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 2paa_1_A DATA FIRST_RESID 4 DATA SEQUENCE AKLTLDKVDL KGKRVIMRVD FNVPMKNNQI TNNQRIKAAI PSIKHCLDNG DATA SEQUENCE AKSVVLMSHL GRPDGIPMPD KYSLEPVADE LKSLLNKDVI FLKDCVGPEV DATA SEQUENCE EQACANPDNG SIILLENLRF HVEEEGKGKD SSGKKISADP AKVEAFRASL DATA SEQUENCE SKLGDVYVND AFGTAHRAHS SMVGVNLPQK ASGFLMKKEL DYFSKALEKP DATA SEQUENCE ERPFLAILGG AKVKDKIQLI KNMLDKVNFM IIGGGMAYTF LKELKNMQIG DATA SEQUENCE ASLFDEEGAT IVKEIMEKAE KNGVKIVFPV DFVTGDKFDE NAKVGQATIE DATA SEQUENCE SGIPSGWMGL DCGPESIKIN AQIVAQAKLI VWNGPIGVFE WDAFAKGTKA DATA SEQUENCE LMDEVVKATS NGCVTIIGGG DTATCCAKWG TEDKVSHVST GGGASLELLE DATA SEQUENCE GKILPGVEAL SNM 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.598 177.584 0.023 0.000 1.274 4 A CA 0.000 52.047 52.037 0.017 0.000 0.836 4 A CB 0.000 19.010 19.000 0.016 0.000 0.831 5 K N 0.237 120.655 120.400 0.031 0.000 2.098 5 K HA 0.546 4.941 4.320 0.125 0.000 0.258 5 K C -0.255 176.364 176.600 0.032 0.000 0.973 5 K CA -0.814 55.494 56.287 0.036 0.000 0.898 5 K CB 1.690 34.218 32.500 0.048 0.000 1.057 5 K HN 0.315 nan 8.250 nan 0.000 0.447 6 L N 1.342 122.584 121.223 0.032 0.000 2.514 6 L HA 0.036 4.451 4.340 0.125 0.000 0.280 6 L C -0.241 176.643 176.870 0.022 0.000 1.223 6 L CA 1.252 56.108 54.840 0.027 0.000 0.864 6 L CB 0.243 42.319 42.059 0.028 0.000 1.118 6 L HN 0.603 nan 8.230 nan 0.000 0.494 7 T N 5.001 119.566 114.554 0.020 0.000 2.924 7 T HA 0.284 4.709 4.350 0.125 0.000 0.291 7 T C 1.180 175.876 174.700 -0.008 0.000 1.045 7 T CA -0.624 61.486 62.100 0.016 0.000 1.015 7 T CB 1.485 70.380 68.868 0.046 0.000 1.103 7 T HN 0.681 nan 8.240 nan 0.000 0.496 8 L N 1.400 122.585 121.223 -0.063 0.000 1.978 8 L HA -0.183 4.232 4.340 0.125 0.000 0.218 8 L C 2.071 178.894 176.870 -0.079 0.000 1.075 8 L CA 2.137 56.881 54.840 -0.160 0.000 0.767 8 L CB -0.264 41.512 42.059 -0.471 0.000 0.890 8 L HN 0.845 nan 8.230 nan 0.000 0.434 9 D N -1.236 119.153 120.400 -0.018 0.000 2.371 9 D HA -0.143 4.572 4.640 0.125 0.000 0.234 9 D C 1.134 177.497 176.300 0.105 0.000 1.049 9 D CA 0.561 54.613 54.000 0.087 0.000 0.907 9 D CB -0.123 40.761 40.800 0.139 0.000 0.891 9 D HN 0.223 nan 8.370 nan 0.000 0.531 10 K N 0.086 120.524 120.400 0.064 0.000 2.413 10 K HA 0.228 4.623 4.320 0.125 0.000 0.204 10 K C -0.253 176.373 176.600 0.045 0.000 1.041 10 K CA -0.263 56.055 56.287 0.052 0.000 1.082 10 K CB 1.764 34.286 32.500 0.037 0.000 0.871 10 K HN 0.077 nan 8.250 nan 0.000 0.535 11 V N 1.134 121.077 119.914 0.049 0.000 2.667 11 V HA 0.220 4.415 4.120 0.125 0.000 0.308 11 V C -0.544 175.579 176.094 0.049 0.000 1.048 11 V CA -1.170 61.153 62.300 0.038 0.000 0.928 11 V CB 2.181 34.017 31.823 0.021 0.000 1.004 11 V HN 0.033 nan 8.190 nan 0.000 0.444 12 D N 2.716 123.137 120.400 0.035 0.000 2.380 12 D HA 0.391 5.106 4.640 0.125 0.000 0.230 12 D C 0.125 176.438 176.300 0.022 0.000 1.154 12 D CA -0.204 53.814 54.000 0.030 0.000 0.859 12 D CB 0.954 41.767 40.800 0.021 0.000 1.045 12 D HN 0.349 nan 8.370 nan 0.000 0.495 13 L N 2.672 123.908 121.223 0.023 0.000 2.783 13 L HA 0.256 4.671 4.340 0.125 0.000 0.236 13 L C 1.284 178.154 176.870 -0.000 0.000 1.225 13 L CA -0.177 54.670 54.840 0.011 0.000 1.026 13 L CB -0.923 41.145 42.059 0.015 0.000 1.314 13 L HN 0.339 nan 8.230 nan 0.000 0.489 14 K N 0.649 121.049 120.400 0.001 0.000 2.363 14 K HA 0.497 4.892 4.320 0.125 0.000 0.289 14 K C 1.320 177.918 176.600 -0.003 0.000 1.063 14 K CA 0.229 56.514 56.287 -0.004 0.000 0.967 14 K CB -0.603 31.896 32.500 -0.002 0.000 0.987 14 K HN 0.525 nan 8.250 nan 0.000 0.473 15 G N 1.591 110.388 108.800 -0.005 0.000 2.179 15 G HA2 -0.245 3.791 3.960 0.125 0.000 0.257 15 G HA3 -0.245 3.791 3.960 0.125 0.000 0.257 15 G C 0.104 175.002 174.900 -0.003 0.000 1.010 15 G CA 0.752 45.850 45.100 -0.004 0.000 0.736 15 G HN 0.734 nan 8.290 nan 0.000 0.513 16 K N -0.452 119.946 120.400 -0.003 0.000 2.267 16 K HA 0.577 4.972 4.320 0.125 0.000 0.246 16 K C 0.424 177.021 176.600 -0.004 0.000 0.954 16 K CA -0.997 55.289 56.287 -0.002 0.000 0.824 16 K CB 1.658 34.158 32.500 0.001 0.000 1.167 16 K HN 0.186 nan 8.250 nan 0.000 0.431 17 R N 0.829 121.327 120.500 -0.004 0.000 2.410 17 R HA 0.342 4.757 4.340 0.125 0.000 0.288 17 R C -0.614 175.683 176.300 -0.007 0.000 1.051 17 R CA -0.615 55.481 56.100 -0.007 0.000 1.021 17 R CB 1.038 31.334 30.300 -0.008 0.000 1.032 17 R HN 0.208 nan 8.270 nan 0.000 0.481 18 V N 4.690 124.596 119.914 -0.014 0.000 2.378 18 V HA 0.242 4.437 4.120 0.125 0.000 0.288 18 V C -0.491 175.588 176.094 -0.026 0.000 1.016 18 V CA -0.848 61.438 62.300 -0.023 0.000 0.840 18 V CB 1.534 33.332 31.823 -0.041 0.000 0.994 18 V HN 0.562 nan 8.190 nan 0.000 0.431 19 I N 6.256 126.823 120.570 -0.006 0.000 2.304 19 I HA 0.527 4.772 4.170 0.125 0.000 0.291 19 I C -0.290 175.799 176.117 -0.045 0.000 1.018 19 I CA 0.021 61.327 61.300 0.009 0.000 1.260 19 I CB 0.800 38.847 38.000 0.079 0.000 1.390 19 I HN 0.748 nan 8.210 nan 0.000 0.475 20 M N 7.498 127.042 119.600 -0.094 0.000 2.243 20 M HA 0.492 5.047 4.480 0.125 0.000 0.324 20 M C -0.907 175.295 176.300 -0.162 0.000 1.031 20 M CA -0.793 54.395 55.300 -0.188 0.000 0.949 20 M CB 0.965 33.461 32.600 -0.174 0.000 1.615 20 M HN 0.496 nan 8.290 nan 0.000 0.430 21 R N 4.420 124.813 120.500 -0.178 0.000 2.202 21 R HA 0.564 4.979 4.340 0.125 0.000 0.334 21 R C -1.348 174.858 176.300 -0.157 0.000 1.036 21 R CA -0.095 55.951 56.100 -0.090 0.000 0.878 21 R CB 0.360 30.694 30.300 0.057 0.000 1.067 21 R HN 0.662 nan 8.270 nan 0.000 0.457 22 V N 0.034 119.796 119.914 -0.254 0.000 3.126 22 V HA 0.507 4.703 4.120 0.125 0.000 0.314 22 V C -0.547 175.352 176.094 -0.325 0.000 1.138 22 V CA -1.219 60.886 62.300 -0.325 0.000 1.034 22 V CB 2.233 33.732 31.823 -0.539 0.000 1.075 22 V HN 0.550 nan 8.190 nan 0.000 0.442 23 D N 0.673 120.964 120.400 -0.182 0.000 2.359 23 D HA 0.408 5.124 4.640 0.125 0.000 0.230 23 D C -0.282 176.113 176.300 0.158 0.000 1.118 23 D CA -0.248 53.721 54.000 -0.051 0.000 0.844 23 D CB 0.370 41.192 40.800 0.037 0.000 1.059 23 D HN 0.579 nan 8.370 nan 0.000 0.493 24 F N 2.220 122.116 119.950 -0.090 0.000 2.775 24 F HA 0.128 4.727 4.527 0.120 0.000 0.313 24 F C 1.052 176.796 175.800 -0.094 0.000 1.121 24 F CA -0.786 57.174 58.000 -0.066 0.000 1.206 24 F CB 0.497 39.475 39.000 -0.036 0.000 1.052 24 F HN 0.234 nan 8.300 nan 0.000 0.524 25 N N 2.668 121.376 118.700 0.013 0.000 2.892 25 N HA 0.043 4.858 4.740 0.125 0.000 0.300 25 N C -0.363 175.161 175.510 0.024 0.000 1.211 25 N CA 0.095 53.120 53.050 -0.042 0.000 1.158 25 N CB -0.146 38.243 38.487 -0.163 0.000 1.455 25 N HN 0.103 nan 8.380 nan 0.000 0.524 26 V N 0.618 120.556 119.914 0.039 0.000 2.607 26 V HA 0.632 4.827 4.120 0.125 0.000 0.289 26 V C -2.045 174.069 176.094 0.033 0.000 1.053 26 V CA -2.068 60.246 62.300 0.024 0.000 0.996 26 V CB 0.892 32.709 31.823 -0.009 0.000 0.995 26 V HN 0.310 nan 8.190 nan 0.000 0.476 27 P HA 0.234 nan 4.420 nan 0.000 0.267 27 P C -0.767 176.547 177.300 0.023 0.000 1.209 27 P CA 0.165 63.285 63.100 0.034 0.000 0.763 27 P CB 0.670 32.385 31.700 0.025 0.000 0.816 28 M N 2.547 122.167 119.600 0.033 0.000 2.238 28 M HA 0.516 5.071 4.480 0.125 0.000 0.278 28 M C -1.188 175.115 176.300 0.006 0.000 1.040 28 M CA -0.385 54.923 55.300 0.014 0.000 0.969 28 M CB 1.905 34.514 32.600 0.014 0.000 1.694 28 M HN 0.213 nan 8.290 nan 0.000 0.472 29 K N 2.850 123.246 120.400 -0.007 0.000 2.358 29 K HA 0.593 4.988 4.320 0.125 0.000 0.260 29 K C -0.184 176.399 176.600 -0.028 0.000 0.956 29 K CA -0.314 55.963 56.287 -0.017 0.000 0.834 29 K CB 0.523 33.019 32.500 -0.007 0.000 1.102 29 K HN 0.943 nan 8.250 nan 0.000 0.431 30 N N 1.950 120.625 118.700 -0.043 0.000 2.740 30 N HA -0.220 4.595 4.740 0.125 0.000 0.248 30 N C -0.573 174.913 175.510 -0.040 0.000 1.062 30 N CA 1.162 54.186 53.050 -0.043 0.000 0.704 30 N CB -1.673 36.795 38.487 -0.032 0.000 0.968 30 N HN 0.991 nan 8.380 nan 0.000 0.547 31 N N -1.872 116.802 118.700 -0.043 0.000 2.740 31 N HA -0.328 4.487 4.740 0.125 0.000 0.248 31 N C 0.618 176.102 175.510 -0.043 0.000 1.062 31 N CA 0.853 53.877 53.050 -0.042 0.000 0.704 31 N CB -0.453 38.008 38.487 -0.045 0.000 0.968 31 N HN 0.676 nan 8.380 nan 0.000 0.547 32 Q N 0.583 120.362 119.800 -0.035 0.000 2.462 32 Q HA 0.278 4.693 4.340 0.125 0.000 0.224 32 Q C -0.119 175.859 176.000 -0.036 0.000 0.911 32 Q CA 0.361 56.143 55.803 -0.034 0.000 0.925 32 Q CB 0.822 29.545 28.738 -0.025 0.000 1.063 32 Q HN 0.466 nan 8.270 nan 0.000 0.572 33 I N 2.219 122.770 120.570 -0.030 0.000 7.754 33 I HA -0.217 4.028 4.170 0.125 0.000 0.126 33 I C 0.130 176.231 176.117 -0.026 0.000 1.845 33 I CA 0.508 61.788 61.300 -0.032 0.000 2.038 33 I CB -0.777 37.190 38.000 -0.055 0.000 3.707 33 I HN 0.409 nan 8.210 nan 0.000 0.169 34 T N 0.284 114.829 114.554 -0.015 0.000 3.163 34 T HA 0.239 4.664 4.350 0.125 0.000 0.252 34 T C 0.388 175.081 174.700 -0.012 0.000 1.056 34 T CA 0.255 62.349 62.100 -0.011 0.000 0.947 34 T CB -0.051 68.815 68.868 -0.003 0.000 1.016 34 T HN 0.631 nan 8.240 nan 0.000 0.554 35 N N 1.366 120.056 118.700 -0.017 0.000 3.193 35 N HA 0.109 4.924 4.740 0.125 0.000 0.234 35 N C -0.108 175.386 175.510 -0.028 0.000 1.267 35 N CA -0.460 52.580 53.050 -0.018 0.000 0.875 35 N CB 0.436 38.917 38.487 -0.010 0.000 1.592 35 N HN 0.382 nan 8.380 nan 0.000 0.648 36 N N 1.791 120.468 118.700 -0.038 0.000 2.449 36 N HA -0.110 4.705 4.740 0.125 0.000 0.191 36 N C 1.201 176.685 175.510 -0.043 0.000 1.161 36 N CA -0.228 52.786 53.050 -0.059 0.000 0.863 36 N CB 0.376 38.822 38.487 -0.067 0.000 0.980 36 N HN 0.584 nan 8.380 nan 0.000 0.458 37 Q N 1.801 121.588 119.800 -0.022 0.000 2.047 37 Q HA -0.233 4.182 4.340 0.125 0.000 0.211 37 Q C 1.830 177.835 176.000 0.008 0.000 1.005 37 Q CA 1.829 57.627 55.803 -0.008 0.000 0.866 37 Q CB -0.022 28.712 28.738 -0.008 0.000 0.938 37 Q HN 0.484 nan 8.270 nan 0.000 0.414 38 R N -0.274 120.238 120.500 0.020 0.000 2.200 38 R HA -0.110 4.305 4.340 0.125 0.000 0.234 38 R C 2.227 178.594 176.300 0.112 0.000 1.127 38 R CA 1.328 57.468 56.100 0.068 0.000 0.989 38 R CB -0.233 30.117 30.300 0.084 0.000 0.869 38 R HN 0.443 nan 8.270 nan 0.000 0.459 39 I N 0.671 121.244 120.570 0.005 0.000 2.406 39 I HA -0.193 4.052 4.170 0.125 0.000 0.249 39 I C 2.003 178.130 176.117 0.016 0.000 1.122 39 I CA 1.029 62.279 61.300 -0.085 0.000 1.431 39 I CB -0.164 37.644 38.000 -0.319 0.000 1.087 39 I HN 0.052 nan 8.210 nan 0.000 0.424 40 K N 1.514 121.917 120.400 0.006 0.000 2.009 40 K HA -0.151 4.244 4.320 0.125 0.000 0.210 40 K C 2.325 178.962 176.600 0.062 0.000 1.049 40 K CA 1.636 57.937 56.287 0.024 0.000 0.929 40 K CB -0.484 32.023 32.500 0.012 0.000 0.714 40 K HN 0.276 nan 8.250 nan 0.000 0.440 41 A N 1.775 124.636 122.820 0.069 0.000 1.997 41 A HA -0.217 4.178 4.320 0.125 0.000 0.221 41 A C 2.338 179.988 177.584 0.110 0.000 1.172 41 A CA 2.183 54.268 52.037 0.081 0.000 0.645 41 A CB -0.669 18.374 19.000 0.072 0.000 0.813 41 A HN 0.412 nan 8.150 nan 0.000 0.454 42 A N -0.825 122.087 122.820 0.153 0.000 2.169 42 A HA 0.232 4.628 4.320 0.125 0.000 0.212 42 A C 1.888 179.548 177.584 0.126 0.000 1.153 42 A CA 0.722 52.848 52.037 0.148 0.000 0.756 42 A CB -0.510 18.628 19.000 0.230 0.000 0.813 42 A HN 0.499 nan 8.150 nan 0.000 0.471 43 I N 0.250 120.895 120.570 0.125 0.000 2.208 43 I HA -0.198 4.047 4.170 0.125 0.000 0.245 43 I C -0.570 175.616 176.117 0.115 0.000 1.097 43 I CA 1.340 62.704 61.300 0.106 0.000 1.363 43 I CB -1.157 36.893 38.000 0.083 0.000 1.051 43 I HN 0.192 nan 8.210 nan 0.000 0.413 44 P HA -0.141 nan 4.420 nan 0.000 0.215 44 P C 1.852 179.286 177.300 0.224 0.000 1.157 44 P CA 1.574 64.824 63.100 0.249 0.000 0.874 44 P CB 0.051 31.946 31.700 0.326 0.000 0.790 45 S N -0.740 114.988 115.700 0.046 0.000 2.359 45 S HA -0.150 4.395 4.470 0.125 0.000 0.224 45 S C 1.885 176.413 174.600 -0.119 0.000 1.035 45 S CA 1.277 59.308 58.200 -0.281 0.000 1.018 45 S CB -1.184 61.850 63.200 -0.278 0.000 0.876 45 S HN 0.105 nan 8.310 nan 0.000 0.448 46 I N 2.116 122.672 120.570 -0.023 0.000 2.179 46 I HA -0.219 4.026 4.170 0.125 0.000 0.242 46 I C 2.927 179.065 176.117 0.035 0.000 1.088 46 I CA 1.658 62.962 61.300 0.006 0.000 1.357 46 I CB -0.733 37.294 38.000 0.045 0.000 1.051 46 I HN 0.311 nan 8.210 nan 0.000 0.409 47 K N 0.423 120.865 120.400 0.069 0.000 2.032 47 K HA -0.295 4.100 4.320 0.125 0.000 0.209 47 K C 1.941 178.593 176.600 0.088 0.000 1.048 47 K CA 2.219 58.553 56.287 0.079 0.000 0.927 47 K CB -1.818 30.743 32.500 0.102 0.000 0.712 47 K HN 0.597 nan 8.250 nan 0.000 0.441 48 H N -0.595 118.496 119.070 0.035 0.000 2.426 48 H HA -0.118 4.514 4.556 0.127 0.000 0.298 48 H C 2.130 177.448 175.328 -0.017 0.000 1.107 48 H CA 2.143 58.215 56.048 0.041 0.000 1.298 48 H CB -0.475 29.306 29.762 0.032 0.000 1.377 48 H HN 0.532 nan 8.280 nan 0.000 0.519 49 C N -0.162 119.172 119.300 0.056 0.000 2.453 49 C HA -0.062 4.473 4.460 0.125 0.000 0.277 49 C C 2.829 177.798 174.990 -0.035 0.000 1.262 49 C CA 0.790 59.812 59.018 0.005 0.000 1.718 49 C CB -1.007 26.729 27.740 -0.007 0.000 2.031 49 C HN 0.560 nan 8.230 nan 0.000 0.480 50 L N 0.917 122.128 121.223 -0.020 0.000 1.994 50 L HA -0.161 4.254 4.340 0.125 0.000 0.208 50 L C 2.160 179.004 176.870 -0.042 0.000 1.071 50 L CA 1.556 56.384 54.840 -0.021 0.000 0.745 50 L CB -0.904 41.153 42.059 -0.002 0.000 0.892 50 L HN 0.325 nan 8.230 nan 0.000 0.431 51 D N -0.090 120.274 120.400 -0.059 0.000 2.351 51 D HA -0.131 4.584 4.640 0.125 0.000 0.216 51 D C 0.951 177.174 176.300 -0.128 0.000 0.968 51 D CA 1.015 54.967 54.000 -0.080 0.000 0.899 51 D CB -0.359 40.397 40.800 -0.073 0.000 0.907 51 D HN 0.370 nan 8.370 nan 0.000 0.514 52 N N -0.801 117.797 118.700 -0.170 0.000 2.273 52 N HA 0.296 5.111 4.740 0.125 0.000 0.231 52 N C 0.727 176.190 175.510 -0.077 0.000 1.134 52 N CA 0.243 53.195 53.050 -0.163 0.000 0.856 52 N CB 1.185 39.506 38.487 -0.276 0.000 1.068 52 N HN 0.066 nan 8.380 nan 0.000 0.510 53 G N -0.330 108.437 108.800 -0.055 0.000 2.136 53 G HA2 -0.255 3.780 3.960 0.125 0.000 0.242 53 G HA3 -0.255 3.780 3.960 0.125 0.000 0.242 53 G C 0.260 175.147 174.900 -0.022 0.000 0.989 53 G CA -0.007 45.075 45.100 -0.031 0.000 0.682 53 G HN 0.551 nan 8.290 nan 0.000 0.522 54 A N 0.040 122.846 122.820 -0.023 0.000 2.520 54 A HA 0.576 4.972 4.320 0.125 0.000 0.245 54 A C 1.416 178.993 177.584 -0.011 0.000 1.072 54 A CA 1.366 53.394 52.037 -0.015 0.000 0.761 54 A CB 0.374 19.366 19.000 -0.015 0.000 1.004 54 A HN 0.654 nan 8.150 nan 0.000 0.499 55 K N 1.218 121.614 120.400 -0.008 0.000 2.097 55 K HA -0.073 4.322 4.320 0.125 0.000 0.206 55 K C 0.493 177.090 176.600 -0.004 0.000 1.049 55 K CA 1.627 57.910 56.287 -0.006 0.000 0.933 55 K CB -0.107 32.390 32.500 -0.005 0.000 0.717 55 K HN 0.961 nan 8.250 nan 0.000 0.442 56 S N -1.797 113.900 115.700 -0.006 0.000 2.611 56 S HA 0.464 5.009 4.470 0.125 0.000 0.268 56 S C -1.218 173.377 174.600 -0.007 0.000 1.156 56 S CA -1.176 57.022 58.200 -0.004 0.000 0.817 56 S CB 2.212 65.410 63.200 -0.003 0.000 1.122 56 S HN -0.143 nan 8.310 nan 0.000 0.466 57 V N 1.311 121.223 119.914 -0.004 0.000 2.524 57 V HA 0.546 4.741 4.120 0.125 0.000 0.297 57 V C -0.932 175.158 176.094 -0.007 0.000 1.035 57 V CA -0.595 61.698 62.300 -0.011 0.000 0.867 57 V CB 1.614 33.432 31.823 -0.008 0.000 1.004 57 V HN 0.839 nan 8.190 nan 0.000 0.426 58 V N 6.570 126.473 119.914 -0.019 0.000 2.350 58 V HA 0.476 4.671 4.120 0.125 0.000 0.276 58 V C -0.112 175.961 176.094 -0.034 0.000 1.028 58 V CA -0.411 61.876 62.300 -0.021 0.000 0.860 58 V CB 1.490 33.296 31.823 -0.029 0.000 0.990 58 V HN 0.636 nan 8.190 nan 0.000 0.453 59 L N 6.717 127.926 121.223 -0.024 0.000 2.295 59 L HA 0.701 5.116 4.340 0.125 0.000 0.285 59 L C -0.027 176.801 176.870 -0.070 0.000 1.035 59 L CA -0.318 54.484 54.840 -0.064 0.000 0.806 59 L CB 1.386 43.428 42.059 -0.028 0.000 1.214 59 L HN 0.694 nan 8.230 nan 0.000 0.426 60 M N 1.793 121.328 119.600 -0.108 0.000 2.530 60 M HA 0.836 5.391 4.480 0.125 0.000 0.307 60 M C -0.750 175.488 176.300 -0.102 0.000 1.161 60 M CA -0.287 54.969 55.300 -0.073 0.000 0.903 60 M CB 2.362 34.937 32.600 -0.041 0.000 1.711 60 M HN 0.504 nan 8.290 nan 0.000 0.451 61 S N -0.093 115.584 115.700 -0.039 0.000 2.714 61 S HA 0.654 5.199 4.470 0.125 0.000 0.280 61 S C -1.988 172.678 174.600 0.110 0.000 1.200 61 S CA -0.652 57.539 58.200 -0.016 0.000 0.900 61 S CB 1.480 64.567 63.200 -0.188 0.000 1.235 61 S HN 1.112 nan 8.310 nan 0.000 0.512 62 H N 0.262 119.344 119.070 0.020 0.000 2.990 62 H HA 0.845 5.470 4.556 0.116 0.000 0.343 62 H C -1.734 173.630 175.328 0.059 0.000 1.270 62 H CA -0.878 55.176 56.048 0.011 0.000 1.118 62 H CB 1.123 30.893 29.762 0.013 0.000 1.861 62 H HN 0.708 nan 8.280 nan 0.000 0.544 63 L N 0.784 122.070 121.223 0.106 0.000 2.661 63 L HA 0.527 4.942 4.340 0.125 0.000 0.263 63 L C 0.045 177.021 176.870 0.176 0.000 0.956 63 L CA 1.317 56.218 54.840 0.102 0.000 0.918 63 L CB 1.150 43.288 42.059 0.131 0.000 1.280 63 L HN 1.410 nan 8.230 nan 0.000 0.416 64 G N 3.654 112.534 108.800 0.134 0.000 2.627 64 G HA2 -0.069 3.966 3.960 0.125 0.000 0.214 64 G HA3 -0.069 3.966 3.960 0.125 0.000 0.214 64 G C -0.931 173.797 174.900 -0.287 0.000 1.331 64 G CA -0.327 44.766 45.100 -0.013 0.000 0.891 64 G HN 0.756 nan 8.290 nan 0.000 0.539 65 R N 0.769 120.880 120.500 -0.648 0.000 2.587 65 R HA 0.305 4.720 4.340 0.125 0.000 0.283 65 R C -2.038 173.955 176.300 -0.513 0.000 1.472 65 R CA -1.087 54.777 56.100 -0.394 0.000 1.578 65 R CB 1.997 32.209 30.300 -0.147 0.000 1.130 65 R HN 0.452 nan 8.270 nan 0.000 0.602 66 P HA -0.001 nan 4.420 nan 0.000 0.240 66 P C -0.615 176.659 177.300 -0.043 0.000 1.190 66 P CA 0.150 63.165 63.100 -0.141 0.000 0.781 66 P CB 0.282 32.088 31.700 0.178 0.000 0.931 67 D N 0.568 120.928 120.400 -0.068 0.000 2.704 67 D HA -0.164 4.551 4.640 0.125 0.000 0.232 67 D C 1.152 177.421 176.300 -0.051 0.000 1.183 67 D CA 1.704 55.667 54.000 -0.062 0.000 0.647 67 D CB -1.993 38.772 40.800 -0.058 0.000 1.013 67 D HN 0.447 nan 8.370 nan 0.000 0.415 68 G N -0.540 108.244 108.800 -0.026 0.000 2.147 68 G HA2 -0.287 3.748 3.960 0.125 0.000 0.244 68 G HA3 -0.287 3.748 3.960 0.125 0.000 0.244 68 G C 0.245 175.111 174.900 -0.056 0.000 1.005 68 G CA 0.226 45.300 45.100 -0.043 0.000 0.713 68 G HN 0.573 nan 8.290 nan 0.000 0.515 69 I N 1.259 121.806 120.570 -0.038 0.000 2.499 69 I HA 0.328 4.573 4.170 0.125 0.000 0.288 69 I C -2.220 173.749 176.117 -0.246 0.000 1.048 69 I CA -2.613 58.620 61.300 -0.112 0.000 1.062 69 I CB 2.796 40.741 38.000 -0.092 0.000 1.238 69 I HN -0.140 nan 8.210 nan 0.000 0.426 70 P HA 0.133 nan 4.420 nan 0.000 0.267 70 P C -0.784 175.975 177.300 -0.902 0.000 1.205 70 P CA -0.007 62.549 63.100 -0.907 0.000 0.765 70 P CB 0.760 32.227 31.700 -0.389 0.000 0.828 71 M N 5.301 124.014 119.600 -1.479 0.000 3.053 71 M HA 0.181 4.736 4.480 0.125 0.000 0.293 71 M C -1.645 174.576 176.300 -0.133 0.000 1.470 71 M CA -1.551 53.474 55.300 -0.458 0.000 0.582 71 M CB 2.043 34.644 32.600 0.000 0.000 1.435 71 M HN 0.171 nan 8.290 nan 0.000 0.451 72 P HA -0.172 nan 4.420 nan 0.000 0.220 72 P C 0.295 177.691 177.300 0.160 0.000 1.144 72 P CA 1.440 64.691 63.100 0.253 0.000 0.800 72 P CB 0.253 32.073 31.700 0.200 0.000 0.772 73 D N -0.067 120.367 120.400 0.056 0.000 2.317 73 D HA -0.060 4.655 4.640 0.125 0.000 0.211 73 D C 1.739 178.012 176.300 -0.045 0.000 0.966 73 D CA 1.058 55.063 54.000 0.008 0.000 0.876 73 D CB 0.046 40.835 40.800 -0.018 0.000 0.927 73 D HN 0.490 nan 8.370 nan 0.000 0.519 74 K N -1.893 118.455 120.400 -0.087 0.000 2.589 74 K HA 0.082 4.477 4.320 0.125 0.000 0.218 74 K C 0.218 176.573 176.600 -0.409 0.000 1.468 74 K CA -0.142 55.959 56.287 -0.310 0.000 1.002 74 K CB 0.271 32.459 32.500 -0.520 0.000 1.200 74 K HN 0.035 nan 8.250 nan 0.000 0.614 75 Y N 1.720 122.162 120.300 0.237 0.000 2.719 75 Y HA 0.317 4.943 4.550 0.126 0.000 0.251 75 Y C 0.381 176.467 175.900 0.311 0.000 1.159 75 Y CA -0.873 57.397 58.100 0.284 0.000 1.166 75 Y CB 1.494 40.187 38.460 0.388 0.000 1.219 75 Y HN -0.002 nan 8.280 nan 0.000 0.551 76 S N 0.466 116.400 115.700 0.390 0.000 2.585 76 S HA 0.194 4.739 4.470 0.125 0.000 0.273 76 S C 0.957 175.652 174.600 0.159 0.000 1.339 76 S CA -0.268 58.124 58.200 0.320 0.000 1.028 76 S CB 0.681 64.040 63.200 0.265 0.000 0.906 76 S HN 0.538 nan 8.310 nan 0.000 0.528 77 L N 2.969 124.308 121.223 0.193 0.000 2.567 77 L HA 0.160 4.575 4.340 0.125 0.000 0.225 77 L C 2.333 179.109 176.870 -0.157 0.000 1.119 77 L CA 0.306 55.234 54.840 0.147 0.000 0.871 77 L CB -0.315 41.954 42.059 0.350 0.000 1.036 77 L HN 0.843 nan 8.230 nan 0.000 0.459 78 E N 1.431 121.244 120.200 -0.645 0.000 2.086 78 E HA -0.257 4.168 4.350 0.125 0.000 0.200 78 E C -0.738 175.552 176.600 -0.517 0.000 1.012 78 E CA 1.812 57.476 56.400 -1.227 0.000 0.812 78 E CB -0.493 28.600 29.700 -1.011 0.000 0.743 78 E HN 0.281 nan 8.360 nan 0.000 0.453 79 P HA -0.133 nan 4.420 nan 0.000 0.219 79 P C 1.217 178.414 177.300 -0.172 0.000 1.146 79 P CA 0.910 63.901 63.100 -0.180 0.000 0.808 79 P CB 0.134 31.765 31.700 -0.115 0.000 0.779 80 V N -0.276 119.530 119.914 -0.179 0.000 2.488 80 V HA -0.130 4.065 4.120 0.125 0.000 0.246 80 V C 2.385 178.355 176.094 -0.207 0.000 1.046 80 V CA 1.857 64.030 62.300 -0.213 0.000 1.053 80 V CB -1.507 30.189 31.823 -0.210 0.000 0.679 80 V HN 0.082 nan 8.190 nan 0.000 0.458 81 A N 1.434 124.166 122.820 -0.148 0.000 1.940 81 A HA -0.246 4.149 4.320 0.125 0.000 0.219 81 A C 1.818 179.365 177.584 -0.062 0.000 1.176 81 A CA 2.143 54.155 52.037 -0.043 0.000 0.631 81 A CB -0.543 18.464 19.000 0.012 0.000 0.814 81 A HN 0.730 nan 8.150 nan 0.000 0.446 82 D N -1.234 119.100 120.400 -0.109 0.000 2.350 82 D HA 0.018 4.733 4.640 0.125 0.000 0.213 82 D C 1.409 177.662 176.300 -0.078 0.000 1.031 82 D CA 0.918 54.873 54.000 -0.075 0.000 0.861 82 D CB -0.179 40.574 40.800 -0.079 0.000 0.926 82 D HN 0.435 nan 8.370 nan 0.000 0.520 83 E N 0.116 120.250 120.200 -0.110 0.000 2.230 83 E HA -0.002 4.423 4.350 0.125 0.000 0.192 83 E C 1.655 178.188 176.600 -0.110 0.000 0.987 83 E CA 0.239 56.573 56.400 -0.110 0.000 0.841 83 E CB -0.241 29.375 29.700 -0.140 0.000 0.783 83 E HN 0.256 nan 8.360 nan 0.000 0.481 84 L N 0.635 121.784 121.223 -0.125 0.000 2.179 84 L HA 0.040 4.455 4.340 0.125 0.000 0.208 84 L C 1.677 178.526 176.870 -0.035 0.000 1.096 84 L CA 1.664 56.447 54.840 -0.096 0.000 0.779 84 L CB -0.261 41.742 42.059 -0.093 0.000 0.922 84 L HN -0.023 nan 8.230 nan 0.000 0.443 85 K N -1.012 119.372 120.400 -0.026 0.000 2.026 85 K HA -0.159 4.237 4.320 0.125 0.000 0.208 85 K C 2.305 178.897 176.600 -0.013 0.000 1.048 85 K CA 1.518 57.800 56.287 -0.008 0.000 0.929 85 K CB -0.498 31.998 32.500 -0.006 0.000 0.713 85 K HN 0.367 nan 8.250 nan 0.000 0.439 86 S N 1.406 117.091 115.700 -0.025 0.000 2.351 86 S HA -0.130 4.415 4.470 0.125 0.000 0.220 86 S C 1.984 176.573 174.600 -0.018 0.000 1.035 86 S CA 1.161 59.347 58.200 -0.022 0.000 1.031 86 S CB -0.348 62.833 63.200 -0.032 0.000 0.928 86 S HN 0.227 nan 8.310 nan 0.000 0.433 87 L N 0.656 121.864 121.223 -0.025 0.000 2.131 87 L HA -0.035 4.380 4.340 0.125 0.000 0.210 87 L C 2.208 179.078 176.870 -0.001 0.000 1.092 87 L CA 1.002 55.832 54.840 -0.016 0.000 0.759 87 L CB -0.441 41.601 42.059 -0.027 0.000 0.903 87 L HN 0.356 nan 8.230 nan 0.000 0.435 88 L N -1.054 120.170 121.223 0.003 0.000 2.554 88 L HA 0.048 4.463 4.340 0.125 0.000 0.225 88 L C 0.865 177.743 176.870 0.012 0.000 1.104 88 L CA 0.071 54.919 54.840 0.014 0.000 0.866 88 L CB -0.239 41.834 42.059 0.023 0.000 1.047 88 L HN 0.446 nan 8.230 nan 0.000 0.468 89 N N 1.541 120.245 118.700 0.006 0.000 2.740 89 N HA -0.232 4.583 4.740 0.125 0.000 0.248 89 N C -0.135 175.381 175.510 0.009 0.000 1.062 89 N CA 0.508 53.562 53.050 0.006 0.000 0.704 89 N CB -0.294 38.197 38.487 0.007 0.000 0.968 89 N HN 0.345 nan 8.380 nan 0.000 0.547 90 K N 0.674 121.081 120.400 0.011 0.000 2.557 90 K HA 0.160 4.555 4.320 0.125 0.000 0.257 90 K C -1.632 174.979 176.600 0.018 0.000 0.933 90 K CA -0.744 55.553 56.287 0.015 0.000 0.820 90 K CB 1.254 33.766 32.500 0.019 0.000 1.330 90 K HN 0.102 nan 8.250 nan 0.000 0.432 91 D N 1.862 122.274 120.400 0.020 0.000 2.414 91 D HA 0.227 4.942 4.640 0.125 0.000 0.242 91 D C -0.970 175.352 176.300 0.038 0.000 1.129 91 D CA 0.094 54.109 54.000 0.025 0.000 0.885 91 D CB 1.034 41.849 40.800 0.024 0.000 1.198 91 D HN 0.178 nan 8.370 nan 0.000 0.437 92 V N 4.212 124.156 119.914 0.049 0.000 2.680 92 V HA 0.380 4.575 4.120 0.125 0.000 0.309 92 V C 0.227 176.379 176.094 0.097 0.000 1.052 92 V CA -0.862 61.482 62.300 0.074 0.000 0.908 92 V CB 1.826 33.703 31.823 0.091 0.000 1.001 92 V HN 0.442 nan 8.190 nan 0.000 0.431 93 I N 4.217 124.847 120.570 0.100 0.000 2.297 93 I HA 0.298 4.543 4.170 0.125 0.000 0.291 93 I C -0.661 175.549 176.117 0.155 0.000 1.033 93 I CA -0.120 61.244 61.300 0.106 0.000 1.253 93 I CB 0.664 38.700 38.000 0.059 0.000 1.396 93 I HN 0.498 nan 8.210 nan 0.000 0.476 94 F N 7.910 127.879 119.950 0.032 0.000 2.411 94 F HA 0.484 5.084 4.527 0.123 0.000 0.350 94 F C -0.525 175.300 175.800 0.041 0.000 1.114 94 F CA -0.452 57.572 58.000 0.040 0.000 1.135 94 F CB 0.611 39.636 39.000 0.041 0.000 1.120 94 F HN 0.207 nan 8.300 nan 0.000 0.495 95 L N 7.231 128.097 121.223 -0.596 0.000 2.309 95 L HA 0.325 4.740 4.340 0.125 0.000 0.282 95 L C 1.098 177.572 176.870 -0.661 0.000 1.036 95 L CA -1.023 53.560 54.840 -0.429 0.000 0.806 95 L CB 1.486 43.388 42.059 -0.262 0.000 1.220 95 L HN 0.554 nan 8.230 nan 0.000 0.429 96 K N 0.716 120.959 120.400 -0.262 0.000 2.515 96 K HA 0.007 4.402 4.320 0.125 0.000 0.196 96 K C 0.000 176.595 176.600 -0.009 0.000 1.038 96 K CA 0.634 56.874 56.287 -0.078 0.000 0.967 96 K CB -0.218 32.326 32.500 0.074 0.000 0.780 96 K HN 0.541 nan 8.250 nan 0.000 0.483 97 D N -1.838 118.521 120.400 -0.069 0.000 2.652 97 D HA 0.138 4.853 4.640 0.125 0.000 0.285 97 D C 0.060 176.314 176.300 -0.077 0.000 1.173 97 D CA -0.589 53.430 54.000 0.032 0.000 0.981 97 D CB 1.352 42.214 40.800 0.104 0.000 1.440 97 D HN 0.025 nan 8.370 nan 0.000 0.485 98 C N -0.111 119.140 119.300 -0.081 0.000 3.228 98 C HA 0.668 5.203 4.460 0.125 0.000 0.290 98 C C 0.450 175.306 174.990 -0.224 0.000 1.301 98 C CA -0.055 58.862 59.018 -0.168 0.000 1.703 98 C CB -1.079 26.556 27.740 -0.174 0.000 2.141 98 C HN 0.353 nan 8.230 nan 0.000 0.656 99 V N -2.450 117.370 119.914 -0.158 0.000 3.202 99 V HA 1.025 5.220 4.120 0.125 0.000 0.306 99 V C -0.011 176.072 176.094 -0.018 0.000 1.283 99 V CA 0.031 62.244 62.300 -0.146 0.000 1.065 99 V CB 0.680 32.388 31.823 -0.192 0.000 1.079 99 V HN 1.721 nan 8.190 nan 0.000 0.448 100 G N 0.564 109.357 108.800 -0.012 0.000 2.541 100 G HA2 0.093 4.128 3.960 0.125 0.000 0.686 100 G HA3 0.093 4.128 3.960 0.125 0.000 0.686 100 G C -2.476 172.422 174.900 -0.003 0.000 1.286 100 G CA -0.010 45.102 45.100 0.020 0.000 0.894 100 G HN 0.735 nan 8.290 nan 0.000 0.575 101 P HA -0.026 nan 4.420 nan 0.000 0.215 101 P C 1.662 178.958 177.300 -0.006 0.000 1.157 101 P CA 1.943 65.042 63.100 -0.001 0.000 0.868 101 P CB 0.078 31.782 31.700 0.007 0.000 0.788 102 E N -0.782 119.418 120.200 -0.001 0.000 2.058 102 E HA -0.135 4.290 4.350 0.125 0.000 0.194 102 E C 1.989 178.577 176.600 -0.020 0.000 0.997 102 E CA 1.078 57.474 56.400 -0.006 0.000 0.801 102 E CB -1.243 28.458 29.700 0.001 0.000 0.746 102 E HN -0.013 nan 8.360 nan 0.000 0.450 103 V N 0.994 120.890 119.914 -0.029 0.000 2.490 103 V HA -0.256 3.939 4.120 0.125 0.000 0.250 103 V C 1.897 177.960 176.094 -0.051 0.000 1.061 103 V CA 1.890 64.159 62.300 -0.052 0.000 1.064 103 V CB -0.431 31.349 31.823 -0.072 0.000 0.670 103 V HN 0.260 nan 8.190 nan 0.000 0.461 104 E N 0.218 120.393 120.200 -0.042 0.000 2.076 104 E HA -0.235 4.190 4.350 0.125 0.000 0.190 104 E C 2.296 178.879 176.600 -0.028 0.000 0.979 104 E CA 1.240 57.616 56.400 -0.040 0.000 0.807 104 E CB -0.069 29.610 29.700 -0.036 0.000 0.761 104 E HN 0.844 nan 8.360 nan 0.000 0.454 105 Q N 0.758 120.545 119.800 -0.021 0.000 2.046 105 Q HA -0.045 4.371 4.340 0.125 0.000 0.200 105 Q C 2.117 178.109 176.000 -0.015 0.000 0.975 105 Q CA 1.532 57.327 55.803 -0.014 0.000 0.836 105 Q CB -0.476 28.256 28.738 -0.009 0.000 0.896 105 Q HN 0.154 nan 8.270 nan 0.000 0.428 106 A N 0.334 123.143 122.820 -0.018 0.000 1.978 106 A HA -0.153 4.242 4.320 0.125 0.000 0.220 106 A C 1.905 179.478 177.584 -0.018 0.000 1.170 106 A CA 1.443 53.470 52.037 -0.017 0.000 0.636 106 A CB -0.754 18.232 19.000 -0.023 0.000 0.810 106 A HN 0.634 nan 8.150 nan 0.000 0.448 107 C N -1.711 117.574 119.300 -0.025 0.000 3.038 107 C HA 0.561 5.096 4.460 0.125 0.000 0.279 107 C C 2.737 177.714 174.990 -0.021 0.000 1.276 107 C CA -0.601 58.402 59.018 -0.025 0.000 1.697 107 C CB -1.015 26.704 27.740 -0.036 0.000 2.032 107 C HN 0.710 nan 8.230 nan 0.000 0.636 108 A N 2.040 124.849 122.820 -0.019 0.000 1.842 108 A HA -0.184 4.211 4.320 0.125 0.000 0.217 108 A C 1.157 178.734 177.584 -0.012 0.000 1.206 108 A CA 2.169 54.196 52.037 -0.016 0.000 0.630 108 A CB -0.381 18.611 19.000 -0.013 0.000 0.839 108 A HN 0.582 nan 8.150 nan 0.000 0.447 109 N N -0.594 118.100 118.700 -0.009 0.000 2.725 109 N HA 0.396 5.211 4.740 0.125 0.000 0.248 109 N C -3.154 172.354 175.510 -0.004 0.000 1.402 109 N CA -1.269 51.777 53.050 -0.006 0.000 0.766 109 N CB 0.747 39.231 38.487 -0.005 0.000 1.223 109 N HN 0.076 nan 8.380 nan 0.000 0.515 110 P HA 0.149 nan 4.420 nan 0.000 0.271 110 P C -0.513 176.787 177.300 0.000 0.000 1.233 110 P CA -0.090 63.009 63.100 -0.001 0.000 0.789 110 P CB 0.592 32.291 31.700 -0.002 0.000 0.951 111 D N 0.517 120.919 120.400 0.003 0.000 2.378 111 D HA -0.010 4.705 4.640 0.125 0.000 0.238 111 D C 0.405 176.707 176.300 0.003 0.000 1.180 111 D CA 0.383 54.385 54.000 0.003 0.000 0.895 111 D CB 0.194 40.997 40.800 0.005 0.000 1.192 111 D HN 0.311 nan 8.370 nan 0.000 0.438 112 N N -0.012 118.689 118.700 0.002 0.000 2.454 112 N HA 0.104 4.919 4.740 0.125 0.000 0.260 112 N C 1.171 176.682 175.510 0.002 0.000 1.218 112 N CA 0.751 53.801 53.050 0.000 0.000 0.904 112 N CB 0.906 39.392 38.487 -0.001 0.000 1.065 112 N HN 0.644 nan 8.380 nan 0.000 0.462 113 G N 1.294 110.095 108.800 0.001 0.000 2.179 113 G HA2 -0.310 3.725 3.960 0.125 0.000 0.260 113 G HA3 -0.310 3.725 3.960 0.125 0.000 0.260 113 G C 0.204 175.110 174.900 0.009 0.000 0.977 113 G CA 0.494 45.596 45.100 0.003 0.000 0.641 113 G HN 0.732 nan 8.290 nan 0.000 0.533 114 S N -0.457 115.249 115.700 0.010 0.000 2.572 114 S HA 0.643 5.188 4.470 0.125 0.000 0.279 114 S C -0.064 174.548 174.600 0.019 0.000 1.341 114 S CA -0.303 57.906 58.200 0.015 0.000 1.043 114 S CB 1.960 65.168 63.200 0.014 0.000 0.887 114 S HN 0.532 nan 8.310 nan 0.000 0.516 115 I N 2.228 122.816 120.570 0.030 0.000 2.389 115 I HA 0.470 4.715 4.170 0.125 0.000 0.288 115 I C -0.447 175.700 176.117 0.051 0.000 0.999 115 I CA -0.417 60.907 61.300 0.041 0.000 1.129 115 I CB 1.250 39.282 38.000 0.054 0.000 1.288 115 I HN 0.665 nan 8.210 nan 0.000 0.444 116 I N 6.809 127.404 120.570 0.042 0.000 2.474 116 I HA 0.465 4.710 4.170 0.125 0.000 0.294 116 I C -1.075 175.073 176.117 0.052 0.000 1.005 116 I CA -0.960 60.365 61.300 0.040 0.000 1.113 116 I CB 1.999 40.001 38.000 0.004 0.000 1.289 116 I HN 0.272 nan 8.210 nan 0.000 0.436 117 L N 7.315 128.587 121.223 0.081 0.000 2.349 117 L HA 0.571 4.986 4.340 0.125 0.000 0.278 117 L C -0.812 176.029 176.870 -0.047 0.000 0.996 117 L CA -0.193 54.715 54.840 0.113 0.000 0.825 117 L CB 1.271 43.515 42.059 0.307 0.000 1.243 117 L HN 0.453 nan 8.230 nan 0.000 0.412 118 L N 2.342 123.511 121.223 -0.089 0.000 2.466 118 L HA 0.424 4.839 4.340 0.125 0.000 0.257 118 L C 0.568 177.301 176.870 -0.229 0.000 1.189 118 L CA -0.631 54.084 54.840 -0.209 0.000 0.813 118 L CB 0.476 42.450 42.059 -0.142 0.000 1.118 118 L HN 0.606 nan 8.230 nan 0.000 0.471 119 E N 1.321 121.334 120.200 -0.313 0.000 2.410 119 E HA -0.058 4.367 4.350 0.125 0.000 0.255 119 E C -0.056 176.452 176.600 -0.153 0.000 1.194 119 E CA -0.262 56.035 56.400 -0.171 0.000 0.955 119 E CB 0.356 30.023 29.700 -0.055 0.000 0.988 119 E HN 0.416 nan 8.360 nan 0.000 0.461 120 N N 2.541 121.030 118.700 -0.352 0.000 2.236 120 N HA -0.128 4.687 4.740 0.125 0.000 0.274 120 N C 0.758 176.088 175.510 -0.300 0.000 1.339 120 N CA 0.428 53.185 53.050 -0.488 0.000 0.845 120 N CB 0.137 37.937 38.487 -1.145 0.000 1.091 120 N HN 0.559 nan 8.380 nan 0.000 0.489 121 L N 3.830 125.021 121.223 -0.054 0.000 2.127 121 L HA -0.140 4.275 4.340 0.125 0.000 0.211 121 L C 1.976 178.913 176.870 0.112 0.000 1.089 121 L CA 1.170 56.050 54.840 0.066 0.000 0.757 121 L CB -0.116 42.011 42.059 0.113 0.000 0.899 121 L HN 0.504 nan 8.230 nan 0.000 0.434 122 R N -0.912 119.628 120.500 0.067 0.000 2.328 122 R HA -0.040 4.375 4.340 0.125 0.000 0.200 122 R C 1.184 177.647 176.300 0.271 0.000 0.983 122 R CA 0.095 56.244 56.100 0.081 0.000 1.062 122 R CB -0.034 30.268 30.300 0.004 0.000 0.956 122 R HN 0.191 nan 8.270 nan 0.000 0.479 123 F N -0.131 119.921 119.950 0.169 0.000 2.802 123 F HA 0.065 4.668 4.527 0.127 0.000 0.300 123 F C 0.190 176.052 175.800 0.104 0.000 1.168 123 F CA 0.145 58.243 58.000 0.163 0.000 1.433 123 F CB -0.360 38.789 39.000 0.249 0.000 1.115 123 F HN -0.019 nan 8.300 nan 0.000 0.582 124 H N -2.067 117.054 119.070 0.084 0.000 2.547 124 H HA 0.275 4.905 4.556 0.125 0.000 0.342 124 H C 0.827 176.010 175.328 -0.242 0.000 1.048 124 H CA -0.601 55.374 56.048 -0.122 0.000 1.204 124 H CB 2.150 31.738 29.762 -0.289 0.000 1.493 124 H HN -0.217 nan 8.280 nan 0.000 0.511 125 V N 2.777 122.597 119.914 -0.157 0.000 2.759 125 V HA -0.167 4.028 4.120 0.125 0.000 0.256 125 V C 1.154 177.093 176.094 -0.258 0.000 1.080 125 V CA 1.858 64.050 62.300 -0.179 0.000 1.101 125 V CB -0.104 31.634 31.823 -0.142 0.000 0.698 125 V HN 0.718 nan 8.190 nan 0.000 0.477 126 E N 0.079 120.048 120.200 -0.385 0.000 2.204 126 E HA -0.202 4.223 4.350 0.125 0.000 0.194 126 E C 1.958 178.261 176.600 -0.495 0.000 0.989 126 E CA 1.205 57.316 56.400 -0.482 0.000 0.824 126 E CB -0.179 29.099 29.700 -0.703 0.000 0.756 126 E HN 0.766 nan 8.360 nan 0.000 0.477 127 E N 1.518 121.379 120.200 -0.564 0.000 2.007 127 E HA -0.216 4.209 4.350 0.125 0.000 0.194 127 E C 1.511 177.925 176.600 -0.311 0.000 0.999 127 E CA 1.806 58.053 56.400 -0.254 0.000 0.811 127 E CB -0.112 29.512 29.700 -0.127 0.000 0.762 127 E HN 0.325 nan 8.360 nan 0.000 0.450 128 E N -1.239 118.675 120.200 -0.478 0.000 2.285 128 E HA 0.076 4.501 4.350 0.125 0.000 0.194 128 E C 1.054 177.386 176.600 -0.448 0.000 0.997 128 E CA 0.486 56.377 56.400 -0.847 0.000 0.845 128 E CB 0.071 29.377 29.700 -0.657 0.000 0.782 128 E HN 0.521 nan 8.360 nan 0.000 0.491 129 G N 1.993 110.629 108.800 -0.274 0.000 2.157 129 G HA2 -0.309 3.726 3.960 0.125 0.000 0.248 129 G HA3 -0.309 3.726 3.960 0.125 0.000 0.248 129 G C 0.133 174.951 174.900 -0.136 0.000 0.979 129 G CA 0.836 45.839 45.100 -0.163 0.000 0.650 129 G HN 0.365 nan 8.290 nan 0.000 0.529 130 K N -1.773 118.531 120.400 -0.160 0.000 2.578 130 K HA 0.822 5.218 4.320 0.125 0.000 0.287 130 K C 0.086 176.613 176.600 -0.122 0.000 1.010 130 K CA -0.535 55.681 56.287 -0.118 0.000 0.889 130 K CB 1.361 33.804 32.500 -0.095 0.000 1.514 130 K HN 1.375 nan 8.250 nan 0.000 0.424 131 G N 0.247 108.992 108.800 -0.091 0.000 2.500 131 G HA2 0.480 4.516 3.960 0.125 0.000 0.299 131 G HA3 0.480 4.516 3.960 0.125 0.000 0.299 131 G C -1.863 173.001 174.900 -0.060 0.000 1.242 131 G CA -0.958 44.093 45.100 -0.082 0.000 0.859 131 G HN 0.426 nan 8.290 nan 0.000 0.481 132 K N 0.878 121.246 120.400 -0.054 0.000 2.535 132 K HA 0.345 4.740 4.320 0.125 0.000 0.251 132 K C -1.100 175.476 176.600 -0.040 0.000 0.942 132 K CA -0.851 55.411 56.287 -0.040 0.000 0.798 132 K CB 2.683 35.164 32.500 -0.031 0.000 1.267 132 K HN 0.768 nan 8.250 nan 0.000 0.434 133 D N 0.472 120.851 120.400 -0.036 0.000 2.453 133 D HA -0.012 4.703 4.640 0.125 0.000 0.282 133 D C 0.918 177.201 176.300 -0.028 0.000 1.222 133 D CA -0.265 53.714 54.000 -0.036 0.000 1.079 133 D CB 0.202 40.981 40.800 -0.034 0.000 1.128 133 D HN 0.404 nan 8.370 nan 0.000 0.568 134 S N -1.493 114.191 115.700 -0.027 0.000 2.537 134 S HA -0.083 4.463 4.470 0.125 0.000 0.240 134 S C 1.072 175.664 174.600 -0.014 0.000 0.981 134 S CA 0.466 58.653 58.200 -0.021 0.000 0.948 134 S CB -0.391 62.796 63.200 -0.022 0.000 0.759 134 S HN 0.365 nan 8.310 nan 0.000 0.531 135 S N 0.114 115.806 115.700 -0.014 0.000 2.741 135 S HA 0.567 5.112 4.470 0.125 0.000 0.247 135 S C 1.192 175.787 174.600 -0.008 0.000 1.050 135 S CA -0.181 58.014 58.200 -0.009 0.000 1.025 135 S CB 0.451 63.645 63.200 -0.010 0.000 0.897 135 S HN 0.890 nan 8.310 nan 0.000 0.508 136 G N 2.180 110.974 108.800 -0.009 0.000 2.189 136 G HA2 -0.313 3.723 3.960 0.125 0.000 0.267 136 G HA3 -0.313 3.723 3.960 0.125 0.000 0.267 136 G C 0.022 174.915 174.900 -0.013 0.000 0.975 136 G CA 0.337 45.432 45.100 -0.008 0.000 0.644 136 G HN 0.499 nan 8.290 nan 0.000 0.537 137 K N 0.960 121.351 120.400 -0.016 0.000 2.298 137 K HA 0.338 4.733 4.320 0.125 0.000 0.280 137 K C 0.624 177.210 176.600 -0.024 0.000 1.032 137 K CA -0.267 56.010 56.287 -0.018 0.000 0.958 137 K CB 0.703 33.193 32.500 -0.018 0.000 0.978 137 K HN 0.210 nan 8.250 nan 0.000 0.472 138 K N 3.414 123.799 120.400 -0.025 0.000 2.451 138 K HA 0.103 4.498 4.320 0.125 0.000 0.280 138 K C 0.282 176.861 176.600 -0.035 0.000 1.020 138 K CA 0.156 56.424 56.287 -0.031 0.000 1.008 138 K CB 0.125 32.607 32.500 -0.029 0.000 0.917 138 K HN 0.508 nan 8.250 nan 0.000 0.478 139 I N -1.948 118.596 120.570 -0.043 0.000 3.002 139 I HA 0.483 4.728 4.170 0.125 0.000 0.310 139 I C -0.619 175.465 176.117 -0.054 0.000 1.087 139 I CA -0.861 60.411 61.300 -0.046 0.000 1.017 139 I CB 2.407 40.377 38.000 -0.049 0.000 1.226 139 I HN 0.219 nan 8.210 nan 0.000 0.443 140 S N 2.106 117.775 115.700 -0.052 0.000 2.482 140 S HA 0.758 5.303 4.470 0.125 0.000 0.303 140 S C -0.087 174.475 174.600 -0.063 0.000 1.091 140 S CA -0.672 57.494 58.200 -0.056 0.000 1.057 140 S CB 1.743 64.917 63.200 -0.044 0.000 1.031 140 S HN 0.910 nan 8.310 nan 0.000 0.485 141 A N 1.857 124.632 122.820 -0.076 0.000 2.407 141 A HA 0.366 4.761 4.320 0.125 0.000 0.248 141 A C 0.036 177.585 177.584 -0.058 0.000 1.082 141 A CA -0.325 51.662 52.037 -0.082 0.000 0.785 141 A CB 0.088 19.021 19.000 -0.111 0.000 1.020 141 A HN 0.723 nan 8.150 nan 0.000 0.489 142 D N 2.106 122.476 120.400 -0.050 0.000 2.325 142 D HA 0.279 4.994 4.640 0.125 0.000 0.251 142 D C -1.712 174.572 176.300 -0.025 0.000 1.196 142 D CA -1.907 52.074 54.000 -0.033 0.000 0.866 142 D CB 1.116 41.901 40.800 -0.025 0.000 1.101 142 D HN 0.109 nan 8.370 nan 0.000 0.476 143 P HA -0.163 nan 4.420 nan 0.000 0.219 143 P C 0.655 177.954 177.300 -0.002 0.000 1.144 143 P CA 1.377 64.469 63.100 -0.013 0.000 0.806 143 P CB 0.293 31.986 31.700 -0.012 0.000 0.771 144 A N -0.910 121.909 122.820 -0.001 0.000 1.975 144 A HA -0.057 4.339 4.320 0.125 0.000 0.215 144 A C 2.081 179.676 177.584 0.019 0.000 1.170 144 A CA 1.019 53.060 52.037 0.007 0.000 0.656 144 A CB -0.546 18.456 19.000 0.004 0.000 0.821 144 A HN 0.093 nan 8.150 nan 0.000 0.449 145 K N -0.280 120.128 120.400 0.014 0.000 2.228 145 K HA 0.038 4.433 4.320 0.125 0.000 0.202 145 K C 1.774 178.408 176.600 0.056 0.000 1.051 145 K CA 0.902 57.208 56.287 0.032 0.000 0.960 145 K CB -0.106 32.399 32.500 0.009 0.000 0.743 145 K HN 0.275 nan 8.250 nan 0.000 0.458 146 V N 2.023 121.952 119.914 0.025 0.000 2.295 146 V HA -0.220 3.975 4.120 0.125 0.000 0.246 146 V C 2.015 178.177 176.094 0.112 0.000 1.049 146 V CA 1.744 64.068 62.300 0.039 0.000 1.024 146 V CB -0.264 31.557 31.823 -0.002 0.000 0.648 146 V HN 0.289 nan 8.190 nan 0.000 0.447 147 E N -0.068 120.173 120.200 0.068 0.000 2.347 147 E HA -0.048 4.378 4.350 0.125 0.000 0.196 147 E C 2.183 178.822 176.600 0.065 0.000 1.008 147 E CA 1.147 57.581 56.400 0.057 0.000 0.852 147 E CB -0.218 29.498 29.700 0.027 0.000 0.783 147 E HN 0.599 nan 8.360 nan 0.000 0.505 148 A N 0.338 123.210 122.820 0.087 0.000 1.975 148 A HA -0.064 4.331 4.320 0.125 0.000 0.215 148 A C 1.935 179.590 177.584 0.119 0.000 1.170 148 A CA 0.384 52.469 52.037 0.080 0.000 0.656 148 A CB -0.510 18.536 19.000 0.077 0.000 0.821 148 A HN 0.235 nan 8.150 nan 0.000 0.449 149 F N 1.067 121.014 119.950 -0.005 0.000 2.113 149 F HA -0.110 4.490 4.527 0.122 0.000 0.297 149 F C 2.334 178.113 175.800 -0.035 0.000 1.103 149 F CA 1.721 59.715 58.000 -0.011 0.000 1.248 149 F CB -0.168 38.832 39.000 0.001 0.000 0.999 149 F HN 0.097 nan 8.300 nan 0.000 0.475 150 R N 0.084 120.642 120.500 0.096 0.000 2.148 150 R HA -0.050 4.365 4.340 0.125 0.000 0.227 150 R C 2.318 178.559 176.300 -0.099 0.000 1.103 150 R CA 0.975 57.049 56.100 -0.043 0.000 0.983 150 R CB -0.729 29.585 30.300 0.024 0.000 0.874 150 R HN 0.378 nan 8.270 nan 0.000 0.451 151 A N 0.383 123.169 122.820 -0.056 0.000 2.014 151 A HA -0.111 4.285 4.320 0.125 0.000 0.218 151 A C 2.163 179.694 177.584 -0.089 0.000 1.163 151 A CA 1.445 53.447 52.037 -0.058 0.000 0.652 151 A CB -0.287 18.698 19.000 -0.026 0.000 0.808 151 A HN 0.273 nan 8.150 nan 0.000 0.449 152 S N -0.307 115.318 115.700 -0.125 0.000 2.357 152 S HA -0.054 4.491 4.470 0.125 0.000 0.221 152 S C 1.951 176.429 174.600 -0.203 0.000 1.031 152 S CA 1.214 59.322 58.200 -0.153 0.000 0.982 152 S CB -0.464 62.629 63.200 -0.178 0.000 0.853 152 S HN 0.488 nan 8.310 nan 0.000 0.458 153 L N 1.225 122.264 121.223 -0.307 0.000 2.079 153 L HA -0.089 4.326 4.340 0.125 0.000 0.210 153 L C 2.764 179.536 176.870 -0.163 0.000 1.081 153 L CA 1.408 56.078 54.840 -0.283 0.000 0.752 153 L CB -0.643 41.199 42.059 -0.362 0.000 0.896 153 L HN 0.327 nan 8.230 nan 0.000 0.433 154 S N -0.241 115.374 115.700 -0.142 0.000 2.382 154 S HA -0.178 4.367 4.470 0.125 0.000 0.228 154 S C 1.873 176.433 174.600 -0.067 0.000 1.027 154 S CA 1.207 59.349 58.200 -0.097 0.000 0.991 154 S CB -0.137 63.008 63.200 -0.092 0.000 0.823 154 S HN 0.391 nan 8.310 nan 0.000 0.469 155 K N 1.292 121.649 120.400 -0.072 0.000 2.103 155 K HA -0.004 4.391 4.320 0.125 0.000 0.207 155 K C 1.676 178.248 176.600 -0.047 0.000 1.048 155 K CA 0.935 57.190 56.287 -0.053 0.000 0.930 155 K CB -0.488 31.980 32.500 -0.053 0.000 0.716 155 K HN 0.338 nan 8.250 nan 0.000 0.444 156 L N 0.461 121.648 121.223 -0.060 0.000 2.551 156 L HA -0.096 4.319 4.340 0.125 0.000 0.230 156 L C 1.131 177.983 176.870 -0.030 0.000 1.163 156 L CA 0.363 55.173 54.840 -0.051 0.000 0.826 156 L CB -0.678 41.338 42.059 -0.071 0.000 0.943 156 L HN 0.208 nan 8.230 nan 0.000 0.452 157 G N -1.816 106.973 108.800 -0.018 0.000 2.682 157 G HA2 0.343 4.378 3.960 0.125 0.000 0.290 157 G HA3 0.343 4.378 3.960 0.125 0.000 0.290 157 G C -0.716 174.187 174.900 0.004 0.000 1.425 157 G CA -0.383 44.716 45.100 -0.001 0.000 0.807 157 G HN -0.120 nan 8.290 nan 0.000 0.482 158 D N -1.197 119.208 120.400 0.009 0.000 2.454 158 D HA 0.187 4.902 4.640 0.125 0.000 0.214 158 D C 0.329 176.643 176.300 0.024 0.000 1.088 158 D CA 0.575 54.581 54.000 0.011 0.000 0.855 158 D CB 1.927 42.730 40.800 0.005 0.000 1.025 158 D HN 0.125 nan 8.370 nan 0.000 0.502 159 V N 1.126 121.060 119.914 0.033 0.000 2.760 159 V HA 0.242 4.437 4.120 0.125 0.000 0.309 159 V C -1.423 174.719 176.094 0.080 0.000 1.077 159 V CA -1.077 61.251 62.300 0.046 0.000 0.910 159 V CB 2.717 34.549 31.823 0.015 0.000 1.008 159 V HN 0.023 nan 8.190 nan 0.000 0.424 160 Y N 4.581 124.863 120.300 -0.029 0.000 2.341 160 Y HA 0.785 5.409 4.550 0.122 0.000 0.337 160 Y C -0.791 175.088 175.900 -0.036 0.000 1.014 160 Y CA -0.680 57.399 58.100 -0.035 0.000 1.111 160 Y CB 1.835 40.277 38.460 -0.031 0.000 1.194 160 Y HN 0.377 nan 8.280 nan 0.000 0.462 161 V N 6.332 125.784 119.914 -0.770 0.000 2.531 161 V HA 0.305 4.501 4.120 0.125 0.000 0.301 161 V C -0.970 174.589 176.094 -0.892 0.000 1.034 161 V CA -0.990 60.910 62.300 -0.667 0.000 0.865 161 V CB 1.670 33.283 31.823 -0.350 0.000 0.995 161 V HN 0.789 nan 8.190 nan 0.000 0.424 162 N N 2.801 121.108 118.700 -0.655 0.000 2.469 162 N HA 0.358 5.174 4.740 0.125 0.000 0.253 162 N C -0.847 174.568 175.510 -0.158 0.000 0.970 162 N CA -0.264 52.573 53.050 -0.355 0.000 0.940 162 N CB 1.524 39.953 38.487 -0.097 0.000 1.128 162 N HN 0.728 nan 8.380 nan 0.000 0.503 163 D N 2.164 122.489 120.400 -0.125 0.000 2.945 163 D HA 0.409 5.124 4.640 0.125 0.000 0.366 163 D C -1.151 175.147 176.300 -0.003 0.000 1.352 163 D CA -0.222 53.745 54.000 -0.055 0.000 0.810 163 D CB 0.082 40.823 40.800 -0.098 0.000 1.170 163 D HN 0.474 nan 8.370 nan 0.000 0.461 164 A N 0.773 123.619 122.820 0.042 0.000 3.317 164 A HA 0.208 4.603 4.320 0.125 0.000 0.307 164 A C 0.559 178.225 177.584 0.137 0.000 1.003 164 A CA -0.601 51.480 52.037 0.075 0.000 0.882 164 A CB -0.733 18.290 19.000 0.038 0.000 1.136 164 A HN 0.300 nan 8.150 nan 0.000 0.488 165 F N 1.529 121.498 119.950 0.032 0.000 2.154 165 F HA -0.112 4.366 4.527 -0.081 0.000 0.301 165 F C 1.985 177.796 175.800 0.019 0.000 1.087 165 F CA 2.578 60.600 58.000 0.036 0.000 1.274 165 F CB -0.160 38.873 39.000 0.055 0.000 1.009 165 F HN 0.429 nan 8.300 nan 0.000 0.485 166 G N -1.406 107.407 108.800 0.021 0.000 2.537 166 G HA2 -0.233 3.802 3.960 0.125 0.000 0.220 166 G HA3 -0.233 3.802 3.960 0.125 0.000 0.220 166 G C 1.090 175.935 174.900 -0.092 0.000 1.111 166 G CA 1.377 46.417 45.100 -0.100 0.000 0.748 166 G HN 0.522 nan 8.290 nan 0.000 0.564 167 T N -4.371 110.174 114.554 -0.015 0.000 3.337 167 T HA 0.603 5.028 4.350 0.125 0.000 0.299 167 T C 1.474 176.169 174.700 -0.008 0.000 0.998 167 T CA 0.675 62.821 62.100 0.076 0.000 0.948 167 T CB 0.859 69.783 68.868 0.094 0.000 1.170 167 T HN 0.199 nan 8.240 nan 0.000 0.508 168 A N 1.725 124.501 122.820 -0.074 0.000 2.238 168 A HA 0.172 4.567 4.320 0.125 0.000 0.208 168 A C 1.623 179.167 177.584 -0.067 0.000 1.177 168 A CA 0.760 52.744 52.037 -0.089 0.000 0.804 168 A CB -0.988 17.945 19.000 -0.113 0.000 0.823 168 A HN 0.947 nan 8.150 nan 0.000 0.482 169 H N -2.428 116.469 119.070 -0.288 0.000 2.551 169 H HA 0.404 5.089 4.556 0.216 0.000 0.271 169 H C 0.264 175.461 175.328 -0.217 0.000 0.984 169 H CA -0.356 55.554 56.048 -0.231 0.000 1.164 169 H CB 0.118 29.738 29.762 -0.236 0.000 1.437 169 H HN 0.211 nan 8.280 nan 0.000 0.550 170 R N 1.218 121.458 120.500 -0.434 0.000 2.409 170 R HA 0.463 4.878 4.340 0.125 0.000 0.313 170 R C -0.759 175.252 176.300 -0.483 0.000 0.953 170 R CA -0.585 55.147 56.100 -0.613 0.000 0.849 170 R CB 1.846 31.534 30.300 -1.020 0.000 1.171 170 R HN 0.276 nan 8.270 nan 0.000 0.458 171 A N 4.042 126.722 122.820 -0.232 0.000 3.046 171 A HA 0.066 4.461 4.320 0.125 0.000 0.259 171 A C -0.212 177.414 177.584 0.069 0.000 1.843 171 A CA -0.062 51.928 52.037 -0.077 0.000 1.451 171 A CB -0.685 18.295 19.000 -0.034 0.000 1.025 171 A HN 0.569 nan 8.150 nan 0.000 0.625 172 H N -0.230 118.809 119.070 -0.051 0.000 2.544 172 H HA 0.284 4.919 4.556 0.132 0.000 0.365 172 H C 1.591 176.917 175.328 -0.004 0.000 1.268 172 H CA -0.597 55.428 56.048 -0.040 0.000 1.400 172 H CB 0.574 30.303 29.762 -0.056 0.000 1.538 172 H HN 0.375 nan 8.280 nan 0.000 0.597 173 S N 0.533 116.332 115.700 0.164 0.000 2.359 173 S HA -0.217 4.328 4.470 0.125 0.000 0.222 173 S C 2.214 176.874 174.600 0.099 0.000 1.038 173 S CA 1.966 60.258 58.200 0.155 0.000 1.051 173 S CB -0.404 62.993 63.200 0.329 0.000 0.944 173 S HN 0.778 nan 8.310 nan 0.000 0.433 174 S N 0.675 116.458 115.700 0.139 0.000 2.419 174 S HA -0.077 4.468 4.470 0.125 0.000 0.235 174 S C 1.745 176.401 174.600 0.094 0.000 1.019 174 S CA 1.288 59.547 58.200 0.098 0.000 0.982 174 S CB -0.328 62.956 63.200 0.140 0.000 0.789 174 S HN 0.299 nan 8.310 nan 0.000 0.490 175 M N 1.415 121.070 119.600 0.092 0.000 2.325 175 M HA 0.189 4.744 4.480 0.125 0.000 0.265 175 M C 1.749 178.054 176.300 0.008 0.000 1.094 175 M CA 1.067 56.416 55.300 0.081 0.000 1.161 175 M CB 0.233 32.852 32.600 0.033 0.000 1.358 175 M HN 0.379 nan 8.290 nan 0.000 0.446 176 V N -4.452 115.447 119.914 -0.026 0.000 3.432 176 V HA 0.524 4.719 4.120 0.125 0.000 0.298 176 V C 1.340 177.379 176.094 -0.093 0.000 1.464 176 V CA 0.566 62.832 62.300 -0.056 0.000 1.046 176 V CB -0.529 31.279 31.823 -0.024 0.000 0.887 176 V HN 0.329 nan 8.190 nan 0.000 0.441 177 G N 0.412 109.150 108.800 -0.103 0.000 2.986 177 G HA2 0.217 4.252 3.960 0.125 0.000 0.213 177 G HA3 0.217 4.252 3.960 0.125 0.000 0.213 177 G C 0.464 175.260 174.900 -0.174 0.000 1.156 177 G CA 0.282 45.322 45.100 -0.099 0.000 0.763 177 G HN 0.362 nan 8.290 nan 0.000 0.547 178 V N 1.946 121.660 119.914 -0.334 0.000 2.415 178 V HA 0.106 4.301 4.120 0.125 0.000 0.267 178 V C -0.061 175.862 176.094 -0.284 0.000 1.042 178 V CA -0.581 61.496 62.300 -0.372 0.000 1.000 178 V CB 0.639 32.056 31.823 -0.676 0.000 1.015 178 V HN 0.281 nan 8.190 nan 0.000 0.478 179 N N 6.460 125.064 118.700 -0.160 0.000 2.521 179 N HA 0.481 5.296 4.740 0.125 0.000 0.236 179 N C -0.979 174.491 175.510 -0.068 0.000 1.067 179 N CA -0.016 52.973 53.050 -0.101 0.000 0.939 179 N CB 0.168 38.614 38.487 -0.069 0.000 1.201 179 N HN 0.644 nan 8.380 nan 0.000 0.511 180 L N 3.588 124.781 121.223 -0.049 0.000 2.350 180 L HA 0.533 4.948 4.340 0.125 0.000 0.260 180 L C -1.385 175.490 176.870 0.008 0.000 1.015 180 L CA -2.025 52.811 54.840 -0.007 0.000 0.821 180 L CB 2.131 44.208 42.059 0.030 0.000 1.370 180 L HN 0.312 nan 8.230 nan 0.000 0.416 181 P HA -0.099 nan 4.420 nan 0.000 0.215 181 P C -0.516 176.801 177.300 0.029 0.000 1.153 181 P CA 1.239 64.349 63.100 0.016 0.000 0.853 181 P CB 0.271 31.979 31.700 0.013 0.000 0.788 182 Q N -0.198 119.628 119.800 0.043 0.000 2.341 182 Q HA 0.367 4.782 4.340 0.125 0.000 0.268 182 Q C -0.663 175.397 176.000 0.101 0.000 1.013 182 Q CA -0.427 55.409 55.803 0.056 0.000 0.798 182 Q CB 1.802 30.564 28.738 0.039 0.000 1.253 182 Q HN 0.021 nan 8.270 nan 0.000 0.457 183 K N 1.618 122.095 120.400 0.129 0.000 2.394 183 K HA 0.705 5.100 4.320 0.125 0.000 0.260 183 K C -1.092 175.590 176.600 0.137 0.000 0.967 183 K CA -0.267 56.176 56.287 0.260 0.000 0.855 183 K CB 1.746 34.428 32.500 0.304 0.000 1.101 183 K HN 0.571 nan 8.250 nan 0.000 0.433 184 A N 1.382 124.222 122.820 0.032 0.000 2.386 184 A HA 0.657 5.052 4.320 0.125 0.000 0.308 184 A C -0.509 177.029 177.584 -0.078 0.000 1.128 184 A CA -0.808 51.219 52.037 -0.017 0.000 0.789 184 A CB 1.217 20.198 19.000 -0.032 0.000 1.325 184 A HN 0.644 nan 8.150 nan 0.000 0.437 185 S N 0.362 116.041 115.700 -0.036 0.000 2.565 185 S HA 0.595 5.140 4.470 0.125 0.000 0.274 185 S C 0.613 175.168 174.600 -0.075 0.000 1.309 185 S CA 0.010 58.192 58.200 -0.031 0.000 1.043 185 S CB 0.960 64.177 63.200 0.029 0.000 0.939 185 S HN 1.507 nan 8.310 nan 0.000 0.504 186 G N 0.905 109.649 108.800 -0.093 0.000 2.516 186 G HA2 0.405 4.440 3.960 0.125 0.000 0.276 186 G HA3 0.405 4.440 3.960 0.125 0.000 0.276 186 G C 0.324 175.223 174.900 -0.001 0.000 1.390 186 G CA -0.945 44.060 45.100 -0.159 0.000 1.050 186 G HN 0.766 nan 8.290 nan 0.000 0.519 187 F N -1.088 118.821 119.950 -0.069 0.000 2.206 187 F HA 0.029 4.627 4.527 0.119 0.000 0.298 187 F C 2.584 178.363 175.800 -0.035 0.000 1.090 187 F CA 0.135 58.098 58.000 -0.061 0.000 1.323 187 F CB 0.048 39.012 39.000 -0.060 0.000 1.028 187 F HN 0.109 nan 8.300 nan 0.000 0.492 188 L N -0.591 120.731 121.223 0.166 0.000 2.044 188 L HA -0.226 4.189 4.340 0.125 0.000 0.205 188 L C 2.471 179.377 176.870 0.060 0.000 1.075 188 L CA 0.999 55.897 54.840 0.097 0.000 0.747 188 L CB -0.485 41.625 42.059 0.086 0.000 0.903 188 L HN 0.222 nan 8.230 nan 0.000 0.435 189 M N 0.745 120.390 119.600 0.075 0.000 2.065 189 M HA -0.266 4.289 4.480 0.125 0.000 0.259 189 M C 2.174 178.496 176.300 0.037 0.000 1.069 189 M CA 1.999 57.350 55.300 0.086 0.000 1.110 189 M CB -0.321 32.343 32.600 0.107 0.000 1.328 189 M HN -0.111 nan 8.290 nan 0.000 0.405 190 K N 0.411 120.844 120.400 0.055 0.000 2.074 190 K HA -0.217 4.178 4.320 0.125 0.000 0.209 190 K C 2.095 178.693 176.600 -0.002 0.000 1.048 190 K CA 2.093 58.407 56.287 0.045 0.000 0.926 190 K CB -0.520 32.033 32.500 0.089 0.000 0.713 190 K HN 0.535 nan 8.250 nan 0.000 0.444 191 K N 0.048 120.434 120.400 -0.023 0.000 2.057 191 K HA -0.133 4.262 4.320 0.125 0.000 0.206 191 K C 1.761 178.184 176.600 -0.295 0.000 1.050 191 K CA 1.433 57.657 56.287 -0.105 0.000 0.935 191 K CB -0.019 32.433 32.500 -0.081 0.000 0.715 191 K HN 0.174 nan 8.250 nan 0.000 0.439 192 E N 0.949 120.992 120.200 -0.261 0.000 2.058 192 E HA -0.213 4.212 4.350 0.125 0.000 0.194 192 E C 2.168 178.668 176.600 -0.166 0.000 0.997 192 E CA 1.158 57.333 56.400 -0.375 0.000 0.801 192 E CB -0.240 28.946 29.700 -0.856 0.000 0.746 192 E HN 0.363 nan 8.360 nan 0.000 0.450 193 L N 1.063 122.246 121.223 -0.067 0.000 2.027 193 L HA -0.178 4.237 4.340 0.125 0.000 0.206 193 L C 2.188 179.073 176.870 0.025 0.000 1.074 193 L CA 1.061 55.935 54.840 0.057 0.000 0.745 193 L CB -0.496 41.606 42.059 0.071 0.000 0.898 193 L HN -0.028 nan 8.230 nan 0.000 0.433 194 D N -0.437 119.952 120.400 -0.018 0.000 2.133 194 D HA -0.233 4.482 4.640 0.125 0.000 0.192 194 D C 2.057 178.295 176.300 -0.103 0.000 1.001 194 D CA 1.741 55.715 54.000 -0.043 0.000 0.844 194 D CB -0.233 40.556 40.800 -0.018 0.000 0.944 194 D HN 0.282 nan 8.370 nan 0.000 0.447 195 Y N -0.695 119.386 120.300 -0.366 0.000 2.206 195 Y HA 0.028 4.658 4.550 0.134 0.000 0.292 195 Y C 2.257 177.935 175.900 -0.370 0.000 1.123 195 Y CA 0.486 58.318 58.100 -0.446 0.000 1.142 195 Y CB -0.727 37.296 38.460 -0.728 0.000 1.006 195 Y HN -0.033 nan 8.280 nan 0.000 0.518 196 F N -0.812 119.145 119.950 0.012 0.000 2.365 196 F HA -0.210 4.376 4.527 0.099 0.000 0.300 196 F C 2.658 178.459 175.800 0.001 0.000 1.090 196 F CA 1.163 59.180 58.000 0.027 0.000 1.408 196 F CB -0.358 38.672 39.000 0.049 0.000 1.060 196 F HN 0.043 nan 8.300 nan 0.000 0.534 197 S N 0.937 116.702 115.700 0.109 0.000 2.383 197 S HA -0.202 4.343 4.470 0.125 0.000 0.227 197 S C 2.391 176.974 174.600 -0.028 0.000 1.026 197 S CA 1.614 59.839 58.200 0.042 0.000 0.981 197 S CB -0.377 62.825 63.200 0.003 0.000 0.818 197 S HN 0.319 nan 8.310 nan 0.000 0.472 198 K N 1.101 121.439 120.400 -0.103 0.000 2.025 198 K HA 0.346 4.741 4.320 0.125 0.000 0.207 198 K C 2.324 178.803 176.600 -0.202 0.000 1.049 198 K CA 1.536 57.714 56.287 -0.182 0.000 0.933 198 K CB -1.678 30.652 32.500 -0.283 0.000 0.714 198 K HN 0.787 nan 8.250 nan 0.000 0.438 199 A N -0.225 122.497 122.820 -0.163 0.000 2.239 199 A HA 0.380 4.775 4.320 0.125 0.000 0.209 199 A C 1.887 179.483 177.584 0.021 0.000 1.171 199 A CA 1.034 52.955 52.037 -0.194 0.000 0.768 199 A CB -0.338 18.683 19.000 0.035 0.000 0.790 199 A HN 0.444 nan 8.150 nan 0.000 0.478 200 L N -3.128 118.113 121.223 0.031 0.000 2.688 200 L HA 0.137 4.552 4.340 0.125 0.000 0.216 200 L C 2.102 178.995 176.870 0.038 0.000 1.036 200 L CA 0.200 55.089 54.840 0.081 0.000 0.906 200 L CB -0.447 41.680 42.059 0.112 0.000 1.501 200 L HN 0.233 nan 8.230 nan 0.000 0.489 201 E N 1.490 121.695 120.200 0.007 0.000 2.006 201 E HA -0.072 4.353 4.350 0.125 0.000 0.192 201 E C 0.304 176.892 176.600 -0.020 0.000 0.993 201 E CA 1.065 57.463 56.400 -0.004 0.000 0.808 201 E CB 0.286 29.978 29.700 -0.014 0.000 0.764 201 E HN 0.130 nan 8.360 nan 0.000 0.449 202 K N 1.132 121.500 120.400 -0.052 0.000 2.865 202 K HA 0.208 4.603 4.320 0.125 0.000 0.215 202 K C -2.670 173.863 176.600 -0.111 0.000 1.120 202 K CA -1.132 55.119 56.287 -0.061 0.000 1.037 202 K CB 1.982 34.450 32.500 -0.054 0.000 1.233 202 K HN 0.071 nan 8.250 nan 0.000 0.577 203 P HA 0.045 nan 4.420 nan 0.000 0.271 203 P C -0.476 176.702 177.300 -0.204 0.000 1.218 203 P CA -0.128 62.802 63.100 -0.283 0.000 0.780 203 P CB 0.938 32.363 31.700 -0.458 0.000 0.901 204 E N 2.451 122.509 120.200 -0.237 0.000 2.373 204 E HA 0.236 4.661 4.350 0.125 0.000 0.263 204 E C 0.317 176.857 176.600 -0.099 0.000 1.073 204 E CA -0.025 56.289 56.400 -0.143 0.000 0.894 204 E CB 0.979 30.596 29.700 -0.138 0.000 1.008 204 E HN 0.414 nan 8.360 nan 0.000 0.420 205 R N 1.652 122.123 120.500 -0.049 0.000 2.807 205 R HA 0.424 4.839 4.340 0.125 0.000 0.276 205 R C -2.415 173.880 176.300 -0.010 0.000 0.979 205 R CA -1.995 54.092 56.100 -0.021 0.000 0.928 205 R CB 1.259 31.537 30.300 -0.036 0.000 1.191 205 R HN 0.209 nan 8.270 nan 0.000 0.471 206 P HA -0.024 nan 4.420 nan 0.000 0.267 206 P C -1.232 176.090 177.300 0.037 0.000 1.205 206 P CA 0.265 63.330 63.100 -0.058 0.000 0.765 206 P CB 0.286 32.029 31.700 0.072 0.000 0.828 207 F N 5.146 124.959 119.950 -0.228 0.000 2.361 207 F HA 0.440 5.038 4.527 0.118 0.000 0.364 207 F C -0.706 175.013 175.800 -0.135 0.000 1.117 207 F CA -1.454 56.466 58.000 -0.134 0.000 1.071 207 F CB 0.640 39.571 39.000 -0.114 0.000 1.188 207 F HN 0.113 nan 8.300 nan 0.000 0.464 208 L N 7.092 128.418 121.223 0.171 0.000 2.295 208 L HA 0.749 5.164 4.340 0.125 0.000 0.285 208 L C -1.022 175.771 176.870 -0.128 0.000 1.035 208 L CA -0.225 54.618 54.840 0.004 0.000 0.806 208 L CB 1.386 43.532 42.059 0.145 0.000 1.214 208 L HN 0.611 nan 8.230 nan 0.000 0.426 209 A N 6.688 129.363 122.820 -0.241 0.000 2.304 209 A HA 0.710 5.105 4.320 0.125 0.000 0.314 209 A C -0.718 176.819 177.584 -0.078 0.000 1.187 209 A CA -0.446 51.485 52.037 -0.177 0.000 0.810 209 A CB 0.302 19.126 19.000 -0.294 0.000 1.183 209 A HN 0.699 nan 8.150 nan 0.000 0.487 210 I N 3.751 124.325 120.570 0.007 0.000 2.328 210 I HA 0.300 4.545 4.170 0.125 0.000 0.287 210 I C -0.845 175.361 176.117 0.148 0.000 1.012 210 I CA -0.167 61.128 61.300 -0.008 0.000 1.195 210 I CB 1.120 38.998 38.000 -0.202 0.000 1.350 210 I HN 0.479 nan 8.210 nan 0.000 0.464 211 L N 6.363 127.632 121.223 0.076 0.000 2.325 211 L HA 0.736 5.151 4.340 0.125 0.000 0.281 211 L C 0.392 177.334 176.870 0.121 0.000 1.004 211 L CA -0.405 54.502 54.840 0.112 0.000 0.823 211 L CB 1.737 43.823 42.059 0.045 0.000 1.236 211 L HN 0.645 nan 8.230 nan 0.000 0.415 212 G N 0.955 109.861 108.800 0.177 0.000 2.685 212 G HA2 0.887 4.923 3.960 0.125 0.000 0.298 212 G HA3 0.887 4.923 3.960 0.125 0.000 0.298 212 G C -0.626 174.361 174.900 0.145 0.000 1.277 212 G CA -0.453 44.754 45.100 0.178 0.000 0.986 212 G HN 0.895 nan 8.290 nan 0.000 0.487 213 G N -2.288 106.607 108.800 0.159 0.000 2.359 213 G HA2 0.535 4.570 3.960 0.125 0.000 0.314 213 G HA3 0.535 4.570 3.960 0.125 0.000 0.314 213 G C 0.403 175.394 174.900 0.151 0.000 1.364 213 G CA 0.431 45.615 45.100 0.140 0.000 0.978 213 G HN 1.564 nan 8.290 nan 0.000 0.615 214 A N -0.201 122.691 122.820 0.120 0.000 1.843 214 A HA 0.545 4.940 4.320 0.125 0.000 0.213 214 A C 1.198 178.839 177.584 0.094 0.000 1.239 214 A CA 1.781 53.881 52.037 0.105 0.000 0.606 214 A CB -0.280 18.751 19.000 0.052 0.000 0.903 214 A HN 0.687 nan 8.150 nan 0.000 0.455 215 K N -0.999 119.439 120.400 0.063 0.000 2.098 215 K HA 0.527 4.922 4.320 0.125 0.000 0.258 215 K C 0.630 177.267 176.600 0.061 0.000 0.973 215 K CA -0.143 56.169 56.287 0.040 0.000 0.898 215 K CB 1.860 34.364 32.500 0.007 0.000 1.057 215 K HN -0.007 nan 8.250 nan 0.000 0.447 216 V N 2.175 122.112 119.914 0.038 0.000 2.500 216 V HA -0.175 4.020 4.120 0.125 0.000 0.243 216 V C 1.983 178.095 176.094 0.030 0.000 1.039 216 V CA 1.321 63.665 62.300 0.073 0.000 1.053 216 V CB -0.600 31.233 31.823 0.017 0.000 0.695 216 V HN 0.857 nan 8.190 nan 0.000 0.463 217 K N 2.563 122.950 120.400 -0.022 0.000 2.127 217 K HA -0.272 4.123 4.320 0.125 0.000 0.208 217 K C 1.092 177.695 176.600 0.004 0.000 1.047 217 K CA 2.436 58.710 56.287 -0.022 0.000 0.927 217 K CB -0.660 31.817 32.500 -0.038 0.000 0.716 217 K HN 0.670 nan 8.250 nan 0.000 0.450 218 D N -0.320 120.090 120.400 0.017 0.000 2.395 218 D HA 0.064 4.779 4.640 0.125 0.000 0.226 218 D C 0.599 176.922 176.300 0.039 0.000 1.146 218 D CA -0.311 53.703 54.000 0.023 0.000 0.830 218 D CB 0.688 41.500 40.800 0.020 0.000 0.958 218 D HN 0.043 nan 8.370 nan 0.000 0.501 219 K N 0.168 120.600 120.400 0.054 0.000 2.477 219 K HA 0.184 4.579 4.320 0.125 0.000 0.208 219 K C 1.312 177.958 176.600 0.076 0.000 1.117 219 K CA -0.251 56.077 56.287 0.069 0.000 1.039 219 K CB 0.612 33.169 32.500 0.095 0.000 0.937 219 K HN 0.115 nan 8.250 nan 0.000 0.570 220 I N 1.534 122.142 120.570 0.064 0.000 2.118 220 I HA -0.294 3.951 4.170 0.125 0.000 0.241 220 I C 2.193 178.342 176.117 0.054 0.000 1.070 220 I CA 1.669 63.007 61.300 0.063 0.000 1.327 220 I CB -0.907 37.115 38.000 0.037 0.000 1.034 220 I HN 0.274 nan 8.210 nan 0.000 0.405 221 Q N -0.034 119.790 119.800 0.041 0.000 2.050 221 Q HA -0.215 4.200 4.340 0.125 0.000 0.202 221 Q C 2.376 178.399 176.000 0.040 0.000 0.980 221 Q CA 1.369 57.193 55.803 0.035 0.000 0.840 221 Q CB -0.310 28.444 28.738 0.027 0.000 0.898 221 Q HN 0.372 nan 8.270 nan 0.000 0.424 222 L N 0.861 122.109 121.223 0.043 0.000 2.046 222 L HA -0.179 4.236 4.340 0.125 0.000 0.208 222 L C 2.047 178.944 176.870 0.046 0.000 1.077 222 L CA 1.548 56.416 54.840 0.046 0.000 0.747 222 L CB -0.395 41.693 42.059 0.049 0.000 0.896 222 L HN 0.178 nan 8.230 nan 0.000 0.432 223 I N -0.640 119.964 120.570 0.056 0.000 2.142 223 I HA -0.330 3.915 4.170 0.125 0.000 0.240 223 I C 2.496 178.637 176.117 0.040 0.000 1.078 223 I CA 1.531 62.862 61.300 0.052 0.000 1.343 223 I CB -0.476 37.583 38.000 0.098 0.000 1.046 223 I HN 0.259 nan 8.210 nan 0.000 0.405 224 K N 0.477 120.907 120.400 0.050 0.000 2.032 224 K HA -0.236 4.159 4.320 0.125 0.000 0.209 224 K C 1.946 178.564 176.600 0.030 0.000 1.048 224 K CA 1.949 58.261 56.287 0.041 0.000 0.927 224 K CB -0.392 32.133 32.500 0.042 0.000 0.712 224 K HN 0.201 nan 8.250 nan 0.000 0.441 225 N N 0.550 119.271 118.700 0.034 0.000 2.166 225 N HA -0.123 4.692 4.740 0.125 0.000 0.186 225 N C 1.632 177.164 175.510 0.036 0.000 1.019 225 N CA 1.205 54.278 53.050 0.038 0.000 0.856 225 N CB 0.072 38.586 38.487 0.045 0.000 0.993 225 N HN 0.040 nan 8.380 nan 0.000 0.426 226 M N -0.096 119.516 119.600 0.020 0.000 2.254 226 M HA 0.014 4.569 4.480 0.125 0.000 0.265 226 M C 1.724 177.982 176.300 -0.069 0.000 1.066 226 M CA 0.772 56.058 55.300 -0.024 0.000 1.123 226 M CB -0.798 31.770 32.600 -0.052 0.000 1.388 226 M HN 0.240 nan 8.290 nan 0.000 0.425 227 L N -0.293 120.906 121.223 -0.039 0.000 2.362 227 L HA -0.175 4.240 4.340 0.125 0.000 0.219 227 L C 1.297 178.152 176.870 -0.025 0.000 1.134 227 L CA 0.649 55.464 54.840 -0.042 0.000 0.807 227 L CB -0.532 41.521 42.059 -0.010 0.000 0.927 227 L HN 0.255 nan 8.230 nan 0.000 0.447 228 D N -0.109 120.290 120.400 -0.001 0.000 2.340 228 D HA -0.031 4.684 4.640 0.125 0.000 0.220 228 D C 1.583 177.899 176.300 0.027 0.000 1.039 228 D CA 0.650 54.659 54.000 0.014 0.000 0.866 228 D CB 0.487 41.303 40.800 0.027 0.000 0.913 228 D HN 0.433 nan 8.370 nan 0.000 0.523 229 K N -0.088 120.327 120.400 0.025 0.000 2.493 229 K HA 0.094 4.489 4.320 0.125 0.000 0.201 229 K C 1.033 177.678 176.600 0.075 0.000 1.355 229 K CA 0.058 56.405 56.287 0.100 0.000 0.953 229 K CB 1.088 33.728 32.500 0.234 0.000 1.316 229 K HN -0.048 nan 8.250 nan 0.000 0.522 230 V N 0.520 120.326 119.914 -0.179 0.000 3.264 230 V HA 0.158 4.353 4.120 0.125 0.000 0.304 230 V C 0.347 176.276 176.094 -0.274 0.000 1.086 230 V CA -0.177 61.880 62.300 -0.405 0.000 1.090 230 V CB 0.941 32.356 31.823 -0.679 0.000 1.112 230 V HN 0.101 nan 8.190 nan 0.000 0.472 231 N N 0.100 118.549 118.700 -0.418 0.000 2.499 231 N HA 0.354 5.169 4.740 0.125 0.000 0.182 231 N C -0.201 174.986 175.510 -0.538 0.000 1.034 231 N CA 0.621 53.307 53.050 -0.607 0.000 0.882 231 N CB 0.133 37.946 38.487 -1.123 0.000 1.125 231 N HN 0.726 nan 8.380 nan 0.000 0.436 232 F N -0.343 119.531 119.950 -0.127 0.000 2.611 232 F HA 0.584 5.185 4.527 0.124 0.000 0.324 232 F C -0.430 175.250 175.800 -0.200 0.000 1.061 232 F CA -1.271 56.644 58.000 -0.142 0.000 0.954 232 F CB 2.045 40.975 39.000 -0.116 0.000 1.301 232 F HN -0.273 nan 8.300 nan 0.000 0.482 233 M N 3.104 122.698 119.600 -0.010 0.000 2.294 233 M HA 0.528 5.083 4.480 0.125 0.000 0.280 233 M C -2.343 173.827 176.300 -0.216 0.000 1.085 233 M CA -0.176 55.041 55.300 -0.138 0.000 0.969 233 M CB 1.974 34.470 32.600 -0.173 0.000 1.770 233 M HN 0.603 nan 8.290 nan 0.000 0.485 234 I N 5.434 125.880 120.570 -0.208 0.000 2.441 234 I HA 0.489 4.734 4.170 0.125 0.000 0.295 234 I C -0.820 175.146 176.117 -0.252 0.000 0.994 234 I CA -0.803 60.342 61.300 -0.260 0.000 1.144 234 I CB 1.999 39.883 38.000 -0.193 0.000 1.314 234 I HN 0.664 nan 8.210 nan 0.000 0.445 235 I N 4.919 125.282 120.570 -0.346 0.000 2.411 235 I HA 0.481 4.726 4.170 0.125 0.000 0.284 235 I C 0.356 176.442 176.117 -0.051 0.000 1.012 235 I CA -0.124 61.044 61.300 -0.220 0.000 1.119 235 I CB 1.696 39.469 38.000 -0.378 0.000 1.261 235 I HN 0.682 nan 8.210 nan 0.000 0.448 236 G N 3.231 112.052 108.800 0.034 0.000 3.013 236 G HA2 0.816 4.851 3.960 0.125 0.000 0.278 236 G HA3 0.816 4.851 3.960 0.125 0.000 0.278 236 G C -0.242 174.751 174.900 0.156 0.000 1.353 236 G CA -0.444 44.717 45.100 0.102 0.000 1.043 236 G HN 0.933 nan 8.290 nan 0.000 0.523 237 G N -1.828 107.097 108.800 0.210 0.000 2.760 237 G HA2 0.312 4.347 3.960 0.125 0.000 0.246 237 G HA3 0.312 4.347 3.960 0.125 0.000 0.246 237 G C 1.242 176.316 174.900 0.290 0.000 1.359 237 G CA 0.323 45.577 45.100 0.257 0.000 0.861 237 G HN 1.879 nan 8.290 nan 0.000 0.541 238 G N -0.656 108.340 108.800 0.328 0.000 2.507 238 G HA2 -0.183 3.852 3.960 0.125 0.000 0.221 238 G HA3 -0.183 3.852 3.960 0.125 0.000 0.221 238 G C 1.949 177.061 174.900 0.353 0.000 1.119 238 G CA 2.038 47.381 45.100 0.405 0.000 0.751 238 G HN 0.785 nan 8.290 nan 0.000 0.574 239 M N 0.725 120.470 119.600 0.242 0.000 2.089 239 M HA -0.186 4.369 4.480 0.125 0.000 0.257 239 M C 3.107 179.582 176.300 0.293 0.000 1.071 239 M CA 1.669 57.121 55.300 0.253 0.000 1.096 239 M CB -0.486 32.268 32.600 0.256 0.000 1.330 239 M HN 0.348 nan 8.290 nan 0.000 0.403 240 A N 0.011 122.926 122.820 0.158 0.000 1.915 240 A HA -0.254 4.141 4.320 0.125 0.000 0.220 240 A C 1.805 179.347 177.584 -0.071 0.000 1.198 240 A CA 2.115 54.171 52.037 0.031 0.000 0.647 240 A CB -1.482 17.437 19.000 -0.135 0.000 0.825 240 A HN 0.606 nan 8.150 nan 0.000 0.456 241 Y N 0.004 120.419 120.300 0.192 0.000 2.274 241 Y HA -0.159 4.465 4.550 0.124 0.000 0.290 241 Y C 2.952 178.977 175.900 0.208 0.000 1.145 241 Y CA 1.499 59.680 58.100 0.135 0.000 1.203 241 Y CB -1.006 37.512 38.460 0.096 0.000 0.984 241 Y HN 0.262 nan 8.280 nan 0.000 0.533 242 T N 0.090 114.801 114.554 0.262 0.000 2.737 242 T HA -0.153 4.272 4.350 0.125 0.000 0.265 242 T C 1.530 176.248 174.700 0.030 0.000 1.038 242 T CA 1.498 63.610 62.100 0.020 0.000 1.144 242 T CB -0.532 68.133 68.868 -0.338 0.000 0.866 242 T HN 0.171 nan 8.240 nan 0.000 0.434 243 F N 1.117 121.013 119.950 -0.089 0.000 2.134 243 F HA 0.035 4.636 4.527 0.124 0.000 0.299 243 F C 2.139 177.769 175.800 -0.282 0.000 1.097 243 F CA 0.841 58.705 58.000 -0.227 0.000 1.264 243 F CB -0.657 38.070 39.000 -0.455 0.000 1.001 243 F HN 0.089 nan 8.300 nan 0.000 0.479 244 L N -0.117 121.071 121.223 -0.059 0.000 2.017 244 L HA -0.235 4.180 4.340 0.125 0.000 0.208 244 L C 2.485 179.368 176.870 0.021 0.000 1.073 244 L CA 1.549 56.348 54.840 -0.067 0.000 0.745 244 L CB -0.700 41.345 42.059 -0.023 0.000 0.894 244 L HN 0.076 nan 8.230 nan 0.000 0.432 245 K N 0.300 120.762 120.400 0.103 0.000 2.097 245 K HA -0.254 4.141 4.320 0.125 0.000 0.206 245 K C 2.026 178.669 176.600 0.071 0.000 1.049 245 K CA 1.691 58.033 56.287 0.091 0.000 0.933 245 K CB 0.107 32.691 32.500 0.140 0.000 0.717 245 K HN 0.095 nan 8.250 nan 0.000 0.442 246 E N 0.000 120.255 120.200 0.091 0.000 2.230 246 E HA 0.007 4.432 4.350 0.125 0.000 0.192 246 E C 1.453 178.060 176.600 0.011 0.000 0.987 246 E CA 0.678 57.105 56.400 0.046 0.000 0.841 246 E CB 0.285 29.988 29.700 0.005 0.000 0.783 246 E HN 0.332 nan 8.360 nan 0.000 0.481 247 L N -0.640 120.580 121.223 -0.005 0.000 2.642 247 L HA 0.235 4.651 4.340 0.125 0.000 0.233 247 L C 0.985 177.857 176.870 0.004 0.000 1.077 247 L CA 0.199 55.038 54.840 -0.002 0.000 0.879 247 L CB 0.417 42.466 42.059 -0.017 0.000 1.151 247 L HN -0.132 nan 8.230 nan 0.000 0.495 248 K N 0.040 120.440 120.400 -0.000 0.000 2.536 248 K HA 0.179 4.574 4.320 0.125 0.000 0.203 248 K C -0.084 176.528 176.600 0.019 0.000 1.063 248 K CA -0.233 56.063 56.287 0.016 0.000 1.063 248 K CB 0.359 32.874 32.500 0.024 0.000 0.843 248 K HN -0.012 nan 8.250 nan 0.000 0.521 249 N N 2.023 120.731 118.700 0.012 0.000 2.701 249 N HA -0.223 4.592 4.740 0.125 0.000 0.252 249 N C -0.350 175.163 175.510 0.004 0.000 1.002 249 N CA 0.386 53.439 53.050 0.004 0.000 0.758 249 N CB -0.845 37.645 38.487 0.004 0.000 0.937 249 N HN 0.417 nan 8.380 nan 0.000 0.538 250 M N 0.561 120.168 119.600 0.011 0.000 2.185 250 M HA 0.151 4.706 4.480 0.125 0.000 0.357 250 M C 0.003 176.296 176.300 -0.012 0.000 1.260 250 M CA -0.529 54.779 55.300 0.013 0.000 1.124 250 M CB 0.789 33.409 32.600 0.032 0.000 1.600 250 M HN 0.109 nan 8.290 nan 0.000 0.467 251 Q N 4.444 124.233 119.800 -0.018 0.000 2.300 251 Q HA 0.142 4.557 4.340 0.125 0.000 0.262 251 Q C 0.554 176.528 176.000 -0.045 0.000 1.109 251 Q CA 0.346 56.126 55.803 -0.039 0.000 0.905 251 Q CB -0.032 28.688 28.738 -0.029 0.000 1.280 251 Q HN 0.759 nan 8.270 nan 0.000 0.426 252 I N 0.335 120.871 120.570 -0.057 0.000 3.735 252 I HA 0.322 4.567 4.170 0.125 0.000 0.310 252 I C 1.043 177.105 176.117 -0.092 0.000 1.270 252 I CA 0.259 61.523 61.300 -0.060 0.000 1.207 252 I CB -0.514 37.493 38.000 0.011 0.000 1.013 252 I HN 0.634 nan 8.210 nan 0.000 0.452 253 G N 2.330 111.091 108.800 -0.064 0.000 2.583 253 G HA2 -0.398 3.637 3.960 0.125 0.000 0.292 253 G HA3 -0.398 3.637 3.960 0.125 0.000 0.292 253 G C 0.672 175.545 174.900 -0.046 0.000 1.203 253 G CA 0.641 45.721 45.100 -0.033 0.000 0.987 253 G HN 0.891 nan 8.290 nan 0.000 0.554 254 A N -0.149 122.655 122.820 -0.027 0.000 2.460 254 A HA 0.706 5.101 4.320 0.125 0.000 0.258 254 A C 1.269 178.810 177.584 -0.072 0.000 1.300 254 A CA 1.362 53.377 52.037 -0.037 0.000 0.913 254 A CB -0.189 18.804 19.000 -0.012 0.000 1.031 254 A HN 1.343 nan 8.150 nan 0.000 0.512 255 S N 0.063 115.682 115.700 -0.136 0.000 2.587 255 S HA 0.350 4.895 4.470 0.125 0.000 0.260 255 S C 0.497 175.033 174.600 -0.107 0.000 1.353 255 S CA -0.343 57.710 58.200 -0.245 0.000 0.995 255 S CB 0.258 63.089 63.200 -0.614 0.000 0.912 255 S HN 0.463 nan 8.310 nan 0.000 0.568 256 L N 1.113 122.284 121.223 -0.087 0.000 2.467 256 L HA 0.379 4.794 4.340 0.125 0.000 0.270 256 L C -0.378 176.605 176.870 0.188 0.000 1.205 256 L CA 0.176 55.030 54.840 0.023 0.000 0.828 256 L CB -0.077 41.986 42.059 0.007 0.000 1.101 256 L HN 0.532 nan 8.230 nan 0.000 0.479 257 F N 1.103 121.053 119.950 0.000 0.000 2.605 257 F HA 0.227 4.831 4.527 0.127 0.000 0.320 257 F C -0.737 175.065 175.800 0.004 0.000 1.159 257 F CA -0.972 57.039 58.000 0.019 0.000 0.999 257 F CB 1.421 40.422 39.000 0.001 0.000 1.258 257 F HN 0.375 nan 8.300 nan 0.000 0.464 258 D N 5.360 125.448 120.400 -0.520 0.000 2.468 258 D HA 0.080 4.795 4.640 0.125 0.000 0.218 258 D C 0.986 176.969 176.300 -0.528 0.000 1.155 258 D CA 0.252 54.029 54.000 -0.372 0.000 0.924 258 D CB 0.950 41.590 40.800 -0.268 0.000 1.029 258 D HN 0.900 nan 8.370 nan 0.000 0.515 259 E N 2.859 122.927 120.200 -0.221 0.000 2.097 259 E HA -0.253 4.172 4.350 0.125 0.000 0.196 259 E C 1.335 177.876 176.600 -0.098 0.000 1.000 259 E CA 1.186 57.552 56.400 -0.057 0.000 0.804 259 E CB 0.232 29.990 29.700 0.097 0.000 0.740 259 E HN 0.625 nan 8.360 nan 0.000 0.454 260 E N -0.689 119.453 120.200 -0.096 0.000 2.072 260 E HA -0.124 4.301 4.350 0.125 0.000 0.191 260 E C 2.056 178.585 176.600 -0.118 0.000 0.985 260 E CA 1.082 57.435 56.400 -0.079 0.000 0.801 260 E CB -0.304 29.363 29.700 -0.055 0.000 0.750 260 E HN 0.365 nan 8.360 nan 0.000 0.452 261 G N 0.532 109.231 108.800 -0.168 0.000 2.443 261 G HA2 -0.197 3.838 3.960 0.125 0.000 0.219 261 G HA3 -0.197 3.838 3.960 0.125 0.000 0.219 261 G C 1.588 176.319 174.900 -0.281 0.000 1.131 261 G CA 0.658 45.641 45.100 -0.195 0.000 0.775 261 G HN 0.386 nan 8.290 nan 0.000 0.547 262 A N 0.784 123.399 122.820 -0.342 0.000 2.125 262 A HA 0.012 4.407 4.320 0.125 0.000 0.219 262 A C 2.475 179.953 177.584 -0.177 0.000 1.156 262 A CA 2.260 54.101 52.037 -0.327 0.000 0.671 262 A CB -0.670 18.150 19.000 -0.300 0.000 0.794 262 A HN 0.514 nan 8.150 nan 0.000 0.459 263 T N -3.761 110.714 114.554 -0.131 0.000 3.107 263 T HA 0.267 4.692 4.350 0.125 0.000 0.249 263 T C 1.017 175.669 174.700 -0.079 0.000 1.096 263 T CA 0.732 62.786 62.100 -0.077 0.000 1.012 263 T CB -0.228 68.612 68.868 -0.046 0.000 0.977 263 T HN 0.199 nan 8.240 nan 0.000 0.527 264 I N 0.198 120.700 120.570 -0.114 0.000 4.139 264 I HA 0.252 4.497 4.170 0.125 0.000 0.335 264 I C 2.084 178.138 176.117 -0.105 0.000 1.327 264 I CA 0.036 61.286 61.300 -0.083 0.000 1.112 264 I CB 0.294 38.257 38.000 -0.062 0.000 1.058 264 I HN 0.004 nan 8.210 nan 0.000 0.396 265 V N 1.274 121.060 119.914 -0.214 0.000 2.220 265 V HA -0.385 3.810 4.120 0.125 0.000 0.250 265 V C 2.448 178.508 176.094 -0.056 0.000 1.056 265 V CA 2.162 64.290 62.300 -0.286 0.000 1.016 265 V CB -0.667 30.910 31.823 -0.409 0.000 0.639 265 V HN 0.405 nan 8.190 nan 0.000 0.446 266 K N -0.532 119.845 120.400 -0.039 0.000 2.286 266 K HA -0.255 4.140 4.320 0.125 0.000 0.203 266 K C 2.144 178.762 176.600 0.030 0.000 1.045 266 K CA 1.692 57.987 56.287 0.013 0.000 0.935 266 K CB -0.165 32.338 32.500 0.004 0.000 0.737 266 K HN 0.629 nan 8.250 nan 0.000 0.460 267 E N 0.887 121.097 120.200 0.017 0.000 2.158 267 E HA -0.102 4.323 4.350 0.125 0.000 0.191 267 E C 1.836 178.469 176.600 0.056 0.000 0.982 267 E CA 0.553 56.970 56.400 0.028 0.000 0.823 267 E CB 0.145 29.853 29.700 0.013 0.000 0.766 267 E HN 0.254 nan 8.360 nan 0.000 0.468 268 I N 0.627 121.247 120.570 0.084 0.000 2.233 268 I HA -0.225 4.020 4.170 0.125 0.000 0.243 268 I C 2.266 178.478 176.117 0.158 0.000 1.093 268 I CA 0.588 61.975 61.300 0.144 0.000 1.380 268 I CB -0.161 37.992 38.000 0.255 0.000 1.067 268 I HN 0.226 nan 8.210 nan 0.000 0.413 269 M N 0.197 119.905 119.600 0.180 0.000 2.279 269 M HA -0.181 4.374 4.480 0.125 0.000 0.264 269 M C 2.013 178.375 176.300 0.104 0.000 1.062 269 M CA 1.565 56.965 55.300 0.167 0.000 1.099 269 M CB -1.214 31.490 32.600 0.173 0.000 1.394 269 M HN 0.274 nan 8.290 nan 0.000 0.426 270 E N 0.013 120.261 120.200 0.081 0.000 2.028 270 E HA -0.216 4.209 4.350 0.125 0.000 0.191 270 E C 2.050 178.681 176.600 0.053 0.000 0.988 270 E CA 1.133 57.568 56.400 0.058 0.000 0.799 270 E CB -0.064 29.663 29.700 0.045 0.000 0.755 270 E HN 0.234 nan 8.360 nan 0.000 0.447 271 K N 1.149 121.582 120.400 0.055 0.000 2.074 271 K HA -0.171 4.224 4.320 0.125 0.000 0.209 271 K C 1.838 178.463 176.600 0.041 0.000 1.048 271 K CA 1.478 57.792 56.287 0.045 0.000 0.926 271 K CB -0.414 32.116 32.500 0.050 0.000 0.713 271 K HN 0.127 nan 8.250 nan 0.000 0.444 272 A N 0.554 123.406 122.820 0.054 0.000 1.908 272 A HA -0.231 4.164 4.320 0.125 0.000 0.218 272 A C 2.187 179.792 177.584 0.036 0.000 1.181 272 A CA 2.022 54.084 52.037 0.041 0.000 0.627 272 A CB -0.637 18.399 19.000 0.061 0.000 0.818 272 A HN 0.593 nan 8.150 nan 0.000 0.445 273 E N -0.295 119.932 120.200 0.045 0.000 2.072 273 E HA -0.151 4.274 4.350 0.125 0.000 0.190 273 E C 2.307 178.925 176.600 0.029 0.000 0.982 273 E CA 1.408 57.832 56.400 0.039 0.000 0.803 273 E CB -0.201 29.525 29.700 0.044 0.000 0.755 273 E HN 0.531 nan 8.360 nan 0.000 0.453 274 K N 0.896 121.312 120.400 0.028 0.000 2.211 274 K HA -0.088 4.307 4.320 0.125 0.000 0.203 274 K C 1.359 177.969 176.600 0.016 0.000 1.050 274 K CA 1.649 57.949 56.287 0.022 0.000 0.945 274 K CB -0.952 31.561 32.500 0.022 0.000 0.732 274 K HN 0.296 nan 8.250 nan 0.000 0.451 275 N N -0.625 118.083 118.700 0.015 0.000 2.270 275 N HA 0.218 5.033 4.740 0.125 0.000 0.198 275 N C 0.514 176.025 175.510 0.001 0.000 1.117 275 N CA 0.133 53.186 53.050 0.006 0.000 0.845 275 N CB 0.514 39.001 38.487 0.001 0.000 0.980 275 N HN 0.527 nan 8.380 nan 0.000 0.486 276 G N 1.174 109.980 108.800 0.011 0.000 2.366 276 G HA2 -0.241 3.794 3.960 0.125 0.000 0.299 276 G HA3 -0.241 3.794 3.960 0.125 0.000 0.299 276 G C -0.386 174.522 174.900 0.013 0.000 1.020 276 G CA 0.148 45.257 45.100 0.014 0.000 1.026 276 G HN 0.162 nan 8.290 nan 0.000 0.512 277 V N -0.275 119.648 119.914 0.014 0.000 2.735 277 V HA 0.641 4.836 4.120 0.125 0.000 0.310 277 V C 0.231 176.341 176.094 0.028 0.000 1.061 277 V CA -0.984 61.324 62.300 0.014 0.000 0.913 277 V CB 2.266 34.075 31.823 -0.024 0.000 1.005 277 V HN 0.345 nan 8.190 nan 0.000 0.428 278 K N 4.588 125.014 120.400 0.043 0.000 2.449 278 K HA 0.518 4.913 4.320 0.125 0.000 0.257 278 K C -0.628 175.940 176.600 -0.053 0.000 0.989 278 K CA -0.641 55.656 56.287 0.016 0.000 0.916 278 K CB 0.816 33.333 32.500 0.028 0.000 1.136 278 K HN 0.513 nan 8.250 nan 0.000 0.439 279 I N 4.543 125.043 120.570 -0.117 0.000 2.692 279 I HA 0.014 4.259 4.170 0.125 0.000 0.284 279 I C 0.554 176.392 176.117 -0.465 0.000 1.159 279 I CA -0.203 60.886 61.300 -0.351 0.000 1.423 279 I CB 0.342 38.041 38.000 -0.502 0.000 1.380 279 I HN 0.300 nan 8.210 nan 0.000 0.580 280 V N 4.463 124.034 119.914 -0.571 0.000 2.555 280 V HA 0.697 4.892 4.120 0.125 0.000 0.302 280 V C -0.825 174.889 176.094 -0.633 0.000 1.038 280 V CA -0.567 61.479 62.300 -0.424 0.000 0.887 280 V CB 1.682 33.366 31.823 -0.232 0.000 0.991 280 V HN 0.501 nan 8.190 nan 0.000 0.434 281 F N 2.489 122.389 119.950 -0.084 0.000 2.661 281 F HA 0.851 5.453 4.527 0.125 0.000 0.347 281 F C -2.020 173.735 175.800 -0.076 0.000 1.086 281 F CA -2.432 55.519 58.000 -0.081 0.000 1.016 281 F CB 0.950 39.921 39.000 -0.049 0.000 1.368 281 F HN 0.370 nan 8.300 nan 0.000 0.505 282 P HA 0.132 nan 4.420 nan 0.000 0.274 282 P C 0.227 177.446 177.300 -0.136 0.000 1.264 282 P CA 0.030 63.066 63.100 -0.106 0.000 0.795 282 P CB 0.536 32.090 31.700 -0.243 0.000 1.064 283 V N -4.823 114.886 119.914 -0.341 0.000 3.380 283 V HA 0.326 4.521 4.120 0.125 0.000 0.277 283 V C -0.616 175.288 176.094 -0.317 0.000 1.590 283 V CA 0.122 62.307 62.300 -0.192 0.000 1.019 283 V CB 0.092 31.864 31.823 -0.086 0.000 0.828 283 V HN 0.544 nan 8.190 nan 0.000 0.427 284 D N 0.040 120.028 120.400 -0.687 0.000 2.602 284 D HA 0.647 5.362 4.640 0.125 0.000 0.236 284 D C -1.241 174.510 176.300 -0.916 0.000 1.209 284 D CA -0.473 53.212 54.000 -0.526 0.000 0.831 284 D CB 1.742 42.446 40.800 -0.160 0.000 1.478 284 D HN 0.089 nan 8.370 nan 0.000 0.438 285 F N -0.916 119.125 119.950 0.151 0.000 2.599 285 F HA 0.573 5.174 4.527 0.123 0.000 0.311 285 F C -0.284 175.645 175.800 0.214 0.000 1.076 285 F CA -1.246 56.883 58.000 0.216 0.000 0.937 285 F CB 2.149 41.331 39.000 0.303 0.000 1.282 285 F HN 0.095 nan 8.300 nan 0.000 0.460 286 V N 1.338 121.518 119.914 0.442 0.000 2.394 286 V HA 0.624 4.819 4.120 0.125 0.000 0.282 286 V C -0.064 176.341 176.094 0.517 0.000 1.031 286 V CA -0.520 62.028 62.300 0.413 0.000 0.881 286 V CB 1.374 33.439 31.823 0.403 0.000 0.982 286 V HN 0.920 nan 8.190 nan 0.000 0.451 287 T N 1.655 116.507 114.554 0.497 0.000 2.942 287 T HA 0.870 5.295 4.350 0.125 0.000 0.289 287 T C -0.073 175.029 174.700 0.669 0.000 1.044 287 T CA -0.539 61.870 62.100 0.514 0.000 1.023 287 T CB 2.111 71.254 68.868 0.457 0.000 1.123 287 T HN 0.922 nan 8.240 nan 0.000 0.512 288 G N 0.185 109.253 108.800 0.446 0.000 2.571 288 G HA2 0.492 4.527 3.960 0.125 0.000 0.304 288 G HA3 0.492 4.527 3.960 0.125 0.000 0.304 288 G C 0.148 174.897 174.900 -0.252 0.000 1.314 288 G CA -0.811 44.398 45.100 0.183 0.000 0.975 288 G HN 0.774 nan 8.290 nan 0.000 0.485 289 D N -0.289 119.533 120.400 -0.963 0.000 2.363 289 D HA 0.026 4.742 4.640 0.125 0.000 0.226 289 D C 0.467 176.405 176.300 -0.604 0.000 1.020 289 D CA 0.285 53.409 54.000 -1.461 0.000 0.892 289 D CB -0.064 39.766 40.800 -1.616 0.000 0.900 289 D HN 0.686 nan 8.370 nan 0.000 0.531 290 K N -2.000 118.198 120.400 -0.336 0.000 2.653 290 K HA 0.169 4.565 4.320 0.125 0.000 0.274 290 K C -1.472 175.096 176.600 -0.052 0.000 0.974 290 K CA -0.925 55.271 56.287 -0.151 0.000 0.868 290 K CB -0.206 32.204 32.500 -0.151 0.000 1.408 290 K HN -0.183 nan 8.250 nan 0.000 0.397 291 F N 3.607 123.505 119.950 -0.086 0.000 2.685 291 F HA 0.191 4.791 4.527 0.122 0.000 0.349 291 F C -0.586 175.239 175.800 0.042 0.000 1.294 291 F CA 0.478 58.488 58.000 0.017 0.000 1.201 291 F CB -0.157 38.877 39.000 0.056 0.000 1.615 291 F HN 0.582 nan 8.300 nan 0.000 0.674 292 D N 2.979 123.143 120.400 -0.394 0.000 2.927 292 D HA 0.029 4.744 4.640 0.125 0.000 0.219 292 D C 0.588 176.246 176.300 -1.069 0.000 1.248 292 D CA -0.296 53.263 54.000 -0.735 0.000 0.861 292 D CB 1.533 42.112 40.800 -0.367 0.000 1.677 292 D HN 0.451 nan 8.370 nan 0.000 0.511 293 E N 2.114 121.185 120.200 -1.882 0.000 2.136 293 E HA -0.220 4.205 4.350 0.125 0.000 0.202 293 E C 0.204 176.505 176.600 -0.498 0.000 1.019 293 E CA 1.358 56.857 56.400 -1.501 0.000 0.819 293 E CB 0.153 28.956 29.700 -1.495 0.000 0.739 293 E HN 0.312 nan 8.360 nan 0.000 0.458 294 N N 0.175 118.642 118.700 -0.388 0.000 2.671 294 N HA 0.225 5.040 4.740 0.125 0.000 0.303 294 N C -1.032 174.399 175.510 -0.131 0.000 1.351 294 N CA 0.202 53.136 53.050 -0.192 0.000 0.991 294 N CB 1.201 39.587 38.487 -0.169 0.000 1.307 294 N HN 0.114 nan 8.380 nan 0.000 0.512 295 A N 0.476 123.247 122.820 -0.082 0.000 2.264 295 A HA 0.347 4.742 4.320 0.125 0.000 0.304 295 A C 0.599 178.195 177.584 0.020 0.000 1.100 295 A CA -0.489 51.507 52.037 -0.069 0.000 0.839 295 A CB 1.234 20.177 19.000 -0.095 0.000 1.121 295 A HN 0.140 nan 8.150 nan 0.000 0.496 296 K N 0.235 120.607 120.400 -0.047 0.000 2.436 296 K HA 0.312 4.707 4.320 0.125 0.000 0.275 296 K C -0.864 175.890 176.600 0.256 0.000 0.999 296 K CA 0.141 56.472 56.287 0.074 0.000 0.980 296 K CB 0.551 33.094 32.500 0.072 0.000 0.919 296 K HN 0.393 nan 8.250 nan 0.000 0.484 297 V N 2.229 122.337 119.914 0.324 0.000 2.435 297 V HA 0.512 4.707 4.120 0.125 0.000 0.290 297 V C 0.616 176.963 176.094 0.422 0.000 1.030 297 V CA -0.524 62.018 62.300 0.403 0.000 0.881 297 V CB 1.595 33.502 31.823 0.141 0.000 0.983 297 V HN 0.998 nan 8.190 nan 0.000 0.445 298 G N 3.595 112.666 108.800 0.452 0.000 3.015 298 G HA2 0.747 4.782 3.960 0.125 0.000 0.281 298 G HA3 0.747 4.782 3.960 0.125 0.000 0.281 298 G C -1.364 173.609 174.900 0.120 0.000 1.386 298 G CA -0.645 44.529 45.100 0.122 0.000 0.959 298 G HN 0.716 nan 8.290 nan 0.000 0.522 299 Q N -1.624 118.188 119.800 0.021 0.000 2.423 299 Q HA 0.825 5.240 4.340 0.125 0.000 0.278 299 Q C -0.984 175.054 176.000 0.064 0.000 1.097 299 Q CA -1.135 54.718 55.803 0.082 0.000 0.809 299 Q CB 2.576 31.351 28.738 0.062 0.000 1.391 299 Q HN 1.189 nan 8.270 nan 0.000 0.428 300 A N 0.711 123.628 122.820 0.162 0.000 2.599 300 A HA 0.863 5.258 4.320 0.125 0.000 0.290 300 A C -0.897 176.864 177.584 0.296 0.000 1.101 300 A CA -0.144 52.006 52.037 0.188 0.000 0.674 300 A CB 1.782 20.896 19.000 0.190 0.000 1.277 300 A HN 0.983 nan 8.150 nan 0.000 0.419 301 T N -1.869 112.847 114.554 0.270 0.000 2.887 301 T HA 0.600 5.025 4.350 0.125 0.000 0.292 301 T C 1.002 175.919 174.700 0.362 0.000 1.087 301 T CA -0.347 61.922 62.100 0.282 0.000 1.009 301 T CB 0.706 69.652 68.868 0.130 0.000 1.203 301 T HN 0.468 nan 8.240 nan 0.000 0.518 302 I N 0.636 121.429 120.570 0.371 0.000 2.194 302 I HA -0.199 4.046 4.170 0.125 0.000 0.246 302 I C 2.452 178.665 176.117 0.159 0.000 1.093 302 I CA 1.668 63.152 61.300 0.307 0.000 1.355 302 I CB -0.319 37.820 38.000 0.232 0.000 1.046 302 I HN 0.717 nan 8.210 nan 0.000 0.413 303 E N 0.664 120.935 120.200 0.119 0.000 2.051 303 E HA -0.192 4.233 4.350 0.125 0.000 0.192 303 E C 2.310 178.946 176.600 0.059 0.000 0.991 303 E CA 1.814 58.258 56.400 0.073 0.000 0.799 303 E CB -0.418 29.315 29.700 0.055 0.000 0.748 303 E HN 0.537 nan 8.360 nan 0.000 0.449 304 S N -0.599 115.142 115.700 0.068 0.000 2.414 304 S HA 0.162 4.708 4.470 0.125 0.000 0.227 304 S C 1.278 175.898 174.600 0.034 0.000 1.022 304 S CA 0.356 58.581 58.200 0.042 0.000 0.958 304 S CB -0.586 62.635 63.200 0.035 0.000 0.797 304 S HN 0.430 nan 8.310 nan 0.000 0.493 305 G N 0.865 109.701 108.800 0.059 0.000 2.846 305 G HA2 -0.117 3.918 3.960 0.125 0.000 0.660 305 G HA3 -0.117 3.918 3.960 0.125 0.000 0.660 305 G C -0.693 174.205 174.900 -0.003 0.000 1.464 305 G CA -0.363 44.748 45.100 0.018 0.000 0.891 305 G HN 0.519 nan 8.290 nan 0.000 0.552 306 I N 2.241 122.790 120.570 -0.035 0.000 2.472 306 I HA 0.420 4.666 4.170 0.125 0.000 0.290 306 I C -1.493 174.615 176.117 -0.016 0.000 1.016 306 I CA -1.779 59.507 61.300 -0.024 0.000 1.348 306 I CB 1.298 39.279 38.000 -0.032 0.000 1.417 306 I HN 0.357 nan 8.210 nan 0.000 0.521 307 P HA 0.167 nan 4.420 nan 0.000 0.272 307 P C -0.631 176.732 177.300 0.106 0.000 1.240 307 P CA -0.397 62.693 63.100 -0.015 0.000 0.791 307 P CB 0.477 32.077 31.700 -0.166 0.000 0.978 308 S N 0.360 116.118 115.700 0.097 0.000 2.568 308 S HA 0.325 4.870 4.470 0.125 0.000 0.282 308 S C 1.515 176.227 174.600 0.188 0.000 1.338 308 S CA 1.077 59.337 58.200 0.100 0.000 1.045 308 S CB -0.332 62.905 63.200 0.062 0.000 0.873 308 S HN 0.895 nan 8.310 nan 0.000 0.516 309 G N 1.961 110.832 108.800 0.117 0.000 2.900 309 G HA2 -0.268 3.767 3.960 0.125 0.000 0.223 309 G HA3 -0.268 3.767 3.960 0.125 0.000 0.223 309 G C 0.133 175.078 174.900 0.075 0.000 1.293 309 G CA 0.180 45.328 45.100 0.080 0.000 0.792 309 G HN 0.611 nan 8.290 nan 0.000 0.527 310 W N 2.117 123.411 121.300 -0.009 0.000 1.975 310 W HA 0.628 5.363 4.660 0.124 0.000 0.359 310 W C 1.149 177.645 176.519 -0.039 0.000 1.363 310 W CA 0.752 58.095 57.345 -0.003 0.000 1.376 310 W CB 0.170 29.640 29.460 0.016 0.000 1.231 310 W HN 0.636 nan 8.180 nan 0.000 0.641 311 M N 0.587 120.311 119.600 0.205 0.000 2.471 311 M HA 0.583 5.138 4.480 0.125 0.000 0.284 311 M C -0.326 175.969 176.300 -0.008 0.000 1.203 311 M CA -0.944 54.361 55.300 0.009 0.000 0.915 311 M CB 1.503 34.080 32.600 -0.038 0.000 1.734 311 M HN 0.485 nan 8.290 nan 0.000 0.485 312 G N 2.356 111.006 108.800 -0.250 0.000 2.361 312 G HA2 0.521 4.556 3.960 0.125 0.000 0.260 312 G HA3 0.521 4.556 3.960 0.125 0.000 0.260 312 G C -0.035 174.906 174.900 0.068 0.000 1.261 312 G CA -0.601 44.449 45.100 -0.084 0.000 0.897 312 G HN 0.800 nan 8.290 nan 0.000 0.499 313 L N 1.104 122.482 121.223 0.257 0.000 2.920 313 L HA 0.365 4.780 4.340 0.125 0.000 0.257 313 L C 0.090 177.200 176.870 0.400 0.000 1.150 313 L CA 0.045 55.013 54.840 0.213 0.000 0.959 313 L CB 0.670 42.576 42.059 -0.255 0.000 1.321 313 L HN 0.527 nan 8.230 nan 0.000 0.555 314 D N -0.862 119.841 120.400 0.504 0.000 2.685 314 D HA 0.199 4.914 4.640 0.125 0.000 0.236 314 D C -0.653 175.892 176.300 0.408 0.000 1.233 314 D CA -0.543 53.730 54.000 0.455 0.000 0.760 314 D CB 1.450 42.531 40.800 0.468 0.000 1.410 314 D HN 0.078 nan 8.370 nan 0.000 0.439 315 C N 1.257 120.721 119.300 0.273 0.000 2.563 315 C HA 1.005 5.540 4.460 0.125 0.000 0.358 315 C C 1.126 176.156 174.990 0.067 0.000 1.336 315 C CA 0.279 59.358 59.018 0.102 0.000 2.454 315 C CB 0.120 27.871 27.740 0.017 0.000 2.448 315 C HN 0.550 nan 8.230 nan 0.000 0.670 316 G N 0.380 109.148 108.800 -0.052 0.000 2.938 316 G HA2 0.642 4.677 3.960 0.125 0.000 0.258 316 G HA3 0.642 4.677 3.960 0.125 0.000 0.258 316 G C -1.712 173.169 174.900 -0.032 0.000 1.356 316 G CA -0.570 44.521 45.100 -0.014 0.000 1.052 316 G HN 0.521 nan 8.290 nan 0.000 0.550 317 P HA -0.165 nan 4.420 nan 0.000 0.215 317 P C 1.165 178.438 177.300 -0.044 0.000 1.163 317 P CA 1.399 64.484 63.100 -0.026 0.000 0.894 317 P CB 0.212 31.902 31.700 -0.016 0.000 0.791 318 E N -0.218 119.949 120.200 -0.055 0.000 2.204 318 E HA -0.061 4.364 4.350 0.125 0.000 0.194 318 E C 2.251 178.804 176.600 -0.079 0.000 0.989 318 E CA 0.824 57.187 56.400 -0.062 0.000 0.824 318 E CB -0.821 28.843 29.700 -0.060 0.000 0.756 318 E HN 0.288 nan 8.360 nan 0.000 0.477 319 S N 0.922 116.561 115.700 -0.102 0.000 2.368 319 S HA -0.022 4.523 4.470 0.125 0.000 0.224 319 S C 2.130 176.679 174.600 -0.084 0.000 1.029 319 S CA 0.542 58.676 58.200 -0.111 0.000 0.988 319 S CB -0.127 62.983 63.200 -0.149 0.000 0.838 319 S HN 0.203 nan 8.310 nan 0.000 0.462 320 I N 1.487 122.018 120.570 -0.065 0.000 2.226 320 I HA -0.224 4.021 4.170 0.125 0.000 0.245 320 I C 2.403 178.479 176.117 -0.068 0.000 1.100 320 I CA 1.203 62.468 61.300 -0.058 0.000 1.374 320 I CB -0.298 37.679 38.000 -0.039 0.000 1.057 320 I HN 0.234 nan 8.210 nan 0.000 0.413 321 K N 0.902 121.264 120.400 -0.064 0.000 2.002 321 K HA -0.149 4.246 4.320 0.125 0.000 0.209 321 K C 2.127 178.680 176.600 -0.078 0.000 1.048 321 K CA 1.502 57.751 56.287 -0.064 0.000 0.930 321 K CB -0.260 32.208 32.500 -0.054 0.000 0.714 321 K HN 0.256 nan 8.250 nan 0.000 0.438 322 I N 1.878 122.398 120.570 -0.083 0.000 2.151 322 I HA -0.340 3.905 4.170 0.125 0.000 0.243 322 I C 1.925 177.972 176.117 -0.117 0.000 1.080 322 I CA 1.128 62.370 61.300 -0.098 0.000 1.339 322 I CB -0.457 37.485 38.000 -0.095 0.000 1.039 322 I HN 0.212 nan 8.210 nan 0.000 0.409 323 N N 1.142 119.773 118.700 -0.115 0.000 2.069 323 N HA -0.184 4.631 4.740 0.125 0.000 0.191 323 N C 1.893 177.325 175.510 -0.131 0.000 1.031 323 N CA 1.772 54.742 53.050 -0.133 0.000 0.852 323 N CB -0.545 37.862 38.487 -0.132 0.000 1.018 323 N HN 0.400 nan 8.380 nan 0.000 0.423 324 A N 1.308 124.062 122.820 -0.110 0.000 1.865 324 A HA -0.235 4.160 4.320 0.125 0.000 0.217 324 A C 2.161 179.687 177.584 -0.096 0.000 1.191 324 A CA 1.686 53.665 52.037 -0.097 0.000 0.623 324 A CB -0.846 18.108 19.000 -0.078 0.000 0.826 324 A HN 0.383 nan 8.150 nan 0.000 0.444 325 Q N -1.075 118.666 119.800 -0.099 0.000 2.096 325 Q HA -0.215 4.200 4.340 0.125 0.000 0.208 325 Q C 2.134 178.054 176.000 -0.132 0.000 0.993 325 Q CA 1.883 57.623 55.803 -0.105 0.000 0.862 325 Q CB -0.348 28.323 28.738 -0.112 0.000 0.915 325 Q HN 0.791 nan 8.270 nan 0.000 0.416 326 I N -0.190 120.280 120.570 -0.168 0.000 2.439 326 I HA -0.203 4.042 4.170 0.125 0.000 0.251 326 I C 1.893 177.937 176.117 -0.121 0.000 1.139 326 I CA 0.582 61.749 61.300 -0.221 0.000 1.438 326 I CB 0.197 38.032 38.000 -0.274 0.000 1.085 326 I HN -0.005 nan 8.210 nan 0.000 0.427 327 V N 1.258 121.110 119.914 -0.102 0.000 2.358 327 V HA -0.221 3.974 4.120 0.125 0.000 0.246 327 V C 2.595 178.671 176.094 -0.031 0.000 1.047 327 V CA 1.705 63.965 62.300 -0.068 0.000 1.035 327 V CB -1.030 30.727 31.823 -0.110 0.000 0.658 327 V HN 0.559 nan 8.190 nan 0.000 0.452 328 A N 0.404 123.198 122.820 -0.044 0.000 2.216 328 A HA -0.178 4.217 4.320 0.125 0.000 0.214 328 A C 1.899 179.482 177.584 -0.003 0.000 1.160 328 A CA 1.351 53.373 52.037 -0.025 0.000 0.725 328 A CB -0.399 18.579 19.000 -0.037 0.000 0.784 328 A HN 0.792 nan 8.150 nan 0.000 0.472 329 Q N -1.175 118.632 119.800 0.011 0.000 2.175 329 Q HA 0.632 5.047 4.340 0.125 0.000 0.225 329 Q C 0.116 176.200 176.000 0.139 0.000 0.837 329 Q CA 0.193 56.029 55.803 0.055 0.000 1.032 329 Q CB 0.143 28.898 28.738 0.027 0.000 1.137 329 Q HN 0.374 nan 8.270 nan 0.000 0.483 330 A N 0.826 123.719 122.820 0.121 0.000 2.337 330 A HA 0.492 4.887 4.320 0.125 0.000 0.331 330 A C 0.176 177.811 177.584 0.085 0.000 1.137 330 A CA -0.701 51.423 52.037 0.146 0.000 0.807 330 A CB 1.501 20.603 19.000 0.170 0.000 1.250 330 A HN 0.203 nan 8.150 nan 0.000 0.468 331 K N -0.437 120.005 120.400 0.070 0.000 2.335 331 K HA 0.228 4.623 4.320 0.125 0.000 0.195 331 K C -0.763 175.843 176.600 0.009 0.000 1.058 331 K CA 0.441 56.742 56.287 0.023 0.000 0.988 331 K CB 0.275 32.772 32.500 -0.006 0.000 0.880 331 K HN 0.461 nan 8.250 nan 0.000 0.513 332 L N 1.331 122.582 121.223 0.046 0.000 2.439 332 L HA 0.470 4.885 4.340 0.125 0.000 0.270 332 L C -1.591 175.427 176.870 0.247 0.000 0.972 332 L CA -0.510 54.347 54.840 0.029 0.000 0.836 332 L CB 1.609 43.524 42.059 -0.242 0.000 1.255 332 L HN -0.070 nan 8.230 nan 0.000 0.404 333 I N 5.268 125.964 120.570 0.210 0.000 2.465 333 I HA 0.563 4.808 4.170 0.125 0.000 0.291 333 I C -0.961 175.336 176.117 0.300 0.000 1.014 333 I CA -0.996 60.458 61.300 0.258 0.000 1.093 333 I CB 2.212 40.297 38.000 0.140 0.000 1.267 333 I HN 0.205 nan 8.210 nan 0.000 0.431 334 V N 5.087 125.221 119.914 0.366 0.000 2.444 334 V HA 0.340 4.535 4.120 0.125 0.000 0.294 334 V C -1.278 175.027 176.094 0.352 0.000 1.022 334 V CA -0.430 62.089 62.300 0.365 0.000 0.850 334 V CB 1.995 34.085 31.823 0.446 0.000 0.992 334 V HN 0.625 nan 8.190 nan 0.000 0.426 335 W N 6.184 127.556 121.300 0.120 0.000 2.411 335 W HA 0.534 5.284 4.660 0.150 0.000 0.317 335 W C -0.505 176.058 176.519 0.073 0.000 1.030 335 W CA -1.245 56.146 57.345 0.076 0.000 1.239 335 W CB 1.248 30.741 29.460 0.055 0.000 1.304 335 W HN 0.514 nan 8.180 nan 0.000 0.437 336 N N 4.147 123.054 118.700 0.345 0.000 2.576 336 N HA 0.463 5.278 4.740 0.125 0.000 0.269 336 N C -0.591 174.961 175.510 0.071 0.000 1.058 336 N CA 0.342 53.451 53.050 0.098 0.000 0.860 336 N CB 1.303 39.868 38.487 0.130 0.000 1.249 336 N HN 0.740 nan 8.380 nan 0.000 0.525 337 G N 3.197 111.917 108.800 -0.132 0.000 3.421 337 G HA2 -0.149 3.886 3.960 0.125 0.000 0.686 337 G HA3 -0.149 3.886 3.960 0.125 0.000 0.686 337 G C -3.162 171.774 174.900 0.060 0.000 1.056 337 G CA -1.075 43.994 45.100 -0.052 0.000 0.891 337 G HN 0.349 nan 8.290 nan 0.000 0.514 338 P HA 0.276 nan 4.420 nan 0.000 0.270 338 P C 1.449 178.935 177.300 0.310 0.000 1.227 338 P CA -0.195 63.001 63.100 0.161 0.000 0.788 338 P CB 0.398 32.098 31.700 0.000 0.000 0.926 339 I N -2.120 118.672 120.570 0.370 0.000 3.904 339 I HA 0.513 4.758 4.170 0.125 0.000 0.333 339 I C 0.515 176.821 176.117 0.314 0.000 1.361 339 I CA -0.035 61.444 61.300 0.299 0.000 1.116 339 I CB -0.102 38.039 38.000 0.234 0.000 1.028 339 I HN 0.234 nan 8.210 nan 0.000 0.398 340 G N 0.377 109.392 108.800 0.358 0.000 2.600 340 G HA2 0.427 4.463 3.960 0.125 0.000 0.293 340 G HA3 0.427 4.463 3.960 0.125 0.000 0.293 340 G C -1.019 174.102 174.900 0.369 0.000 1.408 340 G CA -0.542 44.782 45.100 0.373 0.000 0.782 340 G HN -0.175 nan 8.290 nan 0.000 0.482 341 V N 2.542 122.630 119.914 0.291 0.000 2.054 341 V HA 0.090 4.285 4.120 0.125 0.000 0.243 341 V C 1.607 177.735 176.094 0.056 0.000 1.480 341 V CA 0.350 62.688 62.300 0.063 0.000 1.440 341 V CB -1.798 29.961 31.823 -0.107 0.000 1.489 341 V HN 0.650 nan 8.190 nan 0.000 0.502 342 F N 1.383 121.391 119.950 0.097 0.000 2.236 342 F HA -0.176 4.430 4.527 0.131 0.000 0.302 342 F C 1.673 177.512 175.800 0.065 0.000 1.073 342 F CA 1.314 59.401 58.000 0.144 0.000 1.336 342 F CB -0.483 38.573 39.000 0.094 0.000 1.040 342 F HN 0.373 nan 8.300 nan 0.000 0.507 343 E N -0.533 119.032 120.200 -1.058 0.000 2.333 343 E HA -0.120 4.305 4.350 0.125 0.000 0.198 343 E C -0.247 176.233 176.600 -0.200 0.000 1.007 343 E CA 0.881 56.795 56.400 -0.809 0.000 0.845 343 E CB -0.193 28.858 29.700 -1.081 0.000 0.766 343 E HN 0.432 nan 8.360 nan 0.000 0.507 344 W N 0.795 122.077 121.300 -0.030 0.000 2.554 344 W HA 0.257 4.997 4.660 0.134 0.000 0.324 344 W C 0.194 176.809 176.519 0.161 0.000 1.018 344 W CA -1.599 55.798 57.345 0.086 0.000 1.243 344 W CB 0.929 30.481 29.460 0.154 0.000 1.345 344 W HN -0.095 nan 8.180 nan 0.000 0.441 345 D N 1.948 122.541 120.400 0.322 0.000 2.190 345 D HA -0.167 4.548 4.640 0.125 0.000 0.200 345 D C 1.997 178.341 176.300 0.073 0.000 0.992 345 D CA 1.642 55.770 54.000 0.214 0.000 0.854 345 D CB -0.120 40.773 40.800 0.156 0.000 0.936 345 D HN 0.405 nan 8.370 nan 0.000 0.462 346 A N 0.029 122.803 122.820 -0.075 0.000 2.070 346 A HA -0.117 4.278 4.320 0.125 0.000 0.220 346 A C 1.143 178.284 177.584 -0.739 0.000 1.159 346 A CA 0.896 52.627 52.037 -0.509 0.000 0.656 346 A CB -0.468 18.015 19.000 -0.861 0.000 0.800 346 A HN 0.229 nan 8.150 nan 0.000 0.453 347 F N -2.504 117.585 119.950 0.231 0.000 2.814 347 F HA 0.499 5.100 4.527 0.124 0.000 0.326 347 F C 1.437 177.393 175.800 0.261 0.000 1.159 347 F CA 0.173 58.320 58.000 0.244 0.000 1.234 347 F CB 0.300 39.464 39.000 0.272 0.000 1.016 347 F HN 0.130 nan 8.300 nan 0.000 0.510 348 A N -0.405 122.627 122.820 0.353 0.000 2.303 348 A HA 0.132 4.527 4.320 0.125 0.000 0.217 348 A C 2.058 179.823 177.584 0.302 0.000 1.205 348 A CA 0.084 52.366 52.037 0.408 0.000 0.875 348 A CB -0.064 19.235 19.000 0.497 0.000 0.910 348 A HN 0.194 nan 8.150 nan 0.000 0.501 349 K N 0.045 120.557 120.400 0.187 0.000 2.059 349 K HA -0.194 4.201 4.320 0.125 0.000 0.212 349 K C 2.057 178.720 176.600 0.105 0.000 1.050 349 K CA 1.566 57.911 56.287 0.096 0.000 0.927 349 K CB -0.373 32.161 32.500 0.057 0.000 0.714 349 K HN 0.473 nan 8.250 nan 0.000 0.447 350 G N 0.297 109.193 108.800 0.160 0.000 2.418 350 G HA2 -0.252 3.783 3.960 0.125 0.000 0.217 350 G HA3 -0.252 3.783 3.960 0.125 0.000 0.217 350 G C 1.484 176.492 174.900 0.180 0.000 1.158 350 G CA 1.409 46.595 45.100 0.143 0.000 0.771 350 G HN 0.248 nan 8.290 nan 0.000 0.545 351 T N 0.596 115.332 114.554 0.304 0.000 2.746 351 T HA -0.088 4.337 4.350 0.125 0.000 0.267 351 T C 2.314 177.271 174.700 0.428 0.000 1.039 351 T CA 1.671 64.042 62.100 0.451 0.000 1.142 351 T CB -0.125 69.083 68.868 0.566 0.000 0.866 351 T HN 0.358 nan 8.240 nan 0.000 0.444 352 K N 1.897 122.425 120.400 0.212 0.000 2.057 352 K HA 0.084 4.479 4.320 0.125 0.000 0.207 352 K C 2.285 178.822 176.600 -0.104 0.000 1.049 352 K CA 1.481 57.632 56.287 -0.227 0.000 0.931 352 K CB -0.776 31.372 32.500 -0.588 0.000 0.714 352 K HN 0.227 nan 8.250 nan 0.000 0.440 353 A N 0.690 123.481 122.820 -0.048 0.000 1.908 353 A HA -0.137 4.259 4.320 0.125 0.000 0.218 353 A C 2.119 179.672 177.584 -0.053 0.000 1.181 353 A CA 1.696 53.700 52.037 -0.054 0.000 0.627 353 A CB -0.800 18.178 19.000 -0.037 0.000 0.818 353 A HN 0.376 nan 8.150 nan 0.000 0.445 354 L N -1.154 120.043 121.223 -0.043 0.000 2.046 354 L HA -0.138 4.277 4.340 0.125 0.000 0.208 354 L C 2.451 179.222 176.870 -0.165 0.000 1.077 354 L CA 2.668 57.395 54.840 -0.188 0.000 0.747 354 L CB -0.630 41.224 42.059 -0.341 0.000 0.896 354 L HN 0.493 nan 8.230 nan 0.000 0.432 355 M N -0.446 119.219 119.600 0.108 0.000 2.080 355 M HA -0.215 4.340 4.480 0.125 0.000 0.260 355 M C 1.717 178.086 176.300 0.115 0.000 1.068 355 M CA 1.889 57.368 55.300 0.299 0.000 1.109 355 M CB -0.649 32.234 32.600 0.472 0.000 1.342 355 M HN 0.253 nan 8.290 nan 0.000 0.405 356 D N 0.076 120.489 120.400 0.023 0.000 2.104 356 D HA -0.174 4.541 4.640 0.125 0.000 0.194 356 D C 1.986 178.277 176.300 -0.015 0.000 0.994 356 D CA 1.546 55.538 54.000 -0.013 0.000 0.830 356 D CB -0.242 40.524 40.800 -0.056 0.000 0.959 356 D HN 0.457 nan 8.370 nan 0.000 0.452 357 E N 0.106 120.280 120.200 -0.044 0.000 2.106 357 E HA -0.079 4.347 4.350 0.125 0.000 0.192 357 E C 2.413 178.987 176.600 -0.043 0.000 0.984 357 E CA 0.304 56.671 56.400 -0.056 0.000 0.806 357 E CB -0.292 29.352 29.700 -0.093 0.000 0.750 357 E HN 0.200 nan 8.360 nan 0.000 0.458 358 V N 1.161 121.048 119.914 -0.045 0.000 2.358 358 V HA -0.187 4.008 4.120 0.125 0.000 0.246 358 V C 2.576 178.698 176.094 0.048 0.000 1.047 358 V CA 1.132 63.429 62.300 -0.005 0.000 1.035 358 V CB -0.455 31.379 31.823 0.017 0.000 0.658 358 V HN 0.052 nan 8.190 nan 0.000 0.452 359 V N 0.169 120.123 119.914 0.067 0.000 2.392 359 V HA -0.313 3.882 4.120 0.125 0.000 0.249 359 V C 2.449 178.565 176.094 0.036 0.000 1.059 359 V CA 2.373 64.712 62.300 0.064 0.000 1.051 359 V CB -0.701 31.162 31.823 0.068 0.000 0.658 359 V HN 0.571 nan 8.190 nan 0.000 0.455 360 K N 0.238 120.649 120.400 0.018 0.000 2.097 360 K HA -0.159 4.236 4.320 0.125 0.000 0.206 360 K C 2.131 178.737 176.600 0.009 0.000 1.049 360 K CA 1.494 57.785 56.287 0.007 0.000 0.933 360 K CB -0.236 32.260 32.500 -0.007 0.000 0.717 360 K HN 0.447 nan 8.250 nan 0.000 0.442 361 A N 0.507 123.333 122.820 0.011 0.000 1.969 361 A HA -0.088 4.307 4.320 0.125 0.000 0.218 361 A C 2.071 179.670 177.584 0.024 0.000 1.169 361 A CA 1.867 53.913 52.037 0.015 0.000 0.635 361 A CB -0.731 18.279 19.000 0.016 0.000 0.810 361 A HN 0.408 nan 8.150 nan 0.000 0.445 362 T N 0.064 114.639 114.554 0.035 0.000 2.708 362 T HA -0.117 4.308 4.350 0.125 0.000 0.266 362 T C 2.213 176.929 174.700 0.026 0.000 1.037 362 T CA 1.699 63.822 62.100 0.039 0.000 1.146 362 T CB -0.350 68.549 68.868 0.052 0.000 0.865 362 T HN 0.452 nan 8.240 nan 0.000 0.435 363 S N 1.773 117.486 115.700 0.022 0.000 2.383 363 S HA -0.075 4.471 4.470 0.125 0.000 0.229 363 S C 1.521 176.127 174.600 0.009 0.000 1.030 363 S CA 0.955 59.164 58.200 0.014 0.000 1.002 363 S CB -0.437 62.770 63.200 0.012 0.000 0.829 363 S HN 0.588 nan 8.310 nan 0.000 0.467 364 N N 0.278 118.983 118.700 0.009 0.000 2.375 364 N HA 0.287 5.102 4.740 0.125 0.000 0.220 364 N C 0.968 176.480 175.510 0.004 0.000 1.170 364 N CA 0.276 53.328 53.050 0.005 0.000 0.833 364 N CB 0.374 38.864 38.487 0.003 0.000 1.069 364 N HN 0.440 nan 8.380 nan 0.000 0.479 365 G N 0.272 109.075 108.800 0.004 0.000 2.199 365 G HA2 -0.314 3.721 3.960 0.125 0.000 0.254 365 G HA3 -0.314 3.721 3.960 0.125 0.000 0.254 365 G C 0.357 175.256 174.900 -0.002 0.000 0.982 365 G CA -0.047 45.052 45.100 -0.002 0.000 0.632 365 G HN 0.493 nan 8.290 nan 0.000 0.529 366 C N 1.890 121.196 119.300 0.010 0.000 2.585 366 C HA 0.595 5.130 4.460 0.125 0.000 0.406 366 C C 1.284 176.287 174.990 0.022 0.000 1.312 366 C CA -0.348 58.680 59.018 0.015 0.000 1.924 366 C CB -0.073 27.686 27.740 0.030 0.000 2.578 366 C HN 0.552 nan 8.230 nan 0.000 0.580 367 V N 7.409 127.326 119.914 0.004 0.000 2.488 367 V HA 0.344 4.540 4.120 0.125 0.000 0.277 367 V C 0.777 176.910 176.094 0.064 0.000 1.046 367 V CA 0.242 62.553 62.300 0.017 0.000 0.986 367 V CB 1.365 33.145 31.823 -0.071 0.000 0.989 367 V HN 1.013 nan 8.190 nan 0.000 0.475 368 T N 4.060 118.683 114.554 0.115 0.000 2.792 368 T HA 0.763 5.188 4.350 0.125 0.000 0.280 368 T C -0.712 174.083 174.700 0.158 0.000 0.990 368 T CA -0.521 61.662 62.100 0.138 0.000 0.960 368 T CB 1.145 70.093 68.868 0.134 0.000 0.939 368 T HN 0.319 nan 8.240 nan 0.000 0.439 369 I N 3.527 124.194 120.570 0.161 0.000 2.433 369 I HA 0.501 4.746 4.170 0.125 0.000 0.292 369 I C -0.386 175.824 176.117 0.155 0.000 1.001 369 I CA -1.162 60.206 61.300 0.112 0.000 1.119 369 I CB 1.748 39.761 38.000 0.021 0.000 1.289 369 I HN 0.541 nan 8.210 nan 0.000 0.438 370 I N 4.224 124.839 120.570 0.075 0.000 2.441 370 I HA 0.424 4.669 4.170 0.125 0.000 0.295 370 I C 0.815 176.965 176.117 0.054 0.000 0.994 370 I CA -0.607 60.725 61.300 0.053 0.000 1.144 370 I CB 1.939 39.904 38.000 -0.058 0.000 1.314 370 I HN 0.630 nan 8.210 nan 0.000 0.445 371 G N 2.880 111.707 108.800 0.046 0.000 2.491 371 G HA2 0.250 4.285 3.960 0.125 0.000 0.242 371 G HA3 0.250 4.285 3.960 0.125 0.000 0.242 371 G C 1.002 175.892 174.900 -0.017 0.000 1.266 371 G CA -0.092 45.054 45.100 0.077 0.000 0.844 371 G HN 0.927 nan 8.290 nan 0.000 0.571 372 G N 0.819 109.643 108.800 0.041 0.000 2.559 372 G HA2 0.194 4.229 3.960 0.125 0.000 0.216 372 G HA3 0.194 4.229 3.960 0.125 0.000 0.216 372 G C 1.177 176.045 174.900 -0.053 0.000 1.126 372 G CA 1.117 46.216 45.100 -0.001 0.000 0.778 372 G HN 0.903 nan 8.290 nan 0.000 0.543 373 G N 0.616 109.374 108.800 -0.069 0.000 3.048 373 G HA2 0.096 4.131 3.960 0.125 0.000 0.151 373 G HA3 0.096 4.131 3.960 0.125 0.000 0.151 373 G C 0.905 175.722 174.900 -0.138 0.000 1.803 373 G CA 0.594 45.647 45.100 -0.078 0.000 1.047 373 G HN 0.088 nan 8.290 nan 0.000 0.513 374 D N -0.202 120.109 120.400 -0.148 0.000 2.221 374 D HA -0.061 4.654 4.640 0.125 0.000 0.204 374 D C 2.738 178.689 176.300 -0.581 0.000 0.982 374 D CA 1.502 55.348 54.000 -0.257 0.000 0.857 374 D CB -0.266 40.452 40.800 -0.138 0.000 0.934 374 D HN 0.288 nan 8.370 nan 0.000 0.475 375 T N -0.324 113.920 114.554 -0.517 0.000 2.896 375 T HA 0.015 4.440 4.350 0.125 0.000 0.263 375 T C 2.038 176.420 174.700 -0.531 0.000 1.050 375 T CA 1.052 62.732 62.100 -0.699 0.000 1.140 375 T CB -0.174 68.239 68.868 -0.758 0.000 0.877 375 T HN 0.151 nan 8.240 nan 0.000 0.457 376 A N 2.155 124.768 122.820 -0.346 0.000 2.015 376 A HA -0.080 4.315 4.320 0.125 0.000 0.219 376 A C 2.581 180.017 177.584 -0.247 0.000 1.163 376 A CA 1.887 53.771 52.037 -0.254 0.000 0.646 376 A CB -1.101 17.798 19.000 -0.169 0.000 0.806 376 A HN 0.629 nan 8.150 nan 0.000 0.448 377 T N -4.106 110.283 114.554 -0.276 0.000 3.014 377 T HA -0.104 4.321 4.350 0.125 0.000 0.263 377 T C 1.788 176.275 174.700 -0.354 0.000 1.078 377 T CA 1.155 63.114 62.100 -0.236 0.000 1.135 377 T CB -0.962 67.821 68.868 -0.142 0.000 0.895 377 T HN 0.355 nan 8.240 nan 0.000 0.480 378 C N 1.130 120.109 119.300 -0.536 0.000 2.425 378 C HA -0.026 4.509 4.460 0.125 0.000 0.277 378 C C 3.134 177.836 174.990 -0.480 0.000 1.280 378 C CA 0.237 58.810 59.018 -0.743 0.000 1.744 378 C CB -1.512 25.756 27.740 -0.786 0.000 1.989 378 C HN 0.709 nan 8.230 nan 0.000 0.491 379 C N 0.582 119.725 119.300 -0.261 0.000 2.432 379 C HA -0.007 4.528 4.460 0.125 0.000 0.280 379 C C 2.973 177.920 174.990 -0.072 0.000 1.353 379 C CA 1.066 60.037 59.018 -0.079 0.000 1.766 379 C CB -1.549 26.141 27.740 -0.083 0.000 1.924 379 C HN 0.724 nan 8.230 nan 0.000 0.509 380 A N 0.440 123.171 122.820 -0.148 0.000 1.874 380 A HA -0.152 4.243 4.320 0.125 0.000 0.214 380 A C 2.230 179.749 177.584 -0.107 0.000 1.189 380 A CA 1.518 53.493 52.037 -0.104 0.000 0.615 380 A CB -0.551 18.384 19.000 -0.109 0.000 0.830 380 A HN 0.601 nan 8.150 nan 0.000 0.443 381 K N -1.678 118.570 120.400 -0.254 0.000 2.211 381 K HA -0.152 4.243 4.320 0.125 0.000 0.204 381 K C 0.040 176.576 176.600 -0.107 0.000 1.047 381 K CA 1.214 57.318 56.287 -0.305 0.000 0.935 381 K CB -0.093 32.024 32.500 -0.638 0.000 0.728 381 K HN 0.708 nan 8.250 nan 0.000 0.452 382 W N 0.567 121.886 121.300 0.031 0.000 2.128 382 W HA 0.356 5.096 4.660 0.134 0.000 0.356 382 W C 0.337 176.870 176.519 0.023 0.000 0.891 382 W CA -0.499 56.866 57.345 0.035 0.000 2.408 382 W CB -0.586 28.903 29.460 0.048 0.000 1.234 382 W HN 0.174 nan 8.180 nan 0.000 0.597 383 G N 2.047 110.952 108.800 0.175 0.000 2.467 383 G HA2 -0.361 3.674 3.960 0.125 0.000 0.302 383 G HA3 -0.361 3.674 3.960 0.125 0.000 0.302 383 G C 0.801 175.762 174.900 0.101 0.000 0.930 383 G CA 1.574 46.737 45.100 0.105 0.000 1.008 383 G HN 0.273 nan 8.290 nan 0.000 0.512 384 T N -3.399 111.225 114.554 0.116 0.000 3.134 384 T HA 0.311 4.736 4.350 0.125 0.000 0.260 384 T C 1.429 176.159 174.700 0.050 0.000 1.027 384 T CA 0.542 62.702 62.100 0.100 0.000 0.913 384 T CB 0.311 69.272 68.868 0.155 0.000 1.046 384 T HN 0.509 nan 8.240 nan 0.000 0.553 385 E N 1.784 121.994 120.200 0.017 0.000 2.331 385 E HA -0.122 4.303 4.350 0.125 0.000 0.199 385 E C 0.826 177.410 176.600 -0.025 0.000 1.008 385 E CA 0.931 57.315 56.400 -0.027 0.000 0.843 385 E CB -0.007 29.668 29.700 -0.041 0.000 0.761 385 E HN 0.568 nan 8.360 nan 0.000 0.507 386 D N -0.485 119.915 120.400 0.001 0.000 2.431 386 D HA 0.047 4.762 4.640 0.125 0.000 0.213 386 D C 0.916 177.226 176.300 0.017 0.000 1.130 386 D CA 0.108 54.109 54.000 0.002 0.000 0.834 386 D CB 0.555 41.357 40.800 0.005 0.000 0.985 386 D HN -0.003 nan 8.370 nan 0.000 0.504 387 K N 0.570 120.988 120.400 0.030 0.000 2.358 387 K HA 0.156 4.551 4.320 0.125 0.000 0.200 387 K C 0.873 177.504 176.600 0.052 0.000 1.030 387 K CA 0.128 56.440 56.287 0.043 0.000 1.097 387 K CB 1.743 34.276 32.500 0.055 0.000 0.862 387 K HN 0.071 nan 8.250 nan 0.000 0.534 388 V N -2.313 117.629 119.914 0.047 0.000 2.919 388 V HA 0.379 4.574 4.120 0.125 0.000 0.316 388 V C 1.310 177.433 176.094 0.049 0.000 1.077 388 V CA -0.761 61.576 62.300 0.062 0.000 0.977 388 V CB 1.867 33.735 31.823 0.075 0.000 1.039 388 V HN -0.103 nan 8.190 nan 0.000 0.441 389 S N 0.294 116.049 115.700 0.091 0.000 2.382 389 S HA -0.068 4.477 4.470 0.125 0.000 0.228 389 S C 0.443 175.044 174.600 0.001 0.000 1.027 389 S CA 2.089 60.379 58.200 0.150 0.000 0.991 389 S CB -0.450 62.933 63.200 0.305 0.000 0.823 389 S HN 1.071 nan 8.310 nan 0.000 0.469 390 H N -1.163 117.771 119.070 -0.227 0.000 3.123 390 H HA 0.483 5.110 4.556 0.118 0.000 0.346 390 H C -1.905 173.263 175.328 -0.267 0.000 1.138 390 H CA -0.533 55.236 56.048 -0.465 0.000 1.273 390 H CB 1.114 30.251 29.762 -1.040 0.000 1.926 390 H HN -0.113 nan 8.280 nan 0.000 0.524 391 V N 4.294 123.724 119.914 -0.806 0.000 2.304 391 V HA 0.263 4.458 4.120 0.125 0.000 0.278 391 V C 0.374 176.060 176.094 -0.680 0.000 1.018 391 V CA -0.648 61.328 62.300 -0.540 0.000 0.814 391 V CB 1.049 32.685 31.823 -0.311 0.000 1.021 391 V HN 0.892 nan 8.190 nan 0.000 0.440 392 S N 3.443 118.885 115.700 -0.430 0.000 2.563 392 S HA -0.023 4.522 4.470 0.125 0.000 0.294 392 S C 1.504 176.062 174.600 -0.069 0.000 1.279 392 S CA 0.505 58.626 58.200 -0.132 0.000 1.069 392 S CB 0.621 63.965 63.200 0.239 0.000 0.828 392 S HN 1.044 nan 8.310 nan 0.000 0.497 393 T N 1.881 116.439 114.554 0.006 0.000 3.169 393 T HA 0.367 4.792 4.350 0.125 0.000 0.250 393 T C 0.571 175.358 174.700 0.145 0.000 1.111 393 T CA 0.129 62.261 62.100 0.054 0.000 1.010 393 T CB -0.044 68.868 68.868 0.072 0.000 0.984 393 T HN 0.765 nan 8.240 nan 0.000 0.537 394 G N -0.739 108.197 108.800 0.227 0.000 2.618 394 G HA2 0.539 4.574 3.960 0.125 0.000 0.280 394 G HA3 0.539 4.574 3.960 0.125 0.000 0.280 394 G C 0.632 175.569 174.900 0.060 0.000 1.458 394 G CA -0.178 45.008 45.100 0.144 0.000 1.224 394 G HN 0.196 nan 8.290 nan 0.000 0.576 395 G N 1.930 110.723 108.800 -0.012 0.000 2.511 395 G HA2 0.056 4.092 3.960 0.125 0.000 0.216 395 G HA3 0.056 4.092 3.960 0.125 0.000 0.216 395 G C 1.913 176.741 174.900 -0.120 0.000 1.218 395 G CA 1.630 46.706 45.100 -0.040 0.000 0.788 395 G HN 1.152 nan 8.290 nan 0.000 0.560 396 G N 1.116 109.808 108.800 -0.180 0.000 2.513 396 G HA2 -0.056 3.979 3.960 0.125 0.000 0.219 396 G HA3 -0.056 3.979 3.960 0.125 0.000 0.219 396 G C 2.051 176.545 174.900 -0.677 0.000 1.160 396 G CA 1.890 46.810 45.100 -0.300 0.000 0.767 396 G HN 0.764 nan 8.290 nan 0.000 0.571 397 A N 1.032 123.267 122.820 -0.975 0.000 1.897 397 A HA 0.046 4.441 4.320 0.125 0.000 0.215 397 A C 2.748 180.070 177.584 -0.436 0.000 1.181 397 A CA 2.373 53.841 52.037 -0.949 0.000 0.620 397 A CB -0.696 17.445 19.000 -1.431 0.000 0.821 397 A HN 0.761 nan 8.150 nan 0.000 0.443 398 S N -0.134 115.466 115.700 -0.168 0.000 2.399 398 S HA -0.144 4.401 4.470 0.125 0.000 0.231 398 S C 1.806 176.267 174.600 -0.233 0.000 1.022 398 S CA 1.393 59.490 58.200 -0.171 0.000 0.983 398 S CB -0.579 62.649 63.200 0.048 0.000 0.803 398 S HN 0.443 nan 8.310 nan 0.000 0.480 399 L N 1.942 123.081 121.223 -0.140 0.000 2.056 399 L HA 0.048 4.463 4.340 0.125 0.000 0.207 399 L C 2.419 179.246 176.870 -0.072 0.000 1.078 399 L CA 1.791 56.585 54.840 -0.076 0.000 0.749 399 L CB -0.745 41.288 42.059 -0.044 0.000 0.901 399 L HN 0.262 nan 8.230 nan 0.000 0.433 400 E N -0.412 119.735 120.200 -0.089 0.000 2.072 400 E HA -0.224 4.201 4.350 0.125 0.000 0.191 400 E C 2.301 178.864 176.600 -0.062 0.000 0.985 400 E CA 1.331 57.703 56.400 -0.047 0.000 0.801 400 E CB -0.307 29.386 29.700 -0.012 0.000 0.750 400 E HN 0.525 nan 8.360 nan 0.000 0.452 401 L N 0.946 122.097 121.223 -0.121 0.000 1.989 401 L HA -0.203 4.213 4.340 0.125 0.000 0.211 401 L C 2.403 179.221 176.870 -0.088 0.000 1.071 401 L CA 1.111 55.881 54.840 -0.116 0.000 0.749 401 L CB -0.128 41.792 42.059 -0.232 0.000 0.890 401 L HN 0.157 nan 8.230 nan 0.000 0.431 402 L N -0.792 120.354 121.223 -0.128 0.000 2.362 402 L HA -0.180 4.235 4.340 0.125 0.000 0.219 402 L C 1.996 178.883 176.870 0.030 0.000 1.134 402 L CA 0.783 55.622 54.840 -0.002 0.000 0.807 402 L CB -0.263 41.817 42.059 0.036 0.000 0.927 402 L HN 0.325 nan 8.230 nan 0.000 0.447 403 E N -0.518 119.685 120.200 0.006 0.000 2.478 403 E HA 0.037 4.462 4.350 0.125 0.000 0.194 403 E C 1.425 178.039 176.600 0.024 0.000 1.045 403 E CA 0.488 56.900 56.400 0.020 0.000 0.868 403 E CB 0.321 30.028 29.700 0.012 0.000 0.885 403 E HN 0.483 nan 8.360 nan 0.000 0.505 404 G N 1.739 110.553 108.800 0.023 0.000 2.175 404 G HA2 -0.269 3.766 3.960 0.125 0.000 0.244 404 G HA3 -0.269 3.766 3.960 0.125 0.000 0.244 404 G C 0.172 175.084 174.900 0.019 0.000 0.982 404 G CA -0.038 45.079 45.100 0.028 0.000 0.641 404 G HN 0.112 nan 8.290 nan 0.000 0.527 405 K N 0.092 120.499 120.400 0.011 0.000 2.168 405 K HA 0.508 4.903 4.320 0.125 0.000 0.258 405 K C 0.675 177.279 176.600 0.007 0.000 1.010 405 K CA -0.662 55.629 56.287 0.007 0.000 0.929 405 K CB 0.780 33.281 32.500 0.003 0.000 0.998 405 K HN 0.065 nan 8.250 nan 0.000 0.479 406 I N 2.608 123.181 120.570 0.005 0.000 2.474 406 I HA 0.067 4.312 4.170 0.125 0.000 0.287 406 I C 0.102 176.219 176.117 0.000 0.000 1.048 406 I CA -0.291 61.013 61.300 0.007 0.000 1.383 406 I CB 0.556 38.559 38.000 0.004 0.000 1.412 406 I HN 0.313 nan 8.210 nan 0.000 0.531 407 L N 9.086 130.313 121.223 0.006 0.000 2.272 407 L HA 0.248 4.663 4.340 0.125 0.000 0.284 407 L C -1.161 175.708 176.870 -0.002 0.000 1.045 407 L CA -1.334 53.504 54.840 -0.004 0.000 0.842 407 L CB 1.121 43.181 42.059 0.000 0.000 1.224 407 L HN 0.285 nan 8.230 nan 0.000 0.430 408 P HA -0.187 nan 4.420 nan 0.000 0.215 408 P C 1.475 178.774 177.300 -0.001 0.000 1.163 408 P CA 1.636 64.725 63.100 -0.018 0.000 0.894 408 P CB 0.373 32.048 31.700 -0.043 0.000 0.791 409 G N -0.170 108.625 108.800 -0.008 0.000 2.475 409 G HA2 -0.230 3.805 3.960 0.125 0.000 0.220 409 G HA3 -0.230 3.805 3.960 0.125 0.000 0.220 409 G C 1.700 176.640 174.900 0.067 0.000 1.125 409 G CA 0.981 46.098 45.100 0.030 0.000 0.755 409 G HN 0.238 nan 8.290 nan 0.000 0.565 410 V N 0.438 120.388 119.914 0.059 0.000 2.346 410 V HA -0.037 4.158 4.120 0.125 0.000 0.244 410 V C 2.580 178.713 176.094 0.065 0.000 1.037 410 V CA 1.562 63.911 62.300 0.082 0.000 1.029 410 V CB -0.261 31.619 31.823 0.095 0.000 0.663 410 V HN 0.243 nan 8.190 nan 0.000 0.454 411 E N 0.685 120.912 120.200 0.045 0.000 2.333 411 E HA -0.092 4.333 4.350 0.125 0.000 0.198 411 E C 2.141 178.760 176.600 0.033 0.000 1.007 411 E CA 1.173 57.594 56.400 0.035 0.000 0.845 411 E CB -0.353 29.360 29.700 0.022 0.000 0.766 411 E HN 0.583 nan 8.360 nan 0.000 0.507 412 A N 0.558 123.401 122.820 0.037 0.000 2.067 412 A HA -0.017 4.378 4.320 0.125 0.000 0.217 412 A C 1.107 178.725 177.584 0.056 0.000 1.156 412 A CA 0.002 52.057 52.037 0.030 0.000 0.683 412 A CB -0.048 18.962 19.000 0.017 0.000 0.808 412 A HN 0.091 nan 8.150 nan 0.000 0.455 413 L N 0.876 122.150 121.223 0.086 0.000 2.483 413 L HA 0.151 4.566 4.340 0.125 0.000 0.275 413 L C 0.846 177.757 176.870 0.069 0.000 1.220 413 L CA 0.225 55.126 54.840 0.103 0.000 0.833 413 L CB 0.465 42.581 42.059 0.095 0.000 1.102 413 L HN 0.228 nan 8.230 nan 0.000 0.490 414 S N 2.195 117.936 115.700 0.068 0.000 2.614 414 S HA 0.368 4.913 4.470 0.125 0.000 0.265 414 S C 0.373 174.996 174.600 0.038 0.000 1.303 414 S CA -0.765 57.463 58.200 0.047 0.000 1.000 414 S CB 0.755 63.982 63.200 0.045 0.000 0.935 414 S HN 0.619 nan 8.310 nan 0.000 0.551 415 N N 0.404 119.121 118.700 0.029 0.000 2.929 415 N HA 0.561 5.376 4.740 0.125 0.000 0.301 415 N C -0.188 175.334 175.510 0.021 0.000 1.344 415 N CA -0.178 52.887 53.050 0.025 0.000 0.726 415 N CB 0.015 38.514 38.487 0.020 0.000 1.192 415 N HN 0.650 nan 8.380 nan 0.000 0.444 416 M N 0.000 119.610 119.600 0.017 0.000 2.572 416 M HA 0.000 4.555 4.480 0.125 0.000 0.227 416 M CA 0.000 55.309 55.300 0.015 0.000 0.988 416 M CB 0.000 32.609 32.600 0.015 0.000 1.302 416 M HN 0.000 nan 8.290 nan 0.000 0.411