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 1a6d_1_B DATA FIRST_RESID 20 DATA SEQUENCE KDAMKENIEA AIAISNSVRS SLGPRGMDKM LVDSLGDIVI TNDGVTILKE DATA SEQUENCE MDVEHPAAKM MVEVSKTQDS FVGDGTTTAV IIAGGLLQQA QGLINQNVHP DATA SEQUENCE TVISEGYRMA SEEAKRVIDE ISTKIGADEK ALLLKMAQTS LNSKSASVAK DATA SEQUENCE DKLAEISYEA VKSVAELRDG KYYVDFDNIQ VVKKQGGAID DTQLINGIIV DATA SEQUENCE DKEKVHPGMP DVVKDAKIAL LDAPLEIKKP EFDTNLRIED PSMIQKFLAQ DATA SEQUENCE EENMLREMVD KIKSVGANVV ITQKGIDDMA QHYLSRAGIY AVRRVKKSDM DATA SEQUENCE DKLAKATGAS IVSTIDEISS SDLGTAERVE QVKVGEDYMT FVTGCKNPKA DATA SEQUENCE VSILVRGETE HVVDEMERSI TDSLHVVASA LEDGAYAAGG GATAAEIAFR DATA SEQUENCE LRSYAQKIGG RQQLAIEKFA DAIEEIPRAL AENAGLDPID ILLKLRAEHA DATA SEQUENCE KGNKTYGINV FTGEIEDMVK NGVIEPIRVG KQAIESATEA AIMILRIDDV DATA SEQUENCE IA 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 20 K HA 0.000 nan 4.320 nan 0.000 0.191 20 K C 0.000 176.598 176.600 -0.003 0.000 0.988 20 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 20 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 21 D N 0.594 120.996 120.400 0.003 0.000 2.162 21 D HA -0.045 nan 4.640 nan 0.000 0.205 21 D C 1.501 177.811 176.300 0.017 0.000 0.964 21 D CA 2.998 57.004 54.000 0.009 0.000 0.847 21 D CB -0.167 40.640 40.800 0.011 0.000 0.988 21 D HN 0.385 8.757 8.370 0.003 0.000 0.480 22 A N -0.383 122.448 122.820 0.018 0.000 1.986 22 A HA -0.309 nan 4.320 nan 0.000 0.220 22 A C 1.935 179.538 177.584 0.031 0.000 1.171 22 A CA 3.089 55.145 52.037 0.031 0.000 0.640 22 A CB -0.821 18.193 19.000 0.023 0.000 0.811 22 A HN 0.458 8.616 8.150 0.013 0.000 0.451 23 M N -1.890 117.717 119.600 0.011 0.000 2.098 23 M HA -0.279 nan 4.480 nan 0.000 0.262 23 M C 1.796 178.094 176.300 -0.003 0.000 1.072 23 M CA 3.509 58.809 55.300 0.000 0.000 1.133 23 M CB -0.170 32.420 32.600 -0.015 0.000 1.344 23 M HN -0.571 7.701 8.290 0.006 0.021 0.414 24 K N -0.849 119.550 120.400 -0.002 0.000 2.089 24 K HA -0.429 nan 4.320 nan 0.000 0.210 24 K C 2.542 179.137 176.600 -0.009 0.000 1.048 24 K CA 3.322 59.605 56.287 -0.006 0.000 0.926 24 K CB -0.563 31.937 32.500 -0.001 0.000 0.714 24 K HN -0.500 7.750 8.250 -0.001 0.000 0.448 25 E N -1.326 118.879 120.200 0.008 0.000 2.046 25 E HA -0.285 nan 4.350 nan 0.000 0.190 25 E C 2.025 178.588 176.600 -0.062 0.000 0.982 25 E CA 3.193 59.601 56.400 0.013 0.000 0.800 25 E CB -0.078 29.679 29.700 0.095 0.000 0.756 25 E HN 0.149 8.516 8.360 0.020 0.004 0.449 26 N N 0.415 119.106 118.700 -0.016 0.000 2.069 26 N HA -0.324 nan 4.740 nan 0.000 0.191 26 N C 2.564 178.009 175.510 -0.108 0.000 1.031 26 N CA 3.093 56.108 53.050 -0.057 0.000 0.852 26 N CB 0.097 38.596 38.487 0.021 0.000 1.018 26 N HN -0.264 8.135 8.380 0.031 0.000 0.423 27 I N 0.244 120.777 120.570 -0.061 0.000 2.226 27 I HA -0.563 nan 4.170 nan 0.000 0.245 27 I C 1.463 177.536 176.117 -0.073 0.000 1.100 27 I CA 4.607 65.877 61.300 -0.051 0.000 1.374 27 I CB -0.123 37.862 38.000 -0.025 0.000 1.057 27 I HN 0.351 8.539 8.210 -0.037 0.000 0.413 28 E N -0.917 119.232 120.200 -0.084 0.000 2.106 28 E HA -0.384 nan 4.350 nan 0.000 0.192 28 E C 2.434 178.956 176.600 -0.130 0.000 0.984 28 E CA 3.181 59.530 56.400 -0.085 0.000 0.806 28 E CB -0.352 29.311 29.700 -0.063 0.000 0.750 28 E HN -0.524 7.792 8.360 -0.073 0.000 0.458 29 A N -0.792 121.883 122.820 -0.241 0.000 1.877 29 A HA -0.267 nan 4.320 nan 0.000 0.216 29 A C 1.879 179.357 177.584 -0.176 0.000 1.186 29 A CA 2.998 54.843 52.037 -0.320 0.000 0.620 29 A CB -0.856 17.663 19.000 -0.803 0.000 0.822 29 A HN -0.033 7.950 8.150 -0.279 0.000 0.443 30 A N -1.040 121.693 122.820 -0.145 0.000 1.845 30 A HA -0.317 nan 4.320 nan 0.000 0.215 30 A C 2.034 179.582 177.584 -0.061 0.000 1.195 30 A CA 2.922 54.912 52.037 -0.079 0.000 0.616 30 A CB -0.657 18.309 19.000 -0.056 0.000 0.832 30 A HN -0.391 7.657 8.150 -0.170 0.000 0.443 31 I N -1.787 118.748 120.570 -0.059 0.000 2.315 31 I HA -0.591 nan 4.170 nan 0.000 0.251 31 I C 1.685 177.775 176.117 -0.045 0.000 1.125 31 I CA 3.732 65.004 61.300 -0.047 0.000 1.392 31 I CB -0.321 37.654 38.000 -0.042 0.000 1.065 31 I HN 0.024 8.195 8.210 -0.065 0.000 0.424 32 A N -0.318 122.470 122.820 -0.052 0.000 1.883 32 A HA -0.302 nan 4.320 nan 0.000 0.217 32 A C 1.965 179.527 177.584 -0.036 0.000 1.186 32 A CA 3.475 55.486 52.037 -0.043 0.000 0.624 32 A CB -0.986 17.985 19.000 -0.048 0.000 0.822 32 A HN -0.216 7.882 8.150 -0.066 0.012 0.444 33 I N -2.081 118.466 120.570 -0.039 0.000 2.226 33 I HA -0.439 nan 4.170 nan 0.000 0.245 33 I C 2.147 178.245 176.117 -0.032 0.000 1.100 33 I CA 1.789 63.070 61.300 -0.031 0.000 1.374 33 I CB -1.368 36.614 38.000 -0.029 0.000 1.057 33 I HN -0.555 7.545 8.210 -0.047 0.081 0.413 34 S N -0.225 115.454 115.700 -0.035 0.000 2.383 34 S HA -0.369 nan 4.470 nan 0.000 0.229 34 S C 2.385 176.965 174.600 -0.034 0.000 1.030 34 S CA 4.045 62.223 58.200 -0.036 0.000 1.002 34 S CB -0.361 62.814 63.200 -0.041 0.000 0.829 34 S HN -0.282 7.941 8.310 -0.038 0.065 0.467 35 N N -0.007 118.674 118.700 -0.032 0.000 2.416 35 N HA -0.062 nan 4.740 nan 0.000 0.177 35 N C 1.442 176.937 175.510 -0.025 0.000 1.036 35 N CA 2.229 55.262 53.050 -0.028 0.000 0.901 35 N CB 0.322 38.793 38.487 -0.027 0.000 0.976 35 N HN -0.291 7.969 8.380 -0.033 0.100 0.444 36 S N -0.974 114.711 115.700 -0.025 0.000 2.561 36 S HA -0.135 nan 4.470 nan 0.000 0.225 36 S C 0.322 174.908 174.600 -0.023 0.000 0.977 36 S CA 2.511 60.698 58.200 -0.022 0.000 0.926 36 S CB 0.211 63.399 63.200 -0.021 0.000 0.769 36 S HN -0.401 7.790 8.310 -0.026 0.103 0.533 37 V N 0.376 120.274 119.914 -0.026 0.000 3.572 37 V HA 0.142 nan 4.120 nan 0.000 0.260 37 V C 1.294 177.372 176.094 -0.026 0.000 1.324 37 V CA 0.765 63.048 62.300 -0.027 0.000 1.068 37 V CB 0.465 32.270 31.823 -0.030 0.000 0.837 37 V HN -0.766 7.337 8.190 -0.027 0.072 0.450 38 R N 1.773 122.257 120.500 -0.027 0.000 2.113 38 R HA -0.402 nan 4.340 nan 0.000 0.244 38 R C 1.703 177.988 176.300 -0.025 0.000 1.142 38 R CA 4.011 60.094 56.100 -0.028 0.000 0.953 38 R CB -0.225 30.058 30.300 -0.029 0.000 0.860 38 R HN -0.420 7.733 8.270 -0.028 0.100 0.438 39 S N -3.315 112.372 115.700 -0.022 0.000 2.603 39 S HA -0.150 nan 4.470 nan 0.000 0.229 39 S C 1.030 175.620 174.600 -0.016 0.000 0.972 39 S CA 2.124 60.313 58.200 -0.019 0.000 0.935 39 S CB -0.734 62.457 63.200 -0.016 0.000 0.769 39 S HN 0.096 8.393 8.310 -0.021 0.000 0.536 40 S N 0.356 116.046 115.700 -0.017 0.000 2.540 40 S HA 0.162 nan 4.470 nan 0.000 0.218 40 S C -0.658 173.934 174.600 -0.014 0.000 0.977 40 S CA -0.495 57.696 58.200 -0.014 0.000 0.918 40 S CB 0.622 63.812 63.200 -0.015 0.000 0.806 40 S HN -0.076 8.056 8.310 -0.020 0.166 0.496 41 L N 2.341 123.553 121.223 -0.019 0.000 2.361 41 L HA -0.074 nan 4.340 nan 0.000 0.278 41 L C -0.352 176.504 176.870 -0.022 0.000 1.113 41 L CA 0.789 55.617 54.840 -0.020 0.000 0.849 41 L CB 0.224 42.268 42.059 -0.025 0.000 1.155 41 L HN -0.875 7.291 8.230 -0.021 0.052 0.452 42 G N 5.821 114.612 108.800 -0.016 0.000 2.631 42 G HA2 -0.233 nan 3.960 nan 0.000 0.504 42 G HA3 -0.233 nan 3.960 nan 0.000 0.504 42 G C -2.126 172.769 174.900 -0.009 0.000 1.306 42 G CA -0.557 44.529 45.100 -0.023 0.000 0.897 42 G HN -0.580 7.705 8.290 -0.009 0.000 0.520 43 P HA -0.083 nan 4.420 nan 0.000 0.222 43 P C -0.535 176.798 177.300 0.056 0.000 1.147 43 P CA 1.524 64.650 63.100 0.044 0.000 0.790 43 P CB 0.157 31.847 31.700 -0.015 0.000 0.780 44 R N -3.890 116.609 120.500 -0.002 0.000 2.586 44 R HA 0.253 nan 4.340 nan 0.000 0.336 44 R C 0.156 176.458 176.300 0.003 0.000 1.060 44 R CA -0.921 55.185 56.100 0.011 0.000 1.079 44 R CB 0.111 30.401 30.300 -0.016 0.000 1.317 44 R HN 0.023 8.222 8.270 -0.038 0.048 0.568 45 G N -0.753 108.050 108.800 0.003 0.000 2.476 45 G HA2 0.015 nan 3.960 nan 0.000 0.269 45 G HA3 0.015 nan 3.960 nan 0.000 0.269 45 G C -0.912 173.991 174.900 0.005 0.000 1.195 45 G CA -0.467 44.632 45.100 -0.001 0.000 0.843 45 G HN -0.290 7.849 8.290 0.010 0.157 0.545 46 M N 1.224 120.824 119.600 -0.001 0.000 2.649 46 M HA 0.297 nan 4.480 nan 0.000 0.294 46 M C -0.800 175.499 176.300 -0.001 0.000 1.206 46 M CA -1.710 53.590 55.300 0.001 0.000 0.928 46 M CB 1.895 34.494 32.600 -0.002 0.000 1.571 46 M HN 0.581 8.761 8.290 -0.005 0.108 0.501 47 D N -0.974 119.425 120.400 -0.000 0.000 2.442 47 D HA 0.467 nan 4.640 nan 0.000 0.254 47 D C -0.913 175.384 176.300 -0.005 0.000 1.069 47 D CA -1.129 52.870 54.000 -0.002 0.000 1.017 47 D CB 1.314 42.116 40.800 0.003 0.000 1.172 47 D HN -0.003 8.368 8.370 0.001 0.000 0.561 48 K N -0.824 119.573 120.400 -0.006 0.000 2.316 48 K HA 0.495 nan 4.320 nan 0.000 0.251 48 K C -1.447 175.149 176.600 -0.005 0.000 0.934 48 K CA -2.185 54.097 56.287 -0.008 0.000 0.802 48 K CB 2.941 35.433 32.500 -0.012 0.000 1.171 48 K HN 0.731 8.872 8.250 -0.005 0.105 0.426 49 M N 2.805 122.399 119.600 -0.009 0.000 2.149 49 M HA 0.440 nan 4.480 nan 0.000 0.342 49 M C -1.251 175.042 176.300 -0.011 0.000 1.068 49 M CA -0.459 54.834 55.300 -0.011 0.000 0.991 49 M CB 1.134 33.721 32.600 -0.021 0.000 1.596 49 M HN 0.286 8.569 8.290 -0.011 0.000 0.439 50 L N 7.887 129.107 121.223 -0.005 0.000 2.316 50 L HA 0.402 nan 4.340 nan 0.000 0.280 50 L C -1.576 175.292 176.870 -0.003 0.000 1.006 50 L CA -0.742 54.095 54.840 -0.005 0.000 0.836 50 L CB 0.941 42.998 42.059 -0.004 0.000 1.221 50 L HN 1.038 9.156 8.230 0.002 0.114 0.418 51 V N 3.031 122.940 119.914 -0.008 0.000 2.370 51 V HA 0.367 nan 4.120 nan 0.000 0.279 51 V C -0.183 175.909 176.094 -0.003 0.000 1.029 51 V CA -1.874 60.421 62.300 -0.008 0.000 0.870 51 V CB 0.012 31.826 31.823 -0.015 0.000 0.984 51 V HN 0.245 8.429 8.190 -0.010 0.000 0.451 52 D N 7.058 127.459 120.400 0.002 0.000 2.478 52 D HA 0.290 nan 4.640 nan 0.000 0.269 52 D C 1.192 177.492 176.300 0.001 0.000 1.232 52 D CA -1.244 52.757 54.000 0.002 0.000 1.059 52 D CB 1.147 41.950 40.800 0.004 0.000 1.104 52 D HN 0.424 8.797 8.370 0.006 0.000 0.566 53 S N -1.219 114.481 115.700 0.001 0.000 2.383 53 S HA -0.264 nan 4.470 nan 0.000 0.227 53 S C 0.228 174.829 174.600 0.001 0.000 1.026 53 S CA 3.025 61.225 58.200 0.000 0.000 0.981 53 S CB -0.298 62.903 63.200 0.000 0.000 0.818 53 S HN 0.403 8.714 8.310 0.001 0.000 0.472 54 L N -0.562 120.664 121.223 0.003 0.000 2.610 54 L HA 0.088 nan 4.340 nan 0.000 0.232 54 L C 0.417 177.291 176.870 0.006 0.000 1.149 54 L CA -0.195 54.648 54.840 0.005 0.000 0.872 54 L CB -0.828 41.235 42.059 0.007 0.000 0.992 54 L HN -0.528 7.770 8.230 0.004 -0.066 0.447 55 G N -2.968 105.835 108.800 0.005 0.000 2.176 55 G HA2 -0.431 nan 3.960 nan 0.000 0.253 55 G HA3 -0.431 nan 3.960 nan 0.000 0.253 55 G C -0.226 174.679 174.900 0.009 0.000 0.979 55 G CA -0.267 44.835 45.100 0.003 0.000 0.641 55 G HN -0.378 7.730 8.290 0.003 0.183 0.530 56 D N 0.666 121.077 120.400 0.019 0.000 2.455 56 D HA -0.129 nan 4.640 nan 0.000 0.241 56 D C -1.420 174.904 176.300 0.040 0.000 1.138 56 D CA 2.176 56.200 54.000 0.039 0.000 0.877 56 D CB 0.755 41.578 40.800 0.038 0.000 1.187 56 D HN -0.252 8.313 8.370 0.016 -0.186 0.451 57 I N 0.737 121.352 120.570 0.075 0.000 2.474 57 I HA 0.647 nan 4.170 nan 0.000 0.294 57 I C -1.893 174.324 176.117 0.165 0.000 1.005 57 I CA -0.819 60.508 61.300 0.044 0.000 1.113 57 I CB 3.357 41.290 38.000 -0.111 0.000 1.289 57 I HN -0.051 8.236 8.210 0.129 0.000 0.436 58 V N 7.667 127.639 119.914 0.096 0.000 2.524 58 V HA 0.543 nan 4.120 nan 0.000 0.297 58 V C -2.447 173.689 176.094 0.070 0.000 1.035 58 V CA -1.212 61.157 62.300 0.116 0.000 0.867 58 V CB 3.231 35.086 31.823 0.055 0.000 1.004 58 V HN 0.328 8.544 8.190 0.043 0.000 0.426 59 I N 9.513 130.142 120.570 0.098 0.000 2.355 59 I HA 0.707 nan 4.170 nan 0.000 0.288 59 I C -1.662 174.479 176.117 0.040 0.000 0.999 59 I CA -1.045 60.284 61.300 0.049 0.000 1.163 59 I CB 1.264 39.291 38.000 0.046 0.000 1.316 59 I HN 0.166 8.481 8.210 0.175 0.000 0.454 60 T N 7.783 122.347 114.554 0.016 0.000 2.762 60 T HA 0.421 nan 4.350 nan 0.000 0.301 60 T C -1.939 172.758 174.700 -0.004 0.000 1.299 60 T CA -0.701 61.402 62.100 0.005 0.000 1.005 60 T CB 3.158 72.023 68.868 -0.006 0.000 1.377 60 T HN 0.662 8.907 8.240 0.009 0.000 0.504 61 N N 1.054 119.750 118.700 -0.007 0.000 2.227 61 N HA 0.252 nan 4.740 nan 0.000 0.196 61 N C -1.145 174.353 175.510 -0.020 0.000 1.142 61 N CA 0.143 53.187 53.050 -0.010 0.000 0.887 61 N CB 2.320 40.806 38.487 -0.001 0.000 1.022 61 N HN -0.064 8.540 8.380 -0.006 -0.228 0.500 62 D N 1.644 122.027 120.400 -0.029 0.000 2.363 62 D HA -0.057 nan 4.640 nan 0.000 0.263 62 D C 0.903 177.163 176.300 -0.067 0.000 1.258 62 D CA 0.506 54.477 54.000 -0.048 0.000 0.907 62 D CB 0.508 41.273 40.800 -0.059 0.000 1.107 62 D HN -0.504 7.807 8.370 -0.024 0.044 0.495 63 G N 4.315 113.075 108.800 -0.066 0.000 2.470 63 G HA2 -0.303 nan 3.960 nan 0.000 0.220 63 G HA3 -0.303 nan 3.960 nan 0.000 0.220 63 G C 0.521 175.350 174.900 -0.119 0.000 1.121 63 G CA 2.090 47.146 45.100 -0.074 0.000 0.766 63 G HN 0.213 8.472 8.290 -0.052 0.000 0.553 64 V N 0.754 120.558 119.914 -0.183 0.000 2.488 64 V HA -0.243 nan 4.120 nan 0.000 0.246 64 V C 1.811 177.767 176.094 -0.231 0.000 1.046 64 V CA 3.679 65.796 62.300 -0.306 0.000 1.053 64 V CB -0.367 31.119 31.823 -0.562 0.000 0.679 64 V HN -0.100 7.949 8.190 -0.167 0.040 0.458 65 T N 3.063 117.515 114.554 -0.169 0.000 2.812 65 T HA -0.270 nan 4.350 nan 0.000 0.264 65 T C 1.850 176.501 174.700 -0.083 0.000 1.042 65 T CA 4.571 66.601 62.100 -0.116 0.000 1.140 65 T CB -0.508 68.310 68.868 -0.084 0.000 0.870 65 T HN -0.598 7.748 8.240 -0.158 -0.200 0.445 66 I N 1.123 121.649 120.570 -0.073 0.000 2.127 66 I HA -0.536 nan 4.170 nan 0.000 0.241 66 I C 1.303 177.388 176.117 -0.054 0.000 1.075 66 I CA 4.386 65.655 61.300 -0.052 0.000 1.334 66 I CB -0.342 37.631 38.000 -0.046 0.000 1.040 66 I HN 0.129 8.292 8.210 -0.079 0.000 0.405 67 L N -1.470 119.712 121.223 -0.069 0.000 2.017 67 L HA -0.390 nan 4.340 nan 0.000 0.208 67 L C 1.228 178.062 176.870 -0.059 0.000 1.073 67 L CA 2.549 57.352 54.840 -0.062 0.000 0.745 67 L CB -0.840 41.175 42.059 -0.073 0.000 0.894 67 L HN -0.677 7.503 8.230 -0.084 0.000 0.432 68 K N -3.228 117.124 120.400 -0.080 0.000 2.280 68 K HA -0.271 nan 4.320 nan 0.000 0.202 68 K C 1.957 178.531 176.600 -0.045 0.000 1.047 68 K CA 2.098 58.345 56.287 -0.067 0.000 0.942 68 K CB -0.070 32.375 32.500 -0.091 0.000 0.739 68 K HN -0.510 7.676 8.250 -0.108 0.000 0.457 69 E N -1.414 118.760 120.200 -0.043 0.000 2.045 69 E HA -0.048 nan 4.350 nan 0.000 0.190 69 E C 0.631 177.219 176.600 -0.020 0.000 0.968 69 E CA 0.626 57.010 56.400 -0.028 0.000 0.813 69 E CB 0.628 30.313 29.700 -0.025 0.000 0.780 69 E HN -0.523 7.661 8.360 -0.052 0.145 0.455 70 M N 0.160 119.747 119.600 -0.021 0.000 2.248 70 M HA -0.138 nan 4.480 nan 0.000 0.343 70 M C -0.149 176.145 176.300 -0.009 0.000 1.243 70 M CA 0.697 55.988 55.300 -0.014 0.000 1.025 70 M CB 0.228 32.819 32.600 -0.015 0.000 1.759 70 M HN -0.098 8.176 8.290 -0.027 0.000 0.452 71 D N 3.805 124.203 120.400 -0.004 0.000 2.402 71 D HA 0.053 nan 4.640 nan 0.000 0.235 71 D C -0.252 176.052 176.300 0.007 0.000 1.226 71 D CA -0.371 53.629 54.000 0.001 0.000 0.918 71 D CB -0.141 40.659 40.800 0.001 0.000 1.043 71 D HN 0.108 8.475 8.370 -0.004 0.000 0.506 72 V N 0.287 120.208 119.914 0.010 0.000 2.439 72 V HA 0.368 nan 4.120 nan 0.000 0.282 72 V C -0.758 175.355 176.094 0.032 0.000 1.039 72 V CA -0.878 61.436 62.300 0.023 0.000 0.913 72 V CB 1.145 32.981 31.823 0.022 0.000 0.983 72 V HN -0.066 8.128 8.190 0.007 0.000 0.460 73 E N 4.872 125.102 120.200 0.049 0.000 2.175 73 E HA -0.159 nan 4.350 nan 0.000 0.195 73 E C -1.035 175.598 176.600 0.055 0.000 0.934 73 E CA 0.236 56.660 56.400 0.039 0.000 0.870 73 E CB 0.823 30.539 29.700 0.026 0.000 0.838 73 E HN 0.338 8.734 8.360 0.060 0.000 0.474 74 H N 1.874 120.942 119.070 -0.003 0.000 3.034 74 H HA 0.033 nan 4.556 nan 0.000 0.324 74 H C 0.085 175.412 175.328 -0.001 0.000 1.015 74 H CA -0.664 55.383 56.048 -0.002 0.000 1.429 74 H CB 0.664 30.425 29.762 -0.002 0.000 1.429 74 H HN -0.127 8.267 8.280 0.189 0.000 0.585 75 P HA -0.213 nan 4.420 nan 0.000 0.218 75 P C 0.298 177.689 177.300 0.152 0.000 1.148 75 P CA 2.286 65.447 63.100 0.101 0.000 0.822 75 P CB 0.179 31.897 31.700 0.030 0.000 0.784 76 A N -2.000 120.989 122.820 0.282 0.000 1.873 76 A HA -0.256 nan 4.320 nan 0.000 0.215 76 A C 1.684 179.299 177.584 0.051 0.000 1.186 76 A CA 3.078 55.188 52.037 0.121 0.000 0.616 76 A CB -0.990 18.029 19.000 0.031 0.000 0.823 76 A HN -0.517 7.976 8.150 0.605 0.020 0.442 77 A N -2.034 120.817 122.820 0.051 0.000 1.902 77 A HA -0.337 nan 4.320 nan 0.000 0.217 77 A C 2.084 179.687 177.584 0.031 0.000 1.181 77 A CA 3.203 55.251 52.037 0.019 0.000 0.623 77 A CB -0.906 18.109 19.000 0.026 0.000 0.818 77 A HN 0.063 8.280 8.150 0.111 0.000 0.443 78 K N -1.894 118.536 120.400 0.051 0.000 2.103 78 K HA -0.364 nan 4.320 nan 0.000 0.207 78 K C 2.619 179.235 176.600 0.028 0.000 1.048 78 K CA 3.348 59.655 56.287 0.034 0.000 0.930 78 K CB -0.294 32.227 32.500 0.035 0.000 0.716 78 K HN -0.200 8.097 8.250 0.078 0.000 0.444 79 M N -1.493 118.127 119.600 0.034 0.000 2.156 79 M HA -0.147 nan 4.480 nan 0.000 0.264 79 M C 2.284 178.598 176.300 0.023 0.000 1.067 79 M CA 1.123 56.441 55.300 0.030 0.000 1.131 79 M CB -1.026 31.594 32.600 0.034 0.000 1.368 79 M HN -0.337 7.977 8.290 0.046 0.003 0.416 80 M N 0.978 120.588 119.600 0.017 0.000 2.082 80 M HA -0.373 nan 4.480 nan 0.000 0.258 80 M C 2.014 178.318 176.300 0.007 0.000 1.069 80 M CA 3.528 58.833 55.300 0.008 0.000 1.102 80 M CB -0.514 32.083 32.600 -0.005 0.000 1.336 80 M HN 0.110 8.411 8.290 0.019 0.000 0.404 81 V N -0.952 118.965 119.914 0.005 0.000 2.261 81 V HA -0.556 nan 4.120 nan 0.000 0.246 81 V C 1.956 178.055 176.094 0.008 0.000 1.047 81 V CA 4.637 66.936 62.300 -0.001 0.000 1.015 81 V CB -1.045 30.775 31.823 -0.005 0.000 0.642 81 V HN 0.076 8.270 8.190 0.006 0.000 0.446 82 E N -0.875 119.335 120.200 0.017 0.000 2.038 82 E HA -0.387 nan 4.350 nan 0.000 0.195 82 E C 1.861 178.485 176.600 0.040 0.000 1.000 82 E CA 3.626 60.043 56.400 0.028 0.000 0.803 82 E CB 0.281 29.998 29.700 0.028 0.000 0.750 82 E HN -0.430 7.940 8.360 0.017 0.000 0.448 83 V N -1.726 118.210 119.914 0.036 0.000 2.307 83 V HA -0.265 nan 4.120 nan 0.000 0.245 83 V C 2.333 178.454 176.094 0.045 0.000 1.045 83 V CA 3.622 65.947 62.300 0.041 0.000 1.024 83 V CB -0.252 31.593 31.823 0.037 0.000 0.651 83 V HN 0.093 8.301 8.190 0.030 0.000 0.449 84 S N -1.216 114.505 115.700 0.034 0.000 2.474 84 S HA -0.265 nan 4.470 nan 0.000 0.235 84 S C 1.200 175.829 174.600 0.048 0.000 0.997 84 S CA 2.932 61.150 58.200 0.030 0.000 0.949 84 S CB -0.377 62.828 63.200 0.010 0.000 0.766 84 S HN 0.048 8.373 8.310 0.026 0.000 0.517 85 K N 0.230 120.667 120.400 0.061 0.000 2.589 85 K HA -0.213 nan 4.320 nan 0.000 0.195 85 K C 0.179 176.930 176.600 0.252 0.000 1.042 85 K CA 1.491 57.838 56.287 0.099 0.000 0.940 85 K CB -0.088 32.471 32.500 0.097 0.000 0.776 85 K HN -0.713 7.419 8.250 0.050 0.148 0.487 86 T N -1.306 113.354 114.554 0.178 0.000 4.700 86 T HA -0.353 nan 4.350 nan 0.000 0.326 86 T C 1.118 175.916 174.700 0.163 0.000 0.923 86 T CA 1.595 63.795 62.100 0.167 0.000 2.025 86 T CB -1.850 67.117 68.868 0.165 0.000 2.058 86 T HN 0.026 8.244 8.240 0.113 0.090 0.896 87 Q N 0.096 120.037 119.800 0.235 0.000 2.250 87 Q HA -0.515 nan 4.340 nan 0.000 0.218 87 Q C 1.012 176.777 176.000 -0.392 0.000 1.021 87 Q CA 3.067 58.904 55.803 0.057 0.000 0.933 87 Q CB -0.934 27.869 28.738 0.109 0.000 0.993 87 Q HN 0.490 8.834 8.270 0.244 0.073 0.415 88 D N -2.763 117.509 120.400 -0.213 0.000 2.203 88 D HA -0.124 nan 4.640 nan 0.000 0.199 88 D C -0.318 175.777 176.300 -0.341 0.000 0.997 88 D CA 2.144 56.016 54.000 -0.214 0.000 0.863 88 D CB 0.618 41.358 40.800 -0.100 0.000 0.928 88 D HN 0.156 8.427 8.370 -0.096 0.042 0.458 89 S N -2.783 112.625 115.700 -0.487 0.000 2.565 89 S HA 0.124 nan 4.470 nan 0.000 0.274 89 S C -1.163 173.131 174.600 -0.510 0.000 1.144 89 S CA 0.348 58.254 58.200 -0.489 0.000 0.849 89 S CB 2.290 65.382 63.200 -0.179 0.000 1.103 89 S HN -0.135 7.886 8.310 -0.442 0.024 0.455 90 F N 2.986 122.871 119.950 -0.109 0.000 2.530 90 F HA 0.207 nan 4.527 nan 0.000 0.318 90 F C -0.603 175.121 175.800 -0.127 0.000 1.356 90 F CA -1.139 56.784 58.000 -0.128 0.000 1.135 90 F CB 0.109 39.005 39.000 -0.173 0.000 1.315 90 F HN 0.246 8.328 8.300 -0.364 0.000 0.549 91 V N 1.542 121.511 119.914 0.093 0.000 2.407 91 V HA 0.194 nan 4.120 nan 0.000 0.278 91 V C 0.577 176.724 176.094 0.088 0.000 1.037 91 V CA -0.981 61.376 62.300 0.096 0.000 0.900 91 V CB -0.412 31.462 31.823 0.086 0.000 0.983 91 V HN -0.189 8.053 8.190 0.086 0.000 0.459 92 G N 7.276 116.125 108.800 0.083 0.000 2.581 92 G HA2 -0.407 nan 3.960 nan 0.000 0.291 92 G HA3 -0.407 nan 3.960 nan 0.000 0.291 92 G C -1.075 173.855 174.900 0.049 0.000 1.277 92 G CA 1.214 46.352 45.100 0.062 0.000 0.959 92 G HN 0.218 8.565 8.290 0.096 0.000 0.554 93 D N 1.281 121.704 120.400 0.038 0.000 3.072 93 D HA 0.039 nan 4.640 nan 0.000 0.250 93 D C 0.511 176.829 176.300 0.030 0.000 1.304 93 D CA -1.382 52.633 54.000 0.025 0.000 0.861 93 D CB -1.869 38.938 40.800 0.012 0.000 1.062 93 D HN -0.093 8.300 8.370 0.039 0.000 0.481 94 G N 0.045 108.876 108.800 0.053 0.000 2.418 94 G HA2 -0.347 nan 3.960 nan 0.000 0.217 94 G HA3 -0.347 nan 3.960 nan 0.000 0.217 94 G C 0.479 175.410 174.900 0.052 0.000 1.158 94 G CA 2.241 47.376 45.100 0.058 0.000 0.771 94 G HN -0.435 7.819 8.290 0.066 0.076 0.545 95 T N 2.574 117.163 114.554 0.058 0.000 2.777 95 T HA -0.188 nan 4.350 nan 0.000 0.266 95 T C 2.036 176.735 174.700 -0.002 0.000 1.040 95 T CA 4.872 66.990 62.100 0.031 0.000 1.141 95 T CB -0.651 68.213 68.868 -0.006 0.000 0.868 95 T HN 0.421 8.704 8.240 0.072 0.000 0.444 96 T N 3.695 118.243 114.554 -0.011 0.000 2.777 96 T HA -0.231 nan 4.350 nan 0.000 0.266 96 T C 2.001 176.690 174.700 -0.019 0.000 1.040 96 T CA 5.038 67.126 62.100 -0.020 0.000 1.141 96 T CB -0.563 68.293 68.868 -0.020 0.000 0.868 96 T HN 0.052 8.288 8.240 -0.007 0.000 0.444 97 T N 4.221 118.769 114.554 -0.011 0.000 2.708 97 T HA -0.273 nan 4.350 nan 0.000 0.266 97 T C 1.184 175.869 174.700 -0.025 0.000 1.037 97 T CA 4.994 67.084 62.100 -0.017 0.000 1.146 97 T CB -0.533 68.332 68.868 -0.005 0.000 0.865 97 T HN -0.248 7.991 8.240 -0.002 0.000 0.435 98 A N 0.968 123.782 122.820 -0.010 0.000 1.873 98 A HA -0.284 nan 4.320 nan 0.000 0.218 98 A C 1.712 179.278 177.584 -0.030 0.000 1.193 98 A CA 3.412 55.441 52.037 -0.013 0.000 0.629 98 A CB -0.912 18.096 19.000 0.013 0.000 0.826 98 A HN 0.192 8.234 8.150 0.004 0.110 0.447 99 V N -0.620 119.279 119.914 -0.024 0.000 2.332 99 V HA -0.485 nan 4.120 nan 0.000 0.248 99 V C 2.198 178.265 176.094 -0.046 0.000 1.055 99 V CA 4.477 66.758 62.300 -0.031 0.000 1.038 99 V CB -0.811 30.995 31.823 -0.028 0.000 0.651 99 V HN -0.192 7.988 8.190 -0.016 0.000 0.450 100 I N -0.725 119.816 120.570 -0.048 0.000 2.226 100 I HA -0.590 nan 4.170 nan 0.000 0.245 100 I C 1.847 177.914 176.117 -0.084 0.000 1.100 100 I CA 4.478 65.743 61.300 -0.058 0.000 1.374 100 I CB -0.212 37.757 38.000 -0.052 0.000 1.057 100 I HN -0.356 7.830 8.210 -0.041 0.000 0.413 101 I N -0.687 119.822 120.570 -0.101 0.000 2.315 101 I HA -0.541 nan 4.170 nan 0.000 0.248 101 I C 1.499 177.509 176.117 -0.179 0.000 1.117 101 I CA 4.039 65.240 61.300 -0.165 0.000 1.404 101 I CB -0.536 37.352 38.000 -0.187 0.000 1.071 101 I HN -0.227 7.933 8.210 -0.083 0.000 0.419 102 A N -0.315 122.434 122.820 -0.118 0.000 1.877 102 A HA -0.309 nan 4.320 nan 0.000 0.216 102 A C 2.037 179.576 177.584 -0.075 0.000 1.186 102 A CA 3.653 55.637 52.037 -0.088 0.000 0.620 102 A CB -1.103 17.871 19.000 -0.043 0.000 0.822 102 A HN 0.492 8.587 8.150 -0.092 0.000 0.443 103 G N -2.216 106.544 108.800 -0.067 0.000 2.440 103 G HA2 -0.403 nan 3.960 nan 0.000 0.218 103 G HA3 -0.403 nan 3.960 nan 0.000 0.218 103 G C 1.093 175.954 174.900 -0.064 0.000 1.154 103 G CA 1.950 47.017 45.100 -0.055 0.000 0.767 103 G HN -0.019 8.232 8.290 -0.065 0.000 0.552 104 G N 1.597 110.339 108.800 -0.096 0.000 2.433 104 G HA2 -0.237 nan 3.960 nan 0.000 0.216 104 G HA3 -0.237 nan 3.960 nan 0.000 0.216 104 G C 1.091 175.921 174.900 -0.118 0.000 1.186 104 G CA 1.751 46.786 45.100 -0.109 0.000 0.779 104 G HN -0.390 7.763 8.290 -0.106 0.074 0.543 105 L N 2.009 123.115 121.223 -0.195 0.000 2.043 105 L HA -0.242 nan 4.340 nan 0.000 0.212 105 L C 2.468 179.373 176.870 0.059 0.000 1.075 105 L CA 2.406 57.118 54.840 -0.214 0.000 0.752 105 L CB -0.744 41.094 42.059 -0.368 0.000 0.891 105 L HN 0.370 8.354 8.230 -0.232 0.107 0.432 106 L N -1.286 119.960 121.223 0.037 0.000 2.027 106 L HA -0.379 nan 4.340 nan 0.000 0.206 106 L C 2.244 179.140 176.870 0.043 0.000 1.074 106 L CA 3.183 58.061 54.840 0.063 0.000 0.745 106 L CB -0.889 41.182 42.059 0.020 0.000 0.898 106 L HN 0.175 8.389 8.230 -0.019 0.005 0.433 107 Q N -1.314 118.493 119.800 0.012 0.000 2.135 107 Q HA -0.440 nan 4.340 nan 0.000 0.204 107 Q C 2.551 178.565 176.000 0.023 0.000 0.981 107 Q CA 3.445 59.252 55.803 0.005 0.000 0.856 107 Q CB -0.105 28.626 28.738 -0.012 0.000 0.902 107 Q HN 0.027 8.293 8.270 -0.007 0.000 0.425 108 Q N -2.255 117.570 119.800 0.041 0.000 2.172 108 Q HA -0.236 nan 4.340 nan 0.000 0.200 108 Q C 2.275 178.334 176.000 0.098 0.000 0.964 108 Q CA 2.244 58.088 55.803 0.068 0.000 0.855 108 Q CB -0.415 28.372 28.738 0.082 0.000 0.918 108 Q HN -0.039 8.247 8.270 0.027 0.000 0.444 109 A N -0.305 122.593 122.820 0.130 0.000 1.930 109 A HA -0.318 nan 4.320 nan 0.000 0.217 109 A C 2.044 179.643 177.584 0.024 0.000 1.175 109 A CA 2.820 54.905 52.037 0.080 0.000 0.627 109 A CB -0.935 18.111 19.000 0.077 0.000 0.815 109 A HN -0.231 7.925 8.150 0.154 0.086 0.443 110 Q N -0.617 119.197 119.800 0.024 0.000 2.014 110 Q HA -0.395 nan 4.340 nan 0.000 0.207 110 Q C 2.396 178.399 176.000 0.006 0.000 0.993 110 Q CA 3.364 59.171 55.803 0.006 0.000 0.850 110 Q CB -0.452 28.289 28.738 0.005 0.000 0.916 110 Q HN -0.108 8.179 8.270 0.036 0.005 0.417 111 G N -1.311 107.498 108.800 0.015 0.000 2.514 111 G HA2 -0.378 nan 3.960 nan 0.000 0.217 111 G HA3 -0.378 nan 3.960 nan 0.000 0.217 111 G C 1.455 176.362 174.900 0.011 0.000 1.198 111 G CA 1.885 46.993 45.100 0.014 0.000 0.780 111 G HN -0.715 7.587 8.290 0.021 0.000 0.565 112 L N 0.846 122.078 121.223 0.016 0.000 2.129 112 L HA -0.432 nan 4.340 nan 0.000 0.212 112 L C 2.215 179.080 176.870 -0.009 0.000 1.087 112 L CA 2.658 57.502 54.840 0.007 0.000 0.757 112 L CB -0.302 41.760 42.059 0.005 0.000 0.896 112 L HN -0.634 7.613 8.230 0.028 0.000 0.434 113 I N -0.789 119.771 120.570 -0.017 0.000 2.500 113 I HA -0.481 nan 4.170 nan 0.000 0.252 113 I C 2.332 178.439 176.117 -0.015 0.000 1.142 113 I CA 3.769 65.052 61.300 -0.028 0.000 1.451 113 I CB -0.390 37.584 38.000 -0.042 0.000 1.093 113 I HN 0.301 8.396 8.210 -0.013 0.108 0.430 114 N N 1.524 120.220 118.700 -0.008 0.000 2.364 114 N HA -0.241 nan 4.740 nan 0.000 0.183 114 N C 1.262 176.772 175.510 -0.000 0.000 1.022 114 N CA 2.656 55.704 53.050 -0.003 0.000 0.883 114 N CB -0.554 37.933 38.487 0.000 0.000 0.965 114 N HN -0.079 8.205 8.380 -0.006 0.092 0.438 115 Q N -3.432 116.368 119.800 0.001 0.000 2.280 115 Q HA 0.165 nan 4.340 nan 0.000 0.201 115 Q C -0.975 175.028 176.000 0.005 0.000 0.890 115 Q CA -0.286 55.519 55.803 0.004 0.000 0.947 115 Q CB 0.090 28.832 28.738 0.006 0.000 1.081 115 Q HN -0.717 7.398 8.270 -0.000 0.154 0.502 116 N N -3.824 114.878 118.700 0.003 0.000 2.815 116 N HA -0.403 nan 4.740 nan 0.000 0.249 116 N C -1.175 174.346 175.510 0.019 0.000 1.114 116 N CA 1.075 54.131 53.050 0.010 0.000 0.717 116 N CB -0.691 37.805 38.487 0.015 0.000 1.074 116 N HN -0.087 8.089 8.380 -0.002 0.203 0.555 117 V N -1.128 118.790 119.914 0.006 0.000 2.432 117 V HA 0.143 nan 4.120 nan 0.000 0.271 117 V C -0.048 176.053 176.094 0.012 0.000 1.046 117 V CA -0.651 61.657 62.300 0.014 0.000 0.945 117 V CB 0.142 31.963 31.823 -0.004 0.000 0.992 117 V HN -0.596 7.591 8.190 -0.005 0.000 0.471 118 H N 10.188 129.239 119.070 -0.032 0.000 3.004 118 H HA 0.061 nan 4.556 nan 0.000 0.316 118 H C -1.067 174.230 175.328 -0.050 0.000 1.014 118 H CA -1.089 54.938 56.048 -0.034 0.000 1.454 118 H CB 0.857 30.602 29.762 -0.028 0.000 1.472 118 H HN 0.168 8.534 8.280 0.144 0.000 0.571 119 P HA -0.319 nan 4.420 nan 0.000 0.219 119 P C 0.625 177.850 177.300 -0.126 0.000 1.144 119 P CA 2.660 65.599 63.100 -0.268 0.000 0.806 119 P CB 0.023 31.531 31.700 -0.320 0.000 0.771 120 T N 0.050 114.639 114.554 0.060 0.000 2.942 120 T HA -0.121 nan 4.350 nan 0.000 0.265 120 T C 2.181 176.918 174.700 0.061 0.000 1.062 120 T CA 4.367 66.554 62.100 0.146 0.000 1.139 120 T CB -0.229 68.826 68.868 0.312 0.000 0.883 120 T HN -0.219 8.047 8.240 0.143 0.060 0.468 121 V N 2.711 122.661 119.914 0.061 0.000 2.244 121 V HA -0.376 nan 4.120 nan 0.000 0.244 121 V C 1.403 177.460 176.094 -0.062 0.000 1.042 121 V CA 4.471 66.775 62.300 0.007 0.000 1.006 121 V CB -0.982 30.850 31.823 0.015 0.000 0.641 121 V HN 0.242 8.395 8.190 0.120 0.109 0.446 122 I N -1.522 118.968 120.570 -0.133 0.000 2.145 122 I HA -0.730 nan 4.170 nan 0.000 0.244 122 I C 1.985 177.841 176.117 -0.435 0.000 1.075 122 I CA 4.641 65.740 61.300 -0.336 0.000 1.332 122 I CB -0.744 37.019 38.000 -0.394 0.000 1.033 122 I HN -0.645 7.508 8.210 -0.095 0.000 0.410 123 S N -0.911 114.652 115.700 -0.229 0.000 2.402 123 S HA -0.314 nan 4.470 nan 0.000 0.229 123 S C 2.357 176.959 174.600 0.003 0.000 1.021 123 S CA 3.323 61.467 58.200 -0.093 0.000 0.974 123 S CB -0.435 62.748 63.200 -0.029 0.000 0.800 123 S HN -0.098 8.111 8.310 -0.169 0.000 0.484 124 E N 2.625 122.821 120.200 -0.008 0.000 2.046 124 E HA -0.232 nan 4.350 nan 0.000 0.190 124 E C 2.352 178.980 176.600 0.046 0.000 0.982 124 E CA 2.572 58.985 56.400 0.022 0.000 0.800 124 E CB -0.115 29.591 29.700 0.011 0.000 0.756 124 E HN -0.441 7.802 8.360 -0.030 0.099 0.449 125 G N -0.515 108.306 108.800 0.035 0.000 2.446 125 G HA2 -0.300 nan 3.960 nan 0.000 0.217 125 G HA3 -0.300 nan 3.960 nan 0.000 0.217 125 G C 1.578 176.612 174.900 0.223 0.000 1.168 125 G CA 2.383 47.542 45.100 0.098 0.000 0.771 125 G HN 0.512 8.795 8.290 -0.012 0.000 0.551 126 Y N 1.404 121.742 120.300 0.063 0.000 2.145 126 Y HA -0.229 nan 4.550 nan 0.000 0.286 126 Y C 2.524 178.402 175.900 -0.037 0.000 1.145 126 Y CA 0.812 58.978 58.100 0.111 0.000 1.148 126 Y CB -0.760 37.840 38.460 0.233 0.000 0.981 126 Y HN 0.023 8.420 8.280 0.196 0.000 0.507 127 R N -0.784 119.821 120.500 0.174 0.000 2.091 127 R HA -0.409 nan 4.340 nan 0.000 0.238 127 R C 2.743 179.039 176.300 -0.007 0.000 1.136 127 R CA 3.642 59.786 56.100 0.073 0.000 0.959 127 R CB -0.196 30.145 30.300 0.068 0.000 0.856 127 R HN -0.390 7.995 8.270 0.192 0.000 0.437 128 M N -0.938 118.664 119.600 0.004 0.000 2.077 128 M HA -0.365 nan 4.480 nan 0.000 0.261 128 M C 1.774 178.018 176.300 -0.093 0.000 1.070 128 M CA 3.907 59.215 55.300 0.014 0.000 1.125 128 M CB 0.163 32.826 32.600 0.104 0.000 1.339 128 M HN 0.091 8.406 8.290 0.042 0.000 0.409 129 A N -1.430 121.267 122.820 -0.205 0.000 1.986 129 A HA -0.400 nan 4.320 nan 0.000 0.220 129 A C 1.969 179.108 177.584 -0.743 0.000 1.171 129 A CA 3.128 54.865 52.037 -0.501 0.000 0.640 129 A CB -1.277 17.254 19.000 -0.782 0.000 0.811 129 A HN 0.209 8.282 8.150 -0.128 0.000 0.451 130 S N -2.207 113.083 115.700 -0.684 0.000 2.368 130 S HA -0.372 nan 4.470 nan 0.000 0.225 130 S C 1.963 176.452 174.600 -0.184 0.000 1.030 130 S CA 3.849 61.839 58.200 -0.350 0.000 0.999 130 S CB -0.216 62.930 63.200 -0.090 0.000 0.844 130 S HN 0.132 8.086 8.310 -0.578 0.009 0.459 131 E N 0.842 120.942 120.200 -0.166 0.000 2.047 131 E HA -0.273 nan 4.350 nan 0.000 0.191 131 E C 2.258 178.747 176.600 -0.185 0.000 0.987 131 E CA 2.945 59.270 56.400 -0.124 0.000 0.799 131 E CB -0.418 29.231 29.700 -0.084 0.000 0.752 131 E HN -0.718 7.457 8.360 -0.166 0.086 0.449 132 E N -0.241 119.775 120.200 -0.307 0.000 2.110 132 E HA -0.276 nan 4.350 nan 0.000 0.193 132 E C 2.096 178.529 176.600 -0.278 0.000 0.988 132 E CA 2.585 58.722 56.400 -0.439 0.000 0.804 132 E CB -0.473 28.679 29.700 -0.913 0.000 0.745 132 E HN -0.017 8.156 8.360 -0.311 0.000 0.458 133 A N -0.764 121.926 122.820 -0.218 0.000 1.898 133 A HA -0.261 nan 4.320 nan 0.000 0.216 133 A C 2.234 179.784 177.584 -0.055 0.000 1.181 133 A CA 3.263 55.242 52.037 -0.097 0.000 0.620 133 A CB -0.724 18.267 19.000 -0.015 0.000 0.819 133 A HN 0.239 8.145 8.150 -0.270 0.082 0.442 134 K N -1.819 118.546 120.400 -0.058 0.000 2.103 134 K HA -0.391 nan 4.320 nan 0.000 0.207 134 K C 2.095 178.670 176.600 -0.041 0.000 1.048 134 K CA 3.492 59.760 56.287 -0.031 0.000 0.930 134 K CB -0.264 32.220 32.500 -0.027 0.000 0.716 134 K HN -0.335 7.869 8.250 -0.078 0.000 0.444 135 R N -0.138 120.319 120.500 -0.073 0.000 2.082 135 R HA -0.326 nan 4.340 nan 0.000 0.234 135 R C 2.072 178.339 176.300 -0.056 0.000 1.136 135 R CA 3.481 59.538 56.100 -0.072 0.000 0.935 135 R CB -0.056 30.176 30.300 -0.114 0.000 0.842 135 R HN -0.517 7.693 8.270 -0.099 0.001 0.430 136 V N -0.518 119.357 119.914 -0.065 0.000 2.370 136 V HA -0.437 nan 4.120 nan 0.000 0.252 136 V C 2.238 178.330 176.094 -0.004 0.000 1.068 136 V CA 4.247 66.529 62.300 -0.029 0.000 1.061 136 V CB -0.912 30.900 31.823 -0.018 0.000 0.656 136 V HN 0.118 8.248 8.190 -0.099 0.000 0.455 137 I N -0.636 119.931 120.570 -0.004 0.000 2.163 137 I HA -0.651 nan 4.170 nan 0.000 0.240 137 I C 1.602 177.716 176.117 -0.004 0.000 1.081 137 I CA 4.416 65.720 61.300 0.007 0.000 1.353 137 I CB -0.334 37.674 38.000 0.013 0.000 1.054 137 I HN -0.405 7.787 8.210 -0.013 0.010 0.407 138 D N -0.905 119.488 120.400 -0.011 0.000 2.116 138 D HA -0.395 nan 4.640 nan 0.000 0.193 138 D C 2.597 178.886 176.300 -0.019 0.000 0.998 138 D CA 3.992 57.983 54.000 -0.014 0.000 0.836 138 D CB -0.352 40.439 40.800 -0.015 0.000 0.951 138 D HN -0.325 8.037 8.370 -0.013 0.000 0.449 139 E N 0.424 120.614 120.200 -0.017 0.000 2.005 139 E HA -0.256 nan 4.350 nan 0.000 0.198 139 E C 2.364 178.956 176.600 -0.013 0.000 1.010 139 E CA 2.692 59.084 56.400 -0.014 0.000 0.825 139 E CB 0.171 29.865 29.700 -0.009 0.000 0.769 139 E HN -0.149 8.202 8.360 -0.018 -0.003 0.456 140 I N -5.898 114.671 120.570 -0.001 0.000 3.241 140 I HA -0.095 nan 4.170 nan 0.000 0.280 140 I C 0.558 176.657 176.117 -0.030 0.000 1.320 140 I CA 1.035 62.336 61.300 0.002 0.000 1.413 140 I CB -0.148 37.875 38.000 0.038 0.000 1.060 140 I HN 0.072 8.177 8.210 0.006 0.108 0.500 141 S N 2.345 118.015 115.700 -0.049 0.000 2.641 141 S HA -0.051 nan 4.470 nan 0.000 0.251 141 S C 0.307 174.787 174.600 -0.200 0.000 1.332 141 S CA 1.147 59.284 58.200 -0.105 0.000 0.968 141 S CB 0.821 63.975 63.200 -0.076 0.000 0.987 141 S HN -0.392 7.724 8.310 -0.034 0.174 0.587 142 T N 2.023 116.346 114.554 -0.385 0.000 3.109 142 T HA 0.170 nan 4.350 nan 0.000 0.311 142 T C -1.280 173.120 174.700 -0.500 0.000 1.011 142 T CA 0.040 61.829 62.100 -0.519 0.000 1.026 142 T CB 2.647 70.966 68.868 -0.915 0.000 1.047 142 T HN 0.024 8.015 8.240 -0.415 0.000 0.448 143 K N 5.097 125.377 120.400 -0.200 0.000 2.295 143 K HA 0.221 nan 4.320 nan 0.000 0.270 143 K C -0.353 176.284 176.600 0.062 0.000 1.011 143 K CA 0.217 56.475 56.287 -0.048 0.000 0.953 143 K CB 0.545 33.044 32.500 -0.001 0.000 0.956 143 K HN 0.261 8.420 8.250 -0.152 0.000 0.477 144 I N 2.597 123.271 120.570 0.173 0.000 2.416 144 I HA -0.066 nan 4.170 nan 0.000 0.288 144 I C -0.254 175.958 176.117 0.158 0.000 1.051 144 I CA 0.751 62.202 61.300 0.252 0.000 1.375 144 I CB -0.092 38.044 38.000 0.226 0.000 1.407 144 I HN 0.624 8.814 8.210 0.145 0.107 0.516 145 G N 6.981 115.867 108.800 0.143 0.000 3.271 145 G HA2 0.147 nan 3.960 nan 0.000 0.174 145 G HA3 0.147 nan 3.960 nan 0.000 0.174 145 G C 0.012 174.965 174.900 0.089 0.000 1.385 145 G CA -0.292 44.868 45.100 0.101 0.000 0.979 145 G HN 0.205 8.597 8.290 0.171 0.000 0.610 146 A N -1.223 121.638 122.820 0.068 0.000 2.216 146 A HA 0.031 nan 4.320 nan 0.000 0.214 146 A C 0.564 178.176 177.584 0.047 0.000 1.160 146 A CA 1.677 53.748 52.037 0.057 0.000 0.725 146 A CB -0.283 18.743 19.000 0.043 0.000 0.784 146 A HN 0.182 8.369 8.150 0.063 0.000 0.472 147 D N -1.794 118.635 120.400 0.049 0.000 2.349 147 D HA 0.014 nan 4.640 nan 0.000 0.224 147 D C 0.916 177.218 176.300 0.004 0.000 1.029 147 D CA -0.025 53.988 54.000 0.022 0.000 0.879 147 D CB -0.457 40.360 40.800 0.029 0.000 0.906 147 D HN 0.023 8.346 8.370 0.065 0.085 0.528 148 E N 0.328 120.551 120.200 0.037 0.000 2.160 148 E HA -0.610 nan 4.350 nan 0.000 0.237 148 E C 1.389 177.973 176.600 -0.028 0.000 1.069 148 E CA 3.553 59.978 56.400 0.041 0.000 0.950 148 E CB -0.112 29.646 29.700 0.097 0.000 0.832 148 E HN -0.601 7.718 8.360 0.061 0.079 0.496 149 K N -1.158 119.192 120.400 -0.082 0.000 2.044 149 K HA -0.291 nan 4.320 nan 0.000 0.210 149 K C 2.031 178.416 176.600 -0.358 0.000 1.049 149 K CA 2.868 58.941 56.287 -0.358 0.000 0.927 149 K CB -0.706 31.605 32.500 -0.315 0.000 0.713 149 K HN 0.294 8.531 8.250 -0.021 0.000 0.443 150 A N -1.382 121.317 122.820 -0.202 0.000 1.898 150 A HA -0.185 nan 4.320 nan 0.000 0.216 150 A C 2.439 179.926 177.584 -0.162 0.000 1.181 150 A CA 2.730 54.667 52.037 -0.167 0.000 0.620 150 A CB -0.940 17.995 19.000 -0.109 0.000 0.819 150 A HN -0.566 7.497 8.150 -0.144 0.000 0.442 151 L N -1.309 119.823 121.223 -0.151 0.000 1.976 151 L HA -0.446 nan 4.340 nan 0.000 0.209 151 L C 2.210 178.983 176.870 -0.161 0.000 1.071 151 L CA 3.139 57.863 54.840 -0.193 0.000 0.746 151 L CB -0.260 41.673 42.059 -0.210 0.000 0.890 151 L HN -0.256 7.900 8.230 -0.124 0.000 0.432 152 L N -2.555 118.605 121.223 -0.105 0.000 2.043 152 L HA -0.469 nan 4.340 nan 0.000 0.212 152 L C 2.477 179.316 176.870 -0.052 0.000 1.075 152 L CA 2.971 57.790 54.840 -0.035 0.000 0.752 152 L CB -0.860 41.255 42.059 0.093 0.000 0.891 152 L HN -0.083 8.090 8.230 -0.095 0.000 0.432 153 L N -1.352 119.787 121.223 -0.141 0.000 2.012 153 L HA -0.411 nan 4.340 nan 0.000 0.210 153 L C 2.099 178.924 176.870 -0.075 0.000 1.073 153 L CA 2.923 57.693 54.840 -0.117 0.000 0.748 153 L CB -1.298 40.652 42.059 -0.181 0.000 0.891 153 L HN -0.330 7.764 8.230 -0.228 0.000 0.431 154 K N -1.511 118.832 120.400 -0.095 0.000 2.152 154 K HA -0.395 nan 4.320 nan 0.000 0.206 154 K C 2.895 179.461 176.600 -0.057 0.000 1.048 154 K CA 3.359 59.600 56.287 -0.077 0.000 0.933 154 K CB -0.307 32.130 32.500 -0.105 0.000 0.721 154 K HN -0.455 7.721 8.250 -0.123 0.000 0.447 155 M N -0.632 118.930 119.600 -0.062 0.000 2.098 155 M HA -0.337 nan 4.480 nan 0.000 0.262 155 M C 1.773 178.076 176.300 0.004 0.000 1.072 155 M CA 3.738 59.020 55.300 -0.030 0.000 1.133 155 M CB 0.176 32.760 32.600 -0.025 0.000 1.344 155 M HN 0.063 8.190 8.290 -0.083 0.114 0.414 156 A N -1.428 121.400 122.820 0.013 0.000 1.940 156 A HA -0.390 nan 4.320 nan 0.000 0.219 156 A C 2.148 179.747 177.584 0.025 0.000 1.176 156 A CA 3.188 55.243 52.037 0.031 0.000 0.631 156 A CB -1.039 17.988 19.000 0.044 0.000 0.814 156 A HN 0.301 8.454 8.150 0.005 0.000 0.446 157 Q N -2.439 117.367 119.800 0.010 0.000 2.079 157 Q HA -0.381 nan 4.340 nan 0.000 0.200 157 Q C 2.766 178.783 176.000 0.028 0.000 0.974 157 Q CA 3.398 59.208 55.803 0.013 0.000 0.840 157 Q CB 0.029 28.766 28.738 -0.001 0.000 0.898 157 Q HN 0.169 8.430 8.270 -0.003 0.007 0.430 158 T N 2.384 116.954 114.554 0.028 0.000 2.665 158 T HA -0.376 nan 4.350 nan 0.000 0.268 158 T C 1.968 176.694 174.700 0.043 0.000 1.035 158 T CA 4.595 66.720 62.100 0.041 0.000 1.151 158 T CB -0.706 68.179 68.868 0.028 0.000 0.862 158 T HN -0.449 7.799 8.240 0.014 0.000 0.438 159 S N 1.249 116.972 115.700 0.038 0.000 2.343 159 S HA -0.276 nan 4.470 nan 0.000 0.219 159 S C 2.147 176.771 174.600 0.040 0.000 1.033 159 S CA 3.521 61.746 58.200 0.041 0.000 1.014 159 S CB -0.191 63.037 63.200 0.047 0.000 0.915 159 S HN -0.581 7.750 8.310 0.034 0.000 0.435 160 L N 0.635 121.881 121.223 0.039 0.000 2.261 160 L HA -0.426 nan 4.340 nan 0.000 0.216 160 L C 1.457 178.350 176.870 0.040 0.000 1.114 160 L CA 2.345 57.206 54.840 0.035 0.000 0.777 160 L CB -0.565 41.512 42.059 0.029 0.000 0.910 160 L HN -0.253 8.000 8.230 0.038 0.000 0.440 161 N N -2.516 116.215 118.700 0.052 0.000 2.289 161 N HA -0.297 nan 4.740 nan 0.000 0.184 161 N C 1.235 176.791 175.510 0.077 0.000 1.016 161 N CA 2.556 55.653 53.050 0.078 0.000 0.872 161 N CB 0.016 38.574 38.487 0.117 0.000 0.973 161 N HN -0.214 8.050 8.380 0.050 0.146 0.433 162 S N -2.810 112.922 115.700 0.053 0.000 2.446 162 S HA 0.022 nan 4.470 nan 0.000 0.225 162 S C 0.006 174.625 174.600 0.031 0.000 1.016 162 S CA 1.619 59.843 58.200 0.039 0.000 0.943 162 S CB 0.653 63.868 63.200 0.026 0.000 0.786 162 S HN -0.383 7.919 8.310 0.047 0.035 0.508 163 K N 0.159 120.577 120.400 0.030 0.000 2.127 163 K HA 0.167 nan 4.320 nan 0.000 0.240 163 K C 0.529 177.144 176.600 0.024 0.000 1.024 163 K CA -1.316 54.985 56.287 0.024 0.000 0.918 163 K CB 1.075 33.589 32.500 0.023 0.000 1.108 163 K HN -0.900 7.232 8.250 0.034 0.139 0.485 164 S N 0.716 116.428 115.700 0.020 0.000 2.555 164 S HA -0.078 nan 4.470 nan 0.000 0.230 164 S C 1.069 175.679 174.600 0.017 0.000 0.978 164 S CA 2.540 60.751 58.200 0.019 0.000 0.934 164 S CB -0.393 62.818 63.200 0.018 0.000 0.766 164 S HN 0.810 9.131 8.310 0.018 0.000 0.533 165 A N 1.275 124.106 122.820 0.018 0.000 2.169 165 A HA 0.040 nan 4.320 nan 0.000 0.212 165 A C 1.564 179.156 177.584 0.015 0.000 1.153 165 A CA 1.335 53.382 52.037 0.017 0.000 0.756 165 A CB -0.426 18.586 19.000 0.020 0.000 0.813 165 A HN 0.268 8.364 8.150 0.020 0.066 0.471 166 S N 0.158 115.869 115.700 0.018 0.000 2.380 166 S HA -0.446 nan 4.470 nan 0.000 0.229 166 S C 1.812 176.412 174.600 0.001 0.000 1.043 166 S CA 3.493 61.701 58.200 0.014 0.000 1.038 166 S CB -0.835 62.379 63.200 0.022 0.000 0.872 166 S HN -0.250 7.914 8.310 0.022 0.160 0.456 167 V N 2.294 122.208 119.914 0.001 0.000 2.418 167 V HA -0.295 nan 4.120 nan 0.000 0.258 167 V C 0.580 176.670 176.094 -0.007 0.000 1.088 167 V CA 2.231 64.528 62.300 -0.005 0.000 1.091 167 V CB -0.555 31.268 31.823 0.000 0.000 0.669 167 V HN -0.139 8.054 8.190 0.006 0.001 0.461 168 A N -4.284 118.535 122.820 -0.002 0.000 2.806 168 A HA 0.393 nan 4.320 nan 0.000 0.266 168 A C -0.252 177.332 177.584 0.000 0.000 0.926 168 A CA -0.357 51.678 52.037 -0.002 0.000 1.068 168 A CB 0.180 19.181 19.000 0.002 0.000 1.189 168 A HN 0.007 7.991 8.150 0.002 0.167 0.481 169 K N 0.090 120.488 120.400 -0.003 0.000 2.097 169 K HA -0.350 nan 4.320 nan 0.000 0.206 169 K C 1.103 177.702 176.600 -0.002 0.000 1.049 169 K CA 3.489 59.777 56.287 0.002 0.000 0.933 169 K CB -0.474 32.027 32.500 0.001 0.000 0.717 169 K HN 0.330 8.497 8.250 -0.007 0.078 0.442 170 D N -0.663 119.730 120.400 -0.011 0.000 2.117 170 D HA -0.228 nan 4.640 nan 0.000 0.198 170 D C 2.240 178.537 176.300 -0.005 0.000 0.982 170 D CA 3.774 57.765 54.000 -0.014 0.000 0.828 170 D CB -0.579 40.208 40.800 -0.022 0.000 0.967 170 D HN 0.344 8.705 8.370 -0.015 0.000 0.464 171 K N 0.924 121.323 120.400 -0.001 0.000 2.031 171 K HA -0.138 nan 4.320 nan 0.000 0.205 171 K C 2.161 178.769 176.600 0.013 0.000 1.049 171 K CA 2.475 58.765 56.287 0.005 0.000 0.939 171 K CB -0.040 32.462 32.500 0.004 0.000 0.717 171 K HN -0.651 7.597 8.250 -0.004 0.000 0.438 172 L N -1.605 119.626 121.223 0.014 0.000 2.083 172 L HA -0.315 nan 4.340 nan 0.000 0.209 172 L C 1.973 178.861 176.870 0.029 0.000 1.083 172 L CA 2.747 57.600 54.840 0.021 0.000 0.752 172 L CB -0.451 41.620 42.059 0.021 0.000 0.899 172 L HN -0.133 8.103 8.230 0.010 0.000 0.433 173 A N -1.183 121.652 122.820 0.026 0.000 1.902 173 A HA -0.355 nan 4.320 nan 0.000 0.217 173 A C 1.900 179.519 177.584 0.059 0.000 1.181 173 A CA 3.409 55.467 52.037 0.035 0.000 0.623 173 A CB -1.090 17.918 19.000 0.014 0.000 0.818 173 A HN 0.292 8.346 8.150 0.017 0.106 0.443 174 E N -0.674 119.554 120.200 0.046 0.000 2.051 174 E HA -0.285 nan 4.350 nan 0.000 0.192 174 E C 2.127 178.783 176.600 0.093 0.000 0.991 174 E CA 2.331 58.776 56.400 0.074 0.000 0.799 174 E CB -0.500 29.224 29.700 0.040 0.000 0.748 174 E HN -0.666 7.709 8.360 0.026 0.000 0.449 175 I N -0.633 119.967 120.570 0.049 0.000 2.163 175 I HA -0.588 nan 4.170 nan 0.000 0.243 175 I C 2.116 178.243 176.117 0.015 0.000 1.085 175 I CA 4.196 65.511 61.300 0.025 0.000 1.347 175 I CB -0.270 37.738 38.000 0.015 0.000 1.044 175 I HN -0.136 8.097 8.210 0.038 0.000 0.408 176 S N 0.221 115.942 115.700 0.034 0.000 2.370 176 S HA -0.357 nan 4.470 nan 0.000 0.226 176 S C 2.119 176.722 174.600 0.005 0.000 1.033 176 S CA 3.813 62.028 58.200 0.024 0.000 1.011 176 S CB -0.403 62.827 63.200 0.051 0.000 0.852 176 S HN 0.170 8.506 8.310 0.044 0.000 0.457 177 Y N 2.851 123.122 120.300 -0.048 0.000 2.114 177 Y HA -0.448 nan 4.550 nan 0.000 0.284 177 Y C 1.584 177.439 175.900 -0.074 0.000 1.143 177 Y CA 3.613 61.674 58.100 -0.065 0.000 1.135 177 Y CB 0.063 38.491 38.460 -0.054 0.000 0.980 177 Y HN 0.129 8.518 8.280 0.182 0.000 0.499 178 E N -0.765 119.357 120.200 -0.130 0.000 2.070 178 E HA -0.532 nan 4.350 nan 0.000 0.197 178 E C 2.457 178.913 176.600 -0.239 0.000 1.004 178 E CA 3.843 60.131 56.400 -0.187 0.000 0.805 178 E CB -0.346 29.337 29.700 -0.028 0.000 0.744 178 E HN 0.264 8.684 8.360 0.101 0.000 0.451 179 A N -0.741 121.971 122.820 -0.179 0.000 1.865 179 A HA -0.275 nan 4.320 nan 0.000 0.217 179 A C 2.310 179.729 177.584 -0.276 0.000 1.191 179 A CA 3.423 55.345 52.037 -0.192 0.000 0.623 179 A CB -0.668 18.244 19.000 -0.147 0.000 0.826 179 A HN 0.060 8.137 8.150 -0.123 0.000 0.444 180 V N -1.068 118.658 119.914 -0.315 0.000 2.343 180 V HA -0.464 nan 4.120 nan 0.000 0.247 180 V C 2.331 178.196 176.094 -0.381 0.000 1.051 180 V CA 4.372 66.446 62.300 -0.375 0.000 1.036 180 V CB -1.022 30.608 31.823 -0.322 0.000 0.654 180 V HN -0.374 7.654 8.190 -0.269 0.000 0.451 181 K N -1.191 118.926 120.400 -0.472 0.000 2.103 181 K HA -0.290 nan 4.320 nan 0.000 0.207 181 K C 3.155 179.596 176.600 -0.264 0.000 1.048 181 K CA 2.369 58.389 56.287 -0.445 0.000 0.930 181 K CB -0.849 31.236 32.500 -0.690 0.000 0.716 181 K HN 0.128 8.033 8.250 -0.575 0.000 0.444 182 S N -0.945 114.608 115.700 -0.246 0.000 2.382 182 S HA -0.188 nan 4.470 nan 0.000 0.228 182 S C 1.160 175.671 174.600 -0.149 0.000 1.027 182 S CA 3.094 61.195 58.200 -0.164 0.000 0.991 182 S CB 0.232 63.342 63.200 -0.149 0.000 0.823 182 S HN -0.139 7.911 8.310 -0.286 0.088 0.469 183 V N -7.040 112.752 119.914 -0.203 0.000 3.621 183 V HA 0.266 nan 4.120 nan 0.000 0.285 183 V C -0.763 175.214 176.094 -0.194 0.000 1.346 183 V CA -1.639 60.539 62.300 -0.204 0.000 1.104 183 V CB -0.261 31.392 31.823 -0.283 0.000 0.913 183 V HN -0.814 7.131 8.190 -0.253 0.093 0.432 184 A N 0.659 123.385 122.820 -0.158 0.000 2.409 184 A HA 0.117 nan 4.320 nan 0.000 0.267 184 A C -0.844 176.800 177.584 0.100 0.000 1.127 184 A CA -0.298 51.703 52.037 -0.059 0.000 0.795 184 A CB 0.401 19.352 19.000 -0.080 0.000 1.061 184 A HN -0.547 7.446 8.150 -0.174 0.054 0.502 185 E N 4.261 124.546 120.200 0.142 0.000 2.115 185 E HA 0.120 nan 4.350 nan 0.000 0.282 185 E C -1.183 175.506 176.600 0.148 0.000 0.987 185 E CA -1.169 55.333 56.400 0.169 0.000 0.797 185 E CB 1.953 31.804 29.700 0.253 0.000 1.086 185 E HN 0.773 9.080 8.360 0.087 0.105 0.397 186 L N 6.528 127.736 121.223 -0.025 0.000 2.387 186 L HA 0.039 nan 4.340 nan 0.000 0.267 186 L C -0.519 176.261 176.870 -0.150 0.000 1.197 186 L CA -0.693 53.961 54.840 -0.310 0.000 1.070 186 L CB -0.504 41.281 42.059 -0.456 0.000 1.349 186 L HN 0.670 8.901 8.230 0.001 0.000 0.422 187 R N 4.577 125.035 120.500 -0.069 0.000 2.088 187 R HA -0.111 nan 4.340 nan 0.000 0.195 187 R C 0.805 177.067 176.300 -0.065 0.000 1.137 187 R CA 2.286 58.358 56.100 -0.047 0.000 1.057 187 R CB 0.226 30.509 30.300 -0.027 0.000 0.748 187 R HN -0.080 8.145 8.270 -0.028 0.028 0.511 188 D N -0.403 119.966 120.400 -0.051 0.000 2.948 188 D HA -0.099 nan 4.640 nan 0.000 0.241 188 D C 0.309 176.575 176.300 -0.056 0.000 1.198 188 D CA 0.621 54.594 54.000 -0.045 0.000 0.926 188 D CB -2.094 38.688 40.800 -0.030 0.000 1.151 188 D HN -0.091 8.256 8.370 -0.039 0.000 0.441 189 G N -1.537 107.209 108.800 -0.091 0.000 2.184 189 G HA2 -0.434 nan 3.960 nan 0.000 0.264 189 G HA3 -0.434 nan 3.960 nan 0.000 0.264 189 G C -0.457 174.357 174.900 -0.144 0.000 0.975 189 G CA 0.531 45.564 45.100 -0.112 0.000 0.642 189 G HN -0.138 8.007 8.290 -0.101 0.084 0.536 190 K N -1.718 118.611 120.400 -0.117 0.000 2.211 190 K HA 0.426 nan 4.320 nan 0.000 0.237 190 K C -1.990 174.557 176.600 -0.088 0.000 1.002 190 K CA -2.028 54.228 56.287 -0.052 0.000 0.885 190 K CB 2.005 34.519 32.500 0.023 0.000 1.136 190 K HN -0.632 7.478 8.250 -0.099 0.081 0.448 191 Y N -2.182 118.159 120.300 0.068 0.000 2.377 191 Y HA 0.221 nan 4.550 nan 0.000 0.339 191 Y C -0.595 175.387 175.900 0.136 0.000 1.011 191 Y CA -0.650 57.496 58.100 0.078 0.000 1.093 191 Y CB 2.317 40.803 38.460 0.043 0.000 1.201 191 Y HN 0.040 8.481 8.280 0.268 0.000 0.455 192 Y N 4.058 124.467 120.300 0.181 0.000 2.361 192 Y HA 0.278 nan 4.550 nan 0.000 0.337 192 Y C -2.819 173.120 175.900 0.066 0.000 0.965 192 Y CA -1.625 56.534 58.100 0.098 0.000 1.091 192 Y CB 3.083 41.578 38.460 0.058 0.000 1.182 192 Y HN 0.926 9.324 8.280 0.388 0.115 0.450 193 V N 9.082 128.741 119.914 -0.426 0.000 2.350 193 V HA 0.260 nan 4.120 nan 0.000 0.285 193 V C -1.769 173.960 176.094 -0.609 0.000 1.014 193 V CA -1.152 60.844 62.300 -0.507 0.000 0.831 193 V CB 0.618 32.257 31.823 -0.306 0.000 1.000 193 V HN 0.414 8.833 8.190 -0.203 -0.351 0.433 194 D N 6.760 126.731 120.400 -0.715 0.000 2.359 194 D HA 0.129 nan 4.640 nan 0.000 0.230 194 D C 0.396 176.554 176.300 -0.237 0.000 1.118 194 D CA -1.779 51.984 54.000 -0.394 0.000 0.844 194 D CB 1.123 41.737 40.800 -0.310 0.000 1.059 194 D HN 0.234 8.182 8.370 -0.704 0.000 0.493 195 F N 4.686 124.545 119.950 -0.151 0.000 2.722 195 F HA -0.184 nan 4.527 nan 0.000 0.298 195 F C 0.974 176.740 175.800 -0.057 0.000 1.175 195 F CA 1.734 59.673 58.000 -0.102 0.000 1.462 195 F CB 0.086 39.050 39.000 -0.060 0.000 1.111 195 F HN 0.471 8.955 8.300 0.308 0.000 0.592 196 D N -1.126 119.313 120.400 0.066 0.000 2.352 196 D HA -0.097 nan 4.640 nan 0.000 0.232 196 D C 0.211 176.503 176.300 -0.014 0.000 1.055 196 D CA 1.237 55.263 54.000 0.043 0.000 0.891 196 D CB -1.064 39.765 40.800 0.047 0.000 0.897 196 D HN -0.585 7.974 8.370 0.050 -0.159 0.529 197 N N -3.082 115.572 118.700 -0.077 0.000 2.254 197 N HA 0.118 nan 4.740 nan 0.000 0.190 197 N C -1.247 174.183 175.510 -0.133 0.000 1.107 197 N CA 0.729 53.714 53.050 -0.109 0.000 0.869 197 N CB 2.287 40.683 38.487 -0.152 0.000 0.983 197 N HN -0.565 7.659 8.380 -0.116 0.086 0.487 198 I N -0.902 119.590 120.570 -0.130 0.000 2.382 198 I HA 0.251 nan 4.170 nan 0.000 0.285 198 I C -2.053 174.050 176.117 -0.023 0.000 1.007 198 I CA -1.042 60.188 61.300 -0.117 0.000 1.142 198 I CB 0.549 38.426 38.000 -0.204 0.000 1.289 198 I HN -0.611 7.376 8.210 -0.093 0.167 0.453 199 Q N 9.040 128.816 119.800 -0.040 0.000 2.331 199 Q HA 0.296 nan 4.340 nan 0.000 0.257 199 Q C -2.333 173.653 176.000 -0.023 0.000 0.957 199 Q CA -1.237 54.551 55.803 -0.024 0.000 0.923 199 Q CB 1.380 30.085 28.738 -0.055 0.000 1.212 199 Q HN 0.712 8.834 8.270 -0.068 0.108 0.443 200 V N 7.194 127.113 119.914 0.009 0.000 2.384 200 V HA 0.656 nan 4.120 nan 0.000 0.287 200 V C -1.034 175.061 176.094 0.001 0.000 1.020 200 V CA -0.767 61.539 62.300 0.010 0.000 0.850 200 V CB 0.736 32.586 31.823 0.045 0.000 0.987 200 V HN 0.311 8.518 8.190 0.028 0.000 0.436 201 V N 8.216 128.121 119.914 -0.014 0.000 2.789 201 V HA 0.442 nan 4.120 nan 0.000 0.311 201 V C -2.062 174.031 176.094 -0.003 0.000 1.073 201 V CA -1.280 61.014 62.300 -0.011 0.000 0.921 201 V CB 4.514 36.320 31.823 -0.027 0.000 1.009 201 V HN 0.879 9.056 8.190 -0.022 0.000 0.426 202 K N 4.193 124.595 120.400 0.002 0.000 2.270 202 K HA 0.864 nan 4.320 nan 0.000 0.255 202 K C -1.638 174.967 176.600 0.008 0.000 0.936 202 K CA -1.461 54.828 56.287 0.003 0.000 0.809 202 K CB 1.945 34.442 32.500 -0.005 0.000 1.131 202 K HN 0.157 8.409 8.250 0.003 0.000 0.427 203 K N 4.199 124.605 120.400 0.011 0.000 2.565 203 K HA 0.318 nan 4.320 nan 0.000 0.249 203 K C -1.389 175.216 176.600 0.008 0.000 0.958 203 K CA -0.714 55.582 56.287 0.014 0.000 0.806 203 K CB 3.365 35.883 32.500 0.030 0.000 1.194 203 K HN 0.850 9.107 8.250 0.011 0.000 0.434 204 Q N 4.405 124.207 119.800 0.003 0.000 2.397 204 Q HA 0.263 nan 4.340 nan 0.000 0.193 204 Q C 0.957 176.958 176.000 0.001 0.000 1.083 204 Q CA 0.239 56.044 55.803 0.002 0.000 1.108 204 Q CB 0.709 29.448 28.738 0.001 0.000 1.172 204 Q HN 0.507 8.778 8.270 0.001 0.000 0.617 205 G N -2.859 105.942 108.800 0.002 0.000 2.149 205 G HA2 -0.416 nan 3.960 nan 0.000 0.235 205 G HA3 -0.416 nan 3.960 nan 0.000 0.235 205 G C -1.463 173.436 174.900 -0.002 0.000 1.018 205 G CA -0.328 44.771 45.100 -0.002 0.000 0.728 205 G HN 0.093 8.279 8.290 0.004 0.107 0.508 206 G N -2.036 106.766 108.800 0.002 0.000 2.698 206 G HA2 0.235 nan 3.960 nan 0.000 0.293 206 G HA3 0.235 nan 3.960 nan 0.000 0.293 206 G C -2.041 172.862 174.900 0.005 0.000 1.437 206 G CA -0.471 44.631 45.100 0.004 0.000 0.852 206 G HN -0.775 7.518 8.290 0.004 0.000 0.499 207 A N -0.225 122.598 122.820 0.005 0.000 2.327 207 A HA 0.200 nan 4.320 nan 0.000 0.255 207 A C 1.368 178.957 177.584 0.007 0.000 1.099 207 A CA -0.893 51.147 52.037 0.006 0.000 0.801 207 A CB 1.248 20.250 19.000 0.004 0.000 1.062 207 A HN 0.145 8.588 8.150 0.004 -0.290 0.496 208 I N -0.642 119.932 120.570 0.007 0.000 2.493 208 I HA -0.426 nan 4.170 nan 0.000 0.254 208 I C 0.436 176.558 176.117 0.008 0.000 1.160 208 I CA 3.036 64.341 61.300 0.008 0.000 1.445 208 I CB -0.403 37.601 38.000 0.008 0.000 1.086 208 I HN 0.557 8.771 8.210 0.006 0.000 0.433 209 D N -0.240 120.164 120.400 0.006 0.000 2.264 209 D HA -0.205 nan 4.640 nan 0.000 0.208 209 D C 1.457 177.762 176.300 0.009 0.000 0.966 209 D CA 3.181 57.184 54.000 0.006 0.000 0.864 209 D CB -1.442 39.360 40.800 0.003 0.000 0.933 209 D HN 0.323 8.664 8.370 0.005 0.032 0.499 210 D N -2.420 117.986 120.400 0.010 0.000 2.378 210 D HA -0.026 nan 4.640 nan 0.000 0.227 210 D C 0.270 176.581 176.300 0.019 0.000 1.012 210 D CA 0.654 54.662 54.000 0.014 0.000 0.905 210 D CB -0.181 40.627 40.800 0.013 0.000 0.895 210 D HN -0.557 7.657 8.370 0.009 0.161 0.532 211 T N 3.088 117.652 114.554 0.016 0.000 2.902 211 T HA -0.117 nan 4.350 nan 0.000 0.301 211 T C -1.478 173.232 174.700 0.016 0.000 1.012 211 T CA 2.323 64.433 62.100 0.016 0.000 1.151 211 T CB -0.096 68.780 68.868 0.013 0.000 0.946 211 T HN -0.670 7.490 8.240 0.013 0.088 0.542 212 Q N 3.560 123.370 119.800 0.016 0.000 2.501 212 Q HA 0.402 nan 4.340 nan 0.000 0.288 212 Q C -2.272 173.728 176.000 0.000 0.000 1.051 212 Q CA -2.042 53.770 55.803 0.015 0.000 0.788 212 Q CB 3.772 32.528 28.738 0.031 0.000 1.469 212 Q HN 0.041 8.320 8.270 0.015 0.000 0.416 213 L N 1.647 122.867 121.223 -0.004 0.000 2.272 213 L HA 0.543 nan 4.340 nan 0.000 0.289 213 L C -1.290 175.566 176.870 -0.025 0.000 1.032 213 L CA -0.739 54.087 54.840 -0.024 0.000 0.810 213 L CB 0.992 43.037 42.059 -0.024 0.000 1.205 213 L HN 0.282 8.514 8.230 0.004 0.000 0.422 214 I N 6.365 126.903 120.570 -0.055 0.000 2.377 214 I HA 0.148 nan 4.170 nan 0.000 0.293 214 I C -1.220 174.856 176.117 -0.067 0.000 0.987 214 I CA -2.636 58.631 61.300 -0.054 0.000 1.185 214 I CB 1.004 38.922 38.000 -0.137 0.000 1.341 214 I HN 1.028 9.075 8.210 -0.078 0.116 0.455 215 N N 8.236 126.914 118.700 -0.036 0.000 2.549 215 N HA 0.024 nan 4.740 nan 0.000 0.267 215 N C -1.246 174.236 175.510 -0.045 0.000 1.182 215 N CA 0.729 53.754 53.050 -0.042 0.000 1.019 215 N CB -0.380 38.094 38.487 -0.023 0.000 1.380 215 N HN 0.588 8.962 8.380 -0.011 0.000 0.505 216 G N 0.236 108.991 108.800 -0.074 0.000 2.333 216 G HA2 0.163 nan 3.960 nan 0.000 0.288 216 G HA3 0.163 nan 3.960 nan 0.000 0.288 216 G C -2.870 171.962 174.900 -0.113 0.000 1.286 216 G CA 0.253 45.308 45.100 -0.075 0.000 0.865 216 G HN -0.346 7.874 8.290 -0.090 0.016 0.506 217 I N 0.558 121.062 120.570 -0.109 0.000 2.382 217 I HA 0.529 nan 4.170 nan 0.000 0.286 217 I C -1.218 174.798 176.117 -0.168 0.000 1.002 217 I CA -2.402 58.827 61.300 -0.119 0.000 1.135 217 I CB 1.214 39.176 38.000 -0.064 0.000 1.288 217 I HN 0.357 8.518 8.210 -0.081 0.000 0.448 218 I N 7.764 128.180 120.570 -0.257 0.000 2.396 218 I HA 0.427 nan 4.170 nan 0.000 0.292 218 I C -0.778 175.271 176.117 -0.113 0.000 0.999 218 I CA -0.351 60.747 61.300 -0.337 0.000 1.310 218 I CB 0.814 38.486 38.000 -0.547 0.000 1.404 218 I HN -0.184 7.883 8.210 -0.238 0.000 0.496 219 V N 7.942 127.856 119.914 0.000 0.000 2.444 219 V HA 0.175 nan 4.120 nan 0.000 0.294 219 V C -1.614 174.544 176.094 0.107 0.000 1.022 219 V CA -1.524 60.807 62.300 0.051 0.000 0.850 219 V CB 3.008 34.874 31.823 0.072 0.000 0.992 219 V HN 1.032 9.147 8.190 0.055 0.108 0.426 220 D N 7.930 128.381 120.400 0.084 0.000 2.545 220 D HA 0.098 nan 4.640 nan 0.000 0.227 220 D C -1.117 175.246 176.300 0.105 0.000 1.150 220 D CA -0.223 53.839 54.000 0.104 0.000 1.046 220 D CB -1.180 39.662 40.800 0.071 0.000 1.098 220 D HN 0.258 8.661 8.370 0.056 0.000 0.502 221 K N 2.666 123.148 120.400 0.137 0.000 2.607 221 K HA 0.305 nan 4.320 nan 0.000 0.287 221 K C -2.573 174.120 176.600 0.155 0.000 0.996 221 K CA -1.424 54.937 56.287 0.123 0.000 0.876 221 K CB 3.772 36.338 32.500 0.109 0.000 1.496 221 K HN -0.181 8.143 8.250 0.173 0.030 0.415 222 E N -1.609 118.655 120.200 0.107 0.000 2.378 222 E HA 0.497 nan 4.350 nan 0.000 0.265 222 E C -0.864 175.702 176.600 -0.056 0.000 0.932 222 E CA -2.551 53.893 56.400 0.073 0.000 0.795 222 E CB 2.949 32.687 29.700 0.064 0.000 1.296 222 E HN 0.034 8.440 8.360 0.076 0.000 0.438 223 K N -2.506 117.742 120.400 -0.253 0.000 2.527 223 K HA -0.251 nan 4.320 nan 0.000 0.278 223 K C 0.086 176.556 176.600 -0.215 0.000 0.981 223 K CA 0.925 56.933 56.287 -0.464 0.000 1.009 223 K CB 0.273 32.319 32.500 -0.756 0.000 0.895 223 K HN -0.381 7.969 8.250 -0.235 -0.240 0.493 224 V N 2.107 121.933 119.914 -0.147 0.000 2.626 224 V HA -0.220 nan 4.120 nan 0.000 0.252 224 V C -0.621 175.478 176.094 0.009 0.000 1.067 224 V CA 1.688 63.960 62.300 -0.047 0.000 1.081 224 V CB 0.421 32.236 31.823 -0.015 0.000 0.686 224 V HN 0.745 8.719 8.190 -0.184 0.105 0.468 225 H N -2.103 116.890 119.070 -0.129 0.000 2.717 225 H HA 0.376 nan 4.556 nan 0.000 0.366 225 H C -1.948 173.310 175.328 -0.117 0.000 1.132 225 H CA -2.577 53.413 56.048 -0.096 0.000 1.180 225 H CB 2.778 32.499 29.762 -0.068 0.000 1.678 225 H HN -0.716 7.512 8.280 -0.021 0.039 0.537 226 P HA -0.135 nan 4.420 nan 0.000 0.219 226 P C -0.300 176.885 177.300 -0.191 0.000 1.146 226 P CA 1.489 64.393 63.100 -0.327 0.000 0.808 226 P CB 0.314 31.799 31.700 -0.358 0.000 0.779 227 G N -4.768 103.983 108.800 -0.081 0.000 3.088 227 G HA2 -0.039 nan 3.960 nan 0.000 0.212 227 G HA3 -0.039 nan 3.960 nan 0.000 0.212 227 G C -0.400 174.587 174.900 0.145 0.000 1.173 227 G CA -0.742 44.448 45.100 0.150 0.000 0.779 227 G HN -0.342 7.661 8.290 -0.412 0.040 0.540 228 M N 1.833 121.491 119.600 0.096 0.000 2.247 228 M HA 0.153 nan 4.480 nan 0.000 0.326 228 M C -1.551 174.754 176.300 0.009 0.000 1.134 228 M CA -1.381 53.929 55.300 0.017 0.000 1.136 228 M CB 0.296 32.840 32.600 -0.092 0.000 1.454 228 M HN -0.484 7.779 8.290 0.067 0.067 0.467 229 P HA -0.053 nan 4.420 nan 0.000 0.272 229 P C -1.689 175.723 177.300 0.187 0.000 1.223 229 P CA 0.004 63.170 63.100 0.111 0.000 0.784 229 P CB 0.368 32.144 31.700 0.127 0.000 0.923 230 D N -1.901 118.575 120.400 0.127 0.000 2.348 230 D HA -0.059 nan 4.640 nan 0.000 0.211 230 D C -0.720 175.673 176.300 0.155 0.000 0.998 230 D CA 1.872 55.962 54.000 0.150 0.000 0.873 230 D CB 0.846 41.682 40.800 0.060 0.000 0.925 230 D HN 0.144 8.561 8.370 0.078 0.000 0.524 231 V N -2.902 117.076 119.914 0.106 0.000 3.000 231 V HA 0.482 nan 4.120 nan 0.000 0.300 231 V C -2.017 174.085 176.094 0.014 0.000 1.251 231 V CA -1.289 61.026 62.300 0.024 0.000 0.972 231 V CB 3.565 35.394 31.823 0.010 0.000 1.065 231 V HN -0.892 7.323 8.190 0.113 0.043 0.431 232 V N 5.507 125.397 119.914 -0.039 0.000 2.524 232 V HA 0.606 nan 4.120 nan 0.000 0.297 232 V C -2.154 173.920 176.094 -0.033 0.000 1.035 232 V CA -1.592 60.694 62.300 -0.023 0.000 0.867 232 V CB 3.395 35.207 31.823 -0.019 0.000 1.004 232 V HN 0.983 9.119 8.190 -0.091 0.000 0.426 233 K N 6.468 126.860 120.400 -0.014 0.000 2.154 233 K HA 0.273 nan 4.320 nan 0.000 0.264 233 K C -0.317 176.276 176.600 -0.011 0.000 1.008 233 K CA -0.453 55.826 56.287 -0.012 0.000 0.937 233 K CB 0.416 32.913 32.500 -0.004 0.000 1.002 233 K HN 0.341 8.588 8.250 -0.005 0.000 0.469 234 D N -1.167 119.226 120.400 -0.011 0.000 3.142 234 D HA -0.394 nan 4.640 nan 0.000 0.221 234 D C -1.051 175.243 176.300 -0.011 0.000 1.193 234 D CA 1.484 55.479 54.000 -0.009 0.000 0.900 234 D CB -1.762 39.035 40.800 -0.004 0.000 0.886 234 D HN 0.299 8.588 8.370 -0.010 0.076 0.399 235 A N -0.495 122.314 122.820 -0.018 0.000 2.331 235 A HA 0.188 nan 4.320 nan 0.000 0.283 235 A C -1.442 176.135 177.584 -0.011 0.000 1.142 235 A CA -0.475 51.550 52.037 -0.021 0.000 0.812 235 A CB 1.899 20.874 19.000 -0.043 0.000 1.074 235 A HN 0.191 8.329 8.150 -0.020 0.000 0.497 236 K N 3.052 123.449 120.400 -0.004 0.000 2.404 236 K HA 0.439 nan 4.320 nan 0.000 0.257 236 K C -1.416 175.188 176.600 0.006 0.000 1.026 236 K CA -1.441 54.846 56.287 0.001 0.000 0.951 236 K CB 0.959 33.462 32.500 0.004 0.000 1.203 236 K HN 0.309 8.558 8.250 -0.002 0.000 0.446 237 I N 4.914 125.487 120.570 0.005 0.000 2.325 237 I HA 0.269 nan 4.170 nan 0.000 0.291 237 I C -1.393 174.735 176.117 0.018 0.000 1.019 237 I CA -0.827 60.480 61.300 0.012 0.000 1.302 237 I CB 0.874 38.878 38.000 0.006 0.000 1.401 237 I HN 0.765 8.862 8.210 0.002 0.114 0.485 238 A N 9.187 132.023 122.820 0.027 0.000 2.260 238 A HA 0.548 nan 4.320 nan 0.000 0.308 238 A C -2.261 175.343 177.584 0.032 0.000 1.254 238 A CA -1.324 50.729 52.037 0.027 0.000 0.874 238 A CB 1.365 20.383 19.000 0.029 0.000 1.153 238 A HN 0.907 8.961 8.150 0.033 0.116 0.527 239 L N 4.876 126.116 121.223 0.028 0.000 2.276 239 L HA 0.770 nan 4.340 nan 0.000 0.286 239 L C -1.677 175.210 176.870 0.028 0.000 1.024 239 L CA -1.022 53.836 54.840 0.030 0.000 0.826 239 L CB 1.125 43.199 42.059 0.025 0.000 1.211 239 L HN 0.483 8.727 8.230 0.023 0.000 0.422 240 L N 3.512 124.754 121.223 0.031 0.000 2.313 240 L HA 0.649 nan 4.340 nan 0.000 0.268 240 L C -0.815 176.071 176.870 0.028 0.000 1.010 240 L CA -0.860 53.997 54.840 0.029 0.000 0.814 240 L CB 1.981 44.058 42.059 0.030 0.000 1.304 240 L HN 0.766 9.017 8.230 0.036 0.000 0.441 241 D N -0.275 120.140 120.400 0.026 0.000 2.539 241 D HA 0.123 nan 4.640 nan 0.000 0.232 241 D C -1.435 174.879 176.300 0.024 0.000 1.256 241 D CA -0.783 53.232 54.000 0.025 0.000 0.810 241 D CB 1.692 42.506 40.800 0.023 0.000 1.090 241 D HN 0.638 9.022 8.370 0.024 0.000 0.519 242 A N -1.087 121.747 122.820 0.025 0.000 2.354 242 A HA 0.558 nan 4.320 nan 0.000 0.321 242 A C -2.864 174.735 177.584 0.026 0.000 1.125 242 A CA -3.102 48.950 52.037 0.024 0.000 0.799 242 A CB 1.306 20.320 19.000 0.024 0.000 1.293 242 A HN -0.495 7.613 8.150 0.026 0.057 0.452 243 P HA 0.401 nan 4.420 nan 0.000 0.281 243 P C -1.244 176.074 177.300 0.029 0.000 1.249 243 P CA -0.886 62.230 63.100 0.026 0.000 0.810 243 P CB 0.860 32.575 31.700 0.024 0.000 1.008 244 L N 2.853 124.095 121.223 0.031 0.000 2.389 244 L HA 0.216 nan 4.340 nan 0.000 0.265 244 L C -1.279 175.614 176.870 0.039 0.000 1.167 244 L CA -0.657 54.206 54.840 0.037 0.000 1.045 244 L CB -2.569 39.515 42.059 0.040 0.000 1.351 244 L HN 0.557 8.804 8.230 0.029 0.000 0.419 245 E N 0.935 121.158 120.200 0.038 0.000 2.458 245 E HA 0.199 nan 4.350 nan 0.000 0.278 245 E C -1.528 175.096 176.600 0.041 0.000 1.004 245 E CA -1.475 54.948 56.400 0.038 0.000 0.823 245 E CB 3.966 33.684 29.700 0.030 0.000 1.396 245 E HN -0.653 7.729 8.360 0.036 0.000 0.463 246 I N -2.258 118.337 120.570 0.042 0.000 2.634 246 I HA -0.009 nan 4.170 nan 0.000 0.284 246 I C -0.125 176.013 176.117 0.036 0.000 1.124 246 I CA -0.211 61.115 61.300 0.043 0.000 1.417 246 I CB 0.191 38.218 38.000 0.044 0.000 1.396 246 I HN 0.185 8.419 8.210 0.039 0.000 0.571 247 K N 6.515 126.936 120.400 0.036 0.000 2.234 247 K HA 0.072 nan 4.320 nan 0.000 0.277 247 K C -0.657 175.964 176.600 0.035 0.000 1.038 247 K CA -0.821 55.486 56.287 0.034 0.000 0.888 247 K CB 0.505 33.025 32.500 0.034 0.000 1.091 247 K HN 0.285 8.558 8.250 0.039 0.000 0.467 248 K N 5.423 125.843 120.400 0.032 0.000 2.183 248 K HA 0.343 nan 4.320 nan 0.000 0.274 248 K C -2.111 174.515 176.600 0.043 0.000 1.009 248 K CA -2.112 54.195 56.287 0.033 0.000 0.888 248 K CB 0.393 32.907 32.500 0.024 0.000 1.078 248 K HN 0.201 8.469 8.250 0.030 0.000 0.459 249 P HA -0.001 nan 4.420 nan 0.000 0.270 249 P C -1.138 176.218 177.300 0.092 0.000 1.221 249 P CA -0.116 63.031 63.100 0.078 0.000 0.788 249 P CB 0.864 32.616 31.700 0.086 0.000 0.904 250 E N -0.526 119.754 120.200 0.133 0.000 2.112 250 E HA -0.114 nan 4.350 nan 0.000 0.190 250 E C -0.002 176.659 176.600 0.102 0.000 0.979 250 E CA 1.229 57.695 56.400 0.111 0.000 0.814 250 E CB 0.167 29.946 29.700 0.132 0.000 0.762 250 E HN 0.305 8.757 8.360 0.154 0.000 0.460 251 F N -1.027 118.925 119.950 0.003 0.000 2.410 251 F HA -0.003 nan 4.527 nan 0.000 0.334 251 F C -0.411 175.388 175.800 -0.001 0.000 1.134 251 F CA -0.016 57.985 58.000 0.002 0.000 1.227 251 F CB 0.814 39.816 39.000 0.003 0.000 1.194 251 F HN -0.487 8.089 8.300 0.460 0.000 0.571 252 D N 1.315 121.783 120.400 0.114 0.000 2.487 252 D HA -0.087 nan 4.640 nan 0.000 0.243 252 D C -0.485 175.868 176.300 0.088 0.000 1.154 252 D CA 1.173 55.213 54.000 0.066 0.000 0.876 252 D CB 0.579 41.397 40.800 0.030 0.000 1.161 252 D HN -0.030 8.375 8.370 0.059 0.000 0.478 253 T N 3.602 118.187 114.554 0.052 0.000 2.861 253 T HA 0.210 nan 4.350 nan 0.000 0.287 253 T C -0.977 173.721 174.700 -0.003 0.000 1.003 253 T CA -0.477 61.643 62.100 0.034 0.000 0.977 253 T CB 2.195 71.084 68.868 0.035 0.000 0.996 253 T HN -0.014 8.249 8.240 0.037 0.000 0.448 254 N N 3.737 122.426 118.700 -0.018 0.000 2.310 254 N HA 0.205 nan 4.740 nan 0.000 0.292 254 N C -1.429 174.026 175.510 -0.092 0.000 1.049 254 N CA 0.197 53.216 53.050 -0.052 0.000 0.849 254 N CB 2.535 41.002 38.487 -0.034 0.000 1.532 254 N HN 0.132 8.510 8.380 -0.005 0.000 0.479 255 L N 1.925 123.040 121.223 -0.181 0.000 2.331 255 L HA 0.062 nan 4.340 nan 0.000 0.278 255 L C 0.228 176.975 176.870 -0.206 0.000 1.106 255 L CA -0.308 54.336 54.840 -0.327 0.000 0.824 255 L CB 0.647 42.300 42.059 -0.678 0.000 1.142 255 L HN 0.192 8.315 8.230 -0.179 0.000 0.443 256 R N 4.823 125.257 120.500 -0.110 0.000 2.272 256 R HA 0.222 nan 4.340 nan 0.000 0.323 256 R C -0.890 175.430 176.300 0.033 0.000 1.002 256 R CA -0.400 55.684 56.100 -0.027 0.000 0.900 256 R CB 0.266 30.573 30.300 0.012 0.000 1.151 256 R HN 0.238 8.464 8.270 -0.075 0.000 0.507 257 I N 6.465 127.047 120.570 0.020 0.000 2.304 257 I HA 0.136 nan 4.170 nan 0.000 0.291 257 I C 0.104 176.260 176.117 0.064 0.000 1.018 257 I CA 0.161 61.515 61.300 0.090 0.000 1.260 257 I CB 0.684 38.735 38.000 0.086 0.000 1.390 257 I HN 0.545 8.743 8.210 -0.021 0.000 0.475 258 E N 6.004 126.248 120.200 0.074 0.000 2.485 258 E HA 0.013 nan 4.350 nan 0.000 0.213 258 E C -0.900 175.727 176.600 0.045 0.000 0.923 258 E CA 0.114 56.543 56.400 0.048 0.000 1.054 258 E CB 0.891 30.616 29.700 0.042 0.000 1.077 258 E HN 0.566 8.985 8.360 0.099 0.000 0.509 259 D N 0.250 120.685 120.400 0.058 0.000 2.408 259 D HA 0.394 nan 4.640 nan 0.000 0.243 259 D C -0.466 175.865 176.300 0.052 0.000 1.075 259 D CA -3.529 50.498 54.000 0.044 0.000 0.832 259 D CB 1.155 41.976 40.800 0.036 0.000 1.162 259 D HN -0.632 7.786 8.370 0.081 0.000 0.515 260 P HA -0.193 nan 4.420 nan 0.000 0.218 260 P C 1.189 178.515 177.300 0.042 0.000 1.146 260 P CA 1.709 64.833 63.100 0.040 0.000 0.813 260 P CB 0.331 32.047 31.700 0.027 0.000 0.778 261 S N -1.034 114.684 115.700 0.029 0.000 2.447 261 S HA -0.176 nan 4.470 nan 0.000 0.233 261 S C 1.712 176.319 174.600 0.012 0.000 1.006 261 S CA 2.468 60.678 58.200 0.016 0.000 0.957 261 S CB -0.093 63.108 63.200 0.001 0.000 0.773 261 S HN -0.296 8.308 8.310 0.025 -0.279 0.507 262 M N 0.588 120.208 119.600 0.033 0.000 2.394 262 M HA -0.191 nan 4.480 nan 0.000 0.264 262 M C 1.687 178.070 176.300 0.138 0.000 1.073 262 M CA 1.154 56.463 55.300 0.014 0.000 1.111 262 M CB -0.697 31.960 32.600 0.095 0.000 1.401 262 M HN -0.197 7.981 8.290 0.053 0.144 0.448 263 I N -0.664 120.006 120.570 0.167 0.000 2.248 263 I HA -0.599 nan 4.170 nan 0.000 0.248 263 I C 1.680 177.883 176.117 0.143 0.000 1.107 263 I CA 4.054 65.466 61.300 0.186 0.000 1.373 263 I CB -0.688 37.377 38.000 0.108 0.000 1.055 263 I HN -0.555 7.699 8.210 0.122 0.030 0.418 264 Q N -1.372 118.472 119.800 0.074 0.000 2.049 264 Q HA -0.315 nan 4.340 nan 0.000 0.198 264 Q C 2.354 178.368 176.000 0.025 0.000 0.971 264 Q CA 3.259 59.089 55.803 0.045 0.000 0.833 264 Q CB -0.168 28.582 28.738 0.020 0.000 0.896 264 Q HN -0.477 7.814 8.270 0.058 0.014 0.434 265 K N -0.087 120.289 120.400 -0.040 0.000 2.152 265 K HA -0.331 nan 4.320 nan 0.000 0.206 265 K C 2.820 179.341 176.600 -0.131 0.000 1.048 265 K CA 3.160 59.370 56.287 -0.128 0.000 0.933 265 K CB -0.251 32.105 32.500 -0.240 0.000 0.721 265 K HN -0.799 7.425 8.250 -0.043 0.000 0.447 266 F N -0.400 119.557 119.950 0.012 0.000 2.074 266 F HA -0.272 nan 4.527 nan 0.000 0.293 266 F C 1.960 177.771 175.800 0.017 0.000 1.116 266 F CA 3.689 61.697 58.000 0.013 0.000 1.212 266 F CB -0.138 38.869 39.000 0.012 0.000 0.998 266 F HN 0.095 8.415 8.300 0.055 0.013 0.471 267 L N -1.830 119.519 121.223 0.210 0.000 2.127 267 L HA -0.515 nan 4.340 nan 0.000 0.211 267 L C 1.913 178.842 176.870 0.099 0.000 1.089 267 L CA 3.419 58.336 54.840 0.128 0.000 0.757 267 L CB -0.648 41.466 42.059 0.093 0.000 0.899 267 L HN -0.632 7.729 8.230 0.218 0.000 0.434 268 A N -1.333 121.532 122.820 0.076 0.000 1.877 268 A HA -0.413 nan 4.320 nan 0.000 0.216 268 A C 2.199 179.815 177.584 0.054 0.000 1.186 268 A CA 3.354 55.422 52.037 0.052 0.000 0.620 268 A CB -0.969 18.042 19.000 0.019 0.000 0.822 268 A HN -0.008 8.178 8.150 0.072 0.008 0.443 269 Q N -2.069 117.764 119.800 0.055 0.000 2.181 269 Q HA -0.340 nan 4.340 nan 0.000 0.205 269 Q C 3.045 179.093 176.000 0.080 0.000 0.980 269 Q CA 2.677 58.515 55.803 0.059 0.000 0.862 269 Q CB -0.588 28.194 28.738 0.072 0.000 0.905 269 Q HN -0.310 7.921 8.270 0.051 0.069 0.429 270 E N 0.143 120.404 120.200 0.102 0.000 2.028 270 E HA -0.311 nan 4.350 nan 0.000 0.190 270 E C 2.308 178.967 176.600 0.099 0.000 0.984 270 E CA 3.044 59.501 56.400 0.095 0.000 0.800 270 E CB -0.140 29.616 29.700 0.093 0.000 0.758 270 E HN -0.429 7.894 8.360 0.118 0.108 0.448 271 E N -0.492 119.775 120.200 0.113 0.000 2.160 271 E HA -0.368 nan 4.350 nan 0.000 0.195 271 E C 2.598 179.278 176.600 0.134 0.000 0.991 271 E CA 3.021 59.523 56.400 0.169 0.000 0.810 271 E CB -0.321 29.490 29.700 0.185 0.000 0.742 271 E HN -0.322 8.100 8.360 0.103 0.000 0.466 272 N N -0.394 118.344 118.700 0.063 0.000 2.244 272 N HA -0.227 nan 4.740 nan 0.000 0.183 272 N C 2.016 177.527 175.510 0.001 0.000 1.016 272 N CA 3.458 56.510 53.050 0.002 0.000 0.866 272 N CB -0.038 38.448 38.487 -0.002 0.000 0.980 272 N HN 0.282 8.698 8.380 0.067 0.004 0.430 273 M N 0.223 119.845 119.600 0.037 0.000 2.117 273 M HA -0.413 nan 4.480 nan 0.000 0.262 273 M C 1.680 178.005 176.300 0.042 0.000 1.065 273 M CA 4.178 59.499 55.300 0.035 0.000 1.114 273 M CB -0.002 32.628 32.600 0.049 0.000 1.361 273 M HN -0.471 7.733 8.290 0.055 0.119 0.408 274 L N -1.645 119.630 121.223 0.087 0.000 2.072 274 L HA -0.385 nan 4.340 nan 0.000 0.205 274 L C 1.830 178.752 176.870 0.087 0.000 1.079 274 L CA 2.979 57.903 54.840 0.139 0.000 0.752 274 L CB -0.550 41.659 42.059 0.250 0.000 0.906 274 L HN -0.499 7.795 8.230 0.106 0.000 0.436 275 R N -0.813 119.635 120.500 -0.086 0.000 2.105 275 R HA -0.449 nan 4.340 nan 0.000 0.239 275 R C 2.087 178.255 176.300 -0.221 0.000 1.135 275 R CA 3.693 59.507 56.100 -0.477 0.000 0.967 275 R CB -0.302 29.617 30.300 -0.635 0.000 0.861 275 R HN 0.230 8.497 8.270 -0.006 0.000 0.442 276 E N -0.507 119.626 120.200 -0.112 0.000 2.047 276 E HA -0.355 nan 4.350 nan 0.000 0.191 276 E C 2.356 178.934 176.600 -0.037 0.000 0.987 276 E CA 2.952 59.312 56.400 -0.067 0.000 0.799 276 E CB -0.259 29.419 29.700 -0.037 0.000 0.752 276 E HN -0.204 8.101 8.360 -0.087 0.003 0.449 277 M N -0.247 119.348 119.600 -0.010 0.000 2.106 277 M HA -0.450 nan 4.480 nan 0.000 0.259 277 M C 2.325 178.629 176.300 0.007 0.000 1.068 277 M CA 4.339 59.645 55.300 0.010 0.000 1.100 277 M CB 0.047 32.667 32.600 0.033 0.000 1.351 277 M HN -0.419 7.870 8.290 -0.002 0.000 0.404 278 V N -1.119 118.797 119.914 0.004 0.000 2.358 278 V HA -0.512 nan 4.120 nan 0.000 0.246 278 V C 1.761 177.841 176.094 -0.023 0.000 1.047 278 V CA 4.386 66.689 62.300 0.004 0.000 1.035 278 V CB -1.210 30.626 31.823 0.021 0.000 0.658 278 V HN -0.300 7.892 8.190 0.004 0.001 0.452 279 D N -0.172 120.198 120.400 -0.051 0.000 2.123 279 D HA -0.312 nan 4.640 nan 0.000 0.196 279 D C 2.229 178.513 176.300 -0.027 0.000 0.992 279 D CA 3.423 57.394 54.000 -0.049 0.000 0.833 279 D CB -0.748 40.013 40.800 -0.065 0.000 0.954 279 D HN -0.117 8.136 8.370 -0.073 0.073 0.455 280 K N 0.287 120.676 120.400 -0.019 0.000 2.002 280 K HA -0.251 nan 4.320 nan 0.000 0.209 280 K C 2.237 178.835 176.600 -0.003 0.000 1.048 280 K CA 2.791 59.073 56.287 -0.009 0.000 0.930 280 K CB -0.277 32.221 32.500 -0.004 0.000 0.714 280 K HN -0.128 8.109 8.250 -0.021 0.000 0.438 281 I N -0.937 119.635 120.570 0.002 0.000 2.194 281 I HA -0.617 nan 4.170 nan 0.000 0.246 281 I C 1.587 177.707 176.117 0.006 0.000 1.093 281 I CA 4.187 65.492 61.300 0.008 0.000 1.355 281 I CB -0.036 37.973 38.000 0.016 0.000 1.046 281 I HN -0.603 7.608 8.210 0.003 0.000 0.413 282 K N -1.221 119.179 120.400 0.000 0.000 2.155 282 K HA -0.283 nan 4.320 nan 0.000 0.203 282 K C 2.802 179.399 176.600 -0.005 0.000 1.052 282 K CA 3.148 59.433 56.287 -0.002 0.000 0.948 282 K CB -0.128 32.366 32.500 -0.010 0.000 0.728 282 K HN 0.006 8.251 8.250 -0.003 0.003 0.448 283 S N -0.432 115.263 115.700 -0.008 0.000 2.423 283 S HA -0.162 nan 4.470 nan 0.000 0.231 283 S C 1.212 175.810 174.600 -0.004 0.000 1.014 283 S CA 2.763 60.958 58.200 -0.009 0.000 0.965 283 S CB 0.168 63.361 63.200 -0.011 0.000 0.785 283 S HN 0.088 8.190 8.310 -0.010 0.203 0.495 284 V N -0.436 119.477 119.914 -0.001 0.000 3.646 284 V HA 0.087 nan 4.120 nan 0.000 0.277 284 V C -0.382 175.713 176.094 0.002 0.000 1.274 284 V CA -0.950 61.351 62.300 0.001 0.000 1.164 284 V CB -1.174 30.651 31.823 0.003 0.000 0.926 284 V HN -0.506 7.663 8.190 -0.001 0.021 0.442 285 G N -1.515 107.287 108.800 0.002 0.000 2.194 285 G HA2 -0.266 nan 3.960 nan 0.000 0.236 285 G HA3 -0.266 nan 3.960 nan 0.000 0.236 285 G C -0.580 174.324 174.900 0.007 0.000 0.987 285 G CA -0.184 44.918 45.100 0.004 0.000 0.635 285 G HN -0.394 7.705 8.290 0.001 0.191 0.520 286 A N -0.612 122.213 122.820 0.010 0.000 2.587 286 A HA -0.215 nan 4.320 nan 0.000 0.233 286 A C -0.915 176.681 177.584 0.019 0.000 1.049 286 A CA 0.870 52.917 52.037 0.016 0.000 0.754 286 A CB 0.324 19.336 19.000 0.019 0.000 0.977 286 A HN -0.641 7.459 8.150 0.008 0.055 0.509 287 N N 3.047 121.762 118.700 0.024 0.000 2.419 287 N HA 0.234 nan 4.740 nan 0.000 0.216 287 N C -1.263 174.279 175.510 0.053 0.000 1.118 287 N CA 0.575 53.643 53.050 0.030 0.000 0.850 287 N CB 3.013 41.508 38.487 0.015 0.000 1.292 287 N HN 0.507 8.807 8.380 0.022 0.094 0.467 288 V N -1.354 118.590 119.914 0.050 0.000 2.823 288 V HA 0.658 nan 4.120 nan 0.000 0.312 288 V C -1.661 174.481 176.094 0.080 0.000 1.072 288 V CA -0.932 61.419 62.300 0.084 0.000 0.937 288 V CB 3.666 35.509 31.823 0.033 0.000 1.013 288 V HN -0.437 7.773 8.190 0.034 0.000 0.430 289 V N 5.121 125.100 119.914 0.109 0.000 2.482 289 V HA 0.707 nan 4.120 nan 0.000 0.295 289 V C -1.677 174.474 176.094 0.095 0.000 1.026 289 V CA -0.516 61.832 62.300 0.080 0.000 0.856 289 V CB 2.179 34.041 31.823 0.065 0.000 1.001 289 V HN 0.362 8.648 8.190 0.161 0.000 0.424 290 I N 8.141 128.757 120.570 0.077 0.000 2.410 290 I HA 0.613 nan 4.170 nan 0.000 0.286 290 I C -2.126 174.025 176.117 0.057 0.000 1.009 290 I CA -1.254 60.093 61.300 0.079 0.000 1.111 290 I CB 2.399 40.446 38.000 0.077 0.000 1.262 290 I HN 0.996 9.243 8.210 0.062 0.000 0.443 291 T N 6.876 121.462 114.554 0.053 0.000 2.912 291 T HA 0.566 nan 4.350 nan 0.000 0.288 291 T C 0.002 174.726 174.700 0.039 0.000 1.030 291 T CA -2.296 59.829 62.100 0.042 0.000 1.020 291 T CB 2.689 71.580 68.868 0.038 0.000 1.056 291 T HN 0.307 8.582 8.240 0.059 0.000 0.480 292 Q N 5.448 125.268 119.800 0.034 0.000 2.269 292 Q HA -0.028 nan 4.340 nan 0.000 0.201 292 Q C 0.584 176.601 176.000 0.028 0.000 0.946 292 Q CA 2.139 57.961 55.803 0.031 0.000 0.877 292 Q CB 0.886 29.641 28.738 0.028 0.000 0.963 292 Q HN 0.171 8.460 8.270 0.032 0.000 0.472 293 K N -2.603 117.814 120.400 0.027 0.000 2.727 293 K HA 0.185 nan 4.320 nan 0.000 0.299 293 K C -0.820 175.795 176.600 0.025 0.000 0.996 293 K CA -1.258 55.044 56.287 0.025 0.000 1.212 293 K CB 2.015 34.530 32.500 0.023 0.000 1.529 293 K HN -0.378 7.852 8.250 0.029 0.037 0.646 294 G N -3.128 105.686 108.800 0.023 0.000 2.488 294 G HA2 0.332 nan 3.960 nan 0.000 0.318 294 G HA3 0.332 nan 3.960 nan 0.000 0.318 294 G C -2.271 172.643 174.900 0.023 0.000 1.188 294 G CA -1.700 43.413 45.100 0.021 0.000 0.944 294 G HN 0.087 8.391 8.290 0.022 0.000 0.495 295 I N -1.013 119.570 120.570 0.020 0.000 2.439 295 I HA 0.286 nan 4.170 nan 0.000 0.285 295 I C -1.167 174.958 176.117 0.014 0.000 1.021 295 I CA -1.374 59.938 61.300 0.020 0.000 1.091 295 I CB 2.569 40.580 38.000 0.018 0.000 1.242 295 I HN 0.142 8.363 8.210 0.018 0.000 0.439 296 D N 7.443 127.853 120.400 0.015 0.000 2.472 296 D HA -0.222 nan 4.640 nan 0.000 0.237 296 D C 0.514 176.807 176.300 -0.011 0.000 1.141 296 D CA 1.555 55.559 54.000 0.007 0.000 0.875 296 D CB 2.452 43.262 40.800 0.017 0.000 1.192 296 D HN 0.081 8.465 8.370 0.023 0.000 0.450 297 D N 6.452 126.842 120.400 -0.017 0.000 2.158 297 D HA -0.322 nan 4.640 nan 0.000 0.197 297 D C 1.719 177.971 176.300 -0.080 0.000 0.995 297 D CA 3.607 57.590 54.000 -0.029 0.000 0.846 297 D CB -0.119 40.667 40.800 -0.024 0.000 0.941 297 D HN 0.508 8.872 8.370 -0.010 0.000 0.456 298 M N -1.484 118.047 119.600 -0.114 0.000 2.254 298 M HA -0.161 nan 4.480 nan 0.000 0.265 298 M C 1.104 177.180 176.300 -0.372 0.000 1.066 298 M CA 2.224 57.365 55.300 -0.266 0.000 1.123 298 M CB -0.329 32.154 32.600 -0.195 0.000 1.388 298 M HN -0.556 7.922 8.290 -0.070 -0.230 0.425 299 A N -0.594 122.159 122.820 -0.111 0.000 1.929 299 A HA -0.295 nan 4.320 nan 0.000 0.216 299 A C 2.041 179.594 177.584 -0.052 0.000 1.176 299 A CA 3.087 55.132 52.037 0.013 0.000 0.628 299 A CB -0.991 18.042 19.000 0.055 0.000 0.816 299 A HN -0.254 7.738 8.150 -0.057 0.123 0.444 300 Q N -1.956 117.794 119.800 -0.083 0.000 2.124 300 Q HA -0.415 nan 4.340 nan 0.000 0.202 300 Q C 2.414 178.250 176.000 -0.273 0.000 0.977 300 Q CA 3.321 59.056 55.803 -0.113 0.000 0.850 300 Q CB -0.036 28.679 28.738 -0.039 0.000 0.901 300 Q HN 0.446 8.492 8.270 -0.065 0.185 0.429 301 H N 1.838 120.671 119.070 -0.396 0.000 2.293 301 H HA -0.299 nan 4.556 nan 0.000 0.300 301 H C 2.033 177.186 175.328 -0.292 0.000 1.082 301 H CA 3.745 59.514 56.048 -0.465 0.000 1.308 301 H CB -0.042 29.440 29.762 -0.467 0.000 1.375 301 H HN -0.461 7.618 8.280 -0.173 0.097 0.495 302 Y N -1.560 118.574 120.300 -0.277 0.000 2.128 302 Y HA -0.381 nan 4.550 nan 0.000 0.284 302 Y C 2.743 178.501 175.900 -0.236 0.000 1.154 302 Y CA 2.826 60.749 58.100 -0.295 0.000 1.149 302 Y CB -0.875 37.511 38.460 -0.123 0.000 0.976 302 Y HN -0.197 7.779 8.280 -0.507 0.000 0.505 303 L N -2.338 118.873 121.223 -0.020 0.000 2.012 303 L HA -0.537 nan 4.340 nan 0.000 0.210 303 L C 2.383 179.203 176.870 -0.084 0.000 1.073 303 L CA 3.307 58.126 54.840 -0.035 0.000 0.748 303 L CB -0.689 41.354 42.059 -0.025 0.000 0.891 303 L HN 0.301 8.525 8.230 -0.010 0.000 0.431 304 S N -0.477 115.114 115.700 -0.182 0.000 2.359 304 S HA -0.322 nan 4.470 nan 0.000 0.222 304 S C 2.756 177.276 174.600 -0.132 0.000 1.038 304 S CA 3.568 61.659 58.200 -0.182 0.000 1.051 304 S CB -0.353 62.584 63.200 -0.439 0.000 0.944 304 S HN -0.391 7.770 8.310 -0.248 0.000 0.433 305 R N 0.903 121.271 120.500 -0.220 0.000 2.127 305 R HA -0.246 nan 4.340 nan 0.000 0.238 305 R C 1.622 177.875 176.300 -0.078 0.000 1.134 305 R CA 2.117 58.121 56.100 -0.161 0.000 0.975 305 R CB -0.390 29.747 30.300 -0.271 0.000 0.865 305 R HN 0.233 8.291 8.270 -0.353 0.000 0.447 306 A N -3.764 119.017 122.820 -0.064 0.000 2.238 306 A HA 0.083 nan 4.320 nan 0.000 0.208 306 A C 0.102 177.679 177.584 -0.012 0.000 1.177 306 A CA 0.193 52.211 52.037 -0.032 0.000 0.804 306 A CB 0.440 19.425 19.000 -0.025 0.000 0.823 306 A HN -0.176 7.815 8.150 -0.080 0.111 0.482 307 G N -1.541 107.253 108.800 -0.010 0.000 2.225 307 G HA2 -0.405 nan 3.960 nan 0.000 0.264 307 G HA3 -0.405 nan 3.960 nan 0.000 0.264 307 G C -0.670 174.253 174.900 0.038 0.000 1.060 307 G CA 0.208 45.317 45.100 0.016 0.000 0.833 307 G HN -0.104 7.952 8.290 -0.030 0.216 0.498 308 I N -0.493 120.099 120.570 0.036 0.000 2.392 308 I HA 0.051 nan 4.170 nan 0.000 0.295 308 I C -1.413 174.774 176.117 0.116 0.000 0.985 308 I CA -0.924 60.417 61.300 0.069 0.000 1.221 308 I CB 1.409 39.435 38.000 0.044 0.000 1.366 308 I HN -0.256 7.959 8.210 0.009 0.000 0.467 309 Y N 8.685 128.992 120.300 0.012 0.000 2.383 309 Y HA 0.030 nan 4.550 nan 0.000 0.344 309 Y C -2.488 173.426 175.900 0.022 0.000 0.986 309 Y CA -1.417 56.694 58.100 0.019 0.000 1.175 309 Y CB 1.179 39.651 38.460 0.021 0.000 1.152 309 Y HN -0.145 8.274 8.280 0.233 0.000 0.511 310 A N 7.055 129.905 122.820 0.049 0.000 2.365 310 A HA 0.858 nan 4.320 nan 0.000 0.318 310 A C -2.779 174.804 177.584 -0.001 0.000 1.091 310 A CA -2.001 50.081 52.037 0.075 0.000 0.763 310 A CB 3.559 22.578 19.000 0.031 0.000 1.248 310 A HN -0.062 8.000 8.150 -0.147 0.000 0.442 311 V N -0.054 119.912 119.914 0.087 0.000 2.823 311 V HA 0.839 nan 4.120 nan 0.000 0.312 311 V C -2.880 173.250 176.094 0.059 0.000 1.072 311 V CA -2.777 59.565 62.300 0.069 0.000 0.937 311 V CB 3.487 35.401 31.823 0.153 0.000 1.013 311 V HN 0.391 8.655 8.190 0.123 0.000 0.430 312 R N 3.466 123.991 120.500 0.042 0.000 2.930 312 R HA 0.794 nan 4.340 nan 0.000 0.257 312 R C 0.170 176.493 176.300 0.037 0.000 1.107 312 R CA -1.849 54.273 56.100 0.037 0.000 0.999 312 R CB 3.138 33.454 30.300 0.027 0.000 1.209 312 R HN 0.402 8.693 8.270 0.035 0.000 0.486 313 R N -3.657 116.863 120.500 0.033 0.000 3.322 313 R HA -0.502 nan 4.340 nan 0.000 0.253 313 R C -0.698 175.623 176.300 0.035 0.000 0.987 313 R CA 1.212 57.331 56.100 0.031 0.000 0.666 313 R CB -2.705 27.611 30.300 0.027 0.000 1.072 313 R HN 0.340 8.629 8.270 0.031 0.000 0.447 314 V N -1.418 118.520 119.914 0.040 0.000 2.775 314 V HA -0.037 nan 4.120 nan 0.000 0.299 314 V C 0.253 176.368 176.094 0.035 0.000 1.062 314 V CA 0.017 62.342 62.300 0.042 0.000 1.063 314 V CB 0.597 32.449 31.823 0.049 0.000 0.994 314 V HN -0.097 8.109 8.190 0.040 0.008 0.483 315 K N 5.705 126.125 120.400 0.034 0.000 2.448 315 K HA -0.097 nan 4.320 nan 0.000 0.278 315 K C 0.719 177.336 176.600 0.028 0.000 1.009 315 K CA 0.352 56.657 56.287 0.029 0.000 0.995 315 K CB 0.856 33.373 32.500 0.028 0.000 0.917 315 K HN 0.305 8.577 8.250 0.037 0.000 0.481 316 K N 6.307 126.723 120.400 0.026 0.000 2.063 316 K HA -0.330 nan 4.320 nan 0.000 0.208 316 K C 1.972 178.588 176.600 0.027 0.000 1.048 316 K CA 3.214 59.517 56.287 0.026 0.000 0.928 316 K CB -0.815 31.699 32.500 0.024 0.000 0.713 316 K HN 0.616 8.881 8.250 0.025 0.000 0.442 317 S N -3.682 112.035 115.700 0.027 0.000 2.383 317 S HA -0.255 nan 4.470 nan 0.000 0.229 317 S C 1.981 176.598 174.600 0.027 0.000 1.030 317 S CA 3.626 61.843 58.200 0.029 0.000 1.002 317 S CB -1.009 62.209 63.200 0.030 0.000 0.829 317 S HN 0.230 8.556 8.310 0.026 0.000 0.467 318 D N 2.948 123.363 120.400 0.026 0.000 2.178 318 D HA -0.143 nan 4.640 nan 0.000 0.202 318 D C 1.982 178.296 176.300 0.023 0.000 0.974 318 D CA 2.704 56.717 54.000 0.023 0.000 0.841 318 D CB -0.532 40.284 40.800 0.026 0.000 0.953 318 D HN -0.776 7.495 8.370 0.027 0.115 0.478 319 M N 0.426 120.042 119.600 0.026 0.000 2.067 319 M HA -0.366 nan 4.480 nan 0.000 0.260 319 M C 1.371 177.685 176.300 0.023 0.000 1.069 319 M CA 3.253 58.569 55.300 0.026 0.000 1.117 319 M CB -0.109 32.508 32.600 0.027 0.000 1.334 319 M HN -0.046 8.170 8.290 0.028 0.091 0.407 320 D N -1.052 119.363 120.400 0.024 0.000 2.158 320 D HA -0.353 nan 4.640 nan 0.000 0.197 320 D C 2.922 179.235 176.300 0.021 0.000 0.995 320 D CA 3.562 57.577 54.000 0.025 0.000 0.846 320 D CB -0.626 40.192 40.800 0.030 0.000 0.941 320 D HN 0.066 8.451 8.370 0.026 0.000 0.456 321 K N -0.996 119.415 120.400 0.018 0.000 2.155 321 K HA -0.177 nan 4.320 nan 0.000 0.203 321 K C 2.561 179.161 176.600 0.001 0.000 1.052 321 K CA 2.782 59.074 56.287 0.008 0.000 0.948 321 K CB 0.062 32.564 32.500 0.003 0.000 0.728 321 K HN -0.694 7.560 8.250 0.020 0.008 0.448 322 L N -0.956 120.270 121.223 0.005 0.000 2.109 322 L HA -0.288 nan 4.340 nan 0.000 0.207 322 L C 1.723 178.596 176.870 0.006 0.000 1.086 322 L CA 2.817 57.660 54.840 0.004 0.000 0.760 322 L CB -0.346 41.720 42.059 0.012 0.000 0.910 322 L HN -0.376 7.772 8.230 0.011 0.088 0.437 323 A N -0.511 122.316 122.820 0.011 0.000 1.877 323 A HA -0.369 nan 4.320 nan 0.000 0.216 323 A C 1.883 179.473 177.584 0.010 0.000 1.186 323 A CA 3.441 55.486 52.037 0.012 0.000 0.620 323 A CB -0.875 18.135 19.000 0.017 0.000 0.822 323 A HN 0.206 8.364 8.150 0.014 0.000 0.443 324 K N -2.192 118.214 120.400 0.010 0.000 2.032 324 K HA -0.314 nan 4.320 nan 0.000 0.209 324 K C 1.441 178.041 176.600 -0.001 0.000 1.048 324 K CA 3.003 59.295 56.287 0.008 0.000 0.927 324 K CB -0.030 32.475 32.500 0.009 0.000 0.712 324 K HN -0.538 7.719 8.250 0.012 0.000 0.441 325 A N -3.420 119.395 122.820 -0.008 0.000 1.930 325 A HA 0.108 nan 4.320 nan 0.000 0.215 325 A C 1.575 179.153 177.584 -0.010 0.000 1.176 325 A CA 2.407 54.436 52.037 -0.015 0.000 0.632 325 A CB 0.795 19.780 19.000 -0.024 0.000 0.819 325 A HN -0.386 7.760 8.150 -0.007 0.000 0.445 326 T N -7.222 107.329 114.554 -0.006 0.000 3.037 326 T HA 0.121 nan 4.350 nan 0.000 0.251 326 T C 1.630 176.330 174.700 0.000 0.000 1.079 326 T CA 0.696 62.793 62.100 -0.004 0.000 1.067 326 T CB 0.949 69.816 68.868 -0.003 0.000 0.948 326 T HN 0.134 8.372 8.240 -0.003 0.000 0.496 327 G N 2.958 111.760 108.800 0.003 0.000 2.147 327 G HA2 -0.456 nan 3.960 nan 0.000 0.244 327 G HA3 -0.456 nan 3.960 nan 0.000 0.244 327 G C -1.219 173.686 174.900 0.007 0.000 1.005 327 G CA 0.230 45.333 45.100 0.005 0.000 0.713 327 G HN 0.284 8.483 8.290 0.003 0.093 0.515 328 A N -0.619 122.206 122.820 0.008 0.000 2.271 328 A HA 0.156 nan 4.320 nan 0.000 0.288 328 A C -1.089 176.503 177.584 0.013 0.000 1.094 328 A CA -0.696 51.348 52.037 0.010 0.000 0.828 328 A CB 1.583 20.590 19.000 0.012 0.000 1.091 328 A HN -0.758 7.363 8.150 0.008 0.034 0.493 329 S N -0.310 115.398 115.700 0.013 0.000 2.472 329 S HA 0.161 nan 4.470 nan 0.000 0.303 329 S C -0.933 173.677 174.600 0.017 0.000 1.099 329 S CA -1.141 57.067 58.200 0.015 0.000 1.077 329 S CB 1.471 64.679 63.200 0.013 0.000 1.031 329 S HN 0.085 8.403 8.310 0.013 0.000 0.487 330 I N 4.258 124.839 120.570 0.018 0.000 2.421 330 I HA -0.142 nan 4.170 nan 0.000 0.291 330 I C -0.630 175.498 176.117 0.019 0.000 1.089 330 I CA 0.289 61.601 61.300 0.020 0.000 1.354 330 I CB -0.152 37.860 38.000 0.021 0.000 1.413 330 I HN 0.239 8.460 8.210 0.018 0.000 0.513 331 V N 9.417 129.343 119.914 0.019 0.000 2.509 331 V HA 0.152 nan 4.120 nan 0.000 0.284 331 V C -0.031 176.075 176.094 0.020 0.000 1.047 331 V CA -0.580 61.731 62.300 0.018 0.000 0.952 331 V CB 1.623 33.457 31.823 0.018 0.000 0.988 331 V HN 0.573 8.776 8.190 0.021 0.000 0.469 332 S N 3.261 118.972 115.700 0.019 0.000 2.540 332 S HA 0.156 nan 4.470 nan 0.000 0.222 332 S C -0.769 173.843 174.600 0.019 0.000 1.008 332 S CA 1.509 59.721 58.200 0.020 0.000 0.939 332 S CB 1.408 64.620 63.200 0.019 0.000 0.865 332 S HN 0.448 8.768 8.310 0.017 0.000 0.499 333 T N 4.351 118.915 114.554 0.018 0.000 3.250 333 T HA 0.289 nan 4.350 nan 0.000 0.391 333 T C 0.101 174.811 174.700 0.017 0.000 1.502 333 T CA -1.080 61.030 62.100 0.017 0.000 1.320 333 T CB -0.312 68.566 68.868 0.016 0.000 1.102 333 T HN -0.325 7.926 8.240 0.017 0.000 0.610 334 I N 4.311 124.892 120.570 0.018 0.000 2.236 334 I HA -0.564 nan 4.170 nan 0.000 0.249 334 I C 0.898 177.024 176.117 0.014 0.000 1.102 334 I CA 3.826 65.136 61.300 0.017 0.000 1.365 334 I CB -0.162 37.850 38.000 0.020 0.000 1.051 334 I HN 0.317 8.539 8.210 0.020 0.000 0.420 335 D N -1.586 118.823 120.400 0.014 0.000 2.158 335 D HA -0.342 nan 4.640 nan 0.000 0.197 335 D C 1.429 177.734 176.300 0.009 0.000 0.995 335 D CA 3.284 57.291 54.000 0.011 0.000 0.846 335 D CB -0.584 40.223 40.800 0.012 0.000 0.941 335 D HN 0.245 8.605 8.370 0.016 0.019 0.456 336 E N -2.878 117.328 120.200 0.010 0.000 2.394 336 E HA 0.133 nan 4.350 nan 0.000 0.191 336 E C -0.522 176.083 176.600 0.009 0.000 1.044 336 E CA -1.476 54.929 56.400 0.009 0.000 0.939 336 E CB -0.337 29.369 29.700 0.010 0.000 1.089 336 E HN -0.311 7.918 8.360 0.012 0.138 0.456 337 I N 0.930 121.506 120.570 0.009 0.000 2.696 337 I HA -0.128 nan 4.170 nan 0.000 0.284 337 I C -1.706 174.416 176.117 0.007 0.000 1.129 337 I CA 0.574 61.880 61.300 0.010 0.000 1.410 337 I CB 0.875 38.882 38.000 0.011 0.000 1.399 337 I HN -0.364 7.678 8.210 0.009 0.173 0.579 338 S N 6.010 121.714 115.700 0.007 0.000 2.638 338 S HA 0.402 nan 4.470 nan 0.000 0.274 338 S C 0.305 174.909 174.600 0.006 0.000 1.157 338 S CA -1.014 57.190 58.200 0.006 0.000 0.826 338 S CB 2.852 66.055 63.200 0.005 0.000 1.139 338 S HN 0.174 8.736 8.310 0.009 -0.247 0.474 339 S N 0.071 115.773 115.700 0.005 0.000 2.442 339 S HA -0.205 nan 4.470 nan 0.000 0.236 339 S C 1.952 176.555 174.600 0.005 0.000 1.007 339 S CA 2.633 60.836 58.200 0.005 0.000 0.965 339 S CB -0.413 62.789 63.200 0.003 0.000 0.773 339 S HN 0.470 8.783 8.310 0.004 0.000 0.504 340 S N 2.755 118.458 115.700 0.005 0.000 2.419 340 S HA -0.195 nan 4.470 nan 0.000 0.233 340 S C 0.860 175.464 174.600 0.006 0.000 1.016 340 S CA 2.695 60.898 58.200 0.005 0.000 0.974 340 S CB -0.400 62.803 63.200 0.005 0.000 0.786 340 S HN -0.370 7.911 8.310 0.005 0.032 0.492 341 D N -1.557 118.847 120.400 0.008 0.000 2.277 341 D HA 0.047 nan 4.640 nan 0.000 0.208 341 D C -0.561 175.745 176.300 0.010 0.000 0.962 341 D CA 1.037 55.042 54.000 0.009 0.000 0.865 341 D CB 0.585 41.392 40.800 0.011 0.000 0.939 341 D HN -0.215 8.009 8.370 0.007 0.150 0.510 342 L N -0.526 120.703 121.223 0.009 0.000 2.456 342 L HA -0.107 nan 4.340 nan 0.000 0.272 342 L C 0.288 177.163 176.870 0.007 0.000 1.189 342 L CA 0.668 55.513 54.840 0.009 0.000 0.846 342 L CB 0.063 42.127 42.059 0.008 0.000 1.111 342 L HN -0.835 7.232 8.230 0.008 0.168 0.475 343 G N 2.126 110.930 108.800 0.007 0.000 2.511 343 G HA2 0.453 nan 3.960 nan 0.000 0.316 343 G HA3 0.453 nan 3.960 nan 0.000 0.316 343 G C -1.883 173.018 174.900 0.001 0.000 1.210 343 G CA -1.255 43.848 45.100 0.004 0.000 0.969 343 G HN 0.532 8.713 8.290 0.009 0.114 0.492 344 T N 1.304 115.857 114.554 -0.002 0.000 2.893 344 T HA 0.791 nan 4.350 nan 0.000 0.293 344 T C -2.245 172.450 174.700 -0.009 0.000 1.027 344 T CA -0.268 61.829 62.100 -0.005 0.000 0.988 344 T CB 2.633 71.499 68.868 -0.003 0.000 1.043 344 T HN 0.111 8.231 8.240 -0.002 0.119 0.461 345 A N 4.334 127.148 122.820 -0.011 0.000 2.577 345 A HA 0.494 nan 4.320 nan 0.000 0.297 345 A C -0.968 176.607 177.584 -0.014 0.000 1.060 345 A CA -0.709 51.320 52.037 -0.014 0.000 0.697 345 A CB 2.767 21.756 19.000 -0.019 0.000 1.281 345 A HN 0.121 8.264 8.150 -0.012 0.000 0.402 346 E N 1.782 121.976 120.200 -0.010 0.000 2.153 346 E HA -0.211 nan 4.350 nan 0.000 0.194 346 E C -0.560 176.034 176.600 -0.011 0.000 0.988 346 E CA 2.685 59.081 56.400 -0.007 0.000 0.811 346 E CB 1.235 30.934 29.700 -0.003 0.000 0.746 346 E HN 0.367 8.598 8.360 -0.008 0.124 0.466 347 R N -7.485 113.006 120.500 -0.015 0.000 2.644 347 R HA 0.388 nan 4.340 nan 0.000 0.257 347 R C -2.519 173.755 176.300 -0.043 0.000 1.082 347 R CA -0.483 55.602 56.100 -0.026 0.000 0.927 347 R CB 2.576 32.868 30.300 -0.013 0.000 1.258 347 R HN -0.561 7.688 8.270 -0.012 0.014 0.459 348 V N 2.594 122.448 119.914 -0.099 0.000 2.495 348 V HA 0.769 nan 4.120 nan 0.000 0.298 348 V C -2.222 173.734 176.094 -0.231 0.000 1.031 348 V CA -1.216 60.974 62.300 -0.184 0.000 0.871 348 V CB 2.501 34.134 31.823 -0.317 0.000 0.988 348 V HN 0.743 8.872 8.190 -0.101 0.000 0.432 349 E N 5.946 126.051 120.200 -0.158 0.000 2.352 349 E HA 0.568 nan 4.350 nan 0.000 0.280 349 E C -3.034 173.578 176.600 0.019 0.000 0.930 349 E CA -1.394 54.957 56.400 -0.081 0.000 0.765 349 E CB 4.345 34.022 29.700 -0.038 0.000 1.219 349 E HN 0.397 8.713 8.360 -0.074 0.000 0.434 350 Q N 5.705 125.589 119.800 0.140 0.000 2.274 350 Q HA 0.483 nan 4.340 nan 0.000 0.256 350 Q C -1.276 174.774 176.000 0.083 0.000 0.927 350 Q CA -0.384 55.541 55.803 0.203 0.000 0.939 350 Q CB 1.890 30.781 28.738 0.254 0.000 1.201 350 Q HN 0.237 8.495 8.270 0.163 0.110 0.426 351 V N 1.398 121.303 119.914 -0.015 0.000 2.876 351 V HA 0.594 nan 4.120 nan 0.000 0.312 351 V C -3.004 173.043 176.094 -0.078 0.000 1.085 351 V CA -2.602 59.603 62.300 -0.158 0.000 0.945 351 V CB 4.269 35.718 31.823 -0.623 0.000 1.017 351 V HN 0.750 8.954 8.190 0.025 0.000 0.428 352 K N 3.802 124.107 120.400 -0.158 0.000 2.248 352 K HA 0.476 nan 4.320 nan 0.000 0.281 352 K C -0.877 175.581 176.600 -0.235 0.000 1.054 352 K CA -0.517 55.528 56.287 -0.402 0.000 0.903 352 K CB 0.936 33.065 32.500 -0.618 0.000 1.077 352 K HN 0.217 8.399 8.250 -0.114 0.000 0.474 353 V N 9.290 129.105 119.914 -0.165 0.000 2.275 353 V HA 0.195 nan 4.120 nan 0.000 0.272 353 V C -0.539 175.510 176.094 -0.075 0.000 1.028 353 V CA -1.133 61.133 62.300 -0.057 0.000 0.810 353 V CB -0.938 30.924 31.823 0.065 0.000 1.043 353 V HN 0.623 8.602 8.190 -0.185 0.101 0.453 354 G N 7.633 116.382 108.800 -0.086 0.000 2.609 354 G HA2 -0.458 nan 3.960 nan 0.000 0.288 354 G HA3 -0.458 nan 3.960 nan 0.000 0.288 354 G C -0.145 174.687 174.900 -0.113 0.000 1.211 354 G CA 1.245 46.300 45.100 -0.074 0.000 0.963 354 G HN -0.194 8.043 8.290 -0.088 0.000 0.541 355 E N 4.586 124.732 120.200 -0.091 0.000 2.060 355 E HA -0.070 nan 4.350 nan 0.000 0.189 355 E C 0.256 176.763 176.600 -0.154 0.000 0.974 355 E CA 0.510 56.852 56.400 -0.097 0.000 0.808 355 E CB 0.803 30.476 29.700 -0.045 0.000 0.768 355 E HN 0.505 8.828 8.360 -0.062 0.000 0.453 356 D N -1.340 118.991 120.400 -0.115 0.000 2.360 356 D HA 0.040 nan 4.640 nan 0.000 0.242 356 D C -1.803 174.373 176.300 -0.207 0.000 1.184 356 D CA 1.031 54.976 54.000 -0.091 0.000 0.930 356 D CB 0.972 41.773 40.800 0.002 0.000 1.161 356 D HN -0.488 7.836 8.370 -0.076 0.000 0.447 357 Y N -0.873 119.447 120.300 0.034 0.000 2.335 357 Y HA 0.533 nan 4.550 nan 0.000 0.338 357 Y C -0.680 175.268 175.900 0.080 0.000 0.977 357 Y CA -0.226 57.897 58.100 0.038 0.000 1.114 357 Y CB 1.679 40.154 38.460 0.025 0.000 1.182 357 Y HN 0.014 8.390 8.280 0.161 0.000 0.463 358 M N 3.897 123.658 119.600 0.268 0.000 2.716 358 M HA 0.709 nan 4.480 nan 0.000 0.307 358 M C -1.854 174.657 176.300 0.351 0.000 1.223 358 M CA -1.144 54.338 55.300 0.303 0.000 0.871 358 M CB 5.052 37.893 32.600 0.402 0.000 1.739 358 M HN 0.771 9.196 8.290 0.224 0.000 0.475 359 T N 0.801 115.580 114.554 0.375 0.000 2.772 359 T HA 0.610 nan 4.350 nan 0.000 0.288 359 T C -1.500 173.450 174.700 0.417 0.000 0.994 359 T CA -1.890 60.423 62.100 0.356 0.000 0.951 359 T CB 0.955 70.023 68.868 0.333 0.000 0.933 359 T HN 0.778 9.209 8.240 0.317 0.000 0.447 360 F N 8.448 128.407 119.950 0.016 0.000 2.385 360 F HA 0.649 nan 4.527 nan 0.000 0.360 360 F C -1.277 174.496 175.800 -0.045 0.000 1.122 360 F CA -2.900 55.097 58.000 -0.006 0.000 1.090 360 F CB 0.810 39.810 39.000 0.001 0.000 1.150 360 F HN 0.793 9.338 8.300 0.409 0.000 0.472 361 V N 8.302 128.256 119.914 0.066 0.000 2.318 361 V HA 0.543 nan 4.120 nan 0.000 0.271 361 V C -1.935 174.164 176.094 0.008 0.000 1.030 361 V CA -1.902 60.404 62.300 0.010 0.000 0.844 361 V CB 0.964 32.777 31.823 -0.016 0.000 1.015 361 V HN 0.835 9.031 8.190 0.010 0.000 0.460 362 T N 11.265 125.835 114.554 0.026 0.000 2.945 362 T HA 0.653 nan 4.350 nan 0.000 0.286 362 T C -0.347 174.356 174.700 0.006 0.000 1.025 362 T CA -1.132 60.983 62.100 0.024 0.000 1.039 362 T CB 2.727 71.633 68.868 0.064 0.000 1.068 362 T HN 0.905 9.159 8.240 0.025 0.000 0.497 363 G N 3.411 112.211 108.800 0.001 0.000 2.359 363 G HA2 -0.471 nan 3.960 nan 0.000 0.298 363 G HA3 -0.471 nan 3.960 nan 0.000 0.298 363 G C -0.792 174.103 174.900 -0.009 0.000 1.030 363 G CA 0.430 45.528 45.100 -0.004 0.000 1.149 363 G HN 0.052 8.343 8.290 0.001 0.000 0.512 364 C N -2.117 117.174 119.300 -0.014 0.000 2.705 364 C HA 0.013 nan 4.460 nan 0.000 0.382 364 C C 1.266 176.248 174.990 -0.012 0.000 1.322 364 C CA -0.234 58.775 59.018 -0.015 0.000 2.290 364 C CB 0.829 28.557 27.740 -0.021 0.000 2.650 364 C HN -0.209 8.010 8.230 -0.017 0.000 0.695 365 K N 2.658 123.052 120.400 -0.010 0.000 2.026 365 K HA -0.338 nan 4.320 nan 0.000 0.208 365 K C 0.249 176.844 176.600 -0.008 0.000 1.048 365 K CA 2.219 58.502 56.287 -0.007 0.000 0.929 365 K CB 0.230 32.727 32.500 -0.005 0.000 0.713 365 K HN 0.101 8.345 8.250 -0.010 0.000 0.439 366 N N -1.303 117.391 118.700 -0.010 0.000 2.437 366 N HA 0.205 nan 4.740 nan 0.000 0.243 366 N C -1.292 174.205 175.510 -0.021 0.000 1.041 366 N CA -2.166 50.876 53.050 -0.012 0.000 0.940 366 N CB 0.958 39.438 38.487 -0.011 0.000 1.133 366 N HN -0.285 7.989 8.380 -0.011 0.100 0.506 367 P HA 0.014 nan 4.420 nan 0.000 0.241 367 P C -0.505 176.770 177.300 -0.041 0.000 1.191 367 P CA 0.642 63.726 63.100 -0.028 0.000 0.771 367 P CB 0.336 32.024 31.700 -0.021 0.000 0.929 368 K N -0.024 120.350 120.400 -0.043 0.000 2.997 368 K HA 0.148 nan 4.320 nan 0.000 0.249 368 K C -1.723 174.830 176.600 -0.077 0.000 1.284 368 K CA -0.818 55.431 56.287 -0.064 0.000 1.245 368 K CB -1.421 31.047 32.500 -0.054 0.000 1.670 368 K HN -0.096 8.066 8.250 -0.033 0.067 0.385 369 A N -0.750 122.026 122.820 -0.074 0.000 2.414 369 A HA 0.498 nan 4.320 nan 0.000 0.286 369 A C -1.957 175.576 177.584 -0.085 0.000 1.073 369 A CA -0.674 51.317 52.037 -0.077 0.000 0.727 369 A CB 2.660 21.626 19.000 -0.056 0.000 1.215 369 A HN -0.555 7.475 8.150 -0.067 0.080 0.430 370 V N 4.046 123.899 119.914 -0.103 0.000 3.078 370 V HA 0.530 nan 4.120 nan 0.000 0.311 370 V C -2.189 173.841 176.094 -0.107 0.000 1.138 370 V CA -1.322 60.915 62.300 -0.104 0.000 1.007 370 V CB 5.019 36.773 31.823 -0.115 0.000 1.045 370 V HN 1.122 9.245 8.190 -0.112 0.000 0.432 371 S N 2.605 118.237 115.700 -0.112 0.000 2.548 371 S HA 0.910 nan 4.470 nan 0.000 0.286 371 S C -1.993 172.548 174.600 -0.099 0.000 1.098 371 S CA -1.141 56.988 58.200 -0.119 0.000 0.930 371 S CB 3.467 66.556 63.200 -0.185 0.000 1.070 371 S HN 0.521 8.765 8.310 -0.110 0.000 0.480 372 I N 2.671 123.196 120.570 -0.075 0.000 2.418 372 I HA 0.521 nan 4.170 nan 0.000 0.287 372 I C -2.147 173.944 176.117 -0.044 0.000 1.008 372 I CA -0.821 60.451 61.300 -0.048 0.000 1.104 372 I CB 3.098 41.085 38.000 -0.022 0.000 1.264 372 I HN 0.852 9.020 8.210 -0.070 0.000 0.438 373 L N 9.201 130.404 121.223 -0.034 0.000 2.288 373 L HA 0.500 nan 4.340 nan 0.000 0.283 373 L C -1.681 175.193 176.870 0.006 0.000 1.072 373 L CA -1.516 53.316 54.840 -0.013 0.000 0.862 373 L CB 0.036 42.103 42.059 0.014 0.000 1.245 373 L HN 0.752 8.965 8.230 -0.029 0.000 0.432 374 V N 9.800 129.717 119.914 0.005 0.000 2.508 374 V HA 0.107 nan 4.120 nan 0.000 0.281 374 V C -0.972 175.129 176.094 0.011 0.000 1.041 374 V CA -0.016 62.289 62.300 0.009 0.000 1.016 374 V CB -0.488 31.340 31.823 0.008 0.000 0.984 374 V HN 1.197 9.284 8.190 0.001 0.103 0.478 375 R N 7.574 128.081 120.500 0.012 0.000 2.778 375 R HA 0.813 nan 4.340 nan 0.000 0.277 375 R C -0.545 175.761 176.300 0.009 0.000 0.977 375 R CA -2.916 53.191 56.100 0.012 0.000 0.950 375 R CB 2.676 32.984 30.300 0.014 0.000 1.165 375 R HN -0.217 8.060 8.270 0.013 0.000 0.474 376 G N -1.017 107.788 108.800 0.008 0.000 2.632 376 G HA2 0.139 nan 3.960 nan 0.000 0.292 376 G HA3 0.139 nan 3.960 nan 0.000 0.292 376 G C -0.421 174.484 174.900 0.009 0.000 1.465 376 G CA 0.059 45.165 45.100 0.009 0.000 0.824 376 G HN -0.442 7.852 8.290 0.007 0.000 0.509 377 E N 0.796 121.003 120.200 0.011 0.000 2.112 377 E HA -0.075 nan 4.350 nan 0.000 0.190 377 E C 0.710 177.319 176.600 0.014 0.000 0.979 377 E CA 1.838 58.244 56.400 0.011 0.000 0.814 377 E CB 0.322 30.028 29.700 0.010 0.000 0.762 377 E HN 0.375 8.743 8.360 0.012 0.000 0.460 378 T N 0.093 114.661 114.554 0.022 0.000 2.945 378 T HA 0.270 nan 4.350 nan 0.000 0.286 378 T C 0.184 174.903 174.700 0.031 0.000 1.025 378 T CA -1.109 61.012 62.100 0.035 0.000 1.039 378 T CB 2.223 71.120 68.868 0.049 0.000 1.068 378 T HN -0.447 7.806 8.240 0.022 0.000 0.497 379 E N 3.961 124.183 120.200 0.038 0.000 2.031 379 E HA -0.383 nan 4.350 nan 0.000 0.193 379 E C 1.837 178.384 176.600 -0.087 0.000 0.994 379 E CA 4.385 60.773 56.400 -0.021 0.000 0.800 379 E CB 0.157 29.847 29.700 -0.016 0.000 0.752 379 E HN 0.633 9.029 8.360 0.059 0.000 0.447 380 H N -3.668 115.402 119.070 0.001 0.000 2.545 380 H HA -0.119 nan 4.556 nan 0.000 0.282 380 H C 2.062 177.390 175.328 -0.000 0.000 1.020 380 H CA 2.816 58.864 56.048 -0.001 0.000 1.243 380 H CB -0.653 29.108 29.762 -0.002 0.000 1.377 380 H HN 0.371 8.780 8.280 0.215 0.000 0.581 381 V N 0.297 120.251 119.914 0.067 0.000 2.426 381 V HA -0.202 nan 4.120 nan 0.000 0.242 381 V C 1.153 177.255 176.094 0.012 0.000 1.036 381 V CA 3.770 66.094 62.300 0.041 0.000 1.044 381 V CB -0.099 31.745 31.823 0.035 0.000 0.688 381 V HN -0.703 7.341 8.190 0.061 0.184 0.462 382 V N 0.778 120.690 119.914 -0.002 0.000 2.490 382 V HA -0.509 nan 4.120 nan 0.000 0.250 382 V C 1.011 177.090 176.094 -0.025 0.000 1.061 382 V CA 3.955 66.249 62.300 -0.011 0.000 1.064 382 V CB -0.640 31.175 31.823 -0.012 0.000 0.670 382 V HN 0.268 8.458 8.190 -0.000 0.000 0.461 383 D N -0.992 119.375 120.400 -0.054 0.000 2.092 383 D HA -0.312 nan 4.640 nan 0.000 0.193 383 D C 2.359 178.640 176.300 -0.031 0.000 0.994 383 D CA 4.026 57.986 54.000 -0.067 0.000 0.828 383 D CB -0.642 40.076 40.800 -0.136 0.000 0.963 383 D HN 0.124 8.445 8.370 -0.073 0.005 0.450 384 E N -0.235 119.957 120.200 -0.013 0.000 2.150 384 E HA -0.206 nan 4.350 nan 0.000 0.193 384 E C 2.238 178.841 176.600 0.005 0.000 0.985 384 E CA 2.331 58.732 56.400 0.002 0.000 0.814 384 E CB -0.394 29.316 29.700 0.017 0.000 0.752 384 E HN -0.822 7.532 8.360 -0.010 0.000 0.466 385 M N -0.649 118.954 119.600 0.005 0.000 2.117 385 M HA -0.281 nan 4.480 nan 0.000 0.262 385 M C 2.196 178.503 176.300 0.013 0.000 1.065 385 M CA 2.417 57.723 55.300 0.010 0.000 1.114 385 M CB -1.154 31.452 32.600 0.010 0.000 1.361 385 M HN -0.125 8.081 8.290 0.003 0.085 0.408 386 E N -0.193 120.011 120.200 0.007 0.000 2.106 386 E HA -0.386 nan 4.350 nan 0.000 0.192 386 E C 2.390 179.000 176.600 0.017 0.000 0.984 386 E CA 3.684 60.091 56.400 0.013 0.000 0.806 386 E CB -0.130 29.573 29.700 0.004 0.000 0.750 386 E HN -0.183 8.176 8.360 -0.001 0.000 0.458 387 R N -0.774 119.729 120.500 0.004 0.000 2.073 387 R HA -0.324 nan 4.340 nan 0.000 0.234 387 R C 2.737 179.045 176.300 0.014 0.000 1.134 387 R CA 3.473 59.573 56.100 -0.001 0.000 0.952 387 R CB -0.021 30.271 30.300 -0.013 0.000 0.850 387 R HN -0.317 7.951 8.270 -0.003 0.000 0.433 388 S N 0.428 116.139 115.700 0.018 0.000 2.359 388 S HA -0.279 nan 4.470 nan 0.000 0.224 388 S C 2.282 176.909 174.600 0.045 0.000 1.035 388 S CA 3.884 62.101 58.200 0.027 0.000 1.018 388 S CB -0.489 62.726 63.200 0.024 0.000 0.876 388 S HN -0.006 8.312 8.310 0.013 0.000 0.448 389 I N 0.756 121.354 120.570 0.046 0.000 2.286 389 I HA -0.453 nan 4.170 nan 0.000 0.248 389 I C 1.501 177.678 176.117 0.100 0.000 1.115 389 I CA 4.384 65.721 61.300 0.062 0.000 1.392 389 I CB -0.305 37.724 38.000 0.049 0.000 1.065 389 I HN 0.493 8.724 8.210 0.036 0.000 0.418 390 T N 2.019 116.636 114.554 0.104 0.000 2.915 390 T HA -0.313 nan 4.350 nan 0.000 0.269 390 T C 1.910 176.743 174.700 0.222 0.000 1.071 390 T CA 4.983 67.186 62.100 0.172 0.000 1.132 390 T CB -0.915 68.016 68.868 0.105 0.000 0.878 390 T HN 0.089 8.372 8.240 0.072 0.000 0.479 391 D N 1.868 122.341 120.400 0.122 0.000 2.084 391 D HA -0.156 nan 4.640 nan 0.000 0.196 391 D C 1.869 178.258 176.300 0.148 0.000 0.985 391 D CA 3.612 57.679 54.000 0.111 0.000 0.826 391 D CB 0.195 41.032 40.800 0.061 0.000 0.978 391 D HN -0.422 7.876 8.370 0.084 0.122 0.456 392 S N 1.242 117.012 115.700 0.116 0.000 2.365 392 S HA -0.398 nan 4.470 nan 0.000 0.225 392 S C 2.277 176.949 174.600 0.120 0.000 1.039 392 S CA 3.783 62.044 58.200 0.101 0.000 1.033 392 S CB 0.046 63.291 63.200 0.076 0.000 0.887 392 S HN -0.521 7.847 8.310 0.097 0.000 0.447 393 L N 0.228 121.543 121.223 0.155 0.000 2.042 393 L HA -0.448 nan 4.340 nan 0.000 0.210 393 L C 2.024 178.992 176.870 0.162 0.000 1.076 393 L CA 3.436 58.372 54.840 0.161 0.000 0.749 393 L CB -0.358 41.864 42.059 0.271 0.000 0.893 393 L HN -0.159 8.170 8.230 0.165 0.000 0.432 394 H N -1.899 117.272 119.070 0.169 0.000 2.462 394 H HA -0.210 nan 4.556 nan 0.000 0.292 394 H C 2.591 177.967 175.328 0.080 0.000 1.049 394 H CA 4.202 60.299 56.048 0.082 0.000 1.334 394 H CB 0.092 29.810 29.762 -0.074 0.000 1.404 394 H HN -0.696 7.710 8.280 0.341 0.078 0.544 395 V N 0.605 120.616 119.914 0.161 0.000 2.221 395 V HA -0.357 nan 4.120 nan 0.000 0.242 395 V C 1.811 177.953 176.094 0.080 0.000 1.041 395 V CA 4.872 67.237 62.300 0.108 0.000 0.995 395 V CB -0.507 31.370 31.823 0.089 0.000 0.635 395 V HN 0.012 8.219 8.190 0.176 0.089 0.448 396 V N -2.070 117.884 119.914 0.066 0.000 2.332 396 V HA -0.445 nan 4.120 nan 0.000 0.248 396 V C 1.317 177.414 176.094 0.006 0.000 1.055 396 V CA 4.064 66.388 62.300 0.038 0.000 1.038 396 V CB -1.252 30.598 31.823 0.044 0.000 0.651 396 V HN -0.208 8.027 8.190 0.075 0.000 0.450 397 A N -0.644 122.186 122.820 0.016 0.000 1.902 397 A HA -0.308 nan 4.320 nan 0.000 0.217 397 A C 2.046 179.651 177.584 0.034 0.000 1.181 397 A CA 3.417 55.453 52.037 -0.002 0.000 0.623 397 A CB -0.594 18.455 19.000 0.081 0.000 0.818 397 A HN 0.266 8.444 8.150 0.048 0.000 0.443 398 S N -1.541 114.200 115.700 0.068 0.000 2.453 398 S HA -0.230 nan 4.470 nan 0.000 0.231 398 S C 1.972 176.613 174.600 0.068 0.000 1.005 398 S CA 3.209 61.453 58.200 0.074 0.000 0.949 398 S CB -0.081 63.169 63.200 0.082 0.000 0.774 398 S HN -0.261 8.098 8.310 0.082 0.000 0.510 399 A N 3.415 126.272 122.820 0.061 0.000 1.872 399 A HA -0.171 nan 4.320 nan 0.000 0.214 399 A C 1.826 179.443 177.584 0.056 0.000 1.187 399 A CA 2.963 55.044 52.037 0.073 0.000 0.614 399 A CB -0.779 18.261 19.000 0.067 0.000 0.826 399 A HN -0.109 7.977 8.150 0.056 0.098 0.442 400 L N -2.203 119.017 121.223 -0.006 0.000 2.042 400 L HA -0.407 nan 4.340 nan 0.000 0.210 400 L C 1.963 178.854 176.870 0.035 0.000 1.076 400 L CA 3.300 58.088 54.840 -0.087 0.000 0.749 400 L CB -0.324 41.556 42.059 -0.299 0.000 0.893 400 L HN 0.138 8.357 8.230 -0.019 0.000 0.432 401 E N -2.604 117.634 120.200 0.063 0.000 2.047 401 E HA -0.273 nan 4.350 nan 0.000 0.191 401 E C 2.177 178.850 176.600 0.122 0.000 0.987 401 E CA 2.623 59.099 56.400 0.125 0.000 0.799 401 E CB -0.015 29.754 29.700 0.114 0.000 0.752 401 E HN -0.283 8.096 8.360 0.033 0.000 0.449 402 D N -3.090 117.368 120.400 0.097 0.000 2.144 402 D HA -0.149 nan 4.640 nan 0.000 0.199 402 D C 1.569 177.925 176.300 0.093 0.000 0.984 402 D CA 1.592 55.645 54.000 0.087 0.000 0.834 402 D CB 0.682 41.529 40.800 0.077 0.000 0.955 402 D HN -0.113 8.197 8.370 0.087 0.112 0.465 403 G N -1.984 106.883 108.800 0.112 0.000 2.176 403 G HA2 -0.440 nan 3.960 nan 0.000 0.253 403 G HA3 -0.440 nan 3.960 nan 0.000 0.253 403 G C -2.237 172.729 174.900 0.111 0.000 0.979 403 G CA 0.699 45.871 45.100 0.121 0.000 0.641 403 G HN 0.462 8.713 8.290 0.112 0.106 0.530 404 A N -1.537 121.345 122.820 0.102 0.000 2.532 404 A HA 1.066 nan 4.320 nan 0.000 0.290 404 A C -2.607 175.066 177.584 0.149 0.000 1.143 404 A CA -1.466 50.606 52.037 0.058 0.000 0.728 404 A CB 3.158 22.142 19.000 -0.026 0.000 1.317 404 A HN -0.650 7.502 8.150 0.103 0.060 0.414 405 Y N -5.424 114.899 120.300 0.038 0.000 2.597 405 Y HA 0.824 nan 4.550 nan 0.000 0.340 405 Y C -2.933 172.990 175.900 0.038 0.000 1.097 405 Y CA -2.180 55.942 58.100 0.037 0.000 1.037 405 Y CB 2.698 41.179 38.460 0.035 0.000 1.305 405 Y HN 0.558 8.476 8.280 -0.421 0.109 0.463 406 A N -2.034 120.931 122.820 0.242 0.000 2.413 406 A HA 0.498 nan 4.320 nan 0.000 0.307 406 A C -2.257 175.461 177.584 0.223 0.000 1.087 406 A CA -2.558 49.571 52.037 0.153 0.000 0.750 406 A CB 3.834 22.888 19.000 0.089 0.000 1.296 406 A HN 0.846 9.160 8.150 0.274 0.000 0.423 407 A N 0.426 123.357 122.820 0.185 0.000 2.440 407 A HA 0.414 nan 4.320 nan 0.000 0.251 407 A C 0.238 177.887 177.584 0.109 0.000 1.089 407 A CA -0.469 51.664 52.037 0.161 0.000 0.779 407 A CB 0.507 19.600 19.000 0.155 0.000 1.022 407 A HN 0.438 8.678 8.150 0.151 0.000 0.492 408 G N -0.516 108.331 108.800 0.080 0.000 2.630 408 G HA2 0.184 nan 3.960 nan 0.000 0.223 408 G HA3 0.184 nan 3.960 nan 0.000 0.223 408 G C 0.032 174.951 174.900 0.032 0.000 1.434 408 G CA -1.438 43.691 45.100 0.048 0.000 1.057 408 G HN 0.185 8.423 8.290 0.077 0.098 0.570 409 G N -2.000 106.801 108.800 0.001 0.000 2.166 409 G HA2 -0.424 nan 3.960 nan 0.000 0.260 409 G HA3 -0.424 nan 3.960 nan 0.000 0.260 409 G C 0.658 175.549 174.900 -0.014 0.000 0.986 409 G CA 0.533 45.620 45.100 -0.023 0.000 0.683 409 G HN 0.533 8.820 8.290 -0.004 0.000 0.527 410 G N -3.012 105.785 108.800 -0.004 0.000 2.176 410 G HA2 -0.491 nan 3.960 nan 0.000 0.253 410 G HA3 -0.491 nan 3.960 nan 0.000 0.253 410 G C 0.207 175.100 174.900 -0.012 0.000 0.979 410 G CA 0.331 45.421 45.100 -0.015 0.000 0.641 410 G HN -0.021 8.214 8.290 0.004 0.057 0.530 411 A N 1.127 123.975 122.820 0.047 0.000 1.845 411 A HA -0.294 nan 4.320 nan 0.000 0.215 411 A C 0.935 178.559 177.584 0.068 0.000 1.195 411 A CA 3.880 55.996 52.037 0.132 0.000 0.616 411 A CB -0.526 18.602 19.000 0.213 0.000 0.832 411 A HN -0.168 7.844 8.150 0.053 0.170 0.443 412 T N -0.985 113.618 114.554 0.082 0.000 2.929 412 T HA -0.313 nan 4.350 nan 0.000 0.271 412 T C 1.444 176.154 174.700 0.018 0.000 1.085 412 T CA 3.680 65.822 62.100 0.070 0.000 1.125 412 T CB -1.072 67.840 68.868 0.072 0.000 0.874 412 T HN -0.449 7.843 8.240 0.088 0.000 0.494 413 A N 0.727 123.536 122.820 -0.019 0.000 1.943 413 A HA 0.054 nan 4.320 nan 0.000 0.213 413 A C 1.370 178.910 177.584 -0.072 0.000 1.181 413 A CA 2.242 54.262 52.037 -0.029 0.000 0.653 413 A CB -0.744 18.236 19.000 -0.032 0.000 0.833 413 A HN -0.161 7.836 8.150 -0.019 0.142 0.451 414 A N -1.226 121.485 122.820 -0.182 0.000 1.969 414 A HA -0.271 nan 4.320 nan 0.000 0.218 414 A C 1.952 179.354 177.584 -0.303 0.000 1.169 414 A CA 2.974 54.829 52.037 -0.303 0.000 0.635 414 A CB -0.682 18.000 19.000 -0.531 0.000 0.810 414 A HN 0.253 8.295 8.150 -0.180 0.000 0.445 415 E N -0.520 119.512 120.200 -0.280 0.000 2.015 415 E HA -0.263 nan 4.350 nan 0.000 0.191 415 E C 2.069 178.758 176.600 0.149 0.000 0.991 415 E CA 2.467 58.918 56.400 0.085 0.000 0.802 415 E CB -0.336 29.495 29.700 0.218 0.000 0.759 415 E HN -0.249 7.920 8.360 -0.304 0.008 0.447 416 I N -0.219 120.398 120.570 0.080 0.000 2.185 416 I HA -0.601 nan 4.170 nan 0.000 0.246 416 I C 1.845 178.014 176.117 0.085 0.000 1.088 416 I CA 3.767 65.111 61.300 0.073 0.000 1.347 416 I CB -0.239 37.799 38.000 0.064 0.000 1.041 416 I HN -0.455 7.786 8.210 0.051 0.000 0.415 417 A N -0.856 122.013 122.820 0.082 0.000 1.883 417 A HA -0.317 nan 4.320 nan 0.000 0.217 417 A C 1.759 179.416 177.584 0.122 0.000 1.186 417 A CA 3.121 55.214 52.037 0.093 0.000 0.624 417 A CB -0.952 18.084 19.000 0.060 0.000 0.822 417 A HN -0.041 8.142 8.150 0.048 -0.004 0.444 418 F N -0.433 119.525 119.950 0.013 0.000 2.095 418 F HA -0.399 nan 4.527 nan 0.000 0.298 418 F C 1.705 177.536 175.800 0.052 0.000 1.104 418 F CA 2.794 60.817 58.000 0.038 0.000 1.232 418 F CB 0.130 39.166 39.000 0.059 0.000 0.987 418 F HN -0.306 8.077 8.300 0.257 0.071 0.475 419 R N -2.725 117.708 120.500 -0.111 0.000 2.280 419 R HA -0.268 nan 4.340 nan 0.000 0.207 419 R C 2.702 178.940 176.300 -0.104 0.000 1.043 419 R CA 2.654 58.643 56.100 -0.185 0.000 1.006 419 R CB -0.351 29.931 30.300 -0.030 0.000 0.885 419 R HN 0.206 8.556 8.270 0.133 0.000 0.467 420 L N -0.184 121.018 121.223 -0.035 0.000 2.202 420 L HA -0.181 nan 4.340 nan 0.000 0.205 420 L C 1.618 178.518 176.870 0.051 0.000 1.083 420 L CA 2.518 57.386 54.840 0.047 0.000 0.790 420 L CB -0.363 41.747 42.059 0.084 0.000 0.942 420 L HN -0.091 7.982 8.230 -0.011 0.150 0.452 421 R N -1.348 119.141 120.500 -0.018 0.000 2.159 421 R HA -0.357 nan 4.340 nan 0.000 0.237 421 R C 2.668 178.929 176.300 -0.065 0.000 1.131 421 R CA 3.331 59.414 56.100 -0.028 0.000 0.982 421 R CB -0.621 29.659 30.300 -0.034 0.000 0.868 421 R HN -0.343 7.907 8.270 -0.033 0.000 0.453 422 S N 0.210 115.831 115.700 -0.131 0.000 2.325 422 S HA -0.234 nan 4.470 nan 0.000 0.213 422 S C 1.687 176.280 174.600 -0.012 0.000 1.031 422 S CA 2.870 61.004 58.200 -0.109 0.000 0.984 422 S CB 0.022 63.121 63.200 -0.169 0.000 0.939 422 S HN -0.649 7.524 8.310 -0.205 0.013 0.438 423 Y N 2.894 123.130 120.300 -0.107 0.000 2.219 423 Y HA -0.507 nan 4.550 nan 0.000 0.283 423 Y C 1.018 176.885 175.900 -0.056 0.000 1.191 423 Y CA 2.876 60.931 58.100 -0.075 0.000 1.199 423 Y CB -0.145 38.270 38.460 -0.076 0.000 0.972 423 Y HN -0.773 7.580 8.280 0.122 0.000 0.527 424 A N -1.572 121.216 122.820 -0.054 0.000 1.877 424 A HA -0.387 nan 4.320 nan 0.000 0.216 424 A C 0.847 178.344 177.584 -0.145 0.000 1.186 424 A CA 2.837 54.806 52.037 -0.114 0.000 0.620 424 A CB -0.946 18.048 19.000 -0.011 0.000 0.822 424 A HN 0.059 8.222 8.150 0.059 0.022 0.443 425 Q N -2.022 117.721 119.800 -0.095 0.000 2.291 425 Q HA -0.223 nan 4.340 nan 0.000 0.206 425 Q C 1.889 177.825 176.000 -0.107 0.000 0.976 425 Q CA 2.313 58.067 55.803 -0.081 0.000 0.875 425 Q CB -0.367 28.340 28.738 -0.051 0.000 0.927 425 Q HN -0.165 7.980 8.270 -0.069 0.083 0.450 426 K N -0.580 119.726 120.400 -0.157 0.000 2.098 426 K HA -0.106 nan 4.320 nan 0.000 0.203 426 K C 1.907 178.377 176.600 -0.216 0.000 1.051 426 K CA 2.142 58.331 56.287 -0.163 0.000 0.957 426 K CB 0.485 32.890 32.500 -0.159 0.000 0.738 426 K HN -0.726 7.267 8.250 -0.174 0.153 0.447 427 I N 0.590 120.951 120.570 -0.347 0.000 2.781 427 I HA 0.044 nan 4.170 nan 0.000 0.303 427 I C -0.690 175.312 176.117 -0.192 0.000 1.161 427 I CA -1.881 59.233 61.300 -0.311 0.000 1.341 427 I CB -2.942 34.764 38.000 -0.491 0.000 1.585 427 I HN -0.337 7.599 8.210 -0.457 0.000 0.567 428 G N -0.113 108.608 108.800 -0.133 0.000 2.785 428 G HA2 -0.132 nan 3.960 nan 0.000 0.256 428 G HA3 -0.132 nan 3.960 nan 0.000 0.256 428 G C -0.257 174.604 174.900 -0.066 0.000 1.248 428 G CA 0.186 45.235 45.100 -0.086 0.000 0.914 428 G HN -0.582 7.550 8.290 -0.131 0.080 0.580 429 G N -0.024 108.750 108.800 -0.044 0.000 2.418 429 G HA2 -0.266 nan 3.960 nan 0.000 0.206 429 G HA3 -0.266 nan 3.960 nan 0.000 0.206 429 G C 0.297 175.183 174.900 -0.022 0.000 1.202 429 G CA -0.164 44.917 45.100 -0.032 0.000 1.061 429 G HN -0.160 8.106 8.290 -0.040 0.000 0.563 430 R N 3.652 124.141 120.500 -0.017 0.000 2.127 430 R HA -0.080 nan 4.340 nan 0.000 0.217 430 R C 1.986 178.283 176.300 -0.006 0.000 1.074 430 R CA 2.188 58.283 56.100 -0.008 0.000 0.991 430 R CB 0.013 30.311 30.300 -0.004 0.000 0.895 430 R HN 0.354 8.612 8.270 -0.020 0.000 0.450 431 Q N -1.026 118.765 119.800 -0.015 0.000 2.112 431 Q HA -0.406 nan 4.340 nan 0.000 0.206 431 Q C 2.261 178.261 176.000 -0.001 0.000 0.987 431 Q CA 3.015 58.812 55.803 -0.011 0.000 0.858 431 Q CB -1.234 27.486 28.738 -0.030 0.000 0.905 431 Q HN 0.150 8.406 8.270 -0.022 0.000 0.420 432 Q N -0.507 119.279 119.800 -0.023 0.000 2.112 432 Q HA -0.322 nan 4.340 nan 0.000 0.206 432 Q C 2.464 178.480 176.000 0.027 0.000 0.987 432 Q CA 3.109 58.901 55.803 -0.018 0.000 0.858 432 Q CB -0.510 28.206 28.738 -0.037 0.000 0.905 432 Q HN 0.068 8.318 8.270 -0.037 -0.003 0.420 433 L N -1.863 119.378 121.223 0.030 0.000 2.046 433 L HA -0.281 nan 4.340 nan 0.000 0.208 433 L C 1.770 178.700 176.870 0.100 0.000 1.077 433 L CA 2.817 57.688 54.840 0.051 0.000 0.747 433 L CB -0.890 41.189 42.059 0.034 0.000 0.896 433 L HN -0.392 7.738 8.230 0.015 0.109 0.432 434 A N -0.297 122.585 122.820 0.103 0.000 1.930 434 A HA -0.286 nan 4.320 nan 0.000 0.217 434 A C 2.520 180.311 177.584 0.345 0.000 1.175 434 A CA 3.048 55.204 52.037 0.198 0.000 0.627 434 A CB -1.095 17.947 19.000 0.069 0.000 0.815 434 A HN -0.531 7.577 8.150 0.059 0.078 0.443 435 I N -2.154 118.544 120.570 0.213 0.000 2.315 435 I HA -0.585 nan 4.170 nan 0.000 0.248 435 I C 2.233 178.469 176.117 0.199 0.000 1.117 435 I CA 4.120 65.537 61.300 0.196 0.000 1.404 435 I CB -0.177 37.891 38.000 0.114 0.000 1.071 435 I HN -0.008 8.210 8.210 0.137 0.073 0.419 436 E N 0.113 120.402 120.200 0.149 0.000 2.072 436 E HA -0.335 nan 4.350 nan 0.000 0.190 436 E C 2.483 179.169 176.600 0.143 0.000 0.982 436 E CA 3.325 59.797 56.400 0.121 0.000 0.803 436 E CB -0.260 29.487 29.700 0.079 0.000 0.755 436 E HN 0.004 8.438 8.360 0.123 0.000 0.453 437 K N -1.020 119.486 120.400 0.177 0.000 2.147 437 K HA -0.248 nan 4.320 nan 0.000 0.205 437 K C 2.430 179.112 176.600 0.136 0.000 1.049 437 K CA 2.102 58.490 56.287 0.168 0.000 0.936 437 K CB -0.591 32.051 32.500 0.237 0.000 0.722 437 K HN -0.221 8.141 8.250 0.187 0.000 0.446 438 F N 0.206 120.171 119.950 0.025 0.000 2.186 438 F HA -0.359 nan 4.527 nan 0.000 0.299 438 F C 0.753 176.506 175.800 -0.079 0.000 1.090 438 F CA 3.241 61.157 58.000 -0.140 0.000 1.307 438 F CB -0.004 38.923 39.000 -0.121 0.000 1.019 438 F HN -0.142 8.293 8.300 0.387 0.097 0.489 439 A N -0.485 122.472 122.820 0.229 0.000 1.873 439 A HA -0.388 nan 4.320 nan 0.000 0.215 439 A C 1.821 179.426 177.584 0.035 0.000 1.186 439 A CA 3.317 55.437 52.037 0.139 0.000 0.616 439 A CB -1.021 18.053 19.000 0.124 0.000 0.823 439 A HN -0.423 7.779 8.150 0.255 0.101 0.442 440 D N -1.424 118.991 120.400 0.025 0.000 2.149 440 D HA -0.342 nan 4.640 nan 0.000 0.198 440 D C 2.044 178.308 176.300 -0.060 0.000 0.990 440 D CA 3.113 57.109 54.000 -0.005 0.000 0.839 440 D CB -0.586 40.220 40.800 0.010 0.000 0.948 440 D HN -0.232 8.173 8.370 0.057 0.000 0.460 441 A N -1.004 121.738 122.820 -0.129 0.000 1.898 441 A HA -0.168 nan 4.320 nan 0.000 0.216 441 A C 2.578 180.031 177.584 -0.219 0.000 1.181 441 A CA 2.684 54.592 52.037 -0.214 0.000 0.620 441 A CB -0.395 18.374 19.000 -0.385 0.000 0.819 441 A HN -0.535 7.452 8.150 -0.124 0.089 0.442 442 I N -1.304 119.133 120.570 -0.221 0.000 2.361 442 I HA -0.429 nan 4.170 nan 0.000 0.251 442 I C 1.821 177.885 176.117 -0.089 0.000 1.133 442 I CA 2.679 63.888 61.300 -0.151 0.000 1.413 442 I CB -0.960 37.002 38.000 -0.064 0.000 1.073 442 I HN -0.310 7.761 8.210 -0.231 0.000 0.424 443 E N -1.578 118.582 120.200 -0.068 0.000 2.515 443 E HA -0.302 nan 4.350 nan 0.000 0.201 443 E C 2.006 178.573 176.600 -0.054 0.000 1.071 443 E CA 2.155 58.526 56.400 -0.049 0.000 0.880 443 E CB -0.982 28.701 29.700 -0.028 0.000 0.828 443 E HN -0.444 7.778 8.360 -0.065 0.098 0.540 444 E N 0.042 120.198 120.200 -0.073 0.000 2.152 444 E HA -0.207 nan 4.350 nan 0.000 0.192 444 E C 2.085 178.651 176.600 -0.057 0.000 0.983 444 E CA 2.157 58.518 56.400 -0.066 0.000 0.818 444 E CB -0.566 29.084 29.700 -0.084 0.000 0.758 444 E HN -0.135 7.953 8.360 -0.095 0.215 0.467 445 I N -0.148 120.386 120.570 -0.059 0.000 2.090 445 I HA -0.207 nan 4.170 nan 0.000 0.236 445 I C -0.738 175.353 176.117 -0.043 0.000 1.064 445 I CA 3.992 65.263 61.300 -0.048 0.000 1.324 445 I CB -3.556 34.418 38.000 -0.044 0.000 1.044 445 I HN -0.155 7.995 8.210 -0.068 0.019 0.399 446 P HA -0.194 nan 4.420 nan 0.000 0.218 446 P C 1.951 179.229 177.300 -0.037 0.000 1.148 446 P CA 3.141 66.218 63.100 -0.040 0.000 0.822 446 P CB -0.476 31.201 31.700 -0.038 0.000 0.784 447 R N -2.306 118.173 120.500 -0.036 0.000 2.062 447 R HA -0.308 nan 4.340 nan 0.000 0.231 447 R C 1.990 178.270 176.300 -0.034 0.000 1.136 447 R CA 3.501 59.582 56.100 -0.032 0.000 0.948 447 R CB -0.399 29.883 30.300 -0.031 0.000 0.845 447 R HN -0.525 7.712 8.270 -0.038 0.010 0.430 448 A N 0.437 123.235 122.820 -0.037 0.000 1.873 448 A HA -0.266 nan 4.320 nan 0.000 0.218 448 A C 2.246 179.806 177.584 -0.039 0.000 1.193 448 A CA 3.236 55.252 52.037 -0.036 0.000 0.629 448 A CB -0.966 18.011 19.000 -0.038 0.000 0.826 448 A HN 0.208 8.334 8.150 -0.040 0.000 0.447 449 L N -2.403 118.793 121.223 -0.045 0.000 2.012 449 L HA -0.499 nan 4.340 nan 0.000 0.210 449 L C 2.394 179.228 176.870 -0.060 0.000 1.073 449 L CA 2.976 57.782 54.840 -0.057 0.000 0.748 449 L CB -0.573 41.447 42.059 -0.064 0.000 0.891 449 L HN -0.033 8.171 8.230 -0.043 0.000 0.431 450 A N -1.462 121.328 122.820 -0.050 0.000 1.841 450 A HA -0.368 nan 4.320 nan 0.000 0.214 450 A C 2.183 179.745 177.584 -0.037 0.000 1.195 450 A CA 3.069 55.079 52.037 -0.045 0.000 0.611 450 A CB -1.023 17.956 19.000 -0.034 0.000 0.835 450 A HN -0.064 8.059 8.150 -0.045 0.000 0.443 451 E N -1.027 119.154 120.200 -0.031 0.000 2.049 451 E HA -0.476 nan 4.350 nan 0.000 0.198 451 E C 3.223 179.807 176.600 -0.026 0.000 1.007 451 E CA 3.198 59.583 56.400 -0.025 0.000 0.809 451 E CB -0.234 29.452 29.700 -0.024 0.000 0.749 451 E HN 0.297 8.532 8.360 -0.032 0.106 0.450 452 N N -0.584 118.098 118.700 -0.030 0.000 2.104 452 N HA -0.233 nan 4.740 nan 0.000 0.190 452 N C 1.650 177.143 175.510 -0.028 0.000 1.024 452 N CA 2.530 55.563 53.050 -0.028 0.000 0.853 452 N CB -0.472 37.996 38.487 -0.031 0.000 1.008 452 N HN 0.351 8.600 8.380 -0.034 0.111 0.424 453 A N -4.312 118.483 122.820 -0.042 0.000 2.167 453 A HA 0.101 nan 4.320 nan 0.000 0.214 453 A C 0.016 177.585 177.584 -0.024 0.000 1.151 453 A CA 0.111 52.122 52.037 -0.043 0.000 0.735 453 A CB 0.193 19.143 19.000 -0.083 0.000 0.802 453 A HN -0.349 7.691 8.150 -0.050 0.080 0.467 454 G N -2.866 105.922 108.800 -0.021 0.000 2.130 454 G HA2 -0.273 nan 3.960 nan 0.000 0.216 454 G HA3 -0.273 nan 3.960 nan 0.000 0.216 454 G C -0.336 174.555 174.900 -0.014 0.000 0.999 454 G CA 0.055 45.147 45.100 -0.013 0.000 0.686 454 G HN -0.603 7.515 8.290 -0.025 0.157 0.515 455 L N -2.056 119.155 121.223 -0.021 0.000 2.440 455 L HA 0.179 nan 4.340 nan 0.000 0.262 455 L C -0.946 175.914 176.870 -0.016 0.000 1.072 455 L CA -1.192 53.637 54.840 -0.020 0.000 0.798 455 L CB 1.107 43.149 42.059 -0.029 0.000 1.307 455 L HN -0.640 7.574 8.230 -0.027 0.000 0.475 456 D N 1.043 121.435 120.400 -0.012 0.000 2.359 456 D HA 0.395 nan 4.640 nan 0.000 0.230 456 D C -0.898 175.396 176.300 -0.010 0.000 1.118 456 D CA -3.898 50.097 54.000 -0.009 0.000 0.844 456 D CB 1.816 42.613 40.800 -0.005 0.000 1.059 456 D HN 0.105 8.468 8.370 -0.012 0.000 0.493 457 P HA -0.266 nan 4.420 nan 0.000 0.212 457 P C 1.135 178.431 177.300 -0.007 0.000 1.178 457 P CA 2.400 65.493 63.100 -0.012 0.000 0.915 457 P CB 0.177 31.869 31.700 -0.013 0.000 0.788 458 I N -4.550 116.018 120.570 -0.004 0.000 2.423 458 I HA -0.431 nan 4.170 nan 0.000 0.254 458 I C 1.067 177.186 176.117 0.004 0.000 1.151 458 I CA 2.382 63.682 61.300 0.001 0.000 1.421 458 I CB -0.193 37.809 38.000 0.002 0.000 1.079 458 I HN -0.189 8.084 8.210 -0.005 -0.066 0.431 459 D N -0.281 120.121 120.400 0.002 0.000 2.149 459 D HA -0.113 nan 4.640 nan 0.000 0.206 459 D C 2.325 178.629 176.300 0.007 0.000 0.967 459 D CA 3.069 57.072 54.000 0.005 0.000 0.848 459 D CB 0.133 40.935 40.800 0.003 0.000 0.998 459 D HN -0.842 7.524 8.370 -0.000 0.004 0.474 460 I N 0.957 121.528 120.570 0.002 0.000 2.226 460 I HA -0.394 nan 4.170 nan 0.000 0.245 460 I C 2.116 178.240 176.117 0.011 0.000 1.100 460 I CA 3.342 64.644 61.300 0.003 0.000 1.374 460 I CB -0.611 37.384 38.000 -0.009 0.000 1.057 460 I HN 0.245 8.454 8.210 -0.002 0.000 0.413 461 L N -0.814 120.413 121.223 0.007 0.000 2.042 461 L HA -0.329 nan 4.340 nan 0.000 0.210 461 L C 2.700 179.583 176.870 0.021 0.000 1.076 461 L CA 3.597 58.442 54.840 0.010 0.000 0.749 461 L CB -1.537 40.525 42.059 0.005 0.000 0.893 461 L HN 0.336 8.567 8.230 0.002 0.000 0.432 462 L N -1.922 119.313 121.223 0.021 0.000 2.056 462 L HA -0.387 nan 4.340 nan 0.000 0.207 462 L C 2.159 179.048 176.870 0.031 0.000 1.078 462 L CA 3.251 58.106 54.840 0.026 0.000 0.749 462 L CB -0.943 41.129 42.059 0.021 0.000 0.901 462 L HN -0.657 7.583 8.230 0.016 0.000 0.433 463 K N -0.604 119.816 120.400 0.033 0.000 2.057 463 K HA -0.370 nan 4.320 nan 0.000 0.207 463 K C 2.570 179.211 176.600 0.069 0.000 1.049 463 K CA 3.323 59.636 56.287 0.044 0.000 0.931 463 K CB -0.286 32.239 32.500 0.043 0.000 0.714 463 K HN -0.747 7.519 8.250 0.027 0.000 0.440 464 L N -0.766 120.501 121.223 0.073 0.000 2.042 464 L HA -0.369 nan 4.340 nan 0.000 0.210 464 L C 1.880 178.822 176.870 0.120 0.000 1.076 464 L CA 2.787 57.696 54.840 0.115 0.000 0.749 464 L CB -0.529 41.564 42.059 0.056 0.000 0.893 464 L HN 0.397 8.658 8.230 0.052 0.000 0.432 465 R N -2.065 118.471 120.500 0.059 0.000 2.081 465 R HA -0.427 nan 4.340 nan 0.000 0.235 465 R C 2.098 178.400 176.300 0.003 0.000 1.131 465 R CA 3.656 59.782 56.100 0.045 0.000 0.960 465 R CB -0.377 29.958 30.300 0.058 0.000 0.856 465 R HN -0.049 8.250 8.270 0.047 0.000 0.436 466 A N -0.343 122.483 122.820 0.010 0.000 1.851 466 A HA -0.297 nan 4.320 nan 0.000 0.216 466 A C 2.312 179.846 177.584 -0.083 0.000 1.195 466 A CA 3.221 55.243 52.037 -0.026 0.000 0.622 466 A CB -1.061 17.938 19.000 -0.003 0.000 0.831 466 A HN -0.195 7.901 8.150 0.030 0.072 0.444 467 E N -2.469 117.702 120.200 -0.049 0.000 2.085 467 E HA -0.391 nan 4.350 nan 0.000 0.194 467 E C 2.686 179.083 176.600 -0.338 0.000 0.994 467 E CA 3.064 59.362 56.400 -0.169 0.000 0.801 467 E CB -0.522 29.156 29.700 -0.038 0.000 0.743 467 E HN -0.228 8.147 8.360 0.025 0.000 0.453 468 H N -1.120 117.777 119.070 -0.289 0.000 2.462 468 H HA -0.104 nan 4.556 nan 0.000 0.292 468 H C 2.339 177.132 175.328 -0.893 0.000 1.049 468 H CA 2.853 58.627 56.048 -0.458 0.000 1.334 468 H CB 0.251 29.813 29.762 -0.334 0.000 1.404 468 H HN -0.519 7.781 8.280 0.049 0.009 0.544 469 A N 0.588 122.970 122.820 -0.730 0.000 1.898 469 A HA -0.156 nan 4.320 nan 0.000 0.216 469 A C 1.403 178.771 177.584 -0.361 0.000 1.181 469 A CA 2.542 54.144 52.037 -0.726 0.000 0.620 469 A CB -0.332 18.531 19.000 -0.229 0.000 0.819 469 A HN -0.008 7.803 8.150 -0.429 0.081 0.442 470 K N -1.951 118.282 120.400 -0.277 0.000 2.836 470 K HA -0.032 nan 4.320 nan 0.000 0.236 470 K C -0.430 176.024 176.600 -0.244 0.000 1.015 470 K CA -0.276 55.889 56.287 -0.203 0.000 1.194 470 K CB -1.085 31.310 32.500 -0.174 0.000 1.002 470 K HN -0.285 7.800 8.250 -0.275 0.000 0.479 471 G N -2.328 106.307 108.800 -0.275 0.000 2.168 471 G HA2 -0.404 nan 3.960 nan 0.000 0.257 471 G HA3 -0.404 nan 3.960 nan 0.000 0.257 471 G C -0.074 174.632 174.900 -0.323 0.000 0.997 471 G CA 0.362 45.322 45.100 -0.234 0.000 0.708 471 G HN -0.531 7.373 8.290 -0.326 0.189 0.520 472 N N 1.897 120.284 118.700 -0.521 0.000 3.124 472 N HA 0.020 nan 4.740 nan 0.000 0.284 472 N C 0.514 175.591 175.510 -0.721 0.000 1.209 472 N CA -0.978 51.651 53.050 -0.702 0.000 1.149 472 N CB -0.789 36.976 38.487 -1.204 0.000 1.434 472 N HN 0.245 8.166 8.380 -0.536 0.137 0.529 473 K N 1.824 122.009 120.400 -0.358 0.000 2.107 473 K HA -0.443 nan 4.320 nan 0.000 0.211 473 K C 0.233 176.868 176.600 0.059 0.000 1.049 473 K CA 3.325 59.544 56.287 -0.114 0.000 0.927 473 K CB -0.240 32.262 32.500 0.004 0.000 0.714 473 K HN -0.379 7.658 8.250 -0.262 0.057 0.452 474 T N -8.458 106.140 114.554 0.073 0.000 3.144 474 T HA 0.170 nan 4.350 nan 0.000 0.249 474 T C 0.394 175.271 174.700 0.296 0.000 1.089 474 T CA -1.185 61.032 62.100 0.196 0.000 0.989 474 T CB -0.928 68.042 68.868 0.170 0.000 0.992 474 T HN -0.410 7.826 8.240 0.019 0.016 0.540 475 Y N 3.524 123.798 120.300 -0.043 0.000 2.465 475 Y HA 0.039 nan 4.550 nan 0.000 0.331 475 Y C -0.105 175.915 175.900 0.199 0.000 1.102 475 Y CA -0.098 58.023 58.100 0.034 0.000 1.358 475 Y CB -0.412 37.995 38.460 -0.089 0.000 1.213 475 Y HN -0.143 8.036 8.280 0.113 0.170 0.525 476 G N 1.998 110.842 108.800 0.074 0.000 2.921 476 G HA2 0.691 nan 3.960 nan 0.000 0.291 476 G HA3 0.691 nan 3.960 nan 0.000 0.291 476 G C -2.687 172.196 174.900 -0.028 0.000 1.370 476 G CA -1.072 44.060 45.100 0.054 0.000 0.847 476 G HN 0.928 9.143 8.290 -0.125 0.000 0.532 477 I N -0.911 119.635 120.570 -0.041 0.000 2.291 477 I HA -0.019 nan 4.170 nan 0.000 0.292 477 I C -0.913 175.129 176.117 -0.124 0.000 1.064 477 I CA -0.245 61.010 61.300 -0.074 0.000 1.269 477 I CB -0.198 37.759 38.000 -0.071 0.000 1.418 477 I HN 0.317 8.385 8.210 -0.029 0.124 0.485 478 N N 8.958 127.582 118.700 -0.126 0.000 2.482 478 N HA 0.061 nan 4.740 nan 0.000 0.242 478 N C 0.812 176.190 175.510 -0.219 0.000 1.100 478 N CA -0.426 52.529 53.050 -0.159 0.000 0.946 478 N CB 0.421 38.862 38.487 -0.078 0.000 1.227 478 N HN 0.173 8.491 8.380 -0.104 0.000 0.508 479 V N 0.598 120.266 119.914 -0.409 0.000 2.913 479 V HA -0.168 nan 4.120 nan 0.000 0.260 479 V C 0.248 176.145 176.094 -0.329 0.000 1.098 479 V CA 2.056 64.119 62.300 -0.396 0.000 1.121 479 V CB -1.038 30.506 31.823 -0.466 0.000 0.714 479 V HN -0.154 7.741 8.190 -0.491 0.000 0.487 480 F N -2.060 117.879 119.950 -0.018 0.000 2.147 480 F HA -0.043 nan 4.527 nan 0.000 0.291 480 F C 2.160 177.950 175.800 -0.017 0.000 1.093 480 F CA 0.992 58.982 58.000 -0.017 0.000 1.263 480 F CB -0.466 38.522 39.000 -0.019 0.000 1.036 480 F HN -0.707 7.359 8.300 -0.540 -0.090 0.481 481 T N -7.341 107.292 114.554 0.131 0.000 3.054 481 T HA 0.045 nan 4.350 nan 0.000 0.259 481 T C 1.700 176.410 174.700 0.017 0.000 1.092 481 T CA 0.343 62.482 62.100 0.064 0.000 1.121 481 T CB 1.035 69.930 68.868 0.044 0.000 0.912 481 T HN 0.069 8.815 8.240 0.122 -0.433 0.489 482 G N 4.198 112.989 108.800 -0.016 0.000 2.225 482 G HA2 -0.494 nan 3.960 nan 0.000 0.264 482 G HA3 -0.494 nan 3.960 nan 0.000 0.264 482 G C -2.147 172.736 174.900 -0.028 0.000 1.060 482 G CA 0.194 45.275 45.100 -0.032 0.000 0.833 482 G HN 0.340 8.477 8.290 -0.032 0.133 0.498 483 E N -2.278 117.899 120.200 -0.038 0.000 2.343 483 E HA 0.367 nan 4.350 nan 0.000 0.270 483 E C -1.983 174.579 176.600 -0.064 0.000 0.895 483 E CA -2.507 53.871 56.400 -0.037 0.000 0.767 483 E CB 4.168 33.850 29.700 -0.029 0.000 1.248 483 E HN -0.691 7.640 8.360 -0.049 0.000 0.440 484 I N 3.195 123.733 120.570 -0.053 0.000 2.396 484 I HA 0.048 nan 4.170 nan 0.000 0.289 484 I C -0.519 175.443 176.117 -0.259 0.000 1.056 484 I CA 0.541 61.791 61.300 -0.083 0.000 1.365 484 I CB 0.099 38.123 38.000 0.039 0.000 1.407 484 I HN 0.343 8.539 8.210 -0.023 0.000 0.509 485 E N 7.640 127.576 120.200 -0.439 0.000 2.437 485 E HA 0.270 nan 4.350 nan 0.000 0.253 485 E C -2.269 173.764 176.600 -0.944 0.000 0.905 485 E CA -2.103 53.892 56.400 -0.676 0.000 0.871 485 E CB 3.777 33.297 29.700 -0.300 0.000 1.649 485 E HN 0.413 8.585 8.360 -0.314 0.000 0.422 486 D N 0.046 120.081 120.400 -0.609 0.000 2.339 486 D HA 0.207 nan 4.640 nan 0.000 0.241 486 D C 0.819 177.055 176.300 -0.106 0.000 1.183 486 D CA 0.267 54.112 54.000 -0.258 0.000 0.859 486 D CB 0.371 41.150 40.800 -0.034 0.000 1.067 486 D HN 0.100 8.213 8.370 -0.428 0.000 0.484 487 M N 6.212 125.790 119.600 -0.036 0.000 2.229 487 M HA -0.211 nan 4.480 nan 0.000 0.264 487 M C 1.915 178.234 176.300 0.031 0.000 1.063 487 M CA 1.719 57.020 55.300 0.003 0.000 1.114 487 M CB -1.017 31.605 32.600 0.035 0.000 1.387 487 M HN 0.721 9.010 8.290 -0.002 0.000 0.420 488 V N -1.498 118.456 119.914 0.067 0.000 2.488 488 V HA -0.240 nan 4.120 nan 0.000 0.246 488 V C 2.463 178.577 176.094 0.033 0.000 1.046 488 V CA 3.616 65.961 62.300 0.075 0.000 1.053 488 V CB -0.722 31.203 31.823 0.172 0.000 0.679 488 V HN -0.331 8.011 8.190 0.083 -0.103 0.458 489 K N 1.318 121.737 120.400 0.031 0.000 2.026 489 K HA -0.342 nan 4.320 nan 0.000 0.208 489 K C 1.768 178.367 176.600 -0.001 0.000 1.048 489 K CA 2.981 59.277 56.287 0.015 0.000 0.929 489 K CB -0.537 31.971 32.500 0.012 0.000 0.713 489 K HN 0.119 8.741 8.250 0.040 -0.348 0.439 490 N N -3.986 114.711 118.700 -0.006 0.000 2.550 490 N HA -0.201 nan 4.740 nan 0.000 0.186 490 N C 0.010 175.523 175.510 0.006 0.000 1.110 490 N CA 0.912 53.963 53.050 0.002 0.000 0.912 490 N CB 0.390 38.880 38.487 0.005 0.000 0.968 490 N HN -0.490 7.883 8.380 -0.012 0.000 0.448 491 G N -2.244 106.551 108.800 -0.008 0.000 2.176 491 G HA2 -0.297 nan 3.960 nan 0.000 0.253 491 G HA3 -0.297 nan 3.960 nan 0.000 0.253 491 G C -0.860 174.028 174.900 -0.021 0.000 0.979 491 G CA 0.281 45.364 45.100 -0.028 0.000 0.641 491 G HN -0.391 7.665 8.290 -0.007 0.230 0.530 492 V N 2.957 122.875 119.914 0.006 0.000 2.364 492 V HA 0.233 nan 4.120 nan 0.000 0.252 492 V C -1.576 174.529 176.094 0.018 0.000 1.075 492 V CA -0.502 61.807 62.300 0.015 0.000 1.033 492 V CB -1.098 30.737 31.823 0.019 0.000 1.116 492 V HN -0.363 7.777 8.190 0.010 0.056 0.488 493 I N 3.708 124.279 120.570 0.002 0.000 2.865 493 I HA 0.930 nan 4.170 nan 0.000 0.302 493 I C -1.794 174.343 176.117 0.034 0.000 1.140 493 I CA -1.617 59.697 61.300 0.024 0.000 1.021 493 I CB 3.571 41.523 38.000 -0.079 0.000 1.233 493 I HN -0.498 7.705 8.210 -0.013 0.000 0.427 494 E N 1.373 121.627 120.200 0.090 0.000 2.393 494 E HA 0.618 nan 4.350 nan 0.000 0.273 494 E C -2.953 173.723 176.600 0.126 0.000 0.918 494 E CA -3.288 53.164 56.400 0.086 0.000 0.773 494 E CB 3.191 32.936 29.700 0.074 0.000 1.275 494 E HN 0.623 9.067 8.360 0.140 0.000 0.451 495 P HA -0.079 nan 4.420 nan 0.000 0.267 495 P C -0.047 177.315 177.300 0.102 0.000 1.200 495 P CA 0.238 63.406 63.100 0.114 0.000 0.772 495 P CB 0.451 32.204 31.700 0.089 0.000 0.855 496 I N 2.597 123.225 120.570 0.097 0.000 2.394 496 I HA -0.462 nan 4.170 nan 0.000 0.251 496 I C 0.950 177.100 176.117 0.055 0.000 1.136 496 I CA 2.503 63.844 61.300 0.068 0.000 1.425 496 I CB 0.231 38.259 38.000 0.047 0.000 1.079 496 I HN -0.193 8.082 8.210 0.109 0.000 0.425 497 R N -0.545 119.989 120.500 0.056 0.000 2.105 497 R HA -0.378 nan 4.340 nan 0.000 0.239 497 R C 2.060 178.386 176.300 0.043 0.000 1.135 497 R CA 3.762 59.889 56.100 0.045 0.000 0.967 497 R CB -0.198 30.130 30.300 0.047 0.000 0.861 497 R HN -0.605 7.846 8.270 0.065 -0.142 0.442 498 V N -2.341 117.604 119.914 0.051 0.000 2.332 498 V HA -0.316 nan 4.120 nan 0.000 0.248 498 V C 1.872 177.992 176.094 0.043 0.000 1.055 498 V CA 3.913 66.243 62.300 0.049 0.000 1.038 498 V CB -0.671 31.185 31.823 0.054 0.000 0.651 498 V HN -0.568 7.657 8.190 0.059 0.000 0.450 499 G N -2.131 106.695 108.800 0.043 0.000 2.403 499 G HA2 -0.281 nan 3.960 nan 0.000 0.216 499 G HA3 -0.281 nan 3.960 nan 0.000 0.216 499 G C 0.984 175.907 174.900 0.038 0.000 1.154 499 G CA 1.833 46.956 45.100 0.039 0.000 0.784 499 G HN -0.439 7.880 8.290 0.048 0.000 0.538 500 K N 2.033 122.453 120.400 0.035 0.000 2.026 500 K HA -0.407 nan 4.320 nan 0.000 0.208 500 K C 2.488 179.108 176.600 0.033 0.000 1.048 500 K CA 3.706 60.011 56.287 0.031 0.000 0.929 500 K CB -0.155 32.359 32.500 0.024 0.000 0.713 500 K HN -0.691 7.580 8.250 0.036 0.000 0.439 501 Q N -1.151 118.667 119.800 0.030 0.000 2.050 501 Q HA -0.314 nan 4.340 nan 0.000 0.202 501 Q C 2.321 178.343 176.000 0.036 0.000 0.980 501 Q CA 3.027 58.847 55.803 0.028 0.000 0.840 501 Q CB -0.108 28.642 28.738 0.021 0.000 0.898 501 Q HN -0.350 7.938 8.270 0.030 0.000 0.424 502 A N -0.185 122.657 122.820 0.037 0.000 1.883 502 A HA -0.272 nan 4.320 nan 0.000 0.217 502 A C 2.004 179.605 177.584 0.029 0.000 1.186 502 A CA 3.127 55.182 52.037 0.031 0.000 0.624 502 A CB -0.660 18.354 19.000 0.023 0.000 0.822 502 A HN -0.175 7.997 8.150 0.037 0.000 0.444 503 I N -4.541 116.055 120.570 0.043 0.000 2.546 503 I HA -0.373 nan 4.170 nan 0.000 0.255 503 I C 1.604 177.776 176.117 0.092 0.000 1.163 503 I CA 3.117 64.462 61.300 0.076 0.000 1.457 503 I CB -0.270 37.810 38.000 0.133 0.000 1.092 503 I HN -0.271 7.965 8.210 0.044 0.000 0.434 504 E N 1.315 121.553 120.200 0.065 0.000 2.028 504 E HA -0.360 nan 4.350 nan 0.000 0.191 504 E C 2.566 179.200 176.600 0.058 0.000 0.988 504 E CA 3.543 59.979 56.400 0.059 0.000 0.799 504 E CB -0.083 29.641 29.700 0.040 0.000 0.755 504 E HN -0.095 8.195 8.360 0.053 0.102 0.447 505 S N -0.331 115.397 115.700 0.047 0.000 2.368 505 S HA -0.289 nan 4.470 nan 0.000 0.225 505 S C 2.138 176.762 174.600 0.039 0.000 1.030 505 S CA 3.625 61.852 58.200 0.044 0.000 0.999 505 S CB -0.043 63.184 63.200 0.046 0.000 0.844 505 S HN 0.320 8.548 8.310 0.043 0.107 0.459 506 A N 0.153 122.988 122.820 0.025 0.000 1.877 506 A HA -0.243 nan 4.320 nan 0.000 0.216 506 A C 1.627 179.220 177.584 0.016 0.000 1.186 506 A CA 3.478 55.511 52.037 -0.005 0.000 0.620 506 A CB -0.868 18.098 19.000 -0.056 0.000 0.822 506 A HN 0.139 8.305 8.150 0.027 0.000 0.443 507 T N -2.201 112.397 114.554 0.073 0.000 2.867 507 T HA -0.270 nan 4.350 nan 0.000 0.268 507 T C 2.181 176.963 174.700 0.137 0.000 1.057 507 T CA 3.989 66.175 62.100 0.144 0.000 1.136 507 T CB -0.580 68.453 68.868 0.275 0.000 0.874 507 T HN -0.320 7.974 8.240 0.089 0.000 0.466 508 E N 1.633 121.892 120.200 0.097 0.000 2.072 508 E HA -0.291 nan 4.350 nan 0.000 0.191 508 E C 1.896 178.539 176.600 0.072 0.000 0.985 508 E CA 2.881 59.330 56.400 0.082 0.000 0.801 508 E CB -0.505 29.232 29.700 0.061 0.000 0.750 508 E HN -0.486 7.925 8.360 0.085 0.000 0.452 509 A N -1.176 121.679 122.820 0.059 0.000 1.902 509 A HA -0.226 nan 4.320 nan 0.000 0.217 509 A C 2.088 179.705 177.584 0.056 0.000 1.181 509 A CA 3.086 55.150 52.037 0.046 0.000 0.623 509 A CB -0.758 18.259 19.000 0.029 0.000 0.818 509 A HN -0.166 8.016 8.150 0.053 0.000 0.443 510 A N -1.950 120.917 122.820 0.077 0.000 1.929 510 A HA -0.191 nan 4.320 nan 0.000 0.216 510 A C 2.073 179.741 177.584 0.140 0.000 1.176 510 A CA 2.662 54.767 52.037 0.114 0.000 0.628 510 A CB -0.509 18.584 19.000 0.155 0.000 0.816 510 A HN -0.512 7.682 8.150 0.073 0.000 0.444 511 I N -0.442 120.218 120.570 0.151 0.000 2.315 511 I HA -0.550 nan 4.170 nan 0.000 0.248 511 I C 1.418 177.574 176.117 0.066 0.000 1.117 511 I CA 3.989 65.359 61.300 0.117 0.000 1.404 511 I CB 0.065 38.141 38.000 0.126 0.000 1.071 511 I HN -0.043 8.262 8.210 0.158 0.000 0.419 512 M N 0.710 120.347 119.600 0.061 0.000 2.108 512 M HA -0.438 nan 4.480 nan 0.000 0.261 512 M C 1.995 178.315 176.300 0.034 0.000 1.066 512 M CA 4.204 59.529 55.300 0.043 0.000 1.107 512 M CB 0.144 32.769 32.600 0.042 0.000 1.356 512 M HN -0.417 7.915 8.290 0.070 0.000 0.406 513 I N -1.445 119.147 120.570 0.036 0.000 2.353 513 I HA -0.323 nan 4.170 nan 0.000 0.248 513 I C 2.426 178.552 176.117 0.014 0.000 1.119 513 I CA 2.992 64.307 61.300 0.025 0.000 1.417 513 I CB -0.370 37.643 38.000 0.022 0.000 1.078 513 I HN -0.730 7.506 8.210 0.045 0.000 0.421 514 L N -0.059 121.173 121.223 0.016 0.000 2.131 514 L HA -0.303 nan 4.340 nan 0.000 0.210 514 L C 1.746 178.596 176.870 -0.033 0.000 1.092 514 L CA 2.447 57.278 54.840 -0.015 0.000 0.759 514 L CB -0.783 41.261 42.059 -0.025 0.000 0.903 514 L HN -0.313 7.939 8.230 0.036 0.000 0.435 515 R N -4.230 116.263 120.500 -0.012 0.000 2.240 515 R HA -0.103 nan 4.340 nan 0.000 0.203 515 R C 0.558 176.853 176.300 -0.008 0.000 1.011 515 R CA 0.898 56.991 56.100 -0.012 0.000 1.007 515 R CB 0.583 30.888 30.300 0.008 0.000 0.911 515 R HN -0.565 7.690 8.270 0.005 0.018 0.468 516 I N 1.841 122.410 120.570 -0.001 0.000 2.379 516 I HA -0.126 nan 4.170 nan 0.000 0.290 516 I C -0.184 175.932 176.117 -0.001 0.000 1.063 516 I CA 1.043 62.346 61.300 0.006 0.000 1.351 516 I CB 0.117 38.127 38.000 0.017 0.000 1.410 516 I HN -0.679 7.386 8.210 0.002 0.146 0.505 517 D N 4.311 124.710 120.400 -0.001 0.000 2.433 517 D HA -0.036 nan 4.640 nan 0.000 0.211 517 D C -1.220 175.083 176.300 0.005 0.000 1.114 517 D CA -0.496 53.502 54.000 -0.004 0.000 0.837 517 D CB 0.767 41.561 40.800 -0.010 0.000 0.984 517 D HN 0.509 8.881 8.370 0.003 0.000 0.505 518 D N -2.429 117.977 120.400 0.010 0.000 2.769 518 D HA -0.004 nan 4.640 nan 0.000 0.219 518 D C -1.346 174.962 176.300 0.013 0.000 1.245 518 D CA -0.765 53.241 54.000 0.011 0.000 0.801 518 D CB 3.296 44.101 40.800 0.008 0.000 1.598 518 D HN -0.788 7.589 8.370 0.011 0.000 0.485 519 V N 4.140 124.062 119.914 0.012 0.000 2.407 519 V HA 0.453 nan 4.120 nan 0.000 0.291 519 V C -1.224 174.867 176.094 -0.004 0.000 1.018 519 V CA -0.881 61.423 62.300 0.007 0.000 0.842 519 V CB 0.887 32.716 31.823 0.010 0.000 0.996 519 V HN 0.029 8.225 8.190 0.011 0.000 0.426 520 I N 2.535 123.103 120.570 -0.004 0.000 2.730 520 I HA 0.545 nan 4.170 nan 0.000 0.298 520 I C -0.580 175.531 176.117 -0.009 0.000 1.089 520 I CA -0.444 60.852 61.300 -0.007 0.000 1.041 520 I CB 1.543 39.541 38.000 -0.003 0.000 1.235 520 I HN 0.114 8.323 8.210 -0.001 0.000 0.423 521 A N 0.000 122.813 122.820 -0.012 0.000 2.254 521 A HA 0.000 nan 4.320 nan 0.000 0.244 521 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 521 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 521 A HN 0.000 8.143 8.150 -0.012 0.000 0.486