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 3gxi_1_C DATA FIRST_RESID 1 DATA SEQUENCE ARPcIPKSFG YSSVVcVcNA TYcDSFDPPT FPALGTFSRY ESTRSGRRME DATA SEQUENCE LSMGPIQANH TGTGLLLTLQ PEQKFQKVKG FGGAMTDAAA LNILALSPPA DATA SEQUENCE QNLLLKSYFS EEGIGYNIIR VPMASCDFSI RTYTYADTPD DFQLHNFSLP DATA SEQUENCE EEDTKLKIPL IHRALQLAQR PVSLLASPWT SPTWLKTNGA VNGKGSLKGQ DATA SEQUENCE PGDIYHQTWA RYFVKFLDAY AEHKLQFWAV TAENEPSAGL LSGYPFQCLG DATA SEQUENCE FTPEHQRDFI ARDLGPTLAN STHHNVRLLM LDDQRLLLPH WAKVVLTDPE DATA SEQUENCE AAKYVHGIAV HWYLDFLAPA KATLGETHRL FPNTMLFASE ACVGSKFWEQ DATA SEQUENCE SVRLGSWDRG MQYSHSIITN LLYHVVGWTD WNLALNPEGG PNWVRNFVDS DATA SEQUENCE PIIVDITKDT FYKQPMFYHL GHFSKFIPEG SQRVGLVASQ KNDLDAVALM DATA SEQUENCE HPDGSAVVVV LNRSSKDVPL TIKDPAVGFL ETISPGYSIH TYLWHRQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.548 177.584 -0.060 0.000 1.274 1 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 1 A CB 0.000 19.007 19.000 0.012 0.000 0.831 2 R N 2.352 122.778 120.500 -0.123 0.000 2.494 2 R HA 0.670 5.010 4.340 0.001 0.000 0.305 2 R C -2.688 173.574 176.300 -0.062 0.000 0.959 2 R CA -1.771 54.261 56.100 -0.112 0.000 0.864 2 R CB 2.366 32.451 30.300 -0.358 0.000 1.159 2 R HN 0.587 nan 8.270 nan 0.000 0.446 3 P HA 0.009 nan 4.420 nan 0.000 0.274 3 P C -0.080 177.283 177.300 0.105 0.000 1.246 3 P CA -0.560 62.567 63.100 0.045 0.000 0.795 3 P CB 0.730 32.459 31.700 0.047 0.000 1.006 4 c N 2.985 121.607 118.600 0.035 0.000 2.634 4 c HA 0.146 4.717 4.570 0.001 0.000 0.418 4 c C 0.584 174.698 174.090 0.041 0.000 1.373 4 c CA -0.430 55.922 56.329 0.039 0.000 1.756 4 c CB -1.976 40.508 42.510 -0.044 0.000 2.589 4 c HN 0.257 nan 8.230 nan 0.000 0.602 5 I N 9.527 130.124 120.570 0.045 0.000 2.291 5 I HA 0.309 4.479 4.170 0.001 0.000 0.290 5 I C -1.690 174.418 176.117 -0.015 0.000 1.050 5 I CA -2.363 58.907 61.300 -0.050 0.000 1.245 5 I CB 0.630 38.526 38.000 -0.172 0.000 1.405 5 I HN 0.572 nan 8.210 nan 0.000 0.478 6 P HA 0.372 nan 4.420 nan 0.000 0.281 6 P C -0.759 176.530 177.300 -0.017 0.000 1.249 6 P CA -0.672 62.426 63.100 -0.003 0.000 0.810 6 P CB 1.870 33.559 31.700 -0.018 0.000 1.008 7 K N 0.736 121.137 120.400 0.002 0.000 2.501 7 K HA 0.436 4.757 4.320 0.001 0.000 0.252 7 K C -1.002 175.549 176.600 -0.081 0.000 0.934 7 K CA -0.551 55.683 56.287 -0.088 0.000 0.797 7 K CB 1.880 34.319 32.500 -0.102 0.000 1.270 7 K HN 0.366 nan 8.250 nan 0.000 0.431 8 S N 2.621 118.209 115.700 -0.187 0.000 2.578 8 S HA 0.525 4.996 4.470 0.001 0.000 0.283 8 S C -0.509 173.880 174.600 -0.353 0.000 1.195 8 S CA -0.489 57.639 58.200 -0.119 0.000 1.050 8 S CB 0.327 63.468 63.200 -0.099 0.000 1.012 8 S HN 0.517 nan 8.310 nan 0.000 0.511 9 F N 2.085 122.012 119.950 -0.038 0.000 2.805 9 F HA 0.388 4.916 4.527 0.001 0.000 0.317 9 F C 1.513 177.200 175.800 -0.187 0.000 1.146 9 F CA 0.063 58.030 58.000 -0.056 0.000 1.265 9 F CB 0.685 39.699 39.000 0.022 0.000 0.992 9 F HN 0.887 nan 8.300 nan 0.000 0.511 10 G N -0.585 108.158 108.800 -0.095 0.000 2.141 10 G HA2 -0.317 3.644 3.960 0.001 0.000 0.242 10 G HA3 -0.317 3.644 3.960 0.001 0.000 0.242 10 G C -0.043 174.642 174.900 -0.357 0.000 0.982 10 G CA -0.176 44.774 45.100 -0.251 0.000 0.662 10 G HN 0.387 nan 8.290 nan 0.000 0.527 11 Y N 0.141 120.486 120.300 0.075 0.000 2.593 11 Y HA 0.485 5.036 4.550 0.001 0.000 0.330 11 Y C 2.115 178.046 175.900 0.052 0.000 1.223 11 Y CA -0.000 58.140 58.100 0.066 0.000 1.350 11 Y CB 0.849 39.357 38.460 0.080 0.000 1.499 11 Y HN 0.209 nan 8.280 nan 0.000 0.554 12 S N -1.299 114.543 115.700 0.237 0.000 2.447 12 S HA -0.009 4.461 4.470 0.001 0.000 0.233 12 S C 0.677 175.327 174.600 0.084 0.000 1.006 12 S CA 0.898 59.162 58.200 0.106 0.000 0.957 12 S CB -0.109 63.135 63.200 0.073 0.000 0.773 12 S HN 0.445 nan 8.310 nan 0.000 0.507 13 S N -0.509 115.294 115.700 0.172 0.000 2.851 13 S HA 0.704 5.175 4.470 0.001 0.000 0.313 13 S C -0.781 173.920 174.600 0.168 0.000 1.163 13 S CA -0.272 58.016 58.200 0.146 0.000 0.850 13 S CB 1.214 64.569 63.200 0.258 0.000 1.245 13 S HN 0.725 nan 8.310 nan 0.000 0.558 14 V N 0.885 120.889 119.914 0.149 0.000 2.834 14 V HA 0.924 5.045 4.120 0.001 0.000 0.313 14 V C 0.185 176.393 176.094 0.190 0.000 1.060 14 V CA -0.551 61.833 62.300 0.140 0.000 0.989 14 V CB 0.935 32.798 31.823 0.066 0.000 1.041 14 V HN 0.836 nan 8.190 nan 0.000 0.459 15 V N -0.405 119.626 119.914 0.194 0.000 3.109 15 V HA 0.683 4.803 4.120 0.001 0.000 0.317 15 V C 0.097 176.304 176.094 0.187 0.000 1.074 15 V CA -0.560 61.867 62.300 0.213 0.000 1.033 15 V CB 1.184 33.119 31.823 0.186 0.000 1.111 15 V HN 1.083 nan 8.190 nan 0.000 0.458 16 c N 1.934 120.660 118.600 0.211 0.000 2.303 16 c HA 0.698 5.268 4.570 0.001 0.000 0.326 16 c C 0.220 174.386 174.090 0.126 0.000 1.285 16 c CA -0.611 55.805 56.329 0.144 0.000 1.675 16 c CB 0.405 43.006 42.510 0.150 0.000 2.289 16 c HN 0.756 nan 8.230 nan 0.000 0.512 17 V N 2.948 122.921 119.914 0.098 0.000 2.432 17 V HA 0.408 4.529 4.120 0.001 0.000 0.275 17 V C 0.192 176.190 176.094 -0.160 0.000 1.043 17 V CA -0.101 62.230 62.300 0.051 0.000 0.925 17 V CB 0.662 32.549 31.823 0.106 0.000 0.985 17 V HN 1.077 nan 8.190 nan 0.000 0.466 18 c N 5.113 123.406 118.600 -0.510 0.000 2.779 18 c HA 0.856 5.427 4.570 0.001 0.000 0.314 18 c C 0.143 173.848 174.090 -0.642 0.000 1.231 18 c CA -0.680 55.236 56.329 -0.689 0.000 1.652 18 c CB 1.660 43.289 42.510 -1.468 0.000 2.198 18 c HN 1.088 nan 8.230 nan 0.000 0.483 19 N N 0.042 118.563 118.700 -0.299 0.000 3.522 19 N HA 0.479 5.220 4.740 0.001 0.000 0.328 19 N C 0.273 175.797 175.510 0.024 0.000 1.623 19 N CA -0.064 52.919 53.050 -0.112 0.000 0.812 19 N CB 0.122 38.564 38.487 -0.074 0.000 2.008 19 N HN 0.512 nan 8.380 nan 0.000 0.601 20 A N -1.042 121.803 122.820 0.043 0.000 2.019 20 A HA -0.002 4.318 4.320 0.001 0.000 0.219 20 A C 1.402 179.018 177.584 0.054 0.000 1.164 20 A CA 2.480 54.554 52.037 0.060 0.000 0.644 20 A CB -1.239 17.787 19.000 0.043 0.000 0.805 20 A HN 0.883 nan 8.150 nan 0.000 0.449 21 T N -6.174 108.414 114.554 0.056 0.000 3.040 21 T HA 0.389 4.740 4.350 0.001 0.000 0.266 21 T C -0.170 174.588 174.700 0.097 0.000 1.005 21 T CA -0.144 61.993 62.100 0.063 0.000 0.906 21 T CB -0.143 68.762 68.868 0.061 0.000 1.082 21 T HN 0.292 nan 8.240 nan 0.000 0.531 22 Y N 0.207 120.476 120.300 -0.051 0.000 2.441 22 Y HA 0.572 5.123 4.550 0.001 0.000 0.334 22 Y C -1.536 174.294 175.900 -0.117 0.000 1.061 22 Y CA -1.423 56.634 58.100 -0.072 0.000 1.032 22 Y CB 1.828 40.241 38.460 -0.079 0.000 1.266 22 Y HN 0.308 nan 8.280 nan 0.000 0.441 23 c N 6.597 124.892 118.600 -0.509 0.000 3.171 23 c HA 0.371 4.941 4.570 0.001 0.000 0.336 23 c C -1.360 172.462 174.090 -0.448 0.000 1.198 23 c CA -0.819 55.324 56.329 -0.310 0.000 1.319 23 c CB 0.798 43.222 42.510 -0.144 0.000 1.682 23 c HN 0.940 nan 8.230 nan 0.000 0.497 24 D N 2.952 123.219 120.400 -0.220 0.000 2.423 24 D HA 0.430 5.071 4.640 0.001 0.000 0.238 24 D C -0.138 176.011 176.300 -0.251 0.000 1.142 24 D CA 0.430 54.312 54.000 -0.197 0.000 0.884 24 D CB 1.139 41.903 40.800 -0.060 0.000 1.199 24 D HN 0.923 nan 8.370 nan 0.000 0.438 25 S N -0.405 115.100 115.700 -0.325 0.000 2.611 25 S HA 0.625 5.095 4.470 0.001 0.000 0.268 25 S C -1.283 173.083 174.600 -0.390 0.000 1.156 25 S CA -1.085 56.925 58.200 -0.317 0.000 0.817 25 S CB 0.688 63.802 63.200 -0.144 0.000 1.122 25 S HN 0.380 nan 8.310 nan 0.000 0.466 26 F N 0.969 120.938 119.950 0.031 0.000 2.523 26 F HA 0.535 5.063 4.527 0.001 0.000 0.329 26 F C 0.700 176.515 175.800 0.025 0.000 1.061 26 F CA -0.738 57.292 58.000 0.049 0.000 0.967 26 F CB 0.941 39.973 39.000 0.053 0.000 1.218 26 F HN 0.519 nan 8.300 nan 0.000 0.480 27 D N 1.608 122.154 120.400 0.243 0.000 2.368 27 D HA 0.162 4.802 4.640 0.001 0.000 0.240 27 D C -2.258 174.109 176.300 0.111 0.000 1.169 27 D CA -0.947 53.129 54.000 0.126 0.000 0.906 27 D CB 0.380 41.228 40.800 0.080 0.000 1.187 27 D HN 0.094 nan 8.370 nan 0.000 0.435 28 P HA 0.081 nan 4.420 nan 0.000 0.265 28 P C -2.430 174.875 177.300 0.008 0.000 1.187 28 P CA -0.570 62.556 63.100 0.044 0.000 0.766 28 P CB -0.209 31.512 31.700 0.036 0.000 0.820 29 P HA 0.168 nan 4.420 nan 0.000 0.271 29 P C -0.789 176.397 177.300 -0.190 0.000 1.220 29 P CA 0.425 63.463 63.100 -0.103 0.000 0.768 29 P CB 0.474 32.245 31.700 0.119 0.000 0.848 30 T N 3.341 117.585 114.554 -0.516 0.000 3.109 30 T HA 0.536 4.887 4.350 0.001 0.000 0.311 30 T C -1.036 173.316 174.700 -0.579 0.000 1.011 30 T CA -0.189 61.719 62.100 -0.319 0.000 1.026 30 T CB 0.272 69.054 68.868 -0.143 0.000 1.047 30 T HN 0.019 nan 8.240 nan 0.000 0.448 31 F N 3.732 123.736 119.950 0.089 0.000 2.532 31 F HA 0.626 5.154 4.527 0.001 0.000 0.321 31 F C -1.773 173.970 175.800 -0.096 0.000 1.089 31 F CA -2.081 55.934 58.000 0.024 0.000 0.926 31 F CB 1.245 40.298 39.000 0.089 0.000 1.168 31 F HN 0.311 nan 8.300 nan 0.000 0.459 32 P HA 0.392 nan 4.420 nan 0.000 0.276 32 P C -0.786 176.381 177.300 -0.222 0.000 1.261 32 P CA -0.489 62.556 63.100 -0.091 0.000 0.800 32 P CB 0.713 32.369 31.700 -0.075 0.000 1.066 33 A N 0.928 123.704 122.820 -0.073 0.000 2.547 33 A HA 0.069 4.390 4.320 0.001 0.000 0.233 33 A C 0.400 177.992 177.584 0.013 0.000 1.067 33 A CA -0.332 51.708 52.037 0.005 0.000 0.763 33 A CB -0.638 18.381 19.000 0.032 0.000 1.007 33 A HN 0.651 nan 8.150 nan 0.000 0.506 34 L N 1.703 122.997 121.223 0.118 0.000 2.678 34 L HA 0.296 4.637 4.340 0.001 0.000 0.285 34 L C 1.369 178.286 176.870 0.078 0.000 1.233 34 L CA 2.335 57.257 54.840 0.136 0.000 0.920 34 L CB -0.338 41.803 42.059 0.137 0.000 1.176 34 L HN 1.739 nan 8.230 nan 0.000 0.495 35 G N 1.985 110.828 108.800 0.073 0.000 2.195 35 G HA2 -0.223 3.738 3.960 0.001 0.000 0.224 35 G HA3 -0.223 3.738 3.960 0.001 0.000 0.224 35 G C 0.406 175.321 174.900 0.026 0.000 0.990 35 G CA 0.123 45.244 45.100 0.035 0.000 0.639 35 G HN 0.872 nan 8.290 nan 0.000 0.514 36 T N 1.072 115.643 114.554 0.028 0.000 2.885 36 T HA 0.679 5.030 4.350 0.001 0.000 0.285 36 T C -0.422 174.332 174.700 0.090 0.000 1.019 36 T CA 0.001 62.090 62.100 -0.019 0.000 1.010 36 T CB 1.715 70.532 68.868 -0.085 0.000 1.022 36 T HN 0.900 nan 8.240 nan 0.000 0.466 37 F N -0.388 119.579 119.950 0.028 0.000 2.575 37 F HA 0.894 5.422 4.527 0.001 0.000 0.330 37 F C -0.260 175.602 175.800 0.103 0.000 1.056 37 F CA -1.084 56.989 58.000 0.122 0.000 0.964 37 F CB 1.175 40.241 39.000 0.110 0.000 1.258 37 F HN 0.351 nan 8.300 nan 0.000 0.484 38 S N 1.455 117.385 115.700 0.382 0.000 2.501 38 S HA 0.591 5.062 4.470 0.001 0.000 0.301 38 S C -1.030 173.752 174.600 0.304 0.000 1.096 38 S CA -0.854 57.455 58.200 0.181 0.000 1.063 38 S CB 1.380 64.728 63.200 0.246 0.000 1.042 38 S HN 0.743 nan 8.310 nan 0.000 0.494 39 R N 2.442 122.950 120.500 0.013 0.000 2.502 39 R HA 0.350 4.691 4.340 0.001 0.000 0.300 39 R C -1.976 174.093 176.300 -0.386 0.000 0.984 39 R CA -0.410 55.573 56.100 -0.195 0.000 0.882 39 R CB 0.737 30.952 30.300 -0.142 0.000 1.180 39 R HN 0.637 nan 8.270 nan 0.000 0.444 40 Y N 1.963 122.083 120.300 -0.300 0.000 2.320 40 Y HA 0.288 4.839 4.550 0.001 0.000 0.334 40 Y C 0.227 176.099 175.900 -0.046 0.000 1.055 40 Y CA -0.330 57.672 58.100 -0.163 0.000 1.143 40 Y CB 1.601 39.933 38.460 -0.213 0.000 1.193 40 Y HN 0.528 nan 8.280 nan 0.000 0.477 41 E N 1.865 122.168 120.200 0.171 0.000 2.246 41 E HA 0.588 4.939 4.350 0.001 0.000 0.266 41 E C -1.510 175.305 176.600 0.359 0.000 0.880 41 E CA -0.562 55.966 56.400 0.213 0.000 0.762 41 E CB 1.145 30.823 29.700 -0.035 0.000 1.180 41 E HN 0.596 nan 8.360 nan 0.000 0.416 42 S N 2.231 118.201 115.700 0.449 0.000 2.503 42 S HA 0.604 5.075 4.470 0.001 0.000 0.301 42 S C -0.767 174.053 174.600 0.367 0.000 1.087 42 S CA -0.755 57.692 58.200 0.413 0.000 1.042 42 S CB 1.751 65.274 63.200 0.539 0.000 1.043 42 S HN 0.642 nan 8.310 nan 0.000 0.489 43 T N -0.932 113.702 114.554 0.133 0.000 2.906 43 T HA 0.487 4.838 4.350 0.001 0.000 0.295 43 T C 0.837 174.992 174.700 -0.907 0.000 1.061 43 T CA -0.989 60.965 62.100 -0.242 0.000 1.000 43 T CB 1.699 70.499 68.868 -0.113 0.000 1.103 43 T HN 0.448 nan 8.240 nan 0.000 0.486 44 R N 1.087 120.607 120.500 -1.634 0.000 2.103 44 R HA -0.149 4.192 4.340 0.001 0.000 0.242 44 R C 2.283 178.249 176.300 -0.557 0.000 1.142 44 R CA 2.315 57.530 56.100 -1.476 0.000 0.960 44 R CB -0.838 28.634 30.300 -1.379 0.000 0.858 44 R HN 0.864 nan 8.270 nan 0.000 0.439 45 S N -1.638 113.844 115.700 -0.363 0.000 2.493 45 S HA -0.024 4.447 4.470 0.001 0.000 0.243 45 S C 1.322 175.844 174.600 -0.131 0.000 0.991 45 S CA 1.166 59.256 58.200 -0.183 0.000 0.957 45 S CB 0.246 63.377 63.200 -0.116 0.000 0.756 45 S HN 0.614 nan 8.310 nan 0.000 0.521 46 G N 0.200 108.914 108.800 -0.142 0.000 2.370 46 G HA2 -0.103 3.858 3.960 0.001 0.000 0.174 46 G HA3 -0.103 3.858 3.960 0.001 0.000 0.174 46 G C 0.008 174.880 174.900 -0.046 0.000 1.002 46 G CA -0.657 44.400 45.100 -0.072 0.000 0.730 46 G HN 0.485 nan 8.290 nan 0.000 0.497 47 R N 0.714 121.194 120.500 -0.033 0.000 2.543 47 R HA 0.583 4.923 4.340 0.001 0.000 0.277 47 R C -0.129 176.190 176.300 0.032 0.000 1.074 47 R CA 0.041 56.146 56.100 0.008 0.000 1.076 47 R CB 0.431 30.755 30.300 0.041 0.000 0.993 47 R HN -0.009 nan 8.270 nan 0.000 0.459 48 R N 3.846 124.346 120.500 -0.001 0.000 2.467 48 R HA 0.171 4.511 4.340 0.001 0.000 0.299 48 R C -0.218 176.151 176.300 0.115 0.000 1.120 48 R CA -0.515 55.533 56.100 -0.087 0.000 0.940 48 R CB 1.233 31.247 30.300 -0.478 0.000 1.161 48 R HN 0.810 nan 8.270 nan 0.000 0.506 49 M N 0.840 120.626 119.600 0.311 0.000 2.206 49 M HA -0.251 4.229 4.480 0.001 0.000 0.197 49 M C -0.485 176.085 176.300 0.451 0.000 0.375 49 M CA 1.321 56.887 55.300 0.443 0.000 0.410 49 M CB -1.136 31.850 32.600 0.642 0.000 1.204 49 M HN 0.423 nan 8.290 nan 0.000 0.932 50 E N 0.866 121.211 120.200 0.241 0.000 2.338 50 E HA 0.377 4.728 4.350 0.001 0.000 0.272 50 E C -0.341 176.253 176.600 -0.010 0.000 1.029 50 E CA -0.552 55.918 56.400 0.117 0.000 0.872 50 E CB 1.193 30.923 29.700 0.050 0.000 1.015 50 E HN 0.276 nan 8.360 nan 0.000 0.417 51 L N 2.541 123.691 121.223 -0.121 0.000 2.309 51 L HA 0.350 4.691 4.340 0.001 0.000 0.282 51 L C -0.552 176.155 176.870 -0.272 0.000 1.036 51 L CA 0.097 54.691 54.840 -0.409 0.000 0.806 51 L CB 1.291 43.045 42.059 -0.509 0.000 1.220 51 L HN 0.585 nan 8.230 nan 0.000 0.429 52 S N 4.313 119.836 115.700 -0.294 0.000 2.651 52 S HA 0.845 5.316 4.470 0.001 0.000 0.279 52 S C -0.698 173.739 174.600 -0.271 0.000 1.148 52 S CA -1.029 57.041 58.200 -0.217 0.000 0.837 52 S CB 1.542 64.659 63.200 -0.138 0.000 1.138 52 S HN 0.632 nan 8.310 nan 0.000 0.478 53 M N 0.418 119.828 119.600 -0.318 0.000 2.572 53 M HA 0.761 5.242 4.480 0.001 0.000 0.299 53 M C 0.052 175.928 176.300 -0.706 0.000 1.205 53 M CA -0.423 54.565 55.300 -0.520 0.000 0.876 53 M CB 2.617 35.010 32.600 -0.345 0.000 1.728 53 M HN 1.116 nan 8.290 nan 0.000 0.458 54 G N 1.006 109.013 108.800 -1.322 0.000 2.682 54 G HA2 0.786 4.746 3.960 0.001 0.000 0.303 54 G HA3 0.786 4.746 3.960 0.001 0.000 0.303 54 G C -3.369 171.170 174.900 -0.601 0.000 1.341 54 G CA -0.824 43.765 45.100 -0.851 0.000 0.784 54 G HN 0.359 nan 8.290 nan 0.000 0.497 55 P HA 0.518 nan 4.420 nan 0.000 0.292 55 P C -0.683 176.752 177.300 0.226 0.000 1.283 55 P CA -0.454 62.682 63.100 0.061 0.000 0.835 55 P CB 1.790 33.515 31.700 0.041 0.000 1.017 56 I N 2.278 122.918 120.570 0.116 0.000 2.306 56 I HA 0.334 4.505 4.170 0.001 0.000 0.288 56 I C 0.616 176.737 176.117 0.007 0.000 1.036 56 I CA -0.329 60.969 61.300 -0.004 0.000 1.221 56 I CB 1.015 38.914 38.000 -0.169 0.000 1.385 56 I HN 0.330 nan 8.210 nan 0.000 0.472 57 Q N 4.387 124.214 119.800 0.045 0.000 2.418 57 Q HA 0.654 4.995 4.340 0.001 0.000 0.276 57 Q C 0.530 176.614 176.000 0.140 0.000 1.081 57 Q CA -0.291 55.553 55.803 0.069 0.000 0.864 57 Q CB 2.002 30.774 28.738 0.057 0.000 1.384 57 Q HN 0.641 nan 8.270 nan 0.000 0.467 58 A N 1.047 123.940 122.820 0.123 0.000 2.014 58 A HA 0.014 4.335 4.320 0.001 0.000 0.218 58 A C 0.553 178.260 177.584 0.205 0.000 1.163 58 A CA 1.041 53.179 52.037 0.169 0.000 0.652 58 A CB -0.542 18.516 19.000 0.095 0.000 0.808 58 A HN 0.614 nan 8.150 nan 0.000 0.449 59 N N -0.062 118.694 118.700 0.094 0.000 2.438 59 N HA 0.153 4.893 4.740 0.001 0.000 0.282 59 N C -0.889 174.534 175.510 -0.145 0.000 1.037 59 N CA -0.315 52.721 53.050 -0.023 0.000 0.942 59 N CB 0.301 38.780 38.487 -0.013 0.000 1.136 59 N HN 0.426 nan 8.380 nan 0.000 0.481 60 H N 1.897 120.654 119.070 -0.522 0.000 2.685 60 H HA 0.191 4.748 4.556 0.001 0.000 0.286 60 H C 0.581 175.695 175.328 -0.356 0.000 1.102 60 H CA -0.330 55.270 56.048 -0.748 0.000 1.254 60 H CB 0.741 29.731 29.762 -1.287 0.000 1.397 60 H HN 0.737 nan 8.280 nan 0.000 0.473 61 T N 0.718 115.272 114.554 0.001 0.000 3.022 61 T HA 0.195 4.546 4.350 0.001 0.000 0.250 61 T C 1.130 175.810 174.700 -0.034 0.000 1.060 61 T CA 0.071 62.144 62.100 -0.045 0.000 1.013 61 T CB 0.299 69.151 68.868 -0.026 0.000 0.982 61 T HN 0.513 nan 8.240 nan 0.000 0.508 62 G N 1.081 109.927 108.800 0.076 0.000 2.467 62 G HA2 0.426 4.387 3.960 0.001 0.000 0.257 62 G HA3 0.426 4.387 3.960 0.001 0.000 0.257 62 G C 0.634 175.486 174.900 -0.080 0.000 1.227 62 G CA 0.149 45.277 45.100 0.047 0.000 0.835 62 G HN 0.414 nan 8.290 nan 0.000 0.556 63 T N -1.168 113.350 114.554 -0.060 0.000 3.111 63 T HA 0.430 4.781 4.350 0.001 0.000 0.284 63 T C 1.048 175.728 174.700 -0.034 0.000 0.983 63 T CA 0.403 62.444 62.100 -0.098 0.000 0.900 63 T CB 0.567 69.378 68.868 -0.094 0.000 1.132 63 T HN 0.738 nan 8.240 nan 0.000 0.531 64 G N 1.681 110.485 108.800 0.007 0.000 2.695 64 G HA2 0.578 4.539 3.960 0.001 0.000 0.213 64 G HA3 0.578 4.539 3.960 0.001 0.000 0.213 64 G C -0.425 174.498 174.900 0.038 0.000 1.406 64 G CA -1.029 44.080 45.100 0.015 0.000 1.049 64 G HN 0.426 nan 8.290 nan 0.000 0.573 65 L N -0.210 121.030 121.223 0.029 0.000 2.540 65 L HA 0.401 4.741 4.340 0.001 0.000 0.276 65 L C -0.397 176.501 176.870 0.047 0.000 1.212 65 L CA -0.094 54.765 54.840 0.032 0.000 0.893 65 L CB 0.539 42.608 42.059 0.017 0.000 1.138 65 L HN 0.312 nan 8.230 nan 0.000 0.491 66 L N 6.329 127.587 121.223 0.059 0.000 2.341 66 L HA 0.577 4.918 4.340 0.001 0.000 0.278 66 L C -1.329 175.556 176.870 0.026 0.000 1.005 66 L CA -0.251 54.625 54.840 0.060 0.000 0.818 66 L CB 1.472 43.610 42.059 0.133 0.000 1.259 66 L HN 0.573 nan 8.230 nan 0.000 0.418 67 L N 4.896 126.112 121.223 -0.011 0.000 2.298 67 L HA 0.542 4.883 4.340 0.001 0.000 0.284 67 L C -0.376 176.479 176.870 -0.025 0.000 1.013 67 L CA -0.424 54.410 54.840 -0.010 0.000 0.824 67 L CB 1.718 43.766 42.059 -0.019 0.000 1.221 67 L HN 0.582 nan 8.230 nan 0.000 0.418 68 T N 4.151 118.704 114.554 -0.002 0.000 2.758 68 T HA 0.339 4.690 4.350 0.001 0.000 0.285 68 T C 0.072 174.783 174.700 0.017 0.000 0.981 68 T CA -0.447 61.643 62.100 -0.016 0.000 0.965 68 T CB 1.462 70.324 68.868 -0.010 0.000 0.927 68 T HN 0.338 nan 8.240 nan 0.000 0.448 69 L N 3.711 124.953 121.223 0.033 0.000 2.490 69 L HA 0.138 4.479 4.340 0.001 0.000 0.274 69 L C 0.076 176.971 176.870 0.042 0.000 1.201 69 L CA 0.323 55.206 54.840 0.073 0.000 0.869 69 L CB 0.490 42.633 42.059 0.141 0.000 1.123 69 L HN 0.608 nan 8.230 nan 0.000 0.484 70 Q N 6.118 125.946 119.800 0.047 0.000 3.064 70 Q HA 0.237 4.578 4.340 0.001 0.000 0.258 70 Q C -1.845 174.161 176.000 0.011 0.000 0.972 70 Q CA -1.495 54.326 55.803 0.029 0.000 0.761 70 Q CB 1.410 30.174 28.738 0.043 0.000 1.281 70 Q HN 0.508 nan 8.270 nan 0.000 0.455 71 P HA -0.118 nan 4.420 nan 0.000 0.223 71 P C 0.593 177.867 177.300 -0.044 0.000 1.151 71 P CA 0.966 64.056 63.100 -0.016 0.000 0.787 71 P CB 0.622 32.316 31.700 -0.010 0.000 0.788 72 E N -0.256 119.918 120.200 -0.044 0.000 2.427 72 E HA -0.011 4.340 4.350 0.001 0.000 0.196 72 E C 0.878 177.407 176.600 -0.118 0.000 1.028 72 E CA 0.452 56.814 56.400 -0.064 0.000 0.864 72 E CB -0.261 29.415 29.700 -0.041 0.000 0.813 72 E HN 0.498 nan 8.360 nan 0.000 0.514 73 Q N 1.189 120.898 119.800 -0.152 0.000 2.349 73 Q HA 0.228 4.569 4.340 0.001 0.000 0.254 73 Q C -0.473 175.173 176.000 -0.591 0.000 0.980 73 Q CA 0.075 55.685 55.803 -0.322 0.000 0.924 73 Q CB 0.894 29.526 28.738 -0.177 0.000 1.209 73 Q HN -0.114 nan 8.270 nan 0.000 0.445 74 K N 3.089 123.058 120.400 -0.717 0.000 2.345 74 K HA 0.452 4.773 4.320 0.001 0.000 0.255 74 K C -0.827 175.365 176.600 -0.680 0.000 0.934 74 K CA -0.280 55.691 56.287 -0.526 0.000 0.801 74 K CB 1.365 33.733 32.500 -0.220 0.000 1.137 74 K HN 0.346 nan 8.250 nan 0.000 0.424 75 F N 0.405 120.378 119.950 0.039 0.000 3.114 75 F HA 0.182 4.710 4.527 0.001 0.000 0.195 75 F C 0.865 176.705 175.800 0.067 0.000 1.540 75 F CA -0.804 57.226 58.000 0.050 0.000 0.910 75 F CB -0.053 38.950 39.000 0.005 0.000 1.972 75 F HN 0.357 nan 8.300 nan 0.000 0.385 76 Q N 2.198 122.177 119.800 0.300 0.000 2.354 76 Q HA 0.244 4.585 4.340 0.001 0.000 0.244 76 Q C -1.194 174.903 176.000 0.162 0.000 0.969 76 Q CA -0.271 55.651 55.803 0.198 0.000 0.885 76 Q CB 1.149 29.988 28.738 0.168 0.000 1.241 76 Q HN 0.376 nan 8.270 nan 0.000 0.461 77 K N 1.245 121.724 120.400 0.132 0.000 2.118 77 K HA 0.408 4.729 4.320 0.001 0.000 0.267 77 K C -0.498 176.171 176.600 0.114 0.000 0.991 77 K CA -0.810 55.546 56.287 0.114 0.000 0.916 77 K CB 1.596 34.151 32.500 0.091 0.000 1.041 77 K HN 0.464 nan 8.250 nan 0.000 0.455 78 V N 3.116 123.102 119.914 0.119 0.000 2.465 78 V HA 0.043 4.164 4.120 0.001 0.000 0.279 78 V C 1.333 177.460 176.094 0.056 0.000 1.045 78 V CA -0.197 62.175 62.300 0.120 0.000 0.938 78 V CB 1.337 33.284 31.823 0.207 0.000 0.986 78 V HN 0.736 nan 8.190 nan 0.000 0.467 79 K N 3.341 123.746 120.400 0.009 0.000 2.067 79 K HA 0.374 4.695 4.320 0.001 0.000 0.203 79 K C 0.665 177.208 176.600 -0.096 0.000 1.048 79 K CA 1.428 57.665 56.287 -0.083 0.000 0.954 79 K CB -0.020 32.419 32.500 -0.102 0.000 0.737 79 K HN 1.025 nan 8.250 nan 0.000 0.444 80 G N -1.936 106.819 108.800 -0.074 0.000 2.350 80 G HA2 0.248 4.209 3.960 0.001 0.000 0.282 80 G HA3 0.248 4.209 3.960 0.001 0.000 0.282 80 G C -1.600 173.181 174.900 -0.200 0.000 1.314 80 G CA -0.864 44.226 45.100 -0.017 0.000 0.915 80 G HN 0.006 nan 8.290 nan 0.000 0.499 81 F N -0.051 119.929 119.950 0.050 0.000 2.591 81 F HA 0.818 5.345 4.527 0.001 0.000 0.309 81 F C 0.785 176.344 175.800 -0.401 0.000 1.098 81 F CA 0.551 58.512 58.000 -0.066 0.000 0.937 81 F CB 2.420 41.385 39.000 -0.058 0.000 1.250 81 F HN 1.186 nan 8.300 nan 0.000 0.447 82 G N 0.241 108.750 108.800 -0.484 0.000 2.510 82 G HA2 0.649 4.610 3.960 0.001 0.000 0.277 82 G HA3 0.649 4.610 3.960 0.001 0.000 0.277 82 G C -1.179 173.277 174.900 -0.740 0.000 1.223 82 G CA -0.081 44.405 45.100 -1.023 0.000 0.887 82 G HN 1.054 nan 8.290 nan 0.000 0.485 83 G N -1.698 106.928 108.800 -0.290 0.000 2.645 83 G HA2 0.745 4.705 3.960 0.001 0.000 0.292 83 G HA3 0.745 4.705 3.960 0.001 0.000 0.292 83 G C -1.269 173.674 174.900 0.072 0.000 1.415 83 G CA 0.460 45.525 45.100 -0.058 0.000 0.785 83 G HN 1.691 nan 8.290 nan 0.000 0.483 84 A N -0.197 122.685 122.820 0.103 0.000 2.292 84 A HA 0.635 4.955 4.320 0.001 0.000 0.319 84 A C -0.048 177.551 177.584 0.026 0.000 1.206 84 A CA -0.613 51.511 52.037 0.144 0.000 0.835 84 A CB 1.237 20.424 19.000 0.311 0.000 1.164 84 A HN 0.725 nan 8.150 nan 0.000 0.505 85 M N 3.955 123.603 119.600 0.080 0.000 3.436 85 M HA 0.167 4.648 4.480 0.001 0.000 0.240 85 M C 0.782 177.094 176.300 0.019 0.000 1.469 85 M CA -0.074 55.256 55.300 0.050 0.000 1.622 85 M CB -1.067 31.591 32.600 0.096 0.000 1.098 85 M HN 0.773 nan 8.290 nan 0.000 0.568 86 T N -1.688 112.801 114.554 -0.108 0.000 2.766 86 T HA 0.189 4.540 4.350 0.001 0.000 0.295 86 T C 0.890 175.557 174.700 -0.055 0.000 1.024 86 T CA -0.625 61.388 62.100 -0.146 0.000 1.018 86 T CB 0.645 69.272 68.868 -0.402 0.000 1.002 86 T HN 0.471 nan 8.240 nan 0.000 0.532 87 D N 0.920 121.314 120.400 -0.009 0.000 2.123 87 D HA -0.113 4.528 4.640 0.001 0.000 0.196 87 D C 2.383 178.691 176.300 0.013 0.000 0.992 87 D CA 1.790 55.811 54.000 0.035 0.000 0.833 87 D CB -0.930 39.921 40.800 0.085 0.000 0.954 87 D HN 0.735 nan 8.370 nan 0.000 0.455 88 A N 1.227 124.052 122.820 0.008 0.000 1.883 88 A HA -0.109 4.212 4.320 0.001 0.000 0.217 88 A C 2.370 179.930 177.584 -0.039 0.000 1.186 88 A CA 2.663 54.711 52.037 0.019 0.000 0.624 88 A CB -0.911 18.158 19.000 0.115 0.000 0.822 88 A HN 0.256 nan 8.150 nan 0.000 0.444 89 A N -0.250 122.505 122.820 -0.108 0.000 1.883 89 A HA 0.114 4.435 4.320 0.001 0.000 0.217 89 A C 2.544 180.106 177.584 -0.036 0.000 1.186 89 A CA 2.418 54.400 52.037 -0.091 0.000 0.624 89 A CB -1.123 17.807 19.000 -0.116 0.000 0.822 89 A HN 1.122 nan 8.150 nan 0.000 0.444 90 A N -0.248 122.559 122.820 -0.021 0.000 1.877 90 A HA -0.043 4.277 4.320 0.001 0.000 0.216 90 A C 2.181 179.762 177.584 -0.006 0.000 1.186 90 A CA 1.497 53.532 52.037 -0.004 0.000 0.620 90 A CB -0.707 18.298 19.000 0.009 0.000 0.822 90 A HN 0.477 nan 8.150 nan 0.000 0.443 91 L N -0.095 121.127 121.223 -0.001 0.000 2.043 91 L HA -0.263 4.077 4.340 0.001 0.000 0.212 91 L C 2.422 179.291 176.870 -0.002 0.000 1.075 91 L CA 1.515 56.357 54.840 0.002 0.000 0.752 91 L CB -0.748 41.319 42.059 0.013 0.000 0.891 91 L HN 0.440 nan 8.230 nan 0.000 0.432 92 N N 0.220 118.915 118.700 -0.008 0.000 2.142 92 N HA -0.123 4.618 4.740 0.001 0.000 0.186 92 N C 1.948 177.441 175.510 -0.028 0.000 1.023 92 N CA 1.406 54.448 53.050 -0.012 0.000 0.852 92 N CB -0.128 38.350 38.487 -0.016 0.000 0.998 92 N HN 0.344 nan 8.380 nan 0.000 0.424 93 I N 1.180 121.727 120.570 -0.038 0.000 2.252 93 I HA -0.202 3.969 4.170 0.001 0.000 0.245 93 I C 1.919 178.010 176.117 -0.042 0.000 1.102 93 I CA 0.858 62.121 61.300 -0.061 0.000 1.385 93 I CB -0.155 37.819 38.000 -0.043 0.000 1.064 93 I HN 0.027 nan 8.210 nan 0.000 0.414 94 L N 0.425 121.635 121.223 -0.023 0.000 2.551 94 L HA -0.050 4.291 4.340 0.001 0.000 0.228 94 L C 2.418 179.282 176.870 -0.009 0.000 1.153 94 L CA 0.387 55.218 54.840 -0.014 0.000 0.851 94 L CB -0.434 41.618 42.059 -0.010 0.000 0.959 94 L HN 0.211 nan 8.230 nan 0.000 0.451 95 A N -0.400 122.415 122.820 -0.008 0.000 2.208 95 A HA 0.166 4.486 4.320 0.001 0.000 0.209 95 A C 1.050 178.637 177.584 0.004 0.000 1.161 95 A CA 0.100 52.137 52.037 0.000 0.000 0.782 95 A CB -0.173 18.830 19.000 0.005 0.000 0.816 95 A HN 0.243 nan 8.150 nan 0.000 0.477 96 L N 0.908 122.130 121.223 -0.002 0.000 2.439 96 L HA 0.245 4.586 4.340 0.001 0.000 0.261 96 L C 1.040 177.917 176.870 0.012 0.000 1.153 96 L CA -0.508 54.339 54.840 0.011 0.000 0.808 96 L CB 1.071 43.135 42.059 0.008 0.000 1.126 96 L HN 0.345 nan 8.230 nan 0.000 0.460 97 S N 0.697 116.410 115.700 0.022 0.000 2.579 97 S HA 0.136 4.607 4.470 0.001 0.000 0.275 97 S C -1.923 172.688 174.600 0.018 0.000 1.345 97 S CA -1.028 57.184 58.200 0.019 0.000 1.031 97 S CB 0.756 63.970 63.200 0.023 0.000 0.892 97 S HN 0.412 nan 8.310 nan 0.000 0.529 98 P HA -0.066 nan 4.420 nan 0.000 0.216 98 P C -1.517 175.794 177.300 0.017 0.000 1.154 98 P CA 1.413 64.519 63.100 0.010 0.000 0.865 98 P CB -1.189 30.516 31.700 0.008 0.000 0.789 99 P HA -0.101 nan 4.420 nan 0.000 0.218 99 P C 1.367 178.700 177.300 0.055 0.000 1.149 99 P CA 1.735 64.855 63.100 0.033 0.000 0.817 99 P CB -0.596 31.123 31.700 0.031 0.000 0.785 100 A N -0.144 122.719 122.820 0.070 0.000 1.897 100 A HA -0.216 4.105 4.320 0.001 0.000 0.215 100 A C 2.250 179.864 177.584 0.050 0.000 1.181 100 A CA 1.304 53.425 52.037 0.139 0.000 0.620 100 A CB -1.259 17.840 19.000 0.164 0.000 0.821 100 A HN 0.157 nan 8.150 nan 0.000 0.443 101 Q N -0.060 119.733 119.800 -0.011 0.000 2.112 101 Q HA -0.211 4.130 4.340 0.001 0.000 0.206 101 Q C 1.766 177.731 176.000 -0.057 0.000 0.987 101 Q CA 1.610 57.373 55.803 -0.067 0.000 0.858 101 Q CB -0.298 28.421 28.738 -0.031 0.000 0.905 101 Q HN 0.617 nan 8.270 nan 0.000 0.420 102 N N 0.473 119.170 118.700 -0.006 0.000 2.188 102 N HA -0.081 4.660 4.740 0.001 0.000 0.184 102 N C 1.837 177.360 175.510 0.021 0.000 1.018 102 N CA 0.905 53.963 53.050 0.013 0.000 0.858 102 N CB -0.136 38.364 38.487 0.022 0.000 0.989 102 N HN 0.236 nan 8.380 nan 0.000 0.426 103 L N 0.645 121.895 121.223 0.044 0.000 2.093 103 L HA -0.070 4.271 4.340 0.001 0.000 0.208 103 L C 2.379 179.276 176.870 0.045 0.000 1.085 103 L CA 0.587 55.485 54.840 0.096 0.000 0.755 103 L CB -0.349 41.830 42.059 0.201 0.000 0.904 103 L HN 0.150 nan 8.230 nan 0.000 0.435 104 L N -0.237 120.844 121.223 -0.236 0.000 2.027 104 L HA -0.200 4.141 4.340 0.001 0.000 0.206 104 L C 2.512 179.260 176.870 -0.205 0.000 1.074 104 L CA 1.304 55.762 54.840 -0.637 0.000 0.745 104 L CB -0.069 41.297 42.059 -1.154 0.000 0.898 104 L HN 0.163 nan 8.230 nan 0.000 0.433 105 L N -0.132 121.077 121.223 -0.023 0.000 2.042 105 L HA -0.255 4.085 4.340 0.001 0.000 0.210 105 L C 2.661 179.682 176.870 0.252 0.000 1.076 105 L CA 1.531 56.506 54.840 0.225 0.000 0.749 105 L CB -0.587 41.581 42.059 0.182 0.000 0.893 105 L HN 0.258 nan 8.230 nan 0.000 0.432 106 K N -0.430 120.044 120.400 0.123 0.000 2.147 106 K HA -0.115 4.206 4.320 0.001 0.000 0.205 106 K C 2.314 178.959 176.600 0.075 0.000 1.049 106 K CA 1.366 57.721 56.287 0.113 0.000 0.936 106 K CB -0.134 32.408 32.500 0.070 0.000 0.722 106 K HN 0.149 nan 8.250 nan 0.000 0.446 107 S N 0.336 116.038 115.700 0.004 0.000 2.370 107 S HA -0.156 4.314 4.470 0.001 0.000 0.226 107 S C 1.781 176.366 174.600 -0.026 0.000 1.033 107 S CA 1.311 59.490 58.200 -0.035 0.000 1.011 107 S CB -0.271 62.774 63.200 -0.258 0.000 0.852 107 S HN 0.337 nan 8.310 nan 0.000 0.457 108 Y N -0.897 119.286 120.300 -0.195 0.000 2.206 108 Y HA 0.037 4.588 4.550 0.001 0.000 0.292 108 Y C 1.715 177.166 175.900 -0.747 0.000 1.123 108 Y CA 0.866 58.528 58.100 -0.729 0.000 1.142 108 Y CB -0.007 37.774 38.460 -1.131 0.000 1.006 108 Y HN 0.218 nan 8.280 nan 0.000 0.518 109 F N -1.219 118.803 119.950 0.120 0.000 2.717 109 F HA 0.103 4.631 4.527 0.001 0.000 0.297 109 F C 1.319 177.161 175.800 0.070 0.000 1.113 109 F CA -0.295 57.770 58.000 0.107 0.000 1.319 109 F CB 0.062 39.128 39.000 0.111 0.000 1.097 109 F HN -0.196 nan 8.300 nan 0.000 0.595 110 S N -0.037 115.779 115.700 0.193 0.000 2.681 110 S HA 0.155 4.626 4.470 0.001 0.000 0.270 110 S C 1.101 175.745 174.600 0.072 0.000 1.209 110 S CA -0.639 57.637 58.200 0.127 0.000 0.988 110 S CB 1.005 64.271 63.200 0.109 0.000 1.006 110 S HN 0.133 nan 8.310 nan 0.000 0.558 111 E N 0.524 120.758 120.200 0.057 0.000 2.274 111 E HA -0.068 4.283 4.350 0.001 0.000 0.194 111 E C 1.131 177.761 176.600 0.050 0.000 0.996 111 E CA 0.753 57.164 56.400 0.019 0.000 0.840 111 E CB -0.234 29.484 29.700 0.030 0.000 0.772 111 E HN 0.694 nan 8.360 nan 0.000 0.491 112 E N 0.338 120.601 120.200 0.105 0.000 2.511 112 E HA 0.043 4.393 4.350 0.001 0.000 0.196 112 E C 0.958 177.731 176.600 0.289 0.000 1.066 112 E CA 0.455 56.965 56.400 0.183 0.000 0.871 112 E CB 0.151 29.916 29.700 0.108 0.000 0.863 112 E HN 0.248 nan 8.360 nan 0.000 0.520 113 G N 0.213 109.141 108.800 0.213 0.000 3.286 113 G HA2 0.379 4.339 3.960 0.001 0.000 0.166 113 G HA3 0.379 4.339 3.960 0.001 0.000 0.166 113 G C 0.463 175.413 174.900 0.084 0.000 1.155 113 G CA -0.244 44.997 45.100 0.235 0.000 0.871 113 G HN 0.205 nan 8.290 nan 0.000 0.637 114 I N -2.410 118.098 120.570 -0.104 0.000 3.974 114 I HA 0.525 4.696 4.170 0.001 0.000 0.334 114 I C 1.128 177.087 176.117 -0.263 0.000 1.437 114 I CA 0.317 61.422 61.300 -0.326 0.000 1.113 114 I CB 0.625 38.304 38.000 -0.535 0.000 1.063 114 I HN 0.840 nan 8.210 nan 0.000 0.400 115 G N 1.297 110.015 108.800 -0.137 0.000 2.246 115 G HA2 -0.317 3.644 3.960 0.001 0.000 0.273 115 G HA3 -0.317 3.644 3.960 0.001 0.000 0.273 115 G C 0.012 174.991 174.900 0.133 0.000 1.055 115 G CA -0.100 44.987 45.100 -0.021 0.000 0.851 115 G HN 0.637 nan 8.290 nan 0.000 0.500 116 Y N 0.304 120.558 120.300 -0.078 0.000 2.702 116 Y HA 0.055 4.606 4.550 0.001 0.000 0.336 116 Y C 1.651 177.655 175.900 0.174 0.000 1.235 116 Y CA 0.510 58.598 58.100 -0.019 0.000 1.492 116 Y CB 0.544 38.807 38.460 -0.328 0.000 1.308 116 Y HN 0.476 nan 8.280 nan 0.000 0.589 117 N N 2.811 121.672 118.700 0.268 0.000 2.232 117 N HA 0.184 4.924 4.740 0.001 0.000 0.240 117 N C -1.002 174.571 175.510 0.106 0.000 1.307 117 N CA 0.128 53.290 53.050 0.187 0.000 0.859 117 N CB 0.249 38.799 38.487 0.106 0.000 1.260 117 N HN 0.477 nan 8.380 nan 0.000 0.501 118 I N 1.025 121.668 120.570 0.122 0.000 2.619 118 I HA 0.482 4.653 4.170 0.001 0.000 0.292 118 I C -0.924 175.287 176.117 0.157 0.000 1.100 118 I CA -0.860 60.495 61.300 0.092 0.000 1.043 118 I CB 2.405 40.450 38.000 0.075 0.000 1.239 118 I HN -0.171 nan 8.210 nan 0.000 0.420 119 I N 4.962 125.633 120.570 0.169 0.000 2.466 119 I HA 0.452 4.623 4.170 0.001 0.000 0.289 119 I C -0.260 175.982 176.117 0.208 0.000 1.026 119 I CA -0.583 60.828 61.300 0.186 0.000 1.078 119 I CB 2.082 40.171 38.000 0.148 0.000 1.249 119 I HN 0.518 nan 8.210 nan 0.000 0.429 120 R N 5.289 125.927 120.500 0.229 0.000 2.297 120 R HA 0.698 5.038 4.340 0.001 0.000 0.308 120 R C -1.520 174.957 176.300 0.295 0.000 1.029 120 R CA -0.400 55.869 56.100 0.282 0.000 0.929 120 R CB 1.345 31.823 30.300 0.297 0.000 1.046 120 R HN 0.477 nan 8.270 nan 0.000 0.461 121 V N 7.110 127.225 119.914 0.335 0.000 2.376 121 V HA 0.343 4.463 4.120 0.001 0.000 0.287 121 V C -2.243 174.023 176.094 0.286 0.000 1.015 121 V CA -2.215 60.280 62.300 0.326 0.000 0.834 121 V CB 1.634 33.718 31.823 0.434 0.000 1.001 121 V HN 0.844 nan 8.190 nan 0.000 0.428 122 P HA 0.201 nan 4.420 nan 0.000 0.268 122 P C -0.307 177.088 177.300 0.158 0.000 1.204 122 P CA 0.092 63.343 63.100 0.253 0.000 0.768 122 P CB 0.387 32.056 31.700 -0.052 0.000 0.842 123 M N 3.377 123.010 119.600 0.054 0.000 2.201 123 M HA 0.423 4.903 4.480 0.001 0.000 0.345 123 M C 0.728 177.016 176.300 -0.019 0.000 1.352 123 M CA 0.266 55.561 55.300 -0.009 0.000 1.218 123 M CB -0.383 31.988 32.600 -0.381 0.000 1.512 123 M HN 0.591 nan 8.290 nan 0.000 0.447 124 A N 1.951 124.676 122.820 -0.158 0.000 5.950 124 A HA -0.168 4.153 4.320 0.001 0.000 0.259 124 A C 0.283 177.575 177.584 -0.487 0.000 2.176 124 A CA 0.408 52.112 52.037 -0.554 0.000 0.709 124 A CB -1.728 16.698 19.000 -0.956 0.000 1.054 124 A HN 0.929 nan 8.150 nan 0.000 0.357 125 S N -0.183 114.942 115.700 -0.957 0.000 2.584 125 S HA 0.614 5.085 4.470 0.001 0.000 0.273 125 S C 0.486 174.814 174.600 -0.454 0.000 1.311 125 S CA 0.253 57.976 58.200 -0.794 0.000 1.034 125 S CB 0.552 63.101 63.200 -1.085 0.000 0.939 125 S HN 2.502 nan 8.310 nan 0.000 0.513 126 C N 1.079 120.127 119.300 -0.421 0.000 3.327 126 C HA 0.655 5.115 4.460 0.001 0.000 0.366 126 C C 1.396 176.336 174.990 -0.083 0.000 2.438 126 C CA 0.007 58.715 59.018 -0.516 0.000 1.438 126 C CB 0.503 27.361 27.740 -1.470 0.000 2.876 126 C HN 0.862 nan 8.230 nan 0.000 0.483 127 D N 0.627 120.932 120.400 -0.159 0.000 2.178 127 D HA -0.118 4.523 4.640 0.001 0.000 0.202 127 D C 0.652 176.741 176.300 -0.353 0.000 0.974 127 D CA 1.158 54.933 54.000 -0.375 0.000 0.841 127 D CB -0.496 39.625 40.800 -1.131 0.000 0.953 127 D HN 0.589 nan 8.370 nan 0.000 0.478 128 F N 1.301 121.168 119.950 -0.138 0.000 2.733 128 F HA 0.285 4.813 4.527 0.002 0.000 0.344 128 F C 0.375 176.115 175.800 -0.099 0.000 1.179 128 F CA -0.042 57.861 58.000 -0.163 0.000 1.316 128 F CB 0.100 38.874 39.000 -0.376 0.000 1.577 128 F HN -0.258 nan 8.300 nan 0.000 0.591 129 S N 0.345 116.107 115.700 0.103 0.000 2.627 129 S HA 0.455 4.926 4.470 0.001 0.000 0.283 129 S C 0.765 175.457 174.600 0.152 0.000 1.127 129 S CA -0.734 57.536 58.200 0.117 0.000 0.863 129 S CB 1.753 64.990 63.200 0.062 0.000 1.121 129 S HN 0.402 nan 8.310 nan 0.000 0.479 130 I N -0.778 119.855 120.570 0.105 0.000 3.883 130 I HA 0.400 4.571 4.170 0.001 0.000 0.326 130 I C 0.397 176.520 176.117 0.011 0.000 1.283 130 I CA -0.126 61.226 61.300 0.086 0.000 1.161 130 I CB -0.102 37.934 38.000 0.060 0.000 1.012 130 I HN 0.483 nan 8.210 nan 0.000 0.421 131 R N 0.639 121.105 120.500 -0.057 0.000 2.752 131 R HA 0.511 4.852 4.340 0.001 0.000 0.271 131 R C -0.898 175.214 176.300 -0.314 0.000 1.026 131 R CA -0.494 55.492 56.100 -0.190 0.000 0.901 131 R CB 0.585 30.858 30.300 -0.046 0.000 1.243 131 R HN 0.077 nan 8.270 nan 0.000 0.463 132 T N -0.714 113.580 114.554 -0.433 0.000 2.837 132 T HA 0.642 4.993 4.350 0.001 0.000 0.285 132 T C -0.540 174.083 174.700 -0.129 0.000 0.984 132 T CA -0.526 61.304 62.100 -0.450 0.000 1.049 132 T CB 0.552 69.090 68.868 -0.550 0.000 0.947 132 T HN 0.638 nan 8.240 nan 0.000 0.472 133 Y N -1.000 119.179 120.300 -0.202 0.000 2.641 133 Y HA 0.705 5.255 4.550 0.001 0.000 0.333 133 Y C -0.458 175.347 175.900 -0.158 0.000 1.174 133 Y CA -1.125 56.888 58.100 -0.145 0.000 1.057 133 Y CB 0.774 39.161 38.460 -0.122 0.000 1.322 133 Y HN 0.962 nan 8.280 nan 0.000 0.457 134 T N -2.598 111.948 114.554 -0.014 0.000 2.773 134 T HA 0.424 4.775 4.350 0.001 0.000 0.278 134 T C -0.388 174.351 174.700 0.066 0.000 1.011 134 T CA -0.659 61.388 62.100 -0.089 0.000 1.014 134 T CB 1.043 69.898 68.868 -0.020 0.000 1.293 134 T HN 0.768 nan 8.240 nan 0.000 0.554 135 Y N -0.127 120.281 120.300 0.181 0.000 2.544 135 Y HA 0.477 5.028 4.550 0.001 0.000 0.286 135 Y C 1.688 177.442 175.900 -0.243 0.000 1.141 135 Y CA -0.109 57.829 58.100 -0.269 0.000 1.299 135 Y CB 0.390 38.216 38.460 -1.057 0.000 1.030 135 Y HN 0.773 nan 8.280 nan 0.000 0.543 136 A N -0.371 122.621 122.820 0.286 0.000 3.410 136 A HA 0.240 4.560 4.320 0.001 0.000 0.276 136 A C -0.042 177.825 177.584 0.472 0.000 0.995 136 A CA -0.438 51.831 52.037 0.387 0.000 0.934 136 A CB -0.190 19.166 19.000 0.593 0.000 1.191 136 A HN 0.139 nan 8.150 nan 0.000 0.511 137 D N 0.422 121.017 120.400 0.325 0.000 2.317 137 D HA -0.023 4.617 4.640 0.001 0.000 0.211 137 D C 0.334 176.823 176.300 0.315 0.000 0.966 137 D CA 1.030 55.229 54.000 0.332 0.000 0.876 137 D CB 0.240 41.145 40.800 0.177 0.000 0.927 137 D HN 0.407 nan 8.370 nan 0.000 0.519 138 T N 3.713 118.388 114.554 0.201 0.000 2.784 138 T HA 0.145 4.495 4.350 0.001 0.000 0.291 138 T C -2.303 172.193 174.700 -0.340 0.000 0.942 138 T CA -1.057 61.040 62.100 -0.006 0.000 1.161 138 T CB 1.214 70.081 68.868 -0.001 0.000 0.885 138 T HN -0.018 nan 8.240 nan 0.000 0.534 139 P HA 0.132 nan 4.420 nan 0.000 0.270 139 P C -0.081 176.406 177.300 -1.354 0.000 1.223 139 P CA -0.218 62.035 63.100 -1.411 0.000 0.785 139 P CB 0.297 31.640 31.700 -0.595 0.000 0.923 140 D N -0.745 118.576 120.400 -1.799 0.000 2.686 140 D HA -0.214 4.426 4.640 0.001 0.000 0.235 140 D C -0.304 175.581 176.300 -0.692 0.000 1.160 140 D CA 1.080 54.480 54.000 -1.000 0.000 0.645 140 D CB -1.793 38.855 40.800 -0.254 0.000 1.039 140 D HN 0.448 nan 8.370 nan 0.000 0.423 141 D N -0.949 118.881 120.400 -0.949 0.000 2.736 141 D HA 0.213 4.854 4.640 0.001 0.000 0.293 141 D C 0.719 177.079 176.300 0.100 0.000 1.241 141 D CA -0.670 53.208 54.000 -0.202 0.000 0.965 141 D CB -0.514 40.254 40.800 -0.053 0.000 0.992 141 D HN 0.061 nan 8.370 nan 0.000 0.510 142 F N 0.278 120.342 119.950 0.191 0.000 2.293 142 F HA -0.056 4.472 4.527 0.001 0.000 0.300 142 F C 2.234 178.144 175.800 0.182 0.000 1.086 142 F CA 0.682 58.846 58.000 0.272 0.000 1.375 142 F CB 0.261 39.351 39.000 0.149 0.000 1.045 142 F HN 0.236 nan 8.300 nan 0.000 0.516 143 Q N 0.200 120.136 119.800 0.227 0.000 2.444 143 Q HA 0.115 4.455 4.340 0.001 0.000 0.206 143 Q C 0.854 176.791 176.000 -0.104 0.000 0.948 143 Q CA 0.215 56.019 55.803 0.001 0.000 0.946 143 Q CB -0.157 28.481 28.738 -0.167 0.000 1.027 143 Q HN 0.483 nan 8.270 nan 0.000 0.513 144 L N 0.642 121.929 121.223 0.107 0.000 3.660 144 L HA -0.307 4.033 4.340 0.001 0.000 0.440 144 L C 0.655 177.603 176.870 0.130 0.000 1.262 144 L CA 0.101 55.069 54.840 0.214 0.000 0.837 144 L CB -1.898 40.335 42.059 0.291 0.000 1.689 144 L HN 0.393 nan 8.230 nan 0.000 0.890 145 H N -0.910 118.277 119.070 0.194 0.000 2.462 145 H HA -0.015 4.542 4.556 0.001 0.000 0.292 145 H C 1.680 177.106 175.328 0.163 0.000 1.049 145 H CA 1.401 57.538 56.048 0.149 0.000 1.334 145 H CB 0.218 30.043 29.762 0.105 0.000 1.404 145 H HN 0.448 nan 8.280 nan 0.000 0.544 146 N N 0.246 119.119 118.700 0.288 0.000 2.322 146 N HA -0.019 4.722 4.740 0.001 0.000 0.194 146 N C -0.513 175.153 175.510 0.259 0.000 1.126 146 N CA -0.093 53.094 53.050 0.228 0.000 0.845 146 N CB -0.157 38.431 38.487 0.167 0.000 0.976 146 N HN 0.210 nan 8.380 nan 0.000 0.475 147 F N 2.307 122.351 119.950 0.157 0.000 2.578 147 F HA 0.079 4.607 4.527 0.001 0.000 0.381 147 F C 0.590 176.443 175.800 0.088 0.000 1.069 147 F CA -0.164 57.914 58.000 0.130 0.000 1.231 147 F CB 0.335 39.368 39.000 0.056 0.000 1.086 147 F HN -0.034 nan 8.300 nan 0.000 0.564 148 S N 6.182 121.760 115.700 -0.203 0.000 2.550 148 S HA 0.581 5.052 4.470 0.001 0.000 0.270 148 S C -1.243 173.261 174.600 -0.159 0.000 1.145 148 S CA -1.239 56.930 58.200 -0.052 0.000 0.852 148 S CB 1.341 64.569 63.200 0.046 0.000 1.119 148 S HN 0.662 nan 8.310 nan 0.000 0.465 149 L N 2.858 124.047 121.223 -0.056 0.000 2.290 149 L HA 0.466 4.807 4.340 0.001 0.000 0.284 149 L C -1.616 175.271 176.870 0.028 0.000 1.078 149 L CA -1.599 53.233 54.840 -0.012 0.000 0.815 149 L CB 0.596 42.618 42.059 -0.061 0.000 1.162 149 L HN 0.613 nan 8.230 nan 0.000 0.435 150 P HA 0.052 nan 4.420 nan 0.000 0.297 150 P C 0.292 177.539 177.300 -0.088 0.000 1.303 150 P CA -0.481 62.573 63.100 -0.077 0.000 0.753 150 P CB 0.922 32.467 31.700 -0.258 0.000 1.281 151 E N -0.159 119.967 120.200 -0.124 0.000 2.150 151 E HA -0.211 4.140 4.350 0.001 0.000 0.193 151 E C 1.469 178.015 176.600 -0.090 0.000 0.985 151 E CA 1.156 57.498 56.400 -0.097 0.000 0.814 151 E CB -0.010 29.636 29.700 -0.090 0.000 0.752 151 E HN 0.321 nan 8.360 nan 0.000 0.466 152 E N 0.985 121.110 120.200 -0.125 0.000 2.097 152 E HA -0.201 4.150 4.350 0.001 0.000 0.196 152 E C 1.555 178.171 176.600 0.026 0.000 1.000 152 E CA 2.048 58.419 56.400 -0.048 0.000 0.804 152 E CB -0.059 29.614 29.700 -0.045 0.000 0.740 152 E HN 0.395 nan 8.360 nan 0.000 0.454 153 D N -1.117 119.318 120.400 0.057 0.000 2.085 153 D HA -0.113 4.528 4.640 0.001 0.000 0.199 153 D C 2.072 178.281 176.300 -0.152 0.000 0.981 153 D CA 2.064 56.090 54.000 0.043 0.000 0.834 153 D CB -0.444 40.434 40.800 0.131 0.000 0.992 153 D HN 0.283 nan 8.370 nan 0.000 0.457 154 T N -1.411 113.034 114.554 -0.182 0.000 2.867 154 T HA -0.106 4.245 4.350 0.001 0.000 0.268 154 T C 1.704 176.322 174.700 -0.136 0.000 1.057 154 T CA 1.029 62.985 62.100 -0.240 0.000 1.136 154 T CB -0.028 68.755 68.868 -0.143 0.000 0.874 154 T HN 0.039 nan 8.240 nan 0.000 0.466 155 K N 0.188 120.537 120.400 -0.085 0.000 2.276 155 K HA 0.262 4.583 4.320 0.001 0.000 0.198 155 K C 1.889 178.463 176.600 -0.043 0.000 1.052 155 K CA 0.169 56.424 56.287 -0.052 0.000 0.984 155 K CB 0.131 32.606 32.500 -0.041 0.000 0.836 155 K HN 0.395 nan 8.250 nan 0.000 0.490 156 L N 0.024 121.223 121.223 -0.041 0.000 2.416 156 L HA 0.147 4.487 4.340 0.001 0.000 0.188 156 L C 2.222 179.082 176.870 -0.018 0.000 1.145 156 L CA 0.200 55.028 54.840 -0.021 0.000 0.826 156 L CB -0.505 41.550 42.059 -0.007 0.000 1.064 156 L HN -0.135 nan 8.230 nan 0.000 0.490 157 K N 0.767 121.169 120.400 0.004 0.000 2.002 157 K HA -0.070 4.250 4.320 0.001 0.000 0.209 157 K C 2.064 178.644 176.600 -0.032 0.000 1.048 157 K CA 1.486 57.793 56.287 0.034 0.000 0.930 157 K CB -0.202 32.383 32.500 0.142 0.000 0.714 157 K HN 0.159 nan 8.250 nan 0.000 0.438 158 I N 0.896 121.388 120.570 -0.130 0.000 2.142 158 I HA -0.193 3.978 4.170 0.001 0.000 0.240 158 I C -0.983 174.979 176.117 -0.258 0.000 1.078 158 I CA 1.108 62.227 61.300 -0.302 0.000 1.343 158 I CB -0.946 36.724 38.000 -0.551 0.000 1.046 158 I HN 0.077 nan 8.210 nan 0.000 0.405 159 P HA -0.143 nan 4.420 nan 0.000 0.218 159 P C 1.924 179.222 177.300 -0.004 0.000 1.149 159 P CA 1.386 64.499 63.100 0.022 0.000 0.817 159 P CB 0.011 31.723 31.700 0.019 0.000 0.785 160 L N -1.344 119.855 121.223 -0.040 0.000 2.046 160 L HA -0.156 4.185 4.340 0.001 0.000 0.208 160 L C 2.409 179.221 176.870 -0.096 0.000 1.077 160 L CA 1.367 56.181 54.840 -0.042 0.000 0.747 160 L CB -0.781 41.265 42.059 -0.021 0.000 0.896 160 L HN -0.071 nan 8.230 nan 0.000 0.432 161 I N -1.084 119.407 120.570 -0.132 0.000 2.163 161 I HA -0.338 3.832 4.170 0.001 0.000 0.243 161 I C 2.651 178.660 176.117 -0.180 0.000 1.085 161 I CA 1.122 62.305 61.300 -0.195 0.000 1.347 161 I CB -0.589 37.306 38.000 -0.175 0.000 1.044 161 I HN 0.317 nan 8.210 nan 0.000 0.408 162 H N 1.084 120.094 119.070 -0.100 0.000 2.352 162 H HA -0.121 4.435 4.556 0.001 0.000 0.299 162 H C 2.496 177.766 175.328 -0.097 0.000 1.097 162 H CA 1.515 57.510 56.048 -0.088 0.000 1.311 162 H CB -0.294 29.431 29.762 -0.061 0.000 1.377 162 H HN 0.314 nan 8.280 nan 0.000 0.504 163 R N 0.238 120.763 120.500 0.041 0.000 2.092 163 R HA -0.021 4.319 4.340 0.001 0.000 0.231 163 R C 2.592 178.845 176.300 -0.080 0.000 1.119 163 R CA 0.943 57.037 56.100 -0.010 0.000 0.970 163 R CB -0.202 30.096 30.300 -0.002 0.000 0.864 163 R HN 0.231 nan 8.270 nan 0.000 0.440 164 A N 1.487 124.175 122.820 -0.220 0.000 1.865 164 A HA -0.163 4.158 4.320 0.001 0.000 0.217 164 A C 2.160 179.542 177.584 -0.336 0.000 1.191 164 A CA 1.313 53.036 52.037 -0.523 0.000 0.623 164 A CB -0.655 17.635 19.000 -1.184 0.000 0.826 164 A HN 0.174 nan 8.150 nan 0.000 0.444 165 L N -0.846 120.244 121.223 -0.221 0.000 2.083 165 L HA -0.229 4.112 4.340 0.001 0.000 0.209 165 L C 2.905 179.757 176.870 -0.030 0.000 1.083 165 L CA 1.880 56.660 54.840 -0.099 0.000 0.752 165 L CB -0.768 41.261 42.059 -0.052 0.000 0.899 165 L HN 0.665 nan 8.230 nan 0.000 0.433 166 Q N 0.651 120.439 119.800 -0.020 0.000 2.124 166 Q HA -0.188 4.152 4.340 0.001 0.000 0.202 166 Q C 2.314 178.325 176.000 0.017 0.000 0.977 166 Q CA 1.325 57.128 55.803 0.000 0.000 0.850 166 Q CB 0.047 28.783 28.738 -0.002 0.000 0.901 166 Q HN 0.524 nan 8.270 nan 0.000 0.429 167 L N 0.542 121.780 121.223 0.025 0.000 2.179 167 L HA 0.083 4.424 4.340 0.001 0.000 0.208 167 L C 1.068 177.998 176.870 0.100 0.000 1.096 167 L CA 0.112 54.994 54.840 0.070 0.000 0.779 167 L CB -0.311 41.814 42.059 0.109 0.000 0.922 167 L HN 0.129 nan 8.230 nan 0.000 0.443 168 A N -0.120 122.764 122.820 0.108 0.000 2.488 168 A HA 0.072 4.393 4.320 0.001 0.000 0.249 168 A C 1.004 178.636 177.584 0.080 0.000 1.083 168 A CA -0.147 51.969 52.037 0.131 0.000 0.768 168 A CB 0.464 19.555 19.000 0.152 0.000 1.017 168 A HN 0.347 nan 8.150 nan 0.000 0.496 169 Q N 1.504 121.349 119.800 0.075 0.000 2.062 169 Q HA -0.063 4.278 4.340 0.001 0.000 0.196 169 Q C 0.291 176.320 176.000 0.048 0.000 0.967 169 Q CA 0.820 56.655 55.803 0.054 0.000 0.832 169 Q CB -0.060 28.708 28.738 0.050 0.000 0.899 169 Q HN 0.775 nan 8.270 nan 0.000 0.442 170 R N 1.994 122.527 120.500 0.055 0.000 2.570 170 R HA 0.102 4.443 4.340 0.001 0.000 0.277 170 R C -2.342 173.984 176.300 0.044 0.000 1.039 170 R CA -1.438 54.690 56.100 0.046 0.000 1.065 170 R CB -0.329 30.004 30.300 0.054 0.000 0.964 170 R HN 0.026 nan 8.270 nan 0.000 0.428 171 P HA -0.026 nan 4.420 nan 0.000 0.264 171 P C -0.772 176.532 177.300 0.008 0.000 1.193 171 P CA 0.059 63.165 63.100 0.010 0.000 0.763 171 P CB 0.567 32.264 31.700 -0.005 0.000 0.810 172 V N 3.489 123.407 119.914 0.007 0.000 2.427 172 V HA 0.262 4.383 4.120 0.001 0.000 0.286 172 V C 0.396 176.475 176.094 -0.025 0.000 1.034 172 V CA -0.204 62.104 62.300 0.015 0.000 0.893 172 V CB 1.533 33.369 31.823 0.023 0.000 0.982 172 V HN 0.466 nan 8.190 nan 0.000 0.452 173 S N 5.622 121.294 115.700 -0.047 0.000 2.462 173 S HA 0.663 5.133 4.470 0.001 0.000 0.294 173 S C -0.390 174.250 174.600 0.068 0.000 1.144 173 S CA -0.502 57.676 58.200 -0.035 0.000 1.088 173 S CB 0.868 63.892 63.200 -0.295 0.000 1.009 173 S HN 0.489 nan 8.310 nan 0.000 0.484 174 L N 3.434 124.701 121.223 0.074 0.000 2.309 174 L HA 0.609 4.950 4.340 0.001 0.000 0.282 174 L C -0.763 176.322 176.870 0.359 0.000 1.036 174 L CA -0.879 53.965 54.840 0.007 0.000 0.806 174 L CB 1.151 42.832 42.059 -0.630 0.000 1.220 174 L HN 0.418 nan 8.230 nan 0.000 0.429 175 L N 3.376 124.863 121.223 0.440 0.000 2.376 175 L HA 0.801 5.142 4.340 0.001 0.000 0.275 175 L C -0.461 176.632 176.870 0.371 0.000 0.987 175 L CA -0.135 54.941 54.840 0.393 0.000 0.828 175 L CB 1.523 43.757 42.059 0.292 0.000 1.249 175 L HN 0.647 nan 8.230 nan 0.000 0.409 176 A N 3.248 126.166 122.820 0.164 0.000 2.325 176 A HA 0.929 5.250 4.320 0.001 0.000 0.333 176 A C -0.636 176.865 177.584 -0.137 0.000 1.155 176 A CA -0.446 51.532 52.037 -0.100 0.000 0.814 176 A CB 1.146 19.720 19.000 -0.710 0.000 1.206 176 A HN 0.710 nan 8.150 nan 0.000 0.482 177 S N 2.240 117.898 115.700 -0.070 0.000 2.572 177 S HA 0.704 5.175 4.470 0.001 0.000 0.274 177 S C -3.078 171.552 174.600 0.050 0.000 1.150 177 S CA -0.804 57.367 58.200 -0.049 0.000 0.944 177 S CB 2.279 65.457 63.200 -0.037 0.000 1.071 177 S HN 0.624 nan 8.310 nan 0.000 0.479 178 P HA 0.360 nan 4.420 nan 0.000 0.287 178 P C 0.073 177.530 177.300 0.260 0.000 1.270 178 P CA -0.701 62.494 63.100 0.158 0.000 0.844 178 P CB 1.157 32.900 31.700 0.071 0.000 1.068 179 W N 0.321 121.637 121.300 0.027 0.000 2.678 179 W HA 0.053 4.713 4.660 0.001 0.000 0.282 179 W C 0.742 177.258 176.519 -0.005 0.000 1.137 179 W CA 0.697 58.069 57.345 0.046 0.000 1.515 179 W CB 0.220 29.727 29.460 0.079 0.000 1.101 179 W HN 0.235 nan 8.180 nan 0.000 0.564 180 T N 0.161 114.808 114.554 0.155 0.000 2.916 180 T HA 0.344 4.695 4.350 0.001 0.000 0.292 180 T C -0.049 174.432 174.700 -0.363 0.000 1.055 180 T CA -0.433 61.598 62.100 -0.116 0.000 1.009 180 T CB 1.566 70.375 68.868 -0.099 0.000 1.118 180 T HN -0.044 nan 8.240 nan 0.000 0.497 181 S N 3.422 118.624 115.700 -0.830 0.000 2.669 181 S HA 0.636 5.107 4.470 0.001 0.000 0.270 181 S C -2.735 171.446 174.600 -0.699 0.000 1.225 181 S CA -1.257 56.196 58.200 -1.245 0.000 0.991 181 S CB 0.295 62.368 63.200 -1.878 0.000 0.987 181 S HN 0.547 nan 8.310 nan 0.000 0.552 182 P HA 0.026 nan 4.420 nan 0.000 0.263 182 P C 1.117 178.046 177.300 -0.619 0.000 1.175 182 P CA 0.309 63.063 63.100 -0.576 0.000 0.761 182 P CB 0.167 31.315 31.700 -0.921 0.000 0.794 183 T N -0.717 113.654 114.554 -0.306 0.000 3.035 183 T HA -0.114 4.237 4.350 0.001 0.000 0.268 183 T C 1.283 175.922 174.700 -0.102 0.000 1.109 183 T CA 0.452 62.441 62.100 -0.186 0.000 1.119 183 T CB -0.675 68.160 68.868 -0.056 0.000 0.900 183 T HN 0.567 nan 8.240 nan 0.000 0.503 184 W N 1.156 122.408 121.300 -0.080 0.000 2.937 184 W HA 0.308 4.968 4.660 0.001 0.000 0.245 184 W C 0.781 177.307 176.519 0.012 0.000 1.306 184 W CA -0.378 56.946 57.345 -0.034 0.000 1.470 184 W CB -0.844 28.595 29.460 -0.034 0.000 1.132 184 W HN 0.257 nan 8.180 nan 0.000 0.675 185 L N 0.884 121.912 121.223 -0.326 0.000 2.592 185 L HA 0.181 4.522 4.340 0.001 0.000 0.227 185 L C 0.661 177.353 176.870 -0.297 0.000 1.127 185 L CA 0.641 55.347 54.840 -0.223 0.000 0.884 185 L CB -0.336 41.422 42.059 -0.501 0.000 1.065 185 L HN -0.249 nan 8.230 nan 0.000 0.457 186 K N -0.450 119.782 120.400 -0.281 0.000 2.156 186 K HA 0.240 4.561 4.320 0.001 0.000 0.254 186 K C 1.217 177.687 176.600 -0.216 0.000 0.950 186 K CA -0.041 56.067 56.287 -0.298 0.000 0.849 186 K CB 1.844 34.169 32.500 -0.292 0.000 1.100 186 K HN -0.073 nan 8.250 nan 0.000 0.434 187 T N -1.308 113.113 114.554 -0.222 0.000 2.699 187 T HA -0.207 4.144 4.350 0.001 0.000 0.268 187 T C 1.268 175.900 174.700 -0.114 0.000 1.036 187 T CA 1.793 63.793 62.100 -0.167 0.000 1.147 187 T CB -0.292 68.484 68.868 -0.153 0.000 0.862 187 T HN 0.690 nan 8.240 nan 0.000 0.446 188 N N 1.509 120.143 118.700 -0.111 0.000 2.280 188 N HA 0.192 4.933 4.740 0.001 0.000 0.192 188 N C 1.477 176.955 175.510 -0.053 0.000 1.109 188 N CA 0.542 53.548 53.050 -0.072 0.000 0.855 188 N CB -0.651 37.797 38.487 -0.066 0.000 0.974 188 N HN 0.694 nan 8.380 nan 0.000 0.482 189 G N -0.493 108.270 108.800 -0.061 0.000 2.283 189 G HA2 -0.059 3.902 3.960 0.001 0.000 0.280 189 G HA3 -0.059 3.902 3.960 0.001 0.000 0.280 189 G C 0.053 174.938 174.900 -0.025 0.000 1.029 189 G CA 0.609 45.693 45.100 -0.028 0.000 0.840 189 G HN 0.907 nan 8.290 nan 0.000 0.505 190 A N -1.736 121.056 122.820 -0.048 0.000 2.556 190 A HA 0.875 5.196 4.320 0.001 0.000 0.294 190 A C 1.180 178.737 177.584 -0.045 0.000 1.091 190 A CA 0.280 52.300 52.037 -0.028 0.000 0.704 190 A CB 1.159 20.156 19.000 -0.004 0.000 1.300 190 A HN 1.479 nan 8.150 nan 0.000 0.406 191 V N -0.992 118.910 119.914 -0.020 0.000 2.871 191 V HA 0.088 4.209 4.120 0.001 0.000 0.256 191 V C 0.617 176.748 176.094 0.062 0.000 1.082 191 V CA 1.742 64.031 62.300 -0.017 0.000 1.105 191 V CB -1.589 30.218 31.823 -0.027 0.000 0.713 191 V HN 0.945 nan 8.190 nan 0.000 0.473 192 N N 0.071 118.831 118.700 0.101 0.000 3.455 192 N HA 0.626 5.367 4.740 0.001 0.000 0.358 192 N C 0.556 176.122 175.510 0.093 0.000 1.580 192 N CA 0.198 53.345 53.050 0.161 0.000 0.692 192 N CB 0.446 39.076 38.487 0.238 0.000 1.978 192 N HN 0.864 nan 8.380 nan 0.000 0.651 193 G N -0.048 108.818 108.800 0.110 0.000 2.806 193 G HA2 -0.258 3.703 3.960 0.001 0.000 0.236 193 G HA3 -0.258 3.703 3.960 0.001 0.000 0.236 193 G C -0.755 174.165 174.900 0.034 0.000 1.387 193 G CA 0.124 45.263 45.100 0.065 0.000 0.884 193 G HN 0.891 nan 8.290 nan 0.000 0.560 194 K N 0.648 121.050 120.400 0.002 0.000 2.363 194 K HA 0.536 4.856 4.320 0.001 0.000 0.289 194 K C 0.595 177.156 176.600 -0.065 0.000 1.063 194 K CA 0.737 57.004 56.287 -0.034 0.000 0.967 194 K CB -0.293 32.189 32.500 -0.029 0.000 0.987 194 K HN 1.607 nan 8.250 nan 0.000 0.473 195 G N 1.628 110.366 108.800 -0.103 0.000 2.596 195 G HA2 0.349 4.310 3.960 0.001 0.000 0.296 195 G HA3 0.349 4.310 3.960 0.001 0.000 0.296 195 G C -1.451 173.314 174.900 -0.224 0.000 1.513 195 G CA -0.681 44.331 45.100 -0.146 0.000 0.851 195 G HN 0.517 nan 8.290 nan 0.000 0.548 196 S N -0.752 114.787 115.700 -0.267 0.000 2.851 196 S HA 0.708 5.179 4.470 0.001 0.000 0.317 196 S C -0.070 174.276 174.600 -0.423 0.000 1.144 196 S CA -0.832 57.129 58.200 -0.398 0.000 0.862 196 S CB 1.104 64.136 63.200 -0.279 0.000 1.259 196 S HN 0.650 nan 8.310 nan 0.000 0.564 197 L N 1.495 122.403 121.223 -0.525 0.000 2.467 197 L HA 0.268 4.609 4.340 0.001 0.000 0.270 197 L C 0.362 177.058 176.870 -0.289 0.000 1.205 197 L CA -0.043 54.495 54.840 -0.503 0.000 0.828 197 L CB 0.195 41.790 42.059 -0.774 0.000 1.101 197 L HN 0.489 nan 8.230 nan 0.000 0.479 198 K N 1.240 121.422 120.400 -0.364 0.000 2.202 198 K HA 0.448 4.769 4.320 0.001 0.000 0.264 198 K C 0.614 177.098 176.600 -0.192 0.000 1.010 198 K CA 0.479 56.497 56.287 -0.449 0.000 0.940 198 K CB 0.840 32.731 32.500 -1.015 0.000 0.983 198 K HN 0.811 nan 8.250 nan 0.000 0.475 199 G N 0.942 109.676 108.800 -0.110 0.000 2.512 199 G HA2 -0.219 3.742 3.960 0.001 0.000 0.254 199 G HA3 -0.219 3.742 3.960 0.001 0.000 0.254 199 G C -1.010 173.923 174.900 0.056 0.000 1.199 199 G CA -0.517 44.626 45.100 0.071 0.000 0.941 199 G HN 0.475 nan 8.290 nan 0.000 0.569 200 Q N 0.071 119.847 119.800 -0.040 0.000 2.418 200 Q HA 0.514 4.855 4.340 0.001 0.000 0.282 200 Q C -2.687 172.906 176.000 -0.678 0.000 1.044 200 Q CA -1.470 54.134 55.803 -0.332 0.000 0.813 200 Q CB 2.174 30.809 28.738 -0.171 0.000 1.428 200 Q HN 0.371 nan 8.270 nan 0.000 0.402 201 P HA -0.033 nan 4.420 nan 0.000 0.263 201 P C 0.696 177.926 177.300 -0.118 0.000 1.168 201 P CA 1.907 64.774 63.100 -0.388 0.000 0.759 201 P CB 0.341 32.018 31.700 -0.039 0.000 0.782 202 G N 1.777 110.606 108.800 0.048 0.000 2.284 202 G HA2 -0.225 3.736 3.960 0.001 0.000 0.230 202 G HA3 -0.225 3.736 3.960 0.001 0.000 0.230 202 G C 0.240 175.196 174.900 0.094 0.000 1.021 202 G CA 0.365 45.505 45.100 0.065 0.000 0.619 202 G HN 0.725 nan 8.290 nan 0.000 0.510 203 D N 1.183 121.650 120.400 0.113 0.000 2.380 203 D HA 0.386 5.027 4.640 0.001 0.000 0.254 203 D C 2.271 178.676 176.300 0.176 0.000 1.288 203 D CA 0.042 54.129 54.000 0.145 0.000 1.008 203 D CB -0.153 40.763 40.800 0.193 0.000 1.099 203 D HN 0.840 nan 8.370 nan 0.000 0.537 204 I N -2.929 117.663 120.570 0.036 0.000 2.394 204 I HA -0.200 3.970 4.170 0.001 0.000 0.251 204 I C 1.831 177.999 176.117 0.084 0.000 1.136 204 I CA 0.800 62.046 61.300 -0.089 0.000 1.425 204 I CB -0.680 37.028 38.000 -0.488 0.000 1.079 204 I HN 0.229 nan 8.210 nan 0.000 0.425 205 Y N 1.137 121.622 120.300 0.309 0.000 2.133 205 Y HA -0.177 4.374 4.550 0.001 0.000 0.287 205 Y C 2.789 178.861 175.900 0.287 0.000 1.134 205 Y CA 2.031 60.346 58.100 0.359 0.000 1.133 205 Y CB -0.915 37.693 38.460 0.246 0.000 0.987 205 Y HN 0.138 nan 8.280 nan 0.000 0.502 206 H N -0.418 118.903 119.070 0.418 0.000 2.321 206 H HA -0.156 4.401 4.556 0.001 0.000 0.300 206 H C 2.151 177.767 175.328 0.480 0.000 1.087 206 H CA 1.767 58.075 56.048 0.433 0.000 1.319 206 H CB -0.173 29.842 29.762 0.422 0.000 1.379 206 H HN 0.234 nan 8.280 nan 0.000 0.501 207 Q N -0.231 119.843 119.800 0.456 0.000 2.124 207 Q HA -0.113 4.228 4.340 0.001 0.000 0.202 207 Q C 2.268 178.467 176.000 0.332 0.000 0.977 207 Q CA 1.674 57.670 55.803 0.322 0.000 0.850 207 Q CB -0.503 28.361 28.738 0.210 0.000 0.901 207 Q HN 0.477 nan 8.270 nan 0.000 0.429 208 T N 0.524 115.309 114.554 0.385 0.000 2.777 208 T HA -0.141 4.210 4.350 0.001 0.000 0.266 208 T C 1.208 176.190 174.700 0.470 0.000 1.040 208 T CA 0.786 63.132 62.100 0.409 0.000 1.141 208 T CB -0.324 68.839 68.868 0.491 0.000 0.868 208 T HN 0.500 nan 8.240 nan 0.000 0.444 209 W N 1.642 123.078 121.300 0.226 0.000 2.355 209 W HA -0.168 4.493 4.660 0.002 0.000 0.309 209 W C 2.551 179.374 176.519 0.507 0.000 1.206 209 W CA 0.916 58.391 57.345 0.216 0.000 1.284 209 W CB -0.240 29.202 29.460 -0.030 0.000 1.145 209 W HN 0.281 nan 8.180 nan 0.000 0.502 210 A N 0.880 123.984 122.820 0.472 0.000 1.908 210 A HA -0.272 4.049 4.320 0.001 0.000 0.218 210 A C 1.950 179.639 177.584 0.175 0.000 1.181 210 A CA 2.039 54.189 52.037 0.189 0.000 0.627 210 A CB -1.090 17.942 19.000 0.054 0.000 0.818 210 A HN 0.423 nan 8.150 nan 0.000 0.445 211 R N -2.159 118.471 120.500 0.217 0.000 2.096 211 R HA -0.176 4.164 4.340 0.001 0.000 0.235 211 R C 1.996 178.394 176.300 0.162 0.000 1.127 211 R CA 1.661 57.855 56.100 0.157 0.000 0.968 211 R CB -0.482 29.915 30.300 0.163 0.000 0.861 211 R HN 0.664 nan 8.270 nan 0.000 0.440 212 Y N 0.038 120.409 120.300 0.119 0.000 2.151 212 Y HA -0.294 4.257 4.550 0.001 0.000 0.284 212 Y C 1.553 177.424 175.900 -0.049 0.000 1.166 212 Y CA 1.923 60.079 58.100 0.093 0.000 1.163 212 Y CB -0.259 38.296 38.460 0.159 0.000 0.974 212 Y HN 0.013 nan 8.280 nan 0.000 0.511 213 F N -0.986 118.926 119.950 -0.062 0.000 2.095 213 F HA -0.278 4.250 4.527 0.001 0.000 0.298 213 F C 2.396 178.123 175.800 -0.123 0.000 1.104 213 F CA 1.748 59.663 58.000 -0.142 0.000 1.232 213 F CB -1.140 37.720 39.000 -0.233 0.000 0.987 213 F HN -0.127 nan 8.300 nan 0.000 0.475 214 V N -0.118 119.850 119.914 0.090 0.000 2.343 214 V HA -0.260 3.860 4.120 0.001 0.000 0.247 214 V C 2.473 178.487 176.094 -0.134 0.000 1.051 214 V CA 1.582 63.895 62.300 0.021 0.000 1.036 214 V CB -0.508 31.347 31.823 0.052 0.000 0.654 214 V HN 0.212 nan 8.190 nan 0.000 0.451 215 K N -0.529 119.674 120.400 -0.328 0.000 2.097 215 K HA -0.171 4.149 4.320 0.001 0.000 0.206 215 K C 2.052 178.116 176.600 -0.894 0.000 1.049 215 K CA 1.652 57.477 56.287 -0.771 0.000 0.933 215 K CB -0.666 31.044 32.500 -1.317 0.000 0.717 215 K HN 0.523 nan 8.250 nan 0.000 0.442 216 F N 1.997 121.494 119.950 -0.756 0.000 2.069 216 F HA -0.206 4.322 4.527 0.001 0.000 0.298 216 F C 2.042 177.682 175.800 -0.267 0.000 1.113 216 F CA 1.391 59.174 58.000 -0.361 0.000 1.214 216 F CB -0.417 38.402 39.000 -0.302 0.000 0.978 216 F HN -0.123 nan 8.300 nan 0.000 0.474 217 L N 0.171 121.194 121.223 -0.333 0.000 2.042 217 L HA -0.261 4.079 4.340 0.001 0.000 0.210 217 L C 2.252 178.858 176.870 -0.439 0.000 1.076 217 L CA 1.540 56.068 54.840 -0.520 0.000 0.749 217 L CB -1.002 40.608 42.059 -0.748 0.000 0.893 217 L HN 0.157 nan 8.230 nan 0.000 0.432 218 D N 0.323 120.591 120.400 -0.221 0.000 2.104 218 D HA -0.202 4.439 4.640 0.001 0.000 0.194 218 D C 2.229 178.497 176.300 -0.054 0.000 0.994 218 D CA 1.679 55.681 54.000 0.003 0.000 0.830 218 D CB -0.168 40.620 40.800 -0.020 0.000 0.959 218 D HN 0.357 nan 8.370 nan 0.000 0.452 219 A N 0.231 122.976 122.820 -0.125 0.000 1.858 219 A HA -0.215 4.106 4.320 0.001 0.000 0.216 219 A C 2.164 179.768 177.584 0.033 0.000 1.190 219 A CA 1.201 53.222 52.037 -0.026 0.000 0.617 219 A CB -1.167 17.851 19.000 0.029 0.000 0.827 219 A HN 0.204 nan 8.150 nan 0.000 0.443 220 Y N -0.007 120.141 120.300 -0.253 0.000 2.224 220 Y HA -0.110 4.441 4.550 0.001 0.000 0.289 220 Y C 2.878 178.781 175.900 0.005 0.000 1.146 220 Y CA 0.770 58.794 58.100 -0.127 0.000 1.182 220 Y CB -0.533 37.811 38.460 -0.194 0.000 0.983 220 Y HN 0.341 nan 8.280 nan 0.000 0.524 221 A N -0.050 122.833 122.820 0.104 0.000 1.969 221 A HA -0.192 4.129 4.320 0.001 0.000 0.218 221 A C 2.008 179.617 177.584 0.042 0.000 1.169 221 A CA 1.635 53.731 52.037 0.098 0.000 0.635 221 A CB -0.570 18.524 19.000 0.157 0.000 0.810 221 A HN 0.526 nan 8.150 nan 0.000 0.445 222 E N -0.712 119.480 120.200 -0.014 0.000 2.265 222 E HA -0.161 4.190 4.350 0.001 0.000 0.196 222 E C 0.819 177.270 176.600 -0.249 0.000 0.996 222 E CA 1.021 57.340 56.400 -0.136 0.000 0.832 222 E CB -0.170 29.414 29.700 -0.193 0.000 0.756 222 E HN 0.726 nan 8.360 nan 0.000 0.491 223 H N 0.043 119.080 119.070 -0.056 0.000 2.505 223 H HA 0.175 4.732 4.556 0.001 0.000 0.289 223 H C -0.022 175.356 175.328 0.084 0.000 1.052 223 H CA 0.102 56.136 56.048 -0.023 0.000 1.156 223 H CB 0.541 30.210 29.762 -0.154 0.000 1.507 223 H HN -0.028 nan 8.280 nan 0.000 0.548 224 K N 0.266 120.741 120.400 0.125 0.000 3.192 224 K HA -0.159 4.162 4.320 0.001 0.000 0.278 224 K C -0.431 176.264 176.600 0.158 0.000 1.164 224 K CA 0.319 56.682 56.287 0.125 0.000 0.816 224 K CB -2.030 30.527 32.500 0.096 0.000 1.256 224 K HN 0.381 nan 8.250 nan 0.000 0.497 225 L N 1.610 122.904 121.223 0.118 0.000 2.341 225 L HA 0.315 4.655 4.340 0.001 0.000 0.278 225 L C 0.353 177.260 176.870 0.062 0.000 1.005 225 L CA -0.803 54.067 54.840 0.051 0.000 0.818 225 L CB 1.720 43.796 42.059 0.028 0.000 1.259 225 L HN -0.029 nan 8.230 nan 0.000 0.418 226 Q N 2.772 122.562 119.800 -0.017 0.000 2.345 226 Q HA 0.549 4.890 4.340 0.001 0.000 0.268 226 Q C -1.165 174.781 176.000 -0.090 0.000 1.054 226 Q CA -0.616 55.215 55.803 0.048 0.000 0.835 226 Q CB 2.617 31.396 28.738 0.070 0.000 1.339 226 Q HN 0.294 nan 8.270 nan 0.000 0.447 227 F N 0.421 120.397 119.950 0.043 0.000 2.422 227 F HA 0.220 4.748 4.527 0.001 0.000 0.333 227 F C 0.969 176.825 175.800 0.092 0.000 1.095 227 F CA -0.700 57.339 58.000 0.065 0.000 1.038 227 F CB 1.026 40.039 39.000 0.020 0.000 1.156 227 F HN 0.746 nan 8.300 nan 0.000 0.483 228 W N 3.558 124.904 121.300 0.076 0.000 2.443 228 W HA 0.444 5.105 4.660 0.001 0.000 0.296 228 W C -0.238 176.284 176.519 0.005 0.000 1.202 228 W CA 1.005 58.353 57.345 0.006 0.000 1.312 228 W CB -0.032 29.402 29.460 -0.044 0.000 1.120 228 W HN 0.447 nan 8.180 nan 0.000 0.536 229 A N 0.158 122.768 122.820 -0.349 0.000 2.610 229 A HA 0.580 4.901 4.320 0.001 0.000 0.291 229 A C -1.345 176.061 177.584 -0.296 0.000 1.086 229 A CA -0.225 51.407 52.037 -0.674 0.000 0.677 229 A CB 0.808 18.819 19.000 -1.648 0.000 1.278 229 A HN 0.591 nan 8.150 nan 0.000 0.414 230 V N -1.192 118.544 119.914 -0.297 0.000 2.914 230 V HA 0.945 5.066 4.120 0.001 0.000 0.314 230 V C -0.052 175.931 176.094 -0.184 0.000 1.084 230 V CA 0.066 62.254 62.300 -0.187 0.000 0.963 230 V CB 1.391 33.169 31.823 -0.074 0.000 1.025 230 V HN 1.708 nan 8.190 nan 0.000 0.432 231 T N 0.613 115.095 114.554 -0.120 0.000 2.928 231 T HA 0.705 5.056 4.350 0.001 0.000 0.284 231 T C 1.143 175.826 174.700 -0.029 0.000 1.008 231 T CA -0.017 62.014 62.100 -0.116 0.000 1.057 231 T CB 1.643 70.435 68.868 -0.127 0.000 1.018 231 T HN 1.657 nan 8.240 nan 0.000 0.493 232 A N 0.840 123.603 122.820 -0.095 0.000 2.121 232 A HA 0.285 4.606 4.320 0.001 0.000 0.218 232 A C 0.813 178.405 177.584 0.014 0.000 1.154 232 A CA 1.224 53.212 52.037 -0.083 0.000 0.679 232 A CB -0.830 18.061 19.000 -0.182 0.000 0.795 232 A HN 1.049 nan 8.150 nan 0.000 0.458 233 E N -1.842 118.324 120.200 -0.057 0.000 3.260 233 E HA 0.092 4.443 4.350 0.001 0.000 0.328 233 E C -1.296 175.152 176.600 -0.253 0.000 1.112 233 E CA -0.284 56.072 56.400 -0.073 0.000 0.898 233 E CB -0.439 29.203 29.700 -0.098 0.000 1.191 233 E HN 0.204 nan 8.360 nan 0.000 0.480 234 N N 3.132 121.586 118.700 -0.410 0.000 2.475 234 N HA 0.161 4.901 4.740 0.001 0.000 0.267 234 N C -0.759 174.410 175.510 -0.568 0.000 1.169 234 N CA 0.677 53.315 53.050 -0.686 0.000 0.947 234 N CB 0.397 37.956 38.487 -1.546 0.000 1.061 234 N HN 0.588 nan 8.380 nan 0.000 0.466 235 E N 1.715 121.570 120.200 -0.574 0.000 2.197 235 E HA -0.193 4.157 4.350 0.001 0.000 0.184 235 E C -1.676 174.703 176.600 -0.369 0.000 1.439 235 E CA 0.034 56.124 56.400 -0.518 0.000 0.688 235 E CB -0.484 28.958 29.700 -0.429 0.000 1.090 235 E HN 0.685 nan 8.360 nan 0.000 0.341 236 P HA -0.259 nan 4.420 nan 0.000 0.218 236 P C 1.459 178.738 177.300 -0.034 0.000 1.148 236 P CA 1.889 64.969 63.100 -0.032 0.000 0.822 236 P CB 0.030 31.800 31.700 0.118 0.000 0.784 237 S N -0.350 115.253 115.700 -0.161 0.000 2.474 237 S HA -0.003 4.468 4.470 0.001 0.000 0.235 237 S C 2.125 176.598 174.600 -0.213 0.000 0.997 237 S CA 0.861 59.008 58.200 -0.088 0.000 0.949 237 S CB -1.135 61.998 63.200 -0.111 0.000 0.766 237 S HN 0.141 nan 8.310 nan 0.000 0.517 238 A N 1.706 124.288 122.820 -0.396 0.000 1.969 238 A HA 0.282 4.603 4.320 0.001 0.000 0.218 238 A C 2.218 179.437 177.584 -0.609 0.000 1.169 238 A CA 1.164 52.730 52.037 -0.784 0.000 0.635 238 A CB -1.436 16.776 19.000 -1.312 0.000 0.810 238 A HN 0.673 nan 8.150 nan 0.000 0.445 239 G N -0.900 107.701 108.800 -0.331 0.000 2.956 239 G HA2 0.248 4.209 3.960 0.001 0.000 0.207 239 G HA3 0.248 4.209 3.960 0.001 0.000 0.207 239 G C 0.974 175.797 174.900 -0.128 0.000 1.162 239 G CA 0.329 45.314 45.100 -0.191 0.000 0.796 239 G HN 0.439 nan 8.290 nan 0.000 0.527 240 L N -0.328 120.827 121.223 -0.113 0.000 2.693 240 L HA 0.396 4.736 4.340 0.001 0.000 0.235 240 L C 0.317 177.158 176.870 -0.048 0.000 1.127 240 L CA -0.041 54.764 54.840 -0.059 0.000 0.914 240 L CB 0.304 42.353 42.059 -0.017 0.000 1.193 240 L HN 0.045 nan 8.230 nan 0.000 0.502 241 L N 1.358 122.545 121.223 -0.061 0.000 2.262 241 L HA 0.256 4.597 4.340 0.001 0.000 0.288 241 L C 0.554 177.439 176.870 0.024 0.000 1.035 241 L CA -0.494 54.340 54.840 -0.011 0.000 0.820 241 L CB 1.314 43.380 42.059 0.011 0.000 1.204 241 L HN 0.153 nan 8.230 nan 0.000 0.424 242 S N 1.670 117.374 115.700 0.006 0.000 2.593 242 S HA 0.137 4.608 4.470 0.001 0.000 0.300 242 S C 1.329 175.936 174.600 0.012 0.000 1.267 242 S CA 0.038 58.240 58.200 0.004 0.000 1.065 242 S CB 0.663 63.859 63.200 -0.007 0.000 0.807 242 S HN 1.056 nan 8.310 nan 0.000 0.499 243 G N 1.216 110.022 108.800 0.011 0.000 2.155 243 G HA2 -0.340 3.621 3.960 0.001 0.000 0.257 243 G HA3 -0.340 3.621 3.960 0.001 0.000 0.257 243 G C -0.102 174.786 174.900 -0.021 0.000 0.983 243 G CA 0.363 45.459 45.100 -0.008 0.000 0.676 243 G HN 1.135 nan 8.290 nan 0.000 0.528 244 Y N 2.047 122.285 120.300 -0.104 0.000 2.805 244 Y HA 0.242 4.793 4.550 0.001 0.000 0.331 244 Y C -0.142 175.661 175.900 -0.161 0.000 1.241 244 Y CA -0.365 57.637 58.100 -0.163 0.000 1.546 244 Y CB 0.954 39.333 38.460 -0.136 0.000 1.248 244 Y HN 0.106 nan 8.280 nan 0.000 0.559 245 P HA -0.074 nan 4.420 nan 0.000 0.224 245 P C -0.315 176.822 177.300 -0.272 0.000 1.157 245 P CA 0.988 63.782 63.100 -0.509 0.000 0.799 245 P CB 0.216 31.499 31.700 -0.694 0.000 0.809 246 F N 0.015 119.725 119.950 -0.399 0.000 2.378 246 F HA 0.334 4.862 4.527 0.001 0.000 0.325 246 F C 1.018 177.001 175.800 0.306 0.000 1.097 246 F CA -1.703 56.273 58.000 -0.040 0.000 1.079 246 F CB 0.358 39.419 39.000 0.102 0.000 1.240 246 F HN -0.325 nan 8.300 nan 0.000 0.519 247 Q N 1.224 121.388 119.800 0.608 0.000 2.304 247 Q HA 0.163 4.504 4.340 0.001 0.000 0.315 247 Q C -0.486 175.815 176.000 0.502 0.000 1.075 247 Q CA 0.374 56.452 55.803 0.459 0.000 0.988 247 Q CB 0.328 29.273 28.738 0.345 0.000 1.146 247 Q HN 0.688 nan 8.270 nan 0.000 0.383 248 C N 0.461 119.924 119.300 0.271 0.000 3.306 248 C HA 0.861 5.322 4.460 0.001 0.000 0.335 248 C C -1.797 173.175 174.990 -0.029 0.000 1.382 248 C CA -1.243 57.850 59.018 0.125 0.000 1.254 248 C CB 0.784 28.576 27.740 0.087 0.000 1.555 248 C HN 0.796 nan 8.230 nan 0.000 0.463 249 L N 1.905 123.074 121.223 -0.089 0.000 2.596 249 L HA 0.715 5.056 4.340 0.001 0.000 0.265 249 L C 0.189 176.959 176.870 -0.167 0.000 0.962 249 L CA 0.427 55.148 54.840 -0.199 0.000 0.891 249 L CB 1.251 43.165 42.059 -0.242 0.000 1.248 249 L HN 1.405 nan 8.230 nan 0.000 0.410 250 G N 3.345 111.989 108.800 -0.260 0.000 2.406 250 G HA2 0.478 4.439 3.960 0.001 0.000 0.251 250 G HA3 0.478 4.439 3.960 0.001 0.000 0.251 250 G C -1.160 173.551 174.900 -0.315 0.000 1.271 250 G CA 0.019 45.014 45.100 -0.175 0.000 0.859 250 G HN 0.385 nan 8.290 nan 0.000 0.540 251 F N 0.310 120.251 119.950 -0.016 0.000 2.561 251 F HA 0.377 4.905 4.527 0.002 0.000 0.313 251 F C 0.873 176.759 175.800 0.145 0.000 1.126 251 F CA -0.795 57.212 58.000 0.012 0.000 0.918 251 F CB 2.212 41.196 39.000 -0.026 0.000 1.199 251 F HN 0.652 nan 8.300 nan 0.000 0.444 252 T N -0.099 114.597 114.554 0.238 0.000 2.788 252 T HA 0.232 4.583 4.350 0.001 0.000 0.287 252 T C -1.868 172.647 174.700 -0.308 0.000 1.007 252 T CA -1.563 60.561 62.100 0.041 0.000 1.005 252 T CB 1.135 70.007 68.868 0.006 0.000 1.012 252 T HN 0.327 nan 8.240 nan 0.000 0.530 253 P HA -0.100 nan 4.420 nan 0.000 0.216 253 P C 1.060 178.047 177.300 -0.522 0.000 1.150 253 P CA 1.211 63.489 63.100 -1.369 0.000 0.837 253 P CB 0.075 30.836 31.700 -1.565 0.000 0.786 254 E N -1.355 118.681 120.200 -0.273 0.000 2.106 254 E HA -0.188 4.163 4.350 0.001 0.000 0.192 254 E C 2.228 178.862 176.600 0.057 0.000 0.984 254 E CA 0.987 57.327 56.400 -0.100 0.000 0.806 254 E CB -1.171 28.489 29.700 -0.066 0.000 0.750 254 E HN 0.518 nan 8.360 nan 0.000 0.458 255 H N -0.055 119.018 119.070 0.006 0.000 2.357 255 H HA -0.107 4.450 4.556 0.001 0.000 0.301 255 H C 2.228 177.751 175.328 0.326 0.000 1.082 255 H CA 1.315 57.468 56.048 0.175 0.000 1.342 255 H CB 0.308 30.182 29.762 0.187 0.000 1.389 255 H HN 0.164 nan 8.280 nan 0.000 0.511 256 Q N 0.895 120.850 119.800 0.259 0.000 2.061 256 Q HA -0.216 4.124 4.340 0.001 0.000 0.204 256 Q C 2.592 178.635 176.000 0.071 0.000 0.984 256 Q CA 1.714 57.567 55.803 0.082 0.000 0.846 256 Q CB -0.114 28.632 28.738 0.015 0.000 0.902 256 Q HN 0.358 nan 8.270 nan 0.000 0.421 257 R N 0.056 120.557 120.500 0.002 0.000 2.112 257 R HA -0.225 4.115 4.340 0.001 0.000 0.242 257 R C 1.380 177.702 176.300 0.037 0.000 1.137 257 R CA 2.242 58.330 56.100 -0.020 0.000 0.944 257 R CB -0.348 29.911 30.300 -0.069 0.000 0.857 257 R HN 0.416 nan 8.270 nan 0.000 0.435 258 D N -0.361 120.107 120.400 0.113 0.000 2.149 258 D HA -0.140 4.500 4.640 0.001 0.000 0.201 258 D C 1.639 178.059 176.300 0.201 0.000 0.972 258 D CA 0.865 54.944 54.000 0.132 0.000 0.835 258 D CB -0.412 40.465 40.800 0.127 0.000 0.966 258 D HN 0.217 nan 8.370 nan 0.000 0.476 259 F N 1.851 121.919 119.950 0.197 0.000 2.126 259 F HA -0.142 4.386 4.527 0.002 0.000 0.299 259 F C 2.093 177.902 175.800 0.016 0.000 1.096 259 F CA 1.023 59.152 58.000 0.215 0.000 1.255 259 F CB -0.462 38.741 39.000 0.338 0.000 0.997 259 F HN -0.146 nan 8.300 nan 0.000 0.479 260 I N 0.177 120.589 120.570 -0.263 0.000 2.142 260 I HA -0.295 3.876 4.170 0.001 0.000 0.240 260 I C 2.731 178.664 176.117 -0.306 0.000 1.078 260 I CA 1.274 62.318 61.300 -0.427 0.000 1.343 260 I CB -1.026 36.834 38.000 -0.232 0.000 1.046 260 I HN 0.232 nan 8.210 nan 0.000 0.405 261 A N 0.697 123.464 122.820 -0.088 0.000 1.865 261 A HA -0.184 4.137 4.320 0.001 0.000 0.217 261 A C 2.377 179.943 177.584 -0.031 0.000 1.191 261 A CA 1.538 53.594 52.037 0.031 0.000 0.623 261 A CB -0.393 18.633 19.000 0.043 0.000 0.826 261 A HN 0.250 nan 8.150 nan 0.000 0.444 262 R N -0.600 119.869 120.500 -0.051 0.000 2.100 262 R HA 0.053 4.394 4.340 0.001 0.000 0.220 262 R C 0.796 177.050 176.300 -0.076 0.000 1.091 262 R CA 1.432 57.516 56.100 -0.027 0.000 0.986 262 R CB -0.350 29.967 30.300 0.029 0.000 0.888 262 R HN 0.652 nan 8.270 nan 0.000 0.444 263 D N -0.720 119.573 120.400 -0.177 0.000 3.208 263 D HA -0.026 4.615 4.640 0.001 0.000 0.281 263 D C 1.788 177.801 176.300 -0.480 0.000 1.328 263 D CA -0.190 53.691 54.000 -0.198 0.000 1.102 263 D CB -0.306 40.565 40.800 0.117 0.000 1.267 263 D HN -0.086 nan 8.370 nan 0.000 0.405 264 L N 2.243 122.894 121.223 -0.952 0.000 2.017 264 L HA 0.038 4.379 4.340 0.001 0.000 0.208 264 L C 2.243 178.634 176.870 -0.798 0.000 1.073 264 L CA 2.290 56.525 54.840 -1.009 0.000 0.745 264 L CB -1.086 40.097 42.059 -1.460 0.000 0.894 264 L HN 0.115 nan 8.230 nan 0.000 0.432 265 G N -0.271 107.961 108.800 -0.947 0.000 2.545 265 G HA2 -0.233 3.728 3.960 0.001 0.000 0.217 265 G HA3 -0.233 3.728 3.960 0.001 0.000 0.217 265 G C -0.652 173.502 174.900 -1.244 0.000 1.218 265 G CA 1.006 45.208 45.100 -1.497 0.000 0.787 265 G HN 0.386 nan 8.290 nan 0.000 0.571 266 P HA -0.028 nan 4.420 nan 0.000 0.216 266 P C 1.986 179.144 177.300 -0.237 0.000 1.150 266 P CA 1.762 64.642 63.100 -0.366 0.000 0.837 266 P CB -0.277 31.307 31.700 -0.193 0.000 0.786 267 T N -0.178 114.217 114.554 -0.265 0.000 2.737 267 T HA -0.079 4.272 4.350 0.001 0.000 0.265 267 T C 1.822 176.441 174.700 -0.136 0.000 1.038 267 T CA 1.034 63.038 62.100 -0.160 0.000 1.144 267 T CB -0.972 67.808 68.868 -0.146 0.000 0.866 267 T HN 0.052 nan 8.240 nan 0.000 0.434 268 L N 0.770 121.869 121.223 -0.208 0.000 2.046 268 L HA -0.092 4.249 4.340 0.001 0.000 0.208 268 L C 3.028 179.879 176.870 -0.031 0.000 1.077 268 L CA 1.205 55.974 54.840 -0.119 0.000 0.747 268 L CB -0.620 41.330 42.059 -0.181 0.000 0.896 268 L HN 0.260 nan 8.230 nan 0.000 0.432 269 A N -0.140 122.649 122.820 -0.051 0.000 1.933 269 A HA -0.244 4.077 4.320 0.001 0.000 0.218 269 A C 2.018 179.613 177.584 0.018 0.000 1.175 269 A CA 2.042 54.102 52.037 0.038 0.000 0.628 269 A CB -0.617 18.434 19.000 0.086 0.000 0.814 269 A HN 0.438 nan 8.150 nan 0.000 0.444 270 N N -0.022 118.668 118.700 -0.016 0.000 2.515 270 N HA -0.033 4.707 4.740 0.001 0.000 0.185 270 N C 0.780 176.286 175.510 -0.006 0.000 1.109 270 N CA 0.839 53.877 53.050 -0.019 0.000 0.903 270 N CB -0.242 38.229 38.487 -0.026 0.000 0.969 270 N HN 0.571 nan 8.380 nan 0.000 0.450 271 S N -2.090 113.621 115.700 0.018 0.000 2.730 271 S HA 0.181 4.652 4.470 0.001 0.000 0.284 271 S C 1.429 176.038 174.600 0.015 0.000 1.153 271 S CA -0.060 58.142 58.200 0.004 0.000 0.995 271 S CB 0.856 64.074 63.200 0.030 0.000 1.058 271 S HN 0.259 nan 8.310 nan 0.000 0.552 272 T N -1.901 112.563 114.554 -0.149 0.000 3.113 272 T HA -0.015 4.336 4.350 0.001 0.000 0.263 272 T C 0.620 175.100 174.700 -0.367 0.000 1.143 272 T CA 0.716 62.691 62.100 -0.209 0.000 1.090 272 T CB -0.718 67.955 68.868 -0.325 0.000 0.922 272 T HN 0.748 nan 8.240 nan 0.000 0.521 273 H N 1.117 120.174 119.070 -0.021 0.000 2.605 273 H HA 0.197 4.754 4.556 0.001 0.000 0.308 273 H C 1.402 176.653 175.328 -0.128 0.000 1.080 273 H CA 0.314 56.307 56.048 -0.091 0.000 1.119 273 H CB -0.473 29.268 29.762 -0.035 0.000 1.479 273 H HN 0.839 nan 8.280 nan 0.000 0.537 274 H N -0.887 118.196 119.070 0.021 0.000 2.491 274 H HA -0.030 4.527 4.556 0.001 0.000 0.290 274 H C 1.308 176.636 175.328 -0.000 0.000 1.050 274 H CA 0.901 56.949 56.048 0.001 0.000 1.309 274 H CB 0.093 29.847 29.762 -0.013 0.000 1.392 274 H HN 0.053 nan 8.280 nan 0.000 0.554 275 N N 0.992 119.475 118.700 -0.361 0.000 2.459 275 N HA -0.028 4.712 4.740 0.001 0.000 0.181 275 N C -0.014 175.435 175.510 -0.102 0.000 1.046 275 N CA 0.437 53.387 53.050 -0.166 0.000 0.904 275 N CB 0.081 38.451 38.487 -0.195 0.000 0.964 275 N HN 0.197 nan 8.380 nan 0.000 0.444 276 V N 3.447 123.313 119.914 -0.080 0.000 2.599 276 V HA -0.037 4.083 4.120 0.001 0.000 0.300 276 V C 0.925 176.908 176.094 -0.187 0.000 1.034 276 V CA -0.010 62.231 62.300 -0.098 0.000 1.115 276 V CB 0.421 32.223 31.823 -0.036 0.000 0.934 276 V HN 0.144 nan 8.190 nan 0.000 0.485 277 R N 3.467 123.760 120.500 -0.345 0.000 2.560 277 R HA 0.551 4.892 4.340 0.001 0.000 0.270 277 R C -0.602 175.495 176.300 -0.339 0.000 1.074 277 R CA -0.816 55.050 56.100 -0.390 0.000 1.140 277 R CB 0.850 30.757 30.300 -0.654 0.000 1.073 277 R HN 0.501 nan 8.270 nan 0.000 0.527 278 L N 2.056 123.144 121.223 -0.225 0.000 2.349 278 L HA 0.428 4.769 4.340 0.001 0.000 0.278 278 L C -1.209 175.554 176.870 -0.178 0.000 0.996 278 L CA -0.282 54.430 54.840 -0.213 0.000 0.825 278 L CB 1.267 43.209 42.059 -0.195 0.000 1.243 278 L HN 0.415 nan 8.230 nan 0.000 0.412 279 L N 5.747 126.842 121.223 -0.214 0.000 2.329 279 L HA 0.598 4.939 4.340 0.001 0.000 0.279 279 L C 0.262 177.040 176.870 -0.153 0.000 1.014 279 L CA -0.739 53.994 54.840 -0.178 0.000 0.814 279 L CB 1.722 43.652 42.059 -0.214 0.000 1.257 279 L HN 0.755 nan 8.230 nan 0.000 0.424 280 M N 1.757 121.282 119.600 -0.126 0.000 2.527 280 M HA 0.529 5.010 4.480 0.001 0.000 0.283 280 M C 0.676 176.899 176.300 -0.128 0.000 1.188 280 M CA -0.358 54.878 55.300 -0.107 0.000 0.941 280 M CB 1.512 34.074 32.600 -0.064 0.000 1.498 280 M HN 0.528 nan 8.290 nan 0.000 0.510 281 L N 0.196 121.334 121.223 -0.142 0.000 3.782 281 L HA -0.360 3.981 4.340 0.001 0.000 0.053 281 L C 0.314 176.924 176.870 -0.434 0.000 4.256 281 L CA 2.941 57.569 54.840 -0.354 0.000 0.725 281 L CB -1.758 40.108 42.059 -0.322 0.000 3.466 281 L HN 1.177 nan 8.230 nan 0.000 0.901 282 D N 0.517 120.718 120.400 -0.333 0.000 2.697 282 D HA -0.096 4.544 4.640 0.001 0.000 0.238 282 D C -0.389 175.438 176.300 -0.788 0.000 1.152 282 D CA 1.424 55.210 54.000 -0.357 0.000 0.666 282 D CB -0.820 39.813 40.800 -0.278 0.000 1.037 282 D HN 0.743 nan 8.370 nan 0.000 0.423 283 D N -0.934 119.017 120.400 -0.748 0.000 2.768 283 D HA 0.164 4.805 4.640 0.001 0.000 0.327 283 D C -0.451 175.570 176.300 -0.465 0.000 1.302 283 D CA -0.430 53.079 54.000 -0.819 0.000 0.897 283 D CB 0.640 40.987 40.800 -0.756 0.000 1.420 283 D HN -0.111 nan 8.370 nan 0.000 0.494 284 Q N 0.674 120.274 119.800 -0.332 0.000 2.395 284 Q HA 0.079 4.420 4.340 0.001 0.000 0.271 284 Q C 1.115 177.032 176.000 -0.139 0.000 1.026 284 Q CA 0.317 56.037 55.803 -0.138 0.000 0.900 284 Q CB 0.466 29.141 28.738 -0.105 0.000 1.266 284 Q HN 0.503 nan 8.270 nan 0.000 0.430 285 R N 2.082 122.546 120.500 -0.059 0.000 2.280 285 R HA -0.053 4.288 4.340 0.001 0.000 0.207 285 R C 1.639 177.904 176.300 -0.059 0.000 1.043 285 R CA 0.636 56.703 56.100 -0.054 0.000 1.006 285 R CB -0.499 29.791 30.300 -0.017 0.000 0.885 285 R HN 0.595 nan 8.270 nan 0.000 0.467 286 L N -0.277 120.901 121.223 -0.076 0.000 2.353 286 L HA -0.014 4.327 4.340 0.001 0.000 0.220 286 L C 1.339 178.198 176.870 -0.019 0.000 1.133 286 L CA 1.504 56.308 54.840 -0.059 0.000 0.798 286 L CB -0.622 41.386 42.059 -0.086 0.000 0.922 286 L HN 0.247 nan 8.230 nan 0.000 0.445 287 L N 0.181 121.377 121.223 -0.044 0.000 2.599 287 L HA 0.195 4.536 4.340 0.001 0.000 0.230 287 L C 0.838 177.803 176.870 0.159 0.000 1.141 287 L CA 0.038 54.898 54.840 0.033 0.000 0.877 287 L CB -0.013 41.882 42.059 -0.274 0.000 1.009 287 L HN 0.214 nan 8.230 nan 0.000 0.447 288 L N 0.521 121.793 121.223 0.083 0.000 2.334 288 L HA 0.309 4.650 4.340 0.001 0.000 0.272 288 L C -1.308 175.633 176.870 0.118 0.000 1.020 288 L CA -1.559 53.351 54.840 0.116 0.000 0.812 288 L CB 1.485 43.580 42.059 0.060 0.000 1.264 288 L HN -0.216 nan 8.230 nan 0.000 0.439 289 P HA -0.091 nan 4.420 nan 0.000 0.241 289 P C 0.988 178.409 177.300 0.202 0.000 1.191 289 P CA 0.727 63.934 63.100 0.179 0.000 0.771 289 P CB 0.117 31.927 31.700 0.183 0.000 0.929 290 H N -0.567 118.590 119.070 0.145 0.000 2.319 290 H HA -0.177 4.380 4.556 0.001 0.000 0.297 290 H C 1.611 177.011 175.328 0.120 0.000 1.097 290 H CA 2.199 58.321 56.048 0.122 0.000 1.285 290 H CB -0.828 29.000 29.762 0.109 0.000 1.368 290 H HN 0.035 nan 8.280 nan 0.000 0.495 291 W N 0.424 121.670 121.300 -0.091 0.000 2.363 291 W HA -0.058 4.602 4.660 0.001 0.000 0.296 291 W C 2.879 179.261 176.519 -0.228 0.000 1.212 291 W CA 2.128 59.375 57.345 -0.164 0.000 1.260 291 W CB -0.714 28.699 29.460 -0.078 0.000 1.131 291 W HN 0.379 nan 8.180 nan 0.000 0.530 292 A N 0.157 122.997 122.820 0.034 0.000 1.898 292 A HA -0.206 4.114 4.320 0.001 0.000 0.216 292 A C 1.948 179.285 177.584 -0.412 0.000 1.181 292 A CA 1.850 53.755 52.037 -0.221 0.000 0.620 292 A CB -0.649 18.246 19.000 -0.175 0.000 0.819 292 A HN 0.284 nan 8.150 nan 0.000 0.442 293 K N -0.336 119.996 120.400 -0.114 0.000 2.032 293 K HA -0.121 4.199 4.320 0.001 0.000 0.209 293 K C 1.899 178.410 176.600 -0.148 0.000 1.048 293 K CA 1.582 57.887 56.287 0.030 0.000 0.927 293 K CB -0.537 32.020 32.500 0.095 0.000 0.712 293 K HN 0.308 nan 8.250 nan 0.000 0.441 294 V N 1.147 120.873 119.914 -0.313 0.000 2.295 294 V HA -0.223 3.898 4.120 0.001 0.000 0.246 294 V C 2.320 178.276 176.094 -0.231 0.000 1.049 294 V CA 1.627 63.738 62.300 -0.315 0.000 1.024 294 V CB -0.317 31.215 31.823 -0.485 0.000 0.648 294 V HN 0.097 nan 8.190 nan 0.000 0.447 295 V N -0.583 119.182 119.914 -0.248 0.000 2.407 295 V HA -0.118 4.003 4.120 0.001 0.000 0.245 295 V C 2.090 178.062 176.094 -0.204 0.000 1.041 295 V CA 1.593 63.776 62.300 -0.195 0.000 1.040 295 V CB -0.405 31.324 31.823 -0.156 0.000 0.671 295 V HN 0.424 nan 8.190 nan 0.000 0.455 296 L N 0.608 121.632 121.223 -0.332 0.000 2.509 296 L HA -0.002 4.338 4.340 0.001 0.000 0.222 296 L C 2.233 179.027 176.870 -0.126 0.000 1.123 296 L CA 1.232 55.849 54.840 -0.371 0.000 0.856 296 L CB -0.538 40.980 42.059 -0.902 0.000 0.985 296 L HN 0.519 nan 8.230 nan 0.000 0.456 297 T N -4.586 109.941 114.554 -0.045 0.000 3.219 297 T HA -0.003 4.348 4.350 0.001 0.000 0.249 297 T C 0.309 175.008 174.700 -0.001 0.000 1.099 297 T CA -0.263 61.873 62.100 0.058 0.000 0.988 297 T CB -0.294 68.633 68.868 0.100 0.000 0.999 297 T HN 0.028 nan 8.240 nan 0.000 0.550 298 D N 1.378 121.755 120.400 -0.039 0.000 2.453 298 D HA 0.366 5.007 4.640 0.001 0.000 0.238 298 D C -2.081 174.191 176.300 -0.046 0.000 1.088 298 D CA -2.732 51.245 54.000 -0.040 0.000 0.854 298 D CB 2.115 42.887 40.800 -0.047 0.000 1.076 298 D HN -0.091 nan 8.370 nan 0.000 0.533 299 P HA -0.110 nan 4.420 nan 0.000 0.219 299 P C 0.738 177.981 177.300 -0.095 0.000 1.146 299 P CA 0.945 64.007 63.100 -0.064 0.000 0.808 299 P CB 0.505 32.173 31.700 -0.054 0.000 0.779 300 E N -0.847 119.314 120.200 -0.065 0.000 2.152 300 E HA -0.056 4.295 4.350 0.001 0.000 0.192 300 E C 2.034 178.639 176.600 0.008 0.000 0.983 300 E CA 1.272 57.644 56.400 -0.047 0.000 0.818 300 E CB -0.836 28.863 29.700 -0.002 0.000 0.758 300 E HN 0.165 nan 8.360 nan 0.000 0.467 301 A N 0.516 123.337 122.820 0.002 0.000 1.887 301 A HA 0.208 4.529 4.320 0.001 0.000 0.212 301 A C 2.298 179.875 177.584 -0.011 0.000 1.198 301 A CA 1.116 53.175 52.037 0.037 0.000 0.628 301 A CB -0.678 18.310 19.000 -0.020 0.000 0.847 301 A HN 0.255 nan 8.150 nan 0.000 0.449 302 A N 1.331 124.106 122.820 -0.075 0.000 1.972 302 A HA -0.180 4.141 4.320 0.001 0.000 0.219 302 A C 2.041 179.555 177.584 -0.117 0.000 1.169 302 A CA 1.874 53.853 52.037 -0.095 0.000 0.635 302 A CB -0.619 18.327 19.000 -0.090 0.000 0.810 302 A HN 0.691 nan 8.150 nan 0.000 0.446 303 K N -1.572 118.704 120.400 -0.207 0.000 2.281 303 K HA -0.163 4.158 4.320 0.001 0.000 0.203 303 K C 1.163 177.567 176.600 -0.327 0.000 1.046 303 K CA 1.728 57.827 56.287 -0.315 0.000 0.938 303 K CB -0.453 31.758 32.500 -0.482 0.000 0.737 303 K HN 0.623 nan 8.250 nan 0.000 0.458 304 Y N 0.993 121.241 120.300 -0.087 0.000 2.449 304 Y HA 0.173 4.723 4.550 0.001 0.000 0.254 304 Y C 0.411 176.244 175.900 -0.110 0.000 1.140 304 Y CA -0.787 57.249 58.100 -0.107 0.000 1.272 304 Y CB 1.160 39.530 38.460 -0.150 0.000 1.114 304 Y HN -0.210 nan 8.280 nan 0.000 0.525 305 V N 0.721 120.651 119.914 0.026 0.000 2.350 305 V HA 0.034 4.155 4.120 0.001 0.000 0.276 305 V C 0.558 176.651 176.094 -0.002 0.000 1.028 305 V CA -0.335 61.950 62.300 -0.023 0.000 0.860 305 V CB 1.003 32.782 31.823 -0.073 0.000 0.990 305 V HN 0.302 nan 8.190 nan 0.000 0.453 306 H N 4.007 123.019 119.070 -0.096 0.000 2.448 306 H HA 0.395 4.952 4.556 0.001 0.000 0.292 306 H C 0.792 176.085 175.328 -0.059 0.000 1.035 306 H CA 1.105 57.106 56.048 -0.078 0.000 1.349 306 H CB 0.603 30.297 29.762 -0.113 0.000 1.425 306 H HN 0.749 nan 8.280 nan 0.000 0.539 307 G N -0.853 107.837 108.800 -0.183 0.000 2.606 307 G HA2 0.450 4.411 3.960 0.001 0.000 0.300 307 G HA3 0.450 4.411 3.960 0.001 0.000 0.300 307 G C -1.638 173.196 174.900 -0.111 0.000 1.360 307 G CA -0.697 44.290 45.100 -0.189 0.000 0.783 307 G HN 0.125 nan 8.290 nan 0.000 0.484 308 I N 1.071 121.600 120.570 -0.067 0.000 2.418 308 I HA 0.576 4.747 4.170 0.001 0.000 0.287 308 I C 0.434 176.543 176.117 -0.014 0.000 1.008 308 I CA -0.725 60.541 61.300 -0.055 0.000 1.104 308 I CB 2.017 39.990 38.000 -0.044 0.000 1.264 308 I HN 0.639 nan 8.210 nan 0.000 0.438 309 A N 6.682 129.483 122.820 -0.033 0.000 2.301 309 A HA 0.771 5.091 4.320 0.001 0.000 0.298 309 A C -0.284 177.283 177.584 -0.029 0.000 1.185 309 A CA -0.469 51.585 52.037 0.029 0.000 0.830 309 A CB 0.904 19.921 19.000 0.028 0.000 1.112 309 A HN 0.618 nan 8.150 nan 0.000 0.508 310 V N 0.749 120.667 119.914 0.006 0.000 2.919 310 V HA 0.648 4.769 4.120 0.001 0.000 0.316 310 V C -0.407 175.767 176.094 0.133 0.000 1.077 310 V CA -0.765 61.542 62.300 0.012 0.000 0.977 310 V CB 1.395 33.230 31.823 0.019 0.000 1.039 310 V HN 0.913 nan 8.190 nan 0.000 0.441 311 H N 1.904 120.916 119.070 -0.096 0.000 2.529 311 H HA 0.334 4.890 4.556 0.001 0.000 0.348 311 H C -0.661 174.747 175.328 0.133 0.000 1.152 311 H CA -0.549 55.453 56.048 -0.076 0.000 1.202 311 H CB 1.972 31.676 29.762 -0.097 0.000 1.562 311 H HN 0.799 nan 8.280 nan 0.000 0.515 312 W N 0.907 122.248 121.300 0.069 0.000 2.640 312 W HA -0.052 4.608 4.660 0.001 0.000 0.268 312 W C 1.838 178.424 176.519 0.112 0.000 1.263 312 W CA -0.142 57.230 57.345 0.044 0.000 1.344 312 W CB -0.896 28.548 29.460 -0.027 0.000 1.093 312 W HN 0.751 nan 8.180 nan 0.000 0.603 313 Y N 0.943 121.411 120.300 0.281 0.000 2.064 313 Y HA -0.312 4.239 4.550 0.001 0.000 0.262 313 Y C 1.824 177.892 175.900 0.279 0.000 1.243 313 Y CA 2.186 60.443 58.100 0.263 0.000 1.096 313 Y CB -0.505 38.098 38.460 0.238 0.000 0.915 313 Y HN -0.262 nan 8.280 nan 0.000 0.505 314 L N 0.337 121.687 121.223 0.212 0.000 2.848 314 L HA 0.046 4.387 4.340 0.001 0.000 0.240 314 L C 0.831 177.517 176.870 -0.306 0.000 1.232 314 L CA -0.164 54.584 54.840 -0.153 0.000 1.031 314 L CB -0.220 41.770 42.059 -0.116 0.000 1.338 314 L HN 0.184 nan 8.230 nan 0.000 0.509 315 D N 1.147 121.516 120.400 -0.050 0.000 2.182 315 D HA -0.226 4.414 4.640 0.001 0.000 0.201 315 D C 1.984 178.231 176.300 -0.089 0.000 0.986 315 D CA 1.411 55.379 54.000 -0.053 0.000 0.847 315 D CB -0.011 40.777 40.800 -0.020 0.000 0.942 315 D HN 0.492 nan 8.370 nan 0.000 0.467 316 F N -0.190 119.748 119.950 -0.021 0.000 2.269 316 F HA -0.026 4.502 4.527 0.001 0.000 0.301 316 F C 1.743 177.543 175.800 0.001 0.000 1.082 316 F CA 0.614 58.607 58.000 -0.012 0.000 1.360 316 F CB -0.901 38.093 39.000 -0.010 0.000 1.041 316 F HN -0.094 nan 8.300 nan 0.000 0.512 317 L N 0.427 121.254 121.223 -0.661 0.000 2.552 317 L HA 0.290 4.631 4.340 0.001 0.000 0.227 317 L C 0.648 177.413 176.870 -0.174 0.000 1.146 317 L CA 0.326 54.929 54.840 -0.396 0.000 0.858 317 L CB -0.661 41.105 42.059 -0.488 0.000 0.969 317 L HN 0.342 nan 8.230 nan 0.000 0.451 318 A N 0.243 122.979 122.820 -0.141 0.000 2.500 318 A HA 0.549 4.870 4.320 0.001 0.000 0.288 318 A C -2.698 174.836 177.584 -0.083 0.000 1.045 318 A CA -0.926 51.057 52.037 -0.091 0.000 0.830 318 A CB 0.828 19.773 19.000 -0.091 0.000 1.337 318 A HN -0.215 nan 8.150 nan 0.000 0.400 319 P HA 0.293 nan 4.420 nan 0.000 0.272 319 P C 1.016 178.211 177.300 -0.175 0.000 1.223 319 P CA 0.430 63.472 63.100 -0.097 0.000 0.784 319 P CB 1.222 32.879 31.700 -0.073 0.000 0.923 320 A N 2.822 125.477 122.820 -0.276 0.000 1.933 320 A HA -0.201 4.120 4.320 0.001 0.000 0.218 320 A C 2.259 179.453 177.584 -0.651 0.000 1.175 320 A CA 1.854 53.614 52.037 -0.462 0.000 0.628 320 A CB -1.104 17.531 19.000 -0.609 0.000 0.814 320 A HN 0.636 nan 8.150 nan 0.000 0.444 321 K N -0.325 119.667 120.400 -0.680 0.000 2.057 321 K HA -0.087 4.233 4.320 0.001 0.000 0.207 321 K C 1.984 178.486 176.600 -0.164 0.000 1.049 321 K CA 1.278 57.284 56.287 -0.468 0.000 0.931 321 K CB -0.293 32.102 32.500 -0.175 0.000 0.714 321 K HN 0.373 nan 8.250 nan 0.000 0.440 322 A N 0.166 122.912 122.820 -0.122 0.000 2.119 322 A HA -0.061 4.259 4.320 0.001 0.000 0.216 322 A C 1.880 179.449 177.584 -0.024 0.000 1.152 322 A CA 1.692 53.702 52.037 -0.045 0.000 0.708 322 A CB -0.356 18.622 19.000 -0.036 0.000 0.805 322 A HN 0.632 nan 8.150 nan 0.000 0.460 323 T N -2.987 111.534 114.554 -0.055 0.000 3.286 323 T HA 0.209 4.560 4.350 0.001 0.000 0.237 323 T C 1.819 176.529 174.700 0.017 0.000 0.969 323 T CA 0.588 62.680 62.100 -0.014 0.000 1.298 323 T CB -0.637 68.209 68.868 -0.038 0.000 1.053 323 T HN 0.117 nan 8.240 nan 0.000 0.402 324 L N 1.368 122.584 121.223 -0.013 0.000 2.027 324 L HA 0.178 4.518 4.340 0.001 0.000 0.206 324 L C 3.144 180.129 176.870 0.192 0.000 1.074 324 L CA 1.591 56.480 54.840 0.081 0.000 0.745 324 L CB -1.088 41.017 42.059 0.076 0.000 0.898 324 L HN 0.559 nan 8.230 nan 0.000 0.433 325 G N -0.230 108.657 108.800 0.145 0.000 2.404 325 G HA2 -0.305 3.656 3.960 0.001 0.000 0.215 325 G HA3 -0.305 3.656 3.960 0.001 0.000 0.215 325 G C 1.481 176.503 174.900 0.203 0.000 1.174 325 G CA 0.874 46.169 45.100 0.325 0.000 0.780 325 G HN 0.326 nan 8.290 nan 0.000 0.537 326 E N 0.273 120.540 120.200 0.112 0.000 2.106 326 E HA -0.052 4.299 4.350 0.001 0.000 0.192 326 E C 2.585 179.237 176.600 0.086 0.000 0.984 326 E CA 1.557 58.005 56.400 0.080 0.000 0.806 326 E CB -0.471 29.262 29.700 0.055 0.000 0.750 326 E HN 0.311 nan 8.360 nan 0.000 0.458 327 T N 0.083 114.716 114.554 0.131 0.000 2.746 327 T HA -0.191 4.160 4.350 0.001 0.000 0.267 327 T C 1.608 176.413 174.700 0.176 0.000 1.039 327 T CA 1.392 63.610 62.100 0.197 0.000 1.142 327 T CB -0.513 68.463 68.868 0.180 0.000 0.866 327 T HN 0.385 nan 8.240 nan 0.000 0.444 328 H N 1.318 120.399 119.070 0.019 0.000 2.319 328 H HA -0.021 4.535 4.556 0.001 0.000 0.299 328 H C 2.654 177.905 175.328 -0.127 0.000 1.092 328 H CA 1.626 57.604 56.048 -0.117 0.000 1.302 328 H CB -0.065 29.417 29.762 -0.467 0.000 1.373 328 H HN 0.218 nan 8.280 nan 0.000 0.497 329 R N 0.236 120.655 120.500 -0.136 0.000 2.091 329 R HA -0.110 4.231 4.340 0.001 0.000 0.238 329 R C 2.659 178.800 176.300 -0.265 0.000 1.136 329 R CA 1.496 57.495 56.100 -0.168 0.000 0.959 329 R CB -0.065 30.211 30.300 -0.041 0.000 0.856 329 R HN 0.327 nan 8.270 nan 0.000 0.437 330 L N -0.978 120.067 121.223 -0.296 0.000 2.179 330 L HA 0.021 4.362 4.340 0.001 0.000 0.208 330 L C 0.277 176.540 176.870 -1.011 0.000 1.096 330 L CA 0.670 55.129 54.840 -0.634 0.000 0.779 330 L CB 0.220 41.860 42.059 -0.699 0.000 0.922 330 L HN 0.073 nan 8.230 nan 0.000 0.443 331 F N -0.506 119.362 119.950 -0.136 0.000 2.646 331 F HA 0.297 4.825 4.527 0.001 0.000 0.336 331 F C -1.761 173.915 175.800 -0.207 0.000 1.437 331 F CA -1.425 56.496 58.000 -0.132 0.000 1.142 331 F CB 0.563 39.514 39.000 -0.081 0.000 1.530 331 F HN -0.174 nan 8.300 nan 0.000 0.591 332 P HA -0.043 nan 4.420 nan 0.000 0.233 332 P C 0.327 177.540 177.300 -0.143 0.000 1.167 332 P CA 1.012 63.834 63.100 -0.463 0.000 0.770 332 P CB 0.386 31.805 31.700 -0.468 0.000 0.837 333 N N -0.644 118.033 118.700 -0.039 0.000 2.230 333 N HA 0.053 4.794 4.740 0.001 0.000 0.202 333 N C -0.116 175.399 175.510 0.007 0.000 1.119 333 N CA 0.405 53.460 53.050 0.008 0.000 0.851 333 N CB 0.330 38.822 38.487 0.009 0.000 0.990 333 N HN 0.041 nan 8.380 nan 0.000 0.497 334 T N 2.432 116.998 114.554 0.020 0.000 2.788 334 T HA 0.322 4.672 4.350 0.001 0.000 0.296 334 T C 0.496 175.190 174.700 -0.010 0.000 1.009 334 T CA -0.744 61.339 62.100 -0.028 0.000 0.949 334 T CB 0.898 69.749 68.868 -0.029 0.000 0.946 334 T HN 0.089 nan 8.240 nan 0.000 0.453 335 M N 3.386 122.937 119.600 -0.082 0.000 2.248 335 M HA 0.429 4.910 4.480 0.001 0.000 0.337 335 M C -0.920 175.389 176.300 0.015 0.000 1.121 335 M CA 0.209 55.500 55.300 -0.015 0.000 1.155 335 M CB -0.228 32.342 32.600 -0.050 0.000 1.514 335 M HN 0.346 nan 8.290 nan 0.000 0.452 336 L N 3.371 124.629 121.223 0.058 0.000 2.295 336 L HA 0.666 5.007 4.340 0.001 0.000 0.285 336 L C -1.106 175.769 176.870 0.008 0.000 1.035 336 L CA -0.278 54.587 54.840 0.041 0.000 0.806 336 L CB 1.093 43.187 42.059 0.059 0.000 1.214 336 L HN 0.805 nan 8.230 nan 0.000 0.426 337 F N 2.399 122.241 119.950 -0.180 0.000 2.556 337 F HA 0.687 5.215 4.527 0.001 0.000 0.314 337 F C -0.294 175.314 175.800 -0.319 0.000 1.106 337 F CA -0.711 57.114 58.000 -0.291 0.000 0.911 337 F CB 1.649 40.581 39.000 -0.115 0.000 1.190 337 F HN 0.421 nan 8.300 nan 0.000 0.448 338 A N 3.448 125.635 122.820 -1.056 0.000 2.391 338 A HA 0.437 4.758 4.320 0.001 0.000 0.316 338 A C 0.486 177.644 177.584 -0.710 0.000 1.381 338 A CA 0.217 51.813 52.037 -0.734 0.000 0.998 338 A CB -0.193 18.363 19.000 -0.740 0.000 1.147 338 A HN 0.925 nan 8.150 nan 0.000 0.545 339 S N 1.341 116.908 115.700 -0.222 0.000 2.524 339 S HA 0.131 4.602 4.470 0.001 0.000 0.216 339 S C 0.440 174.888 174.600 -0.253 0.000 0.987 339 S CA 0.455 58.663 58.200 0.013 0.000 0.909 339 S CB 0.116 63.439 63.200 0.204 0.000 0.781 339 S HN 0.736 nan 8.310 nan 0.000 0.521 340 E N 0.832 120.703 120.200 -0.549 0.000 2.761 340 E HA 0.520 4.871 4.350 0.001 0.000 0.266 340 E C -1.299 174.851 176.600 -0.750 0.000 1.097 340 E CA -0.317 55.642 56.400 -0.734 0.000 0.773 340 E CB 1.141 30.029 29.700 -1.353 0.000 1.453 340 E HN 0.377 nan 8.360 nan 0.000 0.388 341 A N 3.307 125.597 122.820 -0.883 0.000 3.078 341 A HA 0.373 4.694 4.320 0.001 0.000 0.279 341 A C -0.485 176.523 177.584 -0.961 0.000 1.594 341 A CA -0.349 50.615 52.037 -1.789 0.000 1.301 341 A CB -0.324 17.622 19.000 -1.755 0.000 1.162 341 A HN 0.524 nan 8.150 nan 0.000 0.585 342 C N 1.686 120.783 119.300 -0.338 0.000 2.985 342 C HA 0.783 5.244 4.460 0.001 0.000 0.314 342 C C -1.040 174.124 174.990 0.289 0.000 1.215 342 C CA -0.193 58.850 59.018 0.042 0.000 1.414 342 C CB 0.968 28.798 27.740 0.151 0.000 1.842 342 C HN 0.995 nan 8.230 nan 0.000 0.477 343 V N 1.968 122.057 119.914 0.291 0.000 3.007 343 V HA 1.021 5.142 4.120 0.001 0.000 0.311 343 V C 0.368 176.616 176.094 0.257 0.000 1.120 343 V CA 0.124 62.569 62.300 0.242 0.000 0.980 343 V CB 1.305 33.195 31.823 0.112 0.000 1.033 343 V HN 2.068 nan 8.190 nan 0.000 0.429 344 G N 1.349 110.277 108.800 0.214 0.000 2.511 344 G HA2 0.103 4.064 3.960 0.001 0.000 0.230 344 G HA3 0.103 4.064 3.960 0.001 0.000 0.230 344 G C -0.176 174.705 174.900 -0.032 0.000 1.264 344 G CA -0.228 44.886 45.100 0.023 0.000 0.866 344 G HN 1.718 nan 8.290 nan 0.000 0.523 345 S N 0.461 116.196 115.700 0.057 0.000 2.525 345 S HA 0.394 4.865 4.470 0.001 0.000 0.285 345 S C 0.707 175.185 174.600 -0.204 0.000 1.283 345 S CA -0.101 58.054 58.200 -0.076 0.000 1.072 345 S CB 1.110 64.287 63.200 -0.037 0.000 0.867 345 S HN 0.539 nan 8.310 nan 0.000 0.492 346 K N 1.963 122.099 120.400 -0.439 0.000 2.578 346 K HA -0.101 4.219 4.320 0.001 0.000 0.279 346 K C 1.048 177.194 176.600 -0.756 0.000 0.983 346 K CA 0.593 56.398 56.287 -0.803 0.000 1.078 346 K CB -0.066 31.546 32.500 -1.479 0.000 0.852 346 K HN 0.821 nan 8.250 nan 0.000 0.490 347 F N 1.378 121.093 119.950 -0.392 0.000 2.287 347 F HA -0.179 4.349 4.527 0.001 0.000 0.301 347 F C 1.093 176.932 175.800 0.064 0.000 1.069 347 F CA 0.594 58.568 58.000 -0.043 0.000 1.372 347 F CB -0.308 38.766 39.000 0.124 0.000 1.056 347 F HN 0.677 nan 8.300 nan 0.000 0.523 348 W N 0.951 121.953 121.300 -0.498 0.000 3.123 348 W HA 0.515 5.176 4.660 0.001 0.000 0.383 348 W C -0.362 176.076 176.519 -0.136 0.000 1.102 348 W CA -0.883 56.263 57.345 -0.332 0.000 1.865 348 W CB -0.802 28.311 29.460 -0.577 0.000 1.111 348 W HN -0.120 nan 8.180 nan 0.000 0.621 349 E N 1.470 121.402 120.200 -0.446 0.000 2.222 349 E HA 0.194 4.545 4.350 0.001 0.000 0.267 349 E C -0.118 176.428 176.600 -0.089 0.000 0.963 349 E CA -0.971 55.272 56.400 -0.261 0.000 0.837 349 E CB 1.518 30.962 29.700 -0.428 0.000 1.183 349 E HN 0.025 nan 8.360 nan 0.000 0.403 350 Q N 0.537 120.328 119.800 -0.016 0.000 2.432 350 Q HA 0.023 4.364 4.340 0.001 0.000 0.264 350 Q C 0.904 176.895 176.000 -0.016 0.000 1.035 350 Q CA 0.073 55.885 55.803 0.015 0.000 0.908 350 Q CB 0.777 29.540 28.738 0.041 0.000 1.280 350 Q HN 0.548 nan 8.270 nan 0.000 0.455 351 S N 0.322 116.042 115.700 0.032 0.000 2.374 351 S HA -0.091 4.379 4.470 0.001 0.000 0.227 351 S C 0.640 175.231 174.600 -0.015 0.000 1.037 351 S CA 0.735 58.960 58.200 0.041 0.000 1.024 351 S CB 0.224 63.476 63.200 0.087 0.000 0.861 351 S HN 0.412 nan 8.310 nan 0.000 0.456 352 V N 2.210 122.100 119.914 -0.040 0.000 2.444 352 V HA 0.415 4.536 4.120 0.001 0.000 0.294 352 V C -0.327 175.653 176.094 -0.191 0.000 1.022 352 V CA -0.670 61.574 62.300 -0.092 0.000 0.850 352 V CB 1.532 33.321 31.823 -0.056 0.000 0.992 352 V HN 0.191 nan 8.190 nan 0.000 0.426 353 R N 4.874 125.172 120.500 -0.337 0.000 2.312 353 R HA 0.496 4.837 4.340 0.001 0.000 0.310 353 R C -0.966 175.041 176.300 -0.488 0.000 1.064 353 R CA -0.624 55.023 56.100 -0.755 0.000 0.983 353 R CB 1.312 30.925 30.300 -1.144 0.000 1.139 353 R HN 0.612 nan 8.270 nan 0.000 0.536 354 L N 2.541 123.609 121.223 -0.258 0.000 2.597 354 L HA 0.068 4.408 4.340 0.001 0.000 0.271 354 L C 1.259 178.191 176.870 0.103 0.000 1.157 354 L CA 0.858 55.600 54.840 -0.163 0.000 0.928 354 L CB 0.459 42.152 42.059 -0.609 0.000 1.216 354 L HN 1.034 nan 8.230 nan 0.000 0.481 355 G N 1.953 110.811 108.800 0.097 0.000 2.144 355 G HA2 -0.267 3.694 3.960 0.001 0.000 0.218 355 G HA3 -0.267 3.694 3.960 0.001 0.000 0.218 355 G C 0.362 175.386 174.900 0.207 0.000 0.988 355 G CA 0.103 45.328 45.100 0.209 0.000 0.659 355 G HN 0.637 nan 8.290 nan 0.000 0.522 356 S N 0.268 116.010 115.700 0.070 0.000 2.457 356 S HA 0.209 4.680 4.470 0.001 0.000 0.294 356 S C 1.328 176.005 174.600 0.129 0.000 1.201 356 S CA 0.495 58.730 58.200 0.057 0.000 1.112 356 S CB -0.234 62.902 63.200 -0.107 0.000 1.018 356 S HN 0.452 nan 8.310 nan 0.000 0.511 357 W N 4.654 125.965 121.300 0.017 0.000 2.363 357 W HA -0.180 4.481 4.660 0.001 0.000 0.296 357 W C 1.414 177.909 176.519 -0.040 0.000 1.212 357 W CA 1.825 59.180 57.345 0.017 0.000 1.260 357 W CB -0.467 28.999 29.460 0.009 0.000 1.131 357 W HN 0.902 nan 8.180 nan 0.000 0.530 358 D N -0.048 120.393 120.400 0.068 0.000 2.133 358 D HA -0.236 4.404 4.640 0.001 0.000 0.195 358 D C 2.204 178.434 176.300 -0.117 0.000 0.997 358 D CA 2.093 56.080 54.000 -0.021 0.000 0.840 358 D CB -0.118 40.697 40.800 0.025 0.000 0.947 358 D HN 0.067 nan 8.370 nan 0.000 0.452 359 R N -0.514 119.922 120.500 -0.107 0.000 2.115 359 R HA 0.062 4.403 4.340 0.001 0.000 0.230 359 R C 2.493 178.711 176.300 -0.137 0.000 1.111 359 R CA 1.043 57.102 56.100 -0.068 0.000 0.976 359 R CB -0.377 29.896 30.300 -0.044 0.000 0.870 359 R HN 0.227 nan 8.270 nan 0.000 0.445 360 G N 1.120 109.680 108.800 -0.401 0.000 2.433 360 G HA2 -0.266 3.695 3.960 0.001 0.000 0.216 360 G HA3 -0.266 3.695 3.960 0.001 0.000 0.216 360 G C 1.449 175.696 174.900 -1.088 0.000 1.186 360 G CA 0.683 45.292 45.100 -0.818 0.000 0.779 360 G HN 0.131 nan 8.290 nan 0.000 0.543 361 M N 0.110 119.090 119.600 -1.033 0.000 2.144 361 M HA -0.163 4.318 4.480 0.001 0.000 0.260 361 M C 2.768 178.997 176.300 -0.118 0.000 1.067 361 M CA 1.510 56.533 55.300 -0.462 0.000 1.095 361 M CB -0.456 32.021 32.600 -0.207 0.000 1.365 361 M HN 0.317 nan 8.290 nan 0.000 0.406 362 Q N -0.790 118.969 119.800 -0.067 0.000 2.124 362 Q HA -0.191 4.150 4.340 0.001 0.000 0.202 362 Q C 1.846 177.872 176.000 0.044 0.000 0.977 362 Q CA 1.546 57.365 55.803 0.028 0.000 0.850 362 Q CB -0.212 28.555 28.738 0.047 0.000 0.901 362 Q HN 0.495 nan 8.270 nan 0.000 0.429 363 Y N 0.729 121.005 120.300 -0.040 0.000 2.133 363 Y HA -0.246 4.305 4.550 0.001 0.000 0.287 363 Y C 2.907 178.795 175.900 -0.020 0.000 1.134 363 Y CA 1.567 59.717 58.100 0.082 0.000 1.133 363 Y CB -0.513 38.053 38.460 0.176 0.000 0.987 363 Y HN 0.182 nan 8.280 nan 0.000 0.502 364 S N -1.092 114.756 115.700 0.246 0.000 2.368 364 S HA -0.274 4.197 4.470 0.001 0.000 0.224 364 S C 2.043 176.705 174.600 0.103 0.000 1.029 364 S CA 1.488 59.860 58.200 0.286 0.000 0.988 364 S CB -1.081 62.501 63.200 0.637 0.000 0.838 364 S HN 0.632 nan 8.310 nan 0.000 0.462 365 H N 1.532 120.603 119.070 0.003 0.000 2.352 365 H HA -0.109 4.447 4.556 0.001 0.000 0.299 365 H C 2.422 177.630 175.328 -0.201 0.000 1.097 365 H CA 1.935 57.949 56.048 -0.058 0.000 1.311 365 H CB -0.379 29.352 29.762 -0.052 0.000 1.377 365 H HN 0.614 nan 8.280 nan 0.000 0.504 366 S N -0.038 115.378 115.700 -0.473 0.000 2.406 366 S HA -0.046 4.425 4.470 0.001 0.000 0.228 366 S C 2.343 176.529 174.600 -0.690 0.000 1.020 366 S CA 0.778 58.477 58.200 -0.836 0.000 0.965 366 S CB -0.367 62.022 63.200 -1.353 0.000 0.798 366 S HN 0.440 nan 8.310 nan 0.000 0.488 367 I N 1.205 121.437 120.570 -0.563 0.000 2.179 367 I HA -0.151 4.020 4.170 0.001 0.000 0.242 367 I C 2.325 178.182 176.117 -0.433 0.000 1.088 367 I CA 1.413 62.352 61.300 -0.603 0.000 1.357 367 I CB -0.391 36.867 38.000 -1.238 0.000 1.051 367 I HN 0.322 nan 8.210 nan 0.000 0.409 368 I N 0.246 120.615 120.570 -0.335 0.000 2.163 368 I HA -0.301 3.870 4.170 0.001 0.000 0.243 368 I C 2.566 178.611 176.117 -0.120 0.000 1.085 368 I CA 1.687 62.919 61.300 -0.114 0.000 1.347 368 I CB -0.633 37.387 38.000 0.033 0.000 1.044 368 I HN 0.241 nan 8.210 nan 0.000 0.408 369 T N 0.308 114.727 114.554 -0.225 0.000 2.684 369 T HA -0.189 4.162 4.350 0.001 0.000 0.267 369 T C 1.673 176.399 174.700 0.043 0.000 1.036 369 T CA 1.707 63.735 62.100 -0.121 0.000 1.148 369 T CB -0.563 68.145 68.868 -0.266 0.000 0.863 369 T HN 0.399 nan 8.240 nan 0.000 0.436 370 N N 0.683 119.413 118.700 0.050 0.000 2.061 370 N HA -0.074 4.667 4.740 0.001 0.000 0.193 370 N C 1.881 177.532 175.510 0.236 0.000 1.030 370 N CA 1.066 54.260 53.050 0.239 0.000 0.856 370 N CB -0.278 38.549 38.487 0.566 0.000 1.023 370 N HN 0.280 nan 8.380 nan 0.000 0.424 371 L N 1.001 122.359 121.223 0.225 0.000 2.083 371 L HA -0.134 4.207 4.340 0.001 0.000 0.209 371 L C 2.033 178.853 176.870 -0.084 0.000 1.083 371 L CA 0.796 55.733 54.840 0.162 0.000 0.752 371 L CB -0.207 41.932 42.059 0.133 0.000 0.899 371 L HN 0.229 nan 8.230 nan 0.000 0.433 372 L N -1.863 119.252 121.223 -0.180 0.000 2.465 372 L HA -0.150 4.191 4.340 0.001 0.000 0.224 372 L C 0.554 176.896 176.870 -0.879 0.000 1.145 372 L CA 0.648 55.199 54.840 -0.482 0.000 0.834 372 L CB -0.120 41.688 42.059 -0.419 0.000 0.944 372 L HN 0.227 nan 8.230 nan 0.000 0.451 373 Y N -0.773 119.338 120.300 -0.314 0.000 2.685 373 Y HA 0.236 4.787 4.550 0.001 0.000 0.339 373 Y C 0.428 176.168 175.900 -0.266 0.000 0.961 373 Y CA -0.650 57.234 58.100 -0.361 0.000 1.330 373 Y CB -0.399 38.014 38.460 -0.077 0.000 1.269 373 Y HN 0.158 nan 8.280 nan 0.000 0.566 374 H N -3.035 115.969 119.070 -0.111 0.000 3.642 374 H HA -0.157 4.400 4.556 0.001 0.000 0.185 374 H C 0.138 175.438 175.328 -0.048 0.000 0.992 374 H CA 0.579 56.538 56.048 -0.148 0.000 1.216 374 H CB -1.596 27.947 29.762 -0.364 0.000 1.055 374 H HN 0.124 nan 8.280 nan 0.000 0.351 375 V N 2.826 122.774 119.914 0.058 0.000 2.637 375 V HA 0.048 4.169 4.120 0.001 0.000 0.296 375 V C 1.995 177.954 176.094 -0.226 0.000 1.046 375 V CA 0.755 62.991 62.300 -0.106 0.000 1.066 375 V CB 1.545 33.267 31.823 -0.169 0.000 0.968 375 V HN 0.349 nan 8.190 nan 0.000 0.483 376 V N 1.670 121.383 119.914 -0.335 0.000 3.644 376 V HA 0.674 4.795 4.120 0.001 0.000 0.267 376 V C 0.699 176.526 176.094 -0.445 0.000 1.277 376 V CA 0.992 63.175 62.300 -0.197 0.000 1.096 376 V CB -0.077 31.756 31.823 0.018 0.000 0.828 376 V HN 0.998 nan 8.190 nan 0.000 0.446 377 G N -1.717 106.336 108.800 -1.246 0.000 2.506 377 G HA2 0.478 4.439 3.960 0.001 0.000 0.292 377 G HA3 0.478 4.439 3.960 0.001 0.000 0.292 377 G C -2.246 171.240 174.900 -2.357 0.000 1.425 377 G CA -0.717 43.562 45.100 -1.369 0.000 0.788 377 G HN 0.176 nan 8.290 nan 0.000 0.490 378 W N 0.547 121.181 121.300 -1.110 0.000 3.042 378 W HA 0.498 5.159 4.660 0.001 0.000 0.337 378 W C -0.921 175.255 176.519 -0.572 0.000 1.086 378 W CA -0.648 56.173 57.345 -0.873 0.000 1.236 378 W CB 2.627 31.765 29.460 -0.537 0.000 1.381 378 W HN 0.467 nan 8.180 nan 0.000 0.472 379 T N 2.353 116.724 114.554 -0.304 0.000 2.772 379 T HA 0.077 4.428 4.350 0.001 0.000 0.288 379 T C -0.049 174.547 174.700 -0.173 0.000 0.994 379 T CA -0.268 61.765 62.100 -0.111 0.000 0.951 379 T CB 1.239 70.163 68.868 0.093 0.000 0.933 379 T HN 0.212 nan 8.240 nan 0.000 0.447 380 D N 1.599 121.940 120.400 -0.098 0.000 2.341 380 D HA 0.004 4.644 4.640 0.001 0.000 0.235 380 D C 0.549 176.936 176.300 0.144 0.000 1.265 380 D CA -0.114 53.900 54.000 0.023 0.000 0.888 380 D CB 0.711 41.627 40.800 0.193 0.000 1.192 380 D HN 0.551 nan 8.370 nan 0.000 0.462 381 W N 0.926 122.177 121.300 -0.082 0.000 1.648 381 W HA 0.062 4.722 4.660 0.001 0.000 0.636 381 W C 0.457 176.902 176.519 -0.123 0.000 1.514 381 W CA -0.744 56.531 57.345 -0.116 0.000 1.535 381 W CB 0.012 29.385 29.460 -0.146 0.000 3.325 381 W HN 0.232 nan 8.180 nan 0.000 0.781 382 N N 2.613 120.961 118.700 -0.586 0.000 2.359 382 N HA -0.107 4.634 4.740 0.001 0.000 0.261 382 N C 0.891 176.261 175.510 -0.233 0.000 1.267 382 N CA 0.540 53.200 53.050 -0.650 0.000 0.864 382 N CB 0.855 38.771 38.487 -0.952 0.000 1.063 382 N HN 0.338 nan 8.380 nan 0.000 0.474 383 L N 1.199 122.338 121.223 -0.140 0.000 2.127 383 L HA -0.125 4.216 4.340 0.001 0.000 0.211 383 L C 1.074 178.016 176.870 0.120 0.000 1.089 383 L CA 1.068 55.897 54.840 -0.018 0.000 0.757 383 L CB -0.153 41.879 42.059 -0.043 0.000 0.899 383 L HN 0.593 nan 8.230 nan 0.000 0.434 384 A N -0.918 121.896 122.820 -0.011 0.000 2.594 384 A HA 0.769 5.090 4.320 0.001 0.000 0.295 384 A C -1.194 176.342 177.584 -0.081 0.000 1.071 384 A CA -0.469 51.565 52.037 -0.005 0.000 0.685 384 A CB 1.534 20.533 19.000 -0.002 0.000 1.285 384 A HN -0.003 nan 8.150 nan 0.000 0.405 385 L N 0.920 122.113 121.223 -0.051 0.000 2.403 385 L HA 0.470 4.811 4.340 0.001 0.000 0.253 385 L C -0.139 176.734 176.870 0.006 0.000 1.045 385 L CA -1.214 53.601 54.840 -0.042 0.000 0.845 385 L CB 2.365 44.385 42.059 -0.065 0.000 1.447 385 L HN 0.996 nan 8.230 nan 0.000 0.411 386 N N -0.109 118.607 118.700 0.028 0.000 2.364 386 N HA 0.292 5.033 4.740 0.001 0.000 0.264 386 N C -2.409 173.127 175.510 0.043 0.000 1.263 386 N CA -1.570 51.504 53.050 0.040 0.000 0.959 386 N CB -0.148 38.366 38.487 0.045 0.000 1.204 386 N HN 0.181 nan 8.380 nan 0.000 0.550 387 P HA 0.018 nan 4.420 nan 0.000 0.230 387 P C -0.074 177.243 177.300 0.029 0.000 1.158 387 P CA 0.987 64.106 63.100 0.031 0.000 0.769 387 P CB 0.169 31.892 31.700 0.039 0.000 0.807 388 E N -1.105 119.123 120.200 0.047 0.000 2.479 388 E HA 0.261 4.611 4.350 0.001 0.000 0.193 388 E C 1.346 177.987 176.600 0.068 0.000 1.049 388 E CA 0.414 56.848 56.400 0.056 0.000 0.870 388 E CB -0.830 28.906 29.700 0.060 0.000 0.944 388 E HN 0.089 nan 8.360 nan 0.000 0.492 389 G N -0.250 108.589 108.800 0.065 0.000 2.160 389 G HA2 -0.180 3.781 3.960 0.001 0.000 0.244 389 G HA3 -0.180 3.781 3.960 0.001 0.000 0.244 389 G C 0.452 175.459 174.900 0.179 0.000 1.022 389 G CA -0.005 45.151 45.100 0.093 0.000 0.741 389 G HN 0.568 nan 8.290 nan 0.000 0.508 390 G N -0.865 108.017 108.800 0.138 0.000 3.105 390 G HA2 0.877 4.838 3.960 0.001 0.000 0.277 390 G HA3 0.877 4.838 3.960 0.001 0.000 0.277 390 G C -2.992 171.986 174.900 0.129 0.000 1.375 390 G CA -0.813 44.374 45.100 0.146 0.000 0.962 390 G HN 0.210 nan 8.290 nan 0.000 0.541 391 P HA 0.187 nan 4.420 nan 0.000 0.279 391 P C -1.143 176.172 177.300 0.026 0.000 1.239 391 P CA -0.323 62.821 63.100 0.074 0.000 0.789 391 P CB 1.442 33.181 31.700 0.067 0.000 0.933 392 N N 3.074 121.719 118.700 -0.093 0.000 2.454 392 N HA 0.088 4.829 4.740 0.001 0.000 0.291 392 N C 0.808 176.223 175.510 -0.159 0.000 1.079 392 N CA -0.687 52.159 53.050 -0.341 0.000 0.893 392 N CB 1.226 39.323 38.487 -0.650 0.000 1.512 392 N HN 0.524 nan 8.380 nan 0.000 0.497 393 W N 4.143 125.328 121.300 -0.192 0.000 2.937 393 W HA 0.116 4.777 4.660 0.001 0.000 0.245 393 W C -0.387 176.089 176.519 -0.071 0.000 1.306 393 W CA 0.041 57.327 57.345 -0.099 0.000 1.470 393 W CB -0.534 28.883 29.460 -0.073 0.000 1.132 393 W HN 0.183 nan 8.180 nan 0.000 0.675 394 V N 0.989 120.473 119.914 -0.716 0.000 2.784 394 V HA 0.274 4.395 4.120 0.001 0.000 0.231 394 V C 0.406 176.327 176.094 -0.288 0.000 1.128 394 V CA 0.859 62.775 62.300 -0.640 0.000 1.178 394 V CB -0.279 31.092 31.823 -0.753 0.000 0.943 394 V HN 0.006 nan 8.190 nan 0.000 0.500 395 R N 0.669 121.033 120.500 -0.227 0.000 2.633 395 R HA 0.253 4.594 4.340 0.001 0.000 0.256 395 R C -1.778 174.617 176.300 0.158 0.000 1.131 395 R CA -0.591 55.476 56.100 -0.056 0.000 0.994 395 R CB 1.062 31.324 30.300 -0.064 0.000 1.261 395 R HN 0.331 nan 8.270 nan 0.000 0.446 396 N N 4.821 123.639 118.700 0.196 0.000 2.475 396 N HA 0.158 4.898 4.740 0.001 0.000 0.267 396 N C -0.022 175.785 175.510 0.495 0.000 1.169 396 N CA 0.205 53.440 53.050 0.308 0.000 0.947 396 N CB 0.131 38.712 38.487 0.157 0.000 1.061 396 N HN 0.585 nan 8.380 nan 0.000 0.466 397 F N -1.173 118.890 119.950 0.188 0.000 2.938 397 F HA 0.271 4.799 4.527 0.002 0.000 0.370 397 F C 0.160 176.117 175.800 0.262 0.000 0.981 397 F CA -0.749 57.383 58.000 0.220 0.000 1.108 397 F CB 0.199 39.360 39.000 0.269 0.000 1.086 397 F HN 0.136 nan 8.300 nan 0.000 0.569 398 V N -1.159 118.676 119.914 -0.133 0.000 2.864 398 V HA 0.591 4.711 4.120 0.001 0.000 0.314 398 V C -0.954 175.132 176.094 -0.013 0.000 1.073 398 V CA -0.662 61.611 62.300 -0.045 0.000 0.956 398 V CB 2.059 33.838 31.823 -0.073 0.000 1.023 398 V HN 0.062 nan 8.190 nan 0.000 0.435 399 D N 0.837 121.252 120.400 0.025 0.000 2.466 399 D HA 0.648 5.288 4.640 0.001 0.000 0.262 399 D C -0.462 175.834 176.300 -0.007 0.000 1.177 399 D CA 0.091 54.092 54.000 0.000 0.000 1.035 399 D CB 2.076 42.876 40.800 -0.000 0.000 1.105 399 D HN 0.929 nan 8.370 nan 0.000 0.551 400 S N -0.923 114.766 115.700 -0.018 0.000 2.541 400 S HA 0.457 4.927 4.470 0.001 0.000 0.271 400 S C -2.348 172.264 174.600 0.020 0.000 1.133 400 S CA -1.215 56.981 58.200 -0.008 0.000 0.876 400 S CB 1.759 64.923 63.200 -0.061 0.000 1.105 400 S HN 0.109 nan 8.310 nan 0.000 0.470 401 P HA 0.171 nan 4.420 nan 0.000 0.222 401 P C -0.323 177.044 177.300 0.113 0.000 1.147 401 P CA 0.990 64.153 63.100 0.105 0.000 0.790 401 P CB 0.003 31.840 31.700 0.230 0.000 0.780 402 I N -0.122 120.510 120.570 0.103 0.000 2.466 402 I HA 0.273 4.443 4.170 0.001 0.000 0.289 402 I C -0.549 175.604 176.117 0.061 0.000 1.026 402 I CA -0.950 60.377 61.300 0.043 0.000 1.078 402 I CB 2.358 40.324 38.000 -0.057 0.000 1.249 402 I HN -0.304 nan 8.210 nan 0.000 0.429 403 I N 6.858 127.489 120.570 0.103 0.000 2.389 403 I HA 0.346 4.516 4.170 0.001 0.000 0.288 403 I C -0.113 176.065 176.117 0.103 0.000 0.999 403 I CA -0.762 60.601 61.300 0.104 0.000 1.129 403 I CB 1.893 39.977 38.000 0.139 0.000 1.288 403 I HN 0.122 nan 8.210 nan 0.000 0.444 404 V N 5.277 125.222 119.914 0.052 0.000 2.383 404 V HA 0.232 4.353 4.120 0.001 0.000 0.275 404 V C 0.077 176.180 176.094 0.015 0.000 1.036 404 V CA -0.554 61.758 62.300 0.020 0.000 0.889 404 V CB 1.722 33.549 31.823 0.006 0.000 0.985 404 V HN 0.600 nan 8.190 nan 0.000 0.459 405 D N 4.634 125.010 120.400 -0.040 0.000 2.456 405 D HA 0.216 4.856 4.640 0.001 0.000 0.219 405 D C 1.160 177.467 176.300 0.012 0.000 1.126 405 D CA -0.508 53.502 54.000 0.017 0.000 0.890 405 D CB 0.991 41.822 40.800 0.051 0.000 1.025 405 D HN 0.590 nan 8.370 nan 0.000 0.511 406 I N 1.076 121.661 120.570 0.026 0.000 3.241 406 I HA -0.087 4.084 4.170 0.001 0.000 0.280 406 I C 1.421 177.554 176.117 0.026 0.000 1.320 406 I CA 0.981 62.295 61.300 0.023 0.000 1.413 406 I CB -0.413 37.601 38.000 0.024 0.000 1.060 406 I HN 0.218 nan 8.210 nan 0.000 0.500 407 T N -2.508 112.067 114.554 0.034 0.000 3.037 407 T HA 0.210 4.561 4.350 0.001 0.000 0.251 407 T C 1.396 176.115 174.700 0.032 0.000 1.079 407 T CA 0.040 62.162 62.100 0.036 0.000 1.067 407 T CB -0.032 68.864 68.868 0.047 0.000 0.948 407 T HN 0.448 nan 8.240 nan 0.000 0.496 408 K N 0.696 121.113 120.400 0.028 0.000 2.447 408 K HA 0.182 4.503 4.320 0.001 0.000 0.205 408 K C -0.178 176.424 176.600 0.002 0.000 1.059 408 K CA 0.092 56.392 56.287 0.021 0.000 1.065 408 K CB 0.497 33.016 32.500 0.032 0.000 0.885 408 K HN 0.085 nan 8.250 nan 0.000 0.545 409 D N 2.574 122.978 120.400 0.006 0.000 2.701 409 D HA -0.151 4.490 4.640 0.001 0.000 0.235 409 D C -0.770 175.529 176.300 -0.001 0.000 1.155 409 D CA 1.368 55.377 54.000 0.014 0.000 0.649 409 D CB -0.764 40.048 40.800 0.020 0.000 1.050 409 D HN 0.445 nan 8.370 nan 0.000 0.425 410 T N -1.660 112.860 114.554 -0.056 0.000 2.907 410 T HA 0.748 5.098 4.350 0.001 0.000 0.292 410 T C -0.181 174.392 174.700 -0.212 0.000 1.043 410 T CA -0.956 61.031 62.100 -0.188 0.000 1.003 410 T CB 1.698 70.387 68.868 -0.298 0.000 1.084 410 T HN 0.318 nan 8.240 nan 0.000 0.483 411 F N -0.399 119.303 119.950 -0.413 0.000 2.588 411 F HA 0.812 5.340 4.527 0.001 0.000 0.314 411 F C -1.866 173.639 175.800 -0.491 0.000 1.069 411 F CA -1.813 55.916 58.000 -0.452 0.000 0.931 411 F CB 1.315 40.171 39.000 -0.241 0.000 1.260 411 F HN 0.613 nan 8.300 nan 0.000 0.465 412 Y N 1.040 121.378 120.300 0.063 0.000 2.341 412 Y HA 0.499 5.050 4.550 0.001 0.000 0.338 412 Y C -0.507 175.392 175.900 -0.002 0.000 0.965 412 Y CA -1.107 56.986 58.100 -0.013 0.000 1.108 412 Y CB 2.135 40.595 38.460 -0.000 0.000 1.180 412 Y HN 0.458 nan 8.280 nan 0.000 0.458 413 K N 3.996 124.459 120.400 0.104 0.000 2.264 413 K HA 0.230 4.551 4.320 0.001 0.000 0.277 413 K C -0.343 176.381 176.600 0.207 0.000 1.067 413 K CA -0.695 55.559 56.287 -0.054 0.000 0.900 413 K CB 0.843 33.094 32.500 -0.415 0.000 1.124 413 K HN 0.535 nan 8.250 nan 0.000 0.469 414 Q N 2.461 122.372 119.800 0.184 0.000 2.417 414 Q HA 0.050 4.391 4.340 0.001 0.000 0.241 414 Q C -1.697 174.533 176.000 0.383 0.000 1.008 414 Q CA -1.599 54.338 55.803 0.224 0.000 0.901 414 Q CB 0.351 29.151 28.738 0.105 0.000 1.259 414 Q HN 0.305 nan 8.270 nan 0.000 0.489 415 P HA -0.177 nan 4.420 nan 0.000 0.217 415 P C 1.292 178.775 177.300 0.304 0.000 1.148 415 P CA 1.610 64.966 63.100 0.427 0.000 0.828 415 P CB 0.085 31.953 31.700 0.281 0.000 0.783 416 M N -2.673 116.956 119.600 0.047 0.000 2.106 416 M HA -0.212 4.269 4.480 0.001 0.000 0.259 416 M C 2.010 178.300 176.300 -0.015 0.000 1.068 416 M CA 1.877 57.076 55.300 -0.168 0.000 1.100 416 M CB -0.912 31.415 32.600 -0.455 0.000 1.351 416 M HN -0.076 nan 8.290 nan 0.000 0.404 417 F N 0.225 120.125 119.950 -0.083 0.000 2.091 417 F HA -0.302 4.226 4.527 0.001 0.000 0.299 417 F C 1.878 177.554 175.800 -0.206 0.000 1.103 417 F CA 1.813 59.694 58.000 -0.198 0.000 1.228 417 F CB -0.476 38.270 39.000 -0.425 0.000 0.984 417 F HN 0.036 nan 8.300 nan 0.000 0.477 418 Y N -0.702 119.781 120.300 0.305 0.000 2.220 418 Y HA -0.189 4.362 4.550 0.001 0.000 0.291 418 Y C 2.815 178.844 175.900 0.216 0.000 1.129 418 Y CA 1.787 60.039 58.100 0.253 0.000 1.161 418 Y CB -1.079 37.610 38.460 0.381 0.000 0.997 418 Y HN 0.158 nan 8.280 nan 0.000 0.522 419 H N -0.268 118.946 119.070 0.240 0.000 2.352 419 H HA -0.160 4.397 4.556 0.001 0.000 0.299 419 H C 2.283 177.798 175.328 0.312 0.000 1.097 419 H CA 1.756 57.930 56.048 0.211 0.000 1.311 419 H CB -0.334 29.469 29.762 0.069 0.000 1.377 419 H HN 0.337 nan 8.280 nan 0.000 0.504 420 L N -0.133 121.264 121.223 0.289 0.000 1.989 420 L HA -0.144 4.196 4.340 0.001 0.000 0.211 420 L C 2.925 179.831 176.870 0.061 0.000 1.071 420 L CA 1.334 56.303 54.840 0.215 0.000 0.749 420 L CB -0.721 41.428 42.059 0.151 0.000 0.890 420 L HN 0.307 nan 8.230 nan 0.000 0.431 421 G N -1.903 106.795 108.800 -0.170 0.000 2.450 421 G HA2 -0.267 3.694 3.960 0.001 0.000 0.220 421 G HA3 -0.267 3.694 3.960 0.001 0.000 0.220 421 G C 1.365 176.116 174.900 -0.249 0.000 1.130 421 G CA 0.465 45.369 45.100 -0.326 0.000 0.760 421 G HN 0.435 nan 8.290 nan 0.000 0.557 422 H N -0.737 118.277 119.070 -0.093 0.000 2.518 422 H HA -0.053 4.503 4.556 0.001 0.000 0.292 422 H C 1.881 176.999 175.328 -0.349 0.000 1.068 422 H CA 1.285 57.263 56.048 -0.116 0.000 1.275 422 H CB 0.062 29.673 29.762 -0.250 0.000 1.375 422 H HN 0.500 nan 8.280 nan 0.000 0.563 423 F N -0.373 119.498 119.950 -0.132 0.000 2.390 423 F HA -0.064 4.463 4.527 0.001 0.000 0.281 423 F C 2.837 178.164 175.800 -0.788 0.000 1.016 423 F CA 0.639 58.387 58.000 -0.421 0.000 1.286 423 F CB -0.579 38.013 39.000 -0.680 0.000 1.134 423 F HN -0.001 nan 8.300 nan 0.000 0.597 424 S N 0.463 115.687 115.700 -0.793 0.000 2.383 424 S HA -0.260 4.210 4.470 0.001 0.000 0.229 424 S C 1.965 176.303 174.600 -0.436 0.000 1.030 424 S CA 1.534 59.300 58.200 -0.723 0.000 1.002 424 S CB -0.633 62.418 63.200 -0.248 0.000 0.829 424 S HN 0.371 nan 8.310 nan 0.000 0.467 425 K N 0.083 120.102 120.400 -0.634 0.000 2.217 425 K HA 0.100 4.421 4.320 0.001 0.000 0.202 425 K C 0.539 176.616 176.600 -0.872 0.000 1.051 425 K CA 1.070 56.792 56.287 -0.942 0.000 0.952 425 K CB -0.093 31.416 32.500 -1.653 0.000 0.736 425 K HN 0.574 nan 8.250 nan 0.000 0.453 426 F N -0.272 119.551 119.950 -0.212 0.000 2.688 426 F HA 0.314 4.842 4.527 0.001 0.000 0.310 426 F C -0.034 175.772 175.800 0.011 0.000 1.098 426 F CA -0.588 57.357 58.000 -0.091 0.000 1.228 426 F CB 0.933 39.853 39.000 -0.132 0.000 1.042 426 F HN -0.196 nan 8.300 nan 0.000 0.557 427 I N 3.163 123.775 120.570 0.069 0.000 2.668 427 I HA 0.255 4.425 4.170 0.001 0.000 0.276 427 I C -2.427 173.734 176.117 0.073 0.000 1.139 427 I CA -2.032 59.336 61.300 0.114 0.000 1.133 427 I CB 0.707 38.889 38.000 0.303 0.000 1.327 427 I HN -0.222 nan 8.210 nan 0.000 0.520 428 P HA 0.014 nan 4.420 nan 0.000 0.272 428 P C -0.107 177.198 177.300 0.007 0.000 1.240 428 P CA -0.196 62.864 63.100 -0.068 0.000 0.791 428 P CB 0.764 32.354 31.700 -0.184 0.000 0.978 429 E N 0.103 120.315 120.200 0.020 0.000 2.452 429 E HA 0.167 4.518 4.350 0.001 0.000 0.261 429 E C 1.070 177.672 176.600 0.003 0.000 0.987 429 E CA 0.944 57.352 56.400 0.013 0.000 0.926 429 E CB -0.625 29.059 29.700 -0.026 0.000 0.934 429 E HN 0.776 nan 8.360 nan 0.000 0.452 430 G N 2.993 111.808 108.800 0.025 0.000 2.213 430 G HA2 -0.275 3.686 3.960 0.001 0.000 0.236 430 G HA3 -0.275 3.686 3.960 0.001 0.000 0.236 430 G C 0.274 175.199 174.900 0.042 0.000 0.991 430 G CA 0.140 45.257 45.100 0.029 0.000 0.629 430 G HN 0.604 nan 8.290 nan 0.000 0.517 431 S N 0.242 115.970 115.700 0.046 0.000 2.563 431 S HA 0.403 4.874 4.470 0.001 0.000 0.284 431 S C 0.240 174.904 174.600 0.107 0.000 1.331 431 S CA 0.638 58.884 58.200 0.077 0.000 1.047 431 S CB 1.427 64.689 63.200 0.104 0.000 0.859 431 S HN 0.690 nan 8.310 nan 0.000 0.514 432 Q N 1.595 121.458 119.800 0.106 0.000 2.340 432 Q HA 0.344 4.685 4.340 0.001 0.000 0.268 432 Q C -0.443 175.639 176.000 0.137 0.000 1.031 432 Q CA -0.776 55.094 55.803 0.112 0.000 0.804 432 Q CB 1.065 29.846 28.738 0.073 0.000 1.286 432 Q HN 0.596 nan 8.270 nan 0.000 0.448 433 R N 2.527 123.138 120.500 0.185 0.000 2.537 433 R HA 0.271 4.612 4.340 0.001 0.000 0.280 433 R C -0.481 175.987 176.300 0.279 0.000 1.058 433 R CA 0.167 56.402 56.100 0.225 0.000 1.057 433 R CB 0.393 30.832 30.300 0.231 0.000 0.973 433 R HN 0.532 nan 8.270 nan 0.000 0.438 434 V N 0.724 120.784 119.914 0.243 0.000 3.156 434 V HA 0.749 4.870 4.120 0.001 0.000 0.311 434 V C 0.254 176.533 176.094 0.308 0.000 1.208 434 V CA -0.782 61.631 62.300 0.189 0.000 1.063 434 V CB 1.350 33.204 31.823 0.052 0.000 1.098 434 V HN 0.823 nan 8.190 nan 0.000 0.452 435 G N 0.010 108.964 108.800 0.257 0.000 2.527 435 G HA2 0.540 4.501 3.960 0.001 0.000 0.248 435 G HA3 0.540 4.501 3.960 0.001 0.000 0.248 435 G C -1.084 173.903 174.900 0.146 0.000 1.231 435 G CA -0.151 45.120 45.100 0.284 0.000 0.838 435 G HN 1.301 nan 8.290 nan 0.000 0.570 436 L N 2.257 123.545 121.223 0.109 0.000 2.611 436 L HA 0.427 4.768 4.340 0.001 0.000 0.263 436 L C -0.769 176.132 176.870 0.051 0.000 0.969 436 L CA -0.471 54.413 54.840 0.072 0.000 0.894 436 L CB 2.019 44.119 42.059 0.069 0.000 1.229 436 L HN 0.319 nan 8.230 nan 0.000 0.416 437 V N 4.400 124.341 119.914 0.046 0.000 2.383 437 V HA 0.765 4.885 4.120 0.001 0.000 0.275 437 V C 0.745 176.858 176.094 0.032 0.000 1.036 437 V CA -0.205 62.119 62.300 0.039 0.000 0.889 437 V CB 1.334 33.183 31.823 0.043 0.000 0.985 437 V HN 0.891 nan 8.190 nan 0.000 0.459 438 A N 3.692 126.529 122.820 0.029 0.000 2.366 438 A HA 0.470 4.791 4.320 0.001 0.000 0.272 438 A C 1.314 178.918 177.584 0.033 0.000 1.135 438 A CA 0.234 52.288 52.037 0.028 0.000 0.804 438 A CB 0.597 19.612 19.000 0.025 0.000 1.064 438 A HN 1.119 nan 8.150 nan 0.000 0.499 439 S N 1.277 117.000 115.700 0.038 0.000 2.481 439 S HA 0.047 4.517 4.470 0.001 0.000 0.231 439 S C 0.557 175.178 174.600 0.035 0.000 0.996 439 S CA 0.873 59.099 58.200 0.044 0.000 0.942 439 S CB -0.433 62.803 63.200 0.060 0.000 0.768 439 S HN 0.990 nan 8.310 nan 0.000 0.520 440 Q N -0.717 119.101 119.800 0.030 0.000 2.633 440 Q HA 0.419 4.759 4.340 0.001 0.000 0.289 440 Q C -1.485 174.528 176.000 0.023 0.000 0.940 440 Q CA -1.176 54.641 55.803 0.024 0.000 0.785 440 Q CB 0.852 29.603 28.738 0.021 0.000 1.467 440 Q HN 0.018 nan 8.270 nan 0.000 0.401 441 K N 1.144 121.556 120.400 0.021 0.000 2.485 441 K HA 0.068 4.388 4.320 0.001 0.000 0.277 441 K C -0.824 175.787 176.600 0.019 0.000 0.990 441 K CA 0.986 57.285 56.287 0.021 0.000 0.994 441 K CB 0.170 32.682 32.500 0.020 0.000 0.906 441 K HN 0.821 nan 8.250 nan 0.000 0.488 442 N N 0.566 119.279 118.700 0.021 0.000 3.020 442 N HA 0.183 4.924 4.740 0.001 0.000 0.248 442 N C -1.159 174.364 175.510 0.021 0.000 1.480 442 N CA -0.790 52.271 53.050 0.017 0.000 0.874 442 N CB 1.002 39.499 38.487 0.017 0.000 1.433 442 N HN 0.263 nan 8.380 nan 0.000 0.530 443 D N -0.313 120.096 120.400 0.015 0.000 2.395 443 D HA 0.225 4.866 4.640 0.001 0.000 0.213 443 D C -0.088 176.228 176.300 0.026 0.000 1.110 443 D CA 0.086 54.096 54.000 0.016 0.000 0.835 443 D CB 0.354 41.154 40.800 0.000 0.000 0.965 443 D HN 0.361 nan 8.370 nan 0.000 0.505 444 L N 1.171 122.413 121.223 0.031 0.000 2.418 444 L HA 0.230 4.571 4.340 0.001 0.000 0.265 444 L C 0.402 177.316 176.870 0.074 0.000 1.143 444 L CA -0.264 54.604 54.840 0.046 0.000 0.809 444 L CB 0.892 42.971 42.059 0.034 0.000 1.124 444 L HN -0.262 nan 8.230 nan 0.000 0.456 445 D N 2.142 122.607 120.400 0.108 0.000 2.233 445 D HA 0.577 5.218 4.640 0.001 0.000 0.240 445 D C -0.520 175.853 176.300 0.122 0.000 1.074 445 D CA -0.041 54.040 54.000 0.135 0.000 0.838 445 D CB 2.209 43.139 40.800 0.217 0.000 1.124 445 D HN 0.578 nan 8.370 nan 0.000 0.475 446 A N 1.688 124.567 122.820 0.099 0.000 2.515 446 A HA 0.693 5.014 4.320 0.001 0.000 0.298 446 A C -1.331 176.308 177.584 0.091 0.000 1.059 446 A CA -0.763 51.334 52.037 0.100 0.000 0.698 446 A CB 2.263 21.308 19.000 0.076 0.000 1.289 446 A HN 0.360 nan 8.150 nan 0.000 0.404 447 V N 0.366 120.349 119.914 0.115 0.000 2.969 447 V HA 0.823 4.943 4.120 0.001 0.000 0.304 447 V C -0.695 175.465 176.094 0.110 0.000 1.192 447 V CA 0.202 62.565 62.300 0.105 0.000 0.962 447 V CB 1.956 33.863 31.823 0.140 0.000 1.045 447 V HN 2.082 nan 8.190 nan 0.000 0.428 448 A N 6.033 128.910 122.820 0.094 0.000 2.350 448 A HA 0.996 5.316 4.320 0.001 0.000 0.324 448 A C -1.540 176.095 177.584 0.084 0.000 1.118 448 A CA -0.534 51.546 52.037 0.071 0.000 0.783 448 A CB 1.475 20.512 19.000 0.061 0.000 1.236 448 A HN 0.894 nan 8.150 nan 0.000 0.457 449 L N 1.055 122.308 121.223 0.049 0.000 2.376 449 L HA 0.682 5.023 4.340 0.001 0.000 0.258 449 L C -0.267 176.606 176.870 0.004 0.000 1.013 449 L CA -0.251 54.636 54.840 0.078 0.000 0.822 449 L CB 2.208 44.357 42.059 0.151 0.000 1.388 449 L HN 0.824 nan 8.230 nan 0.000 0.413 450 M N 0.890 120.511 119.600 0.034 0.000 2.227 450 M HA 0.444 4.925 4.480 0.001 0.000 0.335 450 M C -0.619 175.746 176.300 0.109 0.000 1.053 450 M CA -0.309 54.988 55.300 -0.006 0.000 0.973 450 M CB 1.070 33.656 32.600 -0.024 0.000 1.623 450 M HN 0.561 nan 8.290 nan 0.000 0.434 451 H N 4.607 123.628 119.070 -0.081 0.000 2.836 451 H HA 0.034 4.590 4.556 0.001 0.000 0.368 451 H C -1.767 173.537 175.328 -0.039 0.000 1.164 451 H CA -1.070 54.945 56.048 -0.055 0.000 1.425 451 H CB 0.406 30.113 29.762 -0.092 0.000 1.414 451 H HN 0.533 nan 8.280 nan 0.000 0.614 452 P HA -0.208 nan 4.420 nan 0.000 0.217 452 P C 0.835 178.151 177.300 0.027 0.000 1.151 452 P CA 1.708 64.827 63.100 0.031 0.000 0.849 452 P CB 0.053 31.757 31.700 0.007 0.000 0.787 453 D N -2.142 118.279 120.400 0.036 0.000 2.349 453 D HA 0.066 4.706 4.640 0.001 0.000 0.224 453 D C 1.395 177.677 176.300 -0.030 0.000 1.029 453 D CA 0.729 54.728 54.000 -0.001 0.000 0.879 453 D CB -0.974 39.819 40.800 -0.011 0.000 0.906 453 D HN 0.248 nan 8.370 nan 0.000 0.528 454 G N -0.070 108.718 108.800 -0.019 0.000 2.175 454 G HA2 -0.275 3.686 3.960 0.001 0.000 0.244 454 G HA3 -0.275 3.686 3.960 0.001 0.000 0.244 454 G C 0.379 175.208 174.900 -0.117 0.000 0.982 454 G CA 0.335 45.403 45.100 -0.053 0.000 0.641 454 G HN 0.805 nan 8.290 nan 0.000 0.527 455 S N -0.033 115.566 115.700 -0.169 0.000 2.592 455 S HA 0.773 5.244 4.470 0.001 0.000 0.271 455 S C 0.470 174.768 174.600 -0.504 0.000 1.326 455 S CA 0.363 58.375 58.200 -0.313 0.000 1.024 455 S CB 2.098 65.112 63.200 -0.310 0.000 0.921 455 S HN 1.861 nan 8.310 nan 0.000 0.527 456 A N 1.296 123.655 122.820 -0.769 0.000 2.310 456 A HA 0.685 5.005 4.320 0.001 0.000 0.299 456 A C -0.324 176.693 177.584 -0.945 0.000 1.147 456 A CA -0.805 50.643 52.037 -0.982 0.000 0.818 456 A CB 0.763 18.740 19.000 -1.705 0.000 1.096 456 A HN 1.277 nan 8.150 nan 0.000 0.495 457 V N 3.583 123.146 119.914 -0.585 0.000 2.588 457 V HA 0.684 4.805 4.120 0.001 0.000 0.304 457 V C -1.156 174.849 176.094 -0.149 0.000 1.042 457 V CA -0.350 61.756 62.300 -0.324 0.000 0.877 457 V CB 1.810 33.564 31.823 -0.115 0.000 0.996 457 V HN 0.754 nan 8.190 nan 0.000 0.425 458 V N 6.749 126.665 119.914 0.002 0.000 2.577 458 V HA 0.539 4.660 4.120 0.001 0.000 0.303 458 V C -0.491 175.714 176.094 0.184 0.000 1.042 458 V CA -0.563 61.816 62.300 0.131 0.000 0.872 458 V CB 2.090 34.051 31.823 0.230 0.000 0.998 458 V HN 0.702 nan 8.190 nan 0.000 0.423 459 V N 5.295 125.273 119.914 0.108 0.000 2.483 459 V HA 0.603 4.724 4.120 0.001 0.000 0.295 459 V C -0.359 175.806 176.094 0.118 0.000 1.035 459 V CA -0.598 61.724 62.300 0.037 0.000 0.896 459 V CB 2.004 33.695 31.823 -0.219 0.000 0.986 459 V HN 0.596 nan 8.190 nan 0.000 0.447 460 V N 5.813 125.812 119.914 0.142 0.000 2.443 460 V HA 0.454 4.575 4.120 0.001 0.000 0.293 460 V C -0.611 175.526 176.094 0.071 0.000 1.021 460 V CA -0.518 61.861 62.300 0.132 0.000 0.848 460 V CB 1.646 33.581 31.823 0.187 0.000 0.998 460 V HN 0.675 nan 8.190 nan 0.000 0.424 461 L N 4.718 125.999 121.223 0.096 0.000 2.307 461 L HA 0.668 5.009 4.340 0.001 0.000 0.284 461 L C -0.271 176.657 176.870 0.096 0.000 1.023 461 L CA 0.112 55.020 54.840 0.113 0.000 0.810 461 L CB 1.558 43.732 42.059 0.192 0.000 1.231 461 L HN 0.621 nan 8.230 nan 0.000 0.423 462 N N 3.829 122.582 118.700 0.089 0.000 2.558 462 N HA 0.322 5.062 4.740 0.001 0.000 0.242 462 N C 0.219 175.800 175.510 0.119 0.000 0.979 462 N CA -0.245 52.838 53.050 0.054 0.000 0.931 462 N CB 0.778 39.253 38.487 -0.020 0.000 1.122 462 N HN 0.657 nan 8.380 nan 0.000 0.508 463 R N 0.452 121.014 120.500 0.102 0.000 2.313 463 R HA 0.058 4.399 4.340 0.001 0.000 0.199 463 R C 0.657 176.977 176.300 0.034 0.000 0.958 463 R CA 0.084 56.276 56.100 0.154 0.000 1.047 463 R CB 0.109 30.463 30.300 0.090 0.000 0.955 463 R HN 0.544 nan 8.270 nan 0.000 0.481 464 S N -0.613 114.992 115.700 -0.158 0.000 2.713 464 S HA 0.126 4.597 4.470 0.001 0.000 0.283 464 S C 1.188 175.323 174.600 -0.774 0.000 1.161 464 S CA -0.469 57.553 58.200 -0.297 0.000 0.999 464 S CB 1.864 64.974 63.200 -0.150 0.000 1.039 464 S HN 0.125 nan 8.310 nan 0.000 0.548 465 S N 0.098 115.409 115.700 -0.648 0.000 2.527 465 S HA 0.186 4.657 4.470 0.001 0.000 0.222 465 S C 0.246 174.667 174.600 -0.298 0.000 0.985 465 S CA -0.042 57.772 58.200 -0.642 0.000 0.921 465 S CB -0.546 62.571 63.200 -0.138 0.000 0.772 465 S HN 0.693 nan 8.310 nan 0.000 0.529 466 K N 2.121 122.393 120.400 -0.214 0.000 2.183 466 K HA 0.357 4.677 4.320 0.001 0.000 0.274 466 K C -1.241 175.298 176.600 -0.102 0.000 1.009 466 K CA -0.690 55.529 56.287 -0.113 0.000 0.888 466 K CB 0.686 33.140 32.500 -0.076 0.000 1.078 466 K HN 0.068 nan 8.250 nan 0.000 0.459 467 D N 1.642 122.003 120.400 -0.066 0.000 2.493 467 D HA 0.025 4.666 4.640 0.001 0.000 0.240 467 D C -0.609 175.670 176.300 -0.035 0.000 1.142 467 D CA 0.187 54.161 54.000 -0.044 0.000 0.872 467 D CB 0.743 41.530 40.800 -0.020 0.000 1.173 467 D HN 0.003 nan 8.370 nan 0.000 0.467 468 V N 5.211 125.106 119.914 -0.032 0.000 2.378 468 V HA 0.299 4.420 4.120 0.001 0.000 0.288 468 V C -2.125 173.965 176.094 -0.007 0.000 1.016 468 V CA -1.675 60.613 62.300 -0.021 0.000 0.840 468 V CB 1.679 33.488 31.823 -0.024 0.000 0.994 468 V HN 0.452 nan 8.190 nan 0.000 0.431 469 P HA 0.369 nan 4.420 nan 0.000 0.271 469 P C -0.974 176.329 177.300 0.005 0.000 1.218 469 P CA -0.290 62.815 63.100 0.008 0.000 0.780 469 P CB 1.410 33.116 31.700 0.009 0.000 0.901 470 L N 2.254 123.477 121.223 0.001 0.000 2.482 470 L HA 0.531 4.871 4.340 0.001 0.000 0.263 470 L C -0.997 175.846 176.870 -0.045 0.000 0.957 470 L CA -0.029 54.799 54.840 -0.021 0.000 0.836 470 L CB 2.115 44.152 42.059 -0.037 0.000 1.324 470 L HN 0.285 nan 8.230 nan 0.000 0.406 471 T N 5.465 119.994 114.554 -0.041 0.000 2.856 471 T HA 0.697 5.048 4.350 0.001 0.000 0.283 471 T C -0.350 174.256 174.700 -0.157 0.000 1.008 471 T CA -0.213 61.830 62.100 -0.095 0.000 0.997 471 T CB 1.312 70.145 68.868 -0.057 0.000 0.992 471 T HN 0.450 nan 8.240 nan 0.000 0.454 472 I N 2.477 122.884 120.570 -0.272 0.000 2.389 472 I HA 0.415 4.585 4.170 0.001 0.000 0.288 472 I C 0.097 176.000 176.117 -0.356 0.000 0.999 472 I CA -0.784 60.331 61.300 -0.308 0.000 1.129 472 I CB 1.586 39.316 38.000 -0.449 0.000 1.288 472 I HN 0.328 nan 8.210 nan 0.000 0.444 473 K N 5.474 125.690 120.400 -0.306 0.000 2.213 473 K HA 0.239 4.559 4.320 0.001 0.000 0.270 473 K C -1.117 175.281 176.600 -0.336 0.000 1.002 473 K CA -0.501 55.484 56.287 -0.503 0.000 0.868 473 K CB 1.163 33.343 32.500 -0.533 0.000 1.093 473 K HN 0.487 nan 8.250 nan 0.000 0.454 474 D N 5.978 126.152 120.400 -0.375 0.000 2.392 474 D HA 0.222 4.863 4.640 0.001 0.000 0.228 474 D C -1.922 174.259 176.300 -0.198 0.000 1.074 474 D CA -2.424 51.501 54.000 -0.124 0.000 0.838 474 D CB 1.974 42.815 40.800 0.068 0.000 1.067 474 D HN 0.288 nan 8.370 nan 0.000 0.511 475 P HA -0.093 nan 4.420 nan 0.000 0.218 475 P C 0.757 178.009 177.300 -0.079 0.000 1.146 475 P CA 1.015 64.040 63.100 -0.125 0.000 0.813 475 P CB 0.337 32.001 31.700 -0.060 0.000 0.778 476 A N -1.668 121.134 122.820 -0.030 0.000 2.123 476 A HA 0.057 4.378 4.320 0.001 0.000 0.214 476 A C 1.859 179.442 177.584 -0.001 0.000 1.152 476 A CA 1.172 53.211 52.037 0.003 0.000 0.728 476 A CB -0.514 18.512 19.000 0.043 0.000 0.814 476 A HN 0.092 nan 8.150 nan 0.000 0.464 477 V N -2.821 117.066 119.914 -0.044 0.000 3.159 477 V HA 0.530 4.651 4.120 0.001 0.000 0.234 477 V C 1.195 177.213 176.094 -0.125 0.000 1.313 477 V CA 0.629 62.897 62.300 -0.054 0.000 1.271 477 V CB -0.204 31.605 31.823 -0.023 0.000 1.053 477 V HN 0.949 nan 8.190 nan 0.000 0.476 478 G N 0.221 108.862 108.800 -0.265 0.000 2.247 478 G HA2 0.107 4.067 3.960 0.001 0.000 0.229 478 G HA3 0.107 4.067 3.960 0.001 0.000 0.229 478 G C -1.710 172.858 174.900 -0.553 0.000 1.345 478 G CA -0.621 44.280 45.100 -0.331 0.000 1.100 478 G HN 0.061 nan 8.290 nan 0.000 0.473 479 F N 0.552 120.375 119.950 -0.212 0.000 2.467 479 F HA 0.694 5.221 4.527 0.001 0.000 0.336 479 F C 0.380 176.005 175.800 -0.291 0.000 1.123 479 F CA -0.607 57.218 58.000 -0.291 0.000 0.964 479 F CB 2.153 40.975 39.000 -0.296 0.000 1.136 479 F HN 0.398 nan 8.300 nan 0.000 0.447 480 L N 4.670 125.732 121.223 -0.269 0.000 2.264 480 L HA 0.414 4.754 4.340 0.001 0.000 0.287 480 L C -0.531 176.176 176.870 -0.271 0.000 1.039 480 L CA -0.433 54.184 54.840 -0.371 0.000 0.829 480 L CB 0.331 41.920 42.059 -0.784 0.000 1.211 480 L HN 0.517 nan 8.230 nan 0.000 0.427 481 E N 3.497 123.630 120.200 -0.112 0.000 2.200 481 E HA 0.359 4.710 4.350 0.001 0.000 0.283 481 E C -0.450 176.129 176.600 -0.034 0.000 1.015 481 E CA -0.044 56.323 56.400 -0.055 0.000 0.819 481 E CB 2.087 31.795 29.700 0.014 0.000 1.081 481 E HN 0.547 nan 8.360 nan 0.000 0.397 482 T N 1.814 116.348 114.554 -0.033 0.000 2.671 482 T HA 0.680 5.031 4.350 0.001 0.000 0.300 482 T C -1.410 173.330 174.700 0.068 0.000 1.238 482 T CA -0.518 61.608 62.100 0.043 0.000 1.020 482 T CB 0.933 69.813 68.868 0.019 0.000 1.503 482 T HN 0.340 nan 8.240 nan 0.000 0.497 483 I N 1.675 122.326 120.570 0.134 0.000 2.569 483 I HA 0.410 4.581 4.170 0.001 0.000 0.290 483 I C -0.397 175.785 176.117 0.109 0.000 1.088 483 I CA -0.794 60.562 61.300 0.093 0.000 1.047 483 I CB 2.300 40.350 38.000 0.083 0.000 1.237 483 I HN 0.512 nan 8.210 nan 0.000 0.421 484 S N 7.450 123.152 115.700 0.003 0.000 2.409 484 S HA 0.448 4.919 4.470 0.001 0.000 0.308 484 S C -2.396 172.141 174.600 -0.104 0.000 1.080 484 S CA -1.443 56.670 58.200 -0.144 0.000 1.081 484 S CB 0.196 63.327 63.200 -0.115 0.000 1.009 484 S HN 0.202 nan 8.310 nan 0.000 0.502 485 P HA 0.150 nan 4.420 nan 0.000 0.268 485 P C 0.339 177.600 177.300 -0.065 0.000 1.208 485 P CA -0.065 63.013 63.100 -0.036 0.000 0.777 485 P CB 0.309 32.021 31.700 0.020 0.000 0.875 486 G N 1.244 109.990 108.800 -0.090 0.000 2.414 486 G HA2 0.035 3.995 3.960 0.001 0.000 0.236 486 G HA3 0.035 3.995 3.960 0.001 0.000 0.236 486 G C -0.674 174.156 174.900 -0.117 0.000 1.293 486 G CA -0.178 44.797 45.100 -0.208 0.000 0.869 486 G HN 0.606 nan 8.290 nan 0.000 0.556 487 Y N -0.275 120.071 120.300 0.077 0.000 3.078 487 Y HA -0.250 4.301 4.550 0.001 0.000 0.202 487 Y C 1.229 177.219 175.900 0.149 0.000 1.322 487 Y CA 0.536 58.725 58.100 0.149 0.000 1.118 487 Y CB -1.869 36.522 38.460 -0.115 0.000 1.343 487 Y HN 0.914 nan 8.280 nan 0.000 0.499 488 S N -0.083 115.818 115.700 0.336 0.000 2.632 488 S HA 0.896 5.366 4.470 0.001 0.000 0.289 488 S C -0.808 173.944 174.600 0.253 0.000 1.115 488 S CA -0.863 57.509 58.200 0.288 0.000 0.889 488 S CB 3.247 66.478 63.200 0.053 0.000 1.116 488 S HN 0.454 nan 8.310 nan 0.000 0.486 489 I N 0.992 121.646 120.570 0.141 0.000 2.569 489 I HA 0.519 4.690 4.170 0.001 0.000 0.290 489 I C -1.479 174.585 176.117 -0.088 0.000 1.088 489 I CA -0.526 60.691 61.300 -0.138 0.000 1.047 489 I CB 1.681 39.400 38.000 -0.469 0.000 1.237 489 I HN 0.911 nan 8.210 nan 0.000 0.421 490 H N 4.395 123.367 119.070 -0.163 0.000 2.572 490 H HA 0.480 5.036 4.556 0.001 0.000 0.359 490 H C -1.000 174.269 175.328 -0.098 0.000 1.134 490 H CA -0.983 54.996 56.048 -0.114 0.000 1.187 490 H CB 2.254 31.914 29.762 -0.170 0.000 1.597 490 H HN 0.413 nan 8.280 nan 0.000 0.524 491 T N 3.123 117.695 114.554 0.030 0.000 2.786 491 T HA 0.250 4.601 4.350 0.001 0.000 0.283 491 T C -0.952 173.578 174.700 -0.283 0.000 0.992 491 T CA -0.656 61.376 62.100 -0.113 0.000 0.954 491 T CB 0.335 69.043 68.868 -0.268 0.000 0.934 491 T HN 0.301 nan 8.240 nan 0.000 0.440 492 Y N 2.407 122.730 120.300 0.038 0.000 2.360 492 Y HA 0.686 5.237 4.550 0.001 0.000 0.337 492 Y C -0.175 175.788 175.900 0.105 0.000 1.039 492 Y CA -1.173 57.016 58.100 0.148 0.000 1.109 492 Y CB 1.115 39.715 38.460 0.235 0.000 1.201 492 Y HN 0.415 nan 8.280 nan 0.000 0.458 493 L N 3.205 124.624 121.223 0.325 0.000 2.401 493 L HA 0.608 4.949 4.340 0.001 0.000 0.266 493 L C -1.363 175.700 176.870 0.322 0.000 0.991 493 L CA -0.520 54.352 54.840 0.052 0.000 0.818 493 L CB 1.737 43.701 42.059 -0.157 0.000 1.321 493 L HN 0.785 nan 8.230 nan 0.000 0.413 494 W N 0.434 121.715 121.300 -0.032 0.000 3.248 494 W HA 0.574 5.234 4.660 0.001 0.000 0.311 494 W C -1.222 175.342 176.519 0.075 0.000 1.258 494 W CA -0.770 56.594 57.345 0.031 0.000 1.191 494 W CB 0.330 29.842 29.460 0.087 0.000 1.389 494 W HN 0.308 nan 8.180 nan 0.000 0.561 495 H N 2.044 121.217 119.070 0.171 0.000 2.732 495 H HA 0.338 4.894 4.556 0.001 0.000 0.351 495 H C 0.931 176.378 175.328 0.198 0.000 1.090 495 H CA -0.334 55.765 56.048 0.085 0.000 1.431 495 H CB 1.294 31.118 29.762 0.103 0.000 1.447 495 H HN 0.508 nan 8.280 nan 0.000 0.582 496 R N 1.068 121.691 120.500 0.206 0.000 2.362 496 R HA 0.092 4.433 4.340 0.001 0.000 0.227 496 R C 0.131 176.510 176.300 0.131 0.000 0.905 496 R CA 0.094 56.309 56.100 0.191 0.000 1.067 496 R CB 0.645 30.996 30.300 0.086 0.000 1.078 496 R HN 0.745 nan 8.270 nan 0.000 0.516 497 Q N 0.000 119.868 119.800 0.113 0.000 2.315 497 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 497 Q CA 0.000 55.854 55.803 0.085 0.000 1.022 497 Q CB 0.000 28.764 28.738 0.043 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481