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 2wk6_1_B DATA FIRST_RESID 35 DATA SEQUENCE QLPELIRMKR DGGRLSEADI RGFVAAVVNG SAQGAQIGAM LMAIRLRGMD DATA SEQUENCE LEETSVLTQA LAQSGQQLEW PEAWRQQLVD KHSTGGVGDK VSLVLAPALA DATA SEQUENCE ACGCKVPMIS GRGLGHTGGT LDKLESIPGF NVIQSPEQMQ VLLDQAGCCI DATA SEQUENCE VGQSEQLVPA DGILYAARDV TATVDSLPLI TASILSKKLV EGLSALVVDV DATA SEQUENCE KFGGAAVFPN QEQARELAKT LVGVGASLGL RVAAALTAMD KPLGRCVGHA DATA SEQUENCE LEVEEALLCM DGAGPPDLRD LVTTLGGALL WLSGHAGTQA QGAARVAAAL DATA SEQUENCE DDGSALGRFE RMLAAQGVDP GLARALCSGS PAERRQLLPR AREQEELLAP DATA SEQUENCE ADGTVELVRA LPLALVLHEL GAGRSRAGEP LRLGVGAELL VDVGQRLRRG DATA SEQUENCE TPWLRVHRDG PALSGPQSRA LQEALVLSDR APFAAPSPFA ELVLPPQ 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 35 Q HA 0.000 nan 4.340 nan 0.000 0.214 35 Q C 0.000 176.034 176.000 0.056 0.000 1.003 35 Q CA 0.000 55.828 55.803 0.042 0.000 1.022 35 Q CB 0.000 28.757 28.738 0.032 0.000 1.108 36 L N 1.419 122.687 121.223 0.074 0.000 1.997 36 L HA -0.169 4.171 4.340 0.000 0.000 0.216 36 L C -0.671 176.240 176.870 0.069 0.000 1.074 36 L CA 2.828 57.731 54.840 0.105 0.000 0.763 36 L CB -1.839 40.291 42.059 0.118 0.000 0.890 36 L HN 0.537 nan 8.230 nan 0.000 0.434 37 P HA -0.202 nan 4.420 nan 0.000 0.216 37 P C 1.593 178.904 177.300 0.019 0.000 1.153 37 P CA 1.481 64.600 63.100 0.032 0.000 0.858 37 P CB 0.050 31.766 31.700 0.026 0.000 0.789 38 E N -0.452 119.760 120.200 0.020 0.000 2.072 38 E HA -0.124 4.226 4.350 0.000 0.000 0.190 38 E C 1.972 178.573 176.600 0.002 0.000 0.982 38 E CA 0.685 57.091 56.400 0.011 0.000 0.803 38 E CB -0.514 29.194 29.700 0.013 0.000 0.755 38 E HN 0.114 nan 8.360 nan 0.000 0.453 39 L N 0.764 121.992 121.223 0.008 0.000 2.043 39 L HA -0.241 4.100 4.340 0.000 0.000 0.212 39 L C 2.526 179.362 176.870 -0.057 0.000 1.075 39 L CA 1.143 55.974 54.840 -0.015 0.000 0.752 39 L CB -0.422 41.644 42.059 0.010 0.000 0.891 39 L HN 0.268 nan 8.230 nan 0.000 0.432 40 I N -0.805 119.736 120.570 -0.047 0.000 2.252 40 I HA -0.288 3.883 4.170 0.000 0.000 0.245 40 I C 2.842 178.932 176.117 -0.044 0.000 1.102 40 I CA 1.111 62.372 61.300 -0.065 0.000 1.385 40 I CB -0.400 37.582 38.000 -0.030 0.000 1.064 40 I HN 0.235 nan 8.210 nan 0.000 0.414 41 R N 1.084 121.570 120.500 -0.023 0.000 2.096 41 R HA -0.180 4.160 4.340 0.000 0.000 0.235 41 R C 2.325 178.612 176.300 -0.021 0.000 1.127 41 R CA 1.577 57.667 56.100 -0.017 0.000 0.968 41 R CB -0.139 30.157 30.300 -0.007 0.000 0.861 41 R HN 0.301 nan 8.270 nan 0.000 0.440 42 M N 0.164 119.749 119.600 -0.025 0.000 2.067 42 M HA -0.178 4.302 4.480 0.000 0.000 0.260 42 M C 2.348 178.629 176.300 -0.033 0.000 1.069 42 M CA 1.804 57.089 55.300 -0.025 0.000 1.117 42 M CB -0.262 32.323 32.600 -0.024 0.000 1.334 42 M HN -0.046 nan 8.290 nan 0.000 0.407 43 K N 0.590 120.959 120.400 -0.051 0.000 2.097 43 K HA -0.116 4.204 4.320 0.000 0.000 0.205 43 K C 2.023 178.597 176.600 -0.044 0.000 1.050 43 K CA 1.326 57.578 56.287 -0.058 0.000 0.938 43 K CB -0.249 32.192 32.500 -0.097 0.000 0.718 43 K HN 0.124 nan 8.250 nan 0.000 0.442 44 R N 0.298 120.773 120.500 -0.040 0.000 2.105 44 R HA -0.140 4.200 4.340 0.000 0.000 0.239 44 R C 0.533 176.822 176.300 -0.019 0.000 1.135 44 R CA 2.017 58.100 56.100 -0.027 0.000 0.967 44 R CB -0.210 30.076 30.300 -0.022 0.000 0.861 44 R HN 0.232 nan 8.270 nan 0.000 0.442 45 D N -1.440 118.949 120.400 -0.018 0.000 2.340 45 D HA 0.100 4.740 4.640 0.000 0.000 0.220 45 D C 0.921 177.213 176.300 -0.013 0.000 1.039 45 D CA 1.051 55.043 54.000 -0.013 0.000 0.866 45 D CB 0.787 41.581 40.800 -0.011 0.000 0.913 45 D HN 0.568 nan 8.370 nan 0.000 0.523 46 G N -0.024 108.766 108.800 -0.017 0.000 2.179 46 G HA2 -0.154 3.806 3.960 0.000 0.000 0.220 46 G HA3 -0.154 3.806 3.960 0.000 0.000 0.220 46 G C 0.744 175.634 174.900 -0.016 0.000 0.990 46 G CA -0.126 44.965 45.100 -0.015 0.000 0.646 46 G HN 0.576 nan 8.290 nan 0.000 0.517 47 G N -0.067 108.722 108.800 -0.018 0.000 2.572 47 G HA2 0.628 4.589 3.960 0.000 0.000 0.261 47 G HA3 0.628 4.589 3.960 0.000 0.000 0.261 47 G C 0.408 175.295 174.900 -0.021 0.000 1.197 47 G CA 0.031 45.121 45.100 -0.016 0.000 0.870 47 G HN 0.917 nan 8.290 nan 0.000 0.548 48 R N -0.323 120.167 120.500 -0.016 0.000 2.596 48 R HA 0.623 4.964 4.340 0.000 0.000 0.267 48 R C -0.795 175.494 176.300 -0.018 0.000 1.026 48 R CA -0.876 55.214 56.100 -0.017 0.000 1.087 48 R CB 1.023 31.317 30.300 -0.009 0.000 1.132 48 R HN 0.310 nan 8.270 nan 0.000 0.531 49 L N 1.744 122.956 121.223 -0.019 0.000 2.309 49 L HA 0.298 4.638 4.340 0.000 0.000 0.282 49 L C 0.529 177.400 176.870 0.002 0.000 1.036 49 L CA -0.899 53.932 54.840 -0.014 0.000 0.806 49 L CB 1.877 43.919 42.059 -0.029 0.000 1.220 49 L HN 0.936 nan 8.230 nan 0.000 0.429 50 S N 0.566 116.271 115.700 0.009 0.000 2.600 50 S HA 0.020 4.491 4.470 0.000 0.000 0.265 50 S C 0.958 175.572 174.600 0.023 0.000 1.325 50 S CA -0.275 57.933 58.200 0.014 0.000 1.002 50 S CB 1.114 64.323 63.200 0.014 0.000 0.921 50 S HN 0.807 nan 8.310 nan 0.000 0.554 51 E N 1.084 121.298 120.200 0.023 0.000 2.160 51 E HA -0.175 4.175 4.350 0.000 0.000 0.195 51 E C 1.960 178.581 176.600 0.036 0.000 0.991 51 E CA 1.218 57.636 56.400 0.029 0.000 0.810 51 E CB -0.584 29.130 29.700 0.024 0.000 0.742 51 E HN 0.831 nan 8.360 nan 0.000 0.466 52 A N 0.914 123.753 122.820 0.031 0.000 1.968 52 A HA -0.150 4.170 4.320 0.000 0.000 0.217 52 A C 1.728 179.341 177.584 0.047 0.000 1.169 52 A CA 1.428 53.485 52.037 0.034 0.000 0.638 52 A CB -0.215 18.800 19.000 0.026 0.000 0.812 52 A HN 0.263 nan 8.150 nan 0.000 0.446 53 D N 0.311 120.739 120.400 0.047 0.000 2.084 53 D HA -0.100 4.540 4.640 0.000 0.000 0.196 53 D C 1.908 178.271 176.300 0.105 0.000 0.985 53 D CA 1.252 55.289 54.000 0.062 0.000 0.826 53 D CB -0.355 40.465 40.800 0.034 0.000 0.978 53 D HN 0.492 nan 8.370 nan 0.000 0.456 54 I N 0.816 121.442 120.570 0.093 0.000 2.163 54 I HA -0.244 3.926 4.170 0.000 0.000 0.243 54 I C 2.529 178.743 176.117 0.161 0.000 1.085 54 I CA 1.121 62.505 61.300 0.141 0.000 1.347 54 I CB -0.156 37.899 38.000 0.093 0.000 1.044 54 I HN -0.109 nan 8.210 nan 0.000 0.408 55 R N 0.561 121.119 120.500 0.097 0.000 2.115 55 R HA -0.078 4.263 4.340 0.000 0.000 0.230 55 R C 2.397 178.736 176.300 0.065 0.000 1.111 55 R CA 1.208 57.349 56.100 0.068 0.000 0.976 55 R CB -0.538 29.788 30.300 0.044 0.000 0.870 55 R HN 0.472 nan 8.270 nan 0.000 0.445 56 G N 0.565 109.417 108.800 0.086 0.000 2.404 56 G HA2 -0.286 3.674 3.960 0.000 0.000 0.215 56 G HA3 -0.286 3.674 3.960 0.000 0.000 0.215 56 G C 1.183 176.143 174.900 0.101 0.000 1.174 56 G CA 0.264 45.411 45.100 0.079 0.000 0.780 56 G HN 0.272 nan 8.290 nan 0.000 0.537 57 F N 1.497 121.454 119.950 0.011 0.000 2.102 57 F HA -0.062 4.465 4.527 0.000 0.000 0.298 57 F C 2.624 178.432 175.800 0.014 0.000 1.105 57 F CA 1.304 59.312 58.000 0.012 0.000 1.239 57 F CB -0.376 38.633 39.000 0.014 0.000 0.991 57 F HN -0.003 nan 8.300 nan 0.000 0.474 58 V N 0.717 120.574 119.914 -0.094 0.000 2.343 58 V HA -0.298 3.822 4.120 0.000 0.000 0.247 58 V C 2.770 178.755 176.094 -0.182 0.000 1.051 58 V CA 1.812 64.002 62.300 -0.183 0.000 1.036 58 V CB -1.627 30.194 31.823 -0.002 0.000 0.654 58 V HN 0.499 nan 8.190 nan 0.000 0.451 59 A N -0.188 122.571 122.820 -0.102 0.000 1.969 59 A HA -0.003 4.317 4.320 0.000 0.000 0.218 59 A C 2.360 179.878 177.584 -0.110 0.000 1.169 59 A CA 1.737 53.727 52.037 -0.079 0.000 0.635 59 A CB -0.565 18.413 19.000 -0.036 0.000 0.810 59 A HN 0.559 nan 8.150 nan 0.000 0.445 60 A N -0.778 121.951 122.820 -0.151 0.000 2.014 60 A HA 0.127 4.448 4.320 0.000 0.000 0.218 60 A C 2.133 179.590 177.584 -0.212 0.000 1.163 60 A CA 1.476 53.423 52.037 -0.149 0.000 0.652 60 A CB -0.534 18.397 19.000 -0.115 0.000 0.808 60 A HN 0.309 nan 8.150 nan 0.000 0.449 61 V N -0.693 119.011 119.914 -0.349 0.000 2.407 61 V HA -0.154 3.967 4.120 0.000 0.000 0.245 61 V C 2.506 178.501 176.094 -0.165 0.000 1.041 61 V CA 1.813 63.922 62.300 -0.318 0.000 1.040 61 V CB -0.258 31.295 31.823 -0.450 0.000 0.671 61 V HN 0.356 nan 8.190 nan 0.000 0.455 62 V N 1.841 121.671 119.914 -0.140 0.000 2.548 62 V HA -0.181 3.939 4.120 0.000 0.000 0.249 62 V C 1.900 177.956 176.094 -0.062 0.000 1.055 62 V CA 2.118 64.368 62.300 -0.082 0.000 1.065 62 V CB -0.922 30.862 31.823 -0.066 0.000 0.681 62 V HN 0.897 nan 8.190 nan 0.000 0.462 63 N N -0.613 118.047 118.700 -0.066 0.000 2.280 63 N HA 0.200 4.941 4.740 0.000 0.000 0.192 63 N C 1.408 176.894 175.510 -0.040 0.000 1.109 63 N CA 0.849 53.872 53.050 -0.046 0.000 0.855 63 N CB 1.042 39.505 38.487 -0.039 0.000 0.974 63 N HN 0.411 nan 8.380 nan 0.000 0.482 64 G N 0.801 109.572 108.800 -0.049 0.000 2.254 64 G HA2 -0.376 3.585 3.960 0.000 0.000 0.225 64 G HA3 -0.376 3.585 3.960 0.000 0.000 0.225 64 G C 1.105 175.987 174.900 -0.030 0.000 1.003 64 G CA 0.400 45.479 45.100 -0.035 0.000 0.622 64 G HN 0.454 nan 8.290 nan 0.000 0.507 65 S N 0.585 116.265 115.700 -0.033 0.000 2.400 65 S HA 0.333 4.803 4.470 0.000 0.000 0.232 65 S C 1.566 176.157 174.600 -0.015 0.000 1.025 65 S CA 1.488 59.676 58.200 -0.019 0.000 0.993 65 S CB -0.180 63.010 63.200 -0.016 0.000 0.808 65 S HN 1.935 nan 8.310 nan 0.000 0.478 66 A N 2.264 125.060 122.820 -0.039 0.000 2.404 66 A HA 0.378 4.698 4.320 0.000 0.000 0.273 66 A C 0.334 177.916 177.584 -0.004 0.000 1.144 66 A CA -0.522 51.502 52.037 -0.023 0.000 0.806 66 A CB 0.103 19.041 19.000 -0.104 0.000 1.080 66 A HN 0.499 nan 8.150 nan 0.000 0.509 67 Q N 1.535 121.349 119.800 0.023 0.000 2.256 67 Q HA 0.403 4.743 4.340 0.000 0.000 0.232 67 Q C 1.581 177.602 176.000 0.035 0.000 0.965 67 Q CA -0.062 55.755 55.803 0.023 0.000 0.908 67 Q CB 0.808 29.561 28.738 0.026 0.000 1.209 67 Q HN 0.825 nan 8.270 nan 0.000 0.489 68 G N 0.860 109.678 108.800 0.030 0.000 2.553 68 G HA2 -0.368 3.592 3.960 0.000 0.000 0.218 68 G HA3 -0.368 3.592 3.960 0.000 0.000 0.218 68 G C 1.322 176.252 174.900 0.049 0.000 1.195 68 G CA 1.152 46.275 45.100 0.038 0.000 0.779 68 G HN 0.714 nan 8.290 nan 0.000 0.577 69 A N 0.070 122.916 122.820 0.043 0.000 1.978 69 A HA -0.114 4.206 4.320 0.000 0.000 0.220 69 A C 2.362 179.982 177.584 0.060 0.000 1.170 69 A CA 2.078 54.142 52.037 0.045 0.000 0.636 69 A CB -0.374 18.647 19.000 0.035 0.000 0.810 69 A HN 0.541 nan 8.150 nan 0.000 0.448 70 Q N -0.923 118.922 119.800 0.075 0.000 2.123 70 Q HA -0.056 4.284 4.340 0.000 0.000 0.199 70 Q C 1.878 177.983 176.000 0.175 0.000 0.966 70 Q CA 0.933 56.803 55.803 0.111 0.000 0.845 70 Q CB -0.196 28.613 28.738 0.119 0.000 0.907 70 Q HN 0.562 nan 8.270 nan 0.000 0.439 71 I N 0.592 121.266 120.570 0.173 0.000 2.226 71 I HA -0.146 4.025 4.170 0.000 0.000 0.245 71 I C 2.303 178.520 176.117 0.167 0.000 1.100 71 I CA 1.596 63.036 61.300 0.232 0.000 1.374 71 I CB -1.633 36.448 38.000 0.135 0.000 1.057 71 I HN 0.226 nan 8.210 nan 0.000 0.413 72 G N 0.328 109.189 108.800 0.101 0.000 2.402 72 G HA2 -0.152 3.809 3.960 0.000 0.000 0.216 72 G HA3 -0.152 3.809 3.960 0.000 0.000 0.216 72 G C 1.857 176.787 174.900 0.049 0.000 1.162 72 G CA 0.942 46.082 45.100 0.067 0.000 0.777 72 G HN 0.484 nan 8.290 nan 0.000 0.539 73 A N 0.462 123.311 122.820 0.048 0.000 1.877 73 A HA 0.004 4.325 4.320 0.000 0.000 0.216 73 A C 2.400 179.980 177.584 -0.006 0.000 1.186 73 A CA 2.036 54.086 52.037 0.022 0.000 0.620 73 A CB -0.425 18.590 19.000 0.024 0.000 0.822 73 A HN 0.283 nan 8.150 nan 0.000 0.443 74 M N -0.315 119.275 119.600 -0.016 0.000 2.065 74 M HA -0.113 4.367 4.480 0.000 0.000 0.259 74 M C 2.196 178.434 176.300 -0.102 0.000 1.069 74 M CA 1.536 56.751 55.300 -0.142 0.000 1.110 74 M CB -1.296 31.091 32.600 -0.355 0.000 1.328 74 M HN 0.443 nan 8.290 nan 0.000 0.405 75 L N -1.060 120.155 121.223 -0.012 0.000 2.012 75 L HA -0.276 4.064 4.340 0.000 0.000 0.210 75 L C 2.547 179.415 176.870 -0.004 0.000 1.073 75 L CA 1.292 56.137 54.840 0.008 0.000 0.748 75 L CB -0.669 41.419 42.059 0.049 0.000 0.891 75 L HN 0.303 nan 8.230 nan 0.000 0.431 76 M N -0.073 119.527 119.600 0.000 0.000 2.132 76 M HA -0.110 4.370 4.480 0.000 0.000 0.263 76 M C 2.261 178.555 176.300 -0.010 0.000 1.065 76 M CA 1.988 57.288 55.300 0.000 0.000 1.122 76 M CB -0.522 32.081 32.600 0.005 0.000 1.365 76 M HN 0.176 nan 8.290 nan 0.000 0.411 77 A N 0.225 123.030 122.820 -0.025 0.000 1.883 77 A HA -0.156 4.164 4.320 0.000 0.000 0.217 77 A C 2.234 179.798 177.584 -0.034 0.000 1.186 77 A CA 2.117 54.134 52.037 -0.034 0.000 0.624 77 A CB -1.160 17.807 19.000 -0.055 0.000 0.822 77 A HN 0.589 nan 8.150 nan 0.000 0.444 78 I N -0.974 119.567 120.570 -0.047 0.000 2.226 78 I HA -0.258 3.912 4.170 0.000 0.000 0.245 78 I C 2.659 178.774 176.117 -0.004 0.000 1.100 78 I CA 1.771 63.050 61.300 -0.036 0.000 1.374 78 I CB -0.251 37.720 38.000 -0.048 0.000 1.057 78 I HN 0.322 nan 8.210 nan 0.000 0.413 79 R N 1.438 121.941 120.500 0.004 0.000 2.127 79 R HA -0.111 4.229 4.340 0.000 0.000 0.238 79 R C 1.833 178.148 176.300 0.026 0.000 1.134 79 R CA 1.712 57.827 56.100 0.025 0.000 0.975 79 R CB -0.469 29.844 30.300 0.021 0.000 0.865 79 R HN 0.362 nan 8.270 nan 0.000 0.447 80 L N -0.696 120.534 121.223 0.011 0.000 2.513 80 L HA 0.197 4.537 4.340 0.000 0.000 0.222 80 L C 1.305 178.177 176.870 0.004 0.000 1.096 80 L CA 0.150 54.996 54.840 0.010 0.000 0.857 80 L CB 0.096 42.158 42.059 0.005 0.000 1.026 80 L HN 0.040 nan 8.230 nan 0.000 0.469 81 R N -0.041 120.458 120.500 -0.003 0.000 2.476 81 R HA 0.354 4.694 4.340 0.000 0.000 0.276 81 R C 0.744 177.040 176.300 -0.007 0.000 0.941 81 R CA 0.509 56.605 56.100 -0.007 0.000 1.088 81 R CB 0.171 30.462 30.300 -0.015 0.000 1.216 81 R HN 0.187 nan 8.270 nan 0.000 0.533 82 G N 1.854 110.653 108.800 -0.001 0.000 2.806 82 G HA2 -0.293 3.667 3.960 0.000 0.000 0.236 82 G HA3 -0.293 3.667 3.960 0.000 0.000 0.236 82 G C -0.324 174.573 174.900 -0.005 0.000 1.387 82 G CA -0.012 45.089 45.100 0.003 0.000 0.884 82 G HN 0.128 nan 8.290 nan 0.000 0.560 83 M N 0.356 119.956 119.600 0.000 0.000 2.618 83 M HA 0.417 4.898 4.480 0.000 0.000 0.281 83 M C -0.798 175.503 176.300 0.001 0.000 1.267 83 M CA -0.706 54.592 55.300 -0.002 0.000 0.845 83 M CB 2.403 35.005 32.600 0.002 0.000 1.732 83 M HN 0.886 nan 8.290 nan 0.000 0.461 84 D N 0.070 120.471 120.400 0.001 0.000 2.437 84 D HA 0.382 5.022 4.640 0.000 0.000 0.259 84 D C 0.789 177.094 176.300 0.007 0.000 1.118 84 D CA -0.724 53.276 54.000 0.002 0.000 1.017 84 D CB 0.868 41.668 40.800 -0.001 0.000 1.120 84 D HN 0.571 nan 8.370 nan 0.000 0.541 85 L N -0.680 120.547 121.223 0.007 0.000 2.051 85 L HA -0.233 4.107 4.340 0.000 0.000 0.214 85 L C 2.366 179.245 176.870 0.015 0.000 1.076 85 L CA 1.891 56.738 54.840 0.012 0.000 0.758 85 L CB -0.384 41.681 42.059 0.010 0.000 0.890 85 L HN 0.658 nan 8.230 nan 0.000 0.433 86 E N -0.050 120.157 120.200 0.012 0.000 2.047 86 E HA -0.226 4.124 4.350 0.000 0.000 0.191 86 E C 1.981 178.592 176.600 0.017 0.000 0.987 86 E CA 1.233 57.642 56.400 0.014 0.000 0.799 86 E CB 0.099 29.806 29.700 0.011 0.000 0.752 86 E HN 0.493 nan 8.360 nan 0.000 0.449 87 E N -0.151 120.057 120.200 0.014 0.000 2.038 87 E HA -0.191 4.159 4.350 0.000 0.000 0.195 87 E C 2.216 178.830 176.600 0.025 0.000 1.000 87 E CA 1.766 58.176 56.400 0.016 0.000 0.803 87 E CB -0.282 29.422 29.700 0.007 0.000 0.750 87 E HN 0.262 nan 8.360 nan 0.000 0.448 88 T N 0.880 115.448 114.554 0.024 0.000 2.624 88 T HA -0.251 4.099 4.350 0.000 0.000 0.268 88 T C 2.099 176.821 174.700 0.035 0.000 1.041 88 T CA 1.750 63.870 62.100 0.033 0.000 1.159 88 T CB -0.465 68.422 68.868 0.032 0.000 0.863 88 T HN 0.144 nan 8.240 nan 0.000 0.434 89 S N 0.242 115.960 115.700 0.030 0.000 2.370 89 S HA -0.130 4.340 4.470 0.000 0.000 0.226 89 S C 2.131 176.750 174.600 0.032 0.000 1.033 89 S CA 1.409 59.627 58.200 0.030 0.000 1.011 89 S CB -0.534 62.681 63.200 0.025 0.000 0.852 89 S HN 0.321 nan 8.310 nan 0.000 0.457 90 V N 1.833 121.767 119.914 0.032 0.000 2.427 90 V HA -0.067 4.054 4.120 0.000 0.000 0.248 90 V C 2.385 178.507 176.094 0.046 0.000 1.051 90 V CA 1.555 63.876 62.300 0.036 0.000 1.048 90 V CB -0.622 31.221 31.823 0.034 0.000 0.666 90 V HN 0.494 nan 8.190 nan 0.000 0.456 91 L N -0.207 121.048 121.223 0.052 0.000 1.994 91 L HA -0.191 4.149 4.340 0.000 0.000 0.208 91 L C 2.674 179.581 176.870 0.062 0.000 1.071 91 L CA 2.295 57.177 54.840 0.070 0.000 0.745 91 L CB -0.664 41.438 42.059 0.072 0.000 0.892 91 L HN 0.379 nan 8.230 nan 0.000 0.431 92 T N -0.431 114.153 114.554 0.051 0.000 2.653 92 T HA -0.328 4.023 4.350 0.000 0.000 0.268 92 T C 1.749 176.472 174.700 0.039 0.000 1.035 92 T CA 1.943 64.069 62.100 0.044 0.000 1.154 92 T CB -0.300 68.591 68.868 0.038 0.000 0.862 92 T HN 0.440 nan 8.240 nan 0.000 0.441 93 Q N 0.488 120.310 119.800 0.036 0.000 2.020 93 Q HA -0.014 4.326 4.340 0.000 0.000 0.202 93 Q C 2.829 178.847 176.000 0.031 0.000 0.982 93 Q CA 1.405 57.227 55.803 0.031 0.000 0.838 93 Q CB -0.396 28.359 28.738 0.028 0.000 0.899 93 Q HN 0.577 nan 8.270 nan 0.000 0.423 94 A N 1.133 123.976 122.820 0.038 0.000 1.892 94 A HA -0.199 4.122 4.320 0.000 0.000 0.218 94 A C 2.103 179.706 177.584 0.032 0.000 1.188 94 A CA 1.365 53.424 52.037 0.038 0.000 0.631 94 A CB -0.819 18.215 19.000 0.056 0.000 0.822 94 A HN 0.295 nan 8.150 nan 0.000 0.447 95 L N -1.059 120.188 121.223 0.041 0.000 2.056 95 L HA -0.174 4.166 4.340 0.000 0.000 0.207 95 L C 3.115 180.000 176.870 0.024 0.000 1.078 95 L CA 1.090 55.951 54.840 0.035 0.000 0.749 95 L CB -0.756 41.333 42.059 0.050 0.000 0.901 95 L HN 0.448 nan 8.230 nan 0.000 0.433 96 A N -0.222 122.612 122.820 0.025 0.000 1.933 96 A HA -0.231 4.090 4.320 0.000 0.000 0.218 96 A C 2.120 179.711 177.584 0.011 0.000 1.175 96 A CA 1.502 53.551 52.037 0.019 0.000 0.628 96 A CB -0.418 18.595 19.000 0.023 0.000 0.814 96 A HN 0.517 nan 8.150 nan 0.000 0.444 97 Q N 0.063 119.870 119.800 0.010 0.000 2.403 97 Q HA -0.004 4.336 4.340 0.000 0.000 0.203 97 Q C 1.902 177.900 176.000 -0.002 0.000 0.932 97 Q CA 0.688 56.493 55.803 0.003 0.000 0.945 97 Q CB 0.004 28.746 28.738 0.006 0.000 1.045 97 Q HN 0.840 nan 8.270 nan 0.000 0.511 98 S N -0.908 114.791 115.700 -0.002 0.000 2.481 98 S HA 0.018 4.488 4.470 0.000 0.000 0.231 98 S C 1.036 175.627 174.600 -0.015 0.000 0.996 98 S CA 0.513 58.707 58.200 -0.010 0.000 0.942 98 S CB 0.201 63.394 63.200 -0.012 0.000 0.768 98 S HN 0.344 nan 8.310 nan 0.000 0.520 99 G N -0.101 108.691 108.800 -0.013 0.000 3.264 99 G HA2 0.556 4.517 3.960 0.000 0.000 0.168 99 G HA3 0.556 4.517 3.960 0.000 0.000 0.168 99 G C -1.173 173.712 174.900 -0.024 0.000 1.145 99 G CA -0.783 44.306 45.100 -0.019 0.000 0.855 99 G HN 0.338 nan 8.290 nan 0.000 0.629 100 Q N -0.351 119.429 119.800 -0.032 0.000 2.205 100 Q HA 0.455 4.796 4.340 0.000 0.000 0.249 100 Q C -0.857 175.112 176.000 -0.051 0.000 0.948 100 Q CA -0.466 55.308 55.803 -0.047 0.000 0.895 100 Q CB 1.948 30.648 28.738 -0.063 0.000 1.249 100 Q HN 0.453 nan 8.270 nan 0.000 0.458 101 Q N 1.408 121.168 119.800 -0.066 0.000 2.278 101 Q HA 0.323 4.664 4.340 0.000 0.000 0.257 101 Q C -1.433 174.478 176.000 -0.149 0.000 0.928 101 Q CA -0.232 55.527 55.803 -0.072 0.000 0.932 101 Q CB 0.737 29.444 28.738 -0.052 0.000 1.221 101 Q HN 0.526 nan 8.270 nan 0.000 0.434 102 L N 4.024 125.133 121.223 -0.190 0.000 2.418 102 L HA 0.201 4.542 4.340 0.000 0.000 0.274 102 L C 0.059 176.551 176.870 -0.630 0.000 1.135 102 L CA 0.255 54.822 54.840 -0.454 0.000 0.870 102 L CB 0.566 42.354 42.059 -0.451 0.000 1.154 102 L HN 0.677 nan 8.230 nan 0.000 0.462 103 E N 3.211 123.021 120.200 -0.650 0.000 2.115 103 E HA 0.243 4.593 4.350 0.000 0.000 0.282 103 E C -1.293 174.998 176.600 -0.516 0.000 0.987 103 E CA -0.304 55.825 56.400 -0.452 0.000 0.797 103 E CB 0.989 30.542 29.700 -0.246 0.000 1.086 103 E HN 0.367 nan 8.360 nan 0.000 0.397 104 W N 3.208 124.523 121.300 0.025 0.000 2.655 104 W HA 0.384 5.044 4.660 0.000 0.000 0.358 104 W C -2.076 174.352 176.519 -0.152 0.000 1.100 104 W CA -2.365 54.986 57.345 0.011 0.000 1.195 104 W CB 0.470 30.056 29.460 0.210 0.000 1.403 104 W HN 0.348 nan 8.180 nan 0.000 0.589 105 P HA 0.066 nan 4.420 nan 0.000 0.271 105 P C 0.296 177.482 177.300 -0.190 0.000 1.226 105 P CA 0.157 63.040 63.100 -0.361 0.000 0.765 105 P CB 0.917 32.086 31.700 -0.885 0.000 0.835 106 E N 3.031 123.182 120.200 -0.082 0.000 2.208 106 E HA -0.265 4.086 4.350 0.000 0.000 0.202 106 E C 1.965 178.575 176.600 0.016 0.000 1.014 106 E CA 2.073 58.471 56.400 -0.003 0.000 0.819 106 E CB -0.811 28.882 29.700 -0.011 0.000 0.735 106 E HN 0.543 nan 8.360 nan 0.000 0.469 107 A N -0.315 122.473 122.820 -0.053 0.000 2.070 107 A HA -0.167 4.154 4.320 0.000 0.000 0.220 107 A C 1.383 179.100 177.584 0.222 0.000 1.159 107 A CA 1.226 53.283 52.037 0.033 0.000 0.656 107 A CB -0.619 18.370 19.000 -0.017 0.000 0.800 107 A HN 0.308 nan 8.150 nan 0.000 0.453 108 W N -0.674 120.646 121.300 0.033 0.000 2.630 108 W HA 0.174 4.834 4.660 0.000 0.000 0.271 108 W C 2.041 178.565 176.519 0.007 0.000 1.244 108 W CA -0.178 57.164 57.345 -0.006 0.000 1.353 108 W CB -0.952 28.470 29.460 -0.064 0.000 1.080 108 W HN 0.436 nan 8.180 nan 0.000 0.594 109 R N 0.730 121.389 120.500 0.265 0.000 2.366 109 R HA -0.328 4.012 4.340 0.000 0.000 0.249 109 R C 1.771 178.154 176.300 0.138 0.000 1.064 109 R CA 2.877 59.087 56.100 0.184 0.000 0.925 109 R CB -0.564 29.815 30.300 0.131 0.000 0.952 109 R HN 0.138 nan 8.270 nan 0.000 0.444 110 Q N -0.408 119.471 119.800 0.130 0.000 2.378 110 Q HA -0.110 4.230 4.340 0.000 0.000 0.205 110 Q C 1.850 177.978 176.000 0.213 0.000 0.954 110 Q CA 1.275 57.144 55.803 0.109 0.000 0.901 110 Q CB 0.176 28.954 28.738 0.068 0.000 0.981 110 Q HN 0.622 nan 8.270 nan 0.000 0.483 111 Q N 0.031 119.937 119.800 0.177 0.000 2.339 111 Q HA 0.130 4.470 4.340 0.000 0.000 0.205 111 Q C 0.231 176.197 176.000 -0.057 0.000 0.925 111 Q CA -0.016 55.823 55.803 0.059 0.000 0.898 111 Q CB 0.294 28.983 28.738 -0.082 0.000 1.013 111 Q HN 0.232 nan 8.270 nan 0.000 0.504 112 L N 2.494 123.686 121.223 -0.052 0.000 2.678 112 L HA 0.040 4.381 4.340 0.000 0.000 0.276 112 L C -0.055 176.793 176.870 -0.037 0.000 1.142 112 L CA -0.360 54.406 54.840 -0.123 0.000 0.961 112 L CB -0.605 41.386 42.059 -0.113 0.000 1.291 112 L HN -0.013 nan 8.230 nan 0.000 0.476 113 V N -0.519 119.359 119.914 -0.060 0.000 3.164 113 V HA 0.881 5.001 4.120 0.000 0.000 0.313 113 V C -0.968 175.124 176.094 -0.004 0.000 1.188 113 V CA -0.612 61.685 62.300 -0.004 0.000 1.058 113 V CB 2.479 34.309 31.823 0.010 0.000 1.110 113 V HN 0.578 nan 8.190 nan 0.000 0.453 114 D N -0.547 119.873 120.400 0.033 0.000 2.742 114 D HA 0.580 5.220 4.640 0.000 0.000 0.262 114 D C -1.673 174.675 176.300 0.079 0.000 1.240 114 D CA -0.267 53.763 54.000 0.051 0.000 0.752 114 D CB 2.222 43.065 40.800 0.072 0.000 1.290 114 D HN 1.180 nan 8.370 nan 0.000 0.420 115 K N 0.442 120.896 120.400 0.092 0.000 2.477 115 K HA 0.783 5.103 4.320 0.000 0.000 0.255 115 K C -1.839 174.852 176.600 0.151 0.000 0.952 115 K CA -0.549 55.804 56.287 0.110 0.000 0.826 115 K CB 1.745 34.290 32.500 0.074 0.000 1.331 115 K HN 0.453 nan 8.250 nan 0.000 0.437 116 H N -0.560 118.547 119.070 0.062 0.000 2.928 116 H HA 0.676 5.232 4.556 0.000 0.000 0.371 116 H C -1.505 173.861 175.328 0.062 0.000 1.186 116 H CA -0.488 55.598 56.048 0.063 0.000 1.134 116 H CB 2.332 32.137 29.762 0.072 0.000 1.824 116 H HN 0.738 nan 8.280 nan 0.000 0.554 117 S N -0.348 115.209 115.700 -0.238 0.000 2.599 117 S HA 0.255 4.725 4.470 0.000 0.000 0.294 117 S C 0.574 175.209 174.600 0.059 0.000 1.094 117 S CA -0.019 58.147 58.200 -0.056 0.000 0.931 117 S CB 1.026 64.154 63.200 -0.119 0.000 1.093 117 S HN 0.811 nan 8.310 nan 0.000 0.488 118 T N 0.051 114.650 114.554 0.076 0.000 3.129 118 T HA 0.485 4.836 4.350 0.000 0.000 0.251 118 T C 0.949 175.650 174.700 0.002 0.000 1.117 118 T CA 0.435 62.584 62.100 0.081 0.000 1.034 118 T CB -0.772 68.141 68.868 0.074 0.000 0.968 118 T HN 1.663 nan 8.240 nan 0.000 0.526 119 G N -1.048 107.736 108.800 -0.027 0.000 2.895 119 G HA2 0.431 4.391 3.960 0.000 0.000 0.686 119 G HA3 0.431 4.391 3.960 0.000 0.000 0.686 119 G C -0.188 174.669 174.900 -0.072 0.000 1.108 119 G CA -0.619 44.443 45.100 -0.064 0.000 0.761 119 G HN 1.155 nan 8.290 nan 0.000 0.611 120 G N -1.175 107.586 108.800 -0.066 0.000 2.694 120 G HA2 0.822 4.783 3.960 0.000 0.000 0.246 120 G HA3 0.822 4.783 3.960 0.000 0.000 0.246 120 G C -1.275 173.618 174.900 -0.012 0.000 1.205 120 G CA 0.360 45.442 45.100 -0.030 0.000 0.891 120 G HN 1.716 nan 8.290 nan 0.000 0.515 121 V N 0.912 120.829 119.914 0.004 0.000 2.407 121 V HA 0.624 4.744 4.120 0.000 0.000 0.291 121 V C 1.066 177.142 176.094 -0.029 0.000 1.018 121 V CA 0.685 62.986 62.300 0.002 0.000 0.842 121 V CB 0.504 32.350 31.823 0.037 0.000 0.996 121 V HN 2.323 nan 8.190 nan 0.000 0.426 122 G N 4.156 112.923 108.800 -0.056 0.000 2.148 122 G HA2 -0.245 3.716 3.960 0.000 0.000 0.254 122 G HA3 -0.245 3.716 3.960 0.000 0.000 0.254 122 G C 0.170 175.030 174.900 -0.065 0.000 0.981 122 G CA 0.322 45.382 45.100 -0.068 0.000 0.670 122 G HN 0.857 nan 8.290 nan 0.000 0.528 123 D N 1.112 121.475 120.400 -0.062 0.000 2.600 123 D HA 0.237 4.877 4.640 0.000 0.000 0.226 123 D C 1.624 177.882 176.300 -0.070 0.000 1.119 123 D CA 0.132 54.096 54.000 -0.061 0.000 1.051 123 D CB -0.024 40.742 40.800 -0.057 0.000 1.106 123 D HN 0.435 nan 8.370 nan 0.000 0.491 124 K N 2.389 122.744 120.400 -0.076 0.000 2.684 124 K HA 0.056 4.376 4.320 0.000 0.000 0.215 124 K C 0.596 177.142 176.600 -0.089 0.000 1.073 124 K CA -0.217 56.018 56.287 -0.086 0.000 1.197 124 K CB -0.131 32.310 32.500 -0.099 0.000 0.955 124 K HN 0.149 nan 8.250 nan 0.000 0.473 125 V N 0.859 120.729 119.914 -0.073 0.000 2.427 125 V HA -0.216 3.905 4.120 0.000 0.000 0.248 125 V C 2.041 178.095 176.094 -0.067 0.000 1.051 125 V CA 1.941 64.202 62.300 -0.064 0.000 1.048 125 V CB -0.463 31.335 31.823 -0.041 0.000 0.666 125 V HN 0.450 nan 8.190 nan 0.000 0.456 126 S N 0.211 115.872 115.700 -0.065 0.000 2.382 126 S HA -0.105 4.366 4.470 0.000 0.000 0.228 126 S C 1.919 176.487 174.600 -0.054 0.000 1.027 126 S CA 1.360 59.531 58.200 -0.050 0.000 0.991 126 S CB -0.357 62.812 63.200 -0.052 0.000 0.823 126 S HN 0.470 nan 8.310 nan 0.000 0.469 127 L N 0.888 122.059 121.223 -0.087 0.000 2.042 127 L HA -0.105 4.235 4.340 0.000 0.000 0.210 127 L C 2.286 178.997 176.870 -0.263 0.000 1.076 127 L CA 1.065 55.816 54.840 -0.148 0.000 0.749 127 L CB -0.642 41.303 42.059 -0.190 0.000 0.893 127 L HN 0.233 nan 8.230 nan 0.000 0.432 128 V N -0.680 119.106 119.914 -0.212 0.000 2.535 128 V HA -0.180 3.941 4.120 0.000 0.000 0.246 128 V C 2.185 178.205 176.094 -0.123 0.000 1.045 128 V CA 0.892 63.069 62.300 -0.204 0.000 1.058 128 V CB -0.078 31.652 31.823 -0.155 0.000 0.689 128 V HN 0.339 nan 8.190 nan 0.000 0.461 129 L N 0.521 121.696 121.223 -0.081 0.000 2.109 129 L HA -0.043 4.297 4.340 0.000 0.000 0.207 129 L C 2.557 179.408 176.870 -0.030 0.000 1.086 129 L CA 2.218 57.030 54.840 -0.046 0.000 0.760 129 L CB -0.953 41.089 42.059 -0.028 0.000 0.910 129 L HN 0.346 nan 8.230 nan 0.000 0.437 130 A N 1.606 124.416 122.820 -0.017 0.000 1.851 130 A HA -0.145 4.175 4.320 0.000 0.000 0.216 130 A C -0.069 177.520 177.584 0.009 0.000 1.195 130 A CA 2.017 54.059 52.037 0.008 0.000 0.622 130 A CB -2.102 16.926 19.000 0.047 0.000 0.831 130 A HN 0.448 nan 8.150 nan 0.000 0.444 131 P HA -0.064 nan 4.420 nan 0.000 0.221 131 P C 1.467 178.766 177.300 -0.001 0.000 1.150 131 P CA 1.736 64.868 63.100 0.053 0.000 0.800 131 P CB -0.099 31.683 31.700 0.137 0.000 0.787 132 A N 0.256 123.060 122.820 -0.026 0.000 1.930 132 A HA -0.099 4.221 4.320 0.000 0.000 0.217 132 A C 2.420 179.980 177.584 -0.039 0.000 1.175 132 A CA 1.163 53.179 52.037 -0.035 0.000 0.627 132 A CB -1.508 17.465 19.000 -0.044 0.000 0.815 132 A HN 0.126 nan 8.150 nan 0.000 0.443 133 L N -0.847 120.350 121.223 -0.043 0.000 2.027 133 L HA -0.120 4.221 4.340 0.000 0.000 0.206 133 L C 2.865 179.681 176.870 -0.090 0.000 1.074 133 L CA 0.988 55.791 54.840 -0.062 0.000 0.745 133 L CB -0.462 41.562 42.059 -0.059 0.000 0.898 133 L HN 0.393 nan 8.230 nan 0.000 0.433 134 A N -0.143 122.626 122.820 -0.085 0.000 2.248 134 A HA 0.066 4.386 4.320 0.000 0.000 0.210 134 A C 2.003 179.535 177.584 -0.087 0.000 1.174 134 A CA 1.146 53.117 52.037 -0.109 0.000 0.750 134 A CB -0.546 18.398 19.000 -0.094 0.000 0.780 134 A HN 0.382 nan 8.150 nan 0.000 0.478 135 A N -2.155 120.626 122.820 -0.065 0.000 2.337 135 A HA 0.349 4.669 4.320 0.000 0.000 0.227 135 A C 0.747 178.296 177.584 -0.058 0.000 1.259 135 A CA 0.564 52.572 52.037 -0.050 0.000 0.870 135 A CB -0.581 18.399 19.000 -0.032 0.000 0.927 135 A HN 0.546 nan 8.150 nan 0.000 0.497 136 C N -1.501 117.748 119.300 -0.084 0.000 3.214 136 C HA 0.518 4.979 4.460 0.000 0.000 0.261 136 C C 1.684 176.588 174.990 -0.143 0.000 2.279 136 C CA -0.345 58.618 59.018 -0.091 0.000 1.606 136 C CB -0.700 26.992 27.740 -0.079 0.000 3.251 136 C HN 1.045 nan 8.230 nan 0.000 0.443 137 G N 0.655 109.368 108.800 -0.144 0.000 2.228 137 G HA2 -0.312 3.648 3.960 0.000 0.000 0.270 137 G HA3 -0.312 3.648 3.960 0.000 0.000 0.270 137 G C 0.321 175.061 174.900 -0.268 0.000 0.976 137 G CA 0.603 45.594 45.100 -0.181 0.000 0.636 137 G HN 0.613 nan 8.290 nan 0.000 0.542 138 C N 1.895 121.017 119.300 -0.297 0.000 2.644 138 C HA 0.517 4.977 4.460 0.000 0.000 0.417 138 C C 0.774 175.570 174.990 -0.322 0.000 1.304 138 C CA -0.676 58.138 59.018 -0.341 0.000 2.035 138 C CB 0.944 28.504 27.740 -0.299 0.000 2.673 138 C HN 0.331 nan 8.230 nan 0.000 0.602 139 K N 2.587 122.759 120.400 -0.380 0.000 2.253 139 K HA 0.398 4.718 4.320 0.000 0.000 0.277 139 K C -0.875 175.510 176.600 -0.357 0.000 1.053 139 K CA -0.119 55.873 56.287 -0.490 0.000 0.892 139 K CB 1.260 33.305 32.500 -0.758 0.000 1.102 139 K HN 0.483 nan 8.250 nan 0.000 0.469 140 V N 6.099 125.846 119.914 -0.279 0.000 2.266 140 V HA 0.188 4.308 4.120 0.000 0.000 0.271 140 V C -1.952 174.067 176.094 -0.125 0.000 1.032 140 V CA -1.447 60.755 62.300 -0.162 0.000 0.806 140 V CB 1.248 33.019 31.823 -0.087 0.000 1.052 140 V HN 0.526 nan 8.190 nan 0.000 0.449 141 P HA 0.178 nan 4.420 nan 0.000 0.209 141 P C 0.066 177.429 177.300 0.105 0.000 1.843 141 P CA -0.337 62.774 63.100 0.017 0.000 0.985 141 P CB 0.389 32.143 31.700 0.090 0.000 1.904 142 M N 2.249 121.896 119.600 0.079 0.000 2.356 142 M HA 0.091 4.571 4.480 0.000 0.000 0.348 142 M C -0.792 175.581 176.300 0.122 0.000 1.595 142 M CA 0.140 55.504 55.300 0.105 0.000 1.095 142 M CB -0.034 32.621 32.600 0.091 0.000 1.963 142 M HN -0.054 nan 8.290 nan 0.000 0.459 143 I N 5.664 126.312 120.570 0.130 0.000 2.310 143 I HA 0.171 4.341 4.170 0.000 0.000 0.287 143 I C 0.530 176.721 176.117 0.124 0.000 1.073 143 I CA 0.157 61.521 61.300 0.107 0.000 1.216 143 I CB 0.641 38.693 38.000 0.088 0.000 1.415 143 I HN 0.750 nan 8.210 nan 0.000 0.480 144 S N 3.924 119.690 115.700 0.109 0.000 3.006 144 S HA 0.953 5.423 4.470 0.000 0.000 0.225 144 S C 0.360 174.970 174.600 0.017 0.000 1.097 144 S CA -0.023 58.261 58.200 0.141 0.000 1.260 144 S CB 0.943 64.186 63.200 0.072 0.000 1.085 144 S HN 0.613 nan 8.310 nan 0.000 0.568 145 G N -0.870 107.918 108.800 -0.020 0.000 2.550 145 G HA2 0.552 4.512 3.960 0.000 0.000 0.293 145 G HA3 0.552 4.512 3.960 0.000 0.000 0.293 145 G C -1.321 173.562 174.900 -0.028 0.000 1.402 145 G CA -1.105 43.864 45.100 -0.218 0.000 0.784 145 G HN 0.656 nan 8.290 nan 0.000 0.482 146 R N -0.843 119.654 120.500 -0.006 0.000 2.584 146 R HA 0.550 4.890 4.340 0.000 0.000 0.253 146 R C 1.135 177.609 176.300 0.289 0.000 1.251 146 R CA 0.030 56.218 56.100 0.147 0.000 1.129 146 R CB 0.048 30.420 30.300 0.121 0.000 1.239 146 R HN 0.669 nan 8.270 nan 0.000 0.595 147 G N 0.177 109.100 108.800 0.204 0.000 2.559 147 G HA2 0.278 4.238 3.960 0.000 0.000 0.235 147 G HA3 0.278 4.238 3.960 0.000 0.000 0.235 147 G C -1.068 173.906 174.900 0.124 0.000 1.266 147 G CA -0.214 44.983 45.100 0.161 0.000 0.847 147 G HN 0.190 nan 8.290 nan 0.000 0.583 148 L N 1.900 123.121 121.223 -0.004 0.000 2.504 148 L HA 0.591 4.931 4.340 0.000 0.000 0.265 148 L C 0.761 177.532 176.870 -0.166 0.000 0.975 148 L CA 1.166 55.914 54.840 -0.153 0.000 0.864 148 L CB 0.983 42.862 42.059 -0.298 0.000 1.212 148 L HN 1.434 nan 8.230 nan 0.000 0.416 149 G N 3.381 112.120 108.800 -0.102 0.000 2.556 149 G HA2 -0.360 3.601 3.960 0.000 0.000 0.283 149 G HA3 -0.360 3.601 3.960 0.000 0.000 0.283 149 G C 0.725 175.581 174.900 -0.074 0.000 1.177 149 G CA 0.542 45.580 45.100 -0.103 0.000 0.978 149 G HN 1.154 nan 8.290 nan 0.000 0.554 150 H N 1.407 120.436 119.070 -0.068 0.000 2.539 150 H HA 0.273 4.830 4.556 0.000 0.000 0.267 150 H C 1.124 176.463 175.328 0.018 0.000 0.982 150 H CA 1.531 57.552 56.048 -0.045 0.000 1.146 150 H CB -0.678 29.027 29.762 -0.095 0.000 1.382 150 H HN 0.834 nan 8.280 nan 0.000 0.577 151 T N -1.071 113.265 114.554 -0.364 0.000 2.875 151 T HA 0.537 4.887 4.350 0.000 0.000 0.284 151 T C 0.736 175.412 174.700 -0.040 0.000 0.995 151 T CA -0.374 61.599 62.100 -0.212 0.000 1.060 151 T CB 2.056 70.756 68.868 -0.280 0.000 0.967 151 T HN 0.343 nan 8.240 nan 0.000 0.476 152 G N 0.629 109.419 108.800 -0.016 0.000 2.444 152 G HA2 0.545 4.505 3.960 0.000 0.000 0.268 152 G HA3 0.545 4.505 3.960 0.000 0.000 0.268 152 G C 0.199 175.130 174.900 0.052 0.000 1.203 152 G CA -0.679 44.439 45.100 0.030 0.000 0.835 152 G HN 1.065 nan 8.290 nan 0.000 0.543 153 G N -0.356 108.521 108.800 0.128 0.000 2.388 153 G HA2 0.431 4.391 3.960 0.000 0.000 0.330 153 G HA3 0.431 4.391 3.960 0.000 0.000 0.330 153 G C 1.043 175.989 174.900 0.076 0.000 1.142 153 G CA 0.447 45.612 45.100 0.107 0.000 0.908 153 G HN 0.870 nan 8.290 nan 0.000 0.473 154 T N 0.830 115.398 114.554 0.023 0.000 2.915 154 T HA -0.100 4.251 4.350 0.000 0.000 0.269 154 T C 2.174 176.863 174.700 -0.018 0.000 1.071 154 T CA 0.850 62.946 62.100 -0.006 0.000 1.132 154 T CB -0.273 68.576 68.868 -0.033 0.000 0.878 154 T HN 0.270 nan 8.240 nan 0.000 0.479 155 L N 0.724 121.947 121.223 -0.001 0.000 2.083 155 L HA -0.044 4.296 4.340 0.000 0.000 0.209 155 L C 2.668 179.522 176.870 -0.027 0.000 1.083 155 L CA 1.530 56.361 54.840 -0.016 0.000 0.752 155 L CB -0.578 41.482 42.059 0.001 0.000 0.899 155 L HN 0.247 nan 8.230 nan 0.000 0.433 156 D N 0.263 120.668 120.400 0.008 0.000 2.144 156 D HA -0.134 4.507 4.640 0.000 0.000 0.200 156 D C 2.177 178.480 176.300 0.005 0.000 0.978 156 D CA 1.042 55.014 54.000 -0.048 0.000 0.833 156 D CB 0.044 40.781 40.800 -0.105 0.000 0.961 156 D HN 0.277 nan 8.370 nan 0.000 0.470 157 K N 0.341 120.823 120.400 0.136 0.000 2.057 157 K HA -0.022 4.298 4.320 0.000 0.000 0.207 157 K C 2.210 178.785 176.600 -0.041 0.000 1.049 157 K CA 0.545 56.904 56.287 0.119 0.000 0.931 157 K CB -0.093 32.438 32.500 0.051 0.000 0.714 157 K HN 0.120 nan 8.250 nan 0.000 0.440 158 L N 0.838 121.958 121.223 -0.171 0.000 2.362 158 L HA -0.131 4.209 4.340 0.000 0.000 0.219 158 L C 1.800 178.469 176.870 -0.335 0.000 1.134 158 L CA 0.940 55.515 54.840 -0.442 0.000 0.807 158 L CB -0.140 41.359 42.059 -0.934 0.000 0.927 158 L HN 0.223 nan 8.230 nan 0.000 0.447 159 E N -0.687 119.429 120.200 -0.142 0.000 2.442 159 E HA -0.089 4.262 4.350 0.000 0.000 0.195 159 E C 2.058 178.647 176.600 -0.019 0.000 1.030 159 E CA 0.696 57.074 56.400 -0.037 0.000 0.869 159 E CB 0.246 29.933 29.700 -0.020 0.000 0.857 159 E HN 0.421 nan 8.360 nan 0.000 0.505 160 S N 0.299 115.984 115.700 -0.025 0.000 2.515 160 S HA -0.009 4.461 4.470 0.000 0.000 0.231 160 S C 0.872 175.482 174.600 0.017 0.000 0.987 160 S CA 0.061 58.264 58.200 0.004 0.000 0.936 160 S CB -0.278 62.941 63.200 0.033 0.000 0.766 160 S HN 0.084 nan 8.310 nan 0.000 0.528 161 I N 3.254 123.832 120.570 0.013 0.000 2.308 161 I HA 0.289 4.459 4.170 0.000 0.000 0.293 161 I C -2.501 173.664 176.117 0.081 0.000 1.078 161 I CA -2.560 58.768 61.300 0.046 0.000 1.292 161 I CB 0.645 38.669 38.000 0.040 0.000 1.423 161 I HN -0.036 nan 8.210 nan 0.000 0.493 162 P HA -0.052 nan 4.420 nan 0.000 0.259 162 P C 0.956 178.293 177.300 0.061 0.000 1.163 162 P CA 0.953 64.083 63.100 0.050 0.000 0.760 162 P CB 0.480 32.200 31.700 0.032 0.000 0.762 163 G N 2.911 111.746 108.800 0.058 0.000 2.268 163 G HA2 -0.299 3.662 3.960 0.000 0.000 0.240 163 G HA3 -0.299 3.662 3.960 0.000 0.000 0.240 163 G C 0.126 175.055 174.900 0.049 0.000 1.010 163 G CA -0.462 44.660 45.100 0.037 0.000 0.618 163 G HN 0.533 nan 8.290 nan 0.000 0.516 164 F N 2.988 122.917 119.950 -0.035 0.000 2.571 164 F HA 0.500 5.027 4.527 0.000 0.000 0.384 164 F C 0.495 176.278 175.800 -0.028 0.000 1.058 164 F CA -0.463 57.512 58.000 -0.041 0.000 1.200 164 F CB 0.510 39.484 39.000 -0.043 0.000 1.077 164 F HN 0.159 nan 8.300 nan 0.000 0.558 165 N N 4.800 123.355 118.700 -0.241 0.000 2.421 165 N HA 0.219 4.959 4.740 0.000 0.000 0.285 165 N C 0.506 175.993 175.510 -0.038 0.000 1.027 165 N CA -0.267 52.733 53.050 -0.084 0.000 0.918 165 N CB 1.830 40.232 38.487 -0.142 0.000 1.152 165 N HN 0.531 nan 8.380 nan 0.000 0.485 166 V N 1.339 121.337 119.914 0.141 0.000 3.471 166 V HA 0.352 4.473 4.120 0.000 0.000 0.258 166 V C 0.730 176.870 176.094 0.075 0.000 1.192 166 V CA 0.512 62.925 62.300 0.189 0.000 1.116 166 V CB 0.003 31.930 31.823 0.174 0.000 0.792 166 V HN 0.462 nan 8.190 nan 0.000 0.459 167 I N 3.309 123.896 120.570 0.029 0.000 2.282 167 I HA 0.486 4.657 4.170 0.000 0.000 0.290 167 I C -0.395 175.717 176.117 -0.007 0.000 1.090 167 I CA 0.212 61.518 61.300 0.011 0.000 1.231 167 I CB 0.229 38.231 38.000 0.004 0.000 1.434 167 I HN 0.420 nan 8.210 nan 0.000 0.487 168 Q N 3.839 123.640 119.800 0.002 0.000 2.316 168 Q HA 0.368 4.708 4.340 0.000 0.000 0.264 168 Q C 0.273 176.279 176.000 0.010 0.000 0.987 168 Q CA -0.452 55.350 55.803 -0.002 0.000 0.852 168 Q CB 2.711 31.452 28.738 0.004 0.000 1.287 168 Q HN 0.694 nan 8.270 nan 0.000 0.448 169 S N 1.697 117.397 115.700 0.000 0.000 2.608 169 S HA 0.238 4.708 4.470 0.000 0.000 0.261 169 S C -1.731 172.868 174.600 -0.001 0.000 1.314 169 S CA -0.835 57.362 58.200 -0.006 0.000 0.992 169 S CB 0.614 63.806 63.200 -0.014 0.000 0.935 169 S HN 0.269 nan 8.310 nan 0.000 0.564 170 P HA -0.124 nan 4.420 nan 0.000 0.215 170 P C 1.114 178.390 177.300 -0.041 0.000 1.157 170 P CA 1.556 64.613 63.100 -0.071 0.000 0.874 170 P CB -0.074 31.547 31.700 -0.131 0.000 0.790 171 E N -0.280 119.905 120.200 -0.025 0.000 2.038 171 E HA -0.228 4.123 4.350 0.000 0.000 0.195 171 E C 2.163 178.800 176.600 0.061 0.000 1.000 171 E CA 1.329 57.734 56.400 0.009 0.000 0.803 171 E CB -1.049 28.649 29.700 -0.003 0.000 0.750 171 E HN 0.370 nan 8.360 nan 0.000 0.448 172 Q N -0.197 119.630 119.800 0.045 0.000 2.135 172 Q HA -0.145 4.195 4.340 0.000 0.000 0.204 172 Q C 2.209 178.272 176.000 0.106 0.000 0.981 172 Q CA 1.443 57.277 55.803 0.053 0.000 0.856 172 Q CB -0.199 28.549 28.738 0.016 0.000 0.902 172 Q HN 0.369 nan 8.270 nan 0.000 0.425 173 M N -0.103 119.586 119.600 0.149 0.000 2.159 173 M HA -0.233 4.247 4.480 0.000 0.000 0.263 173 M C 2.264 178.836 176.300 0.454 0.000 1.063 173 M CA 1.430 56.896 55.300 0.277 0.000 1.110 173 M CB -0.192 32.614 32.600 0.343 0.000 1.374 173 M HN 0.255 nan 8.290 nan 0.000 0.411 174 Q N 0.183 120.274 119.800 0.485 0.000 2.046 174 Q HA -0.141 4.200 4.340 0.000 0.000 0.200 174 Q C 1.974 178.233 176.000 0.432 0.000 0.975 174 Q CA 1.455 57.666 55.803 0.680 0.000 0.836 174 Q CB 0.110 29.110 28.738 0.436 0.000 0.896 174 Q HN 0.328 nan 8.270 nan 0.000 0.428 175 V N 0.865 120.928 119.914 0.249 0.000 2.332 175 V HA -0.276 3.844 4.120 0.000 0.000 0.248 175 V C 2.247 178.413 176.094 0.119 0.000 1.055 175 V CA 1.283 63.681 62.300 0.163 0.000 1.038 175 V CB -0.507 31.371 31.823 0.092 0.000 0.651 175 V HN 0.335 nan 8.190 nan 0.000 0.450 176 L N -0.755 120.526 121.223 0.097 0.000 2.012 176 L HA -0.167 4.173 4.340 0.000 0.000 0.210 176 L C 2.254 179.111 176.870 -0.022 0.000 1.073 176 L CA 1.870 56.728 54.840 0.029 0.000 0.748 176 L CB -0.825 41.249 42.059 0.025 0.000 0.891 176 L HN 0.232 nan 8.230 nan 0.000 0.431 177 L N -1.038 120.156 121.223 -0.048 0.000 2.083 177 L HA -0.226 4.114 4.340 0.000 0.000 0.209 177 L C 2.208 178.897 176.870 -0.302 0.000 1.083 177 L CA 1.447 56.108 54.840 -0.297 0.000 0.752 177 L CB -0.597 41.091 42.059 -0.618 0.000 0.899 177 L HN 0.313 nan 8.230 nan 0.000 0.433 178 D N -0.700 119.691 120.400 -0.015 0.000 2.144 178 D HA -0.194 4.447 4.640 0.000 0.000 0.199 178 D C 2.211 178.536 176.300 0.041 0.000 0.984 178 D CA 1.150 55.235 54.000 0.141 0.000 0.834 178 D CB 0.262 41.262 40.800 0.334 0.000 0.955 178 D HN 0.171 nan 8.370 nan 0.000 0.465 179 Q N -1.074 118.734 119.800 0.014 0.000 2.391 179 Q HA 0.309 4.649 4.340 0.000 0.000 0.211 179 Q C 1.142 177.121 176.000 -0.035 0.000 0.908 179 Q CA 0.870 56.671 55.803 -0.002 0.000 0.920 179 Q CB 1.069 29.811 28.738 0.007 0.000 1.056 179 Q HN 0.356 nan 8.270 nan 0.000 0.523 180 A N -1.243 121.539 122.820 -0.063 0.000 2.427 180 A HA 0.495 4.815 4.320 0.000 0.000 0.225 180 A C 1.370 178.889 177.584 -0.108 0.000 1.257 180 A CA 0.789 52.786 52.037 -0.067 0.000 0.985 180 A CB 0.505 19.475 19.000 -0.049 0.000 1.136 180 A HN 0.274 nan 8.150 nan 0.000 0.538 181 G N -0.850 107.839 108.800 -0.184 0.000 2.212 181 G HA2 -0.317 3.643 3.960 0.000 0.000 0.266 181 G HA3 -0.317 3.643 3.960 0.000 0.000 0.266 181 G C 0.682 175.438 174.900 -0.239 0.000 0.978 181 G CA 0.869 45.807 45.100 -0.270 0.000 0.632 181 G HN 2.049 nan 8.290 nan 0.000 0.537 182 C N -1.617 117.596 119.300 -0.145 0.000 3.332 182 C HA 0.943 5.404 4.460 0.000 0.000 0.329 182 C C 0.165 175.139 174.990 -0.027 0.000 1.434 182 C CA -0.549 58.416 59.018 -0.088 0.000 1.314 182 C CB 1.498 29.221 27.740 -0.029 0.000 1.664 182 C HN 2.138 nan 8.230 nan 0.000 0.457 183 C N 0.088 119.403 119.300 0.025 0.000 3.275 183 C HA 0.761 5.221 4.460 0.000 0.000 0.345 183 C C -1.479 173.589 174.990 0.130 0.000 1.257 183 C CA -0.652 58.414 59.018 0.080 0.000 1.203 183 C CB -0.098 27.677 27.740 0.058 0.000 1.492 183 C HN 1.117 nan 8.230 nan 0.000 0.484 184 I N 2.931 123.627 120.570 0.209 0.000 2.517 184 I HA 0.585 4.756 4.170 0.000 0.000 0.280 184 I C 0.135 176.394 176.117 0.238 0.000 1.061 184 I CA -0.377 61.047 61.300 0.205 0.000 1.091 184 I CB 1.491 39.608 38.000 0.196 0.000 1.205 184 I HN 0.873 nan 8.210 nan 0.000 0.459 185 V N 2.365 122.372 119.914 0.157 0.000 3.103 185 V HA 1.028 5.149 4.120 0.000 0.000 0.318 185 V C 0.152 176.295 176.094 0.082 0.000 1.114 185 V CA -0.400 61.977 62.300 0.127 0.000 1.020 185 V CB 1.722 33.602 31.823 0.096 0.000 1.085 185 V HN 0.610 nan 8.190 nan 0.000 0.446 186 G N 0.303 109.134 108.800 0.051 0.000 2.644 186 G HA2 0.604 4.564 3.960 0.000 0.000 0.307 186 G HA3 0.604 4.564 3.960 0.000 0.000 0.307 186 G C -1.048 173.840 174.900 -0.019 0.000 1.250 186 G CA -0.956 44.141 45.100 -0.005 0.000 0.996 186 G HN 0.868 nan 8.290 nan 0.000 0.489 187 Q N -0.363 119.399 119.800 -0.064 0.000 2.395 187 Q HA 0.454 4.794 4.340 0.000 0.000 0.271 187 Q C 0.543 176.526 176.000 -0.029 0.000 1.026 187 Q CA 0.169 55.943 55.803 -0.049 0.000 0.900 187 Q CB 1.176 29.868 28.738 -0.077 0.000 1.266 187 Q HN 0.693 nan 8.270 nan 0.000 0.430 188 S N -0.266 115.423 115.700 -0.017 0.000 2.819 188 S HA 0.308 4.779 4.470 0.000 0.000 0.299 188 S C 0.238 174.829 174.600 -0.014 0.000 1.192 188 S CA -0.961 57.231 58.200 -0.013 0.000 0.847 188 S CB 0.760 63.955 63.200 -0.009 0.000 1.224 188 S HN 0.630 nan 8.310 nan 0.000 0.537 189 E N 0.460 120.652 120.200 -0.014 0.000 2.268 189 E HA -0.131 4.219 4.350 0.000 0.000 0.195 189 E C 1.721 178.310 176.600 -0.018 0.000 0.995 189 E CA 1.245 57.636 56.400 -0.016 0.000 0.836 189 E CB -0.213 29.477 29.700 -0.016 0.000 0.763 189 E HN 0.572 nan 8.360 nan 0.000 0.491 190 Q N -0.161 119.628 119.800 -0.018 0.000 2.324 190 Q HA 0.148 4.488 4.340 0.000 0.000 0.207 190 Q C 0.381 176.368 176.000 -0.022 0.000 0.928 190 Q CA 0.368 56.158 55.803 -0.023 0.000 0.890 190 Q CB 0.580 29.302 28.738 -0.025 0.000 1.001 190 Q HN 0.153 nan 8.270 nan 0.000 0.517 191 L N 1.882 123.097 121.223 -0.014 0.000 2.298 191 L HA 0.279 4.620 4.340 0.000 0.000 0.284 191 L C 0.112 176.977 176.870 -0.007 0.000 1.013 191 L CA -0.967 53.868 54.840 -0.008 0.000 0.824 191 L CB 1.812 43.873 42.059 0.004 0.000 1.221 191 L HN 0.026 nan 8.230 nan 0.000 0.418 192 V N 1.583 121.495 119.914 -0.004 0.000 5.637 192 V HA -0.211 3.909 4.120 0.000 0.000 0.246 192 V C -1.848 174.244 176.094 -0.003 0.000 0.678 192 V CA 0.147 62.447 62.300 0.000 0.000 0.578 192 V CB -1.680 30.147 31.823 0.007 0.000 0.235 192 V HN 0.706 nan 8.190 nan 0.000 0.609 193 P HA -0.156 nan 4.420 nan 0.000 0.215 193 P C 1.967 179.262 177.300 -0.008 0.000 1.157 193 P CA 2.849 65.942 63.100 -0.013 0.000 0.874 193 P CB 0.026 31.714 31.700 -0.019 0.000 0.790 194 A N -0.314 122.499 122.820 -0.011 0.000 1.908 194 A HA -0.279 4.041 4.320 0.000 0.000 0.218 194 A C 2.204 179.805 177.584 0.027 0.000 1.181 194 A CA 2.410 54.440 52.037 -0.011 0.000 0.627 194 A CB -1.732 17.259 19.000 -0.016 0.000 0.818 194 A HN 0.224 nan 8.150 nan 0.000 0.445 195 D N -1.070 119.356 120.400 0.043 0.000 2.117 195 D HA -0.014 4.627 4.640 0.000 0.000 0.198 195 D C 1.981 178.344 176.300 0.106 0.000 0.982 195 D CA 1.591 55.642 54.000 0.086 0.000 0.828 195 D CB -0.437 40.408 40.800 0.076 0.000 0.967 195 D HN 0.293 nan 8.370 nan 0.000 0.464 196 G N 0.549 109.374 108.800 0.042 0.000 2.469 196 G HA2 -0.257 3.704 3.960 0.000 0.000 0.219 196 G HA3 -0.257 3.704 3.960 0.000 0.000 0.219 196 G C 1.707 176.657 174.900 0.083 0.000 1.150 196 G CA 1.142 46.258 45.100 0.027 0.000 0.763 196 G HN 0.397 nan 8.290 nan 0.000 0.561 197 I N 0.279 120.886 120.570 0.060 0.000 2.202 197 I HA -0.078 4.092 4.170 0.000 0.000 0.242 197 I C 2.695 178.868 176.117 0.093 0.000 1.091 197 I CA 0.637 61.972 61.300 0.057 0.000 1.368 197 I CB -0.331 37.676 38.000 0.011 0.000 1.058 197 I HN 0.099 nan 8.210 nan 0.000 0.410 198 L N -0.501 120.786 121.223 0.107 0.000 2.083 198 L HA -0.238 4.102 4.340 0.000 0.000 0.209 198 L C 2.749 179.703 176.870 0.140 0.000 1.083 198 L CA 1.495 56.410 54.840 0.125 0.000 0.752 198 L CB -0.851 41.291 42.059 0.138 0.000 0.899 198 L HN 0.235 nan 8.230 nan 0.000 0.433 199 Y N 1.127 121.451 120.300 0.039 0.000 2.097 199 Y HA -0.318 4.232 4.550 0.000 0.000 0.282 199 Y C 2.602 178.521 175.900 0.032 0.000 1.152 199 Y CA 1.634 59.755 58.100 0.036 0.000 1.136 199 Y CB -0.328 38.155 38.460 0.037 0.000 0.975 199 Y HN 0.098 nan 8.280 nan 0.000 0.498 200 A N -0.137 122.866 122.820 0.306 0.000 1.972 200 A HA -0.071 4.249 4.320 0.000 0.000 0.219 200 A C 2.312 179.953 177.584 0.096 0.000 1.169 200 A CA 1.772 53.925 52.037 0.195 0.000 0.635 200 A CB -1.298 17.789 19.000 0.145 0.000 0.810 200 A HN 0.587 nan 8.150 nan 0.000 0.446 201 A N -0.334 122.534 122.820 0.080 0.000 1.903 201 A HA 0.005 4.326 4.320 0.000 0.000 0.213 201 A C 2.178 179.779 177.584 0.027 0.000 1.185 201 A CA 1.053 53.123 52.037 0.055 0.000 0.628 201 A CB -0.346 18.692 19.000 0.065 0.000 0.830 201 A HN 0.500 nan 8.150 nan 0.000 0.446 202 R N -0.108 120.395 120.500 0.006 0.000 2.091 202 R HA -0.181 4.159 4.340 0.000 0.000 0.238 202 R C 1.971 178.234 176.300 -0.061 0.000 1.136 202 R CA 1.618 57.697 56.100 -0.034 0.000 0.959 202 R CB -0.469 29.787 30.300 -0.073 0.000 0.856 202 R HN 0.666 nan 8.270 nan 0.000 0.437 203 D N 0.491 120.841 120.400 -0.085 0.000 2.133 203 D HA -0.146 4.495 4.640 0.000 0.000 0.195 203 D C 1.333 177.627 176.300 -0.011 0.000 0.997 203 D CA 1.594 55.550 54.000 -0.074 0.000 0.840 203 D CB 0.144 40.915 40.800 -0.049 0.000 0.947 203 D HN 0.185 nan 8.370 nan 0.000 0.452 204 V N -1.679 118.244 119.914 0.015 0.000 3.249 204 V HA 0.401 4.521 4.120 0.000 0.000 0.338 204 V C 0.815 176.923 176.094 0.024 0.000 1.363 204 V CA 0.718 63.038 62.300 0.033 0.000 1.205 204 V CB -0.386 31.465 31.823 0.047 0.000 1.164 204 V HN 0.334 nan 8.190 nan 0.000 0.458 205 T N -3.802 110.758 114.554 0.010 0.000 3.209 205 T HA 0.604 4.954 4.350 0.000 0.000 0.295 205 T C 0.975 175.676 174.700 0.002 0.000 0.977 205 T CA 0.563 62.669 62.100 0.011 0.000 0.922 205 T CB 0.456 69.335 68.868 0.018 0.000 1.152 205 T HN 1.800 nan 8.240 nan 0.000 0.527 206 A N 1.200 124.014 122.820 -0.009 0.000 2.869 206 A HA -0.131 4.189 4.320 0.000 0.000 0.280 206 A C 1.052 178.627 177.584 -0.015 0.000 1.458 206 A CA 1.196 53.225 52.037 -0.014 0.000 0.776 206 A CB -2.674 16.324 19.000 -0.003 0.000 1.028 206 A HN 1.447 nan 8.150 nan 0.000 0.547 207 T N -4.170 110.369 114.554 -0.025 0.000 3.339 207 T HA 0.483 4.833 4.350 0.000 0.000 0.292 207 T C 1.039 175.709 174.700 -0.049 0.000 1.012 207 T CA 0.479 62.567 62.100 -0.020 0.000 0.937 207 T CB 0.265 69.132 68.868 -0.002 0.000 1.164 207 T HN 0.550 nan 8.240 nan 0.000 0.509 208 V N 2.212 122.073 119.914 -0.089 0.000 2.379 208 V HA 0.002 4.122 4.120 0.000 0.000 0.243 208 V C 1.591 177.576 176.094 -0.182 0.000 1.035 208 V CA 1.503 63.713 62.300 -0.151 0.000 1.035 208 V CB -0.381 31.326 31.823 -0.193 0.000 0.673 208 V HN 0.737 nan 8.190 nan 0.000 0.457 209 D N 0.911 121.190 120.400 -0.201 0.000 2.662 209 D HA 0.019 4.659 4.640 0.000 0.000 0.228 209 D C 0.095 176.393 176.300 -0.003 0.000 1.093 209 D CA 0.390 54.183 54.000 -0.345 0.000 1.075 209 D CB 0.440 41.057 40.800 -0.305 0.000 1.122 209 D HN 0.269 nan 8.370 nan 0.000 0.475 210 S N 1.556 117.297 115.700 0.067 0.000 2.707 210 S HA 0.201 4.672 4.470 0.000 0.000 0.312 210 S C 0.898 175.667 174.600 0.282 0.000 1.116 210 S CA -0.901 57.422 58.200 0.204 0.000 1.078 210 S CB 0.931 64.183 63.200 0.087 0.000 0.997 210 S HN 0.401 nan 8.310 nan 0.000 0.477 211 L N 6.645 128.111 121.223 0.406 0.000 1.997 211 L HA -0.006 4.334 4.340 0.000 0.000 0.216 211 L C -0.598 176.368 176.870 0.160 0.000 1.074 211 L CA 1.857 56.874 54.840 0.294 0.000 0.763 211 L CB -0.685 41.424 42.059 0.082 0.000 0.890 211 L HN 0.545 nan 8.230 nan 0.000 0.434 212 P HA -0.196 nan 4.420 nan 0.000 0.217 212 P C 1.989 179.333 177.300 0.073 0.000 1.150 212 P CA 1.632 64.776 63.100 0.072 0.000 0.832 212 P CB -0.044 31.685 31.700 0.048 0.000 0.787 213 L N -1.043 120.224 121.223 0.074 0.000 2.056 213 L HA -0.106 4.234 4.340 0.000 0.000 0.207 213 L C 2.838 179.744 176.870 0.060 0.000 1.078 213 L CA 1.157 56.033 54.840 0.062 0.000 0.749 213 L CB -0.724 41.362 42.059 0.045 0.000 0.901 213 L HN -0.148 nan 8.230 nan 0.000 0.433 214 I N -0.641 119.968 120.570 0.065 0.000 2.179 214 I HA -0.278 3.892 4.170 0.000 0.000 0.242 214 I C 2.520 178.680 176.117 0.072 0.000 1.088 214 I CA 1.466 62.802 61.300 0.060 0.000 1.357 214 I CB -0.569 37.478 38.000 0.079 0.000 1.051 214 I HN 0.244 nan 8.210 nan 0.000 0.409 215 T N 0.934 115.539 114.554 0.085 0.000 2.607 215 T HA -0.253 4.098 4.350 0.000 0.000 0.267 215 T C 2.057 176.788 174.700 0.051 0.000 1.049 215 T CA 1.839 63.981 62.100 0.070 0.000 1.162 215 T CB -0.469 68.441 68.868 0.070 0.000 0.863 215 T HN 0.498 nan 8.240 nan 0.000 0.424 216 A N 0.799 123.652 122.820 0.055 0.000 1.933 216 A HA -0.083 4.238 4.320 0.000 0.000 0.218 216 A C 2.571 180.185 177.584 0.050 0.000 1.175 216 A CA 2.143 54.212 52.037 0.052 0.000 0.628 216 A CB -1.060 17.977 19.000 0.062 0.000 0.814 216 A HN 0.453 nan 8.150 nan 0.000 0.444 217 S N -0.281 115.456 115.700 0.062 0.000 2.353 217 S HA -0.149 4.322 4.470 0.000 0.000 0.222 217 S C 1.929 176.543 174.600 0.023 0.000 1.035 217 S CA 1.595 59.843 58.200 0.080 0.000 1.025 217 S CB -0.508 62.767 63.200 0.124 0.000 0.902 217 S HN 0.487 nan 8.310 nan 0.000 0.440 218 I N 1.282 121.836 120.570 -0.027 0.000 2.142 218 I HA -0.174 3.997 4.170 0.000 0.000 0.240 218 I C 2.321 178.358 176.117 -0.133 0.000 1.078 218 I CA 1.222 62.410 61.300 -0.187 0.000 1.343 218 I CB -0.435 37.475 38.000 -0.150 0.000 1.046 218 I HN 0.307 nan 8.210 nan 0.000 0.405 219 L N 0.544 121.743 121.223 -0.040 0.000 2.083 219 L HA -0.204 4.136 4.340 0.000 0.000 0.209 219 L C 2.870 179.742 176.870 0.003 0.000 1.083 219 L CA 1.686 56.522 54.840 -0.007 0.000 0.752 219 L CB -0.788 41.282 42.059 0.019 0.000 0.899 219 L HN 0.406 nan 8.230 nan 0.000 0.433 220 S N -0.121 115.584 115.700 0.009 0.000 2.359 220 S HA -0.235 4.236 4.470 0.000 0.000 0.224 220 S C 1.944 176.553 174.600 0.015 0.000 1.035 220 S CA 1.058 59.270 58.200 0.019 0.000 1.018 220 S CB -0.337 62.880 63.200 0.029 0.000 0.876 220 S HN 0.370 nan 8.310 nan 0.000 0.448 221 K N 0.915 121.314 120.400 -0.003 0.000 2.057 221 K HA -0.004 4.316 4.320 0.000 0.000 0.207 221 K C 2.272 178.890 176.600 0.029 0.000 1.049 221 K CA 1.183 57.473 56.287 0.005 0.000 0.931 221 K CB -0.084 32.403 32.500 -0.021 0.000 0.714 221 K HN 0.222 nan 8.250 nan 0.000 0.440 222 K N 1.029 121.438 120.400 0.014 0.000 2.062 222 K HA -0.040 4.280 4.320 0.000 0.000 0.205 222 K C 2.128 178.769 176.600 0.068 0.000 1.051 222 K CA 0.973 57.289 56.287 0.048 0.000 0.941 222 K CB -0.445 32.075 32.500 0.034 0.000 0.719 222 K HN 0.160 nan 8.250 nan 0.000 0.440 223 L N 0.764 122.018 121.223 0.051 0.000 2.079 223 L HA -0.155 4.185 4.340 0.000 0.000 0.210 223 L C 2.260 179.170 176.870 0.066 0.000 1.081 223 L CA 0.825 55.698 54.840 0.056 0.000 0.752 223 L CB -0.575 41.509 42.059 0.041 0.000 0.896 223 L HN -0.124 nan 8.230 nan 0.000 0.433 224 V N -0.353 119.597 119.914 0.060 0.000 2.759 224 V HA -0.220 3.900 4.120 0.000 0.000 0.256 224 V C 2.134 178.288 176.094 0.098 0.000 1.080 224 V CA 1.402 63.734 62.300 0.054 0.000 1.101 224 V CB -0.494 31.350 31.823 0.035 0.000 0.698 224 V HN 0.457 nan 8.190 nan 0.000 0.477 225 E N 0.331 120.625 120.200 0.157 0.000 2.347 225 E HA 0.092 4.442 4.350 0.000 0.000 0.196 225 E C 1.547 178.395 176.600 0.412 0.000 1.008 225 E CA 0.478 57.055 56.400 0.294 0.000 0.852 225 E CB -0.120 29.722 29.700 0.237 0.000 0.783 225 E HN 0.643 nan 8.360 nan 0.000 0.505 226 G N 1.738 110.693 108.800 0.258 0.000 2.333 226 G HA2 -0.281 3.679 3.960 0.000 0.000 0.296 226 G HA3 -0.281 3.679 3.960 0.000 0.000 0.296 226 G C 0.021 175.071 174.900 0.250 0.000 1.059 226 G CA 0.102 45.361 45.100 0.266 0.000 1.050 226 G HN 0.101 nan 8.290 nan 0.000 0.508 227 L N -0.510 120.812 121.223 0.166 0.000 2.469 227 L HA 0.664 5.005 4.340 0.000 0.000 0.253 227 L C 1.623 178.545 176.870 0.087 0.000 1.143 227 L CA -0.034 54.872 54.840 0.111 0.000 0.804 227 L CB 1.359 43.472 42.059 0.089 0.000 1.214 227 L HN 0.433 nan 8.230 nan 0.000 0.476 228 S N -1.307 114.432 115.700 0.064 0.000 2.730 228 S HA 0.654 5.124 4.470 0.000 0.000 0.244 228 S C -0.082 174.529 174.600 0.019 0.000 1.022 228 S CA 0.082 58.307 58.200 0.041 0.000 1.014 228 S CB 0.608 63.831 63.200 0.037 0.000 0.963 228 S HN 0.801 nan 8.310 nan 0.000 0.540 229 A N 0.970 123.812 122.820 0.036 0.000 2.590 229 A HA 0.556 4.877 4.320 0.000 0.000 0.309 229 A C -1.742 175.877 177.584 0.058 0.000 1.039 229 A CA -0.573 51.484 52.037 0.033 0.000 0.824 229 A CB 0.507 19.515 19.000 0.014 0.000 1.247 229 A HN 0.522 nan 8.150 nan 0.000 0.394 230 L N 3.084 124.349 121.223 0.070 0.000 2.410 230 L HA 0.791 5.131 4.340 0.000 0.000 0.270 230 L C -1.487 175.447 176.870 0.106 0.000 0.983 230 L CA -0.857 54.035 54.840 0.086 0.000 0.822 230 L CB 1.916 44.024 42.059 0.081 0.000 1.285 230 L HN 0.571 nan 8.230 nan 0.000 0.409 231 V N 5.484 125.468 119.914 0.118 0.000 2.378 231 V HA 0.382 4.503 4.120 0.000 0.000 0.288 231 V C -0.161 176.019 176.094 0.143 0.000 1.016 231 V CA -0.507 61.874 62.300 0.135 0.000 0.840 231 V CB 2.007 33.912 31.823 0.136 0.000 0.994 231 V HN 0.476 nan 8.190 nan 0.000 0.431 232 V N 3.851 123.853 119.914 0.147 0.000 2.398 232 V HA 0.361 4.481 4.120 0.000 0.000 0.286 232 V C -0.151 176.029 176.094 0.143 0.000 1.026 232 V CA -0.583 61.815 62.300 0.162 0.000 0.868 232 V CB 1.926 33.844 31.823 0.158 0.000 0.982 232 V HN 0.891 nan 8.190 nan 0.000 0.443 233 D N 4.581 125.058 120.400 0.128 0.000 2.411 233 D HA 0.231 4.871 4.640 0.000 0.000 0.225 233 D C -0.408 175.950 176.300 0.096 0.000 1.156 233 D CA -0.042 54.020 54.000 0.104 0.000 0.874 233 D CB 1.250 42.093 40.800 0.072 0.000 1.034 233 D HN 0.236 nan 8.370 nan 0.000 0.502 234 V N 5.706 125.685 119.914 0.108 0.000 2.406 234 V HA 0.184 4.304 4.120 0.000 0.000 0.272 234 V C 0.698 176.861 176.094 0.116 0.000 1.043 234 V CA -0.626 61.749 62.300 0.125 0.000 0.915 234 V CB 0.974 32.885 31.823 0.147 0.000 0.988 234 V HN 0.358 nan 8.190 nan 0.000 0.466 235 K N 5.068 125.518 120.400 0.084 0.000 2.098 235 K HA 0.626 4.946 4.320 0.000 0.000 0.257 235 K C -0.524 176.160 176.600 0.139 0.000 0.999 235 K CA -0.158 56.137 56.287 0.013 0.000 0.924 235 K CB 1.505 33.989 32.500 -0.027 0.000 1.028 235 K HN 0.602 nan 8.250 nan 0.000 0.466 236 F N -2.858 117.121 119.950 0.048 0.000 2.645 236 F HA 0.699 5.226 4.527 0.000 0.000 0.310 236 F C -0.139 175.686 175.800 0.041 0.000 1.102 236 F CA -0.604 57.430 58.000 0.056 0.000 0.952 236 F CB 1.439 40.458 39.000 0.033 0.000 1.326 236 F HN 0.747 nan 8.300 nan 0.000 0.456 237 G N 0.325 109.310 108.800 0.310 0.000 2.423 237 G HA2 0.383 4.343 3.960 0.000 0.000 0.684 237 G HA3 0.383 4.343 3.960 0.000 0.000 0.684 237 G C 0.459 175.411 174.900 0.087 0.000 1.309 237 G CA -0.185 45.005 45.100 0.151 0.000 0.950 237 G HN 1.694 nan 8.290 nan 0.000 0.587 238 G N -0.340 108.489 108.800 0.049 0.000 2.507 238 G HA2 0.226 4.186 3.960 0.000 0.000 0.221 238 G HA3 0.226 4.186 3.960 0.000 0.000 0.221 238 G C 1.500 176.389 174.900 -0.017 0.000 1.119 238 G CA 2.723 47.833 45.100 0.016 0.000 0.751 238 G HN 2.063 nan 8.290 nan 0.000 0.574 239 A N -0.751 122.069 122.820 -0.000 0.000 2.538 239 A HA 0.806 5.126 4.320 0.000 0.000 0.269 239 A C 1.095 178.803 177.584 0.206 0.000 1.231 239 A CA 0.779 52.828 52.037 0.019 0.000 0.948 239 A CB 0.144 19.162 19.000 0.030 0.000 1.110 239 A HN 0.715 nan 8.150 nan 0.000 0.529 240 A N -0.565 122.323 122.820 0.112 0.000 2.332 240 A HA 0.504 4.824 4.320 0.000 0.000 0.258 240 A C 1.434 179.076 177.584 0.096 0.000 1.087 240 A CA 0.047 52.142 52.037 0.097 0.000 0.802 240 A CB 0.262 19.320 19.000 0.097 0.000 1.042 240 A HN 0.436 nan 8.150 nan 0.000 0.489 241 V N -0.101 119.796 119.914 -0.027 0.000 2.287 241 V HA -0.152 3.968 4.120 0.000 0.000 0.248 241 V C 0.349 176.299 176.094 -0.241 0.000 1.053 241 V CA 1.566 63.737 62.300 -0.215 0.000 1.027 241 V CB -0.807 30.756 31.823 -0.434 0.000 0.646 241 V HN 0.620 nan 8.190 nan 0.000 0.447 242 F N 0.112 120.108 119.950 0.077 0.000 2.307 242 F HA 0.413 4.940 4.527 0.000 0.000 0.369 242 F C -1.526 174.334 175.800 0.100 0.000 1.076 242 F CA -3.180 54.865 58.000 0.073 0.000 1.149 242 F CB 0.664 39.702 39.000 0.063 0.000 1.410 242 F HN 0.038 nan 8.300 nan 0.000 0.481 243 P HA -0.213 nan 4.420 nan 0.000 0.215 243 P C 0.437 177.865 177.300 0.213 0.000 1.157 243 P CA 1.141 64.363 63.100 0.203 0.000 0.874 243 P CB 0.124 31.904 31.700 0.134 0.000 0.790 244 N N 0.501 119.296 118.700 0.157 0.000 2.414 244 N HA -0.106 4.634 4.740 0.000 0.000 0.268 244 N C 0.933 176.468 175.510 0.041 0.000 1.286 244 N CA 0.465 53.559 53.050 0.073 0.000 0.896 244 N CB 0.403 38.907 38.487 0.028 0.000 1.093 244 N HN 0.188 nan 8.380 nan 0.000 0.480 245 Q N 2.128 121.892 119.800 -0.061 0.000 2.181 245 Q HA -0.223 4.117 4.340 0.000 0.000 0.205 245 Q C 1.035 176.922 176.000 -0.188 0.000 0.980 245 Q CA 1.406 57.051 55.803 -0.264 0.000 0.862 245 Q CB 0.055 28.446 28.738 -0.579 0.000 0.905 245 Q HN 0.631 nan 8.270 nan 0.000 0.429 246 E N 1.008 121.127 120.200 -0.135 0.000 2.112 246 E HA -0.177 4.173 4.350 0.000 0.000 0.190 246 E C 1.828 178.360 176.600 -0.114 0.000 0.979 246 E CA 1.040 57.369 56.400 -0.118 0.000 0.814 246 E CB 0.057 29.697 29.700 -0.102 0.000 0.762 246 E HN 0.344 nan 8.360 nan 0.000 0.460 247 Q N -0.565 119.162 119.800 -0.122 0.000 2.119 247 Q HA -0.064 4.276 4.340 0.000 0.000 0.201 247 Q C 1.933 177.812 176.000 -0.202 0.000 0.972 247 Q CA 1.479 57.143 55.803 -0.232 0.000 0.847 247 Q CB -0.212 28.348 28.738 -0.297 0.000 0.903 247 Q HN 0.313 nan 8.270 nan 0.000 0.433 248 A N 0.853 123.666 122.820 -0.013 0.000 1.930 248 A HA -0.175 4.145 4.320 0.000 0.000 0.217 248 A C 2.072 179.688 177.584 0.054 0.000 1.175 248 A CA 1.387 53.499 52.037 0.125 0.000 0.627 248 A CB -0.549 18.593 19.000 0.237 0.000 0.815 248 A HN 0.398 nan 8.150 nan 0.000 0.443 249 R N 0.020 120.509 120.500 -0.018 0.000 2.092 249 R HA -0.134 4.206 4.340 0.000 0.000 0.231 249 R C 1.890 178.173 176.300 -0.027 0.000 1.119 249 R CA 1.584 57.667 56.100 -0.028 0.000 0.970 249 R CB -0.237 30.021 30.300 -0.069 0.000 0.864 249 R HN 0.684 nan 8.270 nan 0.000 0.440 250 E N 0.572 120.734 120.200 -0.063 0.000 2.110 250 E HA -0.226 4.124 4.350 0.000 0.000 0.193 250 E C 2.072 178.651 176.600 -0.035 0.000 0.988 250 E CA 1.043 57.401 56.400 -0.069 0.000 0.804 250 E CB -0.116 29.508 29.700 -0.128 0.000 0.745 250 E HN 0.377 nan 8.360 nan 0.000 0.458 251 L N 0.602 121.816 121.223 -0.015 0.000 2.027 251 L HA -0.138 4.202 4.340 0.000 0.000 0.206 251 L C 2.474 179.391 176.870 0.079 0.000 1.074 251 L CA 1.116 55.997 54.840 0.069 0.000 0.745 251 L CB -0.326 41.850 42.059 0.194 0.000 0.898 251 L HN 0.116 nan 8.230 nan 0.000 0.433 252 A N -0.072 122.792 122.820 0.073 0.000 1.940 252 A HA -0.250 4.071 4.320 0.000 0.000 0.219 252 A C 2.249 179.866 177.584 0.055 0.000 1.176 252 A CA 1.820 53.901 52.037 0.073 0.000 0.631 252 A CB -0.350 18.689 19.000 0.065 0.000 0.814 252 A HN 0.400 nan 8.150 nan 0.000 0.446 253 K N -1.095 119.325 120.400 0.033 0.000 2.025 253 K HA -0.077 4.243 4.320 0.000 0.000 0.207 253 K C 2.177 178.796 176.600 0.032 0.000 1.049 253 K CA 1.682 57.985 56.287 0.027 0.000 0.933 253 K CB -0.441 32.064 32.500 0.008 0.000 0.714 253 K HN 0.456 nan 8.250 nan 0.000 0.438 254 T N 2.300 116.872 114.554 0.029 0.000 2.684 254 T HA -0.139 4.211 4.350 0.000 0.000 0.267 254 T C 1.915 176.642 174.700 0.046 0.000 1.036 254 T CA 1.152 63.272 62.100 0.033 0.000 1.148 254 T CB -0.286 68.602 68.868 0.033 0.000 0.863 254 T HN 0.094 nan 8.240 nan 0.000 0.436 255 L N 0.547 121.805 121.223 0.059 0.000 2.013 255 L HA -0.148 4.192 4.340 0.000 0.000 0.212 255 L C 2.674 179.580 176.870 0.060 0.000 1.073 255 L CA 1.216 56.094 54.840 0.064 0.000 0.753 255 L CB -0.656 41.451 42.059 0.081 0.000 0.890 255 L HN 0.160 nan 8.230 nan 0.000 0.432 256 V N -0.329 119.622 119.914 0.062 0.000 2.323 256 V HA -0.165 3.955 4.120 0.000 0.000 0.244 256 V C 2.541 178.665 176.094 0.050 0.000 1.041 256 V CA 1.878 64.215 62.300 0.062 0.000 1.025 256 V CB -1.153 30.710 31.823 0.068 0.000 0.656 256 V HN 0.569 nan 8.190 nan 0.000 0.451 257 G N 0.123 108.948 108.800 0.043 0.000 2.511 257 G HA2 -0.225 3.735 3.960 0.000 0.000 0.216 257 G HA3 -0.225 3.735 3.960 0.000 0.000 0.216 257 G C 1.678 176.598 174.900 0.033 0.000 1.218 257 G CA 1.349 46.470 45.100 0.035 0.000 0.788 257 G HN 0.352 nan 8.290 nan 0.000 0.560 258 V N 1.786 121.721 119.914 0.034 0.000 2.392 258 V HA -0.096 4.024 4.120 0.000 0.000 0.249 258 V C 3.104 179.219 176.094 0.035 0.000 1.059 258 V CA 1.953 64.272 62.300 0.033 0.000 1.051 258 V CB -1.146 30.697 31.823 0.034 0.000 0.658 258 V HN 0.473 nan 8.190 nan 0.000 0.455 259 G N -0.158 108.666 108.800 0.039 0.000 2.453 259 G HA2 -0.229 3.732 3.960 0.000 0.000 0.215 259 G HA3 -0.229 3.732 3.960 0.000 0.000 0.215 259 G C 1.819 176.742 174.900 0.038 0.000 1.201 259 G CA 1.141 46.265 45.100 0.041 0.000 0.784 259 G HN 0.606 nan 8.290 nan 0.000 0.545 260 A N 0.827 123.670 122.820 0.038 0.000 1.903 260 A HA -0.109 4.211 4.320 0.000 0.000 0.219 260 A C 2.683 180.284 177.584 0.028 0.000 1.191 260 A CA 2.575 54.632 52.037 0.034 0.000 0.638 260 A CB -0.863 18.158 19.000 0.035 0.000 0.823 260 A HN 0.344 nan 8.150 nan 0.000 0.451 261 S N -0.526 115.190 115.700 0.028 0.000 2.419 261 S HA -0.031 4.440 4.470 0.000 0.000 0.235 261 S C 1.292 175.906 174.600 0.024 0.000 1.019 261 S CA 1.199 59.413 58.200 0.024 0.000 0.982 261 S CB -0.312 62.902 63.200 0.023 0.000 0.789 261 S HN 0.495 nan 8.310 nan 0.000 0.490 262 L N 0.736 121.975 121.223 0.027 0.000 2.685 262 L HA 0.280 4.620 4.340 0.000 0.000 0.233 262 L C 1.326 178.213 176.870 0.028 0.000 1.173 262 L CA 0.011 54.867 54.840 0.027 0.000 0.961 262 L CB -0.395 41.682 42.059 0.030 0.000 1.217 262 L HN 0.412 nan 8.230 nan 0.000 0.478 263 G N 1.229 110.045 108.800 0.027 0.000 2.198 263 G HA2 -0.284 3.676 3.960 0.000 0.000 0.257 263 G HA3 -0.284 3.676 3.960 0.000 0.000 0.257 263 G C -0.235 174.683 174.900 0.030 0.000 1.042 263 G CA 0.081 45.197 45.100 0.026 0.000 0.791 263 G HN 0.304 nan 8.290 nan 0.000 0.502 264 L N -0.296 120.947 121.223 0.033 0.000 2.376 264 L HA 0.657 4.997 4.340 0.000 0.000 0.275 264 L C 0.516 177.408 176.870 0.036 0.000 0.987 264 L CA -1.432 53.430 54.840 0.038 0.000 0.828 264 L CB 1.268 43.354 42.059 0.045 0.000 1.249 264 L HN 0.169 nan 8.230 nan 0.000 0.409 265 R N 3.530 124.047 120.500 0.028 0.000 2.399 265 R HA 0.370 4.711 4.340 0.000 0.000 0.324 265 R C -1.565 174.762 176.300 0.045 0.000 1.030 265 R CA 0.190 56.304 56.100 0.023 0.000 0.984 265 R CB 0.152 30.447 30.300 -0.008 0.000 0.961 265 R HN 0.372 nan 8.270 nan 0.000 0.433 266 V N 3.795 123.746 119.914 0.061 0.000 2.638 266 V HA 0.783 4.903 4.120 0.000 0.000 0.306 266 V C -0.534 175.623 176.094 0.106 0.000 1.052 266 V CA -0.700 61.649 62.300 0.081 0.000 0.885 266 V CB 1.847 33.714 31.823 0.074 0.000 0.999 266 V HN 0.902 nan 8.190 nan 0.000 0.424 267 A N 3.360 126.258 122.820 0.130 0.000 2.365 267 A HA 1.004 5.324 4.320 0.000 0.000 0.318 267 A C -0.388 177.283 177.584 0.145 0.000 1.091 267 A CA -0.356 51.776 52.037 0.159 0.000 0.763 267 A CB 1.822 20.954 19.000 0.220 0.000 1.248 267 A HN 1.501 nan 8.150 nan 0.000 0.442 268 A N 0.991 123.892 122.820 0.135 0.000 2.343 268 A HA 0.799 5.119 4.320 0.000 0.000 0.308 268 A C -0.002 177.656 177.584 0.125 0.000 1.092 268 A CA 0.108 52.221 52.037 0.126 0.000 0.751 268 A CB 0.977 20.041 19.000 0.106 0.000 1.203 268 A HN 2.199 nan 8.150 nan 0.000 0.452 269 A N 2.237 125.140 122.820 0.138 0.000 2.295 269 A HA 0.770 5.091 4.320 0.000 0.000 0.318 269 A C -0.600 177.013 177.584 0.048 0.000 1.134 269 A CA -0.430 51.677 52.037 0.117 0.000 0.827 269 A CB 0.545 19.693 19.000 0.247 0.000 1.136 269 A HN 0.849 nan 8.150 nan 0.000 0.493 270 L N 2.272 123.460 121.223 -0.058 0.000 2.298 270 L HA 0.525 4.866 4.340 0.000 0.000 0.284 270 L C 0.096 176.996 176.870 0.051 0.000 1.013 270 L CA -0.362 54.529 54.840 0.086 0.000 0.824 270 L CB 1.844 43.971 42.059 0.112 0.000 1.221 270 L HN 0.931 nan 8.230 nan 0.000 0.418 271 T N -0.029 114.510 114.554 -0.026 0.000 2.907 271 T HA 0.764 5.114 4.350 0.000 0.000 0.292 271 T C -0.111 174.094 174.700 -0.825 0.000 1.043 271 T CA -0.795 61.158 62.100 -0.246 0.000 1.003 271 T CB 2.091 70.901 68.868 -0.096 0.000 1.084 271 T HN 0.545 nan 8.240 nan 0.000 0.483 272 A N 2.131 124.466 122.820 -0.809 0.000 2.425 272 A HA 0.646 4.966 4.320 0.000 0.000 0.249 272 A C 0.378 177.687 177.584 -0.457 0.000 1.084 272 A CA -0.551 50.945 52.037 -0.902 0.000 0.781 272 A CB 0.023 18.795 19.000 -0.380 0.000 1.019 272 A HN 0.950 nan 8.150 nan 0.000 0.490 273 M N 1.246 120.627 119.600 -0.366 0.000 3.262 273 M HA 0.204 4.685 4.480 0.000 0.000 0.450 273 M C -0.091 176.159 176.300 -0.082 0.000 1.524 273 M CA -0.041 55.160 55.300 -0.165 0.000 0.770 273 M CB 0.267 32.793 32.600 -0.123 0.000 1.459 273 M HN 0.776 nan 8.290 nan 0.000 0.517 274 D N 1.247 121.603 120.400 -0.073 0.000 2.149 274 D HA -0.036 4.605 4.640 0.000 0.000 0.201 274 D C 0.544 176.841 176.300 -0.006 0.000 0.972 274 D CA 0.983 54.974 54.000 -0.015 0.000 0.835 274 D CB 0.393 41.199 40.800 0.011 0.000 0.966 274 D HN 0.528 nan 8.370 nan 0.000 0.476 275 K N 0.635 121.030 120.400 -0.009 0.000 2.295 275 K HA 0.575 4.896 4.320 0.000 0.000 0.239 275 K C -3.040 173.559 176.600 -0.001 0.000 0.991 275 K CA -1.918 54.374 56.287 0.009 0.000 0.845 275 K CB 1.862 34.377 32.500 0.024 0.000 1.197 275 K HN -0.354 nan 8.250 nan 0.000 0.441 276 P HA -0.047 nan 4.420 nan 0.000 0.271 276 P C -0.786 176.507 177.300 -0.012 0.000 1.216 276 P CA -0.554 62.546 63.100 0.000 0.000 0.771 276 P CB 0.397 32.103 31.700 0.010 0.000 0.864 277 L N 4.207 125.415 121.223 -0.025 0.000 2.385 277 L HA 0.401 4.741 4.340 0.000 0.000 0.281 277 L C 0.786 177.637 176.870 -0.032 0.000 1.106 277 L CA 1.451 56.273 54.840 -0.030 0.000 0.856 277 L CB -1.226 40.810 42.059 -0.038 0.000 1.186 277 L HN 0.761 nan 8.230 nan 0.000 0.453 278 G N 5.793 114.579 108.800 -0.025 0.000 2.587 278 G HA2 -0.253 3.707 3.960 0.000 0.000 0.212 278 G HA3 -0.253 3.707 3.960 0.000 0.000 0.212 278 G C 0.126 175.012 174.900 -0.022 0.000 1.327 278 G CA 0.085 45.167 45.100 -0.029 0.000 0.898 278 G HN 0.650 nan 8.290 nan 0.000 0.551 279 R N -1.298 119.185 120.500 -0.030 0.000 2.487 279 R HA 0.435 4.775 4.340 0.000 0.000 0.272 279 R C 0.235 176.509 176.300 -0.043 0.000 0.928 279 R CA 0.667 56.753 56.100 -0.023 0.000 1.077 279 R CB 0.430 30.718 30.300 -0.019 0.000 1.265 279 R HN 0.594 nan 8.270 nan 0.000 0.537 280 C N 0.968 120.231 119.300 -0.062 0.000 2.319 280 C HA 0.668 5.128 4.460 0.000 0.000 0.323 280 C C -0.294 174.636 174.990 -0.100 0.000 1.277 280 C CA -1.034 57.928 59.018 -0.093 0.000 1.517 280 C CB 1.394 29.069 27.740 -0.107 0.000 2.206 280 C HN 0.028 nan 8.230 nan 0.000 0.486 281 V N 3.885 123.733 119.914 -0.109 0.000 2.448 281 V HA 0.976 5.096 4.120 0.000 0.000 0.295 281 V C 0.616 176.617 176.094 -0.155 0.000 1.025 281 V CA 0.734 62.965 62.300 -0.114 0.000 0.859 281 V CB 1.048 32.830 31.823 -0.069 0.000 0.988 281 V HN 1.289 nan 8.190 nan 0.000 0.431 282 G N 3.190 111.849 108.800 -0.235 0.000 2.470 282 G HA2 0.088 4.049 3.960 0.000 0.000 0.145 282 G HA3 0.088 4.049 3.960 0.000 0.000 0.145 282 G C -0.136 174.417 174.900 -0.578 0.000 1.223 282 G CA 0.001 44.909 45.100 -0.320 0.000 1.058 282 G HN 0.536 nan 8.290 nan 0.000 0.469 283 H N -0.831 118.209 119.070 -0.050 0.000 2.258 283 H HA 0.423 4.979 4.556 0.000 0.000 0.185 283 H C 2.826 178.123 175.328 -0.051 0.000 0.986 283 H CA 1.006 57.027 56.048 -0.046 0.000 1.166 283 H CB -0.168 29.573 29.762 -0.035 0.000 1.161 283 H HN 0.633 nan 8.280 nan 0.000 0.420 284 A N 1.827 124.699 122.820 0.088 0.000 1.940 284 A HA -0.098 4.222 4.320 0.000 0.000 0.219 284 A C 2.477 180.048 177.584 -0.022 0.000 1.176 284 A CA 1.329 53.383 52.037 0.028 0.000 0.631 284 A CB -0.997 18.019 19.000 0.027 0.000 0.814 284 A HN 0.243 nan 8.150 nan 0.000 0.446 285 L N -0.723 120.459 121.223 -0.068 0.000 2.093 285 L HA -0.174 4.166 4.340 0.000 0.000 0.208 285 L C 2.537 179.346 176.870 -0.101 0.000 1.085 285 L CA 1.418 56.186 54.840 -0.120 0.000 0.755 285 L CB -0.649 41.285 42.059 -0.209 0.000 0.904 285 L HN 0.469 nan 8.230 nan 0.000 0.435 286 E N -0.202 119.937 120.200 -0.101 0.000 2.150 286 E HA -0.157 4.193 4.350 0.000 0.000 0.193 286 E C 2.289 178.841 176.600 -0.081 0.000 0.985 286 E CA 1.032 57.372 56.400 -0.100 0.000 0.814 286 E CB -0.018 29.610 29.700 -0.120 0.000 0.752 286 E HN 0.326 nan 8.360 nan 0.000 0.466 287 V N 1.741 121.624 119.914 -0.051 0.000 2.427 287 V HA -0.199 3.922 4.120 0.000 0.000 0.248 287 V C 2.431 178.502 176.094 -0.038 0.000 1.051 287 V CA 1.512 63.794 62.300 -0.030 0.000 1.048 287 V CB -0.335 31.506 31.823 0.030 0.000 0.666 287 V HN 0.204 nan 8.190 nan 0.000 0.456 288 E N 0.762 120.940 120.200 -0.036 0.000 2.028 288 E HA -0.260 4.090 4.350 0.000 0.000 0.191 288 E C 2.256 178.823 176.600 -0.054 0.000 0.988 288 E CA 1.892 58.272 56.400 -0.034 0.000 0.799 288 E CB -0.125 29.555 29.700 -0.034 0.000 0.755 288 E HN 0.740 nan 8.360 nan 0.000 0.447 289 E N -0.181 119.978 120.200 -0.068 0.000 2.153 289 E HA -0.163 4.187 4.350 0.000 0.000 0.194 289 E C 1.871 178.417 176.600 -0.089 0.000 0.988 289 E CA 1.141 57.498 56.400 -0.071 0.000 0.811 289 E CB -0.115 29.541 29.700 -0.074 0.000 0.746 289 E HN 0.265 nan 8.360 nan 0.000 0.466 290 A N 0.856 123.607 122.820 -0.114 0.000 1.873 290 A HA -0.132 4.189 4.320 0.000 0.000 0.215 290 A C 2.180 179.651 177.584 -0.187 0.000 1.186 290 A CA 1.160 53.096 52.037 -0.168 0.000 0.616 290 A CB -0.705 18.159 19.000 -0.225 0.000 0.823 290 A HN 0.320 nan 8.150 nan 0.000 0.442 291 L N -1.012 120.116 121.223 -0.159 0.000 2.079 291 L HA -0.192 4.148 4.340 0.000 0.000 0.210 291 L C 2.525 179.350 176.870 -0.076 0.000 1.081 291 L CA 1.008 55.779 54.840 -0.115 0.000 0.752 291 L CB -0.487 41.554 42.059 -0.030 0.000 0.896 291 L HN 0.425 nan 8.230 nan 0.000 0.433 292 L N -0.644 120.540 121.223 -0.064 0.000 2.046 292 L HA -0.250 4.090 4.340 0.000 0.000 0.208 292 L C 2.608 179.445 176.870 -0.054 0.000 1.077 292 L CA 1.641 56.452 54.840 -0.048 0.000 0.747 292 L CB -0.635 41.398 42.059 -0.043 0.000 0.896 292 L HN 0.358 nan 8.230 nan 0.000 0.432 293 C N -0.420 118.836 119.300 -0.073 0.000 2.440 293 C HA -0.149 4.311 4.460 0.000 0.000 0.278 293 C C 2.646 177.591 174.990 -0.074 0.000 1.295 293 C CA 0.779 59.754 59.018 -0.072 0.000 1.738 293 C CB -0.670 27.017 27.740 -0.087 0.000 1.987 293 C HN 0.575 nan 8.230 nan 0.000 0.492 294 M N 0.191 119.734 119.600 -0.095 0.000 2.659 294 M HA -0.007 4.473 4.480 0.000 0.000 0.243 294 M C 0.671 176.942 176.300 -0.047 0.000 1.111 294 M CA 0.832 56.082 55.300 -0.084 0.000 1.070 294 M CB -0.336 32.190 32.600 -0.123 0.000 1.525 294 M HN 0.313 nan 8.290 nan 0.000 0.517 295 D N -0.235 120.140 120.400 -0.041 0.000 2.349 295 D HA 0.173 4.814 4.640 0.000 0.000 0.214 295 D C 1.370 177.657 176.300 -0.023 0.000 1.063 295 D CA 0.684 54.669 54.000 -0.024 0.000 0.847 295 D CB 0.494 41.281 40.800 -0.021 0.000 0.933 295 D HN 0.435 nan 8.370 nan 0.000 0.513 296 G N -0.225 108.558 108.800 -0.029 0.000 2.157 296 G HA2 -0.153 3.808 3.960 0.000 0.000 0.248 296 G HA3 -0.153 3.808 3.960 0.000 0.000 0.248 296 G C 0.610 175.496 174.900 -0.024 0.000 0.979 296 G CA 0.445 45.530 45.100 -0.025 0.000 0.650 296 G HN 0.608 nan 8.290 nan 0.000 0.529 297 A N -1.020 121.784 122.820 -0.027 0.000 3.540 297 A HA 1.140 5.460 4.320 0.000 0.000 0.180 297 A C 1.544 179.110 177.584 -0.031 0.000 1.231 297 A CA 0.985 53.007 52.037 -0.025 0.000 0.873 297 A CB 0.444 19.431 19.000 -0.022 0.000 1.548 297 A HN 2.386 nan 8.150 nan 0.000 0.570 298 G N -1.446 107.337 108.800 -0.029 0.000 2.698 298 G HA2 0.079 4.039 3.960 0.000 0.000 0.225 298 G HA3 0.079 4.039 3.960 0.000 0.000 0.225 298 G C -2.828 172.055 174.900 -0.027 0.000 1.345 298 G CA -0.253 44.827 45.100 -0.032 0.000 0.871 298 G HN 1.007 nan 8.290 nan 0.000 0.540 299 P HA 0.374 nan 4.420 nan 0.000 0.282 299 P C -2.143 175.145 177.300 -0.019 0.000 1.249 299 P CA -1.336 61.751 63.100 -0.022 0.000 0.806 299 P CB 1.382 33.069 31.700 -0.022 0.000 0.984 300 P HA -0.196 nan 4.420 nan 0.000 0.215 300 P C 1.147 178.444 177.300 -0.006 0.000 1.153 300 P CA 1.343 64.438 63.100 -0.008 0.000 0.853 300 P CB -0.013 31.687 31.700 -0.001 0.000 0.788 301 D N -0.786 119.612 120.400 -0.003 0.000 2.421 301 D HA -0.227 4.413 4.640 0.000 0.000 0.195 301 D C 1.861 178.156 176.300 -0.008 0.000 1.022 301 D CA 1.310 55.309 54.000 -0.001 0.000 0.871 301 D CB -0.929 39.867 40.800 -0.007 0.000 1.026 301 D HN -0.024 nan 8.370 nan 0.000 0.462 302 L N 0.148 121.359 121.223 -0.021 0.000 1.944 302 L HA -0.256 4.084 4.340 0.000 0.000 0.218 302 L C 2.618 179.470 176.870 -0.030 0.000 1.075 302 L CA 1.796 56.617 54.840 -0.031 0.000 0.767 302 L CB -0.367 41.665 42.059 -0.045 0.000 0.890 302 L HN 0.097 nan 8.230 nan 0.000 0.434 303 R N -0.200 120.280 120.500 -0.032 0.000 2.112 303 R HA -0.289 4.051 4.340 0.000 0.000 0.242 303 R C 2.111 178.395 176.300 -0.027 0.000 1.137 303 R CA 2.426 58.506 56.100 -0.033 0.000 0.944 303 R CB -0.612 29.669 30.300 -0.031 0.000 0.857 303 R HN 0.504 nan 8.270 nan 0.000 0.435 304 D N 0.443 120.832 120.400 -0.019 0.000 2.116 304 D HA -0.209 4.431 4.640 0.000 0.000 0.193 304 D C 1.982 178.273 176.300 -0.015 0.000 0.998 304 D CA 1.262 55.252 54.000 -0.017 0.000 0.836 304 D CB -0.185 40.616 40.800 0.002 0.000 0.951 304 D HN 0.341 nan 8.370 nan 0.000 0.449 305 L N -0.286 120.940 121.223 0.005 0.000 2.109 305 L HA -0.116 4.225 4.340 0.000 0.000 0.207 305 L C 2.486 179.360 176.870 0.006 0.000 1.086 305 L CA 0.541 55.397 54.840 0.027 0.000 0.760 305 L CB 0.035 42.112 42.059 0.031 0.000 0.910 305 L HN -0.044 nan 8.230 nan 0.000 0.437 306 V N -0.453 119.453 119.914 -0.014 0.000 2.515 306 V HA -0.249 3.871 4.120 0.000 0.000 0.250 306 V C 2.673 178.752 176.094 -0.025 0.000 1.058 306 V CA 2.081 64.368 62.300 -0.022 0.000 1.064 306 V CB -0.873 30.926 31.823 -0.040 0.000 0.675 306 V HN 0.694 nan 8.190 nan 0.000 0.461 307 T N -3.056 111.477 114.554 -0.034 0.000 2.851 307 T HA -0.157 4.193 4.350 0.000 0.000 0.262 307 T C 1.847 176.512 174.700 -0.059 0.000 1.043 307 T CA 1.752 63.826 62.100 -0.042 0.000 1.140 307 T CB -0.588 68.251 68.868 -0.047 0.000 0.872 307 T HN 0.414 nan 8.240 nan 0.000 0.446 308 T N 2.773 117.274 114.554 -0.089 0.000 2.643 308 T HA 0.095 4.445 4.350 0.000 0.000 0.264 308 T C 1.945 176.591 174.700 -0.090 0.000 1.045 308 T CA 1.469 63.466 62.100 -0.171 0.000 1.155 308 T CB -0.601 68.087 68.868 -0.300 0.000 0.863 308 T HN 0.266 nan 8.240 nan 0.000 0.420 309 L N 0.679 121.900 121.223 -0.004 0.000 2.083 309 L HA -0.014 4.326 4.340 0.000 0.000 0.209 309 L C 3.026 179.927 176.870 0.052 0.000 1.083 309 L CA 1.350 56.227 54.840 0.061 0.000 0.752 309 L CB -1.050 41.059 42.059 0.082 0.000 0.899 309 L HN 0.383 nan 8.230 nan 0.000 0.433 310 G N -0.219 108.595 108.800 0.024 0.000 2.402 310 G HA2 -0.171 3.789 3.960 0.000 0.000 0.216 310 G HA3 -0.171 3.789 3.960 0.000 0.000 0.216 310 G C 1.597 176.522 174.900 0.043 0.000 1.162 310 G CA 0.705 45.821 45.100 0.026 0.000 0.777 310 G HN 0.471 nan 8.290 nan 0.000 0.539 311 G N 1.253 110.065 108.800 0.021 0.000 2.446 311 G HA2 -0.014 3.946 3.960 0.000 0.000 0.217 311 G HA3 -0.014 3.946 3.960 0.000 0.000 0.217 311 G C 2.073 177.035 174.900 0.104 0.000 1.168 311 G CA 1.635 46.755 45.100 0.035 0.000 0.771 311 G HN 0.659 nan 8.290 nan 0.000 0.551 312 A N 0.146 123.021 122.820 0.093 0.000 1.972 312 A HA 0.103 4.423 4.320 0.000 0.000 0.219 312 A C 2.378 180.123 177.584 0.268 0.000 1.169 312 A CA 1.322 53.473 52.037 0.189 0.000 0.635 312 A CB -0.345 18.747 19.000 0.152 0.000 0.810 312 A HN 0.386 nan 8.150 nan 0.000 0.446 313 L N -0.625 120.702 121.223 0.173 0.000 2.005 313 L HA -0.116 4.224 4.340 0.000 0.000 0.207 313 L C 2.483 179.440 176.870 0.145 0.000 1.072 313 L CA 1.328 56.254 54.840 0.144 0.000 0.744 313 L CB -0.319 41.796 42.059 0.093 0.000 0.895 313 L HN 0.416 nan 8.230 nan 0.000 0.433 314 L N -1.620 119.689 121.223 0.144 0.000 2.131 314 L HA -0.268 4.072 4.340 0.000 0.000 0.210 314 L C 2.327 179.296 176.870 0.165 0.000 1.092 314 L CA 1.516 56.450 54.840 0.156 0.000 0.759 314 L CB -0.677 41.456 42.059 0.124 0.000 0.903 314 L HN 0.490 nan 8.230 nan 0.000 0.435 315 W N 0.756 122.083 121.300 0.045 0.000 2.380 315 W HA -0.172 4.488 4.660 0.000 0.000 0.317 315 W C 2.329 178.864 176.519 0.026 0.000 1.196 315 W CA 1.118 58.480 57.345 0.028 0.000 1.307 315 W CB -0.417 29.054 29.460 0.018 0.000 1.157 315 W HN -0.103 nan 8.180 nan 0.000 0.483 316 L N 1.141 122.323 121.223 -0.069 0.000 2.051 316 L HA -0.312 4.028 4.340 0.000 0.000 0.214 316 L C 2.568 179.229 176.870 -0.348 0.000 1.076 316 L CA 2.435 57.079 54.840 -0.326 0.000 0.758 316 L CB -0.946 41.144 42.059 0.052 0.000 0.890 316 L HN 0.294 nan 8.230 nan 0.000 0.433 317 S N -1.550 114.053 115.700 -0.161 0.000 2.603 317 S HA 0.119 4.589 4.470 0.000 0.000 0.220 317 S C 1.378 175.789 174.600 -0.315 0.000 0.967 317 S CA 0.405 58.523 58.200 -0.138 0.000 0.920 317 S CB 0.517 63.767 63.200 0.082 0.000 0.773 317 S HN 0.636 nan 8.310 nan 0.000 0.529 318 G N 0.950 109.537 108.800 -0.355 0.000 2.159 318 G HA2 -0.268 3.693 3.960 0.000 0.000 0.256 318 G HA3 -0.268 3.693 3.960 0.000 0.000 0.256 318 G C 0.154 174.865 174.900 -0.315 0.000 0.977 318 G CA 0.408 45.288 45.100 -0.366 0.000 0.652 318 G HN 0.710 nan 8.290 nan 0.000 0.531 319 H N 0.383 119.415 119.070 -0.065 0.000 2.538 319 H HA 0.615 5.171 4.556 0.000 0.000 0.286 319 H C 1.031 176.361 175.328 0.004 0.000 1.035 319 H CA 1.038 57.070 56.048 -0.026 0.000 1.169 319 H CB 0.561 30.309 29.762 -0.024 0.000 1.417 319 H HN 0.890 nan 8.280 nan 0.000 0.567 320 A N -0.572 122.301 122.820 0.088 0.000 2.512 320 A HA 0.494 4.815 4.320 0.000 0.000 0.294 320 A C 1.338 179.016 177.584 0.157 0.000 1.054 320 A CA -0.227 51.884 52.037 0.124 0.000 0.756 320 A CB 0.595 19.692 19.000 0.161 0.000 1.293 320 A HN 0.304 nan 8.150 nan 0.000 0.395 321 G N 1.064 109.949 108.800 0.141 0.000 2.422 321 G HA2 0.239 4.200 3.960 0.000 0.000 0.218 321 G HA3 0.239 4.200 3.960 0.000 0.000 0.218 321 G C 0.853 175.941 174.900 0.312 0.000 1.146 321 G CA 1.993 47.196 45.100 0.171 0.000 0.769 321 G HN 1.666 nan 8.290 nan 0.000 0.547 322 T N -3.841 110.864 114.554 0.251 0.000 2.831 322 T HA 0.454 4.805 4.350 0.000 0.000 0.287 322 T C 1.033 175.798 174.700 0.110 0.000 1.070 322 T CA 0.064 62.255 62.100 0.152 0.000 1.010 322 T CB 1.805 70.685 68.868 0.019 0.000 1.264 322 T HN 0.066 nan 8.240 nan 0.000 0.532 323 Q N 0.715 120.448 119.800 -0.112 0.000 2.137 323 Q HA 0.128 4.468 4.340 0.000 0.000 0.198 323 Q C 2.215 178.185 176.000 -0.051 0.000 0.960 323 Q CA 1.791 57.543 55.803 -0.085 0.000 0.847 323 Q CB -1.440 27.147 28.738 -0.250 0.000 0.915 323 Q HN 0.821 nan 8.270 nan 0.000 0.448 324 A N 1.254 124.034 122.820 -0.066 0.000 1.969 324 A HA -0.172 4.148 4.320 0.000 0.000 0.218 324 A C 2.167 179.740 177.584 -0.019 0.000 1.169 324 A CA 1.387 53.392 52.037 -0.053 0.000 0.635 324 A CB -0.431 18.536 19.000 -0.054 0.000 0.810 324 A HN 0.464 nan 8.150 nan 0.000 0.445 325 Q N -0.763 119.042 119.800 0.008 0.000 2.119 325 Q HA -0.070 4.270 4.340 0.000 0.000 0.201 325 Q C 2.206 178.224 176.000 0.031 0.000 0.972 325 Q CA 1.138 56.956 55.803 0.025 0.000 0.847 325 Q CB -0.369 28.396 28.738 0.046 0.000 0.903 325 Q HN 0.681 nan 8.270 nan 0.000 0.433 326 G N 0.659 109.489 108.800 0.051 0.000 2.404 326 G HA2 -0.228 3.732 3.960 0.000 0.000 0.215 326 G HA3 -0.228 3.732 3.960 0.000 0.000 0.215 326 G C 1.488 176.399 174.900 0.019 0.000 1.174 326 G CA 0.752 45.885 45.100 0.056 0.000 0.780 326 G HN 0.415 nan 8.290 nan 0.000 0.537 327 A N 0.971 123.789 122.820 -0.003 0.000 2.024 327 A HA 0.236 4.556 4.320 0.000 0.000 0.220 327 A C 2.719 180.289 177.584 -0.023 0.000 1.164 327 A CA 2.256 54.276 52.037 -0.028 0.000 0.643 327 A CB -0.553 18.410 19.000 -0.061 0.000 0.806 327 A HN 0.718 nan 8.150 nan 0.000 0.451 328 A N 0.001 122.812 122.820 -0.014 0.000 1.854 328 A HA -0.081 4.240 4.320 0.000 0.000 0.214 328 A C 2.234 179.813 177.584 -0.008 0.000 1.192 328 A CA 1.152 53.181 52.037 -0.012 0.000 0.611 328 A CB -0.431 18.565 19.000 -0.007 0.000 0.832 328 A HN 0.518 nan 8.150 nan 0.000 0.442 329 R N -0.327 120.173 120.500 -0.001 0.000 2.081 329 R HA -0.090 4.250 4.340 0.000 0.000 0.235 329 R C 2.019 178.313 176.300 -0.011 0.000 1.131 329 R CA 1.484 57.582 56.100 -0.003 0.000 0.960 329 R CB -0.883 29.420 30.300 0.004 0.000 0.856 329 R HN 0.383 nan 8.270 nan 0.000 0.436 330 V N 1.526 121.433 119.914 -0.011 0.000 2.295 330 V HA -0.244 3.877 4.120 0.000 0.000 0.246 330 V C 2.608 178.688 176.094 -0.023 0.000 1.049 330 V CA 1.998 64.287 62.300 -0.019 0.000 1.024 330 V CB -0.784 31.029 31.823 -0.017 0.000 0.648 330 V HN 0.396 nan 8.190 nan 0.000 0.447 331 A N -0.113 122.694 122.820 -0.023 0.000 1.933 331 A HA -0.119 4.201 4.320 0.000 0.000 0.218 331 A C 2.427 179.998 177.584 -0.022 0.000 1.175 331 A CA 2.075 54.097 52.037 -0.025 0.000 0.628 331 A CB -0.770 18.215 19.000 -0.025 0.000 0.814 331 A HN 0.577 nan 8.150 nan 0.000 0.444 332 A N 0.017 122.826 122.820 -0.018 0.000 1.883 332 A HA 0.115 4.435 4.320 0.000 0.000 0.217 332 A C 2.498 180.072 177.584 -0.017 0.000 1.186 332 A CA 2.164 54.192 52.037 -0.015 0.000 0.624 332 A CB -1.103 17.890 19.000 -0.012 0.000 0.822 332 A HN 1.169 nan 8.150 nan 0.000 0.444 333 A N -0.367 122.442 122.820 -0.019 0.000 2.024 333 A HA -0.063 4.258 4.320 0.000 0.000 0.220 333 A C 2.053 179.623 177.584 -0.023 0.000 1.164 333 A CA 1.437 53.461 52.037 -0.021 0.000 0.643 333 A CB -0.609 18.376 19.000 -0.026 0.000 0.806 333 A HN 0.508 nan 8.150 nan 0.000 0.451 334 L N -1.058 120.148 121.223 -0.027 0.000 2.275 334 L HA -0.193 4.147 4.340 0.000 0.000 0.215 334 L C 1.548 178.403 176.870 -0.025 0.000 1.119 334 L CA 1.817 56.638 54.840 -0.032 0.000 0.790 334 L CB -0.484 41.554 42.059 -0.036 0.000 0.919 334 L HN 0.541 nan 8.230 nan 0.000 0.443 335 D N -2.592 117.796 120.400 -0.020 0.000 2.929 335 D HA 0.021 4.662 4.640 0.000 0.000 0.291 335 D C 0.457 176.750 176.300 -0.011 0.000 1.086 335 D CA -0.111 53.880 54.000 -0.015 0.000 0.971 335 D CB 0.374 41.166 40.800 -0.014 0.000 1.275 335 D HN -0.047 nan 8.370 nan 0.000 0.469 336 D N -0.938 119.456 120.400 -0.011 0.000 2.391 336 D HA 0.457 5.098 4.640 0.000 0.000 0.245 336 D C 0.877 177.171 176.300 -0.010 0.000 1.069 336 D CA 0.010 54.005 54.000 -0.009 0.000 0.831 336 D CB 1.637 42.432 40.800 -0.008 0.000 1.204 336 D HN 0.303 nan 8.370 nan 0.000 0.503 337 G N 2.194 110.989 108.800 -0.008 0.000 2.259 337 G HA2 -0.215 3.746 3.960 0.000 0.000 0.217 337 G HA3 -0.215 3.746 3.960 0.000 0.000 0.217 337 G C 0.281 175.176 174.900 -0.009 0.000 1.001 337 G CA 0.262 45.355 45.100 -0.011 0.000 0.627 337 G HN 1.247 nan 8.290 nan 0.000 0.501 338 S N -1.028 114.668 115.700 -0.007 0.000 3.667 338 S HA 0.134 4.604 4.470 0.000 0.000 0.640 338 S C 1.346 175.948 174.600 0.004 0.000 0.574 338 S CA 1.290 59.491 58.200 0.000 0.000 1.432 338 S CB -1.204 61.999 63.200 0.006 0.000 0.904 338 S HN 2.233 nan 8.310 nan 0.000 0.972 339 A N 4.573 127.392 122.820 -0.001 0.000 2.072 339 A HA 0.179 4.499 4.320 0.000 0.000 0.216 339 A C 1.897 179.508 177.584 0.045 0.000 1.156 339 A CA 0.904 52.945 52.037 0.006 0.000 0.701 339 A CB -0.122 18.864 19.000 -0.023 0.000 0.816 339 A HN 0.805 nan 8.150 nan 0.000 0.458 340 L N 0.191 121.434 121.223 0.033 0.000 2.131 340 L HA -0.095 4.245 4.340 0.000 0.000 0.210 340 L C 2.226 179.166 176.870 0.116 0.000 1.092 340 L CA 2.208 57.095 54.840 0.078 0.000 0.759 340 L CB -1.532 40.553 42.059 0.043 0.000 0.903 340 L HN 0.390 nan 8.230 nan 0.000 0.435 341 G N -0.851 107.988 108.800 0.066 0.000 2.422 341 G HA2 -0.293 3.668 3.960 0.000 0.000 0.218 341 G HA3 -0.293 3.668 3.960 0.000 0.000 0.218 341 G C 1.739 176.674 174.900 0.058 0.000 1.140 341 G CA 0.503 45.634 45.100 0.051 0.000 0.775 341 G HN 0.261 nan 8.290 nan 0.000 0.545 342 R N -0.692 119.850 120.500 0.069 0.000 2.119 342 R HA 0.159 4.500 4.340 0.000 0.000 0.222 342 R C 2.017 178.393 176.300 0.127 0.000 1.088 342 R CA 0.328 56.466 56.100 0.064 0.000 0.984 342 R CB -0.703 29.622 30.300 0.041 0.000 0.884 342 R HN 0.331 nan 8.270 nan 0.000 0.447 343 F N 1.373 121.322 119.950 -0.002 0.000 2.146 343 F HA -0.092 4.436 4.527 0.000 0.000 0.298 343 F C 2.086 177.906 175.800 0.034 0.000 1.096 343 F CA 1.706 59.717 58.000 0.018 0.000 1.275 343 F CB -0.281 38.725 39.000 0.010 0.000 1.008 343 F HN 0.141 nan 8.300 nan 0.000 0.480 344 E N 0.082 120.315 120.200 0.056 0.000 2.051 344 E HA -0.247 4.104 4.350 0.000 0.000 0.192 344 E C 2.400 178.956 176.600 -0.074 0.000 0.991 344 E CA 1.422 57.799 56.400 -0.038 0.000 0.799 344 E CB -0.118 29.594 29.700 0.021 0.000 0.748 344 E HN 0.394 nan 8.360 nan 0.000 0.449 345 R N -0.072 120.405 120.500 -0.037 0.000 2.096 345 R HA -0.118 4.223 4.340 0.000 0.000 0.235 345 R C 2.517 178.775 176.300 -0.070 0.000 1.127 345 R CA 1.525 57.598 56.100 -0.044 0.000 0.968 345 R CB -0.322 29.963 30.300 -0.026 0.000 0.861 345 R HN 0.358 nan 8.270 nan 0.000 0.440 346 M N 0.812 120.366 119.600 -0.078 0.000 2.077 346 M HA -0.140 4.340 4.480 0.000 0.000 0.261 346 M C 2.056 178.273 176.300 -0.139 0.000 1.070 346 M CA 1.642 56.894 55.300 -0.081 0.000 1.125 346 M CB -0.011 32.579 32.600 -0.017 0.000 1.339 346 M HN 0.134 nan 8.290 nan 0.000 0.409 347 L N 0.160 121.259 121.223 -0.206 0.000 1.990 347 L HA -0.228 4.113 4.340 0.000 0.000 0.213 347 L C 2.769 179.543 176.870 -0.161 0.000 1.072 347 L CA 1.589 56.333 54.840 -0.160 0.000 0.755 347 L CB -1.232 40.679 42.059 -0.247 0.000 0.889 347 L HN 0.405 nan 8.230 nan 0.000 0.432 348 A N 0.020 122.762 122.820 -0.130 0.000 1.877 348 A HA -0.160 4.160 4.320 0.000 0.000 0.216 348 A C 2.503 180.015 177.584 -0.121 0.000 1.186 348 A CA 1.792 53.768 52.037 -0.103 0.000 0.620 348 A CB -0.773 18.185 19.000 -0.070 0.000 0.822 348 A HN 0.420 nan 8.150 nan 0.000 0.443 349 A N -1.280 121.468 122.820 -0.121 0.000 2.019 349 A HA -0.132 4.188 4.320 0.000 0.000 0.219 349 A C 1.868 179.346 177.584 -0.177 0.000 1.164 349 A CA 1.433 53.401 52.037 -0.114 0.000 0.644 349 A CB -0.346 18.605 19.000 -0.083 0.000 0.805 349 A HN 0.634 nan 8.150 nan 0.000 0.449 350 Q N -1.663 117.959 119.800 -0.296 0.000 2.217 350 Q HA 0.329 4.670 4.340 0.000 0.000 0.226 350 Q C 0.966 176.669 176.000 -0.495 0.000 0.875 350 Q CA 0.285 55.792 55.803 -0.493 0.000 0.974 350 Q CB 0.177 28.357 28.738 -0.930 0.000 1.079 350 Q HN 0.804 nan 8.270 nan 0.000 0.463 351 G N -0.393 108.240 108.800 -0.278 0.000 2.254 351 G HA2 -0.240 3.720 3.960 0.000 0.000 0.225 351 G HA3 -0.240 3.720 3.960 0.000 0.000 0.225 351 G C 0.246 175.072 174.900 -0.123 0.000 1.003 351 G CA -0.116 44.872 45.100 -0.187 0.000 0.622 351 G HN 0.237 nan 8.290 nan 0.000 0.507 352 V N 2.814 122.653 119.914 -0.125 0.000 2.585 352 V HA 0.283 4.403 4.120 0.000 0.000 0.296 352 V C 0.928 176.995 176.094 -0.044 0.000 1.035 352 V CA -0.236 62.037 62.300 -0.044 0.000 1.084 352 V CB 1.460 33.279 31.823 -0.007 0.000 0.953 352 V HN 0.445 nan 8.190 nan 0.000 0.483 353 D N 6.505 126.891 120.400 -0.024 0.000 2.531 353 D HA -0.012 4.628 4.640 0.000 0.000 0.239 353 D C -1.509 174.777 176.300 -0.022 0.000 1.144 353 D CA -0.982 53.005 54.000 -0.021 0.000 0.869 353 D CB 1.692 42.486 40.800 -0.010 0.000 1.160 353 D HN 0.259 nan 8.370 nan 0.000 0.484 354 P HA -0.137 nan 4.420 nan 0.000 0.216 354 P C 1.264 178.555 177.300 -0.014 0.000 1.154 354 P CA 1.676 64.762 63.100 -0.023 0.000 0.865 354 P CB 0.070 31.758 31.700 -0.021 0.000 0.789 355 G N -0.253 108.542 108.800 -0.009 0.000 2.421 355 G HA2 -0.250 3.710 3.960 0.000 0.000 0.216 355 G HA3 -0.250 3.710 3.960 0.000 0.000 0.216 355 G C 1.454 176.354 174.900 0.001 0.000 1.171 355 G CA 0.630 45.728 45.100 -0.003 0.000 0.775 355 G HN 0.228 nan 8.290 nan 0.000 0.543 356 L N 1.516 122.739 121.223 0.001 0.000 2.046 356 L HA 0.146 4.486 4.340 0.000 0.000 0.208 356 L C 3.051 179.925 176.870 0.008 0.000 1.077 356 L CA 2.105 56.949 54.840 0.007 0.000 0.747 356 L CB -0.890 41.175 42.059 0.009 0.000 0.896 356 L HN 0.248 nan 8.230 nan 0.000 0.432 357 A N -0.174 122.643 122.820 -0.005 0.000 1.873 357 A HA -0.258 4.062 4.320 0.000 0.000 0.218 357 A C 2.436 180.023 177.584 0.005 0.000 1.193 357 A CA 2.105 54.134 52.037 -0.014 0.000 0.629 357 A CB -0.611 18.366 19.000 -0.039 0.000 0.826 357 A HN 0.531 nan 8.150 nan 0.000 0.447 358 R N -0.699 119.804 120.500 0.005 0.000 2.115 358 R HA -0.030 4.310 4.340 0.000 0.000 0.230 358 R C 2.492 178.805 176.300 0.020 0.000 1.111 358 R CA 1.010 57.118 56.100 0.013 0.000 0.976 358 R CB -0.473 29.831 30.300 0.007 0.000 0.870 358 R HN 0.539 nan 8.270 nan 0.000 0.445 359 A N 1.609 124.440 122.820 0.018 0.000 1.865 359 A HA -0.158 4.163 4.320 0.000 0.000 0.217 359 A C 2.187 179.790 177.584 0.031 0.000 1.191 359 A CA 1.200 53.249 52.037 0.021 0.000 0.623 359 A CB -0.695 18.315 19.000 0.018 0.000 0.826 359 A HN 0.185 nan 8.150 nan 0.000 0.444 360 L N -0.616 120.631 121.223 0.040 0.000 2.079 360 L HA -0.272 4.069 4.340 0.000 0.000 0.210 360 L C 2.902 179.816 176.870 0.073 0.000 1.081 360 L CA 1.543 56.420 54.840 0.061 0.000 0.752 360 L CB -0.679 41.430 42.059 0.083 0.000 0.896 360 L HN 0.783 nan 8.230 nan 0.000 0.433 361 C N -0.265 119.078 119.300 0.072 0.000 2.541 361 C HA -0.117 4.343 4.460 0.000 0.000 0.282 361 C C 3.254 178.271 174.990 0.045 0.000 1.263 361 C CA 1.088 60.150 59.018 0.074 0.000 1.709 361 C CB -0.752 27.030 27.740 0.070 0.000 2.097 361 C HN 0.642 nan 8.230 nan 0.000 0.480 362 S N 0.939 116.659 115.700 0.033 0.000 2.453 362 S HA 0.173 4.643 4.470 0.000 0.000 0.231 362 S C 1.163 175.775 174.600 0.020 0.000 1.005 362 S CA 0.667 58.880 58.200 0.023 0.000 0.949 362 S CB -1.087 62.123 63.200 0.018 0.000 0.774 362 S HN 0.972 nan 8.310 nan 0.000 0.510 363 G N 2.048 110.862 108.800 0.024 0.000 2.491 363 G HA2 0.409 4.369 3.960 0.000 0.000 0.238 363 G HA3 0.409 4.369 3.960 0.000 0.000 0.238 363 G C 0.080 174.990 174.900 0.017 0.000 1.277 363 G CA 0.031 45.143 45.100 0.020 0.000 0.851 363 G HN 0.571 nan 8.290 nan 0.000 0.573 364 S N 2.268 117.975 115.700 0.012 0.000 2.707 364 S HA 0.485 4.956 4.470 0.000 0.000 0.276 364 S C -1.467 173.137 174.600 0.008 0.000 1.179 364 S CA -1.086 57.119 58.200 0.008 0.000 0.992 364 S CB 2.044 65.248 63.200 0.006 0.000 1.030 364 S HN 0.251 nan 8.310 nan 0.000 0.554 365 P HA -0.223 nan 4.420 nan 0.000 0.214 365 P C 1.722 179.026 177.300 0.007 0.000 1.172 365 P CA 2.584 65.685 63.100 0.002 0.000 0.925 365 P CB -0.399 31.300 31.700 -0.002 0.000 0.793 366 A N -0.464 122.361 122.820 0.008 0.000 1.892 366 A HA -0.302 4.018 4.320 0.000 0.000 0.218 366 A C 2.137 179.729 177.584 0.013 0.000 1.188 366 A CA 2.232 54.275 52.037 0.011 0.000 0.631 366 A CB -1.390 17.614 19.000 0.008 0.000 0.822 366 A HN 0.261 nan 8.150 nan 0.000 0.447 367 E N -1.225 118.982 120.200 0.012 0.000 2.106 367 E HA -0.173 4.178 4.350 0.000 0.000 0.192 367 E C 2.315 178.926 176.600 0.018 0.000 0.984 367 E CA 1.034 57.443 56.400 0.014 0.000 0.806 367 E CB -0.112 29.596 29.700 0.013 0.000 0.750 367 E HN 0.507 nan 8.360 nan 0.000 0.458 368 R N 0.752 121.263 120.500 0.018 0.000 2.073 368 R HA -0.112 4.229 4.340 0.000 0.000 0.234 368 R C 2.201 178.514 176.300 0.022 0.000 1.134 368 R CA 1.288 57.402 56.100 0.023 0.000 0.952 368 R CB 0.015 30.327 30.300 0.020 0.000 0.850 368 R HN -0.103 nan 8.270 nan 0.000 0.433 369 R N 0.095 120.606 120.500 0.019 0.000 2.083 369 R HA -0.061 4.279 4.340 0.000 0.000 0.237 369 R C 2.169 178.484 176.300 0.025 0.000 1.137 369 R CA 1.376 57.490 56.100 0.022 0.000 0.951 369 R CB -0.489 29.828 30.300 0.027 0.000 0.851 369 R HN 0.242 nan 8.270 nan 0.000 0.434 370 Q N 0.032 119.845 119.800 0.022 0.000 2.291 370 Q HA -0.051 4.289 4.340 0.000 0.000 0.206 370 Q C 1.890 177.902 176.000 0.020 0.000 0.976 370 Q CA 1.078 56.893 55.803 0.020 0.000 0.875 370 Q CB 0.032 28.780 28.738 0.016 0.000 0.927 370 Q HN 0.390 nan 8.270 nan 0.000 0.450 371 L N -0.401 120.835 121.223 0.022 0.000 2.418 371 L HA 0.081 4.421 4.340 0.000 0.000 0.218 371 L C 0.828 177.714 176.870 0.026 0.000 1.125 371 L CA 0.190 55.044 54.840 0.023 0.000 0.835 371 L CB 0.064 42.138 42.059 0.026 0.000 0.953 371 L HN 0.039 nan 8.230 nan 0.000 0.454 372 L N -0.783 120.457 121.223 0.027 0.000 2.332 372 L HA 0.440 4.780 4.340 0.000 0.000 0.269 372 L C -2.266 174.621 176.870 0.028 0.000 1.016 372 L CA -2.139 52.718 54.840 0.028 0.000 0.809 372 L CB 0.902 42.978 42.059 0.028 0.000 1.280 372 L HN -0.301 nan 8.230 nan 0.000 0.447 373 P HA 0.164 nan 4.420 nan 0.000 0.267 373 P C -1.173 176.151 177.300 0.040 0.000 1.205 373 P CA 0.067 63.185 63.100 0.029 0.000 0.765 373 P CB 0.429 32.145 31.700 0.025 0.000 0.828 374 R N 2.215 122.742 120.500 0.046 0.000 2.589 374 R HA 0.700 5.040 4.340 0.000 0.000 0.293 374 R C -0.052 176.292 176.300 0.073 0.000 0.963 374 R CA -1.025 55.120 56.100 0.074 0.000 0.905 374 R CB 1.832 32.172 30.300 0.067 0.000 1.144 374 R HN 0.455 nan 8.270 nan 0.000 0.459 375 A N 1.735 124.626 122.820 0.118 0.000 2.448 375 A HA 0.022 4.343 4.320 0.000 0.000 0.239 375 A C 1.288 178.889 177.584 0.029 0.000 1.080 375 A CA 0.038 52.124 52.037 0.082 0.000 0.779 375 A CB 0.334 19.412 19.000 0.129 0.000 1.026 375 A HN 0.978 nan 8.150 nan 0.000 0.499 376 R N -0.382 120.124 120.500 0.010 0.000 2.070 376 R HA -0.109 4.231 4.340 0.000 0.000 0.233 376 R C 0.548 176.829 176.300 -0.031 0.000 1.137 376 R CA 1.977 58.073 56.100 -0.007 0.000 0.945 376 R CB 0.000 30.297 30.300 -0.006 0.000 0.845 376 R HN 0.843 nan 8.270 nan 0.000 0.430 377 E N -0.838 119.334 120.200 -0.047 0.000 2.370 377 E HA 0.260 4.611 4.350 0.000 0.000 0.259 377 E C -1.738 174.771 176.600 -0.153 0.000 0.947 377 E CA -0.682 55.670 56.400 -0.081 0.000 0.809 377 E CB 1.641 31.306 29.700 -0.059 0.000 1.300 377 E HN 0.050 nan 8.360 nan 0.000 0.419 378 Q N 0.427 120.121 119.800 -0.177 0.000 2.285 378 Q HA 0.431 4.771 4.340 0.000 0.000 0.269 378 Q C -1.533 174.368 176.000 -0.165 0.000 1.030 378 Q CA -0.460 55.184 55.803 -0.265 0.000 0.788 378 Q CB 2.153 30.685 28.738 -0.343 0.000 1.266 378 Q HN 0.393 nan 8.270 nan 0.000 0.438 379 E N 1.633 121.746 120.200 -0.145 0.000 2.210 379 E HA 0.398 4.748 4.350 0.000 0.000 0.266 379 E C -1.041 175.483 176.600 -0.127 0.000 0.883 379 E CA -0.410 55.926 56.400 -0.107 0.000 0.761 379 E CB 1.201 30.854 29.700 -0.078 0.000 1.156 379 E HN 0.527 nan 8.360 nan 0.000 0.412 380 E N 3.533 123.660 120.200 -0.121 0.000 2.207 380 E HA 0.415 4.765 4.350 0.000 0.000 0.270 380 E C -0.688 175.815 176.600 -0.162 0.000 0.927 380 E CA -0.790 55.515 56.400 -0.158 0.000 0.799 380 E CB 1.934 31.562 29.700 -0.120 0.000 1.172 380 E HN 0.404 nan 8.360 nan 0.000 0.404 381 L N 2.840 123.892 121.223 -0.285 0.000 2.325 381 L HA 0.491 4.831 4.340 0.000 0.000 0.278 381 L C -0.541 176.284 176.870 -0.075 0.000 1.023 381 L CA -0.823 53.893 54.840 -0.208 0.000 0.811 381 L CB 0.854 42.688 42.059 -0.377 0.000 1.249 381 L HN 0.315 nan 8.230 nan 0.000 0.431 382 L N 2.230 123.542 121.223 0.150 0.000 2.317 382 L HA 0.551 4.891 4.340 0.000 0.000 0.281 382 L C 0.497 177.584 176.870 0.361 0.000 1.024 382 L CA -0.864 54.112 54.840 0.226 0.000 0.810 382 L CB 1.734 43.861 42.059 0.113 0.000 1.240 382 L HN 0.693 nan 8.230 nan 0.000 0.427 383 A N 4.751 127.774 122.820 0.338 0.000 2.563 383 A HA 0.097 4.417 4.320 0.000 0.000 0.256 383 A C -1.229 176.392 177.584 0.062 0.000 1.056 383 A CA -0.632 51.486 52.037 0.135 0.000 0.775 383 A CB -0.461 18.579 19.000 0.067 0.000 0.973 383 A HN 0.653 nan 8.150 nan 0.000 0.516 384 P HA 0.082 nan 4.420 nan 0.000 0.228 384 P C 0.296 177.590 177.300 -0.009 0.000 1.151 384 P CA 1.785 64.890 63.100 0.008 0.000 0.770 384 P CB 0.034 31.724 31.700 -0.016 0.000 0.786 385 A N -1.228 121.577 122.820 -0.025 0.000 2.490 385 A HA 0.320 4.640 4.320 0.000 0.000 0.292 385 A C -1.325 176.243 177.584 -0.027 0.000 1.047 385 A CA -0.774 51.250 52.037 -0.022 0.000 0.632 385 A CB 0.037 19.021 19.000 -0.027 0.000 1.323 385 A HN -0.151 nan 8.150 nan 0.000 0.448 386 D N -0.215 120.175 120.400 -0.018 0.000 2.361 386 D HA 0.502 5.142 4.640 0.000 0.000 0.239 386 D C 0.562 176.847 176.300 -0.025 0.000 1.200 386 D CA 1.806 55.796 54.000 -0.016 0.000 0.915 386 D CB 1.322 42.116 40.800 -0.009 0.000 1.170 386 D HN 1.484 nan 8.370 nan 0.000 0.444 387 G N -0.354 108.432 108.800 -0.023 0.000 2.369 387 G HA2 0.064 4.024 3.960 0.000 0.000 0.307 387 G HA3 0.064 4.024 3.960 0.000 0.000 0.307 387 G C -1.178 173.707 174.900 -0.026 0.000 1.327 387 G CA -0.853 44.233 45.100 -0.023 0.000 0.963 387 G HN 0.367 nan 8.290 nan 0.000 0.590 388 T N 0.450 114.997 114.554 -0.012 0.000 2.795 388 T HA 0.496 4.846 4.350 0.000 0.000 0.282 388 T C 0.497 175.184 174.700 -0.022 0.000 0.980 388 T CA -0.354 61.736 62.100 -0.016 0.000 1.012 388 T CB 1.738 70.631 68.868 0.041 0.000 0.936 388 T HN 0.809 nan 8.240 nan 0.000 0.457 389 V N 4.044 123.912 119.914 -0.076 0.000 2.390 389 V HA 0.049 4.170 4.120 0.000 0.000 0.260 389 V C 1.532 177.621 176.094 -0.009 0.000 1.043 389 V CA 0.248 62.503 62.300 -0.075 0.000 1.047 389 V CB 0.105 31.870 31.823 -0.096 0.000 1.066 389 V HN 0.894 nan 8.190 nan 0.000 0.481 390 E N 4.601 124.855 120.200 0.090 0.000 2.230 390 E HA 0.098 4.449 4.350 0.000 0.000 0.192 390 E C 0.073 176.785 176.600 0.187 0.000 0.987 390 E CA 0.576 57.125 56.400 0.248 0.000 0.841 390 E CB 0.308 30.091 29.700 0.139 0.000 0.783 390 E HN 0.543 nan 8.360 nan 0.000 0.481 391 L N -1.514 119.748 121.223 0.066 0.000 2.845 391 L HA 0.337 4.678 4.340 0.000 0.000 0.256 391 L C -1.901 174.965 176.870 -0.006 0.000 0.968 391 L CA -0.638 54.229 54.840 0.044 0.000 0.944 391 L CB 1.804 43.888 42.059 0.041 0.000 1.494 391 L HN -0.273 nan 8.230 nan 0.000 0.419 392 V N 4.202 124.129 119.914 0.021 0.000 2.266 392 V HA 0.478 4.598 4.120 0.000 0.000 0.271 392 V C 0.136 176.259 176.094 0.048 0.000 1.032 392 V CA -0.567 61.759 62.300 0.044 0.000 0.806 392 V CB 1.030 32.924 31.823 0.119 0.000 1.052 392 V HN 0.634 nan 8.190 nan 0.000 0.449 393 R N 2.952 123.467 120.500 0.026 0.000 2.483 393 R HA 0.106 4.446 4.340 0.000 0.000 0.329 393 R C 1.459 177.779 176.300 0.033 0.000 0.961 393 R CA 0.487 56.599 56.100 0.021 0.000 1.041 393 R CB 0.670 30.972 30.300 0.004 0.000 0.930 393 R HN 0.817 nan 8.270 nan 0.000 0.413 394 A N 4.464 127.295 122.820 0.019 0.000 1.877 394 A HA -0.199 4.121 4.320 0.000 0.000 0.216 394 A C 1.965 179.545 177.584 -0.007 0.000 1.186 394 A CA 1.032 53.080 52.037 0.018 0.000 0.620 394 A CB -0.286 18.721 19.000 0.012 0.000 0.822 394 A HN 0.668 nan 8.150 nan 0.000 0.443 395 L N 0.567 121.753 121.223 -0.062 0.000 1.971 395 L HA -0.106 4.235 4.340 0.000 0.000 0.215 395 L C -0.693 176.121 176.870 -0.093 0.000 1.072 395 L CA 2.710 57.454 54.840 -0.160 0.000 0.758 395 L CB -1.354 40.578 42.059 -0.211 0.000 0.889 395 L HN 0.174 nan 8.230 nan 0.000 0.433 396 P HA -0.194 nan 4.420 nan 0.000 0.216 396 P C 2.222 179.540 177.300 0.030 0.000 1.150 396 P CA 1.450 64.549 63.100 -0.001 0.000 0.843 396 P CB -0.047 31.669 31.700 0.026 0.000 0.787 397 L N -1.141 120.109 121.223 0.046 0.000 1.994 397 L HA -0.198 4.143 4.340 0.000 0.000 0.208 397 L C 2.376 179.277 176.870 0.053 0.000 1.071 397 L CA 1.770 56.647 54.840 0.061 0.000 0.745 397 L CB -0.961 41.138 42.059 0.067 0.000 0.892 397 L HN -0.031 nan 8.230 nan 0.000 0.431 398 A N -0.035 122.814 122.820 0.049 0.000 1.858 398 A HA -0.217 4.104 4.320 0.000 0.000 0.216 398 A C 2.170 179.819 177.584 0.109 0.000 1.190 398 A CA 1.510 53.601 52.037 0.091 0.000 0.617 398 A CB -0.853 18.235 19.000 0.147 0.000 0.827 398 A HN 0.389 nan 8.150 nan 0.000 0.443 399 L N -0.460 120.787 121.223 0.041 0.000 1.997 399 L HA -0.255 4.086 4.340 0.000 0.000 0.216 399 L C 2.595 179.526 176.870 0.103 0.000 1.074 399 L CA 1.817 56.675 54.840 0.029 0.000 0.763 399 L CB -0.823 41.218 42.059 -0.029 0.000 0.890 399 L HN 0.294 nan 8.230 nan 0.000 0.434 400 V N -0.555 119.406 119.914 0.079 0.000 2.307 400 V HA -0.263 3.857 4.120 0.000 0.000 0.245 400 V C 2.456 178.607 176.094 0.095 0.000 1.045 400 V CA 1.202 63.551 62.300 0.081 0.000 1.024 400 V CB -0.441 31.418 31.823 0.059 0.000 0.651 400 V HN 0.305 nan 8.190 nan 0.000 0.449 401 L N -0.054 121.223 121.223 0.089 0.000 2.079 401 L HA -0.241 4.100 4.340 0.000 0.000 0.210 401 L C 2.459 179.393 176.870 0.107 0.000 1.081 401 L CA 2.547 57.433 54.840 0.078 0.000 0.752 401 L CB -1.636 40.456 42.059 0.056 0.000 0.896 401 L HN 0.559 nan 8.230 nan 0.000 0.433 402 H N 1.112 120.212 119.070 0.050 0.000 2.289 402 H HA -0.223 4.333 4.556 0.000 0.000 0.296 402 H C 2.061 177.418 175.328 0.049 0.000 1.091 402 H CA 2.275 58.359 56.048 0.060 0.000 1.274 402 H CB 0.142 29.943 29.762 0.066 0.000 1.364 402 H HN 0.540 nan 8.280 nan 0.000 0.490 403 E N 0.286 120.596 120.200 0.182 0.000 2.511 403 E HA -0.056 4.295 4.350 0.000 0.000 0.196 403 E C 1.325 177.945 176.600 0.032 0.000 1.066 403 E CA 0.503 56.963 56.400 0.100 0.000 0.871 403 E CB 0.002 29.781 29.700 0.132 0.000 0.863 403 E HN 0.536 nan 8.360 nan 0.000 0.520 404 L N 0.287 121.526 121.223 0.027 0.000 2.611 404 L HA 0.315 4.656 4.340 0.000 0.000 0.229 404 L C 1.176 178.046 176.870 -0.000 0.000 1.137 404 L CA 0.370 55.220 54.840 0.018 0.000 0.901 404 L CB 0.327 42.403 42.059 0.029 0.000 1.098 404 L HN 0.447 nan 8.230 nan 0.000 0.456 405 G N -0.578 108.201 108.800 -0.035 0.000 2.168 405 G HA2 -0.228 3.732 3.960 0.000 0.000 0.197 405 G HA3 -0.228 3.732 3.960 0.000 0.000 0.197 405 G C 0.767 175.642 174.900 -0.041 0.000 0.997 405 G CA 0.127 45.197 45.100 -0.050 0.000 0.658 405 G HN 0.330 nan 8.290 nan 0.000 0.513 406 A N -0.256 122.553 122.820 -0.017 0.000 2.178 406 A HA 0.688 5.008 4.320 0.000 0.000 0.211 406 A C 1.403 179.021 177.584 0.058 0.000 1.157 406 A CA 1.741 53.833 52.037 0.092 0.000 0.780 406 A CB 0.109 19.178 19.000 0.115 0.000 0.828 406 A HN 1.779 nan 8.150 nan 0.000 0.476 407 G N -0.831 107.826 108.800 -0.239 0.000 2.533 407 G HA2 0.557 4.517 3.960 0.000 0.000 0.304 407 G HA3 0.557 4.517 3.960 0.000 0.000 0.304 407 G C -0.654 173.980 174.900 -0.443 0.000 1.263 407 G CA -0.843 44.022 45.100 -0.391 0.000 0.964 407 G HN 0.252 nan 8.290 nan 0.000 0.479 408 R N -0.042 120.386 120.500 -0.119 0.000 2.500 408 R HA 0.518 4.859 4.340 0.000 0.000 0.275 408 R C 0.322 176.659 176.300 0.061 0.000 1.051 408 R CA -0.417 55.664 56.100 -0.033 0.000 1.088 408 R CB 1.661 31.980 30.300 0.032 0.000 1.063 408 R HN 0.479 nan 8.270 nan 0.000 0.511 409 S N 0.283 116.011 115.700 0.047 0.000 2.687 409 S HA 0.266 4.736 4.470 0.000 0.000 0.247 409 S C 0.170 174.806 174.600 0.060 0.000 1.050 409 S CA -0.093 58.161 58.200 0.091 0.000 1.063 409 S CB 0.410 63.659 63.200 0.081 0.000 1.039 409 S HN 0.495 nan 8.310 nan 0.000 0.580 410 R N -0.803 119.722 120.500 0.042 0.000 3.404 410 R HA 0.701 5.042 4.340 0.000 0.000 0.243 410 R C 0.936 177.258 176.300 0.037 0.000 1.474 410 R CA -0.064 56.058 56.100 0.036 0.000 1.018 410 R CB -0.118 30.197 30.300 0.026 0.000 1.568 410 R HN 0.072 nan 8.270 nan 0.000 0.498 411 A N 0.102 122.941 122.820 0.032 0.000 2.028 411 A HA 0.113 4.433 4.320 0.000 0.000 0.213 411 A C 1.566 179.171 177.584 0.035 0.000 1.486 411 A CA 1.287 53.346 52.037 0.037 0.000 0.597 411 A CB -1.376 17.643 19.000 0.032 0.000 1.089 411 A HN 0.687 nan 8.150 nan 0.000 0.489 412 G N -0.382 108.433 108.800 0.024 0.000 3.262 412 G HA2 0.246 4.207 3.960 0.000 0.000 0.228 412 G HA3 0.246 4.207 3.960 0.000 0.000 0.228 412 G C 0.324 175.227 174.900 0.004 0.000 1.197 412 G CA 0.305 45.415 45.100 0.017 0.000 0.819 412 G HN 0.655 nan 8.290 nan 0.000 0.531 413 E N 1.531 121.733 120.200 0.004 0.000 2.868 413 E HA -0.002 4.349 4.350 0.000 0.000 0.246 413 E C -1.958 174.627 176.600 -0.024 0.000 0.962 413 E CA -1.103 55.293 56.400 -0.008 0.000 0.955 413 E CB 0.527 30.223 29.700 -0.007 0.000 0.903 413 E HN 0.114 nan 8.360 nan 0.000 0.524 414 P HA 0.026 nan 4.420 nan 0.000 0.269 414 P C -0.707 176.557 177.300 -0.060 0.000 1.209 414 P CA 0.208 63.284 63.100 -0.040 0.000 0.776 414 P CB 0.547 32.230 31.700 -0.030 0.000 0.876 415 L N 2.835 124.004 121.223 -0.090 0.000 2.352 415 L HA 0.453 4.793 4.340 0.000 0.000 0.269 415 L C 0.988 177.806 176.870 -0.087 0.000 1.034 415 L CA -0.804 53.968 54.840 -0.114 0.000 0.806 415 L CB 1.111 43.036 42.059 -0.222 0.000 1.244 415 L HN 0.206 nan 8.230 nan 0.000 0.447 416 R N 2.336 122.804 120.500 -0.053 0.000 2.565 416 R HA 0.233 4.573 4.340 0.000 0.000 0.286 416 R C 0.834 177.138 176.300 0.007 0.000 1.256 416 R CA -0.259 55.830 56.100 -0.018 0.000 1.238 416 R CB 0.216 30.516 30.300 -0.000 0.000 1.153 416 R HN 0.608 nan 8.270 nan 0.000 0.553 417 L N 0.447 121.655 121.223 -0.025 0.000 2.351 417 L HA -0.154 4.187 4.340 0.000 0.000 0.220 417 L C 2.006 178.926 176.870 0.082 0.000 1.127 417 L CA 1.402 56.249 54.840 0.011 0.000 0.786 417 L CB -0.283 41.755 42.059 -0.034 0.000 0.914 417 L HN 0.706 nan 8.230 nan 0.000 0.443 418 G N -0.777 108.058 108.800 0.058 0.000 2.838 418 G HA2 0.104 4.064 3.960 0.000 0.000 0.210 418 G HA3 0.104 4.064 3.960 0.000 0.000 0.210 418 G C 0.657 175.602 174.900 0.075 0.000 1.153 418 G CA -0.175 44.962 45.100 0.062 0.000 0.778 418 G HN 0.068 nan 8.290 nan 0.000 0.539 419 V N 0.863 120.826 119.914 0.081 0.000 2.655 419 V HA 0.586 4.706 4.120 0.000 0.000 0.300 419 V C 0.942 177.068 176.094 0.053 0.000 1.044 419 V CA 1.032 63.380 62.300 0.081 0.000 1.095 419 V CB 0.708 32.572 31.823 0.069 0.000 0.952 419 V HN 0.525 nan 8.190 nan 0.000 0.485 420 G N 2.946 111.767 108.800 0.035 0.000 2.356 420 G HA2 0.715 4.675 3.960 0.000 0.000 0.281 420 G HA3 0.715 4.675 3.960 0.000 0.000 0.281 420 G C -1.355 173.525 174.900 -0.033 0.000 1.246 420 G CA 0.077 45.154 45.100 -0.039 0.000 0.889 420 G HN 1.244 nan 8.290 nan 0.000 0.486 421 A N -0.742 122.022 122.820 -0.093 0.000 2.572 421 A HA 0.830 5.150 4.320 0.000 0.000 0.295 421 A C -1.189 176.333 177.584 -0.104 0.000 1.072 421 A CA -0.418 51.581 52.037 -0.062 0.000 0.691 421 A CB 1.855 20.824 19.000 -0.052 0.000 1.291 421 A HN 0.533 nan 8.150 nan 0.000 0.404 422 E N 1.330 121.490 120.200 -0.067 0.000 2.155 422 E HA 0.370 4.720 4.350 0.000 0.000 0.264 422 E C -1.175 175.391 176.600 -0.057 0.000 0.886 422 E CA -0.494 55.869 56.400 -0.062 0.000 0.752 422 E CB 1.686 31.376 29.700 -0.015 0.000 1.133 422 E HN 0.586 nan 8.360 nan 0.000 0.414 423 L N 5.398 126.604 121.223 -0.030 0.000 2.433 423 L HA 0.091 4.431 4.340 0.000 0.000 0.284 423 L C 0.959 177.840 176.870 0.018 0.000 1.120 423 L CA 0.051 54.898 54.840 0.012 0.000 0.879 423 L CB 0.247 42.335 42.059 0.048 0.000 1.232 423 L HN 0.579 nan 8.230 nan 0.000 0.454 424 L N 4.348 125.577 121.223 0.011 0.000 2.627 424 L HA 0.140 4.480 4.340 0.000 0.000 0.233 424 L C -0.065 176.844 176.870 0.064 0.000 1.144 424 L CA 0.069 54.922 54.840 0.021 0.000 0.892 424 L CB -0.134 41.920 42.059 -0.009 0.000 1.039 424 L HN 0.344 nan 8.230 nan 0.000 0.442 425 V N -1.592 118.382 119.914 0.100 0.000 3.087 425 V HA 0.358 4.478 4.120 0.000 0.000 0.306 425 V C -0.899 175.230 176.094 0.059 0.000 1.187 425 V CA -0.987 61.368 62.300 0.092 0.000 0.999 425 V CB 3.125 35.041 31.823 0.155 0.000 1.049 425 V HN -0.032 nan 8.190 nan 0.000 0.431 426 D N 0.899 121.305 120.400 0.009 0.000 2.272 426 D HA 0.527 5.168 4.640 0.000 0.000 0.247 426 D C -0.648 175.613 176.300 -0.067 0.000 0.990 426 D CA -0.316 53.672 54.000 -0.021 0.000 0.931 426 D CB 2.684 43.460 40.800 -0.040 0.000 1.195 426 D HN 0.248 nan 8.370 nan 0.000 0.477 427 V N 0.575 120.445 119.914 -0.075 0.000 2.614 427 V HA 0.428 4.548 4.120 0.000 0.000 0.291 427 V C 1.423 177.286 176.094 -0.385 0.000 1.049 427 V CA 0.884 63.103 62.300 -0.135 0.000 1.038 427 V CB 0.738 32.555 31.823 -0.009 0.000 0.980 427 V HN 1.030 nan 8.190 nan 0.000 0.481 428 G N 3.115 111.450 108.800 -0.776 0.000 2.284 428 G HA2 -0.185 3.776 3.960 0.000 0.000 0.216 428 G HA3 -0.185 3.776 3.960 0.000 0.000 0.216 428 G C 0.261 174.765 174.900 -0.660 0.000 1.009 428 G CA 0.220 44.480 45.100 -1.399 0.000 0.625 428 G HN 0.934 nan 8.290 nan 0.000 0.501 429 Q N 0.647 120.237 119.800 -0.350 0.000 2.260 429 Q HA 0.733 5.073 4.340 0.000 0.000 0.238 429 Q C 0.269 176.191 176.000 -0.130 0.000 0.948 429 Q CA -0.659 55.032 55.803 -0.187 0.000 0.895 429 Q CB 1.330 29.999 28.738 -0.115 0.000 1.218 429 Q HN 0.502 nan 8.270 nan 0.000 0.470 430 R N 1.246 121.699 120.500 -0.078 0.000 2.691 430 R HA 0.758 5.098 4.340 0.000 0.000 0.259 430 R C -0.886 175.395 176.300 -0.031 0.000 1.048 430 R CA -0.566 55.505 56.100 -0.047 0.000 1.086 430 R CB 0.864 31.147 30.300 -0.028 0.000 1.166 430 R HN 0.805 nan 8.270 nan 0.000 0.526 431 L N -1.503 119.707 121.223 -0.022 0.000 2.775 431 L HA 0.595 4.935 4.340 0.000 0.000 0.263 431 L C -1.529 175.338 176.870 -0.004 0.000 1.017 431 L CA -1.447 53.388 54.840 -0.007 0.000 0.891 431 L CB 1.777 43.838 42.059 0.004 0.000 1.482 431 L HN 0.704 nan 8.230 nan 0.000 0.410 432 R N 0.203 120.708 120.500 0.007 0.000 2.637 432 R HA 0.673 5.014 4.340 0.000 0.000 0.291 432 R C -1.096 175.215 176.300 0.018 0.000 0.963 432 R CA -1.023 55.082 56.100 0.008 0.000 0.901 432 R CB 1.528 31.833 30.300 0.009 0.000 1.160 432 R HN 0.715 nan 8.270 nan 0.000 0.457 433 R N 1.206 121.714 120.500 0.014 0.000 2.638 433 R HA 0.212 4.552 4.340 0.000 0.000 0.351 433 R C 0.767 177.087 176.300 0.033 0.000 0.871 433 R CA 0.728 56.842 56.100 0.023 0.000 1.091 433 R CB -0.552 29.757 30.300 0.015 0.000 0.900 433 R HN 1.078 nan 8.270 nan 0.000 0.405 434 G N 0.789 109.620 108.800 0.052 0.000 2.624 434 G HA2 -0.233 3.728 3.960 0.000 0.000 0.190 434 G HA3 -0.233 3.728 3.960 0.000 0.000 0.190 434 G C 0.096 175.033 174.900 0.061 0.000 1.008 434 G CA -0.167 44.963 45.100 0.050 0.000 0.731 434 G HN 0.795 nan 8.290 nan 0.000 0.478 435 T N 4.725 119.321 114.554 0.069 0.000 2.769 435 T HA 0.506 4.856 4.350 0.000 0.000 0.293 435 T C -2.051 172.723 174.700 0.124 0.000 0.931 435 T CA -0.892 61.253 62.100 0.076 0.000 1.139 435 T CB 0.891 69.799 68.868 0.066 0.000 0.881 435 T HN 0.187 nan 8.240 nan 0.000 0.532 436 P HA 0.032 nan 4.420 nan 0.000 0.262 436 P C 0.712 178.073 177.300 0.103 0.000 1.199 436 P CA -0.147 62.987 63.100 0.057 0.000 0.763 436 P CB 0.351 32.044 31.700 -0.011 0.000 0.790 437 W N 4.782 126.080 121.300 -0.003 0.000 3.013 437 W HA 0.335 4.996 4.660 0.000 0.000 0.280 437 W C -1.124 175.396 176.519 0.001 0.000 1.249 437 W CA -0.101 57.242 57.345 -0.004 0.000 1.577 437 W CB -0.146 29.310 29.460 -0.006 0.000 1.057 437 W HN 0.122 nan 8.180 nan 0.000 0.613 438 L N 1.796 122.524 121.223 -0.824 0.000 2.464 438 L HA 0.548 4.888 4.340 0.000 0.000 0.266 438 L C -0.817 175.773 176.870 -0.465 0.000 0.965 438 L CA -1.228 53.138 54.840 -0.790 0.000 0.833 438 L CB 2.161 43.271 42.059 -1.581 0.000 1.296 438 L HN -0.023 nan 8.230 nan 0.000 0.405 439 R N 4.325 124.682 120.500 -0.239 0.000 2.246 439 R HA 0.701 5.041 4.340 0.000 0.000 0.332 439 R C -1.661 174.636 176.300 -0.006 0.000 0.974 439 R CA -0.559 55.474 56.100 -0.110 0.000 0.837 439 R CB 1.211 31.508 30.300 -0.005 0.000 1.145 439 R HN 0.595 nan 8.270 nan 0.000 0.467 440 V N 5.213 125.095 119.914 -0.054 0.000 2.432 440 V HA 0.204 4.324 4.120 0.000 0.000 0.275 440 V C 0.114 176.236 176.094 0.048 0.000 1.043 440 V CA -0.455 61.854 62.300 0.015 0.000 0.925 440 V CB 1.189 32.984 31.823 -0.047 0.000 0.985 440 V HN 0.766 nan 8.190 nan 0.000 0.466 441 H N 6.453 125.490 119.070 -0.054 0.000 2.641 441 H HA 0.464 5.020 4.556 0.000 0.000 0.295 441 H C 0.132 175.446 175.328 -0.023 0.000 1.070 441 H CA -0.515 55.512 56.048 -0.035 0.000 1.257 441 H CB 1.039 30.785 29.762 -0.028 0.000 1.393 441 H HN 0.681 nan 8.280 nan 0.000 0.464 442 R N 1.720 122.246 120.500 0.044 0.000 2.892 442 R HA 0.340 4.681 4.340 0.000 0.000 0.265 442 R C -0.919 175.390 176.300 0.015 0.000 1.025 442 R CA -0.801 55.316 56.100 0.028 0.000 0.982 442 R CB 1.481 31.785 30.300 0.006 0.000 1.185 442 R HN 0.283 nan 8.270 nan 0.000 0.484 443 D N -0.101 120.307 120.400 0.013 0.000 2.455 443 D HA 0.142 4.783 4.640 0.000 0.000 0.228 443 D C 0.911 177.212 176.300 0.000 0.000 1.070 443 D CA 0.636 54.640 54.000 0.007 0.000 0.881 443 D CB 0.695 41.502 40.800 0.010 0.000 1.087 443 D HN 0.671 nan 8.370 nan 0.000 0.498 444 G N 1.076 109.877 108.800 0.001 0.000 2.714 444 G HA2 0.401 4.361 3.960 0.000 0.000 0.197 444 G HA3 0.401 4.361 3.960 0.000 0.000 0.197 444 G C -2.202 172.696 174.900 -0.003 0.000 1.449 444 G CA -0.505 44.595 45.100 -0.000 0.000 1.065 444 G HN -0.028 nan 8.290 nan 0.000 0.575 445 P HA 0.371 nan 4.420 nan 0.000 0.271 445 P C 0.062 177.359 177.300 -0.005 0.000 1.244 445 P CA -0.101 62.997 63.100 -0.003 0.000 0.793 445 P CB 0.364 32.064 31.700 0.001 0.000 0.984 446 A N 1.145 123.960 122.820 -0.008 0.000 2.429 446 A HA 0.173 4.493 4.320 0.000 0.000 0.242 446 A C 0.230 177.811 177.584 -0.005 0.000 1.088 446 A CA -0.297 51.733 52.037 -0.011 0.000 0.784 446 A CB -0.697 18.296 19.000 -0.012 0.000 1.038 446 A HN 0.529 nan 8.150 nan 0.000 0.501 447 L N 1.152 122.371 121.223 -0.006 0.000 2.506 447 L HA 0.136 4.476 4.340 0.000 0.000 0.281 447 L C 1.292 178.167 176.870 0.008 0.000 1.228 447 L CA 0.150 54.991 54.840 0.002 0.000 0.850 447 L CB 0.284 42.342 42.059 -0.001 0.000 1.110 447 L HN 0.939 nan 8.230 nan 0.000 0.496 448 S N 1.175 116.884 115.700 0.015 0.000 2.738 448 S HA 0.431 4.901 4.470 0.000 0.000 0.284 448 S C 1.051 175.663 174.600 0.021 0.000 1.146 448 S CA -0.307 57.903 58.200 0.016 0.000 0.997 448 S CB 1.432 64.642 63.200 0.017 0.000 1.081 448 S HN 0.725 nan 8.310 nan 0.000 0.553 449 G N 1.449 110.260 108.800 0.020 0.000 2.552 449 G HA2 -0.090 3.870 3.960 0.000 0.000 0.216 449 G HA3 -0.090 3.870 3.960 0.000 0.000 0.216 449 G C -0.696 174.220 174.900 0.027 0.000 1.240 449 G CA 0.933 46.046 45.100 0.023 0.000 0.796 449 G HN 0.699 nan 8.290 nan 0.000 0.568 450 P HA -0.133 nan 4.420 nan 0.000 0.220 450 P C 1.518 178.838 177.300 0.033 0.000 1.144 450 P CA 1.337 64.453 63.100 0.027 0.000 0.800 450 P CB -0.064 31.650 31.700 0.023 0.000 0.772 451 Q N -0.367 119.453 119.800 0.034 0.000 2.083 451 Q HA -0.045 4.295 4.340 0.000 0.000 0.198 451 Q C 2.472 178.502 176.000 0.049 0.000 0.969 451 Q CA 1.403 57.230 55.803 0.039 0.000 0.838 451 Q CB -0.389 28.368 28.738 0.032 0.000 0.900 451 Q HN 0.249 nan 8.270 nan 0.000 0.436 452 S N 0.800 116.529 115.700 0.047 0.000 2.368 452 S HA -0.106 4.365 4.470 0.000 0.000 0.224 452 S C 1.831 176.484 174.600 0.087 0.000 1.029 452 S CA 0.987 59.225 58.200 0.065 0.000 0.988 452 S CB -0.130 63.101 63.200 0.052 0.000 0.838 452 S HN 0.285 nan 8.310 nan 0.000 0.462 453 R N 1.354 121.893 120.500 0.064 0.000 2.073 453 R HA -0.026 4.314 4.340 0.000 0.000 0.234 453 R C 2.622 178.962 176.300 0.065 0.000 1.134 453 R CA 1.321 57.456 56.100 0.059 0.000 0.952 453 R CB -0.575 29.748 30.300 0.038 0.000 0.850 453 R HN 0.407 nan 8.270 nan 0.000 0.433 454 A N 1.193 124.050 122.820 0.062 0.000 1.908 454 A HA -0.138 4.183 4.320 0.000 0.000 0.218 454 A C 2.172 179.814 177.584 0.097 0.000 1.181 454 A CA 1.258 53.331 52.037 0.060 0.000 0.627 454 A CB -0.512 18.518 19.000 0.049 0.000 0.818 454 A HN 0.183 nan 8.150 nan 0.000 0.445 455 L N -1.023 120.284 121.223 0.141 0.000 2.109 455 L HA -0.168 4.173 4.340 0.000 0.000 0.207 455 L C 2.901 180.003 176.870 0.386 0.000 1.086 455 L CA 0.882 55.873 54.840 0.252 0.000 0.760 455 L CB -0.557 41.627 42.059 0.208 0.000 0.910 455 L HN 0.380 nan 8.230 nan 0.000 0.437 456 Q N 0.296 120.271 119.800 0.291 0.000 2.020 456 Q HA -0.244 4.097 4.340 0.000 0.000 0.202 456 Q C 2.024 178.022 176.000 -0.003 0.000 0.982 456 Q CA 1.502 57.423 55.803 0.195 0.000 0.838 456 Q CB -0.315 28.503 28.738 0.132 0.000 0.899 456 Q HN 0.359 nan 8.270 nan 0.000 0.423 457 E N 0.403 120.616 120.200 0.021 0.000 2.455 457 E HA -0.095 4.255 4.350 0.000 0.000 0.202 457 E C 1.452 178.030 176.600 -0.037 0.000 1.045 457 E CA 0.782 57.169 56.400 -0.020 0.000 0.872 457 E CB -0.162 29.539 29.700 0.001 0.000 0.792 457 E HN 0.375 nan 8.360 nan 0.000 0.542 458 A N -0.187 122.626 122.820 -0.011 0.000 2.021 458 A HA 0.025 4.345 4.320 0.000 0.000 0.216 458 A C 0.898 178.397 177.584 -0.142 0.000 1.163 458 A CA 0.006 52.040 52.037 -0.005 0.000 0.676 458 A CB 0.090 19.174 19.000 0.140 0.000 0.818 458 A HN 0.203 nan 8.150 nan 0.000 0.453 459 L N 2.048 123.034 121.223 -0.395 0.000 2.278 459 L HA 0.381 4.721 4.340 0.000 0.000 0.287 459 L C -0.916 175.757 176.870 -0.328 0.000 1.072 459 L CA 0.203 54.690 54.840 -0.588 0.000 0.819 459 L CB 0.824 42.107 42.059 -1.293 0.000 1.176 459 L HN 0.031 nan 8.230 nan 0.000 0.435 460 V N 7.255 127.047 119.914 -0.203 0.000 2.347 460 V HA 0.371 4.491 4.120 0.000 0.000 0.280 460 V C 0.336 176.370 176.094 -0.100 0.000 1.021 460 V CA -0.619 61.609 62.300 -0.120 0.000 0.847 460 V CB 1.522 33.310 31.823 -0.058 0.000 0.990 460 V HN 0.561 nan 8.190 nan 0.000 0.444 461 L N 5.113 126.276 121.223 -0.099 0.000 2.295 461 L HA 0.652 4.992 4.340 0.000 0.000 0.285 461 L C 0.494 177.349 176.870 -0.026 0.000 1.035 461 L CA -0.022 54.777 54.840 -0.069 0.000 0.806 461 L CB 1.896 43.902 42.059 -0.089 0.000 1.214 461 L HN 0.784 nan 8.230 nan 0.000 0.426 462 S N -0.465 115.241 115.700 0.010 0.000 2.664 462 S HA 0.266 4.737 4.470 0.000 0.000 0.304 462 S C 0.194 174.809 174.600 0.025 0.000 1.099 462 S CA -0.802 57.414 58.200 0.025 0.000 1.003 462 S CB 2.142 65.379 63.200 0.061 0.000 1.092 462 S HN 0.701 nan 8.310 nan 0.000 0.525 463 D N 0.320 120.732 120.400 0.019 0.000 2.349 463 D HA -0.009 4.631 4.640 0.000 0.000 0.215 463 D C 0.955 177.273 176.300 0.030 0.000 1.016 463 D CA -0.104 53.906 54.000 0.017 0.000 0.870 463 D CB 0.150 40.955 40.800 0.007 0.000 0.917 463 D HN 0.678 nan 8.370 nan 0.000 0.524 464 R N 0.286 120.816 120.500 0.049 0.000 3.073 464 R HA 0.339 4.679 4.340 0.000 0.000 0.290 464 R C 0.137 176.489 176.300 0.087 0.000 1.130 464 R CA -0.312 55.827 56.100 0.066 0.000 1.186 464 R CB 0.163 30.512 30.300 0.082 0.000 1.166 464 R HN -0.157 nan 8.270 nan 0.000 0.563 465 A N 0.468 123.349 122.820 0.103 0.000 2.282 465 A HA 0.478 4.798 4.320 0.000 0.000 0.319 465 A C -2.216 175.462 177.584 0.157 0.000 1.121 465 A CA -2.091 50.004 52.037 0.096 0.000 0.836 465 A CB 0.341 19.383 19.000 0.070 0.000 1.146 465 A HN 0.581 nan 8.150 nan 0.000 0.494 466 P HA 0.254 nan 4.420 nan 0.000 0.262 466 P C -0.850 176.506 177.300 0.093 0.000 1.182 466 P CA 0.818 63.919 63.100 0.001 0.000 0.761 466 P CB -0.011 31.668 31.700 -0.035 0.000 0.795 467 F N 0.735 120.685 119.950 -0.001 0.000 2.664 467 F HA 0.860 5.388 4.527 0.000 0.000 0.329 467 F C -0.938 174.864 175.800 0.003 0.000 1.090 467 F CA -1.991 56.010 58.000 0.001 0.000 0.978 467 F CB 0.782 39.783 39.000 0.001 0.000 1.378 467 F HN 0.234 nan 8.300 nan 0.000 0.495 468 A N 1.154 124.140 122.820 0.277 0.000 2.274 468 A HA 0.746 5.066 4.320 0.000 0.000 0.309 468 A C -0.083 177.666 177.584 0.275 0.000 1.226 468 A CA -0.389 51.736 52.037 0.147 0.000 0.853 468 A CB -0.066 18.998 19.000 0.108 0.000 1.146 468 A HN 1.428 nan 8.150 nan 0.000 0.518 469 A N 4.601 127.505 122.820 0.140 0.000 2.524 469 A HA 0.502 4.822 4.320 0.000 0.000 0.250 469 A C -1.812 175.861 177.584 0.149 0.000 1.078 469 A CA -0.646 51.503 52.037 0.187 0.000 0.761 469 A CB -0.821 18.225 19.000 0.076 0.000 1.012 469 A HN 0.691 nan 8.150 nan 0.000 0.500 470 P HA 0.203 nan 4.420 nan 0.000 0.271 470 P C -0.227 177.124 177.300 0.085 0.000 1.244 470 P CA -0.187 62.975 63.100 0.103 0.000 0.793 470 P CB 0.433 32.187 31.700 0.089 0.000 0.984 471 S N 1.671 117.422 115.700 0.086 0.000 2.475 471 S HA 0.206 4.676 4.470 0.000 0.000 0.281 471 S C -1.482 173.181 174.600 0.104 0.000 1.198 471 S CA -0.750 57.503 58.200 0.089 0.000 1.063 471 S CB 0.652 63.911 63.200 0.099 0.000 0.972 471 S HN 0.363 nan 8.310 nan 0.000 0.486 472 P HA -0.183 nan 4.420 nan 0.000 0.217 472 P C 0.446 177.793 177.300 0.079 0.000 1.162 472 P CA 0.814 63.936 63.100 0.038 0.000 0.901 472 P CB -0.031 31.682 31.700 0.022 0.000 0.793 473 F N -0.781 119.176 119.950 0.012 0.000 2.623 473 F HA 0.081 4.609 4.527 0.001 0.000 0.386 473 F C 1.214 177.067 175.800 0.089 0.000 1.068 473 F CA 0.122 58.148 58.000 0.044 0.000 1.265 473 F CB 0.481 39.499 39.000 0.030 0.000 1.026 473 F HN -0.054 nan 8.300 nan 0.000 0.568 474 A N 4.418 126.897 122.820 -0.569 0.000 2.011 474 A HA 0.293 4.613 4.320 0.000 0.000 0.204 474 A C 0.160 177.415 177.584 -0.547 0.000 1.520 474 A CA 0.678 52.542 52.037 -0.288 0.000 0.819 474 A CB -0.131 18.907 19.000 0.063 0.000 1.087 474 A HN 0.801 nan 8.150 nan 0.000 0.526 475 E N -1.815 117.861 120.200 -0.873 0.000 2.447 475 E HA 0.577 4.928 4.350 0.000 0.000 0.279 475 E C -2.020 174.373 176.600 -0.344 0.000 1.053 475 E CA -0.826 55.294 56.400 -0.467 0.000 0.840 475 E CB 0.879 30.481 29.700 -0.165 0.000 1.409 475 E HN 0.268 nan 8.360 nan 0.000 0.461 476 L N 1.555 122.810 121.223 0.054 0.000 2.376 476 L HA 0.481 4.821 4.340 0.000 0.000 0.275 476 L C -1.599 175.322 176.870 0.085 0.000 0.987 476 L CA -0.706 54.223 54.840 0.149 0.000 0.828 476 L CB 1.855 44.087 42.059 0.289 0.000 1.249 476 L HN 0.548 nan 8.230 nan 0.000 0.409 477 V N 6.102 126.061 119.914 0.076 0.000 2.509 477 V HA 0.465 4.585 4.120 0.000 0.000 0.284 477 V C 0.255 176.408 176.094 0.098 0.000 1.047 477 V CA -0.431 61.908 62.300 0.066 0.000 0.952 477 V CB 1.394 33.248 31.823 0.052 0.000 0.988 477 V HN 0.641 nan 8.190 nan 0.000 0.469 478 L N 6.309 127.590 121.223 0.096 0.000 2.313 478 L HA 0.510 4.850 4.340 0.000 0.000 0.268 478 L C -1.183 175.754 176.870 0.111 0.000 1.010 478 L CA -1.655 53.265 54.840 0.134 0.000 0.814 478 L CB 2.021 44.174 42.059 0.157 0.000 1.304 478 L HN 0.396 nan 8.230 nan 0.000 0.441 479 P HA 0.008 nan 4.420 nan 0.000 0.221 479 P C -1.605 175.738 177.300 0.072 0.000 1.150 479 P CA 0.765 63.917 63.100 0.087 0.000 0.800 479 P CB -1.020 30.729 31.700 0.081 0.000 0.787 480 P HA 0.264 nan 4.420 nan 0.000 0.232 480 P C -0.572 176.760 177.300 0.052 0.000 1.738 480 P CA 0.813 63.952 63.100 0.065 0.000 0.948 480 P CB -0.528 31.219 31.700 0.079 0.000 1.943 481 Q N 0.000 119.827 119.800 0.045 0.000 2.315 481 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 481 Q CA 0.000 nan 55.803 nan 0.000 1.022 481 Q CB 0.000 nan 28.738 nan 0.000 1.108 481 Q HN 0.000 nan 8.270 nan 0.000 0.481