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 2zj0_1_A DATA FIRST_RESID 10 DATA SEQUENCE SLTPDVRNGI DFKIADLSLA DFGRKELRIA EHEMPGLMSL RREYAEVQPL DATA SEQUENCE KGARISGSLH MTVQTAVLIE TLTALGAEVR WASCNIFSTQ DHAAAAVVVG DATA SEQUENCE PHGTPDEPKG VPVFAWKGET LEEYWWAAEQ MLTWPDPDKP ANMILDDGGD DATA SEQUENCE ATMLVLRGMQ YEKAGVVPPA EEDDPAEWKV FLNLLRTRFE TDKDKWTKIA DATA SEQUENCE ESVKGVTEET TTGVLRLYQF AAAGDLAFPA INVNDSVTKS KFDNKYGTRH DATA SEQUENCE SLIDGINRGT DALIGGKKVL ICGYGDVGKG CAEAMKGQGA RVSVTEIDPI DATA SEQUENCE NALQAMMEGF DVVTVEEAIG DADIVVTATG NKDIIMLEHI KAMKDHAILG DATA SEQUENCE NIGHFDNEID MAGLERSGAT RVNVKPQVDL WTFGDTGRSI IVLSEGRLLN DATA SEQUENCE LGNATGHPSF VMSNSFANQT IAQIELWTKN DEYDNEVYRL PKHLDEKVAR DATA SEQUENCE IHVEALGGHL TKLTKEQAEY LGVDVEGPYK PDHYRY 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.496 174.600 -0.173 0.000 1.055 10 S CA 0.000 58.143 58.200 -0.096 0.000 1.107 10 S CB 0.000 63.169 63.200 -0.052 0.000 0.593 11 L N 3.724 124.759 121.223 -0.313 0.000 2.290 11 L HA 0.721 5.061 4.340 0.000 0.000 0.284 11 L C 0.569 177.208 176.870 -0.384 0.000 1.078 11 L CA -0.166 54.346 54.840 -0.548 0.000 0.815 11 L CB 1.535 42.943 42.059 -1.085 0.000 1.162 11 L HN 0.897 nan 8.230 nan 0.000 0.435 12 T N 1.534 115.987 114.554 -0.169 0.000 2.909 12 T HA 0.598 4.948 4.350 0.000 0.000 0.299 12 T C -2.656 172.184 174.700 0.233 0.000 1.073 12 T CA -1.822 60.362 62.100 0.139 0.000 0.999 12 T CB 2.060 70.964 68.868 0.060 0.000 1.098 12 T HN 0.256 nan 8.240 nan 0.000 0.477 13 P HA 0.344 nan 4.420 nan 0.000 0.272 13 P C -0.941 176.347 177.300 -0.020 0.000 1.254 13 P CA -0.183 63.095 63.100 0.297 0.000 0.795 13 P CB 0.492 32.359 31.700 0.278 0.000 1.022 14 D N -0.780 119.433 120.400 -0.310 0.000 2.228 14 D HA 0.429 5.069 4.640 0.000 0.000 0.247 14 D C -0.678 175.264 176.300 -0.596 0.000 0.995 14 D CA -0.287 53.381 54.000 -0.552 0.000 0.903 14 D CB 1.781 42.035 40.800 -0.910 0.000 1.205 14 D HN 0.003 nan 8.370 nan 0.000 0.459 15 V N 2.042 121.793 119.914 -0.271 0.000 2.525 15 V HA 0.482 4.603 4.120 0.000 0.000 0.299 15 V C -0.293 175.857 176.094 0.093 0.000 1.034 15 V CA -0.859 61.416 62.300 -0.042 0.000 0.863 15 V CB 1.780 33.603 31.823 -0.000 0.000 0.999 15 V HN 0.358 nan 8.190 nan 0.000 0.423 16 R N 3.871 124.542 120.500 0.285 0.000 2.483 16 R HA 0.444 4.784 4.340 0.000 0.000 0.303 16 R C 0.057 176.446 176.300 0.148 0.000 0.987 16 R CA -0.676 55.558 56.100 0.224 0.000 0.881 16 R CB 1.238 31.709 30.300 0.285 0.000 1.177 16 R HN 0.827 nan 8.270 nan 0.000 0.451 17 N N 1.197 119.949 118.700 0.086 0.000 2.782 17 N HA -0.208 4.532 4.740 0.000 0.000 0.251 17 N C 0.628 176.168 175.510 0.050 0.000 1.101 17 N CA 1.895 54.977 53.050 0.053 0.000 0.764 17 N CB -0.923 37.586 38.487 0.036 0.000 1.122 17 N HN 1.085 nan 8.380 nan 0.000 0.561 18 G N -1.477 107.360 108.800 0.062 0.000 2.194 18 G HA2 -0.265 3.695 3.960 0.000 0.000 0.236 18 G HA3 -0.265 3.695 3.960 0.000 0.000 0.236 18 G C 0.109 175.046 174.900 0.062 0.000 0.987 18 G CA 0.171 45.302 45.100 0.051 0.000 0.635 18 G HN 0.478 nan 8.290 nan 0.000 0.520 19 I N 3.401 124.028 120.570 0.094 0.000 2.297 19 I HA 0.291 4.461 4.170 0.000 0.000 0.291 19 I C -0.097 176.170 176.117 0.250 0.000 1.033 19 I CA -0.881 60.490 61.300 0.118 0.000 1.253 19 I CB 0.873 38.911 38.000 0.063 0.000 1.396 19 I HN 0.244 nan 8.210 nan 0.000 0.476 20 D N 7.662 128.162 120.400 0.166 0.000 2.304 20 D HA 0.493 5.133 4.640 0.000 0.000 0.247 20 D C -0.508 175.883 176.300 0.152 0.000 1.089 20 D CA -0.110 53.980 54.000 0.150 0.000 0.910 20 D CB 1.606 42.494 40.800 0.147 0.000 1.199 20 D HN 0.385 nan 8.370 nan 0.000 0.426 21 F N -2.294 117.584 119.950 -0.120 0.000 2.799 21 F HA 0.606 5.133 4.527 0.000 0.000 0.316 21 F C -1.651 174.141 175.800 -0.013 0.000 1.155 21 F CA -1.326 56.383 58.000 -0.485 0.000 0.916 21 F CB 1.453 40.241 39.000 -0.353 0.000 1.294 21 F HN 0.203 nan 8.300 nan 0.000 0.447 22 K N 2.732 123.246 120.400 0.189 0.000 2.578 22 K HA 0.743 5.064 4.320 0.000 0.000 0.250 22 K C -1.495 175.383 176.600 0.462 0.000 0.955 22 K CA -0.447 56.062 56.287 0.370 0.000 0.825 22 K CB 1.375 34.321 32.500 0.744 0.000 1.151 22 K HN 0.877 nan 8.250 nan 0.000 0.432 23 I N -0.235 120.536 120.570 0.334 0.000 3.279 23 I HA 0.733 4.903 4.170 0.000 0.000 0.315 23 I C 0.565 176.751 176.117 0.115 0.000 1.187 23 I CA -1.089 60.404 61.300 0.322 0.000 0.953 23 I CB 1.926 40.086 38.000 0.267 0.000 1.279 23 I HN 0.427 nan 8.210 nan 0.000 0.465 24 A N 0.895 123.815 122.820 0.166 0.000 1.835 24 A HA -0.021 4.299 4.320 0.000 0.000 0.215 24 A C 0.525 178.139 177.584 0.051 0.000 1.199 24 A CA 2.201 54.280 52.037 0.070 0.000 0.615 24 A CB -0.468 18.633 19.000 0.168 0.000 0.838 24 A HN 0.880 nan 8.150 nan 0.000 0.444 25 D N -2.775 117.680 120.400 0.090 0.000 2.688 25 D HA 0.316 4.956 4.640 0.000 0.000 0.210 25 D C -0.098 176.244 176.300 0.071 0.000 1.333 25 D CA -0.537 53.508 54.000 0.076 0.000 0.920 25 D CB 1.029 41.874 40.800 0.075 0.000 1.554 25 D HN -0.053 nan 8.370 nan 0.000 0.579 26 L N 3.176 124.432 121.223 0.055 0.000 2.313 26 L HA 0.018 4.358 4.340 0.000 0.000 0.214 26 L C 2.174 179.053 176.870 0.016 0.000 1.119 26 L CA 1.773 56.615 54.840 0.004 0.000 0.809 26 L CB -0.481 41.573 42.059 -0.008 0.000 0.933 26 L HN 0.549 nan 8.230 nan 0.000 0.449 27 S N -1.203 114.521 115.700 0.040 0.000 2.465 27 S HA -0.164 4.306 4.470 0.000 0.000 0.241 27 S C 1.797 176.443 174.600 0.077 0.000 1.000 27 S CA 0.956 59.184 58.200 0.047 0.000 0.964 27 S CB -0.707 62.520 63.200 0.044 0.000 0.763 27 S HN 0.516 nan 8.310 nan 0.000 0.512 28 L N 0.690 121.974 121.223 0.101 0.000 2.552 28 L HA 0.159 4.499 4.340 0.000 0.000 0.227 28 L C 2.938 179.901 176.870 0.155 0.000 1.146 28 L CA 0.480 55.425 54.840 0.175 0.000 0.858 28 L CB -0.802 41.381 42.059 0.206 0.000 0.969 28 L HN 0.439 nan 8.230 nan 0.000 0.451 29 A N 0.728 123.588 122.820 0.067 0.000 1.892 29 A HA -0.273 4.047 4.320 0.000 0.000 0.218 29 A C 1.910 179.528 177.584 0.057 0.000 1.188 29 A CA 2.282 54.331 52.037 0.020 0.000 0.631 29 A CB -0.463 18.520 19.000 -0.028 0.000 0.822 29 A HN 0.350 nan 8.150 nan 0.000 0.447 30 D N -1.149 119.305 120.400 0.090 0.000 2.097 30 D HA -0.123 4.517 4.640 0.000 0.000 0.195 30 D C 1.599 178.012 176.300 0.188 0.000 0.989 30 D CA 1.122 55.184 54.000 0.103 0.000 0.827 30 D CB -0.552 40.296 40.800 0.080 0.000 0.966 30 D HN 0.375 nan 8.370 nan 0.000 0.456 31 F N 2.056 122.039 119.950 0.054 0.000 2.015 31 F HA -0.199 4.328 4.527 0.000 0.000 0.297 31 F C 2.357 178.265 175.800 0.179 0.000 1.141 31 F CA 2.033 60.088 58.000 0.092 0.000 1.192 31 F CB -1.067 37.978 39.000 0.075 0.000 0.957 31 F HN 0.025 nan 8.300 nan 0.000 0.491 32 G N 0.158 109.000 108.800 0.069 0.000 2.649 32 G HA2 -0.436 3.524 3.960 0.000 0.000 0.220 32 G HA3 -0.436 3.524 3.960 0.000 0.000 0.220 32 G C 1.828 176.666 174.900 -0.103 0.000 1.189 32 G CA 1.462 46.461 45.100 -0.168 0.000 0.777 32 G HN 0.356 nan 8.290 nan 0.000 0.602 33 R N 0.860 121.341 120.500 -0.032 0.000 2.113 33 R HA -0.062 4.278 4.340 0.000 0.000 0.244 33 R C 2.558 178.868 176.300 0.017 0.000 1.142 33 R CA 1.991 58.076 56.100 -0.024 0.000 0.953 33 R CB -0.663 29.631 30.300 -0.010 0.000 0.860 33 R HN 0.478 nan 8.270 nan 0.000 0.438 34 K N -0.010 120.438 120.400 0.080 0.000 2.026 34 K HA -0.134 4.186 4.320 0.000 0.000 0.208 34 K C 2.124 178.776 176.600 0.086 0.000 1.048 34 K CA 1.891 58.240 56.287 0.103 0.000 0.929 34 K CB -0.147 32.457 32.500 0.173 0.000 0.713 34 K HN 0.322 nan 8.250 nan 0.000 0.439 35 E N 0.521 120.769 120.200 0.080 0.000 2.077 35 E HA -0.204 4.146 4.350 0.000 0.000 0.193 35 E C 2.037 178.642 176.600 0.008 0.000 0.989 35 E CA 0.979 57.407 56.400 0.046 0.000 0.800 35 E CB -0.103 29.610 29.700 0.021 0.000 0.746 35 E HN 0.089 nan 8.360 nan 0.000 0.452 36 L N 0.978 122.177 121.223 -0.041 0.000 2.013 36 L HA -0.240 4.100 4.340 0.000 0.000 0.212 36 L C 2.402 179.278 176.870 0.010 0.000 1.073 36 L CA 1.760 56.574 54.840 -0.043 0.000 0.753 36 L CB -0.458 41.549 42.059 -0.087 0.000 0.890 36 L HN 0.015 nan 8.230 nan 0.000 0.432 37 R N -0.718 119.799 120.500 0.029 0.000 2.091 37 R HA -0.153 4.187 4.340 0.000 0.000 0.238 37 R C 2.320 178.717 176.300 0.162 0.000 1.136 37 R CA 1.587 57.736 56.100 0.082 0.000 0.959 37 R CB -0.537 29.806 30.300 0.073 0.000 0.856 37 R HN 0.316 nan 8.270 nan 0.000 0.437 38 I N 0.535 121.168 120.570 0.106 0.000 2.226 38 I HA -0.291 3.879 4.170 0.000 0.000 0.245 38 I C 2.594 178.800 176.117 0.148 0.000 1.100 38 I CA 1.333 62.690 61.300 0.095 0.000 1.374 38 I CB -0.381 37.651 38.000 0.053 0.000 1.057 38 I HN 0.217 nan 8.210 nan 0.000 0.413 39 A N 0.445 123.329 122.820 0.107 0.000 1.940 39 A HA -0.254 4.066 4.320 0.000 0.000 0.219 39 A C 2.171 179.819 177.584 0.107 0.000 1.176 39 A CA 1.864 53.958 52.037 0.096 0.000 0.631 39 A CB -0.657 18.374 19.000 0.051 0.000 0.814 39 A HN 0.489 nan 8.150 nan 0.000 0.446 40 E N -1.090 119.166 120.200 0.093 0.000 2.160 40 E HA -0.235 4.115 4.350 0.000 0.000 0.195 40 E C 1.737 178.345 176.600 0.012 0.000 0.991 40 E CA 1.419 57.841 56.400 0.037 0.000 0.810 40 E CB -0.319 29.375 29.700 -0.009 0.000 0.742 40 E HN 0.825 nan 8.360 nan 0.000 0.466 41 H N 0.114 119.212 119.070 0.046 0.000 2.489 41 H HA -0.010 4.546 4.556 0.000 0.000 0.293 41 H C 1.339 176.729 175.328 0.103 0.000 1.066 41 H CA 0.916 56.998 56.048 0.057 0.000 1.305 41 H CB 0.314 30.103 29.762 0.045 0.000 1.386 41 H HN 0.004 nan 8.280 nan 0.000 0.551 42 E N -0.257 120.084 120.200 0.235 0.000 2.501 42 E HA 0.145 4.495 4.350 0.000 0.000 0.201 42 E C -0.218 176.555 176.600 0.289 0.000 1.016 42 E CA 0.150 56.742 56.400 0.319 0.000 0.920 42 E CB 0.575 30.425 29.700 0.250 0.000 1.023 42 E HN 0.490 nan 8.360 nan 0.000 0.474 43 M N 1.100 120.779 119.600 0.131 0.000 2.746 43 M HA 0.239 4.719 4.480 0.000 0.000 0.209 43 M C -2.103 174.178 176.300 -0.031 0.000 1.077 43 M CA -1.483 53.840 55.300 0.038 0.000 0.695 43 M CB 1.407 34.039 32.600 0.053 0.000 1.416 43 M HN -0.261 nan 8.290 nan 0.000 0.459 44 P HA -0.011 nan 4.420 nan 0.000 0.223 44 P C 1.497 178.658 177.300 -0.232 0.000 1.151 44 P CA 1.104 64.098 63.100 -0.176 0.000 0.787 44 P CB 0.136 31.707 31.700 -0.215 0.000 0.788 45 G N 0.758 109.389 108.800 -0.283 0.000 2.453 45 G HA2 -0.208 3.752 3.960 0.000 0.000 0.215 45 G HA3 -0.208 3.752 3.960 0.000 0.000 0.215 45 G C 1.557 176.451 174.900 -0.010 0.000 1.201 45 G CA 0.549 45.587 45.100 -0.104 0.000 0.784 45 G HN 0.223 nan 8.290 nan 0.000 0.545 46 L N -0.034 121.200 121.223 0.019 0.000 2.093 46 L HA -0.043 4.298 4.340 0.000 0.000 0.208 46 L C 3.093 179.966 176.870 0.005 0.000 1.085 46 L CA 0.592 55.452 54.840 0.032 0.000 0.755 46 L CB -0.297 41.791 42.059 0.048 0.000 0.904 46 L HN 0.143 nan 8.230 nan 0.000 0.435 47 M N -0.810 118.775 119.600 -0.024 0.000 2.117 47 M HA -0.183 4.297 4.480 0.000 0.000 0.262 47 M C 2.620 178.901 176.300 -0.031 0.000 1.065 47 M CA 1.658 56.936 55.300 -0.037 0.000 1.114 47 M CB -1.381 31.180 32.600 -0.065 0.000 1.361 47 M HN 0.218 nan 8.290 nan 0.000 0.408 48 S N 0.336 116.012 115.700 -0.040 0.000 2.399 48 S HA -0.045 4.425 4.470 0.000 0.000 0.231 48 S C 1.975 176.577 174.600 0.003 0.000 1.022 48 S CA 0.777 58.957 58.200 -0.034 0.000 0.983 48 S CB -0.102 63.066 63.200 -0.054 0.000 0.803 48 S HN 0.463 nan 8.310 nan 0.000 0.480 49 L N 0.371 121.620 121.223 0.045 0.000 2.141 49 L HA 0.008 4.348 4.340 0.000 0.000 0.209 49 L C 2.906 179.868 176.870 0.152 0.000 1.094 49 L CA 1.023 55.946 54.840 0.137 0.000 0.763 49 L CB -0.356 41.791 42.059 0.145 0.000 0.908 49 L HN 0.265 nan 8.230 nan 0.000 0.437 50 R N -0.283 120.259 120.500 0.071 0.000 2.066 50 R HA -0.107 4.233 4.340 0.000 0.000 0.232 50 R C 2.481 178.806 176.300 0.043 0.000 1.131 50 R CA 1.290 57.422 56.100 0.053 0.000 0.955 50 R CB -0.172 30.135 30.300 0.012 0.000 0.851 50 R HN 0.257 nan 8.270 nan 0.000 0.432 51 R N 0.339 120.845 120.500 0.011 0.000 2.080 51 R HA -0.193 4.147 4.340 0.000 0.000 0.236 51 R C 2.324 178.603 176.300 -0.035 0.000 1.137 51 R CA 1.822 57.915 56.100 -0.012 0.000 0.943 51 R CB -0.304 29.979 30.300 -0.028 0.000 0.846 51 R HN 0.375 nan 8.270 nan 0.000 0.431 52 E N -0.223 119.932 120.200 -0.075 0.000 2.204 52 E HA -0.182 4.168 4.350 0.000 0.000 0.194 52 E C 0.472 176.861 176.600 -0.352 0.000 0.989 52 E CA 1.062 57.322 56.400 -0.234 0.000 0.824 52 E CB 0.190 29.698 29.700 -0.320 0.000 0.756 52 E HN 0.404 nan 8.360 nan 0.000 0.477 53 Y N -0.967 119.337 120.300 0.007 0.000 2.612 53 Y HA 0.430 4.980 4.550 0.000 0.000 0.250 53 Y C 1.636 177.541 175.900 0.009 0.000 1.175 53 Y CA 0.064 58.171 58.100 0.012 0.000 1.205 53 Y CB 0.470 38.939 38.460 0.016 0.000 1.201 53 Y HN 0.140 nan 8.280 nan 0.000 0.532 54 A N 0.923 123.807 122.820 0.106 0.000 1.865 54 A HA -0.247 4.073 4.320 0.000 0.000 0.217 54 A C 2.119 179.738 177.584 0.059 0.000 1.191 54 A CA 2.342 54.418 52.037 0.066 0.000 0.623 54 A CB -0.398 18.621 19.000 0.032 0.000 0.826 54 A HN 0.593 nan 8.150 nan 0.000 0.444 55 E N -0.469 119.761 120.200 0.050 0.000 2.318 55 E HA 0.025 4.376 4.350 0.000 0.000 0.193 55 E C 1.306 177.945 176.600 0.064 0.000 0.998 55 E CA 0.973 57.400 56.400 0.045 0.000 0.859 55 E CB -0.221 29.495 29.700 0.026 0.000 0.812 55 E HN 0.311 nan 8.360 nan 0.000 0.492 56 V N 1.073 121.046 119.914 0.099 0.000 3.217 56 V HA -0.129 3.991 4.120 0.000 0.000 0.264 56 V C 0.612 176.779 176.094 0.121 0.000 1.135 56 V CA 0.521 62.895 62.300 0.125 0.000 1.142 56 V CB -0.728 31.213 31.823 0.197 0.000 0.754 56 V HN 0.261 nan 8.190 nan 0.000 0.484 57 Q N -0.704 119.162 119.800 0.110 0.000 2.431 57 Q HA -0.210 4.130 4.340 0.000 0.000 0.344 57 Q C -1.197 174.850 176.000 0.079 0.000 1.384 57 Q CA 1.077 56.926 55.803 0.077 0.000 0.984 57 Q CB -1.284 27.489 28.738 0.058 0.000 1.204 57 Q HN 0.509 nan 8.270 nan 0.000 0.392 58 P HA -0.128 nan 4.420 nan 0.000 0.222 58 P C 1.037 178.406 177.300 0.115 0.000 1.147 58 P CA 0.918 64.057 63.100 0.065 0.000 0.790 58 P CB 0.185 31.825 31.700 -0.099 0.000 0.780 59 L N -1.248 119.980 121.223 0.008 0.000 2.700 59 L HA 0.199 4.540 4.340 0.000 0.000 0.234 59 L C 0.962 177.738 176.870 -0.158 0.000 1.156 59 L CA -0.325 54.431 54.840 -0.140 0.000 0.946 59 L CB -0.285 41.633 42.059 -0.235 0.000 1.216 59 L HN -0.192 nan 8.230 nan 0.000 0.493 60 K N 0.695 121.107 120.400 0.021 0.000 2.491 60 K HA 0.146 4.466 4.320 0.000 0.000 0.279 60 K C 1.218 177.883 176.600 0.108 0.000 1.026 60 K CA 1.013 57.325 56.287 0.041 0.000 1.070 60 K CB 0.326 32.872 32.500 0.077 0.000 0.887 60 K HN 0.286 nan 8.250 nan 0.000 0.481 61 G N 1.625 110.427 108.800 0.004 0.000 2.195 61 G HA2 -0.305 3.655 3.960 0.000 0.000 0.246 61 G HA3 -0.305 3.655 3.960 0.000 0.000 0.246 61 G C 0.134 174.884 174.900 -0.251 0.000 0.984 61 G CA 0.012 45.139 45.100 0.046 0.000 0.633 61 G HN 0.834 nan 8.290 nan 0.000 0.525 62 A N 0.575 122.945 122.820 -0.749 0.000 2.454 62 A HA 0.677 4.997 4.320 0.000 0.000 0.260 62 A C 0.693 177.869 177.584 -0.679 0.000 1.106 62 A CA 0.134 51.416 52.037 -1.258 0.000 0.780 62 A CB 0.155 18.301 19.000 -1.424 0.000 1.044 62 A HN 0.475 nan 8.150 nan 0.000 0.498 63 R N 2.985 123.044 120.500 -0.735 0.000 2.287 63 R HA 0.359 4.699 4.340 0.000 0.000 0.316 63 R C -1.115 174.847 176.300 -0.564 0.000 1.050 63 R CA -0.098 55.473 56.100 -0.882 0.000 0.983 63 R CB 0.819 30.077 30.300 -1.737 0.000 1.140 63 R HN 0.703 nan 8.270 nan 0.000 0.528 64 I N 1.699 122.232 120.570 -0.063 0.000 2.312 64 I HA 0.155 4.325 4.170 0.000 0.000 0.291 64 I C 0.174 176.480 176.117 0.314 0.000 1.031 64 I CA -0.255 61.078 61.300 0.055 0.000 1.293 64 I CB 1.524 39.547 38.000 0.039 0.000 1.403 64 I HN 0.346 nan 8.210 nan 0.000 0.484 65 S N 4.653 120.472 115.700 0.199 0.000 2.465 65 S HA 0.503 4.973 4.470 0.000 0.000 0.279 65 S C 0.386 174.825 174.600 -0.268 0.000 1.201 65 S CA -0.581 57.682 58.200 0.105 0.000 1.053 65 S CB 1.187 64.490 63.200 0.173 0.000 0.953 65 S HN 0.826 nan 8.310 nan 0.000 0.488 66 G N 1.297 109.641 108.800 -0.761 0.000 2.470 66 G HA2 0.511 4.471 3.960 0.000 0.000 0.320 66 G HA3 0.511 4.471 3.960 0.000 0.000 0.320 66 G C -0.840 173.193 174.900 -1.446 0.000 1.245 66 G CA -0.495 43.645 45.100 -1.601 0.000 0.935 66 G HN 0.562 nan 8.290 nan 0.000 0.476 67 S N 2.404 117.616 115.700 -0.813 0.000 2.667 67 S HA 0.705 5.175 4.470 0.000 0.000 0.304 67 S C -0.747 173.650 174.600 -0.339 0.000 1.135 67 S CA -0.633 57.255 58.200 -0.520 0.000 1.125 67 S CB -0.142 62.881 63.200 -0.295 0.000 0.996 67 S HN 0.588 nan 8.310 nan 0.000 0.474 68 L N 4.555 125.637 121.223 -0.236 0.000 2.643 68 L HA 0.391 4.732 4.340 0.000 0.000 0.257 68 L C -0.808 176.132 176.870 0.116 0.000 0.922 68 L CA -0.826 53.994 54.840 -0.034 0.000 0.909 68 L CB 1.533 43.714 42.059 0.203 0.000 1.424 68 L HN 0.695 nan 8.230 nan 0.000 0.422 69 H N 4.096 123.297 119.070 0.218 0.000 3.223 69 H HA -0.115 4.441 4.556 0.000 0.000 0.287 69 H C 0.244 175.699 175.328 0.212 0.000 0.910 69 H CA 0.269 56.429 56.048 0.186 0.000 1.406 69 H CB 0.418 30.268 29.762 0.147 0.000 1.377 69 H HN 0.387 nan 8.280 nan 0.000 0.556 70 M N 4.539 124.307 119.600 0.280 0.000 3.436 70 M HA 0.040 4.520 4.480 0.000 0.000 0.240 70 M C -0.039 176.321 176.300 0.101 0.000 1.469 70 M CA -0.320 55.092 55.300 0.185 0.000 1.622 70 M CB -0.915 31.792 32.600 0.179 0.000 1.098 70 M HN 0.632 nan 8.290 nan 0.000 0.568 71 T N -1.562 113.049 114.554 0.096 0.000 2.937 71 T HA 0.479 4.829 4.350 0.000 0.000 0.283 71 T C 1.153 175.828 174.700 -0.042 0.000 1.012 71 T CA -0.948 61.180 62.100 0.046 0.000 0.997 71 T CB 0.938 69.873 68.868 0.112 0.000 1.136 71 T HN 0.114 nan 8.240 nan 0.000 0.551 72 V N 1.424 121.289 119.914 -0.082 0.000 2.324 72 V HA -0.204 3.916 4.120 0.000 0.000 0.250 72 V C 2.872 178.954 176.094 -0.020 0.000 1.060 72 V CA 2.051 64.285 62.300 -0.110 0.000 1.042 72 V CB -1.102 30.666 31.823 -0.092 0.000 0.650 72 V HN 0.804 nan 8.190 nan 0.000 0.450 73 Q N -0.363 119.482 119.800 0.075 0.000 2.119 73 Q HA -0.133 4.207 4.340 0.000 0.000 0.201 73 Q C 2.315 178.493 176.000 0.296 0.000 0.972 73 Q CA 2.123 58.044 55.803 0.197 0.000 0.847 73 Q CB -0.947 27.921 28.738 0.216 0.000 0.903 73 Q HN 0.619 nan 8.270 nan 0.000 0.433 74 T N 0.578 115.259 114.554 0.212 0.000 2.777 74 T HA -0.103 4.247 4.350 0.000 0.000 0.266 74 T C 1.858 176.370 174.700 -0.313 0.000 1.040 74 T CA 1.177 63.225 62.100 -0.087 0.000 1.141 74 T CB -0.443 68.414 68.868 -0.018 0.000 0.868 74 T HN 0.415 nan 8.240 nan 0.000 0.444 75 A N 1.143 123.817 122.820 -0.243 0.000 1.917 75 A HA -0.103 4.217 4.320 0.000 0.000 0.219 75 A C 2.546 179.979 177.584 -0.251 0.000 1.182 75 A CA 1.622 53.480 52.037 -0.298 0.000 0.633 75 A CB -1.081 17.777 19.000 -0.237 0.000 0.819 75 A HN 0.378 nan 8.150 nan 0.000 0.448 76 V N -0.267 119.560 119.914 -0.144 0.000 2.515 76 V HA -0.212 3.908 4.120 0.000 0.000 0.250 76 V C 2.464 178.479 176.094 -0.132 0.000 1.058 76 V CA 1.805 64.045 62.300 -0.100 0.000 1.064 76 V CB -0.839 30.974 31.823 -0.017 0.000 0.675 76 V HN 0.628 nan 8.190 nan 0.000 0.461 77 L N 0.149 121.254 121.223 -0.196 0.000 2.027 77 L HA -0.080 4.260 4.340 0.000 0.000 0.206 77 L C 2.199 178.858 176.870 -0.351 0.000 1.074 77 L CA 1.803 56.468 54.840 -0.293 0.000 0.745 77 L CB -0.492 41.195 42.059 -0.620 0.000 0.898 77 L HN 0.190 nan 8.230 nan 0.000 0.433 78 I N -0.191 120.068 120.570 -0.519 0.000 2.194 78 I HA -0.314 3.856 4.170 0.000 0.000 0.246 78 I C 2.253 178.171 176.117 -0.330 0.000 1.093 78 I CA 1.801 62.747 61.300 -0.590 0.000 1.355 78 I CB -0.331 37.171 38.000 -0.830 0.000 1.046 78 I HN 0.417 nan 8.210 nan 0.000 0.413 79 E N -0.407 119.636 120.200 -0.262 0.000 2.385 79 E HA -0.074 4.276 4.350 0.000 0.000 0.194 79 E C 2.014 178.538 176.600 -0.127 0.000 1.013 79 E CA 0.823 57.116 56.400 -0.179 0.000 0.866 79 E CB 0.120 29.719 29.700 -0.168 0.000 0.832 79 E HN 0.454 nan 8.360 nan 0.000 0.500 80 T N 1.736 116.216 114.554 -0.122 0.000 2.737 80 T HA -0.104 4.246 4.350 0.000 0.000 0.265 80 T C 1.956 176.610 174.700 -0.076 0.000 1.038 80 T CA 0.812 62.866 62.100 -0.077 0.000 1.144 80 T CB -0.143 68.689 68.868 -0.060 0.000 0.866 80 T HN 0.110 nan 8.240 nan 0.000 0.434 81 L N 1.344 122.502 121.223 -0.108 0.000 2.131 81 L HA -0.108 4.232 4.340 0.000 0.000 0.210 81 L C 2.993 179.810 176.870 -0.088 0.000 1.092 81 L CA 1.593 56.373 54.840 -0.098 0.000 0.759 81 L CB -1.207 40.793 42.059 -0.099 0.000 0.903 81 L HN 0.466 nan 8.230 nan 0.000 0.435 82 T N -3.172 111.329 114.554 -0.089 0.000 2.978 82 T HA 0.065 4.415 4.350 0.000 0.000 0.262 82 T C 1.944 176.615 174.700 -0.048 0.000 1.063 82 T CA 0.573 62.632 62.100 -0.068 0.000 1.140 82 T CB -0.222 68.601 68.868 -0.075 0.000 0.886 82 T HN 0.248 nan 8.240 nan 0.000 0.470 83 A N 1.185 123.977 122.820 -0.047 0.000 2.186 83 A HA 0.243 4.563 4.320 0.000 0.000 0.219 83 A C 2.028 179.610 177.584 -0.003 0.000 1.159 83 A CA 0.880 52.904 52.037 -0.022 0.000 0.680 83 A CB -0.736 18.252 19.000 -0.020 0.000 0.787 83 A HN 0.611 nan 8.150 nan 0.000 0.467 84 L N -2.557 118.656 121.223 -0.017 0.000 2.906 84 L HA 0.342 4.682 4.340 0.000 0.000 0.255 84 L C 1.401 178.256 176.870 -0.026 0.000 1.166 84 L CA 0.471 55.307 54.840 -0.007 0.000 0.977 84 L CB 0.404 42.448 42.059 -0.025 0.000 1.313 84 L HN 0.501 nan 8.230 nan 0.000 0.549 85 G N 0.286 109.065 108.800 -0.036 0.000 2.211 85 G HA2 -0.193 3.767 3.960 0.000 0.000 0.201 85 G HA3 -0.193 3.767 3.960 0.000 0.000 0.201 85 G C 0.368 175.219 174.900 -0.081 0.000 0.997 85 G CA -0.117 44.960 45.100 -0.039 0.000 0.652 85 G HN 0.389 nan 8.290 nan 0.000 0.500 86 A N 0.185 122.937 122.820 -0.113 0.000 2.371 86 A HA 0.703 5.023 4.320 0.000 0.000 0.257 86 A C 0.250 177.801 177.584 -0.056 0.000 1.089 86 A CA 0.180 52.125 52.037 -0.153 0.000 0.794 86 A CB 0.483 19.372 19.000 -0.184 0.000 1.029 86 A HN 0.419 nan 8.150 nan 0.000 0.488 87 E N -0.487 119.703 120.200 -0.016 0.000 2.248 87 E HA 0.506 4.856 4.350 0.000 0.000 0.272 87 E C -0.510 176.288 176.600 0.330 0.000 1.008 87 E CA -0.520 55.980 56.400 0.167 0.000 0.856 87 E CB 1.853 31.729 29.700 0.294 0.000 1.120 87 E HN 0.678 nan 8.360 nan 0.000 0.397 88 V N 0.055 120.167 119.914 0.331 0.000 3.078 88 V HA 0.721 4.842 4.120 0.000 0.000 0.311 88 V C -1.139 175.021 176.094 0.111 0.000 1.138 88 V CA -0.871 61.650 62.300 0.367 0.000 1.007 88 V CB 2.144 34.157 31.823 0.315 0.000 1.045 88 V HN 0.634 nan 8.190 nan 0.000 0.432 89 R N 2.627 123.211 120.500 0.141 0.000 2.621 89 R HA 0.538 4.878 4.340 0.000 0.000 0.284 89 R C -1.873 174.551 176.300 0.207 0.000 0.998 89 R CA -0.461 55.626 56.100 -0.021 0.000 0.895 89 R CB 2.287 32.329 30.300 -0.430 0.000 1.195 89 R HN 0.880 nan 8.270 nan 0.000 0.450 90 W N 1.721 123.023 121.300 0.004 0.000 2.883 90 W HA 0.703 5.363 4.660 0.000 0.000 0.335 90 W C -1.418 175.145 176.519 0.073 0.000 1.083 90 W CA -0.420 56.927 57.345 0.004 0.000 1.233 90 W CB 2.303 31.728 29.460 -0.057 0.000 1.412 90 W HN 0.672 nan 8.180 nan 0.000 0.490 91 A N 2.451 125.190 122.820 -0.134 0.000 2.498 91 A HA 0.559 4.879 4.320 0.000 0.000 0.298 91 A C -0.767 176.751 177.584 -0.110 0.000 1.075 91 A CA -0.485 51.524 52.037 -0.047 0.000 0.714 91 A CB 1.858 20.750 19.000 -0.180 0.000 1.299 91 A HN 0.379 nan 8.150 nan 0.000 0.407 92 S N -0.574 115.120 115.700 -0.011 0.000 2.572 92 S HA 0.203 4.673 4.470 0.000 0.000 0.279 92 S C 1.108 175.650 174.600 -0.097 0.000 1.341 92 S CA 0.089 58.291 58.200 0.004 0.000 1.043 92 S CB 0.016 63.259 63.200 0.072 0.000 0.887 92 S HN 1.569 nan 8.310 nan 0.000 0.516 93 C N 3.791 123.043 119.300 -0.081 0.000 2.625 93 C HA 0.500 4.960 4.460 0.000 0.000 0.285 93 C C 0.481 175.571 174.990 0.166 0.000 1.279 93 C CA -1.009 58.028 59.018 0.032 0.000 1.698 93 C CB -2.068 25.627 27.740 -0.075 0.000 1.821 93 C HN 0.733 nan 8.230 nan 0.000 0.600 94 N N 0.754 119.564 118.700 0.183 0.000 2.331 94 N HA 0.342 5.083 4.740 0.000 0.000 0.280 94 N C 0.547 176.053 175.510 -0.006 0.000 1.155 94 N CA -0.400 52.671 53.050 0.034 0.000 0.822 94 N CB 1.736 40.290 38.487 0.111 0.000 1.619 94 N HN 0.373 nan 8.380 nan 0.000 0.476 95 I N -0.906 119.504 120.570 -0.266 0.000 2.830 95 I HA 0.069 4.239 4.170 0.000 0.000 0.263 95 I C 0.106 176.122 176.117 -0.169 0.000 1.230 95 I CA 0.974 62.086 61.300 -0.313 0.000 1.480 95 I CB -0.169 37.528 38.000 -0.505 0.000 1.095 95 I HN 0.209 nan 8.210 nan 0.000 0.455 96 F N 1.272 121.235 119.950 0.023 0.000 2.678 96 F HA 0.241 4.768 4.527 0.000 0.000 0.305 96 F C 2.470 178.303 175.800 0.056 0.000 1.090 96 F CA -0.184 57.840 58.000 0.040 0.000 1.272 96 F CB -0.607 38.412 39.000 0.033 0.000 1.060 96 F HN 0.157 nan 8.300 nan 0.000 0.576 97 S N -1.750 114.081 115.700 0.219 0.000 2.496 97 S HA 0.015 4.485 4.470 0.000 0.000 0.224 97 S C 0.988 175.695 174.600 0.178 0.000 0.996 97 S CA 0.138 58.447 58.200 0.182 0.000 0.927 97 S CB -0.883 62.494 63.200 0.294 0.000 0.774 97 S HN 0.105 nan 8.310 nan 0.000 0.524 98 T N 3.181 117.843 114.554 0.181 0.000 2.916 98 T HA 0.181 4.531 4.350 0.000 0.000 0.303 98 T C -0.324 174.473 174.700 0.161 0.000 1.025 98 T CA 0.160 62.359 62.100 0.166 0.000 1.142 98 T CB 0.668 69.636 68.868 0.166 0.000 0.947 98 T HN 0.411 nan 8.240 nan 0.000 0.544 99 Q N 2.410 122.285 119.800 0.124 0.000 2.398 99 Q HA 0.169 4.509 4.340 0.000 0.000 0.251 99 Q C 0.385 176.458 176.000 0.122 0.000 0.999 99 Q CA -0.651 55.235 55.803 0.137 0.000 0.874 99 Q CB 1.074 29.853 28.738 0.069 0.000 1.215 99 Q HN 0.554 nan 8.270 nan 0.000 0.470 100 D N 1.447 121.978 120.400 0.219 0.000 2.123 100 D HA -0.216 4.424 4.640 0.000 0.000 0.196 100 D C 1.728 178.120 176.300 0.153 0.000 0.992 100 D CA 1.433 55.552 54.000 0.197 0.000 0.833 100 D CB 0.070 41.003 40.800 0.222 0.000 0.954 100 D HN 0.690 nan 8.370 nan 0.000 0.455 101 H N 0.513 119.575 119.070 -0.012 0.000 2.489 101 H HA 0.075 4.631 4.556 0.000 0.000 0.295 101 H C 1.667 176.910 175.328 -0.142 0.000 1.082 101 H CA 1.430 57.419 56.048 -0.100 0.000 1.295 101 H CB -0.428 29.145 29.762 -0.314 0.000 1.380 101 H HN 0.098 nan 8.280 nan 0.000 0.548 102 A N 1.633 124.122 122.820 -0.551 0.000 1.903 102 A HA 0.286 4.606 4.320 0.000 0.000 0.213 102 A C 2.828 180.274 177.584 -0.230 0.000 1.185 102 A CA 1.435 53.203 52.037 -0.448 0.000 0.628 102 A CB -0.946 17.800 19.000 -0.423 0.000 0.830 102 A HN 0.558 nan 8.150 nan 0.000 0.446 103 A N 0.400 123.144 122.820 -0.127 0.000 1.884 103 A HA -0.010 4.310 4.320 0.000 0.000 0.219 103 A C 2.524 180.043 177.584 -0.107 0.000 1.197 103 A CA 2.684 54.681 52.037 -0.067 0.000 0.637 103 A CB -1.218 17.813 19.000 0.051 0.000 0.827 103 A HN 1.132 nan 8.150 nan 0.000 0.450 104 A N -0.403 122.368 122.820 -0.082 0.000 1.865 104 A HA 0.105 4.425 4.320 0.000 0.000 0.217 104 A C 2.547 180.045 177.584 -0.145 0.000 1.191 104 A CA 2.522 54.501 52.037 -0.096 0.000 0.623 104 A CB -1.149 17.839 19.000 -0.020 0.000 0.826 104 A HN 1.235 nan 8.150 nan 0.000 0.444 105 A N -0.781 121.953 122.820 -0.144 0.000 1.969 105 A HA 0.068 4.388 4.320 0.000 0.000 0.218 105 A C 2.200 179.676 177.584 -0.180 0.000 1.169 105 A CA 1.662 53.610 52.037 -0.149 0.000 0.635 105 A CB -0.783 18.124 19.000 -0.155 0.000 0.810 105 A HN 0.393 nan 8.150 nan 0.000 0.445 106 V N -0.348 119.442 119.914 -0.205 0.000 2.358 106 V HA -0.211 3.909 4.120 0.000 0.000 0.246 106 V C 2.548 178.506 176.094 -0.228 0.000 1.047 106 V CA 1.960 64.124 62.300 -0.227 0.000 1.035 106 V CB -0.793 30.871 31.823 -0.265 0.000 0.658 106 V HN 0.374 nan 8.190 nan 0.000 0.452 107 V N -0.327 119.431 119.914 -0.261 0.000 2.358 107 V HA -0.192 3.928 4.120 0.000 0.000 0.246 107 V C 2.400 178.323 176.094 -0.285 0.000 1.047 107 V CA 1.729 63.827 62.300 -0.336 0.000 1.035 107 V CB -0.446 31.020 31.823 -0.594 0.000 0.658 107 V HN 0.405 nan 8.190 nan 0.000 0.452 108 V N -0.306 119.465 119.914 -0.239 0.000 2.358 108 V HA 0.224 4.344 4.120 0.000 0.000 0.246 108 V C 1.246 177.260 176.094 -0.135 0.000 1.047 108 V CA 1.376 63.572 62.300 -0.173 0.000 1.035 108 V CB -1.160 30.582 31.823 -0.134 0.000 0.658 108 V HN 0.826 nan 8.190 nan 0.000 0.452 109 G N -0.254 108.457 108.800 -0.149 0.000 2.699 109 G HA2 -0.115 3.845 3.960 0.000 0.000 0.686 109 G HA3 -0.115 3.845 3.960 0.000 0.000 0.686 109 G C -1.593 173.203 174.900 -0.173 0.000 1.301 109 G CA -0.183 44.827 45.100 -0.149 0.000 0.816 109 G HN 0.178 nan 8.290 nan 0.000 0.595 110 P HA -0.103 nan 4.420 nan 0.000 0.219 110 P C 0.730 177.756 177.300 -0.457 0.000 1.146 110 P CA 1.698 64.559 63.100 -0.399 0.000 0.808 110 P CB 0.006 31.367 31.700 -0.565 0.000 0.779 111 H N -1.577 117.471 119.070 -0.035 0.000 2.674 111 H HA 0.396 4.953 4.556 0.000 0.000 0.274 111 H C 1.248 176.559 175.328 -0.028 0.000 1.121 111 H CA -0.060 55.972 56.048 -0.026 0.000 1.132 111 H CB 0.315 30.064 29.762 -0.021 0.000 1.606 111 H HN 0.098 nan 8.280 nan 0.000 0.558 112 G N 0.670 109.487 108.800 0.028 0.000 2.531 112 G HA2 0.428 4.388 3.960 0.000 0.000 0.313 112 G HA3 0.428 4.388 3.960 0.000 0.000 0.313 112 G C 0.105 175.003 174.900 -0.004 0.000 1.238 112 G CA -0.205 44.898 45.100 0.005 0.000 0.994 112 G HN 0.233 nan 8.290 nan 0.000 0.493 113 T N -2.879 111.668 114.554 -0.011 0.000 2.910 113 T HA 0.578 4.928 4.350 0.000 0.000 0.287 113 T C -2.023 172.658 174.700 -0.030 0.000 1.050 113 T CA -1.561 60.532 62.100 -0.012 0.000 1.011 113 T CB 2.241 71.110 68.868 0.002 0.000 1.195 113 T HN 0.127 nan 8.240 nan 0.000 0.540 114 P HA -0.061 nan 4.420 nan 0.000 0.216 114 P C 0.766 178.057 177.300 -0.015 0.000 1.150 114 P CA 1.187 64.268 63.100 -0.032 0.000 0.843 114 P CB -0.001 31.693 31.700 -0.010 0.000 0.787 115 D N -1.105 119.295 120.400 0.001 0.000 2.249 115 D HA -0.069 4.571 4.640 0.000 0.000 0.205 115 D C 0.827 177.133 176.300 0.011 0.000 0.962 115 D CA 0.918 54.926 54.000 0.013 0.000 0.860 115 D CB -0.236 40.573 40.800 0.015 0.000 0.955 115 D HN 0.285 nan 8.370 nan 0.000 0.505 116 E N 1.118 121.319 120.200 0.001 0.000 2.969 116 E HA 0.252 4.602 4.350 0.000 0.000 0.213 116 E C -2.730 173.860 176.600 -0.017 0.000 1.107 116 E CA -2.367 54.033 56.400 -0.001 0.000 1.007 116 E CB 1.053 30.756 29.700 0.005 0.000 1.326 116 E HN -0.136 nan 8.360 nan 0.000 0.432 117 P HA 0.168 nan 4.420 nan 0.000 0.276 117 P C -0.404 176.862 177.300 -0.057 0.000 1.235 117 P CA -0.276 62.778 63.100 -0.077 0.000 0.772 117 P CB 1.258 32.876 31.700 -0.137 0.000 0.871 118 K N 1.416 121.778 120.400 -0.063 0.000 2.402 118 K HA 0.287 4.607 4.320 0.000 0.000 0.204 118 K C 1.166 177.726 176.600 -0.066 0.000 1.056 118 K CA -0.085 56.177 56.287 -0.042 0.000 1.069 118 K CB 0.355 32.849 32.500 -0.010 0.000 0.888 118 K HN 0.553 nan 8.250 nan 0.000 0.546 119 G N 0.049 108.783 108.800 -0.109 0.000 2.546 119 G HA2 0.334 4.294 3.960 0.000 0.000 0.239 119 G HA3 0.334 4.294 3.960 0.000 0.000 0.239 119 G C -0.398 174.430 174.900 -0.120 0.000 1.476 119 G CA -0.074 44.946 45.100 -0.133 0.000 1.064 119 G HN 0.065 nan 8.290 nan 0.000 0.561 120 V N -2.863 116.965 119.914 -0.144 0.000 2.919 120 V HA 0.678 4.798 4.120 0.000 0.000 0.316 120 V C -2.579 173.425 176.094 -0.151 0.000 1.077 120 V CA -2.656 59.571 62.300 -0.122 0.000 0.977 120 V CB 1.856 33.619 31.823 -0.101 0.000 1.039 120 V HN 0.525 nan 8.190 nan 0.000 0.441 121 P HA 0.217 nan 4.420 nan 0.000 0.263 121 P C -0.712 176.419 177.300 -0.282 0.000 1.195 121 P CA 0.305 63.273 63.100 -0.219 0.000 0.762 121 P CB 0.864 32.469 31.700 -0.158 0.000 0.799 122 V N 5.110 124.746 119.914 -0.463 0.000 2.638 122 V HA 0.383 4.503 4.120 0.000 0.000 0.306 122 V C -0.423 175.361 176.094 -0.516 0.000 1.052 122 V CA -0.345 61.771 62.300 -0.308 0.000 0.885 122 V CB 1.604 33.364 31.823 -0.107 0.000 0.999 122 V HN 0.262 nan 8.190 nan 0.000 0.424 123 F N 3.437 123.503 119.950 0.194 0.000 2.453 123 F HA 0.832 5.359 4.527 0.000 0.000 0.358 123 F C 0.358 176.289 175.800 0.218 0.000 1.129 123 F CA -0.373 57.769 58.000 0.237 0.000 1.200 123 F CB 1.497 40.527 39.000 0.049 0.000 1.431 123 F HN 0.599 nan 8.300 nan 0.000 0.503 124 A N 2.490 125.590 122.820 0.467 0.000 2.547 124 A HA 0.712 5.032 4.320 0.000 0.000 0.298 124 A C -1.972 175.913 177.584 0.501 0.000 1.062 124 A CA -0.809 51.385 52.037 0.262 0.000 0.748 124 A CB 0.531 19.638 19.000 0.180 0.000 1.288 124 A HN 0.699 nan 8.150 nan 0.000 0.396 125 W N 1.210 122.620 121.300 0.185 0.000 3.137 125 W HA 0.732 5.392 4.660 0.000 0.000 0.324 125 W C -0.642 175.991 176.519 0.190 0.000 1.253 125 W CA -0.965 56.483 57.345 0.170 0.000 1.183 125 W CB 1.121 30.677 29.460 0.161 0.000 1.424 125 W HN 0.751 nan 8.180 nan 0.000 0.566 126 K N 1.788 122.393 120.400 0.341 0.000 2.412 126 K HA 0.432 4.752 4.320 0.000 0.000 0.284 126 K C 0.866 177.680 176.600 0.356 0.000 1.046 126 K CA 1.182 57.640 56.287 0.285 0.000 0.999 126 K CB -0.009 32.642 32.500 0.252 0.000 0.941 126 K HN 1.357 nan 8.250 nan 0.000 0.474 127 G N 3.009 112.038 108.800 0.382 0.000 2.141 127 G HA2 -0.207 3.753 3.960 0.000 0.000 0.195 127 G HA3 -0.207 3.753 3.960 0.000 0.000 0.195 127 G C -0.393 174.714 174.900 0.345 0.000 1.012 127 G CA -0.227 45.141 45.100 0.447 0.000 0.696 127 G HN 0.704 nan 8.290 nan 0.000 0.508 128 E N 0.839 121.057 120.200 0.030 0.000 2.438 128 E HA 0.385 4.736 4.350 0.000 0.000 0.261 128 E C 1.298 177.947 176.600 0.082 0.000 1.103 128 E CA 0.810 57.145 56.400 -0.108 0.000 0.959 128 E CB 0.462 29.882 29.700 -0.467 0.000 0.958 128 E HN 0.499 nan 8.360 nan 0.000 0.447 129 T N -1.244 113.396 114.554 0.144 0.000 2.912 129 T HA 0.251 4.601 4.350 0.000 0.000 0.280 129 T C 1.368 176.136 174.700 0.114 0.000 0.989 129 T CA -0.835 61.347 62.100 0.137 0.000 0.995 129 T CB 0.602 69.570 68.868 0.167 0.000 1.077 129 T HN 0.390 nan 8.240 nan 0.000 0.531 130 L N 0.110 121.403 121.223 0.117 0.000 2.043 130 L HA -0.146 4.194 4.340 0.000 0.000 0.212 130 L C 2.814 179.884 176.870 0.332 0.000 1.075 130 L CA 1.743 56.688 54.840 0.175 0.000 0.752 130 L CB -0.597 41.567 42.059 0.175 0.000 0.891 130 L HN 0.739 nan 8.230 nan 0.000 0.432 131 E N -0.128 120.237 120.200 0.275 0.000 2.072 131 E HA -0.165 4.185 4.350 0.000 0.000 0.190 131 E C 2.044 178.842 176.600 0.329 0.000 0.982 131 E CA 0.834 57.413 56.400 0.299 0.000 0.803 131 E CB -0.060 29.756 29.700 0.194 0.000 0.755 131 E HN 0.427 nan 8.360 nan 0.000 0.453 132 E N -0.163 120.199 120.200 0.270 0.000 2.058 132 E HA -0.238 4.112 4.350 0.000 0.000 0.194 132 E C 1.834 178.593 176.600 0.265 0.000 0.997 132 E CA 1.167 57.753 56.400 0.310 0.000 0.801 132 E CB -0.303 29.609 29.700 0.353 0.000 0.746 132 E HN 0.302 nan 8.360 nan 0.000 0.450 133 Y N -0.139 120.146 120.300 -0.025 0.000 2.102 133 Y HA -0.312 4.238 4.550 0.000 0.000 0.280 133 Y C 1.744 177.531 175.900 -0.187 0.000 1.178 133 Y CA 1.935 59.907 58.100 -0.213 0.000 1.146 133 Y CB -0.350 37.895 38.460 -0.358 0.000 0.968 133 Y HN 0.107 nan 8.280 nan 0.000 0.504 134 W N -1.420 120.051 121.300 0.285 0.000 2.418 134 W HA -0.113 4.547 4.660 0.000 0.000 0.292 134 W C 2.334 178.916 176.519 0.106 0.000 1.213 134 W CA 0.937 58.393 57.345 0.185 0.000 1.283 134 W CB -1.017 28.591 29.460 0.247 0.000 1.119 134 W HN 0.304 nan 8.180 nan 0.000 0.542 135 W N 1.312 122.724 121.300 0.187 0.000 2.333 135 W HA -0.292 4.368 4.660 0.000 0.000 0.316 135 W C 2.416 178.921 176.519 -0.024 0.000 1.215 135 W CA 3.272 60.671 57.345 0.091 0.000 1.278 135 W CB -0.783 28.747 29.460 0.117 0.000 1.154 135 W HN -0.136 nan 8.180 nan 0.000 0.486 136 A N 0.960 123.886 122.820 0.178 0.000 1.892 136 A HA -0.207 4.113 4.320 0.000 0.000 0.218 136 A C 2.111 179.474 177.584 -0.368 0.000 1.188 136 A CA 3.129 55.082 52.037 -0.140 0.000 0.631 136 A CB -1.717 17.293 19.000 0.016 0.000 0.822 136 A HN 0.566 nan 8.150 nan 0.000 0.447 137 A N -0.455 122.145 122.820 -0.367 0.000 1.883 137 A HA -0.217 4.103 4.320 0.000 0.000 0.217 137 A C 2.061 179.545 177.584 -0.166 0.000 1.186 137 A CA 2.016 53.852 52.037 -0.336 0.000 0.624 137 A CB -0.610 18.131 19.000 -0.431 0.000 0.822 137 A HN 0.730 nan 8.150 nan 0.000 0.444 138 E N -0.860 119.283 120.200 -0.096 0.000 2.106 138 E HA -0.230 4.120 4.350 0.000 0.000 0.192 138 E C 2.072 178.479 176.600 -0.321 0.000 0.984 138 E CA 1.150 57.537 56.400 -0.022 0.000 0.806 138 E CB -0.134 29.609 29.700 0.072 0.000 0.750 138 E HN 0.555 nan 8.360 nan 0.000 0.458 139 Q N 0.222 119.590 119.800 -0.720 0.000 2.096 139 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 139 Q C 2.147 177.603 176.000 -0.906 0.000 0.982 139 Q CA 1.468 56.587 55.803 -1.140 0.000 0.850 139 Q CB -0.432 27.038 28.738 -2.114 0.000 0.901 139 Q HN 0.462 nan 8.270 nan 0.000 0.422 140 M N -0.113 119.143 119.600 -0.573 0.000 2.175 140 M HA -0.114 4.366 4.480 0.000 0.000 0.264 140 M C 1.662 177.876 176.300 -0.144 0.000 1.063 140 M CA 1.323 56.500 55.300 -0.205 0.000 1.119 140 M CB -0.242 32.284 32.600 -0.123 0.000 1.377 140 M HN 0.187 nan 8.290 nan 0.000 0.415 141 L N 0.091 121.271 121.223 -0.073 0.000 2.492 141 L HA 0.021 4.361 4.340 0.000 0.000 0.223 141 L C 0.070 177.019 176.870 0.133 0.000 1.132 141 L CA 0.346 55.257 54.840 0.118 0.000 0.850 141 L CB 0.070 42.291 42.059 0.270 0.000 0.966 141 L HN 0.151 nan 8.230 nan 0.000 0.454 142 T N -0.384 114.129 114.554 -0.068 0.000 3.029 142 T HA 0.175 4.525 4.350 0.000 0.000 0.346 142 T C -0.784 173.857 174.700 -0.099 0.000 1.211 142 T CA -0.476 61.568 62.100 -0.093 0.000 1.009 142 T CB -0.053 68.682 68.868 -0.221 0.000 1.084 142 T HN 0.020 nan 8.240 nan 0.000 0.536 143 W N 3.337 124.573 121.300 -0.106 0.000 2.190 143 W HA 0.297 4.957 4.660 0.000 0.000 0.330 143 W C -1.379 175.101 176.519 -0.065 0.000 1.299 143 W CA -1.797 55.509 57.345 -0.066 0.000 1.215 143 W CB -0.055 29.370 29.460 -0.058 0.000 1.147 143 W HN 0.465 nan 8.180 nan 0.000 0.563 144 P HA -0.194 nan 4.420 nan 0.000 0.217 144 P C -0.022 177.313 177.300 0.058 0.000 1.148 144 P CA 1.629 64.761 63.100 0.054 0.000 0.828 144 P CB 0.225 31.961 31.700 0.059 0.000 0.783 145 D N -1.163 119.294 120.400 0.094 0.000 2.349 145 D HA 0.109 4.749 4.640 0.000 0.000 0.232 145 D C -1.707 174.612 176.300 0.032 0.000 1.071 145 D CA -2.665 51.367 54.000 0.053 0.000 0.832 145 D CB 1.279 42.112 40.800 0.055 0.000 1.086 145 D HN -0.011 nan 8.370 nan 0.000 0.504 146 P HA -0.038 nan 4.420 nan 0.000 0.231 146 P C 0.105 177.391 177.300 -0.023 0.000 1.158 146 P CA 0.635 63.721 63.100 -0.023 0.000 0.763 146 P CB 0.632 32.310 31.700 -0.036 0.000 0.805 147 D N -0.396 119.996 120.400 -0.012 0.000 2.389 147 D HA 0.068 4.708 4.640 0.000 0.000 0.206 147 D C 0.626 176.913 176.300 -0.021 0.000 1.055 147 D CA 0.440 54.430 54.000 -0.017 0.000 0.856 147 D CB 0.376 41.169 40.800 -0.011 0.000 0.957 147 D HN 0.257 nan 8.370 nan 0.000 0.509 148 K N 1.454 121.846 120.400 -0.014 0.000 2.961 148 K HA 0.267 4.587 4.320 0.000 0.000 0.187 148 K C -2.628 173.921 176.600 -0.085 0.000 1.110 148 K CA -1.492 54.768 56.287 -0.044 0.000 0.968 148 K CB 1.843 34.331 32.500 -0.019 0.000 1.287 148 K HN -0.023 nan 8.250 nan 0.000 0.578 149 P HA -0.051 nan 4.420 nan 0.000 0.272 149 P C -0.282 176.754 177.300 -0.442 0.000 1.254 149 P CA -0.306 62.710 63.100 -0.139 0.000 0.795 149 P CB 0.511 32.150 31.700 -0.102 0.000 1.022 150 A N 1.496 123.971 122.820 -0.575 0.000 2.561 150 A HA 0.035 4.355 4.320 0.000 0.000 0.234 150 A C 0.771 178.074 177.584 -0.469 0.000 1.055 150 A CA 0.380 51.925 52.037 -0.819 0.000 0.756 150 A CB -0.769 18.054 19.000 -0.296 0.000 0.986 150 A HN 0.736 nan 8.150 nan 0.000 0.505 151 N N 0.046 118.468 118.700 -0.464 0.000 2.159 151 N HA 0.257 4.997 4.740 0.000 0.000 0.217 151 N C -0.521 174.876 175.510 -0.187 0.000 1.223 151 N CA -0.091 52.816 53.050 -0.238 0.000 0.896 151 N CB 0.596 39.046 38.487 -0.062 0.000 1.064 151 N HN 0.409 nan 8.380 nan 0.000 0.518 152 M N 0.717 120.155 119.600 -0.270 0.000 2.470 152 M HA 0.470 4.950 4.480 0.000 0.000 0.285 152 M C -1.531 174.651 176.300 -0.196 0.000 1.213 152 M CA -0.585 54.589 55.300 -0.210 0.000 0.901 152 M CB 2.436 34.908 32.600 -0.213 0.000 1.718 152 M HN -0.055 nan 8.290 nan 0.000 0.469 153 I N 2.442 122.909 120.570 -0.173 0.000 2.569 153 I HA 0.540 4.710 4.170 0.000 0.000 0.296 153 I C -1.026 175.033 176.117 -0.096 0.000 1.028 153 I CA -0.892 60.332 61.300 -0.127 0.000 1.082 153 I CB 2.656 40.599 38.000 -0.095 0.000 1.264 153 I HN 0.540 nan 8.210 nan 0.000 0.429 154 L N 5.529 126.669 121.223 -0.140 0.000 2.345 154 L HA 0.524 4.864 4.340 0.000 0.000 0.274 154 L C -1.417 175.353 176.870 -0.166 0.000 0.999 154 L CA -0.220 54.548 54.840 -0.120 0.000 0.849 154 L CB 1.023 43.030 42.059 -0.087 0.000 1.220 154 L HN 0.506 nan 8.230 nan 0.000 0.422 155 D N 2.654 123.005 120.400 -0.081 0.000 2.340 155 D HA 0.364 5.004 4.640 0.000 0.000 0.240 155 D C -1.515 174.749 176.300 -0.060 0.000 1.001 155 D CA -0.104 53.849 54.000 -0.078 0.000 0.888 155 D CB 2.378 43.166 40.800 -0.019 0.000 1.310 155 D HN 0.404 nan 8.370 nan 0.000 0.474 156 D N 0.843 121.190 120.400 -0.088 0.000 2.389 156 D HA 0.441 5.081 4.640 0.000 0.000 0.256 156 D C 0.674 176.829 176.300 -0.241 0.000 1.239 156 D CA -0.209 53.715 54.000 -0.125 0.000 0.925 156 D CB 0.555 41.304 40.800 -0.084 0.000 1.145 156 D HN 0.608 nan 8.370 nan 0.000 0.542 157 G N 2.109 110.684 108.800 -0.376 0.000 2.179 157 G HA2 -0.121 3.840 3.960 0.000 0.000 0.220 157 G HA3 -0.121 3.840 3.960 0.000 0.000 0.220 157 G C 1.036 175.926 174.900 -0.016 0.000 0.990 157 G CA 0.362 45.143 45.100 -0.531 0.000 0.646 157 G HN 1.483 nan 8.290 nan 0.000 0.517 158 G N -0.530 108.290 108.800 0.034 0.000 2.159 158 G HA2 -0.263 3.697 3.960 0.000 0.000 0.256 158 G HA3 -0.263 3.697 3.960 0.000 0.000 0.256 158 G C 0.725 175.759 174.900 0.223 0.000 0.977 158 G CA 1.091 46.272 45.100 0.134 0.000 0.652 158 G HN 0.615 nan 8.290 nan 0.000 0.531 159 D N 0.488 121.036 120.400 0.246 0.000 2.117 159 D HA 0.140 4.780 4.640 0.000 0.000 0.198 159 D C 2.728 179.222 176.300 0.324 0.000 0.982 159 D CA 1.697 55.908 54.000 0.352 0.000 0.828 159 D CB -0.576 40.424 40.800 0.333 0.000 0.967 159 D HN 0.660 nan 8.370 nan 0.000 0.464 160 A N 0.355 123.273 122.820 0.162 0.000 1.859 160 A HA -0.232 4.088 4.320 0.000 0.000 0.217 160 A C 2.375 180.056 177.584 0.163 0.000 1.198 160 A CA 2.713 54.824 52.037 0.123 0.000 0.629 160 A CB -1.190 17.820 19.000 0.015 0.000 0.830 160 A HN 0.260 nan 8.150 nan 0.000 0.446 161 T N -0.311 114.348 114.554 0.175 0.000 2.720 161 T HA -0.223 4.127 4.350 0.000 0.000 0.268 161 T C 1.927 176.725 174.700 0.164 0.000 1.037 161 T CA 1.816 64.035 62.100 0.197 0.000 1.144 161 T CB -0.322 68.672 68.868 0.210 0.000 0.864 161 T HN 0.519 nan 8.240 nan 0.000 0.444 162 M N 0.474 120.235 119.600 0.268 0.000 2.132 162 M HA -0.034 4.447 4.480 0.000 0.000 0.263 162 M C 2.147 178.580 176.300 0.221 0.000 1.065 162 M CA 1.359 56.844 55.300 0.308 0.000 1.122 162 M CB -0.232 32.530 32.600 0.271 0.000 1.365 162 M HN 0.203 nan 8.290 nan 0.000 0.411 163 L N 0.172 121.536 121.223 0.236 0.000 2.042 163 L HA -0.136 4.204 4.340 0.000 0.000 0.210 163 L C 2.050 178.663 176.870 -0.427 0.000 1.076 163 L CA 1.620 56.458 54.840 -0.003 0.000 0.749 163 L CB -0.825 41.238 42.059 0.006 0.000 0.893 163 L HN 0.188 nan 8.230 nan 0.000 0.432 164 V N -0.662 119.164 119.914 -0.146 0.000 2.255 164 V HA -0.258 3.862 4.120 0.000 0.000 0.243 164 V C 2.524 178.595 176.094 -0.038 0.000 1.038 164 V CA 1.832 64.142 62.300 0.017 0.000 1.008 164 V CB -0.444 31.515 31.823 0.225 0.000 0.645 164 V HN 0.388 nan 8.190 nan 0.000 0.449 165 L N -0.561 120.590 121.223 -0.121 0.000 2.012 165 L HA -0.168 4.172 4.340 0.000 0.000 0.210 165 L C 2.904 179.624 176.870 -0.251 0.000 1.073 165 L CA 1.541 56.198 54.840 -0.304 0.000 0.748 165 L CB -0.742 40.817 42.059 -0.834 0.000 0.891 165 L HN 0.253 nan 8.230 nan 0.000 0.431 166 R N 0.324 120.716 120.500 -0.180 0.000 2.073 166 R HA -0.102 4.238 4.340 0.000 0.000 0.234 166 R C 2.329 178.346 176.300 -0.472 0.000 1.134 166 R CA 1.469 57.371 56.100 -0.330 0.000 0.952 166 R CB -1.346 28.882 30.300 -0.119 0.000 0.850 166 R HN 0.443 nan 8.270 nan 0.000 0.433 167 G N 1.340 109.901 108.800 -0.398 0.000 2.505 167 G HA2 -0.325 3.635 3.960 0.000 0.000 0.220 167 G HA3 -0.325 3.635 3.960 0.000 0.000 0.220 167 G C 1.481 176.385 174.900 0.006 0.000 1.145 167 G CA 1.051 45.900 45.100 -0.419 0.000 0.761 167 G HN 0.306 nan 8.290 nan 0.000 0.571 168 M N 0.102 119.725 119.600 0.037 0.000 2.200 168 M HA 0.004 4.484 4.480 0.000 0.000 0.265 168 M C 2.616 178.926 176.300 0.017 0.000 1.066 168 M CA 1.864 57.222 55.300 0.098 0.000 1.127 168 M CB -0.121 32.531 32.600 0.088 0.000 1.379 168 M HN 0.433 nan 8.290 nan 0.000 0.420 169 Q N -0.603 119.137 119.800 -0.100 0.000 2.230 169 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 169 Q C 1.233 177.208 176.000 -0.043 0.000 0.963 169 Q CA 1.300 57.039 55.803 -0.107 0.000 0.866 169 Q CB -0.122 28.506 28.738 -0.183 0.000 0.931 169 Q HN 0.556 nan 8.270 nan 0.000 0.452 170 Y N 1.422 121.684 120.300 -0.064 0.000 2.153 170 Y HA -0.050 4.500 4.550 0.000 0.000 0.289 170 Y C 2.098 177.857 175.900 -0.234 0.000 1.119 170 Y CA 1.017 59.019 58.100 -0.162 0.000 1.116 170 Y CB -0.758 37.563 38.460 -0.231 0.000 1.004 170 Y HN 0.179 nan 8.280 nan 0.000 0.501 171 E N 0.622 120.811 120.200 -0.018 0.000 2.164 171 E HA -0.349 4.001 4.350 0.000 0.000 0.233 171 E C 2.077 178.750 176.600 0.121 0.000 1.073 171 E CA 2.474 58.931 56.400 0.096 0.000 0.941 171 E CB -0.272 29.597 29.700 0.283 0.000 0.820 171 E HN 0.419 nan 8.360 nan 0.000 0.486 172 K N -0.027 120.434 120.400 0.102 0.000 2.034 172 K HA -0.229 4.092 4.320 0.000 0.000 0.214 172 K C 2.258 178.896 176.600 0.064 0.000 1.051 172 K CA 1.385 57.720 56.287 0.080 0.000 0.931 172 K CB -0.420 32.115 32.500 0.059 0.000 0.715 172 K HN 0.182 nan 8.250 nan 0.000 0.446 173 A N 0.509 123.361 122.820 0.052 0.000 2.084 173 A HA -0.089 4.231 4.320 0.000 0.000 0.221 173 A C 1.801 179.398 177.584 0.021 0.000 1.161 173 A CA 1.860 53.924 52.037 0.045 0.000 0.653 173 A CB -0.873 18.173 19.000 0.077 0.000 0.802 173 A HN 0.587 nan 8.150 nan 0.000 0.457 174 G N -2.521 106.285 108.800 0.010 0.000 2.168 174 G HA2 -0.030 3.930 3.960 0.000 0.000 0.263 174 G HA3 -0.030 3.930 3.960 0.000 0.000 0.263 174 G C 0.425 175.264 174.900 -0.101 0.000 0.977 174 G CA 0.918 46.049 45.100 0.051 0.000 0.659 174 G HN 2.106 nan 8.290 nan 0.000 0.533 175 V N -1.934 117.815 119.914 -0.275 0.000 3.278 175 V HA 0.696 4.816 4.120 0.000 0.000 0.288 175 V C -1.130 174.704 176.094 -0.434 0.000 1.514 175 V CA -0.295 61.783 62.300 -0.370 0.000 1.051 175 V CB 2.171 33.908 31.823 -0.143 0.000 1.163 175 V HN 0.744 nan 8.190 nan 0.000 0.458 176 V N 4.941 124.561 119.914 -0.489 0.000 2.370 176 V HA 0.527 4.647 4.120 0.000 0.000 0.283 176 V C -2.177 173.609 176.094 -0.513 0.000 1.023 176 V CA -1.612 60.275 62.300 -0.688 0.000 0.857 176 V CB 1.453 32.941 31.823 -0.558 0.000 0.985 176 V HN 0.949 nan 8.190 nan 0.000 0.443 177 P HA 0.164 nan 4.420 nan 0.000 0.269 177 P C -2.512 174.664 177.300 -0.208 0.000 1.217 177 P CA -0.740 62.190 63.100 -0.283 0.000 0.783 177 P CB -0.157 31.425 31.700 -0.196 0.000 0.898 178 P HA 0.219 nan 4.420 nan 0.000 0.276 178 P C -1.058 176.229 177.300 -0.022 0.000 1.244 178 P CA -0.224 62.833 63.100 -0.072 0.000 0.801 178 P CB 0.669 32.345 31.700 -0.040 0.000 1.006 179 A N 1.777 124.592 122.820 -0.008 0.000 2.295 179 A HA 0.399 4.719 4.320 0.000 0.000 0.318 179 A C 0.268 177.890 177.584 0.063 0.000 1.134 179 A CA -0.564 51.516 52.037 0.072 0.000 0.827 179 A CB 0.251 19.290 19.000 0.065 0.000 1.136 179 A HN 0.471 nan 8.150 nan 0.000 0.493 180 E N 0.847 121.099 120.200 0.087 0.000 2.366 180 E HA 0.075 4.426 4.350 0.000 0.000 0.266 180 E C 0.799 177.426 176.600 0.045 0.000 1.051 180 E CA -0.174 56.257 56.400 0.052 0.000 0.884 180 E CB 0.649 30.374 29.700 0.042 0.000 1.006 180 E HN 0.752 nan 8.360 nan 0.000 0.417 181 E N 1.324 121.541 120.200 0.029 0.000 2.136 181 E HA -0.261 4.089 4.350 0.000 0.000 0.208 181 E C 0.535 177.153 176.600 0.030 0.000 1.035 181 E CA 1.837 58.252 56.400 0.025 0.000 0.838 181 E CB -0.013 29.697 29.700 0.017 0.000 0.748 181 E HN 0.459 nan 8.360 nan 0.000 0.459 182 D N 0.625 121.040 120.400 0.026 0.000 2.587 182 D HA 0.064 4.704 4.640 0.000 0.000 0.233 182 D C -0.339 175.975 176.300 0.024 0.000 1.213 182 D CA -0.166 53.846 54.000 0.020 0.000 0.827 182 D CB -0.158 40.645 40.800 0.005 0.000 1.006 182 D HN -0.129 nan 8.370 nan 0.000 0.490 183 D N 2.259 122.693 120.400 0.057 0.000 2.341 183 D HA 0.175 4.815 4.640 0.000 0.000 0.245 183 D C -1.939 174.414 176.300 0.089 0.000 1.106 183 D CA -1.210 52.843 54.000 0.089 0.000 0.905 183 D CB 1.248 42.183 40.800 0.226 0.000 1.202 183 D HN 0.116 nan 8.370 nan 0.000 0.426 184 P HA 0.024 nan 4.420 nan 0.000 0.268 184 P C 0.058 177.431 177.300 0.122 0.000 1.205 184 P CA -0.191 62.950 63.100 0.069 0.000 0.771 184 P CB 0.716 32.431 31.700 0.025 0.000 0.858 185 A N 2.868 125.741 122.820 0.089 0.000 1.940 185 A HA -0.235 4.085 4.320 0.000 0.000 0.219 185 A C 2.175 179.826 177.584 0.113 0.000 1.176 185 A CA 1.979 54.071 52.037 0.092 0.000 0.631 185 A CB -1.133 17.913 19.000 0.078 0.000 0.814 185 A HN 0.697 nan 8.150 nan 0.000 0.446 186 E N -1.386 118.891 120.200 0.129 0.000 2.150 186 E HA -0.180 4.170 4.350 0.000 0.000 0.193 186 E C 1.836 178.526 176.600 0.150 0.000 0.985 186 E CA 0.760 57.265 56.400 0.174 0.000 0.814 186 E CB -0.254 29.556 29.700 0.184 0.000 0.752 186 E HN 0.829 nan 8.360 nan 0.000 0.466 187 W N 1.579 122.853 121.300 -0.044 0.000 2.379 187 W HA -0.162 4.499 4.660 0.000 0.000 0.307 187 W C 1.619 178.134 176.519 -0.006 0.000 1.200 187 W CA 1.250 58.564 57.345 -0.051 0.000 1.297 187 W CB 0.034 29.454 29.460 -0.066 0.000 1.140 187 W HN 0.000 nan 8.180 nan 0.000 0.507 188 K N 0.003 120.420 120.400 0.027 0.000 2.103 188 K HA -0.206 4.114 4.320 0.000 0.000 0.207 188 K C 1.744 178.259 176.600 -0.143 0.000 1.048 188 K CA 1.881 58.122 56.287 -0.078 0.000 0.930 188 K CB -0.610 31.897 32.500 0.012 0.000 0.716 188 K HN 0.040 nan 8.250 nan 0.000 0.444 189 V N 0.797 120.662 119.914 -0.082 0.000 2.323 189 V HA -0.212 3.908 4.120 0.000 0.000 0.244 189 V C 1.912 177.843 176.094 -0.271 0.000 1.041 189 V CA 1.591 63.846 62.300 -0.074 0.000 1.025 189 V CB -0.460 31.423 31.823 0.100 0.000 0.656 189 V HN 0.238 nan 8.190 nan 0.000 0.451 190 F N 0.325 119.873 119.950 -0.671 0.000 2.102 190 F HA -0.182 4.345 4.527 0.000 0.000 0.298 190 F C 2.107 177.469 175.800 -0.730 0.000 1.105 190 F CA 1.726 59.109 58.000 -1.028 0.000 1.239 190 F CB -0.258 38.000 39.000 -1.236 0.000 0.991 190 F HN -0.003 nan 8.300 nan 0.000 0.474 191 L N 0.394 121.197 121.223 -0.700 0.000 2.042 191 L HA -0.275 4.065 4.340 0.000 0.000 0.210 191 L C 2.149 178.749 176.870 -0.450 0.000 1.076 191 L CA 1.483 55.923 54.840 -0.666 0.000 0.749 191 L CB -0.888 40.775 42.059 -0.660 0.000 0.893 191 L HN 0.232 nan 8.230 nan 0.000 0.432 192 N N 0.116 118.627 118.700 -0.316 0.000 2.289 192 N HA -0.180 4.560 4.740 0.000 0.000 0.184 192 N C 1.785 177.206 175.510 -0.148 0.000 1.016 192 N CA 0.967 53.908 53.050 -0.181 0.000 0.872 192 N CB -0.236 38.191 38.487 -0.100 0.000 0.973 192 N HN 0.267 nan 8.380 nan 0.000 0.433 193 L N 0.782 121.879 121.223 -0.210 0.000 2.005 193 L HA -0.041 4.300 4.340 0.000 0.000 0.207 193 L C 2.088 178.895 176.870 -0.105 0.000 1.072 193 L CA 1.074 55.841 54.840 -0.121 0.000 0.744 193 L CB -0.291 41.678 42.059 -0.150 0.000 0.895 193 L HN 0.047 nan 8.230 nan 0.000 0.433 194 L N -0.665 120.389 121.223 -0.282 0.000 1.994 194 L HA -0.236 4.104 4.340 0.000 0.000 0.208 194 L C 2.830 179.687 176.870 -0.022 0.000 1.071 194 L CA 1.585 56.322 54.840 -0.171 0.000 0.745 194 L CB -0.584 41.241 42.059 -0.391 0.000 0.892 194 L HN 0.277 nan 8.230 nan 0.000 0.431 195 R N -0.571 119.857 120.500 -0.119 0.000 2.120 195 R HA -0.147 4.193 4.340 0.000 0.000 0.234 195 R C 2.190 178.521 176.300 0.052 0.000 1.123 195 R CA 1.865 57.934 56.100 -0.052 0.000 0.975 195 R CB -0.133 30.087 30.300 -0.133 0.000 0.866 195 R HN 0.329 nan 8.270 nan 0.000 0.446 196 T N 0.001 114.572 114.554 0.028 0.000 2.770 196 T HA -0.105 4.245 4.350 0.000 0.000 0.263 196 T C 1.674 176.422 174.700 0.080 0.000 1.039 196 T CA 1.304 63.434 62.100 0.049 0.000 1.142 196 T CB -0.204 68.685 68.868 0.036 0.000 0.868 196 T HN 0.177 nan 8.240 nan 0.000 0.435 197 R N 0.676 121.245 120.500 0.114 0.000 2.152 197 R HA 0.033 4.373 4.340 0.000 0.000 0.232 197 R C 1.852 178.239 176.300 0.144 0.000 1.117 197 R CA 1.046 57.219 56.100 0.123 0.000 0.981 197 R CB -1.001 29.412 30.300 0.188 0.000 0.870 197 R HN 0.366 nan 8.270 nan 0.000 0.451 198 F N 1.357 121.332 119.950 0.042 0.000 2.234 198 F HA -0.051 4.476 4.527 0.000 0.000 0.299 198 F C 1.502 177.307 175.800 0.008 0.000 1.087 198 F CA 1.595 59.616 58.000 0.034 0.000 1.340 198 F CB -0.021 38.998 39.000 0.032 0.000 1.031 198 F HN 0.154 nan 8.300 nan 0.000 0.500 199 E N -0.930 119.288 120.200 0.030 0.000 2.204 199 E HA -0.171 4.179 4.350 0.000 0.000 0.195 199 E C 1.968 178.504 176.600 -0.106 0.000 0.990 199 E CA 1.748 58.120 56.400 -0.047 0.000 0.821 199 E CB -0.170 29.535 29.700 0.008 0.000 0.750 199 E HN 0.564 nan 8.360 nan 0.000 0.477 200 T N -2.208 112.289 114.554 -0.095 0.000 3.156 200 T HA 0.034 4.384 4.350 0.000 0.000 0.236 200 T C 0.884 175.498 174.700 -0.143 0.000 0.978 200 T CA -0.232 61.807 62.100 -0.102 0.000 1.240 200 T CB 0.033 68.865 68.868 -0.060 0.000 0.951 200 T HN -0.187 nan 8.240 nan 0.000 0.420 201 D N 0.809 121.129 120.400 -0.133 0.000 2.313 201 D HA 0.373 5.013 4.640 0.000 0.000 0.247 201 D C 0.480 176.649 176.300 -0.219 0.000 1.094 201 D CA -0.265 53.646 54.000 -0.148 0.000 0.925 201 D CB 1.564 42.285 40.800 -0.132 0.000 1.188 201 D HN 0.095 nan 8.370 nan 0.000 0.430 202 K N 0.492 120.782 120.400 -0.184 0.000 2.504 202 K HA 0.029 4.350 4.320 0.000 0.000 0.203 202 K C 0.209 176.861 176.600 0.085 0.000 1.350 202 K CA 0.331 56.490 56.287 -0.214 0.000 0.953 202 K CB 0.645 32.992 32.500 -0.255 0.000 1.243 202 K HN 0.404 nan 8.250 nan 0.000 0.534 203 D N 0.336 120.754 120.400 0.029 0.000 2.696 203 D HA 0.081 4.721 4.640 0.000 0.000 0.269 203 D C 1.067 177.367 176.300 -0.001 0.000 1.319 203 D CA -0.255 53.783 54.000 0.064 0.000 0.826 203 D CB 0.582 41.408 40.800 0.043 0.000 1.086 203 D HN -0.169 nan 8.370 nan 0.000 0.481 204 K N 0.146 120.494 120.400 -0.088 0.000 2.009 204 K HA -0.137 4.183 4.320 0.000 0.000 0.210 204 K C 0.807 177.224 176.600 -0.306 0.000 1.049 204 K CA 1.405 57.505 56.287 -0.313 0.000 0.929 204 K CB -0.102 32.035 32.500 -0.604 0.000 0.714 204 K HN 0.272 nan 8.250 nan 0.000 0.440 205 W N 0.430 121.759 121.300 0.049 0.000 2.518 205 W HA -0.012 4.648 4.660 0.000 0.000 0.273 205 W C 2.260 178.804 176.519 0.041 0.000 1.247 205 W CA 0.526 57.896 57.345 0.040 0.000 1.288 205 W CB -0.401 29.080 29.460 0.035 0.000 1.107 205 W HN 0.072 nan 8.180 nan 0.000 0.586 206 T N 0.655 115.346 114.554 0.229 0.000 2.708 206 T HA -0.179 4.171 4.350 0.000 0.000 0.266 206 T C 1.848 176.605 174.700 0.094 0.000 1.037 206 T CA 1.258 63.445 62.100 0.145 0.000 1.146 206 T CB -0.187 68.753 68.868 0.121 0.000 0.865 206 T HN -0.056 nan 8.240 nan 0.000 0.435 207 K N 0.846 121.275 120.400 0.049 0.000 2.097 207 K HA 0.134 4.454 4.320 0.000 0.000 0.205 207 K C 2.264 178.871 176.600 0.010 0.000 1.050 207 K CA 0.813 57.108 56.287 0.013 0.000 0.938 207 K CB -0.584 31.901 32.500 -0.025 0.000 0.718 207 K HN 0.386 nan 8.250 nan 0.000 0.442 208 I N 1.115 121.697 120.570 0.020 0.000 2.179 208 I HA -0.257 3.913 4.170 0.000 0.000 0.242 208 I C 2.356 178.505 176.117 0.054 0.000 1.088 208 I CA 1.208 62.525 61.300 0.029 0.000 1.357 208 I CB -0.342 37.706 38.000 0.081 0.000 1.051 208 I HN 0.044 nan 8.210 nan 0.000 0.409 209 A N -0.091 122.820 122.820 0.152 0.000 2.019 209 A HA -0.216 4.104 4.320 0.000 0.000 0.219 209 A C 2.156 179.853 177.584 0.188 0.000 1.164 209 A CA 1.581 53.762 52.037 0.239 0.000 0.644 209 A CB -0.502 18.660 19.000 0.270 0.000 0.805 209 A HN 0.448 nan 8.150 nan 0.000 0.449 210 E N -0.970 119.290 120.200 0.100 0.000 2.158 210 E HA -0.081 4.269 4.350 0.000 0.000 0.191 210 E C 2.185 178.794 176.600 0.016 0.000 0.982 210 E CA 0.902 57.342 56.400 0.066 0.000 0.823 210 E CB -0.036 29.690 29.700 0.044 0.000 0.766 210 E HN 0.578 nan 8.360 nan 0.000 0.468 211 S N -0.060 115.625 115.700 -0.026 0.000 2.406 211 S HA -0.034 4.436 4.470 0.000 0.000 0.228 211 S C 0.825 175.354 174.600 -0.119 0.000 1.020 211 S CA 0.075 58.233 58.200 -0.071 0.000 0.965 211 S CB 0.170 63.311 63.200 -0.099 0.000 0.798 211 S HN -0.048 nan 8.310 nan 0.000 0.488 212 V N 3.650 123.432 119.914 -0.221 0.000 2.485 212 V HA 0.096 4.216 4.120 0.000 0.000 0.287 212 V C 1.058 176.966 176.094 -0.310 0.000 1.022 212 V CA 0.136 62.178 62.300 -0.429 0.000 1.067 212 V CB 0.966 32.185 31.823 -1.007 0.000 0.967 212 V HN 0.324 nan 8.190 nan 0.000 0.479 213 K N 3.338 123.644 120.400 -0.157 0.000 2.262 213 K HA 0.260 4.580 4.320 0.000 0.000 0.200 213 K C 0.742 177.323 176.600 -0.033 0.000 1.049 213 K CA 0.847 57.111 56.287 -0.038 0.000 0.979 213 K CB 0.457 32.990 32.500 0.055 0.000 0.773 213 K HN 0.854 nan 8.250 nan 0.000 0.474 214 G N -0.372 108.360 108.800 -0.112 0.000 2.547 214 G HA2 0.381 4.341 3.960 0.000 0.000 0.291 214 G HA3 0.381 4.341 3.960 0.000 0.000 0.291 214 G C -1.899 172.973 174.900 -0.046 0.000 1.471 214 G CA -0.503 44.587 45.100 -0.017 0.000 0.798 214 G HN -0.076 nan 8.290 nan 0.000 0.504 215 V N 0.230 120.229 119.914 0.142 0.000 2.628 215 V HA 0.885 5.005 4.120 0.000 0.000 0.306 215 V C -0.096 176.034 176.094 0.060 0.000 1.045 215 V CA 0.032 62.397 62.300 0.107 0.000 0.905 215 V CB 2.171 34.147 31.823 0.255 0.000 0.997 215 V HN 1.413 nan 8.190 nan 0.000 0.436 216 T N 2.276 116.844 114.554 0.022 0.000 2.791 216 T HA 0.647 4.997 4.350 0.000 0.000 0.288 216 T C -0.701 174.010 174.700 0.018 0.000 0.999 216 T CA -0.552 61.559 62.100 0.018 0.000 0.952 216 T CB 1.367 70.240 68.868 0.008 0.000 0.938 216 T HN 0.738 nan 8.240 nan 0.000 0.444 217 E N 1.765 121.976 120.200 0.018 0.000 2.156 217 E HA 0.284 4.634 4.350 0.000 0.000 0.279 217 E C 0.642 177.244 176.600 0.003 0.000 0.965 217 E CA -0.680 55.718 56.400 -0.003 0.000 0.789 217 E CB 1.469 31.154 29.700 -0.024 0.000 1.098 217 E HN 0.693 nan 8.360 nan 0.000 0.397 218 E N 2.526 122.727 120.200 0.003 0.000 2.276 218 E HA 0.033 4.383 4.350 0.000 0.000 0.193 218 E C -0.223 176.383 176.600 0.009 0.000 0.983 218 E CA 0.471 56.898 56.400 0.045 0.000 0.861 218 E CB 0.619 30.387 29.700 0.112 0.000 0.817 218 E HN 0.509 nan 8.360 nan 0.000 0.485 219 T N -1.514 113.003 114.554 -0.063 0.000 2.901 219 T HA 0.229 4.579 4.350 0.000 0.000 0.293 219 T C 0.876 175.513 174.700 -0.105 0.000 1.084 219 T CA -0.288 61.760 62.100 -0.087 0.000 1.008 219 T CB 1.716 70.503 68.868 -0.135 0.000 1.170 219 T HN -0.112 nan 8.240 nan 0.000 0.509 220 T N 1.686 116.198 114.554 -0.071 0.000 2.635 220 T HA -0.133 4.217 4.350 0.000 0.000 0.267 220 T C 1.998 176.665 174.700 -0.055 0.000 1.040 220 T CA 2.299 64.376 62.100 -0.038 0.000 1.156 220 T CB -0.795 68.064 68.868 -0.015 0.000 0.863 220 T HN 0.739 nan 8.240 nan 0.000 0.430 221 T N 1.343 115.836 114.554 -0.102 0.000 2.624 221 T HA -0.122 4.228 4.350 0.000 0.000 0.268 221 T C 2.272 176.915 174.700 -0.094 0.000 1.041 221 T CA 1.579 63.617 62.100 -0.104 0.000 1.159 221 T CB -1.021 67.727 68.868 -0.200 0.000 0.863 221 T HN 0.575 nan 8.240 nan 0.000 0.434 222 G N 0.564 109.263 108.800 -0.167 0.000 2.408 222 G HA2 -0.125 3.835 3.960 0.000 0.000 0.217 222 G HA3 -0.125 3.835 3.960 0.000 0.000 0.217 222 G C 1.699 176.543 174.900 -0.094 0.000 1.150 222 G CA 0.771 45.807 45.100 -0.106 0.000 0.776 222 G HN 0.459 nan 8.290 nan 0.000 0.542 223 V N 0.877 120.713 119.914 -0.130 0.000 2.427 223 V HA -0.114 4.006 4.120 0.000 0.000 0.248 223 V C 2.644 178.594 176.094 -0.239 0.000 1.051 223 V CA 1.445 63.600 62.300 -0.241 0.000 1.048 223 V CB -0.451 31.245 31.823 -0.212 0.000 0.666 223 V HN 0.363 nan 8.190 nan 0.000 0.456 224 L N 0.641 121.842 121.223 -0.037 0.000 2.013 224 L HA -0.199 4.141 4.340 0.000 0.000 0.212 224 L C 2.502 179.364 176.870 -0.013 0.000 1.073 224 L CA 2.023 56.901 54.840 0.064 0.000 0.753 224 L CB -0.739 41.351 42.059 0.052 0.000 0.890 224 L HN 0.162 nan 8.230 nan 0.000 0.432 225 R N -0.962 119.493 120.500 -0.075 0.000 2.096 225 R HA -0.077 4.263 4.340 0.000 0.000 0.235 225 R C 2.277 178.487 176.300 -0.151 0.000 1.127 225 R CA 1.654 57.651 56.100 -0.172 0.000 0.968 225 R CB -0.413 29.813 30.300 -0.124 0.000 0.861 225 R HN 0.400 nan 8.270 nan 0.000 0.440 226 L N -1.075 120.116 121.223 -0.053 0.000 2.093 226 L HA -0.163 4.177 4.340 0.000 0.000 0.208 226 L C 1.862 178.728 176.870 -0.007 0.000 1.085 226 L CA 1.017 55.863 54.840 0.010 0.000 0.755 226 L CB -0.414 41.579 42.059 -0.109 0.000 0.904 226 L HN 0.179 nan 8.230 nan 0.000 0.435 227 Y N 0.486 120.795 120.300 0.014 0.000 2.145 227 Y HA -0.259 4.291 4.550 0.000 0.000 0.286 227 Y C 2.724 178.611 175.900 -0.023 0.000 1.145 227 Y CA 1.055 59.153 58.100 -0.003 0.000 1.148 227 Y CB -0.733 37.717 38.460 -0.015 0.000 0.981 227 Y HN 0.225 nan 8.280 nan 0.000 0.507 228 Q N -1.531 118.306 119.800 0.063 0.000 2.364 228 Q HA -0.143 4.197 4.340 0.000 0.000 0.207 228 Q C 1.668 177.609 176.000 -0.098 0.000 0.970 228 Q CA 0.905 56.669 55.803 -0.064 0.000 0.888 228 Q CB -0.215 28.414 28.738 -0.182 0.000 0.951 228 Q HN 0.389 nan 8.270 nan 0.000 0.469 229 F N -0.113 119.830 119.950 -0.011 0.000 2.219 229 F HA 0.051 4.578 4.527 0.000 0.000 0.294 229 F C 2.261 178.041 175.800 -0.033 0.000 1.086 229 F CA 0.703 58.678 58.000 -0.042 0.000 1.330 229 F CB -0.669 38.283 39.000 -0.081 0.000 1.047 229 F HN 0.002 nan 8.300 nan 0.000 0.495 230 A N -0.095 122.834 122.820 0.182 0.000 1.898 230 A HA -0.002 4.318 4.320 0.000 0.000 0.216 230 A C 2.368 180.003 177.584 0.084 0.000 1.181 230 A CA 1.616 53.720 52.037 0.112 0.000 0.620 230 A CB -1.249 17.826 19.000 0.124 0.000 0.819 230 A HN 0.255 nan 8.150 nan 0.000 0.442 231 A N -0.534 122.335 122.820 0.082 0.000 2.067 231 A HA 0.280 4.600 4.320 0.000 0.000 0.219 231 A C 2.092 179.698 177.584 0.037 0.000 1.158 231 A CA 1.623 53.688 52.037 0.046 0.000 0.661 231 A CB -0.567 18.452 19.000 0.031 0.000 0.801 231 A HN 1.062 nan 8.150 nan 0.000 0.452 232 A N -1.716 121.137 122.820 0.055 0.000 2.307 232 A HA 0.447 4.767 4.320 0.000 0.000 0.218 232 A C 1.637 179.252 177.584 0.052 0.000 1.228 232 A CA 0.966 53.034 52.037 0.052 0.000 0.857 232 A CB -0.922 18.119 19.000 0.067 0.000 0.897 232 A HN 1.776 nan 8.150 nan 0.000 0.495 233 G N -0.368 108.459 108.800 0.045 0.000 2.168 233 G HA2 -0.260 3.700 3.960 0.000 0.000 0.257 233 G HA3 -0.260 3.700 3.960 0.000 0.000 0.257 233 G C 0.291 175.198 174.900 0.013 0.000 0.997 233 G CA 0.627 45.743 45.100 0.027 0.000 0.708 233 G HN 0.432 nan 8.290 nan 0.000 0.520 234 D N -0.997 119.421 120.400 0.031 0.000 2.407 234 D HA 0.171 4.811 4.640 0.000 0.000 0.208 234 D C 1.053 177.250 176.300 -0.171 0.000 1.083 234 D CA -0.239 53.746 54.000 -0.024 0.000 0.844 234 D CB 0.367 41.231 40.800 0.107 0.000 0.967 234 D HN 0.417 nan 8.370 nan 0.000 0.506 235 L N 1.119 122.272 121.223 -0.117 0.000 2.325 235 L HA 0.384 4.724 4.340 0.000 0.000 0.284 235 L C 0.837 177.539 176.870 -0.280 0.000 1.089 235 L CA -0.061 54.627 54.840 -0.253 0.000 0.836 235 L CB 0.851 42.844 42.059 -0.110 0.000 1.184 235 L HN -0.106 nan 8.230 nan 0.000 0.444 236 A N 5.386 127.910 122.820 -0.493 0.000 2.303 236 A HA 0.351 4.671 4.320 0.000 0.000 0.217 236 A C 0.088 177.584 177.584 -0.146 0.000 1.205 236 A CA 0.084 51.947 52.037 -0.290 0.000 0.875 236 A CB -0.350 18.520 19.000 -0.215 0.000 0.910 236 A HN 0.657 nan 8.150 nan 0.000 0.501 237 F N -3.056 116.890 119.950 -0.005 0.000 2.640 237 F HA 0.760 5.287 4.527 0.000 0.000 0.324 237 F C -3.220 172.608 175.800 0.047 0.000 1.077 237 F CA -3.709 54.300 58.000 0.014 0.000 0.965 237 F CB 0.175 39.172 39.000 -0.004 0.000 1.351 237 F HN -0.313 nan 8.300 nan 0.000 0.487 238 P HA 0.369 nan 4.420 nan 0.000 0.271 238 P C -1.202 176.235 177.300 0.229 0.000 1.218 238 P CA -0.132 63.111 63.100 0.239 0.000 0.780 238 P CB 0.920 32.700 31.700 0.133 0.000 0.901 239 A N 3.083 126.056 122.820 0.255 0.000 2.371 239 A HA 0.659 4.980 4.320 0.000 0.000 0.311 239 A C -0.653 177.060 177.584 0.215 0.000 1.068 239 A CA -0.749 51.400 52.037 0.187 0.000 0.744 239 A CB 0.594 19.665 19.000 0.120 0.000 1.239 239 A HN 0.447 nan 8.150 nan 0.000 0.435 240 I N 2.610 123.246 120.570 0.111 0.000 2.312 240 I HA 0.159 4.329 4.170 0.000 0.000 0.290 240 I C 0.114 176.278 176.117 0.080 0.000 1.008 240 I CA -0.690 60.685 61.300 0.126 0.000 1.226 240 I CB 1.394 39.434 38.000 0.067 0.000 1.371 240 I HN 0.706 nan 8.210 nan 0.000 0.468 241 N N 6.804 125.552 118.700 0.080 0.000 2.400 241 N HA 0.023 4.763 4.740 0.000 0.000 0.267 241 N C 0.514 176.060 175.510 0.060 0.000 1.208 241 N CA 0.191 53.259 53.050 0.030 0.000 0.951 241 N CB 1.091 39.591 38.487 0.021 0.000 1.227 241 N HN 0.417 nan 8.380 nan 0.000 0.488 242 V N 3.490 123.432 119.914 0.046 0.000 2.788 242 V HA -0.093 4.028 4.120 0.000 0.000 0.251 242 V C 2.290 178.417 176.094 0.055 0.000 1.068 242 V CA 0.879 63.214 62.300 0.058 0.000 1.090 242 V CB -0.813 31.050 31.823 0.067 0.000 0.710 242 V HN 0.747 nan 8.190 nan 0.000 0.467 243 N N 0.932 119.657 118.700 0.041 0.000 2.104 243 N HA -0.204 4.536 4.740 0.000 0.000 0.190 243 N C 0.884 176.422 175.510 0.047 0.000 1.024 243 N CA 1.651 54.724 53.050 0.037 0.000 0.853 243 N CB 0.009 38.506 38.487 0.016 0.000 1.008 243 N HN 0.426 nan 8.380 nan 0.000 0.424 244 D N 0.548 120.986 120.400 0.063 0.000 2.336 244 D HA 0.080 4.720 4.640 0.000 0.000 0.228 244 D C -0.176 176.171 176.300 0.078 0.000 1.120 244 D CA 0.091 54.137 54.000 0.077 0.000 0.839 244 D CB 0.191 41.055 40.800 0.107 0.000 0.932 244 D HN 0.027 nan 8.370 nan 0.000 0.509 245 S N 0.119 115.858 115.700 0.065 0.000 2.549 245 S HA 0.018 4.488 4.470 0.000 0.000 0.286 245 S C 1.924 176.549 174.600 0.043 0.000 1.314 245 S CA -0.533 57.697 58.200 0.051 0.000 1.062 245 S CB 1.455 64.677 63.200 0.038 0.000 0.865 245 S HN -0.038 nan 8.310 nan 0.000 0.498 246 V N 4.115 124.037 119.914 0.014 0.000 2.287 246 V HA -0.197 3.923 4.120 0.000 0.000 0.248 246 V C 2.645 178.817 176.094 0.131 0.000 1.053 246 V CA 2.216 64.502 62.300 -0.022 0.000 1.027 246 V CB -1.702 29.945 31.823 -0.293 0.000 0.646 246 V HN 1.064 nan 8.190 nan 0.000 0.447 247 T N -2.556 112.052 114.554 0.091 0.000 2.996 247 T HA -0.191 4.159 4.350 0.000 0.000 0.271 247 T C 1.679 176.451 174.700 0.120 0.000 1.126 247 T CA 1.314 63.451 62.100 0.061 0.000 1.103 247 T CB -0.030 68.729 68.868 -0.183 0.000 0.870 247 T HN 0.326 nan 8.240 nan 0.000 0.528 248 K N 1.516 121.975 120.400 0.100 0.000 2.218 248 K HA 0.116 4.436 4.320 0.000 0.000 0.222 248 K C 2.831 179.473 176.600 0.071 0.000 1.030 248 K CA 1.280 57.607 56.287 0.065 0.000 0.946 248 K CB -0.676 31.850 32.500 0.043 0.000 1.000 248 K HN 0.442 nan 8.250 nan 0.000 0.461 249 S N 1.947 117.669 115.700 0.036 0.000 2.372 249 S HA -0.143 4.327 4.470 0.000 0.000 0.227 249 S C 1.602 176.145 174.600 -0.096 0.000 1.044 249 S CA 1.248 59.439 58.200 -0.016 0.000 1.050 249 S CB -0.334 62.859 63.200 -0.012 0.000 0.901 249 S HN 0.181 nan 8.310 nan 0.000 0.447 250 K N 0.155 120.488 120.400 -0.111 0.000 2.525 250 K HA 0.308 4.628 4.320 0.000 0.000 0.192 250 K C 0.510 176.662 176.600 -0.746 0.000 1.029 250 K CA 0.385 56.440 56.287 -0.387 0.000 1.029 250 K CB -0.359 31.911 32.500 -0.383 0.000 0.814 250 K HN 0.545 nan 8.250 nan 0.000 0.503 251 F N -0.622 119.218 119.950 -0.184 0.000 2.017 251 F HA 0.033 4.560 4.527 0.000 0.000 0.245 251 F C 2.005 177.745 175.800 -0.099 0.000 1.060 251 F CA -0.088 57.880 58.000 -0.054 0.000 1.231 251 F CB -0.288 38.722 39.000 0.017 0.000 1.527 251 F HN -0.083 nan 8.300 nan 0.000 0.636 252 D N 0.864 121.317 120.400 0.087 0.000 2.088 252 D HA -0.188 4.452 4.640 0.000 0.000 0.191 252 D C 1.417 177.645 176.300 -0.120 0.000 0.992 252 D CA 2.067 56.054 54.000 -0.021 0.000 0.831 252 D CB -0.344 40.490 40.800 0.057 0.000 0.973 252 D HN 0.109 nan 8.370 nan 0.000 0.447 253 N N 0.235 118.907 118.700 -0.047 0.000 2.223 253 N HA -0.129 4.611 4.740 0.000 0.000 0.185 253 N C 1.645 177.058 175.510 -0.160 0.000 1.016 253 N CA 1.060 54.081 53.050 -0.048 0.000 0.863 253 N CB -0.157 38.299 38.487 -0.051 0.000 0.983 253 N HN 0.365 nan 8.380 nan 0.000 0.429 254 K N -0.561 119.669 120.400 -0.284 0.000 2.057 254 K HA 0.037 4.357 4.320 0.000 0.000 0.209 254 K C 1.408 177.823 176.600 -0.308 0.000 1.028 254 K CA 0.468 56.519 56.287 -0.393 0.000 0.950 254 K CB -0.272 31.830 32.500 -0.663 0.000 0.784 254 K HN -0.056 nan 8.250 nan 0.000 0.448 255 Y N 0.740 120.961 120.300 -0.132 0.000 2.333 255 Y HA 0.020 4.570 4.550 0.000 0.000 0.290 255 Y C 2.205 178.022 175.900 -0.139 0.000 1.144 255 Y CA 1.089 59.140 58.100 -0.082 0.000 1.228 255 Y CB -1.006 37.455 38.460 0.000 0.000 0.985 255 Y HN 0.353 nan 8.280 nan 0.000 0.542 256 G N -0.859 107.802 108.800 -0.231 0.000 2.414 256 G HA2 -0.199 3.761 3.960 0.000 0.000 0.215 256 G HA3 -0.199 3.761 3.960 0.000 0.000 0.215 256 G C 1.772 176.352 174.900 -0.533 0.000 1.188 256 G CA 1.444 46.111 45.100 -0.723 0.000 0.783 256 G HN 0.327 nan 8.290 nan 0.000 0.537 257 T N 0.304 114.655 114.554 -0.338 0.000 2.821 257 T HA -0.082 4.268 4.350 0.000 0.000 0.267 257 T C 2.289 177.005 174.700 0.027 0.000 1.046 257 T CA 1.180 63.281 62.100 0.002 0.000 1.139 257 T CB -0.138 68.745 68.868 0.024 0.000 0.871 257 T HN 0.319 nan 8.240 nan 0.000 0.454 258 R N 0.151 120.658 120.500 0.012 0.000 2.117 258 R HA -0.207 4.133 4.340 0.000 0.000 0.243 258 R C 2.331 178.684 176.300 0.088 0.000 1.143 258 R CA 1.552 57.688 56.100 0.058 0.000 0.968 258 R CB -0.360 30.001 30.300 0.102 0.000 0.863 258 R HN 0.550 nan 8.270 nan 0.000 0.444 259 H N -0.252 118.832 119.070 0.024 0.000 2.268 259 H HA -0.047 4.509 4.556 0.000 0.000 0.304 259 H C 2.034 177.399 175.328 0.062 0.000 1.064 259 H CA 2.043 58.118 56.048 0.045 0.000 1.316 259 H CB -0.044 29.749 29.762 0.051 0.000 1.386 259 H HN 0.391 nan 8.280 nan 0.000 0.496 260 S N 0.562 116.416 115.700 0.258 0.000 2.489 260 S HA -0.070 4.400 4.470 0.000 0.000 0.228 260 S C 2.210 176.877 174.600 0.112 0.000 0.995 260 S CA 0.599 58.934 58.200 0.226 0.000 0.934 260 S CB -0.371 63.031 63.200 0.337 0.000 0.771 260 S HN 0.310 nan 8.310 nan 0.000 0.522 261 L N 2.881 124.153 121.223 0.082 0.000 1.994 261 L HA 0.046 4.386 4.340 0.000 0.000 0.208 261 L C 2.315 179.196 176.870 0.019 0.000 1.071 261 L CA 1.999 56.866 54.840 0.045 0.000 0.745 261 L CB -0.623 41.453 42.059 0.029 0.000 0.892 261 L HN 0.585 nan 8.230 nan 0.000 0.431 262 I N -3.989 116.576 120.570 -0.007 0.000 2.500 262 I HA -0.104 4.066 4.170 0.000 0.000 0.252 262 I C 2.127 178.230 176.117 -0.023 0.000 1.142 262 I CA 1.283 62.572 61.300 -0.019 0.000 1.451 262 I CB -1.069 36.915 38.000 -0.027 0.000 1.093 262 I HN 0.214 nan 8.210 nan 0.000 0.430 263 D N 2.278 122.652 120.400 -0.043 0.000 2.160 263 D HA -0.211 4.429 4.640 0.000 0.000 0.189 263 D C 2.271 178.581 176.300 0.017 0.000 1.003 263 D CA 2.552 56.544 54.000 -0.013 0.000 0.846 263 D CB -0.519 40.289 40.800 0.014 0.000 0.949 263 D HN 0.435 nan 8.370 nan 0.000 0.446 264 G N 0.293 109.110 108.800 0.029 0.000 2.476 264 G HA2 -0.249 3.711 3.960 0.000 0.000 0.218 264 G HA3 -0.249 3.711 3.960 0.000 0.000 0.218 264 G C 2.009 176.923 174.900 0.023 0.000 1.164 264 G CA 1.151 46.269 45.100 0.031 0.000 0.768 264 G HN 0.424 nan 8.290 nan 0.000 0.560 265 I N 0.904 121.485 120.570 0.019 0.000 2.252 265 I HA -0.140 4.030 4.170 0.000 0.000 0.245 265 I C 2.450 178.576 176.117 0.016 0.000 1.102 265 I CA 0.848 62.159 61.300 0.018 0.000 1.385 265 I CB -0.287 37.723 38.000 0.016 0.000 1.064 265 I HN 0.043 nan 8.210 nan 0.000 0.414 266 N N 1.036 119.741 118.700 0.010 0.000 2.205 266 N HA -0.147 4.593 4.740 0.000 0.000 0.186 266 N C 1.902 177.419 175.510 0.013 0.000 1.015 266 N CA 1.224 54.279 53.050 0.009 0.000 0.862 266 N CB -0.274 38.214 38.487 0.001 0.000 0.986 266 N HN 0.398 nan 8.380 nan 0.000 0.429 267 R N -0.124 120.386 120.500 0.016 0.000 2.062 267 R HA 0.064 4.404 4.340 0.000 0.000 0.226 267 R C 2.357 178.665 176.300 0.013 0.000 1.125 267 R CA 1.102 57.212 56.100 0.017 0.000 0.966 267 R CB -0.701 29.613 30.300 0.023 0.000 0.861 267 R HN 0.204 nan 8.270 nan 0.000 0.433 268 G N 0.202 109.010 108.800 0.014 0.000 2.440 268 G HA2 -0.314 3.646 3.960 0.000 0.000 0.218 268 G HA3 -0.314 3.646 3.960 0.000 0.000 0.218 268 G C 1.452 176.361 174.900 0.015 0.000 1.154 268 G CA 1.828 46.935 45.100 0.012 0.000 0.767 268 G HN 0.512 nan 8.290 nan 0.000 0.552 269 T N -4.582 109.984 114.554 0.020 0.000 3.051 269 T HA 0.125 4.475 4.350 0.000 0.000 0.254 269 T C 0.592 175.307 174.700 0.026 0.000 0.916 269 T CA 0.882 62.998 62.100 0.027 0.000 0.894 269 T CB 0.285 69.174 68.868 0.035 0.000 1.251 269 T HN 0.154 nan 8.240 nan 0.000 0.517 270 D N 2.120 122.532 120.400 0.020 0.000 2.686 270 D HA -0.116 4.524 4.640 0.000 0.000 0.235 270 D C 0.107 176.420 176.300 0.021 0.000 1.160 270 D CA 0.956 54.967 54.000 0.018 0.000 0.645 270 D CB -1.402 39.407 40.800 0.015 0.000 1.039 270 D HN 0.870 nan 8.370 nan 0.000 0.423 271 A N 0.573 123.407 122.820 0.024 0.000 2.292 271 A HA 0.558 4.878 4.320 0.000 0.000 0.319 271 A C 0.244 177.840 177.584 0.021 0.000 1.206 271 A CA -0.730 51.322 52.037 0.027 0.000 0.835 271 A CB 1.187 20.208 19.000 0.035 0.000 1.164 271 A HN 0.280 nan 8.150 nan 0.000 0.505 272 L N 2.966 124.200 121.223 0.019 0.000 2.499 272 L HA 0.206 4.546 4.340 0.000 0.000 0.273 272 L C 0.626 177.506 176.870 0.018 0.000 1.195 272 L CA 0.562 55.411 54.840 0.016 0.000 0.882 272 L CB 0.141 42.209 42.059 0.014 0.000 1.133 272 L HN 0.742 nan 8.230 nan 0.000 0.483 273 I N 3.496 124.076 120.570 0.016 0.000 2.585 273 I HA 0.121 4.291 4.170 0.000 0.000 0.254 273 I C 1.459 177.588 176.117 0.021 0.000 1.129 273 I CA 0.606 61.917 61.300 0.017 0.000 1.455 273 I CB -0.400 37.609 38.000 0.014 0.000 1.111 273 I HN 0.868 nan 8.210 nan 0.000 0.433 274 G N 0.198 109.011 108.800 0.020 0.000 2.272 274 G HA2 0.314 4.274 3.960 0.000 0.000 0.247 274 G HA3 0.314 4.274 3.960 0.000 0.000 0.247 274 G C 1.072 175.985 174.900 0.022 0.000 1.272 274 G CA 0.392 45.505 45.100 0.022 0.000 0.921 274 G HN 0.618 nan 8.290 nan 0.000 0.495 275 G N 1.580 110.395 108.800 0.025 0.000 2.199 275 G HA2 -0.242 3.718 3.960 0.000 0.000 0.254 275 G HA3 -0.242 3.718 3.960 0.000 0.000 0.254 275 G C 0.531 175.445 174.900 0.023 0.000 0.982 275 G CA 0.588 45.702 45.100 0.023 0.000 0.632 275 G HN 0.773 nan 8.290 nan 0.000 0.529 276 K N 0.588 121.003 120.400 0.024 0.000 2.118 276 K HA 0.489 4.809 4.320 0.000 0.000 0.254 276 K C 0.089 176.703 176.600 0.023 0.000 0.961 276 K CA -0.691 55.610 56.287 0.023 0.000 0.876 276 K CB 1.549 34.063 32.500 0.023 0.000 1.077 276 K HN 0.190 nan 8.250 nan 0.000 0.440 277 K N 1.373 121.785 120.400 0.021 0.000 2.297 277 K HA 0.255 4.575 4.320 0.000 0.000 0.286 277 K C -0.556 176.049 176.600 0.008 0.000 1.053 277 K CA -0.411 55.887 56.287 0.017 0.000 0.940 277 K CB 0.978 33.487 32.500 0.015 0.000 1.019 277 K HN 0.198 nan 8.250 nan 0.000 0.475 278 V N 5.104 125.017 119.914 -0.002 0.000 2.378 278 V HA 0.213 4.333 4.120 0.000 0.000 0.288 278 V C -0.761 175.309 176.094 -0.040 0.000 1.016 278 V CA -0.947 61.342 62.300 -0.019 0.000 0.840 278 V CB 1.341 33.148 31.823 -0.027 0.000 0.994 278 V HN 0.545 nan 8.190 nan 0.000 0.431 279 L N 6.909 128.110 121.223 -0.036 0.000 2.255 279 L HA 0.545 4.885 4.340 0.000 0.000 0.289 279 L C -0.455 176.383 176.870 -0.054 0.000 1.046 279 L CA 0.172 54.983 54.840 -0.048 0.000 0.816 279 L CB 0.705 42.739 42.059 -0.042 0.000 1.197 279 L HN 0.405 nan 8.230 nan 0.000 0.427 280 I N 4.937 125.464 120.570 -0.071 0.000 2.312 280 I HA 0.219 4.389 4.170 0.000 0.000 0.290 280 I C -0.470 175.627 176.117 -0.033 0.000 1.008 280 I CA -0.326 60.939 61.300 -0.058 0.000 1.226 280 I CB 0.987 38.935 38.000 -0.087 0.000 1.371 280 I HN 0.554 nan 8.210 nan 0.000 0.468 281 C N 5.145 124.431 119.300 -0.023 0.000 2.265 281 C HA 0.795 5.255 4.460 0.000 0.000 0.332 281 C C 0.827 175.822 174.990 0.009 0.000 1.248 281 C CA -0.405 58.605 59.018 -0.014 0.000 1.727 281 C CB -0.248 27.476 27.740 -0.028 0.000 2.348 281 C HN 1.073 nan 8.230 nan 0.000 0.519 282 G N 2.218 111.038 108.800 0.035 0.000 2.906 282 G HA2 -0.034 3.926 3.960 0.000 0.000 0.686 282 G HA3 -0.034 3.926 3.960 0.000 0.000 0.686 282 G C -1.173 173.799 174.900 0.119 0.000 1.170 282 G CA -0.638 44.495 45.100 0.055 0.000 0.775 282 G HN 0.769 nan 8.290 nan 0.000 0.630 283 Y N 2.293 122.576 120.300 -0.028 0.000 2.666 283 Y HA 0.506 5.056 4.550 0.000 0.000 0.264 283 Y C 1.395 177.282 175.900 -0.021 0.000 1.054 283 Y CA 0.456 58.541 58.100 -0.026 0.000 1.121 283 Y CB 0.092 38.547 38.460 -0.008 0.000 1.190 283 Y HN 0.998 nan 8.280 nan 0.000 0.587 284 G N 0.104 108.849 108.800 -0.091 0.000 2.481 284 G HA2 -0.070 3.890 3.960 0.000 0.000 0.251 284 G HA3 -0.070 3.890 3.960 0.000 0.000 0.251 284 G C 0.743 175.501 174.900 -0.237 0.000 1.492 284 G CA 0.321 45.348 45.100 -0.122 0.000 1.060 284 G HN 0.291 nan 8.290 nan 0.000 0.553 285 D N -1.183 119.108 120.400 -0.181 0.000 2.178 285 D HA -0.100 4.540 4.640 0.000 0.000 0.202 285 D C 2.708 178.876 176.300 -0.219 0.000 0.974 285 D CA 0.695 54.560 54.000 -0.224 0.000 0.841 285 D CB -0.023 40.667 40.800 -0.183 0.000 0.953 285 D HN 0.058 nan 8.370 nan 0.000 0.478 286 V N 1.125 120.951 119.914 -0.147 0.000 2.323 286 V HA -0.106 4.014 4.120 0.000 0.000 0.244 286 V C 2.615 178.634 176.094 -0.124 0.000 1.041 286 V CA 1.913 64.153 62.300 -0.099 0.000 1.025 286 V CB -0.841 30.961 31.823 -0.035 0.000 0.656 286 V HN 0.203 nan 8.190 nan 0.000 0.451 287 G N -0.448 108.261 108.800 -0.152 0.000 2.422 287 G HA2 -0.251 3.709 3.960 0.000 0.000 0.218 287 G HA3 -0.251 3.709 3.960 0.000 0.000 0.218 287 G C 1.687 176.423 174.900 -0.273 0.000 1.146 287 G CA 0.868 45.880 45.100 -0.146 0.000 0.769 287 G HN 0.448 nan 8.290 nan 0.000 0.547 288 K N 0.005 120.087 120.400 -0.530 0.000 2.025 288 K HA -0.016 4.304 4.320 0.000 0.000 0.207 288 K C 2.795 179.260 176.600 -0.224 0.000 1.049 288 K CA 0.955 56.891 56.287 -0.586 0.000 0.933 288 K CB -0.478 31.644 32.500 -0.630 0.000 0.714 288 K HN 0.249 nan 8.250 nan 0.000 0.438 289 G N 1.140 109.822 108.800 -0.196 0.000 2.491 289 G HA2 -0.311 3.649 3.960 0.000 0.000 0.218 289 G HA3 -0.311 3.649 3.960 0.000 0.000 0.218 289 G C 1.674 176.543 174.900 -0.052 0.000 1.180 289 G CA 1.223 46.261 45.100 -0.104 0.000 0.774 289 G HN 0.342 nan 8.290 nan 0.000 0.562 290 C N 0.866 120.127 119.300 -0.065 0.000 2.367 290 C HA -0.011 4.449 4.460 0.000 0.000 0.276 290 C C 3.581 178.536 174.990 -0.060 0.000 1.195 290 C CA 1.374 60.362 59.018 -0.048 0.000 1.756 290 C CB -1.114 26.595 27.740 -0.053 0.000 2.046 290 C HN 0.592 nan 8.230 nan 0.000 0.453 291 A N -0.407 122.354 122.820 -0.098 0.000 1.898 291 A HA -0.204 4.116 4.320 0.000 0.000 0.216 291 A C 2.079 179.666 177.584 0.006 0.000 1.181 291 A CA 1.844 53.754 52.037 -0.211 0.000 0.620 291 A CB -0.728 17.980 19.000 -0.488 0.000 0.819 291 A HN 0.724 nan 8.150 nan 0.000 0.442 292 E N -0.167 120.096 120.200 0.106 0.000 2.049 292 E HA -0.227 4.123 4.350 0.000 0.000 0.198 292 E C 2.227 178.890 176.600 0.105 0.000 1.007 292 E CA 1.358 57.851 56.400 0.156 0.000 0.809 292 E CB -0.276 29.498 29.700 0.124 0.000 0.749 292 E HN 0.552 nan 8.360 nan 0.000 0.450 293 A N 0.778 123.632 122.820 0.056 0.000 1.883 293 A HA -0.215 4.105 4.320 0.000 0.000 0.217 293 A C 2.174 179.780 177.584 0.037 0.000 1.186 293 A CA 1.929 53.990 52.037 0.040 0.000 0.624 293 A CB -0.434 18.578 19.000 0.020 0.000 0.822 293 A HN 0.279 nan 8.150 nan 0.000 0.444 294 M N -0.637 118.977 119.600 0.024 0.000 2.175 294 M HA -0.074 4.406 4.480 0.000 0.000 0.264 294 M C 2.082 178.421 176.300 0.065 0.000 1.063 294 M CA 1.405 56.718 55.300 0.023 0.000 1.119 294 M CB -1.069 31.523 32.600 -0.014 0.000 1.377 294 M HN 0.439 nan 8.290 nan 0.000 0.415 295 K N 0.354 120.828 120.400 0.122 0.000 2.032 295 K HA -0.140 4.180 4.320 0.000 0.000 0.209 295 K C 1.932 178.601 176.600 0.116 0.000 1.048 295 K CA 1.763 58.164 56.287 0.191 0.000 0.927 295 K CB -0.377 32.325 32.500 0.336 0.000 0.712 295 K HN 0.432 nan 8.250 nan 0.000 0.441 296 G N 0.128 108.984 108.800 0.093 0.000 2.534 296 G HA2 -0.167 3.793 3.960 0.000 0.000 0.217 296 G HA3 -0.167 3.793 3.960 0.000 0.000 0.217 296 G C 1.238 176.165 174.900 0.044 0.000 1.128 296 G CA 0.084 45.222 45.100 0.064 0.000 0.784 296 G HN 0.289 nan 8.290 nan 0.000 0.542 297 Q N -0.318 119.507 119.800 0.042 0.000 2.360 297 Q HA 0.172 4.512 4.340 0.000 0.000 0.202 297 Q C 1.518 177.538 176.000 0.032 0.000 0.915 297 Q CA 0.631 56.452 55.803 0.029 0.000 0.943 297 Q CB 0.768 29.517 28.738 0.020 0.000 1.064 297 Q HN 0.524 nan 8.270 nan 0.000 0.511 298 G N 0.553 109.380 108.800 0.044 0.000 2.135 298 G HA2 -0.185 3.775 3.960 0.000 0.000 0.183 298 G HA3 -0.185 3.775 3.960 0.000 0.000 0.183 298 G C 0.195 175.123 174.900 0.047 0.000 1.004 298 G CA 0.031 45.156 45.100 0.043 0.000 0.677 298 G HN 0.497 nan 8.290 nan 0.000 0.512 299 A N -0.258 122.596 122.820 0.056 0.000 2.304 299 A HA 0.807 5.127 4.320 0.000 0.000 0.271 299 A C 0.680 178.307 177.584 0.073 0.000 1.091 299 A CA -0.202 51.865 52.037 0.051 0.000 0.812 299 A CB 0.434 19.457 19.000 0.038 0.000 1.056 299 A HN 0.468 nan 8.150 nan 0.000 0.489 300 R N 0.806 121.341 120.500 0.059 0.000 2.280 300 R HA 0.417 4.757 4.340 0.000 0.000 0.326 300 R C -1.253 175.090 176.300 0.072 0.000 1.080 300 R CA -0.179 55.965 56.100 0.073 0.000 1.002 300 R CB 0.911 31.240 30.300 0.049 0.000 1.136 300 R HN 0.408 nan 8.270 nan 0.000 0.509 301 V N 2.288 122.278 119.914 0.127 0.000 2.407 301 V HA 0.311 4.431 4.120 0.000 0.000 0.278 301 V C 0.113 176.232 176.094 0.041 0.000 1.037 301 V CA -0.273 62.038 62.300 0.017 0.000 0.900 301 V CB 1.682 33.384 31.823 -0.201 0.000 0.983 301 V HN 0.657 nan 8.190 nan 0.000 0.459 302 S N 3.188 118.861 115.700 -0.046 0.000 2.566 302 S HA 0.819 5.289 4.470 0.000 0.000 0.298 302 S C -0.651 173.891 174.600 -0.098 0.000 1.083 302 S CA -0.559 57.623 58.200 -0.029 0.000 0.978 302 S CB 2.186 65.382 63.200 -0.008 0.000 1.073 302 S HN 0.441 nan 8.310 nan 0.000 0.491 303 V N 1.791 121.659 119.914 -0.077 0.000 2.823 303 V HA 0.726 4.846 4.120 0.000 0.000 0.312 303 V C 0.118 176.181 176.094 -0.052 0.000 1.072 303 V CA -0.754 61.494 62.300 -0.087 0.000 0.937 303 V CB 2.226 33.957 31.823 -0.154 0.000 1.013 303 V HN 1.023 nan 8.190 nan 0.000 0.430 304 T N 0.633 115.167 114.554 -0.032 0.000 2.940 304 T HA 0.852 5.202 4.350 0.000 0.000 0.288 304 T C -0.904 173.795 174.700 -0.001 0.000 1.033 304 T CA -0.510 61.575 62.100 -0.026 0.000 1.033 304 T CB 2.354 71.199 68.868 -0.038 0.000 1.079 304 T HN 0.648 nan 8.240 nan 0.000 0.496 305 E N 0.678 120.877 120.200 -0.001 0.000 2.388 305 E HA 0.265 4.616 4.350 0.000 0.000 0.280 305 E C 0.109 176.714 176.600 0.008 0.000 1.019 305 E CA -0.461 55.949 56.400 0.017 0.000 0.806 305 E CB 1.836 31.556 29.700 0.034 0.000 1.246 305 E HN 0.783 nan 8.360 nan 0.000 0.443 306 I N -2.188 118.389 120.570 0.012 0.000 3.854 306 I HA 0.325 4.495 4.170 0.000 0.000 0.312 306 I C 0.581 176.703 176.117 0.008 0.000 1.273 306 I CA 0.174 61.477 61.300 0.006 0.000 1.298 306 I CB 0.421 38.425 38.000 0.005 0.000 1.071 306 I HN 0.067 nan 8.210 nan 0.000 0.428 307 D N 2.682 123.091 120.400 0.016 0.000 2.349 307 D HA 0.283 4.923 4.640 0.000 0.000 0.232 307 D C -1.725 174.586 176.300 0.019 0.000 1.071 307 D CA -2.405 51.606 54.000 0.017 0.000 0.832 307 D CB 2.227 43.042 40.800 0.025 0.000 1.086 307 D HN -0.068 nan 8.370 nan 0.000 0.504 308 P HA -0.078 nan 4.420 nan 0.000 0.220 308 P C 1.743 179.049 177.300 0.010 0.000 1.148 308 P CA 0.718 63.821 63.100 0.005 0.000 0.803 308 P CB 0.590 32.289 31.700 -0.001 0.000 0.782 309 I N 0.056 120.636 120.570 0.018 0.000 2.163 309 I HA -0.196 3.974 4.170 0.000 0.000 0.240 309 I C 2.343 178.493 176.117 0.055 0.000 1.081 309 I CA 1.318 62.634 61.300 0.026 0.000 1.353 309 I CB -1.025 36.988 38.000 0.021 0.000 1.054 309 I HN -0.043 nan 8.210 nan 0.000 0.407 310 N N 1.387 120.135 118.700 0.080 0.000 2.166 310 N HA -0.154 4.586 4.740 0.000 0.000 0.186 310 N C 1.991 177.578 175.510 0.128 0.000 1.019 310 N CA 1.550 54.703 53.050 0.170 0.000 0.856 310 N CB -0.133 38.463 38.487 0.182 0.000 0.993 310 N HN 0.366 nan 8.380 nan 0.000 0.426 311 A N 1.476 124.320 122.820 0.040 0.000 1.898 311 A HA -0.088 4.232 4.320 0.000 0.000 0.216 311 A C 2.198 179.747 177.584 -0.058 0.000 1.181 311 A CA 0.847 52.864 52.037 -0.033 0.000 0.620 311 A CB -0.597 18.392 19.000 -0.018 0.000 0.819 311 A HN 0.169 nan 8.150 nan 0.000 0.442 312 L N -0.191 121.020 121.223 -0.020 0.000 2.141 312 L HA -0.158 4.182 4.340 0.000 0.000 0.209 312 L C 2.425 179.281 176.870 -0.023 0.000 1.094 312 L CA 1.995 56.822 54.840 -0.022 0.000 0.763 312 L CB -0.578 41.477 42.059 -0.007 0.000 0.908 312 L HN 0.491 nan 8.230 nan 0.000 0.437 313 Q N -1.315 118.492 119.800 0.012 0.000 2.123 313 Q HA -0.102 4.238 4.340 0.000 0.000 0.199 313 Q C 2.272 178.241 176.000 -0.052 0.000 0.966 313 Q CA 1.318 57.158 55.803 0.062 0.000 0.845 313 Q CB -0.240 28.637 28.738 0.230 0.000 0.907 313 Q HN 0.654 nan 8.270 nan 0.000 0.439 314 A N 0.914 123.517 122.820 -0.361 0.000 1.877 314 A HA -0.199 4.121 4.320 0.000 0.000 0.216 314 A C 2.079 179.551 177.584 -0.186 0.000 1.186 314 A CA 1.363 53.016 52.037 -0.639 0.000 0.620 314 A CB -0.510 17.981 19.000 -0.850 0.000 0.822 314 A HN 0.274 nan 8.150 nan 0.000 0.443 315 M N -1.061 118.454 119.600 -0.142 0.000 2.065 315 M HA -0.192 4.289 4.480 0.000 0.000 0.259 315 M C 2.121 178.353 176.300 -0.114 0.000 1.069 315 M CA 1.506 56.747 55.300 -0.099 0.000 1.110 315 M CB -0.613 31.946 32.600 -0.069 0.000 1.328 315 M HN 0.299 nan 8.290 nan 0.000 0.405 316 M N -0.385 119.163 119.600 -0.087 0.000 2.435 316 M HA -0.144 4.336 4.480 0.000 0.000 0.262 316 M C 1.336 177.566 176.300 -0.117 0.000 1.065 316 M CA 1.369 56.623 55.300 -0.078 0.000 1.076 316 M CB -1.342 31.237 32.600 -0.035 0.000 1.403 316 M HN 0.179 nan 8.290 nan 0.000 0.454 317 E N -0.318 119.778 120.200 -0.174 0.000 2.479 317 E HA 0.254 4.604 4.350 0.000 0.000 0.193 317 E C 0.873 177.037 176.600 -0.726 0.000 1.049 317 E CA 0.531 56.753 56.400 -0.298 0.000 0.870 317 E CB 0.032 29.679 29.700 -0.089 0.000 0.944 317 E HN 0.559 nan 8.360 nan 0.000 0.492 318 G N 0.208 108.658 108.800 -0.585 0.000 2.164 318 G HA2 -0.208 3.752 3.960 0.000 0.000 0.212 318 G HA3 -0.208 3.752 3.960 0.000 0.000 0.212 318 G C -0.482 174.062 174.900 -0.594 0.000 1.031 318 G CA -0.186 44.585 45.100 -0.548 0.000 0.730 318 G HN 0.092 nan 8.290 nan 0.000 0.501 319 F N 0.977 120.880 119.950 -0.078 0.000 2.493 319 F HA 0.493 5.020 4.527 0.000 0.000 0.329 319 F C 0.267 176.008 175.800 -0.099 0.000 1.126 319 F CA -2.009 55.937 58.000 -0.090 0.000 0.937 319 F CB 1.341 40.260 39.000 -0.135 0.000 1.146 319 F HN -0.098 nan 8.300 nan 0.000 0.442 320 D N 1.668 122.140 120.400 0.120 0.000 2.449 320 D HA 0.171 4.811 4.640 0.000 0.000 0.236 320 D C -0.329 175.981 176.300 0.017 0.000 1.149 320 D CA 0.370 54.394 54.000 0.040 0.000 0.878 320 D CB 1.278 42.094 40.800 0.028 0.000 1.198 320 D HN 0.126 nan 8.370 nan 0.000 0.446 321 V N 2.734 122.640 119.914 -0.013 0.000 2.347 321 V HA 0.396 4.516 4.120 0.000 0.000 0.280 321 V C 0.233 176.312 176.094 -0.024 0.000 1.021 321 V CA -0.530 61.751 62.300 -0.031 0.000 0.847 321 V CB 1.353 33.148 31.823 -0.047 0.000 0.990 321 V HN 0.417 nan 8.190 nan 0.000 0.444 322 V N 2.047 121.945 119.914 -0.026 0.000 3.078 322 V HA 0.842 4.962 4.120 0.000 0.000 0.311 322 V C -0.050 176.025 176.094 -0.032 0.000 1.138 322 V CA -0.604 61.681 62.300 -0.024 0.000 1.007 322 V CB 2.127 33.937 31.823 -0.022 0.000 1.045 322 V HN 0.806 nan 8.190 nan 0.000 0.432 323 T N -0.378 114.157 114.554 -0.032 0.000 2.913 323 T HA 0.458 4.808 4.350 0.000 0.000 0.287 323 T C 1.072 175.731 174.700 -0.069 0.000 1.008 323 T CA 0.153 62.227 62.100 -0.042 0.000 1.067 323 T CB 1.465 70.317 68.868 -0.026 0.000 0.996 323 T HN 0.807 nan 8.240 nan 0.000 0.513 324 V N 2.178 122.020 119.914 -0.120 0.000 2.324 324 V HA -0.177 3.943 4.120 0.000 0.000 0.250 324 V C 2.722 178.714 176.094 -0.170 0.000 1.060 324 V CA 2.259 64.431 62.300 -0.213 0.000 1.042 324 V CB -1.083 30.476 31.823 -0.440 0.000 0.650 324 V HN 0.948 nan 8.190 nan 0.000 0.450 325 E N 0.455 120.601 120.200 -0.089 0.000 2.086 325 E HA -0.287 4.063 4.350 0.000 0.000 0.200 325 E C 2.193 178.795 176.600 0.004 0.000 1.012 325 E CA 2.073 58.485 56.400 0.021 0.000 0.812 325 E CB -0.279 29.453 29.700 0.054 0.000 0.743 325 E HN 0.914 nan 8.360 nan 0.000 0.453 326 E N -0.426 119.766 120.200 -0.012 0.000 2.230 326 E HA 0.062 4.412 4.350 0.000 0.000 0.192 326 E C 1.868 178.460 176.600 -0.014 0.000 0.987 326 E CA 0.824 57.218 56.400 -0.009 0.000 0.841 326 E CB 0.034 29.729 29.700 -0.009 0.000 0.783 326 E HN 0.206 nan 8.360 nan 0.000 0.481 327 A N 1.044 123.847 122.820 -0.028 0.000 2.030 327 A HA 0.089 4.410 4.320 0.000 0.000 0.215 327 A C 2.091 179.659 177.584 -0.026 0.000 1.164 327 A CA 0.259 52.279 52.037 -0.028 0.000 0.697 327 A CB -0.279 18.698 19.000 -0.039 0.000 0.827 327 A HN 0.253 nan 8.150 nan 0.000 0.457 328 I N 0.679 121.229 120.570 -0.034 0.000 2.264 328 I HA -0.155 4.016 4.170 0.000 0.000 0.248 328 I C 2.240 178.355 176.117 -0.005 0.000 1.111 328 I CA 1.477 62.760 61.300 -0.027 0.000 1.382 328 I CB -0.497 37.489 38.000 -0.024 0.000 1.060 328 I HN 0.237 nan 8.210 nan 0.000 0.418 329 G N -0.745 108.055 108.800 0.000 0.000 2.471 329 G HA2 -0.179 3.781 3.960 0.000 0.000 0.219 329 G HA3 -0.179 3.781 3.960 0.000 0.000 0.219 329 G C 1.312 176.217 174.900 0.009 0.000 1.125 329 G CA 0.870 45.973 45.100 0.005 0.000 0.775 329 G HN 0.401 nan 8.290 nan 0.000 0.548 330 D N 0.365 120.769 120.400 0.006 0.000 2.355 330 D HA 0.199 4.839 4.640 0.000 0.000 0.206 330 D C 1.494 177.801 176.300 0.012 0.000 1.010 330 D CA 0.215 54.221 54.000 0.009 0.000 0.875 330 D CB 0.381 41.184 40.800 0.006 0.000 0.966 330 D HN 0.261 nan 8.370 nan 0.000 0.512 331 A N 1.316 124.141 122.820 0.008 0.000 2.450 331 A HA 0.088 4.408 4.320 0.000 0.000 0.255 331 A C 0.825 178.421 177.584 0.020 0.000 1.096 331 A CA -0.062 51.980 52.037 0.008 0.000 0.778 331 A CB 0.526 19.524 19.000 -0.003 0.000 1.031 331 A HN -0.063 nan 8.150 nan 0.000 0.494 332 D N 1.203 121.617 120.400 0.023 0.000 2.305 332 D HA 0.151 4.791 4.640 0.000 0.000 0.206 332 D C 0.005 176.326 176.300 0.035 0.000 0.974 332 D CA 1.237 55.258 54.000 0.034 0.000 0.871 332 D CB 0.343 41.162 40.800 0.032 0.000 0.947 332 D HN 0.539 nan 8.370 nan 0.000 0.516 333 I N 0.800 121.383 120.570 0.023 0.000 2.692 333 I HA 0.175 4.345 4.170 0.000 0.000 0.293 333 I C -1.149 174.973 176.117 0.008 0.000 1.200 333 I CA -0.772 60.541 61.300 0.021 0.000 1.036 333 I CB 3.305 41.315 38.000 0.017 0.000 1.258 333 I HN -0.395 nan 8.210 nan 0.000 0.421 334 V N 6.433 126.352 119.914 0.009 0.000 2.444 334 V HA 0.479 4.599 4.120 0.000 0.000 0.294 334 V C -0.445 175.647 176.094 -0.002 0.000 1.022 334 V CA -0.668 61.629 62.300 -0.004 0.000 0.850 334 V CB 2.051 33.871 31.823 -0.005 0.000 0.992 334 V HN 0.393 nan 8.190 nan 0.000 0.426 335 V N 3.876 123.783 119.914 -0.012 0.000 2.448 335 V HA 0.537 4.658 4.120 0.000 0.000 0.295 335 V C 0.334 176.422 176.094 -0.009 0.000 1.025 335 V CA -0.531 61.766 62.300 -0.006 0.000 0.859 335 V CB 2.219 34.036 31.823 -0.009 0.000 0.988 335 V HN 0.980 nan 8.190 nan 0.000 0.431 336 T N 1.401 115.955 114.554 -0.000 0.000 2.799 336 T HA 0.726 5.076 4.350 0.000 0.000 0.286 336 T C 0.156 174.858 174.700 0.004 0.000 0.973 336 T CA -0.072 62.027 62.100 -0.000 0.000 1.035 336 T CB 1.683 70.555 68.868 0.006 0.000 0.932 336 T HN 1.008 nan 8.240 nan 0.000 0.469 337 A N 2.512 125.333 122.820 0.001 0.000 2.806 337 A HA 0.472 4.792 4.320 0.000 0.000 0.266 337 A C 1.367 178.951 177.584 0.001 0.000 0.926 337 A CA 0.045 52.081 52.037 -0.000 0.000 1.068 337 A CB -0.218 18.774 19.000 -0.013 0.000 1.189 337 A HN 0.993 nan 8.150 nan 0.000 0.481 338 T N -4.630 109.930 114.554 0.010 0.000 3.021 338 T HA 0.409 4.759 4.350 0.000 0.000 0.245 338 T C 1.595 176.304 174.700 0.016 0.000 1.028 338 T CA 1.229 63.337 62.100 0.013 0.000 1.139 338 T CB -0.059 68.818 68.868 0.015 0.000 0.884 338 T HN 1.830 nan 8.240 nan 0.000 0.457 339 G N 1.501 110.316 108.800 0.025 0.000 2.141 339 G HA2 -0.187 3.773 3.960 0.000 0.000 0.231 339 G HA3 -0.187 3.773 3.960 0.000 0.000 0.231 339 G C -0.114 174.816 174.900 0.049 0.000 0.984 339 G CA 0.087 45.207 45.100 0.033 0.000 0.660 339 G HN 0.814 nan 8.290 nan 0.000 0.525 340 N N 0.440 119.166 118.700 0.043 0.000 2.402 340 N HA 0.628 5.368 4.740 0.000 0.000 0.294 340 N C 0.184 175.719 175.510 0.042 0.000 1.203 340 N CA -0.452 52.619 53.050 0.036 0.000 0.838 340 N CB 1.249 39.749 38.487 0.021 0.000 1.306 340 N HN 0.566 nan 8.380 nan 0.000 0.510 341 K N 0.023 120.440 120.400 0.028 0.000 2.087 341 K HA 0.474 4.794 4.320 0.000 0.000 0.255 341 K C -0.986 175.625 176.600 0.017 0.000 0.988 341 K CA -0.417 55.883 56.287 0.022 0.000 0.915 341 K CB 0.705 33.205 32.500 0.000 0.000 1.043 341 K HN 0.369 nan 8.250 nan 0.000 0.457 342 D N 0.481 120.893 120.400 0.020 0.000 2.809 342 D HA -0.118 4.522 4.640 0.000 0.000 0.234 342 D C 0.235 176.566 176.300 0.052 0.000 1.111 342 D CA 0.501 54.518 54.000 0.027 0.000 0.726 342 D CB -1.014 39.795 40.800 0.014 0.000 1.089 342 D HN 0.561 nan 8.370 nan 0.000 0.436 343 I N -0.742 119.855 120.570 0.046 0.000 2.731 343 I HA 0.025 4.195 4.170 0.000 0.000 0.260 343 I C 1.072 177.212 176.117 0.039 0.000 1.138 343 I CA 0.713 62.032 61.300 0.030 0.000 1.461 343 I CB 0.168 38.171 38.000 0.006 0.000 1.128 343 I HN 0.088 nan 8.210 nan 0.000 0.438 344 I N 2.909 123.527 120.570 0.080 0.000 2.537 344 I HA 0.259 4.429 4.170 0.000 0.000 0.276 344 I C 0.054 176.281 176.117 0.183 0.000 1.063 344 I CA -0.389 60.992 61.300 0.136 0.000 1.144 344 I CB 1.050 39.072 38.000 0.038 0.000 1.252 344 I HN -0.046 nan 8.210 nan 0.000 0.480 345 M N 3.728 123.526 119.600 0.329 0.000 2.114 345 M HA 0.170 4.650 4.480 0.000 0.000 0.293 345 M C 1.429 177.704 176.300 -0.040 0.000 1.201 345 M CA -0.516 54.800 55.300 0.025 0.000 1.107 345 M CB 0.546 33.050 32.600 -0.160 0.000 1.405 345 M HN 0.402 nan 8.290 nan 0.000 0.486 346 L N 1.169 122.343 121.223 -0.081 0.000 2.083 346 L HA -0.151 4.190 4.340 0.000 0.000 0.209 346 L C 2.192 178.981 176.870 -0.134 0.000 1.083 346 L CA 1.906 56.702 54.840 -0.073 0.000 0.752 346 L CB -0.556 41.475 42.059 -0.047 0.000 0.899 346 L HN 0.725 nan 8.230 nan 0.000 0.433 347 E N -1.071 119.004 120.200 -0.208 0.000 2.085 347 E HA -0.275 4.075 4.350 0.000 0.000 0.194 347 E C 2.025 178.518 176.600 -0.178 0.000 0.994 347 E CA 1.813 58.075 56.400 -0.230 0.000 0.801 347 E CB -0.133 29.409 29.700 -0.264 0.000 0.743 347 E HN 0.729 nan 8.360 nan 0.000 0.453 348 H N -0.116 118.909 119.070 -0.074 0.000 2.321 348 H HA -0.091 4.465 4.556 0.000 0.000 0.300 348 H C 2.274 177.556 175.328 -0.076 0.000 1.087 348 H CA 1.344 57.354 56.048 -0.064 0.000 1.319 348 H CB -0.000 29.736 29.762 -0.042 0.000 1.379 348 H HN 0.148 nan 8.280 nan 0.000 0.501 349 I N 0.931 121.529 120.570 0.046 0.000 2.286 349 I HA -0.233 3.937 4.170 0.000 0.000 0.248 349 I C 2.021 178.056 176.117 -0.137 0.000 1.115 349 I CA 1.262 62.569 61.300 0.011 0.000 1.392 349 I CB -0.166 37.872 38.000 0.063 0.000 1.065 349 I HN 0.194 nan 8.210 nan 0.000 0.418 350 K N 0.797 120.991 120.400 -0.344 0.000 2.362 350 K HA -0.030 4.290 4.320 0.000 0.000 0.200 350 K C 1.975 178.382 176.600 -0.322 0.000 1.046 350 K CA 1.164 57.067 56.287 -0.640 0.000 0.952 350 K CB -0.047 32.093 32.500 -0.601 0.000 0.753 350 K HN 0.330 nan 8.250 nan 0.000 0.466 351 A N 0.710 123.436 122.820 -0.157 0.000 2.147 351 A HA 0.121 4.441 4.320 0.000 0.000 0.211 351 A C 0.952 178.516 177.584 -0.032 0.000 1.160 351 A CA -0.038 51.956 52.037 -0.071 0.000 0.781 351 A CB -0.071 18.918 19.000 -0.019 0.000 0.842 351 A HN 0.124 nan 8.150 nan 0.000 0.475 352 M N 1.412 120.999 119.600 -0.022 0.000 2.252 352 M HA 0.121 4.601 4.480 0.000 0.000 0.333 352 M C 0.454 176.775 176.300 0.035 0.000 1.111 352 M CA 0.131 55.441 55.300 0.018 0.000 1.140 352 M CB 0.592 33.218 32.600 0.043 0.000 1.538 352 M HN 0.385 nan 8.290 nan 0.000 0.448 353 K N 0.872 121.301 120.400 0.047 0.000 2.138 353 K HA 0.201 4.521 4.320 0.000 0.000 0.251 353 K C -0.556 176.104 176.600 0.101 0.000 1.015 353 K CA -0.838 55.486 56.287 0.062 0.000 0.917 353 K CB 0.345 32.877 32.500 0.053 0.000 1.021 353 K HN 0.412 nan 8.250 nan 0.000 0.485 354 D N 0.663 121.137 120.400 0.122 0.000 2.450 354 D HA -0.072 4.568 4.640 0.000 0.000 0.247 354 D C -0.229 176.231 176.300 0.267 0.000 1.162 354 D CA 0.912 55.032 54.000 0.199 0.000 0.879 354 D CB -0.066 40.849 40.800 0.192 0.000 1.163 354 D HN 0.768 nan 8.370 nan 0.000 0.472 355 H N 0.296 119.414 119.070 0.080 0.000 3.080 355 H HA -0.209 4.347 4.556 0.000 0.000 0.254 355 H C 0.169 175.535 175.328 0.062 0.000 1.179 355 H CA 0.377 56.467 56.048 0.070 0.000 1.144 355 H CB -1.531 28.262 29.762 0.051 0.000 1.261 355 H HN 0.512 nan 8.280 nan 0.000 0.333 356 A N 0.797 123.701 122.820 0.140 0.000 2.448 356 A HA 0.427 4.747 4.320 0.000 0.000 0.239 356 A C 0.690 178.323 177.584 0.081 0.000 1.080 356 A CA 0.190 52.284 52.037 0.095 0.000 0.779 356 A CB 0.420 19.464 19.000 0.074 0.000 1.026 356 A HN 0.289 nan 8.150 nan 0.000 0.499 357 I N 0.258 120.867 120.570 0.065 0.000 2.460 357 I HA 0.407 4.577 4.170 0.000 0.000 0.298 357 I C -0.575 175.572 176.117 0.050 0.000 0.989 357 I CA -0.405 60.930 61.300 0.058 0.000 1.173 357 I CB 1.748 39.779 38.000 0.051 0.000 1.338 357 I HN 0.535 nan 8.210 nan 0.000 0.456 358 L N 6.033 127.289 121.223 0.055 0.000 2.376 358 L HA 0.878 5.218 4.340 0.000 0.000 0.275 358 L C -0.423 176.474 176.870 0.045 0.000 0.987 358 L CA 0.062 54.929 54.840 0.045 0.000 0.828 358 L CB 1.383 43.470 42.059 0.046 0.000 1.249 358 L HN 0.591 nan 8.230 nan 0.000 0.409 359 G N 2.771 111.591 108.800 0.034 0.000 2.571 359 G HA2 0.444 4.404 3.960 0.000 0.000 0.304 359 G HA3 0.444 4.404 3.960 0.000 0.000 0.304 359 G C -1.729 173.189 174.900 0.030 0.000 1.314 359 G CA -0.721 44.401 45.100 0.037 0.000 0.975 359 G HN 0.680 nan 8.290 nan 0.000 0.485 360 N N 0.636 119.357 118.700 0.036 0.000 2.372 360 N HA 0.441 5.181 4.740 0.000 0.000 0.291 360 N C -0.072 175.454 175.510 0.025 0.000 1.024 360 N CA -0.786 52.282 53.050 0.029 0.000 0.873 360 N CB 1.753 40.261 38.487 0.036 0.000 1.206 360 N HN 0.312 nan 8.380 nan 0.000 0.486 361 I N 1.642 122.223 120.570 0.018 0.000 4.050 361 I HA 0.417 4.587 4.170 0.000 0.000 0.327 361 I C 0.894 177.019 176.117 0.012 0.000 1.473 361 I CA -0.400 60.909 61.300 0.015 0.000 1.124 361 I CB -0.111 37.902 38.000 0.022 0.000 1.129 361 I HN 0.655 nan 8.210 nan 0.000 0.428 362 G N -0.437 108.370 108.800 0.012 0.000 2.529 362 G HA2 -0.143 3.817 3.960 0.000 0.000 0.277 362 G HA3 -0.143 3.817 3.960 0.000 0.000 0.277 362 G C 0.438 175.337 174.900 -0.001 0.000 1.383 362 G CA 0.225 45.333 45.100 0.014 0.000 1.050 362 G HN 0.449 nan 8.290 nan 0.000 0.526 363 H N -1.791 117.188 119.070 -0.152 0.000 2.465 363 H HA 0.269 4.825 4.556 0.000 0.000 0.289 363 H C 0.035 175.147 175.328 -0.361 0.000 1.022 363 H CA 0.452 56.317 56.048 -0.306 0.000 1.340 363 H CB 0.095 29.567 29.762 -0.484 0.000 1.437 363 H HN 0.177 nan 8.280 nan 0.000 0.539 364 F N 0.639 120.594 119.950 0.009 0.000 2.523 364 F HA 0.173 4.700 4.527 0.000 0.000 0.329 364 F C 1.135 176.910 175.800 -0.042 0.000 1.061 364 F CA -1.346 56.623 58.000 -0.051 0.000 0.967 364 F CB 1.207 40.213 39.000 0.009 0.000 1.218 364 F HN 0.180 nan 8.300 nan 0.000 0.480 365 D N -0.319 120.184 120.400 0.172 0.000 2.363 365 D HA -0.136 4.504 4.640 0.000 0.000 0.226 365 D C 0.840 177.180 176.300 0.066 0.000 1.020 365 D CA 0.568 54.617 54.000 0.081 0.000 0.892 365 D CB -0.551 40.275 40.800 0.043 0.000 0.900 365 D HN 0.541 nan 8.370 nan 0.000 0.531 366 N N 1.315 120.066 118.700 0.085 0.000 2.550 366 N HA -0.155 4.585 4.740 0.000 0.000 0.186 366 N C 1.171 176.707 175.510 0.043 0.000 1.110 366 N CA 0.333 53.408 53.050 0.042 0.000 0.912 366 N CB -0.354 38.140 38.487 0.012 0.000 0.968 366 N HN 0.304 nan 8.380 nan 0.000 0.448 367 E N 0.224 120.460 120.200 0.060 0.000 2.085 367 E HA -0.046 4.304 4.350 0.000 0.000 0.194 367 E C 0.256 176.875 176.600 0.032 0.000 0.994 367 E CA 0.760 57.186 56.400 0.044 0.000 0.801 367 E CB 0.069 29.795 29.700 0.043 0.000 0.743 367 E HN 0.461 nan 8.360 nan 0.000 0.453 368 I N 1.681 122.267 120.570 0.028 0.000 2.428 368 I HA 0.024 4.194 4.170 0.000 0.000 0.296 368 I C 0.271 176.389 176.117 0.002 0.000 0.985 368 I CA -0.572 60.737 61.300 0.016 0.000 1.260 368 I CB 1.201 39.207 38.000 0.009 0.000 1.389 368 I HN -0.210 nan 8.210 nan 0.000 0.484 369 D N 6.278 126.675 120.400 -0.005 0.000 2.662 369 D HA 0.009 4.649 4.640 0.000 0.000 0.228 369 D C 1.051 177.313 176.300 -0.063 0.000 1.090 369 D CA 0.249 54.234 54.000 -0.026 0.000 1.118 369 D CB 0.438 41.223 40.800 -0.025 0.000 1.129 369 D HN 0.324 nan 8.370 nan 0.000 0.472 370 M N 0.936 120.504 119.600 -0.053 0.000 2.156 370 M HA -0.052 4.428 4.480 0.000 0.000 0.264 370 M C 2.091 178.344 176.300 -0.077 0.000 1.067 370 M CA 0.715 55.967 55.300 -0.080 0.000 1.131 370 M CB -1.200 31.388 32.600 -0.020 0.000 1.368 370 M HN 0.368 nan 8.290 nan 0.000 0.416 371 A N 0.442 123.240 122.820 -0.037 0.000 1.883 371 A HA -0.062 4.258 4.320 0.000 0.000 0.217 371 A C 2.437 179.997 177.584 -0.039 0.000 1.186 371 A CA 2.138 54.162 52.037 -0.021 0.000 0.624 371 A CB -1.546 17.449 19.000 -0.008 0.000 0.822 371 A HN 0.501 nan 8.150 nan 0.000 0.444 372 G N -0.340 108.431 108.800 -0.049 0.000 2.440 372 G HA2 -0.181 3.779 3.960 0.000 0.000 0.218 372 G HA3 -0.181 3.779 3.960 0.000 0.000 0.218 372 G C 1.493 176.351 174.900 -0.070 0.000 1.154 372 G CA 1.345 46.417 45.100 -0.048 0.000 0.767 372 G HN 0.596 nan 8.290 nan 0.000 0.552 373 L N 0.135 121.266 121.223 -0.153 0.000 2.179 373 L HA 0.243 4.583 4.340 0.000 0.000 0.208 373 L C 2.418 179.064 176.870 -0.373 0.000 1.096 373 L CA 1.648 56.313 54.840 -0.292 0.000 0.779 373 L CB -0.292 41.444 42.059 -0.539 0.000 0.922 373 L HN 0.296 nan 8.230 nan 0.000 0.443 374 E N -0.527 119.529 120.200 -0.241 0.000 2.208 374 E HA -0.071 4.279 4.350 0.000 0.000 0.193 374 E C 1.649 178.284 176.600 0.059 0.000 0.988 374 E CA 0.617 57.000 56.400 -0.029 0.000 0.828 374 E CB 0.061 29.808 29.700 0.078 0.000 0.763 374 E HN 0.441 nan 8.360 nan 0.000 0.478 375 R N 0.302 120.813 120.500 0.018 0.000 2.334 375 R HA 0.074 4.414 4.340 0.000 0.000 0.220 375 R C 2.008 178.334 176.300 0.044 0.000 0.917 375 R CA 0.458 56.582 56.100 0.039 0.000 1.073 375 R CB 0.314 30.630 30.300 0.027 0.000 1.056 375 R HN 0.097 nan 8.270 nan 0.000 0.506 376 S N -0.678 115.048 115.700 0.045 0.000 2.406 376 S HA 0.013 4.483 4.470 0.000 0.000 0.228 376 S C 1.609 176.271 174.600 0.105 0.000 1.020 376 S CA 0.977 59.229 58.200 0.086 0.000 0.965 376 S CB 0.238 63.527 63.200 0.148 0.000 0.798 376 S HN 0.437 nan 8.310 nan 0.000 0.488 377 G N 0.679 109.537 108.800 0.096 0.000 2.201 377 G HA2 0.015 3.975 3.960 0.000 0.000 0.212 377 G HA3 0.015 3.975 3.960 0.000 0.000 0.212 377 G C 0.228 175.174 174.900 0.076 0.000 0.994 377 G CA -0.086 45.067 45.100 0.089 0.000 0.644 377 G HN 1.240 nan 8.290 nan 0.000 0.508 378 A N 1.024 123.871 122.820 0.044 0.000 2.462 378 A HA 0.620 4.940 4.320 0.000 0.000 0.243 378 A C 1.009 178.644 177.584 0.086 0.000 1.076 378 A CA 1.294 53.282 52.037 -0.082 0.000 0.773 378 A CB 0.087 18.761 19.000 -0.542 0.000 1.010 378 A HN 1.740 nan 8.150 nan 0.000 0.493 379 T N 0.531 115.067 114.554 -0.031 0.000 2.889 379 T HA 0.543 4.893 4.350 0.000 0.000 0.291 379 T C -0.023 174.476 174.700 -0.335 0.000 0.995 379 T CA -0.657 61.374 62.100 -0.114 0.000 1.092 379 T CB 0.892 69.703 68.868 -0.095 0.000 0.954 379 T HN 0.705 nan 8.240 nan 0.000 0.506 380 R N 1.803 121.965 120.500 -0.563 0.000 2.338 380 R HA 0.602 4.942 4.340 0.000 0.000 0.317 380 R C -1.617 174.371 176.300 -0.519 0.000 0.968 380 R CA -0.704 54.822 56.100 -0.956 0.000 0.849 380 R CB 1.233 30.752 30.300 -1.301 0.000 1.128 380 R HN 0.606 nan 8.270 nan 0.000 0.448 381 V N 5.157 124.803 119.914 -0.446 0.000 2.409 381 V HA 0.194 4.314 4.120 0.000 0.000 0.291 381 V C 0.027 175.971 176.094 -0.250 0.000 1.020 381 V CA -0.974 61.163 62.300 -0.272 0.000 0.848 381 V CB 1.502 33.218 31.823 -0.178 0.000 0.990 381 V HN 0.777 nan 8.190 nan 0.000 0.430 382 N N 3.506 122.089 118.700 -0.194 0.000 2.475 382 N HA 0.116 4.856 4.740 0.000 0.000 0.267 382 N C 0.679 176.130 175.510 -0.100 0.000 1.169 382 N CA -0.126 52.839 53.050 -0.142 0.000 0.947 382 N CB 1.892 40.314 38.487 -0.109 0.000 1.061 382 N HN 0.422 nan 8.380 nan 0.000 0.466 383 V N 4.104 123.968 119.914 -0.082 0.000 2.426 383 V HA -0.005 4.115 4.120 0.000 0.000 0.242 383 V C 0.618 176.686 176.094 -0.044 0.000 1.036 383 V CA 1.257 63.525 62.300 -0.053 0.000 1.044 383 V CB -0.462 31.339 31.823 -0.037 0.000 0.688 383 V HN 0.842 nan 8.190 nan 0.000 0.462 384 K N -1.493 118.877 120.400 -0.050 0.000 2.735 384 K HA 0.321 4.641 4.320 0.000 0.000 0.295 384 K C -3.326 173.234 176.600 -0.066 0.000 1.052 384 K CA -1.782 54.477 56.287 -0.046 0.000 0.853 384 K CB 0.673 33.155 32.500 -0.031 0.000 1.535 384 K HN -0.224 nan 8.250 nan 0.000 0.383 385 P HA -0.101 nan 4.420 nan 0.000 0.249 385 P C -0.891 176.316 177.300 -0.155 0.000 1.140 385 P CA 1.086 64.119 63.100 -0.112 0.000 0.803 385 P CB -0.026 31.630 31.700 -0.073 0.000 0.745 386 Q N -0.621 119.039 119.800 -0.233 0.000 2.416 386 Q HA -0.154 4.186 4.340 0.000 0.000 0.235 386 Q C -0.408 175.536 176.000 -0.093 0.000 0.773 386 Q CA 1.012 56.668 55.803 -0.245 0.000 1.286 386 Q CB -2.204 26.344 28.738 -0.316 0.000 1.556 386 Q HN 0.296 nan 8.270 nan 0.000 0.650 387 V N 1.195 121.070 119.914 -0.065 0.000 2.350 387 V HA 0.495 4.615 4.120 0.000 0.000 0.285 387 V C -0.121 175.952 176.094 -0.036 0.000 1.014 387 V CA -0.657 61.629 62.300 -0.025 0.000 0.831 387 V CB 1.837 33.650 31.823 -0.017 0.000 1.000 387 V HN 0.091 nan 8.190 nan 0.000 0.433 388 D N 3.624 124.019 120.400 -0.008 0.000 2.575 388 D HA 0.570 5.210 4.640 0.000 0.000 0.236 388 D C -1.104 175.166 176.300 -0.050 0.000 1.075 388 D CA -0.479 53.476 54.000 -0.075 0.000 0.860 388 D CB 3.320 44.078 40.800 -0.069 0.000 1.475 388 D HN 0.370 nan 8.370 nan 0.000 0.474 389 L N 1.947 123.056 121.223 -0.189 0.000 2.343 389 L HA 0.469 4.809 4.340 0.000 0.000 0.278 389 L C -1.814 174.907 176.870 -0.247 0.000 0.996 389 L CA -0.467 54.288 54.840 -0.141 0.000 0.831 389 L CB 1.069 43.039 42.059 -0.147 0.000 1.232 389 L HN 0.302 nan 8.230 nan 0.000 0.413 390 W N 3.705 124.919 121.300 -0.145 0.000 2.469 390 W HA 0.666 5.326 4.660 0.000 0.000 0.320 390 W C -0.145 176.212 176.519 -0.269 0.000 1.086 390 W CA -0.412 56.802 57.345 -0.219 0.000 1.211 390 W CB 2.146 31.451 29.460 -0.258 0.000 1.298 390 W HN 0.382 nan 8.180 nan 0.000 0.525 391 T N 4.189 118.685 114.554 -0.098 0.000 2.791 391 T HA 0.380 4.730 4.350 0.000 0.000 0.288 391 T C -0.913 173.656 174.700 -0.218 0.000 0.999 391 T CA -0.634 61.404 62.100 -0.103 0.000 0.952 391 T CB 0.128 68.977 68.868 -0.032 0.000 0.938 391 T HN -0.038 nan 8.240 nan 0.000 0.444 392 F N 2.135 122.149 119.950 0.106 0.000 2.444 392 F HA 0.384 4.911 4.527 0.000 0.000 0.360 392 F C 1.653 177.490 175.800 0.061 0.000 1.106 392 F CA -0.611 57.437 58.000 0.080 0.000 1.170 392 F CB 0.641 39.678 39.000 0.061 0.000 1.113 392 F HN 0.753 nan 8.300 nan 0.000 0.521 393 G N 2.263 111.179 108.800 0.192 0.000 2.418 393 G HA2 -0.315 3.645 3.960 0.000 0.000 0.217 393 G HA3 -0.315 3.645 3.960 0.000 0.000 0.217 393 G C 1.424 176.399 174.900 0.126 0.000 1.158 393 G CA 1.033 46.209 45.100 0.126 0.000 0.771 393 G HN 0.695 nan 8.290 nan 0.000 0.545 394 D N 0.803 121.289 120.400 0.144 0.000 2.144 394 D HA -0.144 4.496 4.640 0.000 0.000 0.199 394 D C 2.279 178.627 176.300 0.080 0.000 0.984 394 D CA 2.176 56.233 54.000 0.095 0.000 0.834 394 D CB -1.090 39.756 40.800 0.076 0.000 0.955 394 D HN 0.435 nan 8.370 nan 0.000 0.465 395 T N -5.042 109.576 114.554 0.106 0.000 3.015 395 T HA 0.387 4.737 4.350 0.000 0.000 0.250 395 T C 1.846 176.609 174.700 0.104 0.000 1.057 395 T CA 0.635 62.784 62.100 0.082 0.000 1.066 395 T CB -0.010 68.889 68.868 0.051 0.000 0.959 395 T HN 0.461 nan 8.240 nan 0.000 0.488 396 G N 1.886 110.769 108.800 0.138 0.000 2.162 396 G HA2 -0.269 3.691 3.960 0.000 0.000 0.260 396 G HA3 -0.269 3.691 3.960 0.000 0.000 0.260 396 G C 0.120 175.111 174.900 0.152 0.000 0.976 396 G CA 0.038 45.213 45.100 0.125 0.000 0.655 396 G HN 0.695 nan 8.290 nan 0.000 0.533 397 R N 0.526 121.145 120.500 0.198 0.000 2.357 397 R HA 0.561 4.901 4.340 0.000 0.000 0.296 397 R C -0.169 176.281 176.300 0.251 0.000 1.052 397 R CA -0.003 56.227 56.100 0.217 0.000 0.988 397 R CB 1.087 31.505 30.300 0.196 0.000 1.025 397 R HN 0.209 nan 8.270 nan 0.000 0.469 398 S N 3.126 118.924 115.700 0.162 0.000 2.501 398 S HA 0.520 4.990 4.470 0.000 0.000 0.301 398 S C -0.394 174.201 174.600 -0.008 0.000 1.096 398 S CA -0.772 57.443 58.200 0.025 0.000 1.063 398 S CB 1.306 64.397 63.200 -0.181 0.000 1.042 398 S HN 0.304 nan 8.310 nan 0.000 0.494 399 I N 2.449 123.063 120.570 0.073 0.000 2.509 399 I HA 0.436 4.606 4.170 0.000 0.000 0.293 399 I C -0.321 175.847 176.117 0.085 0.000 1.020 399 I CA -1.075 60.285 61.300 0.099 0.000 1.088 399 I CB 1.532 39.653 38.000 0.201 0.000 1.267 399 I HN 0.610 nan 8.210 nan 0.000 0.430 400 I N 5.737 126.340 120.570 0.054 0.000 2.301 400 I HA 0.270 4.440 4.170 0.000 0.000 0.292 400 I C -0.211 175.974 176.117 0.114 0.000 1.046 400 I CA -0.567 60.774 61.300 0.067 0.000 1.282 400 I CB 1.095 39.118 38.000 0.038 0.000 1.409 400 I HN 0.114 nan 8.210 nan 0.000 0.484 401 V N 7.790 127.811 119.914 0.178 0.000 2.398 401 V HA 0.387 4.507 4.120 0.000 0.000 0.286 401 V C 0.189 176.365 176.094 0.136 0.000 1.026 401 V CA -0.573 61.833 62.300 0.176 0.000 0.868 401 V CB 1.859 33.845 31.823 0.271 0.000 0.982 401 V HN 0.491 nan 8.190 nan 0.000 0.443 402 L N 3.705 124.988 121.223 0.099 0.000 2.289 402 L HA 0.403 4.744 4.340 0.000 0.000 0.285 402 L C 0.960 177.890 176.870 0.100 0.000 1.049 402 L CA -0.346 54.539 54.840 0.076 0.000 0.804 402 L CB 1.567 43.659 42.059 0.056 0.000 1.195 402 L HN 0.839 nan 8.230 nan 0.000 0.428 403 S N 1.620 117.366 115.700 0.077 0.000 3.581 403 S HA -0.200 4.270 4.470 0.000 0.000 0.354 403 S C 0.630 175.424 174.600 0.322 0.000 1.059 403 S CA 1.118 59.403 58.200 0.141 0.000 1.060 403 S CB -1.307 62.021 63.200 0.213 0.000 0.908 403 S HN 0.918 nan 8.310 nan 0.000 0.475 404 E N -1.272 119.078 120.200 0.249 0.000 2.294 404 E HA -0.267 4.083 4.350 0.000 0.000 0.228 404 E C 1.068 177.792 176.600 0.207 0.000 1.253 404 E CA 0.758 57.326 56.400 0.280 0.000 0.716 404 E CB -1.913 28.009 29.700 0.371 0.000 1.184 404 E HN 1.386 nan 8.360 nan 0.000 0.374 405 G N -0.468 108.426 108.800 0.156 0.000 2.179 405 G HA2 -0.368 3.592 3.960 0.000 0.000 0.260 405 G HA3 -0.368 3.592 3.960 0.000 0.000 0.260 405 G C 0.313 175.266 174.900 0.088 0.000 0.977 405 G CA 0.434 45.592 45.100 0.097 0.000 0.641 405 G HN 0.237 nan 8.290 nan 0.000 0.533 406 R N 0.842 121.415 120.500 0.122 0.000 2.560 406 R HA 0.506 4.846 4.340 0.000 0.000 0.270 406 R C 1.482 177.824 176.300 0.069 0.000 1.074 406 R CA -0.492 55.648 56.100 0.068 0.000 1.140 406 R CB 0.401 30.720 30.300 0.031 0.000 1.073 406 R HN 0.789 nan 8.270 nan 0.000 0.527 407 L N 1.270 122.495 121.223 0.004 0.000 2.706 407 L HA -0.072 4.268 4.340 0.000 0.000 0.282 407 L C 0.957 177.842 176.870 0.025 0.000 1.219 407 L CA -0.006 54.830 54.840 -0.007 0.000 0.935 407 L CB -0.063 41.959 42.059 -0.062 0.000 1.204 407 L HN 0.696 nan 8.230 nan 0.000 0.491 408 L N 2.215 123.456 121.223 0.031 0.000 2.341 408 L HA 0.031 4.371 4.340 0.000 0.000 0.214 408 L C 2.215 179.104 176.870 0.032 0.000 1.115 408 L CA 1.179 56.046 54.840 0.045 0.000 0.820 408 L CB -0.958 41.127 42.059 0.043 0.000 0.944 408 L HN 0.808 nan 8.230 nan 0.000 0.452 409 N N 0.975 119.684 118.700 0.015 0.000 2.270 409 N HA -0.161 4.579 4.740 0.000 0.000 0.181 409 N C 1.645 177.152 175.510 -0.005 0.000 1.016 409 N CA 1.850 54.912 53.050 0.020 0.000 0.870 409 N CB -0.661 37.850 38.487 0.039 0.000 0.979 409 N HN 0.517 nan 8.380 nan 0.000 0.431 410 L N -0.401 120.788 121.223 -0.057 0.000 2.354 410 L HA 0.279 4.620 4.340 0.000 0.000 0.212 410 L C 2.475 179.361 176.870 0.027 0.000 1.091 410 L CA 0.630 55.425 54.840 -0.075 0.000 0.828 410 L CB -0.235 41.663 42.059 -0.268 0.000 0.973 410 L HN 0.279 nan 8.230 nan 0.000 0.461 411 G N -0.430 108.413 108.800 0.073 0.000 2.395 411 G HA2 -0.178 3.782 3.960 0.000 0.000 0.214 411 G HA3 -0.178 3.782 3.960 0.000 0.000 0.214 411 G C 1.330 176.263 174.900 0.055 0.000 1.177 411 G CA 0.345 45.532 45.100 0.144 0.000 0.794 411 G HN 0.261 nan 8.290 nan 0.000 0.532 412 N N 0.301 119.024 118.700 0.038 0.000 2.356 412 N HA 0.288 5.028 4.740 0.000 0.000 0.178 412 N C 0.947 176.476 175.510 0.031 0.000 1.075 412 N CA 0.653 53.714 53.050 0.018 0.000 0.889 412 N CB 0.952 39.450 38.487 0.018 0.000 0.999 412 N HN 0.392 nan 8.380 nan 0.000 0.464 413 A N 0.235 123.081 122.820 0.042 0.000 3.988 413 A HA 0.436 4.757 4.320 0.000 0.000 0.178 413 A C 0.842 178.464 177.584 0.063 0.000 0.740 413 A CA 0.118 52.188 52.037 0.056 0.000 0.806 413 A CB -0.137 18.900 19.000 0.062 0.000 1.517 413 A HN 0.111 nan 8.150 nan 0.000 0.811 414 T N -2.660 111.938 114.554 0.075 0.000 3.044 414 T HA 0.511 4.861 4.350 0.000 0.000 0.260 414 T C 1.124 175.847 174.700 0.038 0.000 1.019 414 T CA 1.254 63.398 62.100 0.074 0.000 0.921 414 T CB -0.255 68.674 68.868 0.101 0.000 1.053 414 T HN 2.548 nan 8.240 nan 0.000 0.533 415 G N 1.558 110.369 108.800 0.017 0.000 2.584 415 G HA2 -0.171 3.789 3.960 0.000 0.000 0.229 415 G HA3 -0.171 3.789 3.960 0.000 0.000 0.229 415 G C -0.609 174.349 174.900 0.098 0.000 1.320 415 G CA -0.568 44.504 45.100 -0.048 0.000 0.891 415 G HN 0.781 nan 8.290 nan 0.000 0.573 416 H N 1.958 121.036 119.070 0.013 0.000 2.690 416 H HA 0.373 4.929 4.556 0.000 0.000 0.365 416 H C -1.645 173.658 175.328 -0.042 0.000 1.142 416 H CA -0.719 55.331 56.048 0.004 0.000 1.417 416 H CB 0.648 30.389 29.762 -0.036 0.000 1.446 416 H HN 0.453 nan 8.280 nan 0.000 0.599 417 P HA -0.023 nan 4.420 nan 0.000 0.270 417 P C 0.326 177.620 177.300 -0.011 0.000 1.223 417 P CA -0.113 62.924 63.100 -0.106 0.000 0.785 417 P CB 0.876 32.342 31.700 -0.391 0.000 0.923 418 S N 0.289 116.006 115.700 0.028 0.000 2.365 418 S HA -0.188 4.282 4.470 0.000 0.000 0.225 418 S C 1.568 176.214 174.600 0.075 0.000 1.039 418 S CA 1.250 59.486 58.200 0.061 0.000 1.033 418 S CB -1.059 62.201 63.200 0.099 0.000 0.887 418 S HN 0.458 nan 8.310 nan 0.000 0.447 419 F N 1.915 121.852 119.950 -0.023 0.000 2.091 419 F HA -0.176 4.351 4.527 0.000 0.000 0.299 419 F C 2.275 178.045 175.800 -0.051 0.000 1.103 419 F CA 1.089 59.089 58.000 -0.000 0.000 1.228 419 F CB -0.601 38.397 39.000 -0.003 0.000 0.984 419 F HN -0.029 nan 8.300 nan 0.000 0.477 420 V N -0.144 119.776 119.914 0.010 0.000 2.261 420 V HA -0.348 3.772 4.120 0.000 0.000 0.246 420 V C 2.407 178.384 176.094 -0.195 0.000 1.047 420 V CA 1.839 64.089 62.300 -0.083 0.000 1.015 420 V CB -0.563 31.243 31.823 -0.027 0.000 0.642 420 V HN 0.248 nan 8.190 nan 0.000 0.446 421 M N -0.224 119.253 119.600 -0.206 0.000 2.267 421 M HA -0.128 4.352 4.480 0.000 0.000 0.263 421 M C 2.434 178.508 176.300 -0.376 0.000 1.063 421 M CA 1.597 56.623 55.300 -0.457 0.000 1.090 421 M CB -1.889 30.397 32.600 -0.524 0.000 1.392 421 M HN 0.444 nan 8.290 nan 0.000 0.422 422 S N 0.799 116.373 115.700 -0.211 0.000 2.387 422 S HA -0.171 4.299 4.470 0.000 0.000 0.230 422 S C 1.849 176.377 174.600 -0.121 0.000 1.035 422 S CA 1.466 59.615 58.200 -0.085 0.000 1.014 422 S CB -0.115 63.056 63.200 -0.049 0.000 0.836 422 S HN 0.513 nan 8.310 nan 0.000 0.466 423 N N 0.499 118.968 118.700 -0.385 0.000 2.109 423 N HA 0.010 4.750 4.740 0.000 0.000 0.188 423 N C 2.007 177.417 175.510 -0.166 0.000 1.034 423 N CA 1.493 54.294 53.050 -0.415 0.000 0.846 423 N CB -0.567 37.591 38.487 -0.549 0.000 1.010 423 N HN 0.397 nan 8.380 nan 0.000 0.425 424 S N 1.217 116.818 115.700 -0.166 0.000 2.348 424 S HA -0.061 4.409 4.470 0.000 0.000 0.221 424 S C 1.845 176.532 174.600 0.146 0.000 1.033 424 S CA 0.943 59.106 58.200 -0.062 0.000 1.010 424 S CB -0.455 62.635 63.200 -0.184 0.000 0.891 424 S HN 0.208 nan 8.310 nan 0.000 0.442 425 F N 2.173 122.126 119.950 0.005 0.000 2.134 425 F HA 0.025 4.552 4.527 0.000 0.000 0.299 425 F C 2.735 178.540 175.800 0.007 0.000 1.097 425 F CA -0.044 57.964 58.000 0.013 0.000 1.264 425 F CB -1.646 37.361 39.000 0.011 0.000 1.001 425 F HN 0.189 nan 8.300 nan 0.000 0.479 426 A N 0.384 123.315 122.820 0.184 0.000 1.927 426 A HA -0.303 4.017 4.320 0.000 0.000 0.220 426 A C 2.111 179.750 177.584 0.091 0.000 1.185 426 A CA 2.433 54.539 52.037 0.115 0.000 0.639 426 A CB -1.293 17.770 19.000 0.105 0.000 0.820 426 A HN 0.479 nan 8.150 nan 0.000 0.451 427 N N -1.404 117.347 118.700 0.085 0.000 2.135 427 N HA -0.126 4.614 4.740 0.000 0.000 0.186 427 N C 2.019 177.573 175.510 0.073 0.000 1.027 427 N CA 1.259 54.346 53.050 0.063 0.000 0.849 427 N CB -0.185 38.332 38.487 0.049 0.000 1.002 427 N HN 0.644 nan 8.380 nan 0.000 0.425 428 Q N -0.128 119.740 119.800 0.114 0.000 2.135 428 Q HA -0.125 4.215 4.340 0.000 0.000 0.204 428 Q C 1.471 177.497 176.000 0.043 0.000 0.981 428 Q CA 1.495 57.353 55.803 0.092 0.000 0.856 428 Q CB 0.084 28.904 28.738 0.137 0.000 0.902 428 Q HN 0.330 nan 8.270 nan 0.000 0.425 429 T N 0.368 114.948 114.554 0.044 0.000 2.812 429 T HA -0.039 4.311 4.350 0.000 0.000 0.264 429 T C 1.680 176.367 174.700 -0.023 0.000 1.042 429 T CA 0.941 63.041 62.100 0.000 0.000 1.140 429 T CB -0.089 68.785 68.868 0.011 0.000 0.870 429 T HN 0.253 nan 8.240 nan 0.000 0.445 430 I N 1.357 121.932 120.570 0.008 0.000 2.208 430 I HA -0.223 3.947 4.170 0.000 0.000 0.245 430 I C 2.894 179.004 176.117 -0.011 0.000 1.097 430 I CA 1.196 62.496 61.300 0.001 0.000 1.363 430 I CB -0.513 37.506 38.000 0.032 0.000 1.051 430 I HN 0.210 nan 8.210 nan 0.000 0.413 431 A N 0.261 123.082 122.820 0.001 0.000 1.845 431 A HA -0.236 4.085 4.320 0.000 0.000 0.215 431 A C 2.246 179.804 177.584 -0.044 0.000 1.195 431 A CA 1.332 53.362 52.037 -0.011 0.000 0.616 431 A CB -0.684 18.321 19.000 0.009 0.000 0.832 431 A HN 0.382 nan 8.150 nan 0.000 0.443 432 Q N -0.218 119.560 119.800 -0.036 0.000 2.118 432 Q HA -0.246 4.094 4.340 0.000 0.000 0.211 432 Q C 2.170 178.161 176.000 -0.015 0.000 0.998 432 Q CA 2.025 57.804 55.803 -0.040 0.000 0.872 432 Q CB -0.654 28.052 28.738 -0.053 0.000 0.925 432 Q HN 0.785 nan 8.270 nan 0.000 0.414 433 I N 0.842 121.380 120.570 -0.054 0.000 2.163 433 I HA -0.273 3.897 4.170 0.000 0.000 0.243 433 I C 2.374 178.484 176.117 -0.011 0.000 1.085 433 I CA 1.144 62.404 61.300 -0.066 0.000 1.347 433 I CB -0.283 37.570 38.000 -0.246 0.000 1.044 433 I HN 0.146 nan 8.210 nan 0.000 0.408 434 E N 0.430 120.615 120.200 -0.024 0.000 2.031 434 E HA -0.213 4.137 4.350 0.000 0.000 0.193 434 E C 2.138 178.687 176.600 -0.085 0.000 0.994 434 E CA 1.235 57.641 56.400 0.010 0.000 0.800 434 E CB -0.512 29.222 29.700 0.057 0.000 0.752 434 E HN 0.264 nan 8.360 nan 0.000 0.447 435 L N 0.444 121.527 121.223 -0.232 0.000 2.201 435 L HA -0.097 4.243 4.340 0.000 0.000 0.212 435 L C 2.014 178.807 176.870 -0.128 0.000 1.105 435 L CA 1.368 55.963 54.840 -0.408 0.000 0.775 435 L CB -0.496 41.354 42.059 -0.348 0.000 0.913 435 L HN 0.300 nan 8.230 nan 0.000 0.440 436 W N -0.205 120.986 121.300 -0.182 0.000 2.444 436 W HA -0.181 4.479 4.660 0.000 0.000 0.308 436 W C 2.147 178.613 176.519 -0.088 0.000 1.183 436 W CA 1.877 59.143 57.345 -0.133 0.000 1.340 436 W CB -0.226 29.159 29.460 -0.125 0.000 1.138 436 W HN 0.350 nan 8.180 nan 0.000 0.510 437 T N -1.296 113.203 114.554 -0.091 0.000 3.043 437 T HA 0.027 4.377 4.350 0.000 0.000 0.263 437 T C 1.104 175.740 174.700 -0.107 0.000 1.094 437 T CA 0.729 62.746 62.100 -0.138 0.000 1.127 437 T CB -0.165 68.701 68.868 -0.003 0.000 0.905 437 T HN 0.015 nan 8.240 nan 0.000 0.490 438 K N 0.909 121.289 120.400 -0.034 0.000 2.646 438 K HA 0.328 4.648 4.320 0.000 0.000 0.206 438 K C 1.418 178.085 176.600 0.112 0.000 1.069 438 K CA -0.268 56.049 56.287 0.050 0.000 1.067 438 K CB 0.103 32.690 32.500 0.145 0.000 0.807 438 K HN 0.232 nan 8.250 nan 0.000 0.482 439 N N 1.905 120.581 118.700 -0.040 0.000 2.133 439 N HA -0.263 4.477 4.740 0.000 0.000 0.193 439 N C 0.842 176.390 175.510 0.064 0.000 1.012 439 N CA 1.672 54.698 53.050 -0.040 0.000 0.871 439 N CB 0.185 38.551 38.487 -0.201 0.000 1.011 439 N HN 0.225 nan 8.380 nan 0.000 0.435 440 D N 0.644 121.048 120.400 0.007 0.000 2.133 440 D HA -0.184 4.456 4.640 0.000 0.000 0.192 440 D C 1.463 177.774 176.300 0.019 0.000 1.001 440 D CA 1.379 55.380 54.000 0.001 0.000 0.844 440 D CB -0.213 40.570 40.800 -0.027 0.000 0.944 440 D HN 0.588 nan 8.370 nan 0.000 0.447 441 E N -1.305 118.895 120.200 0.000 0.000 2.371 441 E HA -0.052 4.298 4.350 0.000 0.000 0.194 441 E C 0.109 176.579 176.600 -0.218 0.000 1.012 441 E CA 0.030 56.355 56.400 -0.125 0.000 0.860 441 E CB -0.059 29.503 29.700 -0.230 0.000 0.811 441 E HN 0.385 nan 8.360 nan 0.000 0.502 442 Y N 1.771 121.980 120.300 -0.152 0.000 2.359 442 Y HA 0.124 4.674 4.550 0.000 0.000 0.330 442 Y C 0.655 176.559 175.900 0.006 0.000 1.143 442 Y CA -0.653 57.303 58.100 -0.240 0.000 1.318 442 Y CB 0.556 38.778 38.460 -0.397 0.000 1.234 442 Y HN -0.139 nan 8.280 nan 0.000 0.522 443 D N 0.642 121.239 120.400 0.328 0.000 2.437 443 D HA 0.142 4.782 4.640 0.000 0.000 0.259 443 D C -0.109 176.389 176.300 0.330 0.000 1.118 443 D CA -0.565 53.605 54.000 0.285 0.000 1.017 443 D CB 0.586 41.537 40.800 0.252 0.000 1.120 443 D HN 0.421 nan 8.370 nan 0.000 0.541 444 N N 0.999 119.818 118.700 0.198 0.000 2.926 444 N HA 0.033 4.773 4.740 0.000 0.000 0.284 444 N C -0.431 175.160 175.510 0.136 0.000 1.303 444 N CA 0.225 53.365 53.050 0.149 0.000 1.062 444 N CB -0.106 38.418 38.487 0.062 0.000 1.389 444 N HN 0.334 nan 8.380 nan 0.000 0.538 445 E N -1.206 119.131 120.200 0.229 0.000 2.405 445 E HA 0.468 4.819 4.350 0.000 0.000 0.249 445 E C -0.408 176.265 176.600 0.121 0.000 1.028 445 E CA -1.031 55.415 56.400 0.076 0.000 0.897 445 E CB 1.408 31.014 29.700 -0.157 0.000 1.262 445 E HN -0.179 nan 8.360 nan 0.000 0.442 446 V N 1.721 121.640 119.914 0.008 0.000 2.383 446 V HA 0.244 4.364 4.120 0.000 0.000 0.275 446 V C -1.051 175.043 176.094 -0.000 0.000 1.036 446 V CA -0.361 61.987 62.300 0.081 0.000 0.889 446 V CB -0.294 31.566 31.823 0.061 0.000 0.985 446 V HN 0.481 nan 8.190 nan 0.000 0.459 447 Y N 3.703 124.094 120.300 0.152 0.000 2.487 447 Y HA 0.689 5.239 4.550 0.000 0.000 0.337 447 Y C 0.565 176.554 175.900 0.149 0.000 1.076 447 Y CA -0.912 57.294 58.100 0.177 0.000 1.115 447 Y CB 1.825 40.445 38.460 0.267 0.000 1.235 447 Y HN 0.450 nan 8.280 nan 0.000 0.468 448 R N 1.230 121.911 120.500 0.302 0.000 2.787 448 R HA 0.542 4.883 4.340 0.000 0.000 0.271 448 R C -1.039 175.388 176.300 0.212 0.000 0.993 448 R CA -1.049 55.181 56.100 0.216 0.000 0.993 448 R CB 1.498 31.900 30.300 0.169 0.000 1.155 448 R HN 0.564 nan 8.270 nan 0.000 0.486 449 L N 2.695 124.007 121.223 0.149 0.000 2.482 449 L HA 0.174 4.514 4.340 0.000 0.000 0.273 449 L C -1.808 175.114 176.870 0.087 0.000 1.228 449 L CA -1.375 53.529 54.840 0.106 0.000 0.827 449 L CB 0.146 42.238 42.059 0.054 0.000 1.099 449 L HN 0.355 nan 8.230 nan 0.000 0.494 450 P HA 0.172 nan 4.420 nan 0.000 0.284 450 P C -0.077 177.225 177.300 0.004 0.000 1.258 450 P CA -0.774 62.363 63.100 0.062 0.000 0.824 450 P CB 1.013 32.788 31.700 0.125 0.000 1.038 451 K N 1.407 121.859 120.400 0.086 0.000 2.077 451 K HA -0.278 4.042 4.320 0.000 0.000 0.213 451 K C 1.986 178.620 176.600 0.056 0.000 1.051 451 K CA 1.910 58.253 56.287 0.094 0.000 0.929 451 K CB -0.441 32.140 32.500 0.134 0.000 0.715 451 K HN 0.669 nan 8.250 nan 0.000 0.451 452 H N 0.306 119.396 119.070 0.034 0.000 2.422 452 H HA -0.141 4.415 4.556 0.000 0.000 0.298 452 H C 1.964 177.317 175.328 0.042 0.000 1.098 452 H CA 1.505 57.563 56.048 0.015 0.000 1.315 452 H CB -0.473 29.284 29.762 -0.008 0.000 1.382 452 H HN 0.268 nan 8.280 nan 0.000 0.523 453 L N 0.637 121.540 121.223 -0.535 0.000 2.072 453 L HA -0.132 4.208 4.340 0.000 0.000 0.205 453 L C 2.360 179.175 176.870 -0.091 0.000 1.079 453 L CA 1.272 55.935 54.840 -0.294 0.000 0.752 453 L CB -0.363 41.515 42.059 -0.302 0.000 0.906 453 L HN 0.160 nan 8.230 nan 0.000 0.436 454 D N 0.284 120.649 120.400 -0.059 0.000 2.104 454 D HA -0.190 4.450 4.640 0.000 0.000 0.194 454 D C 2.093 178.390 176.300 -0.005 0.000 0.994 454 D CA 1.182 55.167 54.000 -0.024 0.000 0.830 454 D CB -0.088 40.704 40.800 -0.014 0.000 0.959 454 D HN 0.344 nan 8.370 nan 0.000 0.452 455 E N 0.621 120.846 120.200 0.040 0.000 2.058 455 E HA -0.203 4.147 4.350 0.000 0.000 0.194 455 E C 2.021 178.670 176.600 0.082 0.000 0.997 455 E CA 0.860 57.318 56.400 0.097 0.000 0.801 455 E CB -0.001 29.795 29.700 0.160 0.000 0.746 455 E HN 0.189 nan 8.360 nan 0.000 0.450 456 K N 0.879 121.317 120.400 0.064 0.000 2.020 456 K HA -0.207 4.113 4.320 0.000 0.000 0.212 456 K C 2.132 178.761 176.600 0.048 0.000 1.050 456 K CA 1.669 57.993 56.287 0.062 0.000 0.929 456 K CB -0.169 32.364 32.500 0.056 0.000 0.714 456 K HN -0.002 nan 8.250 nan 0.000 0.443 457 V N 1.305 121.238 119.914 0.033 0.000 2.255 457 V HA -0.284 3.836 4.120 0.000 0.000 0.247 457 V C 2.521 178.666 176.094 0.086 0.000 1.051 457 V CA 2.096 64.427 62.300 0.051 0.000 1.018 457 V CB -0.894 30.930 31.823 0.002 0.000 0.641 457 V HN 0.530 nan 8.190 nan 0.000 0.445 458 A N -0.385 122.427 122.820 -0.014 0.000 1.940 458 A HA -0.288 4.032 4.320 0.000 0.000 0.219 458 A C 2.413 180.014 177.584 0.030 0.000 1.176 458 A CA 2.233 54.233 52.037 -0.062 0.000 0.631 458 A CB -0.590 18.363 19.000 -0.079 0.000 0.814 458 A HN 0.496 nan 8.150 nan 0.000 0.446 459 R N -0.468 120.065 120.500 0.054 0.000 2.066 459 R HA -0.062 4.279 4.340 0.000 0.000 0.232 459 R C 1.988 178.304 176.300 0.027 0.000 1.131 459 R CA 1.586 57.720 56.100 0.057 0.000 0.955 459 R CB -0.418 29.926 30.300 0.072 0.000 0.851 459 R HN 0.565 nan 8.270 nan 0.000 0.432 460 I N -0.196 120.368 120.570 -0.010 0.000 2.194 460 I HA -0.332 3.838 4.170 0.000 0.000 0.246 460 I C 1.923 177.926 176.117 -0.189 0.000 1.093 460 I CA 1.780 63.006 61.300 -0.123 0.000 1.355 460 I CB -0.343 37.527 38.000 -0.218 0.000 1.046 460 I HN 0.309 nan 8.210 nan 0.000 0.413 461 H N -0.659 118.373 119.070 -0.062 0.000 2.403 461 H HA -0.052 4.504 4.556 0.000 0.000 0.298 461 H C 2.258 177.635 175.328 0.082 0.000 1.059 461 H CA 1.222 57.250 56.048 -0.032 0.000 1.363 461 H CB -0.242 29.386 29.762 -0.223 0.000 1.410 461 H HN 0.047 nan 8.280 nan 0.000 0.528 462 V N 0.909 120.898 119.914 0.125 0.000 2.287 462 V HA -0.276 3.844 4.120 0.000 0.000 0.248 462 V C 2.438 178.572 176.094 0.068 0.000 1.053 462 V CA 2.177 64.532 62.300 0.090 0.000 1.027 462 V CB -0.397 31.465 31.823 0.065 0.000 0.646 462 V HN 0.387 nan 8.190 nan 0.000 0.447 463 E N 1.059 121.291 120.200 0.054 0.000 2.033 463 E HA -0.245 4.105 4.350 0.000 0.000 0.199 463 E C 2.157 178.784 176.600 0.044 0.000 1.011 463 E CA 2.109 58.535 56.400 0.044 0.000 0.815 463 E CB -0.770 28.945 29.700 0.026 0.000 0.755 463 E HN 0.466 nan 8.360 nan 0.000 0.451 464 A N 0.618 123.470 122.820 0.053 0.000 1.903 464 A HA -0.198 4.122 4.320 0.000 0.000 0.219 464 A C 2.438 180.074 177.584 0.086 0.000 1.191 464 A CA 1.871 53.965 52.037 0.095 0.000 0.638 464 A CB -0.945 18.165 19.000 0.183 0.000 0.823 464 A HN 0.395 nan 8.150 nan 0.000 0.451 465 L N -1.860 119.426 121.223 0.105 0.000 2.465 465 L HA 0.081 4.421 4.340 0.000 0.000 0.224 465 L C 1.760 178.599 176.870 -0.052 0.000 1.145 465 L CA 0.712 55.548 54.840 -0.006 0.000 0.834 465 L CB -0.249 41.816 42.059 0.010 0.000 0.944 465 L HN 0.696 nan 8.230 nan 0.000 0.451 466 G N -0.653 108.117 108.800 -0.049 0.000 2.168 466 G HA2 -0.180 3.780 3.960 0.000 0.000 0.197 466 G HA3 -0.180 3.780 3.960 0.000 0.000 0.197 466 G C 0.464 175.187 174.900 -0.295 0.000 0.997 466 G CA -0.312 44.716 45.100 -0.119 0.000 0.658 466 G HN 0.485 nan 8.290 nan 0.000 0.513 467 G N -0.574 108.111 108.800 -0.191 0.000 2.476 467 G HA2 0.559 4.519 3.960 0.000 0.000 0.269 467 G HA3 0.559 4.519 3.960 0.000 0.000 0.269 467 G C -0.595 174.211 174.900 -0.157 0.000 1.195 467 G CA -0.449 44.520 45.100 -0.218 0.000 0.843 467 G HN 0.519 nan 8.290 nan 0.000 0.545 468 H N 0.968 120.046 119.070 0.015 0.000 2.595 468 H HA 0.268 4.824 4.556 0.000 0.000 0.313 468 H C 0.033 175.364 175.328 0.005 0.000 1.023 468 H CA -0.822 55.232 56.048 0.010 0.000 1.218 468 H CB 1.574 31.340 29.762 0.006 0.000 1.403 468 H HN 0.146 nan 8.280 nan 0.000 0.477 469 L N 3.186 124.483 121.223 0.124 0.000 2.380 469 L HA 0.135 4.475 4.340 0.000 0.000 0.273 469 L C 0.482 177.371 176.870 0.032 0.000 1.138 469 L CA -0.103 54.767 54.840 0.051 0.000 0.832 469 L CB 0.918 42.995 42.059 0.031 0.000 1.124 469 L HN 0.665 nan 8.230 nan 0.000 0.454 470 T N 3.346 117.901 114.554 0.002 0.000 2.910 470 T HA 0.148 4.498 4.350 0.000 0.000 0.293 470 T C 0.077 174.761 174.700 -0.026 0.000 1.015 470 T CA -0.377 61.718 62.100 -0.009 0.000 1.094 470 T CB 1.177 70.037 68.868 -0.013 0.000 0.968 470 T HN 0.401 nan 8.240 nan 0.000 0.521 471 K N 3.008 123.402 120.400 -0.009 0.000 2.235 471 K HA 0.399 4.719 4.320 0.000 0.000 0.266 471 K C -0.453 176.153 176.600 0.010 0.000 0.980 471 K CA -0.646 55.645 56.287 0.005 0.000 0.849 471 K CB 0.646 33.157 32.500 0.019 0.000 1.098 471 K HN 0.509 nan 8.250 nan 0.000 0.445 472 L N 3.533 124.772 121.223 0.026 0.000 2.485 472 L HA 0.036 4.376 4.340 0.000 0.000 0.275 472 L C 1.179 178.072 176.870 0.039 0.000 1.207 472 L CA -0.035 54.827 54.840 0.038 0.000 0.855 472 L CB 0.551 42.656 42.059 0.076 0.000 1.114 472 L HN 0.818 nan 8.230 nan 0.000 0.485 473 T N -0.885 113.686 114.554 0.027 0.000 2.726 473 T HA 0.057 4.407 4.350 0.000 0.000 0.294 473 T C 1.035 175.757 174.700 0.036 0.000 1.013 473 T CA -0.502 61.612 62.100 0.023 0.000 0.996 473 T CB 0.817 69.691 68.868 0.010 0.000 1.016 473 T HN 0.678 nan 8.240 nan 0.000 0.529 474 K N 0.060 120.478 120.400 0.031 0.000 2.152 474 K HA -0.150 4.170 4.320 0.000 0.000 0.206 474 K C 2.214 178.841 176.600 0.044 0.000 1.048 474 K CA 1.508 57.817 56.287 0.035 0.000 0.933 474 K CB -0.051 32.464 32.500 0.026 0.000 0.721 474 K HN 0.667 nan 8.250 nan 0.000 0.447 475 E N 0.222 120.444 120.200 0.036 0.000 2.076 475 E HA -0.166 4.184 4.350 0.000 0.000 0.190 475 E C 2.143 178.789 176.600 0.077 0.000 0.979 475 E CA 0.965 57.392 56.400 0.045 0.000 0.807 475 E CB 0.069 29.776 29.700 0.012 0.000 0.761 475 E HN 0.444 nan 8.360 nan 0.000 0.454 476 Q N 0.477 120.310 119.800 0.056 0.000 2.084 476 Q HA -0.130 4.210 4.340 0.000 0.000 0.202 476 Q C 2.198 178.288 176.000 0.151 0.000 0.978 476 Q CA 1.483 57.341 55.803 0.091 0.000 0.844 476 Q CB -0.182 28.584 28.738 0.047 0.000 0.898 476 Q HN 0.185 nan 8.270 nan 0.000 0.426 477 A N 1.226 124.114 122.820 0.112 0.000 1.902 477 A HA -0.265 4.056 4.320 0.000 0.000 0.217 477 A C 1.976 179.619 177.584 0.099 0.000 1.181 477 A CA 1.615 53.718 52.037 0.110 0.000 0.623 477 A CB -0.602 18.453 19.000 0.092 0.000 0.818 477 A HN 0.463 nan 8.150 nan 0.000 0.443 478 E N -1.298 118.960 120.200 0.097 0.000 2.023 478 E HA -0.286 4.064 4.350 0.000 0.000 0.196 478 E C 1.909 178.576 176.600 0.112 0.000 1.003 478 E CA 1.794 58.246 56.400 0.087 0.000 0.809 478 E CB -0.440 29.311 29.700 0.085 0.000 0.755 478 E HN 0.670 nan 8.360 nan 0.000 0.449 479 Y N 0.928 121.239 120.300 0.018 0.000 2.241 479 Y HA -0.172 4.378 4.550 0.000 0.000 0.286 479 Y C 1.942 177.853 175.900 0.019 0.000 1.166 479 Y CA 1.594 59.704 58.100 0.017 0.000 1.203 479 Y CB 0.016 38.486 38.460 0.016 0.000 0.977 479 Y HN 0.091 nan 8.280 nan 0.000 0.529 480 L N -1.001 120.275 121.223 0.088 0.000 2.529 480 L HA 0.189 4.529 4.340 0.000 0.000 0.223 480 L C 1.487 178.347 176.870 -0.016 0.000 1.113 480 L CA 0.649 55.496 54.840 0.010 0.000 0.861 480 L CB -0.575 41.542 42.059 0.096 0.000 1.012 480 L HN 0.429 nan 8.230 nan 0.000 0.461 481 G N 1.705 110.505 108.800 0.001 0.000 2.272 481 G HA2 -0.225 3.735 3.960 0.000 0.000 0.280 481 G HA3 -0.225 3.735 3.960 0.000 0.000 0.280 481 G C -0.004 174.899 174.900 0.005 0.000 1.067 481 G CA 0.434 45.532 45.100 -0.004 0.000 0.902 481 G HN 0.308 nan 8.290 nan 0.000 0.500 482 V N -3.593 116.339 119.914 0.029 0.000 2.914 482 V HA 0.816 4.936 4.120 0.000 0.000 0.314 482 V C -0.003 176.106 176.094 0.024 0.000 1.084 482 V CA -1.614 60.698 62.300 0.021 0.000 0.963 482 V CB 2.147 34.009 31.823 0.064 0.000 1.025 482 V HN 0.079 nan 8.190 nan 0.000 0.432 483 D N 1.664 122.052 120.400 -0.019 0.000 2.362 483 D HA 0.228 4.868 4.640 0.000 0.000 0.242 483 D C 1.344 177.670 176.300 0.043 0.000 1.132 483 D CA -0.046 53.949 54.000 -0.009 0.000 0.907 483 D CB 2.156 42.926 40.800 -0.050 0.000 1.195 483 D HN 0.431 nan 8.370 nan 0.000 0.429 484 V N 1.536 121.499 119.914 0.082 0.000 2.568 484 V HA -0.220 3.900 4.120 0.000 0.000 0.253 484 V C 1.879 178.112 176.094 0.232 0.000 1.072 484 V CA 1.710 64.103 62.300 0.156 0.000 1.084 484 V CB -0.317 31.564 31.823 0.096 0.000 0.676 484 V HN 0.480 nan 8.190 nan 0.000 0.469 485 E N -0.955 119.300 120.200 0.092 0.000 2.481 485 E HA 0.398 4.748 4.350 0.000 0.000 0.198 485 E C 0.712 177.248 176.600 -0.107 0.000 1.027 485 E CA 0.622 57.068 56.400 0.078 0.000 0.900 485 E CB 0.805 30.522 29.700 0.029 0.000 0.993 485 E HN 0.585 nan 8.360 nan 0.000 0.482 486 G N 1.023 109.562 108.800 -0.434 0.000 2.655 486 G HA2 -0.161 3.800 3.960 0.000 0.000 0.680 486 G HA3 -0.161 3.800 3.960 0.000 0.000 0.680 486 G C -2.518 172.115 174.900 -0.445 0.000 1.302 486 G CA -0.643 43.815 45.100 -1.071 0.000 0.872 486 G HN 0.037 nan 8.290 nan 0.000 0.540 487 P HA 0.325 nan 4.420 nan 0.000 0.271 487 P C -0.271 176.746 177.300 -0.471 0.000 1.218 487 P CA 0.119 62.984 63.100 -0.392 0.000 0.780 487 P CB 0.319 31.963 31.700 -0.094 0.000 0.901 488 Y N -0.184 120.129 120.300 0.022 0.000 2.478 488 Y HA 0.199 4.750 4.550 0.000 0.000 0.261 488 Y C 1.162 176.990 175.900 -0.120 0.000 1.127 488 Y CA 0.526 58.608 58.100 -0.030 0.000 1.288 488 Y CB 0.291 38.743 38.460 -0.014 0.000 1.084 488 Y HN 0.113 nan 8.280 nan 0.000 0.530 489 K N 0.364 120.736 120.400 -0.046 0.000 2.482 489 K HA 0.409 4.729 4.320 0.000 0.000 0.257 489 K C -2.913 173.597 176.600 -0.150 0.000 0.969 489 K CA -1.953 54.193 56.287 -0.235 0.000 0.842 489 K CB 1.651 33.826 32.500 -0.541 0.000 1.359 489 K HN -0.197 nan 8.250 nan 0.000 0.441 490 P HA 0.055 nan 4.420 nan 0.000 0.273 490 P C 0.244 177.442 177.300 -0.171 0.000 1.250 490 P CA -0.020 62.965 63.100 -0.192 0.000 0.793 490 P CB 0.588 32.095 31.700 -0.322 0.000 1.011 491 D N -0.427 119.928 120.400 -0.074 0.000 2.219 491 D HA -0.221 4.420 4.640 0.000 0.000 0.205 491 D C 1.441 177.791 176.300 0.084 0.000 0.970 491 D CA 1.320 55.347 54.000 0.045 0.000 0.851 491 D CB -0.419 40.433 40.800 0.086 0.000 0.943 491 D HN 0.607 nan 8.370 nan 0.000 0.488 492 H N -2.656 116.479 119.070 0.108 0.000 2.548 492 H HA 0.101 4.657 4.556 0.000 0.000 0.265 492 H C -0.012 175.370 175.328 0.091 0.000 0.969 492 H CA -0.367 55.733 56.048 0.085 0.000 1.155 492 H CB -1.148 28.644 29.762 0.050 0.000 1.394 492 H HN 0.170 nan 8.280 nan 0.000 0.570 493 Y N 2.457 122.580 120.300 -0.294 0.000 2.717 493 Y HA -0.020 4.530 4.550 0.000 0.000 0.330 493 Y C 1.042 176.871 175.900 -0.118 0.000 1.217 493 Y CA 0.187 58.119 58.100 -0.280 0.000 1.506 493 Y CB 0.549 38.718 38.460 -0.484 0.000 1.268 493 Y HN 0.167 nan 8.280 nan 0.000 0.561 494 R N 3.854 123.997 120.500 -0.595 0.000 2.365 494 R HA 0.081 4.421 4.340 0.000 0.000 0.223 494 R C -0.709 175.516 176.300 -0.124 0.000 0.899 494 R CA -0.123 55.843 56.100 -0.224 0.000 1.059 494 R CB 0.081 30.270 30.300 -0.185 0.000 1.086 494 R HN 0.832 nan 8.270 nan 0.000 0.522 495 Y N 0.000 119.992 120.300 -0.513 0.000 2.660 495 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 495 Y CA 0.000 58.047 58.100 -0.088 0.000 1.940 495 Y CB 0.000 38.546 38.460 0.143 0.000 1.050 495 Y HN 0.000 nan 8.280 nan 0.000 0.758