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 3poh_1_A DATA FIRST_RESID 42 DATA SEQUENCE GIYENNAYLR DGKSNLVSKV VELHGETYAT TVKXGLSKTP NTATSAKVKI DATA SEQUENCE DAAYLETYNK AHNTDFALYP QDLVTFANEG ILTVNANTKS AEVEXTIRAG DATA SEQUENCE EGLQEDKTYA IPVAISDQSS DITIKDEDAK HCIYLVKDXR NAGDAYKGEG DATA SEQUENCE VXQGYLFFEV NDVNPLNTLS FQLENGKLLW DVVVLFAANI NYDAEAGRPR DATA SEQUENCE VQCNPNVQYL LDNNETLLQP LRRRGVKVLL GLLGNHDITG LAQLSEQGAK DATA SEQUENCE DFAREVAQYC KAYNLDGVNY DDEYSNSPDL SNPSLTNPST AAAARLCYET DATA SEQUENCE KQAXPDKLVT VFDWGQXYGV ATVDGVDAKE WIDIVVANYG SAAYPIGQXT DATA SEQUENCE KKQCSGISXE FNLGGGGSLS ASKAQSXIDG GYGWFXGFAP SPAKYGSVFS DATA SEQUENCE RLQGGGEVLY GSNVAAPTIF YKKNDPTPYK YPDDL 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 42 G HA2 0.000 nan 3.960 nan 0.000 0.244 42 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 42 G C 0.000 174.863 174.900 -0.061 0.000 0.946 42 G CA 0.000 45.086 45.100 -0.024 0.000 0.502 43 I N 0.552 121.027 120.570 -0.159 0.000 2.361 43 I HA -0.033 4.137 4.170 -0.000 0.000 0.251 43 I C 1.903 177.852 176.117 -0.279 0.000 1.133 43 I CA 1.328 62.464 61.300 -0.275 0.000 1.413 43 I CB 0.197 37.938 38.000 -0.432 0.000 1.073 43 I HN 0.298 nan 8.210 nan 0.000 0.424 44 Y N 0.104 120.408 120.300 0.007 0.000 2.466 44 Y HA 0.197 4.747 4.550 -0.000 0.000 0.272 44 Y C 0.865 176.770 175.900 0.009 0.000 1.169 44 Y CA -0.286 57.818 58.100 0.007 0.000 1.285 44 Y CB -0.258 38.205 38.460 0.006 0.000 1.078 44 Y HN 0.121 nan 8.280 nan 0.000 0.523 45 E N 1.963 122.234 120.200 0.118 0.000 2.070 45 E HA 0.030 4.379 4.350 -0.000 0.000 0.282 45 E C -0.486 176.152 176.600 0.063 0.000 1.104 45 E CA -0.191 56.258 56.400 0.081 0.000 0.876 45 E CB 0.022 29.754 29.700 0.054 0.000 1.055 45 E HN 0.027 nan 8.360 nan 0.000 0.401 46 N N 4.351 123.091 118.700 0.067 0.000 2.707 46 N HA 0.138 4.878 4.740 -0.000 0.000 0.235 46 N C -1.519 174.024 175.510 0.056 0.000 1.028 46 N CA -0.451 52.634 53.050 0.057 0.000 0.906 46 N CB 0.320 38.842 38.487 0.057 0.000 1.131 46 N HN 0.413 nan 8.380 nan 0.000 0.509 47 N N 0.801 119.537 118.700 0.060 0.000 2.488 47 N HA 0.420 5.160 4.740 -0.000 0.000 0.274 47 N C -0.548 175.024 175.510 0.104 0.000 1.111 47 N CA -0.263 52.829 53.050 0.070 0.000 0.974 47 N CB 1.193 39.716 38.487 0.060 0.000 1.089 47 N HN 0.464 nan 8.380 nan 0.000 0.465 48 A N 1.918 124.800 122.820 0.103 0.000 2.325 48 A HA 0.680 5.000 4.320 -0.000 0.000 0.333 48 A C -1.240 176.468 177.584 0.206 0.000 1.155 48 A CA -0.482 51.626 52.037 0.119 0.000 0.814 48 A CB 0.408 19.430 19.000 0.036 0.000 1.206 48 A HN 0.743 nan 8.150 nan 0.000 0.482 49 Y N -0.530 119.767 120.300 -0.004 0.000 2.625 49 Y HA 0.771 5.321 4.550 0.000 0.000 0.338 49 Y C -1.638 174.256 175.900 -0.010 0.000 1.123 49 Y CA -1.753 56.344 58.100 -0.004 0.000 1.046 49 Y CB 0.917 39.387 38.460 0.018 0.000 1.299 49 Y HN 0.546 nan 8.280 nan 0.000 0.464 50 L N 3.545 124.693 121.223 -0.124 0.000 2.334 50 L HA 0.761 5.101 4.340 -0.000 0.000 0.276 50 L C -0.370 176.412 176.870 -0.148 0.000 1.014 50 L CA -1.032 53.689 54.840 -0.198 0.000 0.815 50 L CB 2.052 44.055 42.059 -0.093 0.000 1.268 50 L HN 0.986 nan 8.230 nan 0.000 0.428 51 R N 0.002 120.400 120.500 -0.169 0.000 2.734 51 R HA 0.376 4.716 4.340 -0.000 0.000 0.271 51 R C -1.636 174.642 176.300 -0.036 0.000 1.021 51 R CA -0.962 55.094 56.100 -0.074 0.000 0.893 51 R CB 1.498 31.777 30.300 -0.034 0.000 1.244 51 R HN 0.437 nan 8.270 nan 0.000 0.464 52 D N 0.205 120.588 120.400 -0.029 0.000 2.390 52 D HA 0.193 4.833 4.640 -0.000 0.000 0.249 52 D C 1.105 177.457 176.300 0.088 0.000 1.144 52 D CA 0.622 54.674 54.000 0.087 0.000 0.880 52 D CB 1.450 42.292 40.800 0.070 0.000 1.182 52 D HN 0.626 nan 8.370 nan 0.000 0.451 53 G N 3.655 112.521 108.800 0.110 0.000 2.448 53 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.218 53 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.218 53 G C 1.401 176.341 174.900 0.067 0.000 1.135 53 G CA 0.537 45.675 45.100 0.064 0.000 0.784 53 G HN 0.525 nan 8.290 nan 0.000 0.543 54 K N 0.855 121.312 120.400 0.095 0.000 2.031 54 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 54 K C 2.717 179.368 176.600 0.086 0.000 1.049 54 K CA 1.601 57.938 56.287 0.084 0.000 0.939 54 K CB -0.040 32.522 32.500 0.103 0.000 0.717 54 K HN 0.385 nan 8.250 nan 0.000 0.438 55 S N -0.301 115.461 115.700 0.103 0.000 2.503 55 S HA 0.063 4.533 4.470 -0.000 0.000 0.215 55 S C 0.424 175.066 174.600 0.069 0.000 1.003 55 S CA 0.097 58.350 58.200 0.089 0.000 0.910 55 S CB -0.010 63.249 63.200 0.098 0.000 0.790 55 S HN 0.355 nan 8.310 nan 0.000 0.514 56 N N 0.887 119.626 118.700 0.065 0.000 2.741 56 N HA -0.114 4.626 4.740 -0.000 0.000 0.251 56 N C -0.867 174.688 175.510 0.076 0.000 1.112 56 N CA 0.829 53.918 53.050 0.065 0.000 0.750 56 N CB -1.749 36.779 38.487 0.068 0.000 1.119 56 N HN 0.522 nan 8.380 nan 0.000 0.561 57 L N 0.570 121.824 121.223 0.053 0.000 2.322 57 L HA 0.322 4.662 4.340 -0.000 0.000 0.279 57 L C 2.043 178.925 176.870 0.019 0.000 1.036 57 L CA -0.649 54.219 54.840 0.047 0.000 0.807 57 L CB 1.662 43.737 42.059 0.027 0.000 1.226 57 L HN -0.090 nan 8.230 nan 0.000 0.433 58 V N -1.340 118.618 119.914 0.073 0.000 2.871 58 V HA 0.027 4.147 4.120 -0.000 0.000 0.256 58 V C 0.859 176.950 176.094 -0.006 0.000 1.082 58 V CA 0.625 62.964 62.300 0.066 0.000 1.105 58 V CB 0.538 32.464 31.823 0.173 0.000 0.713 58 V HN 0.651 nan 8.190 nan 0.000 0.473 59 S N 0.871 116.572 115.700 0.001 0.000 2.659 59 S HA 0.674 5.144 4.470 -0.000 0.000 0.312 59 S C -0.796 173.753 174.600 -0.085 0.000 1.114 59 S CA -0.669 57.502 58.200 -0.047 0.000 1.063 59 S CB 1.104 64.343 63.200 0.064 0.000 0.996 59 S HN 0.564 nan 8.310 nan 0.000 0.478 60 K N 4.366 124.652 120.400 -0.190 0.000 2.463 60 K HA 0.547 4.867 4.320 -0.000 0.000 0.255 60 K C -1.353 175.199 176.600 -0.080 0.000 0.942 60 K CA -0.640 55.575 56.287 -0.119 0.000 0.814 60 K CB 1.369 33.779 32.500 -0.150 0.000 1.122 60 K HN 0.410 nan 8.250 nan 0.000 0.425 61 V N 4.730 124.617 119.914 -0.045 0.000 2.530 61 V HA 0.311 4.431 4.120 -0.000 0.000 0.282 61 V C -0.329 175.719 176.094 -0.077 0.000 1.048 61 V CA -0.634 61.624 62.300 -0.069 0.000 0.997 61 V CB 1.335 33.131 31.823 -0.044 0.000 0.987 61 V HN 0.523 nan 8.190 nan 0.000 0.477 62 V N 5.244 125.057 119.914 -0.168 0.000 2.409 62 V HA 0.370 4.490 4.120 -0.000 0.000 0.291 62 V C -0.051 175.827 176.094 -0.360 0.000 1.020 62 V CA -0.703 61.386 62.300 -0.352 0.000 0.848 62 V CB 1.732 33.233 31.823 -0.537 0.000 0.990 62 V HN 0.913 nan 8.190 nan 0.000 0.430 63 E N 5.036 125.021 120.200 -0.359 0.000 2.146 63 E HA 0.450 4.800 4.350 -0.000 0.000 0.282 63 E C -0.985 175.228 176.600 -0.645 0.000 0.989 63 E CA -0.478 55.652 56.400 -0.450 0.000 0.799 63 E CB 1.687 31.153 29.700 -0.389 0.000 1.088 63 E HN 0.535 nan 8.360 nan 0.000 0.397 64 L N 4.642 125.536 121.223 -0.547 0.000 2.283 64 L HA 0.176 4.516 4.340 -0.000 0.000 0.287 64 L C 0.907 177.475 176.870 -0.503 0.000 1.073 64 L CA -0.307 54.287 54.840 -0.410 0.000 0.822 64 L CB 0.163 42.078 42.059 -0.240 0.000 1.186 64 L HN 0.616 nan 8.230 nan 0.000 0.436 65 H N 2.098 121.036 119.070 -0.220 0.000 2.648 65 H HA 0.285 4.841 4.556 -0.000 0.000 0.265 65 H C 0.855 176.094 175.328 -0.148 0.000 0.961 65 H CA 0.410 56.260 56.048 -0.330 0.000 1.185 65 H CB 1.462 30.729 29.762 -0.824 0.000 1.449 65 H HN 0.725 nan 8.280 nan 0.000 0.523 66 G N -0.192 108.618 108.800 0.018 0.000 3.135 66 G HA2 0.182 4.142 3.960 -0.000 0.000 0.278 66 G HA3 0.182 4.142 3.960 -0.000 0.000 0.278 66 G C 0.341 175.251 174.900 0.017 0.000 1.302 66 G CA -0.357 44.767 45.100 0.039 0.000 0.880 66 G HN -0.068 nan 8.290 nan 0.000 0.574 67 E N -0.485 119.729 120.200 0.022 0.000 2.216 67 E HA 0.090 4.440 4.350 -0.000 0.000 0.192 67 E C 0.385 176.994 176.600 0.016 0.000 0.988 67 E CA 0.911 57.318 56.400 0.012 0.000 0.834 67 E CB 0.290 29.995 29.700 0.009 0.000 0.772 67 E HN 0.291 nan 8.360 nan 0.000 0.479 68 T N -0.077 114.494 114.554 0.028 0.000 2.893 68 T HA 0.406 4.756 4.350 -0.000 0.000 0.293 68 T C -1.471 173.274 174.700 0.076 0.000 1.027 68 T CA -0.561 61.556 62.100 0.029 0.000 0.988 68 T CB 1.725 70.593 68.868 0.001 0.000 1.043 68 T HN -0.030 nan 8.240 nan 0.000 0.461 69 Y N 1.594 121.848 120.300 -0.077 0.000 2.373 69 Y HA 0.660 5.210 4.550 -0.000 0.000 0.336 69 Y C -1.046 174.796 175.900 -0.097 0.000 0.979 69 Y CA -0.808 57.243 58.100 -0.081 0.000 1.080 69 Y CB 1.149 39.539 38.460 -0.117 0.000 1.190 69 Y HN 0.849 nan 8.280 nan 0.000 0.446 70 A N 4.349 126.801 122.820 -0.614 0.000 2.365 70 A HA 0.829 5.149 4.320 -0.000 0.000 0.318 70 A C -0.641 176.626 177.584 -0.528 0.000 1.091 70 A CA -0.219 51.570 52.037 -0.414 0.000 0.763 70 A CB 1.847 20.704 19.000 -0.238 0.000 1.248 70 A HN 0.784 nan 8.150 nan 0.000 0.442 71 T N -0.411 113.991 114.554 -0.253 0.000 2.645 71 T HA 0.770 5.120 4.350 -0.000 0.000 0.300 71 T C -0.613 174.074 174.700 -0.022 0.000 1.210 71 T CA 0.369 62.400 62.100 -0.115 0.000 1.034 71 T CB 1.379 70.270 68.868 0.037 0.000 1.537 71 T HN 1.505 nan 8.240 nan 0.000 0.492 72 T N -0.715 113.868 114.554 0.049 0.000 2.916 72 T HA 0.772 5.122 4.350 -0.000 0.000 0.292 72 T C -0.970 173.818 174.700 0.147 0.000 1.055 72 T CA -0.657 61.489 62.100 0.078 0.000 1.009 72 T CB 1.372 70.268 68.868 0.046 0.000 1.118 72 T HN 0.445 nan 8.240 nan 0.000 0.497 73 V N 2.077 122.080 119.914 0.148 0.000 2.435 73 V HA 0.640 4.760 4.120 -0.000 0.000 0.290 73 V C 0.206 176.325 176.094 0.041 0.000 1.030 73 V CA -0.686 61.703 62.300 0.148 0.000 0.881 73 V CB 1.279 33.211 31.823 0.182 0.000 0.983 73 V HN 1.072 nan 8.190 nan 0.000 0.445 77 L N 1.362 122.622 121.223 0.062 0.000 2.362 77 L HA 0.471 4.811 4.340 -0.000 0.000 0.271 77 L C 1.561 178.486 176.870 0.091 0.000 1.002 77 L CA -0.817 54.068 54.840 0.075 0.000 0.818 77 L CB 2.368 44.449 42.059 0.036 0.000 1.298 77 L HN 0.754 nan 8.230 nan 0.000 0.420 78 S N 0.170 115.922 115.700 0.086 0.000 2.496 78 S HA 0.164 4.634 4.470 -0.000 0.000 0.224 78 S C 0.542 175.167 174.600 0.042 0.000 0.996 78 S CA 0.162 58.400 58.200 0.064 0.000 0.927 78 S CB 0.053 63.284 63.200 0.052 0.000 0.774 78 S HN 0.478 nan 8.310 nan 0.000 0.524 79 K N 1.220 121.644 120.400 0.040 0.000 2.443 79 K HA 0.425 4.745 4.320 -0.000 0.000 0.251 79 K C -0.763 175.854 176.600 0.028 0.000 0.972 79 K CA -0.554 55.751 56.287 0.029 0.000 0.833 79 K CB 0.949 33.467 32.500 0.029 0.000 1.317 79 K HN 0.000 nan 8.250 nan 0.000 0.441 80 T N 4.277 118.845 114.554 0.022 0.000 2.908 80 T HA 0.082 4.432 4.350 -0.000 0.000 0.301 80 T C -1.923 172.791 174.700 0.024 0.000 1.019 80 T CA -0.481 61.632 62.100 0.020 0.000 1.152 80 T CB 0.012 68.890 68.868 0.016 0.000 0.966 80 T HN 0.342 nan 8.240 nan 0.000 0.540 81 P HA 0.219 nan 4.420 nan 0.000 0.274 81 P C -0.318 176.995 177.300 0.022 0.000 1.246 81 P CA -0.588 62.524 63.100 0.020 0.000 0.795 81 P CB 0.692 32.398 31.700 0.011 0.000 1.006 82 N N -0.687 118.027 118.700 0.023 0.000 2.491 82 N HA 0.201 4.941 4.740 -0.000 0.000 0.279 82 N C 1.472 176.990 175.510 0.013 0.000 1.236 82 N CA -0.430 52.633 53.050 0.022 0.000 0.982 82 N CB -0.592 37.910 38.487 0.026 0.000 1.194 82 N HN 0.298 nan 8.380 nan 0.000 0.582 83 T N 0.348 114.909 114.554 0.011 0.000 2.699 83 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 83 T C 1.334 176.036 174.700 0.003 0.000 1.036 83 T CA 1.897 64.001 62.100 0.006 0.000 1.147 83 T CB -0.245 68.627 68.868 0.006 0.000 0.862 83 T HN 0.630 nan 8.240 nan 0.000 0.446 84 A N 0.917 123.738 122.820 0.002 0.000 2.307 84 A HA 0.295 4.615 4.320 -0.000 0.000 0.218 84 A C 1.087 178.669 177.584 -0.003 0.000 1.228 84 A CA -0.142 51.894 52.037 -0.002 0.000 0.857 84 A CB -0.317 18.681 19.000 -0.004 0.000 0.897 84 A HN 0.357 nan 8.150 nan 0.000 0.495 85 T N 2.184 116.737 114.554 -0.001 0.000 2.902 85 T HA 0.381 4.731 4.350 -0.000 0.000 0.301 85 T C 0.292 174.987 174.700 -0.009 0.000 1.012 85 T CA 1.022 63.120 62.100 -0.003 0.000 1.151 85 T CB 0.194 69.063 68.868 0.002 0.000 0.946 85 T HN 0.741 nan 8.240 nan 0.000 0.542 86 S N 0.779 116.471 115.700 -0.014 0.000 2.567 86 S HA 0.842 5.312 4.470 -0.000 0.000 0.270 86 S C -1.249 173.333 174.600 -0.030 0.000 1.152 86 S CA -0.700 57.487 58.200 -0.022 0.000 0.835 86 S CB 1.826 65.014 63.200 -0.019 0.000 1.115 86 S HN 1.204 nan 8.310 nan 0.000 0.459 87 A N 1.203 123.998 122.820 -0.041 0.000 2.586 87 A HA 0.830 5.149 4.320 -0.000 0.000 0.291 87 A C -1.590 175.951 177.584 -0.072 0.000 1.062 87 A CA -1.007 50.996 52.037 -0.056 0.000 0.666 87 A CB 1.249 20.211 19.000 -0.063 0.000 1.281 87 A HN 0.855 nan 8.150 nan 0.000 0.421 88 K N -0.394 119.950 120.400 -0.093 0.000 2.395 88 K HA 0.787 5.107 4.320 -0.000 0.000 0.245 88 K C -0.762 175.728 176.600 -0.184 0.000 1.017 88 K CA -0.813 55.397 56.287 -0.128 0.000 0.852 88 K CB 2.343 34.778 32.500 -0.108 0.000 1.311 88 K HN 1.057 nan 8.250 nan 0.000 0.452 89 V N -1.594 118.144 119.914 -0.293 0.000 2.864 89 V HA 0.739 4.859 4.120 -0.000 0.000 0.314 89 V C -1.072 174.730 176.094 -0.488 0.000 1.073 89 V CA -0.808 61.257 62.300 -0.391 0.000 0.956 89 V CB 1.514 33.043 31.823 -0.489 0.000 1.023 89 V HN 0.910 nan 8.190 nan 0.000 0.435 90 K N 2.545 122.755 120.400 -0.317 0.000 2.536 90 K HA 0.675 4.995 4.320 -0.000 0.000 0.269 90 K C -1.310 175.324 176.600 0.057 0.000 0.965 90 K CA -1.016 55.190 56.287 -0.134 0.000 0.860 90 K CB 2.415 34.892 32.500 -0.038 0.000 1.423 90 K HN 0.663 nan 8.250 nan 0.000 0.438 91 I N 1.616 122.328 120.570 0.236 0.000 2.556 91 I HA 0.017 4.187 4.170 -0.000 0.000 0.284 91 I C -0.365 175.862 176.117 0.183 0.000 1.114 91 I CA 0.165 61.614 61.300 0.247 0.000 1.418 91 I CB 0.530 38.683 38.000 0.256 0.000 1.394 91 I HN 0.647 nan 8.210 nan 0.000 0.552 92 D N 5.575 126.102 120.400 0.212 0.000 2.432 92 D HA 0.396 5.036 4.640 -0.000 0.000 0.265 92 D C 0.693 177.131 176.300 0.229 0.000 1.160 92 D CA -0.410 53.726 54.000 0.226 0.000 0.911 92 D CB 1.425 42.415 40.800 0.317 0.000 1.052 92 D HN 0.572 nan 8.370 nan 0.000 0.508 93 A N 2.898 125.823 122.820 0.175 0.000 1.933 93 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 93 A C 2.163 179.832 177.584 0.143 0.000 1.175 93 A CA 1.711 53.839 52.037 0.152 0.000 0.628 93 A CB -0.436 18.635 19.000 0.119 0.000 0.814 93 A HN 0.570 nan 8.150 nan 0.000 0.444 94 A N -1.582 121.324 122.820 0.144 0.000 1.978 94 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 94 A C 2.077 179.738 177.584 0.129 0.000 1.170 94 A CA 1.697 53.809 52.037 0.125 0.000 0.636 94 A CB -0.759 18.317 19.000 0.126 0.000 0.810 94 A HN 0.746 nan 8.150 nan 0.000 0.448 95 Y N -0.326 119.991 120.300 0.027 0.000 2.352 95 Y HA -0.089 4.461 4.550 -0.000 0.000 0.292 95 Y C 1.873 177.780 175.900 0.012 0.000 1.136 95 Y CA 1.264 59.319 58.100 -0.076 0.000 1.227 95 Y CB -0.192 38.042 38.460 -0.377 0.000 0.991 95 Y HN 0.252 nan 8.280 nan 0.000 0.545 96 L N 1.341 122.586 121.223 0.035 0.000 2.079 96 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 96 L C 2.376 179.252 176.870 0.010 0.000 1.081 96 L CA 2.585 57.444 54.840 0.031 0.000 0.752 96 L CB -1.473 40.649 42.059 0.105 0.000 0.896 96 L HN 0.406 nan 8.230 nan 0.000 0.433 97 E N -1.487 118.708 120.200 -0.009 0.000 2.077 97 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 97 E C 2.068 178.624 176.600 -0.073 0.000 0.989 97 E CA 1.974 58.362 56.400 -0.020 0.000 0.800 97 E CB -1.573 28.125 29.700 -0.004 0.000 0.746 97 E HN 0.636 nan 8.360 nan 0.000 0.452 98 T N -0.718 113.741 114.554 -0.159 0.000 2.708 98 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 98 T C 1.863 176.411 174.700 -0.252 0.000 1.037 98 T CA 1.269 63.237 62.100 -0.220 0.000 1.146 98 T CB -0.498 68.186 68.868 -0.306 0.000 0.865 98 T HN 0.574 nan 8.240 nan 0.000 0.435 99 Y N 2.544 122.538 120.300 -0.511 0.000 2.114 99 Y HA -0.182 4.368 4.550 0.000 0.000 0.284 99 Y C 2.370 178.274 175.900 0.007 0.000 1.143 99 Y CA 1.391 59.339 58.100 -0.252 0.000 1.135 99 Y CB -0.388 37.911 38.460 -0.269 0.000 0.980 99 Y HN 0.088 nan 8.280 nan 0.000 0.499 100 N N 0.425 119.188 118.700 0.105 0.000 2.120 100 N HA -0.203 4.537 4.740 -0.000 0.000 0.188 100 N C 2.081 177.533 175.510 -0.096 0.000 1.024 100 N CA 2.178 55.234 53.050 0.010 0.000 0.852 100 N CB -0.542 37.952 38.487 0.011 0.000 1.003 100 N HN 0.541 nan 8.380 nan 0.000 0.424 101 K N 1.073 121.414 120.400 -0.099 0.000 2.057 101 K HA 0.104 4.424 4.320 -0.000 0.000 0.207 101 K C 2.186 178.689 176.600 -0.162 0.000 1.049 101 K CA 1.521 57.739 56.287 -0.114 0.000 0.931 101 K CB -1.121 31.326 32.500 -0.090 0.000 0.714 101 K HN 0.311 nan 8.250 nan 0.000 0.440 102 A N 0.276 122.961 122.820 -0.225 0.000 1.930 102 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 102 A C 2.077 179.356 177.584 -0.507 0.000 1.175 102 A CA 1.480 53.310 52.037 -0.345 0.000 0.627 102 A CB -0.431 18.330 19.000 -0.399 0.000 0.815 102 A HN 0.734 nan 8.150 nan 0.000 0.443 103 H N -1.959 116.922 119.070 -0.315 0.000 2.551 103 H HA 0.057 4.613 4.556 -0.000 0.000 0.271 103 H C 0.386 175.589 175.328 -0.209 0.000 0.984 103 H CA 0.437 56.313 56.048 -0.286 0.000 1.164 103 H CB 0.109 29.630 29.762 -0.402 0.000 1.437 103 H HN 0.566 nan 8.280 nan 0.000 0.550 104 N N 2.001 120.626 118.700 -0.126 0.000 2.740 104 N HA -0.159 4.581 4.740 -0.000 0.000 0.248 104 N C -0.407 175.010 175.510 -0.156 0.000 1.062 104 N CA 0.983 53.960 53.050 -0.122 0.000 0.704 104 N CB -1.021 37.405 38.487 -0.101 0.000 0.968 104 N HN 0.534 nan 8.380 nan 0.000 0.547 105 T N -4.020 110.407 114.554 -0.213 0.000 2.905 105 T HA 0.597 4.947 4.350 -0.000 0.000 0.283 105 T C -0.156 174.305 174.700 -0.400 0.000 1.031 105 T CA -0.577 61.274 62.100 -0.415 0.000 1.002 105 T CB 2.110 70.543 68.868 -0.725 0.000 1.200 105 T HN 0.008 nan 8.240 nan 0.000 0.560 106 D N -0.396 119.663 120.400 -0.568 0.000 3.078 106 D HA 0.302 4.942 4.640 -0.000 0.000 0.363 106 D C -1.218 174.937 176.300 -0.242 0.000 1.391 106 D CA -0.600 53.220 54.000 -0.300 0.000 0.754 106 D CB -0.429 40.258 40.800 -0.188 0.000 1.238 106 D HN 0.340 nan 8.370 nan 0.000 0.500 107 F N 1.387 121.337 119.950 -0.001 0.000 2.538 107 F HA 0.458 4.984 4.527 -0.000 0.000 0.371 107 F C 1.422 177.202 175.800 -0.033 0.000 1.087 107 F CA -0.709 57.270 58.000 -0.035 0.000 1.250 107 F CB 0.236 39.245 39.000 0.014 0.000 1.110 107 F HN 0.031 nan 8.300 nan 0.000 0.570 108 A N 3.518 126.387 122.820 0.082 0.000 2.332 108 A HA 0.495 4.814 4.320 -0.000 0.000 0.258 108 A C -0.638 177.084 177.584 0.230 0.000 1.087 108 A CA -0.643 51.446 52.037 0.086 0.000 0.802 108 A CB 0.363 19.351 19.000 -0.019 0.000 1.042 108 A HN 0.732 nan 8.150 nan 0.000 0.489 109 L N 1.259 122.626 121.223 0.241 0.000 2.319 109 L HA 0.309 4.649 4.340 -0.000 0.000 0.280 109 L C -0.267 176.806 176.870 0.339 0.000 1.099 109 L CA -0.048 54.945 54.840 0.256 0.000 0.828 109 L CB 0.171 42.331 42.059 0.168 0.000 1.150 109 L HN 0.625 nan 8.230 nan 0.000 0.442 110 Y N 7.167 127.582 120.300 0.191 0.000 2.597 110 Y HA 0.207 4.757 4.550 -0.000 0.000 0.336 110 Y C -1.851 174.040 175.900 -0.015 0.000 1.216 110 Y CA -1.696 56.429 58.100 0.042 0.000 1.463 110 Y CB 0.206 38.664 38.460 -0.004 0.000 1.303 110 Y HN 0.580 nan 8.280 nan 0.000 0.576 111 P HA -0.020 nan 4.420 nan 0.000 0.262 111 P C -0.108 177.095 177.300 -0.162 0.000 1.199 111 P CA 0.529 63.431 63.100 -0.330 0.000 0.763 111 P CB 0.527 31.950 31.700 -0.461 0.000 0.790 112 Q N 1.792 121.567 119.800 -0.041 0.000 2.170 112 Q HA -0.165 4.175 4.340 -0.000 0.000 0.203 112 Q C 0.838 176.829 176.000 -0.016 0.000 0.976 112 Q CA 1.244 57.056 55.803 0.015 0.000 0.858 112 Q CB -0.091 28.674 28.738 0.045 0.000 0.907 112 Q HN 0.557 nan 8.270 nan 0.000 0.433 113 D N 0.490 120.861 120.400 -0.048 0.000 2.350 113 D HA -0.080 4.560 4.640 -0.000 0.000 0.216 113 D C 1.424 177.689 176.300 -0.058 0.000 0.968 113 D CA 0.743 54.715 54.000 -0.047 0.000 0.894 113 D CB 0.123 40.894 40.800 -0.048 0.000 0.909 113 D HN 0.289 nan 8.370 nan 0.000 0.520 114 L N 0.420 121.601 121.223 -0.071 0.000 2.591 114 L HA 0.072 4.412 4.340 -0.000 0.000 0.228 114 L C 0.235 177.107 176.870 0.003 0.000 1.133 114 L CA 0.073 54.894 54.840 -0.032 0.000 0.880 114 L CB 0.488 42.520 42.059 -0.045 0.000 1.033 114 L HN -0.237 nan 8.230 nan 0.000 0.450 115 V N -0.514 119.370 119.914 -0.049 0.000 2.409 115 V HA 0.340 4.460 4.120 -0.000 0.000 0.291 115 V C -0.137 175.782 176.094 -0.291 0.000 1.020 115 V CA -0.361 61.832 62.300 -0.178 0.000 0.848 115 V CB 1.610 33.328 31.823 -0.176 0.000 0.990 115 V HN 0.031 nan 8.190 nan 0.000 0.430 116 T N 5.484 119.828 114.554 -0.350 0.000 2.824 116 T HA 0.659 5.009 4.350 -0.000 0.000 0.282 116 T C -0.746 173.715 174.700 -0.398 0.000 0.993 116 T CA -0.211 61.718 62.100 -0.284 0.000 0.967 116 T CB 0.904 69.695 68.868 -0.128 0.000 0.960 116 T HN 0.253 nan 8.240 nan 0.000 0.441 117 F N 1.993 121.937 119.950 -0.010 0.000 2.420 117 F HA 0.623 5.150 4.527 -0.000 0.000 0.342 117 F C 0.910 176.702 175.800 -0.012 0.000 1.113 117 F CA -1.184 56.809 58.000 -0.013 0.000 1.059 117 F CB 0.825 39.821 39.000 -0.006 0.000 1.128 117 F HN 0.659 nan 8.300 nan 0.000 0.475 118 A N 2.884 125.801 122.820 0.162 0.000 2.498 118 A HA 0.203 4.523 4.320 -0.000 0.000 0.239 118 A C 0.532 178.171 177.584 0.091 0.000 1.068 118 A CA -0.111 51.980 52.037 0.089 0.000 0.766 118 A CB -0.648 18.384 19.000 0.054 0.000 1.003 118 A HN 1.034 nan 8.150 nan 0.000 0.497 119 N N 0.200 118.935 118.700 0.058 0.000 2.758 119 N HA -0.162 4.578 4.740 -0.000 0.000 0.248 119 N C -0.433 175.103 175.510 0.045 0.000 1.076 119 N CA 0.652 53.726 53.050 0.041 0.000 0.696 119 N CB -1.339 37.163 38.487 0.025 0.000 0.979 119 N HN 0.819 nan 8.380 nan 0.000 0.550 120 E N -1.828 118.413 120.200 0.069 0.000 2.365 120 E HA -0.239 4.111 4.350 -0.000 0.000 0.237 120 E C 1.244 177.871 176.600 0.046 0.000 1.238 120 E CA 1.552 57.996 56.400 0.074 0.000 0.718 120 E CB -1.693 28.032 29.700 0.042 0.000 1.218 120 E HN 0.856 nan 8.360 nan 0.000 0.387 121 G N -1.247 107.585 108.800 0.054 0.000 2.157 121 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.248 121 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.248 121 G C 0.344 175.169 174.900 -0.125 0.000 0.979 121 G CA -0.029 44.998 45.100 -0.121 0.000 0.650 121 G HN 0.426 nan 8.290 nan 0.000 0.529 122 I N 1.379 121.918 120.570 -0.051 0.000 2.533 122 I HA 0.256 4.426 4.170 -0.000 0.000 0.284 122 I C 1.087 177.177 176.117 -0.045 0.000 1.109 122 I CA -0.331 60.939 61.300 -0.049 0.000 1.412 122 I CB 0.698 38.684 38.000 -0.023 0.000 1.396 122 I HN 0.015 nan 8.210 nan 0.000 0.543 123 L N 6.422 127.610 121.223 -0.058 0.000 2.349 123 L HA 0.225 4.565 4.340 -0.000 0.000 0.275 123 L C 0.373 177.225 176.870 -0.030 0.000 1.115 123 L CA -0.185 54.626 54.840 -0.047 0.000 0.820 123 L CB 0.648 42.670 42.059 -0.062 0.000 1.135 123 L HN 0.548 nan 8.230 nan 0.000 0.445 124 T N 2.964 117.506 114.554 -0.020 0.000 2.723 124 T HA 0.237 4.586 4.350 -0.000 0.000 0.297 124 T C 0.109 174.800 174.700 -0.015 0.000 0.925 124 T CA -0.407 61.685 62.100 -0.013 0.000 1.030 124 T CB 0.731 69.595 68.868 -0.007 0.000 0.905 124 T HN 0.182 nan 8.240 nan 0.000 0.502 125 V N 5.167 125.073 119.914 -0.014 0.000 2.488 125 V HA 0.223 4.343 4.120 -0.000 0.000 0.277 125 V C 0.608 176.697 176.094 -0.008 0.000 1.046 125 V CA -0.752 61.540 62.300 -0.013 0.000 0.986 125 V CB 0.734 32.550 31.823 -0.012 0.000 0.989 125 V HN 0.744 nan 8.190 nan 0.000 0.475 126 N N 4.251 122.946 118.700 -0.007 0.000 2.501 126 N HA 0.372 5.112 4.740 -0.000 0.000 0.245 126 N C 0.709 176.219 175.510 -0.000 0.000 0.974 126 N CA 0.122 53.170 53.050 -0.003 0.000 0.941 126 N CB 1.814 40.299 38.487 -0.003 0.000 1.122 126 N HN 0.651 nan 8.380 nan 0.000 0.507 127 A N 4.225 127.046 122.820 0.002 0.000 1.902 127 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 127 A C 1.667 179.254 177.584 0.006 0.000 1.181 127 A CA 1.246 53.286 52.037 0.005 0.000 0.623 127 A CB -0.297 18.706 19.000 0.005 0.000 0.818 127 A HN 0.728 nan 8.150 nan 0.000 0.443 128 N N -0.928 117.775 118.700 0.005 0.000 2.381 128 N HA -0.074 4.666 4.740 -0.000 0.000 0.182 128 N C 1.280 176.794 175.510 0.007 0.000 1.025 128 N CA 1.616 54.669 53.050 0.006 0.000 0.888 128 N CB -0.336 38.153 38.487 0.004 0.000 0.965 128 N HN 0.477 nan 8.380 nan 0.000 0.438 129 T N -0.239 114.319 114.554 0.007 0.000 3.129 129 T HA 0.146 4.496 4.350 -0.000 0.000 0.267 129 T C -0.169 174.538 174.700 0.011 0.000 1.018 129 T CA -0.334 61.771 62.100 0.009 0.000 0.903 129 T CB -0.184 68.687 68.868 0.006 0.000 1.067 129 T HN 0.090 nan 8.240 nan 0.000 0.549 130 K N 1.633 122.040 120.400 0.011 0.000 3.148 130 K HA -0.144 4.176 4.320 -0.000 0.000 0.267 130 K C -0.347 176.258 176.600 0.008 0.000 0.996 130 K CA 0.660 56.956 56.287 0.015 0.000 0.737 130 K CB -2.126 30.390 32.500 0.027 0.000 1.308 130 K HN 0.594 nan 8.250 nan 0.000 0.470 131 S N -1.788 113.909 115.700 -0.004 0.000 2.615 131 S HA 0.856 5.326 4.470 -0.000 0.000 0.269 131 S C -1.454 173.130 174.600 -0.026 0.000 1.161 131 S CA -0.568 57.619 58.200 -0.023 0.000 0.817 131 S CB 2.560 65.744 63.200 -0.026 0.000 1.131 131 S HN 0.641 nan 8.310 nan 0.000 0.467 132 A N 0.800 123.595 122.820 -0.041 0.000 2.520 132 A HA 0.878 5.198 4.320 -0.000 0.000 0.298 132 A C -0.871 176.688 177.584 -0.041 0.000 1.051 132 A CA -0.497 51.519 52.037 -0.036 0.000 0.690 132 A CB 1.538 20.515 19.000 -0.040 0.000 1.281 132 A HN 1.221 nan 8.150 nan 0.000 0.402 133 E N 0.182 120.366 120.200 -0.026 0.000 2.413 133 E HA 0.742 5.092 4.350 -0.000 0.000 0.277 133 E C -2.040 174.559 176.600 -0.002 0.000 0.958 133 E CA -0.910 55.481 56.400 -0.015 0.000 0.779 133 E CB 2.193 31.889 29.700 -0.006 0.000 1.278 133 E HN 1.019 nan 8.360 nan 0.000 0.456 134 V N 1.095 121.021 119.914 0.019 0.000 2.888 134 V HA 0.312 4.432 4.120 -0.000 0.000 0.309 134 V C -0.916 175.234 176.094 0.093 0.000 1.114 134 V CA -0.442 61.886 62.300 0.047 0.000 0.940 134 V CB 2.016 33.858 31.823 0.031 0.000 1.021 134 V HN 0.862 nan 8.190 nan 0.000 0.426 138 I N 3.047 123.559 120.570 -0.096 0.000 2.355 138 I HA 0.477 4.646 4.170 -0.000 0.000 0.288 138 I C 0.378 176.488 176.117 -0.012 0.000 0.999 138 I CA -0.726 60.521 61.300 -0.089 0.000 1.163 138 I CB 1.407 39.300 38.000 -0.177 0.000 1.316 138 I HN 0.288 nan 8.210 nan 0.000 0.454 139 R N 4.222 124.736 120.500 0.024 0.000 2.428 139 R HA 0.696 5.036 4.340 -0.000 0.000 0.294 139 R C -0.149 176.202 176.300 0.085 0.000 1.000 139 R CA -0.645 55.474 56.100 0.031 0.000 0.960 139 R CB 1.744 32.045 30.300 0.001 0.000 1.076 139 R HN 0.721 nan 8.270 nan 0.000 0.475 140 A N 1.522 124.370 122.820 0.047 0.000 2.407 140 A HA 0.553 4.873 4.320 -0.000 0.000 0.248 140 A C 0.236 177.817 177.584 -0.005 0.000 1.082 140 A CA -0.006 52.060 52.037 0.049 0.000 0.785 140 A CB 0.696 19.700 19.000 0.006 0.000 1.020 140 A HN 0.790 nan 8.150 nan 0.000 0.489 141 G N -1.319 107.451 108.800 -0.051 0.000 2.685 141 G HA2 0.558 4.518 3.960 -0.000 0.000 0.298 141 G HA3 0.558 4.518 3.960 -0.000 0.000 0.298 141 G C 0.370 175.209 174.900 -0.103 0.000 1.277 141 G CA 0.488 45.517 45.100 -0.119 0.000 0.986 141 G HN 0.932 nan 8.290 nan 0.000 0.487 142 E N -0.841 119.301 120.200 -0.097 0.000 2.216 142 E HA 0.167 4.517 4.350 -0.000 0.000 0.192 142 E C 2.193 178.751 176.600 -0.070 0.000 0.973 142 E CA 1.003 57.362 56.400 -0.069 0.000 0.851 142 E CB -0.447 29.223 29.700 -0.051 0.000 0.804 142 E HN 0.846 nan 8.360 nan 0.000 0.477 143 G N 0.317 109.060 108.800 -0.094 0.000 2.848 143 G HA2 0.284 4.244 3.960 -0.000 0.000 0.208 143 G HA3 0.284 4.244 3.960 -0.000 0.000 0.208 143 G C 0.783 175.654 174.900 -0.048 0.000 1.152 143 G CA -0.011 45.049 45.100 -0.068 0.000 0.789 143 G HN 0.405 nan 8.290 nan 0.000 0.531 144 L N 0.222 121.399 121.223 -0.076 0.000 2.436 144 L HA 0.276 4.616 4.340 -0.000 0.000 0.265 144 L C 0.385 177.314 176.870 0.098 0.000 1.168 144 L CA -0.568 54.255 54.840 -0.029 0.000 0.815 144 L CB 0.664 42.613 42.059 -0.183 0.000 1.109 144 L HN 0.089 nan 8.230 nan 0.000 0.462 145 Q N 1.289 121.228 119.800 0.232 0.000 2.314 145 Q HA 0.137 4.477 4.340 -0.000 0.000 0.258 145 Q C -0.352 175.740 176.000 0.154 0.000 0.954 145 Q CA -0.223 55.675 55.803 0.158 0.000 0.890 145 Q CB 1.127 29.942 28.738 0.128 0.000 1.210 145 Q HN 0.442 nan 8.270 nan 0.000 0.410 146 E N 1.783 122.035 120.200 0.087 0.000 2.415 146 E HA -0.134 4.216 4.350 -0.000 0.000 0.262 146 E C -0.422 176.218 176.600 0.066 0.000 1.038 146 E CA -0.024 56.418 56.400 0.070 0.000 0.921 146 E CB 0.395 30.120 29.700 0.042 0.000 0.950 146 E HN 0.598 nan 8.360 nan 0.000 0.438 147 D N 1.698 122.136 120.400 0.063 0.000 2.800 147 D HA -0.154 4.486 4.640 -0.000 0.000 0.232 147 D C -1.376 174.949 176.300 0.041 0.000 1.137 147 D CA 0.915 54.942 54.000 0.045 0.000 0.718 147 D CB -0.418 40.400 40.800 0.030 0.000 1.084 147 D HN 0.247 nan 8.370 nan 0.000 0.432 148 K N -0.244 120.193 120.400 0.063 0.000 2.371 148 K HA 0.518 4.838 4.320 -0.000 0.000 0.251 148 K C -0.282 176.315 176.600 -0.004 0.000 0.934 148 K CA -0.582 55.698 56.287 -0.012 0.000 0.798 148 K CB 1.773 34.200 32.500 -0.122 0.000 1.204 148 K HN -0.062 nan 8.250 nan 0.000 0.427 149 T N 2.574 117.103 114.554 -0.042 0.000 2.771 149 T HA 0.437 4.787 4.350 -0.000 0.000 0.291 149 T C -0.549 174.073 174.700 -0.131 0.000 0.954 149 T CA -0.172 61.903 62.100 -0.041 0.000 1.045 149 T CB 0.080 68.893 68.868 -0.092 0.000 0.917 149 T HN 0.202 nan 8.240 nan 0.000 0.484 150 Y N 0.896 121.197 120.300 0.001 0.000 2.528 150 Y HA 0.645 5.195 4.550 0.000 0.000 0.335 150 Y C 0.312 176.191 175.900 -0.035 0.000 1.093 150 Y CA -1.159 56.991 58.100 0.084 0.000 1.134 150 Y CB 1.512 40.132 38.460 0.267 0.000 1.253 150 Y HN 0.725 nan 8.280 nan 0.000 0.478 151 A N 2.472 125.406 122.820 0.189 0.000 2.350 151 A HA 0.813 5.133 4.320 -0.000 0.000 0.324 151 A C -1.136 176.527 177.584 0.131 0.000 1.118 151 A CA -0.694 51.370 52.037 0.046 0.000 0.783 151 A CB 0.464 19.468 19.000 0.007 0.000 1.236 151 A HN 0.723 nan 8.150 nan 0.000 0.457 152 I N 3.520 124.146 120.570 0.093 0.000 2.464 152 I HA 0.295 4.465 4.170 -0.000 0.000 0.277 152 I C -2.439 173.793 176.117 0.191 0.000 1.040 152 I CA -1.914 59.484 61.300 0.162 0.000 1.153 152 I CB 1.944 40.024 38.000 0.132 0.000 1.274 152 I HN 0.368 nan 8.210 nan 0.000 0.469 153 P HA 0.240 nan 4.420 nan 0.000 0.287 153 P C -0.574 176.887 177.300 0.267 0.000 1.294 153 P CA -0.245 62.987 63.100 0.221 0.000 0.776 153 P CB 1.657 33.526 31.700 0.280 0.000 0.889 154 V N 3.314 123.378 119.914 0.250 0.000 2.495 154 V HA 0.727 4.847 4.120 -0.000 0.000 0.298 154 V C 0.318 176.453 176.094 0.069 0.000 1.031 154 V CA -0.775 61.646 62.300 0.202 0.000 0.871 154 V CB 1.577 33.555 31.823 0.258 0.000 0.988 154 V HN 0.702 nan 8.190 nan 0.000 0.432 155 A N 4.777 127.563 122.820 -0.057 0.000 2.350 155 A HA 0.846 5.166 4.320 -0.000 0.000 0.324 155 A C -0.488 176.944 177.584 -0.254 0.000 1.118 155 A CA -0.750 51.087 52.037 -0.333 0.000 0.783 155 A CB 0.790 19.581 19.000 -0.348 0.000 1.236 155 A HN 0.790 nan 8.150 nan 0.000 0.457 156 I N 2.269 122.672 120.570 -0.279 0.000 2.710 156 I HA 0.210 4.380 4.170 -0.000 0.000 0.286 156 I C 0.848 176.866 176.117 -0.166 0.000 1.181 156 I CA 0.838 62.021 61.300 -0.195 0.000 1.430 156 I CB 0.730 38.635 38.000 -0.158 0.000 1.367 156 I HN 0.724 nan 8.210 nan 0.000 0.577 157 S N 3.177 118.801 115.700 -0.128 0.000 2.564 157 S HA 0.418 4.888 4.470 -0.000 0.000 0.274 157 S C -0.493 174.065 174.600 -0.070 0.000 1.124 157 S CA -0.841 57.305 58.200 -0.090 0.000 0.869 157 S CB 2.041 65.193 63.200 -0.080 0.000 1.105 157 S HN 0.700 nan 8.310 nan 0.000 0.472 158 D N 1.026 121.397 120.400 -0.048 0.000 2.772 158 D HA -0.122 4.518 4.640 -0.000 0.000 0.233 158 D C 0.285 176.563 176.300 -0.037 0.000 1.143 158 D CA 1.516 55.495 54.000 -0.036 0.000 0.700 158 D CB -0.889 39.890 40.800 -0.035 0.000 1.076 158 D HN 0.820 nan 8.370 nan 0.000 0.430 159 Q N -0.260 119.516 119.800 -0.039 0.000 2.373 159 Q HA 0.303 4.643 4.340 -0.000 0.000 0.255 159 Q C 0.342 176.329 176.000 -0.022 0.000 0.980 159 Q CA -0.230 55.553 55.803 -0.034 0.000 0.882 159 Q CB 0.888 29.605 28.738 -0.036 0.000 1.249 159 Q HN 0.240 nan 8.270 nan 0.000 0.438 160 S N 1.475 117.164 115.700 -0.019 0.000 2.589 160 S HA 0.039 4.509 4.470 -0.000 0.000 0.265 160 S C 1.151 175.746 174.600 -0.009 0.000 1.342 160 S CA -0.093 58.099 58.200 -0.013 0.000 1.005 160 S CB 0.522 63.716 63.200 -0.011 0.000 0.909 160 S HN 0.777 nan 8.310 nan 0.000 0.555 161 S N 0.233 115.927 115.700 -0.010 0.000 2.447 161 S HA -0.145 4.325 4.470 -0.000 0.000 0.233 161 S C 1.247 175.843 174.600 -0.007 0.000 1.006 161 S CA 0.812 59.006 58.200 -0.010 0.000 0.957 161 S CB -0.723 62.467 63.200 -0.016 0.000 0.773 161 S HN 0.904 nan 8.310 nan 0.000 0.507 162 D N 1.210 121.609 120.400 -0.002 0.000 2.347 162 D HA 0.022 4.662 4.640 -0.000 0.000 0.215 162 D C 0.548 176.862 176.300 0.024 0.000 0.976 162 D CA 0.104 54.111 54.000 0.012 0.000 0.884 162 D CB -0.273 40.538 40.800 0.018 0.000 0.915 162 D HN 0.437 nan 8.370 nan 0.000 0.526 163 I N 1.108 121.687 120.570 0.015 0.000 2.365 163 I HA 0.112 4.282 4.170 -0.000 0.000 0.291 163 I C 0.074 176.203 176.117 0.021 0.000 1.004 163 I CA -0.201 61.110 61.300 0.019 0.000 1.311 163 I CB 1.679 39.683 38.000 0.006 0.000 1.401 163 I HN -0.268 nan 8.210 nan 0.000 0.491 164 T N 7.116 121.689 114.554 0.031 0.000 2.824 164 T HA 0.595 4.945 4.350 -0.000 0.000 0.280 164 T C -0.164 174.557 174.700 0.034 0.000 0.995 164 T CA -0.345 61.774 62.100 0.032 0.000 1.009 164 T CB 1.063 69.955 68.868 0.040 0.000 0.955 164 T HN 0.268 nan 8.240 nan 0.000 0.452 165 I N 3.347 123.934 120.570 0.029 0.000 2.382 165 I HA 0.200 4.370 4.170 -0.000 0.000 0.285 165 I C 1.472 177.614 176.117 0.041 0.000 1.007 165 I CA -0.890 60.430 61.300 0.033 0.000 1.142 165 I CB 1.750 39.756 38.000 0.010 0.000 1.289 165 I HN 0.594 nan 8.210 nan 0.000 0.453 166 K N 2.524 122.954 120.400 0.050 0.000 2.097 166 K HA -0.013 4.307 4.320 -0.000 0.000 0.205 166 K C 0.031 176.665 176.600 0.057 0.000 1.050 166 K CA 1.277 57.593 56.287 0.048 0.000 0.938 166 K CB -0.883 31.643 32.500 0.043 0.000 0.718 166 K HN 0.868 nan 8.250 nan 0.000 0.442 167 D N -3.083 117.360 120.400 0.071 0.000 2.713 167 D HA 0.232 4.872 4.640 -0.000 0.000 0.306 167 D C 0.283 176.655 176.300 0.120 0.000 1.299 167 D CA -0.750 53.304 54.000 0.092 0.000 0.823 167 D CB 0.274 41.131 40.800 0.094 0.000 1.353 167 D HN -0.174 nan 8.370 nan 0.000 0.447 168 E N -0.209 120.092 120.200 0.168 0.000 2.204 168 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 168 E C 0.629 177.397 176.600 0.280 0.000 0.989 168 E CA 1.032 57.584 56.400 0.252 0.000 0.824 168 E CB -0.104 29.794 29.700 0.329 0.000 0.756 168 E HN 0.439 nan 8.360 nan 0.000 0.477 169 D N 0.586 121.134 120.400 0.247 0.000 2.149 169 D HA -0.058 4.581 4.640 -0.000 0.000 0.201 169 D C 1.827 178.239 176.300 0.187 0.000 0.972 169 D CA 1.281 55.431 54.000 0.252 0.000 0.835 169 D CB -0.209 40.745 40.800 0.256 0.000 0.966 169 D HN 0.141 nan 8.370 nan 0.000 0.476 170 A N 0.781 123.690 122.820 0.150 0.000 1.969 170 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 170 A C 2.043 179.677 177.584 0.083 0.000 1.169 170 A CA 1.472 53.598 52.037 0.148 0.000 0.635 170 A CB -0.455 18.621 19.000 0.126 0.000 0.810 170 A HN 0.162 nan 8.150 nan 0.000 0.445 171 K N -1.073 119.330 120.400 0.006 0.000 2.283 171 K HA -0.094 4.226 4.320 -0.000 0.000 0.202 171 K C -0.245 176.099 176.600 -0.426 0.000 1.048 171 K CA 0.843 57.010 56.287 -0.199 0.000 0.948 171 K CB -0.098 32.251 32.500 -0.251 0.000 0.742 171 K HN 0.700 nan 8.250 nan 0.000 0.458 172 H N -1.570 117.389 119.070 -0.185 0.000 2.731 172 H HA 0.347 4.902 4.556 -0.000 0.000 0.368 172 H C -0.574 174.690 175.328 -0.106 0.000 1.168 172 H CA -0.897 54.999 56.048 -0.253 0.000 1.181 172 H CB 1.590 30.928 29.762 -0.707 0.000 1.743 172 H HN 0.277 nan 8.280 nan 0.000 0.547 173 C N 1.186 120.517 119.300 0.052 0.000 2.973 173 C HA 0.862 5.322 4.460 -0.000 0.000 0.329 173 C C -0.355 174.626 174.990 -0.014 0.000 1.327 173 C CA -0.886 58.138 59.018 0.010 0.000 1.632 173 C CB 0.615 28.317 27.740 -0.063 0.000 2.098 173 C HN 0.889 nan 8.230 nan 0.000 0.469 174 I N 0.456 120.932 120.570 -0.157 0.000 2.722 174 I HA 0.569 4.739 4.170 -0.000 0.000 0.295 174 I C -1.766 174.125 176.117 -0.376 0.000 1.161 174 I CA -0.560 60.628 61.300 -0.186 0.000 1.032 174 I CB 1.879 39.710 38.000 -0.282 0.000 1.244 174 I HN 0.837 nan 8.210 nan 0.000 0.421 175 Y N 6.539 126.777 120.300 -0.103 0.000 2.352 175 Y HA 0.559 5.109 4.550 0.000 0.000 0.339 175 Y C -0.577 175.189 175.900 -0.223 0.000 0.992 175 Y CA -0.648 57.367 58.100 -0.141 0.000 1.100 175 Y CB 1.703 40.086 38.460 -0.128 0.000 1.192 175 Y HN 0.261 nan 8.280 nan 0.000 0.458 176 L N 4.928 126.068 121.223 -0.138 0.000 2.301 176 L HA 0.520 4.860 4.340 -0.000 0.000 0.278 176 L C -1.038 175.705 176.870 -0.212 0.000 1.022 176 L CA -0.799 53.876 54.840 -0.275 0.000 0.854 176 L CB 0.823 42.646 42.059 -0.394 0.000 1.226 176 L HN 0.355 nan 8.230 nan 0.000 0.429 177 V N 3.456 123.253 119.914 -0.194 0.000 2.427 177 V HA 0.405 4.525 4.120 -0.000 0.000 0.286 177 V C -0.028 176.008 176.094 -0.097 0.000 1.034 177 V CA -0.718 61.441 62.300 -0.235 0.000 0.893 177 V CB 1.756 33.297 31.823 -0.471 0.000 0.982 177 V HN 0.630 nan 8.190 nan 0.000 0.452 178 K N 2.807 123.126 120.400 -0.135 0.000 2.345 178 K HA 0.475 4.795 4.320 -0.000 0.000 0.255 178 K C -0.783 175.751 176.600 -0.110 0.000 0.934 178 K CA -0.772 55.479 56.287 -0.060 0.000 0.801 178 K CB 2.186 34.641 32.500 -0.076 0.000 1.137 178 K HN 0.705 nan 8.250 nan 0.000 0.424 182 N N 0.960 119.669 118.700 0.014 0.000 2.353 182 N HA 0.133 4.873 4.740 -0.000 0.000 0.185 182 N C 0.222 175.754 175.510 0.038 0.000 1.098 182 N CA 0.735 53.801 53.050 0.026 0.000 0.872 182 N CB 1.170 39.670 38.487 0.020 0.000 0.970 182 N HN 0.173 nan 8.380 nan 0.000 0.467 183 A N 0.044 122.891 122.820 0.044 0.000 3.106 183 A HA 0.543 4.863 4.320 -0.000 0.000 0.306 183 A C 1.363 179.004 177.584 0.094 0.000 1.192 183 A CA -0.453 51.620 52.037 0.060 0.000 0.994 183 A CB -0.446 18.584 19.000 0.050 0.000 1.107 183 A HN 0.163 nan 8.150 nan 0.000 0.585 184 G N -0.782 108.079 108.800 0.101 0.000 3.042 184 G HA2 0.042 4.002 3.960 -0.000 0.000 0.212 184 G HA3 0.042 4.002 3.960 -0.000 0.000 0.212 184 G C 0.519 175.499 174.900 0.134 0.000 1.166 184 G CA 0.423 45.610 45.100 0.145 0.000 0.767 184 G HN 0.410 nan 8.290 nan 0.000 0.546 185 D N 1.271 121.728 120.400 0.094 0.000 2.219 185 D HA -0.011 4.629 4.640 -0.000 0.000 0.205 185 D C 2.561 178.892 176.300 0.052 0.000 0.970 185 D CA 1.015 55.055 54.000 0.067 0.000 0.851 185 D CB 0.054 40.892 40.800 0.063 0.000 0.943 185 D HN 0.331 nan 8.370 nan 0.000 0.488 186 A N -0.372 122.494 122.820 0.077 0.000 2.169 186 A HA -0.074 4.246 4.320 -0.000 0.000 0.212 186 A C 0.602 178.203 177.584 0.028 0.000 1.153 186 A CA -0.100 51.968 52.037 0.052 0.000 0.756 186 A CB -0.415 18.641 19.000 0.093 0.000 0.813 186 A HN 0.211 nan 8.150 nan 0.000 0.471 187 Y N 1.507 121.754 120.300 -0.090 0.000 2.539 187 Y HA 0.347 4.897 4.550 -0.000 0.000 0.352 187 Y C 0.757 176.547 175.900 -0.182 0.000 1.004 187 Y CA -0.230 57.758 58.100 -0.186 0.000 1.278 187 Y CB 0.471 38.761 38.460 -0.283 0.000 1.136 187 Y HN 0.087 nan 8.280 nan 0.000 0.528 188 K N 4.367 124.412 120.400 -0.592 0.000 2.372 188 K HA 0.418 4.738 4.320 -0.000 0.000 0.200 188 K C 0.110 176.393 176.600 -0.528 0.000 1.022 188 K CA 0.394 56.374 56.287 -0.511 0.000 1.125 188 K CB 0.370 32.501 32.500 -0.616 0.000 0.855 188 K HN 0.906 nan 8.250 nan 0.000 0.524 189 G N 1.455 109.626 108.800 -1.049 0.000 2.334 189 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.566 189 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.566 189 G C -1.687 172.860 174.900 -0.588 0.000 1.413 189 G CA -1.031 43.621 45.100 -0.746 0.000 0.993 189 G HN 0.126 nan 8.290 nan 0.000 0.642 190 E N 0.176 120.271 120.200 -0.176 0.000 2.351 190 E HA 0.420 4.770 4.350 -0.000 0.000 0.266 190 E C 1.457 178.050 176.600 -0.012 0.000 1.031 190 E CA 1.115 57.536 56.400 0.035 0.000 0.911 190 E CB -0.001 29.764 29.700 0.110 0.000 0.986 190 E HN 2.301 nan 8.360 nan 0.000 0.446 191 G N 2.888 111.692 108.800 0.006 0.000 2.184 191 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.264 191 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.264 191 G C 0.484 175.354 174.900 -0.050 0.000 0.975 191 G CA 0.359 45.452 45.100 -0.011 0.000 0.642 191 G HN 0.765 nan 8.290 nan 0.000 0.536 195 G N 0.370 108.800 108.800 -0.617 0.000 2.367 195 G HA2 0.575 4.535 3.960 -0.000 0.000 0.314 195 G HA3 0.575 4.535 3.960 -0.000 0.000 0.314 195 G C -1.896 173.214 174.900 0.350 0.000 1.130 195 G CA -0.013 44.661 45.100 -0.709 0.000 0.864 195 G HN 0.425 nan 8.290 nan 0.000 0.486 196 Y N 2.209 122.698 120.300 0.314 0.000 2.327 196 Y HA 0.586 5.136 4.550 -0.000 0.000 0.325 196 Y C -1.311 174.548 175.900 -0.068 0.000 0.999 196 Y CA -1.189 56.982 58.100 0.118 0.000 1.195 196 Y CB 1.828 40.267 38.460 -0.035 0.000 1.132 196 Y HN 0.509 nan 8.280 nan 0.000 0.455 197 L N 6.941 127.923 121.223 -0.402 0.000 2.356 197 L HA 0.631 4.971 4.340 -0.000 0.000 0.277 197 L C -1.951 174.538 176.870 -0.634 0.000 0.996 197 L CA -0.542 53.862 54.840 -0.727 0.000 0.822 197 L CB 0.775 41.995 42.059 -1.398 0.000 1.256 197 L HN 0.459 nan 8.230 nan 0.000 0.413 198 F N 4.755 124.382 119.950 -0.539 0.000 2.408 198 F HA 0.489 5.016 4.527 -0.000 0.000 0.344 198 F C -0.325 174.997 175.800 -0.796 0.000 1.112 198 F CA -0.056 57.631 58.000 -0.522 0.000 1.096 198 F CB 0.995 39.650 39.000 -0.574 0.000 1.129 198 F HN 0.244 nan 8.300 nan 0.000 0.486 199 F N 1.440 121.290 119.950 -0.167 0.000 2.420 199 F HA 0.293 4.820 4.527 -0.000 0.000 0.342 199 F C 0.459 176.197 175.800 -0.104 0.000 1.113 199 F CA -0.858 57.046 58.000 -0.160 0.000 1.059 199 F CB 1.053 40.004 39.000 -0.082 0.000 1.128 199 F HN 0.414 nan 8.300 nan 0.000 0.475 200 E N 2.899 123.096 120.200 -0.004 0.000 1.865 200 E HA 0.091 4.441 4.350 -0.000 0.000 0.269 200 E C 0.955 177.645 176.600 0.150 0.000 1.177 200 E CA -0.180 56.281 56.400 0.102 0.000 0.932 200 E CB 0.801 30.524 29.700 0.039 0.000 1.066 200 E HN 0.648 nan 8.360 nan 0.000 0.405 201 V N 0.816 120.827 119.914 0.163 0.000 3.305 201 V HA -0.166 3.954 4.120 -0.000 0.000 0.269 201 V C 1.354 177.490 176.094 0.069 0.000 1.157 201 V CA 0.825 63.188 62.300 0.105 0.000 1.157 201 V CB -0.302 31.567 31.823 0.077 0.000 0.772 201 V HN 0.460 nan 8.190 nan 0.000 0.498 202 N N 1.735 120.480 118.700 0.075 0.000 2.205 202 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 202 N C 1.246 176.780 175.510 0.041 0.000 1.015 202 N CA 2.026 55.105 53.050 0.049 0.000 0.862 202 N CB -0.102 38.417 38.487 0.054 0.000 0.986 202 N HN 0.666 nan 8.380 nan 0.000 0.429 203 D N -1.177 119.258 120.400 0.058 0.000 2.461 203 D HA 0.153 4.793 4.640 -0.000 0.000 0.266 203 D C -0.059 176.282 176.300 0.068 0.000 1.085 203 D CA 0.208 54.239 54.000 0.052 0.000 0.887 203 D CB 1.169 42.001 40.800 0.054 0.000 1.309 203 D HN -0.133 nan 8.370 nan 0.000 0.498 204 V N 2.007 121.982 119.914 0.102 0.000 2.540 204 V HA 0.265 4.385 4.120 -0.000 0.000 0.302 204 V C -0.068 176.073 176.094 0.078 0.000 1.035 204 V CA -1.137 61.248 62.300 0.142 0.000 0.873 204 V CB 2.095 34.071 31.823 0.254 0.000 0.992 204 V HN 0.010 nan 8.190 nan 0.000 0.428 205 N N 6.767 125.493 118.700 0.042 0.000 2.475 205 N HA 0.172 4.912 4.740 -0.000 0.000 0.267 205 N C -1.382 173.902 175.510 -0.377 0.000 1.169 205 N CA -1.654 51.349 53.050 -0.078 0.000 0.947 205 N CB 1.782 40.291 38.487 0.036 0.000 1.061 205 N HN 0.353 nan 8.380 nan 0.000 0.466 206 P HA -0.069 nan 4.420 nan 0.000 0.230 206 P C 1.428 178.270 177.300 -0.763 0.000 1.158 206 P CA 0.634 62.984 63.100 -1.251 0.000 0.769 206 P CB 0.359 31.612 31.700 -0.745 0.000 0.807 207 L N -0.222 120.688 121.223 -0.522 0.000 2.353 207 L HA -0.114 4.226 4.340 -0.000 0.000 0.220 207 L C 2.092 178.744 176.870 -0.364 0.000 1.133 207 L CA 0.883 55.349 54.840 -0.623 0.000 0.798 207 L CB -0.973 40.366 42.059 -1.200 0.000 0.922 207 L HN 0.025 nan 8.230 nan 0.000 0.445 208 N N -0.364 118.321 118.700 -0.025 0.000 2.513 208 N HA -0.138 4.602 4.740 -0.000 0.000 0.187 208 N C 1.630 177.527 175.510 0.645 0.000 1.056 208 N CA 1.318 54.657 53.050 0.483 0.000 0.907 208 N CB -0.169 38.705 38.487 0.646 0.000 0.954 208 N HN 0.351 nan 8.380 nan 0.000 0.445 209 T N 1.633 116.447 114.554 0.433 0.000 2.685 209 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 209 T C 1.938 176.978 174.700 0.567 0.000 1.034 209 T CA 0.843 63.270 62.100 0.544 0.000 1.149 209 T CB -0.153 68.891 68.868 0.293 0.000 0.860 209 T HN 0.280 nan 8.240 nan 0.000 0.449 210 L N 0.940 122.393 121.223 0.385 0.000 2.465 210 L HA 0.017 4.357 4.340 -0.000 0.000 0.224 210 L C 2.477 179.570 176.870 0.371 0.000 1.145 210 L CA 0.448 55.494 54.840 0.342 0.000 0.834 210 L CB -0.477 41.744 42.059 0.271 0.000 0.944 210 L HN 0.211 nan 8.230 nan 0.000 0.451 211 S N -0.432 115.527 115.700 0.432 0.000 2.481 211 S HA 0.009 4.479 4.470 -0.000 0.000 0.231 211 S C 0.414 175.045 174.600 0.051 0.000 0.996 211 S CA 0.681 58.993 58.200 0.187 0.000 0.942 211 S CB -0.152 63.090 63.200 0.070 0.000 0.768 211 S HN 0.186 nan 8.310 nan 0.000 0.520 212 F N 2.262 122.403 119.950 0.318 0.000 2.293 212 F HA 0.480 5.007 4.527 -0.000 0.000 0.370 212 F C 0.428 176.328 175.800 0.166 0.000 1.090 212 F CA -0.583 57.596 58.000 0.298 0.000 1.133 212 F CB 0.577 39.770 39.000 0.322 0.000 1.360 212 F HN -0.059 nan 8.300 nan 0.000 0.489 213 Q N 2.629 122.577 119.800 0.245 0.000 2.413 213 Q HA 0.626 4.966 4.340 -0.000 0.000 0.276 213 Q C -0.650 175.406 176.000 0.094 0.000 1.099 213 Q CA -1.106 54.777 55.803 0.132 0.000 0.814 213 Q CB 3.171 31.965 28.738 0.094 0.000 1.379 213 Q HN 0.498 nan 8.270 nan 0.000 0.436 214 L N 0.762 122.006 121.223 0.035 0.000 2.475 214 L HA 0.144 4.484 4.340 -0.000 0.000 0.253 214 L C 1.336 178.223 176.870 0.028 0.000 1.198 214 L CA -0.064 54.792 54.840 0.028 0.000 0.814 214 L CB 0.225 42.278 42.059 -0.011 0.000 1.134 214 L HN 0.758 nan 8.230 nan 0.000 0.478 215 E N 0.812 121.029 120.200 0.027 0.000 2.209 215 E HA -0.210 4.139 4.350 -0.000 0.000 0.196 215 E C 1.073 177.682 176.600 0.014 0.000 0.993 215 E CA 1.347 57.759 56.400 0.020 0.000 0.819 215 E CB -0.146 29.565 29.700 0.019 0.000 0.745 215 E HN 0.643 nan 8.360 nan 0.000 0.477 216 N N -0.473 118.233 118.700 0.010 0.000 2.383 216 N HA 0.017 4.757 4.740 -0.000 0.000 0.192 216 N C 1.082 176.594 175.510 0.003 0.000 1.141 216 N CA 0.873 53.926 53.050 0.005 0.000 0.851 216 N CB 0.697 39.184 38.487 -0.001 0.000 0.976 216 N HN 0.165 nan 8.380 nan 0.000 0.465 217 G N -0.510 108.294 108.800 0.008 0.000 2.217 217 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 217 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 217 G C -0.085 174.822 174.900 0.011 0.000 0.990 217 G CA 0.072 45.182 45.100 0.016 0.000 0.627 217 G HN 0.354 nan 8.290 nan 0.000 0.522 218 K N 0.580 120.966 120.400 -0.023 0.000 2.355 218 K HA 0.398 4.718 4.320 -0.000 0.000 0.270 218 K C 0.916 177.493 176.600 -0.038 0.000 1.003 218 K CA -0.238 56.018 56.287 -0.052 0.000 0.957 218 K CB 0.670 33.084 32.500 -0.143 0.000 0.939 218 K HN 0.358 nan 8.250 nan 0.000 0.482 219 L N 3.514 124.730 121.223 -0.013 0.000 2.331 219 L HA 0.022 4.362 4.340 -0.000 0.000 0.278 219 L C 1.786 178.622 176.870 -0.056 0.000 1.106 219 L CA -0.332 54.531 54.840 0.038 0.000 0.824 219 L CB 0.439 42.558 42.059 0.100 0.000 1.142 219 L HN 0.488 nan 8.230 nan 0.000 0.443 220 L N 3.733 124.912 121.223 -0.074 0.000 2.056 220 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 220 L C 0.204 176.878 176.870 -0.328 0.000 1.078 220 L CA 1.428 56.091 54.840 -0.295 0.000 0.749 220 L CB -0.110 41.660 42.059 -0.482 0.000 0.901 220 L HN 0.437 nan 8.230 nan 0.000 0.433 221 W N 0.528 121.859 121.300 0.051 0.000 2.317 221 W HA 0.274 4.934 4.660 0.000 0.000 0.327 221 W C 1.057 177.583 176.519 0.011 0.000 1.036 221 W CA -0.752 56.593 57.345 -0.001 0.000 1.419 221 W CB 0.501 29.926 29.460 -0.059 0.000 1.253 221 W HN 0.062 nan 8.180 nan 0.000 0.392 222 D N 1.292 121.815 120.400 0.205 0.000 2.144 222 D HA -0.092 4.548 4.640 -0.000 0.000 0.200 222 D C 0.219 176.636 176.300 0.195 0.000 0.978 222 D CA 1.309 55.420 54.000 0.185 0.000 0.833 222 D CB 0.137 41.047 40.800 0.183 0.000 0.961 222 D HN -0.012 nan 8.370 nan 0.000 0.470 223 V N 0.647 120.663 119.914 0.171 0.000 2.638 223 V HA 0.467 4.587 4.120 -0.000 0.000 0.306 223 V C -0.431 175.511 176.094 -0.253 0.000 1.052 223 V CA -1.003 61.255 62.300 -0.070 0.000 0.885 223 V CB 2.234 33.934 31.823 -0.206 0.000 0.999 223 V HN -0.010 nan 8.190 nan 0.000 0.424 224 V N 2.857 122.614 119.914 -0.262 0.000 2.823 224 V HA 0.896 5.016 4.120 -0.000 0.000 0.312 224 V C -0.883 175.016 176.094 -0.325 0.000 1.072 224 V CA -0.726 61.413 62.300 -0.270 0.000 0.937 224 V CB 2.108 33.949 31.823 0.029 0.000 1.013 224 V HN 0.506 nan 8.190 nan 0.000 0.430 225 V N 4.706 124.412 119.914 -0.347 0.000 2.495 225 V HA 0.448 4.568 4.120 -0.000 0.000 0.298 225 V C -0.035 176.082 176.094 0.038 0.000 1.031 225 V CA -0.570 61.583 62.300 -0.245 0.000 0.871 225 V CB 1.682 33.205 31.823 -0.501 0.000 0.988 225 V HN 0.847 nan 8.190 nan 0.000 0.432 226 L N 5.301 126.563 121.223 0.065 0.000 2.334 226 L HA 0.375 4.715 4.340 -0.000 0.000 0.286 226 L C -0.526 176.457 176.870 0.188 0.000 1.108 226 L CA 0.121 55.029 54.840 0.112 0.000 0.875 226 L CB -0.225 41.852 42.059 0.031 0.000 1.246 226 L HN 0.541 nan 8.230 nan 0.000 0.439 227 F N 3.990 124.006 119.950 0.111 0.000 2.371 227 F HA 0.661 5.188 4.527 -0.000 0.000 0.363 227 F C 0.196 176.055 175.800 0.100 0.000 1.122 227 F CA -0.389 57.701 58.000 0.151 0.000 1.129 227 F CB 0.724 39.843 39.000 0.199 0.000 1.173 227 F HN 0.469 nan 8.300 nan 0.000 0.489 228 A N 4.305 126.990 122.820 -0.224 0.000 2.594 228 A HA 0.768 5.088 4.320 -0.000 0.000 0.296 228 A C -1.233 176.249 177.584 -0.171 0.000 1.061 228 A CA -0.419 51.435 52.037 -0.305 0.000 0.689 228 A CB 0.482 19.008 19.000 -0.791 0.000 1.280 228 A HN 1.109 nan 8.150 nan 0.000 0.406 229 A N 1.296 124.056 122.820 -0.101 0.000 2.346 229 A HA 0.620 4.940 4.320 -0.000 0.000 0.252 229 A C 0.198 177.756 177.584 -0.043 0.000 1.089 229 A CA -0.012 51.980 52.037 -0.076 0.000 0.797 229 A CB -0.069 18.861 19.000 -0.116 0.000 1.047 229 A HN 0.887 nan 8.150 nan 0.000 0.494 230 N N -1.017 117.680 118.700 -0.005 0.000 2.362 230 N HA 0.545 5.285 4.740 -0.000 0.000 0.299 230 N C -0.908 174.667 175.510 0.108 0.000 1.170 230 N CA -0.575 52.497 53.050 0.037 0.000 0.825 230 N CB 2.084 40.584 38.487 0.022 0.000 1.299 230 N HN 0.667 nan 8.380 nan 0.000 0.502 231 I N 0.952 121.577 120.570 0.092 0.000 2.331 231 I HA 0.355 4.525 4.170 -0.000 0.000 0.292 231 I C -1.058 175.073 176.117 0.024 0.000 0.998 231 I CA -0.131 61.191 61.300 0.036 0.000 1.267 231 I CB 0.300 38.151 38.000 -0.248 0.000 1.386 231 I HN 0.632 nan 8.210 nan 0.000 0.476 232 N N 4.538 123.277 118.700 0.065 0.000 2.525 232 N HA 0.307 5.047 4.740 -0.000 0.000 0.270 232 N C -1.823 173.770 175.510 0.138 0.000 1.321 232 N CA -0.588 52.517 53.050 0.092 0.000 0.797 232 N CB 1.241 39.783 38.487 0.093 0.000 1.529 232 N HN 0.422 nan 8.380 nan 0.000 0.491 233 Y N 1.014 121.324 120.300 0.016 0.000 2.335 233 Y HA 0.193 4.743 4.550 -0.000 0.000 0.331 233 Y C -0.464 175.456 175.900 0.034 0.000 1.094 233 Y CA -0.193 57.917 58.100 0.018 0.000 1.253 233 Y CB 0.597 39.064 38.460 0.011 0.000 1.203 233 Y HN 0.403 nan 8.280 nan 0.000 0.508 234 D N 5.000 125.123 120.400 -0.462 0.000 2.454 234 D HA 0.305 4.945 4.640 -0.000 0.000 0.225 234 D C 0.490 176.375 176.300 -0.692 0.000 1.081 234 D CA 0.136 53.907 54.000 -0.382 0.000 0.864 234 D CB 1.270 41.956 40.800 -0.191 0.000 1.040 234 D HN 0.767 nan 8.370 nan 0.000 0.517 235 A N 4.014 126.548 122.820 -0.477 0.000 1.933 235 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 235 A C 1.907 179.389 177.584 -0.170 0.000 1.175 235 A CA 1.171 53.025 52.037 -0.306 0.000 0.628 235 A CB -0.308 18.702 19.000 0.016 0.000 0.814 235 A HN 0.679 nan 8.150 nan 0.000 0.444 236 E N -0.467 119.656 120.200 -0.129 0.000 2.051 236 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 236 E C 2.140 178.691 176.600 -0.081 0.000 0.991 236 E CA 0.992 57.349 56.400 -0.072 0.000 0.799 236 E CB -0.177 29.494 29.700 -0.048 0.000 0.748 236 E HN 0.582 nan 8.360 nan 0.000 0.449 237 A N -0.248 122.498 122.820 -0.123 0.000 2.067 237 A HA 0.130 4.450 4.320 -0.000 0.000 0.217 237 A C 1.770 179.296 177.584 -0.098 0.000 1.156 237 A CA 1.145 53.127 52.037 -0.092 0.000 0.683 237 A CB -0.292 18.661 19.000 -0.079 0.000 0.808 237 A HN 0.432 nan 8.150 nan 0.000 0.455 238 G N -0.510 108.173 108.800 -0.194 0.000 2.147 238 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 238 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 238 G C 0.145 175.057 174.900 0.020 0.000 1.005 238 G CA 0.720 45.777 45.100 -0.072 0.000 0.713 238 G HN 1.272 nan 8.290 nan 0.000 0.515 239 R N -1.957 118.454 120.500 -0.148 0.000 2.752 239 R HA 0.724 5.064 4.340 -0.000 0.000 0.271 239 R C -3.379 172.930 176.300 0.015 0.000 1.026 239 R CA -2.040 54.090 56.100 0.050 0.000 0.901 239 R CB 0.704 31.036 30.300 0.054 0.000 1.243 239 R HN 0.019 nan 8.270 nan 0.000 0.463 240 P HA 0.178 nan 4.420 nan 0.000 0.272 240 P C -1.188 176.214 177.300 0.170 0.000 1.230 240 P CA -0.410 62.757 63.100 0.112 0.000 0.788 240 P CB 0.562 32.255 31.700 -0.013 0.000 0.949 241 R N -0.516 120.105 120.500 0.201 0.000 2.799 241 R HA 0.646 4.986 4.340 -0.000 0.000 0.270 241 R C -1.470 175.039 176.300 0.348 0.000 1.010 241 R CA -1.146 55.115 56.100 0.268 0.000 0.916 241 R CB 0.424 30.807 30.300 0.139 0.000 1.228 241 R HN 0.039 nan 8.270 nan 0.000 0.469 242 V N 1.675 121.747 119.914 0.264 0.000 2.521 242 V HA 0.099 4.218 4.120 -0.000 0.000 0.286 242 V C -0.020 176.112 176.094 0.064 0.000 1.034 242 V CA 0.226 62.580 62.300 0.090 0.000 1.045 242 V CB 0.858 32.467 31.823 -0.357 0.000 0.974 242 V HN 0.689 nan 8.190 nan 0.000 0.480 243 Q N 4.286 124.117 119.800 0.052 0.000 2.310 243 Q HA 0.444 4.784 4.340 -0.000 0.000 0.270 243 Q C -1.569 174.444 176.000 0.021 0.000 1.025 243 Q CA -0.539 55.297 55.803 0.055 0.000 0.772 243 Q CB 1.687 30.465 28.738 0.065 0.000 1.253 243 Q HN 0.796 nan 8.270 nan 0.000 0.450 244 C N 3.994 123.317 119.300 0.037 0.000 2.303 244 C HA 0.424 4.884 4.460 -0.000 0.000 0.326 244 C C 0.227 175.236 174.990 0.032 0.000 1.285 244 C CA -1.004 58.026 59.018 0.021 0.000 1.675 244 C CB -0.125 27.643 27.740 0.046 0.000 2.289 244 C HN 0.993 nan 8.230 nan 0.000 0.512 245 N N 3.279 121.990 118.700 0.017 0.000 2.326 245 N HA 0.194 4.934 4.740 -0.000 0.000 0.239 245 N C -2.178 173.353 175.510 0.034 0.000 1.301 245 N CA -0.966 52.097 53.050 0.023 0.000 0.909 245 N CB 0.025 38.519 38.487 0.012 0.000 1.156 245 N HN 0.244 nan 8.380 nan 0.000 0.462 246 P HA -0.039 nan 4.420 nan 0.000 0.222 246 P C 0.340 177.684 177.300 0.073 0.000 1.147 246 P CA 0.969 64.103 63.100 0.057 0.000 0.790 246 P CB 0.114 31.843 31.700 0.048 0.000 0.780 247 N N -0.795 117.933 118.700 0.046 0.000 2.135 247 N HA -0.068 4.672 4.740 -0.000 0.000 0.186 247 N C 1.767 177.316 175.510 0.064 0.000 1.027 247 N CA 0.959 54.037 53.050 0.047 0.000 0.849 247 N CB -1.065 37.435 38.487 0.021 0.000 1.002 247 N HN -0.006 nan 8.380 nan 0.000 0.425 248 V N 1.627 121.561 119.914 0.034 0.000 2.287 248 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 248 V C 2.537 178.628 176.094 -0.004 0.000 1.053 248 V CA 1.623 63.929 62.300 0.009 0.000 1.027 248 V CB -0.571 31.245 31.823 -0.011 0.000 0.646 248 V HN 0.247 nan 8.190 nan 0.000 0.447 249 Q N -0.866 118.947 119.800 0.021 0.000 2.170 249 Q HA -0.221 4.119 4.340 -0.000 0.000 0.203 249 Q C 1.994 177.992 176.000 -0.004 0.000 0.976 249 Q CA 1.855 57.657 55.803 -0.002 0.000 0.858 249 Q CB -0.551 28.210 28.738 0.040 0.000 0.907 249 Q HN 0.744 nan 8.270 nan 0.000 0.433 250 Y N -0.193 120.079 120.300 -0.047 0.000 2.181 250 Y HA -0.167 4.383 4.550 -0.000 0.000 0.288 250 Y C 1.588 177.451 175.900 -0.062 0.000 1.146 250 Y CA 1.596 59.672 58.100 -0.040 0.000 1.164 250 Y CB -0.016 38.431 38.460 -0.021 0.000 0.982 250 Y HN 0.117 nan 8.280 nan 0.000 0.515 251 L N -0.668 120.603 121.223 0.081 0.000 2.046 251 L HA -0.261 4.079 4.340 -0.000 0.000 0.208 251 L C 2.356 179.136 176.870 -0.150 0.000 1.077 251 L CA 1.289 56.118 54.840 -0.018 0.000 0.747 251 L CB -0.670 41.379 42.059 -0.017 0.000 0.896 251 L HN 0.290 nan 8.230 nan 0.000 0.432 252 L N -0.609 120.465 121.223 -0.249 0.000 2.056 252 L HA -0.211 4.129 4.340 -0.000 0.000 0.207 252 L C 2.216 178.873 176.870 -0.355 0.000 1.078 252 L CA 1.058 55.585 54.840 -0.522 0.000 0.749 252 L CB -0.664 40.807 42.059 -0.980 0.000 0.901 252 L HN 0.251 nan 8.230 nan 0.000 0.433 253 D N -0.006 120.247 120.400 -0.246 0.000 2.178 253 D HA -0.135 4.505 4.640 -0.000 0.000 0.201 253 D C 1.246 177.444 176.300 -0.169 0.000 0.980 253 D CA 1.095 55.010 54.000 -0.141 0.000 0.842 253 D CB -0.188 40.502 40.800 -0.183 0.000 0.948 253 D HN 0.308 nan 8.370 nan 0.000 0.472 254 N N 0.780 119.327 118.700 -0.254 0.000 2.321 254 N HA -0.007 4.733 4.740 -0.000 0.000 0.242 254 N C 0.945 176.390 175.510 -0.109 0.000 1.141 254 N CA -0.127 52.792 53.050 -0.217 0.000 0.864 254 N CB 0.599 38.871 38.487 -0.359 0.000 1.100 254 N HN 0.049 nan 8.380 nan 0.000 0.510 255 N N 2.378 121.036 118.700 -0.070 0.000 2.069 255 N HA -0.260 4.480 4.740 -0.000 0.000 0.196 255 N C 1.574 177.071 175.510 -0.021 0.000 1.024 255 N CA 1.664 54.698 53.050 -0.027 0.000 0.869 255 N CB 0.042 38.563 38.487 0.056 0.000 1.035 255 N HN 0.209 nan 8.380 nan 0.000 0.434 256 E N -1.011 119.179 120.200 -0.017 0.000 2.153 256 E HA -0.096 4.254 4.350 -0.000 0.000 0.194 256 E C 1.703 178.290 176.600 -0.022 0.000 0.988 256 E CA 1.961 58.352 56.400 -0.014 0.000 0.811 256 E CB -0.449 29.243 29.700 -0.013 0.000 0.746 256 E HN 0.657 nan 8.360 nan 0.000 0.466 257 T N -2.811 111.725 114.554 -0.031 0.000 3.037 257 T HA 0.154 4.503 4.350 -0.000 0.000 0.252 257 T C 1.639 176.313 174.700 -0.042 0.000 1.073 257 T CA 0.249 62.333 62.100 -0.026 0.000 1.091 257 T CB 0.033 68.894 68.868 -0.013 0.000 0.935 257 T HN 0.139 nan 8.240 nan 0.000 0.488 258 L N -0.641 120.550 121.223 -0.053 0.000 2.701 258 L HA 0.495 4.835 4.340 -0.000 0.000 0.238 258 L C 1.721 178.525 176.870 -0.110 0.000 1.106 258 L CA 0.157 54.948 54.840 -0.081 0.000 0.898 258 L CB 0.225 42.262 42.059 -0.037 0.000 1.188 258 L HN 0.188 nan 8.230 nan 0.000 0.508 259 L N -1.999 119.176 121.223 -0.079 0.000 2.678 259 L HA 0.121 4.461 4.340 -0.000 0.000 0.211 259 L C 2.182 179.025 176.870 -0.046 0.000 1.043 259 L CA -0.056 54.741 54.840 -0.072 0.000 0.881 259 L CB -0.212 41.816 42.059 -0.052 0.000 1.361 259 L HN 0.011 nan 8.230 nan 0.000 0.484 260 Q N 0.855 120.638 119.800 -0.027 0.000 2.181 260 Q HA -0.148 4.192 4.340 -0.000 0.000 0.205 260 Q C -0.598 175.394 176.000 -0.012 0.000 0.980 260 Q CA 1.559 57.356 55.803 -0.011 0.000 0.862 260 Q CB -1.450 27.287 28.738 -0.002 0.000 0.905 260 Q HN 0.396 nan 8.270 nan 0.000 0.429 261 P HA -0.119 nan 4.420 nan 0.000 0.218 261 P C 1.424 178.719 177.300 -0.008 0.000 1.148 261 P CA 0.966 64.055 63.100 -0.018 0.000 0.822 261 P CB -0.148 31.530 31.700 -0.038 0.000 0.784 262 L N -1.050 120.160 121.223 -0.022 0.000 2.027 262 L HA -0.119 4.221 4.340 -0.000 0.000 0.206 262 L C 2.585 179.471 176.870 0.025 0.000 1.074 262 L CA 1.531 56.373 54.840 0.003 0.000 0.745 262 L CB -0.706 41.344 42.059 -0.016 0.000 0.898 262 L HN -0.085 nan 8.230 nan 0.000 0.433 263 R N -0.081 120.429 120.500 0.016 0.000 2.115 263 R HA -0.164 4.176 4.340 -0.000 0.000 0.230 263 R C 2.367 178.687 176.300 0.033 0.000 1.111 263 R CA 0.979 57.095 56.100 0.027 0.000 0.976 263 R CB -0.343 29.969 30.300 0.020 0.000 0.870 263 R HN 0.145 nan 8.270 nan 0.000 0.445 264 R N 1.613 122.129 120.500 0.027 0.000 2.120 264 R HA -0.079 4.261 4.340 -0.000 0.000 0.234 264 R C 1.291 177.615 176.300 0.041 0.000 1.123 264 R CA 1.543 57.661 56.100 0.030 0.000 0.975 264 R CB -0.057 30.257 30.300 0.023 0.000 0.866 264 R HN 0.070 nan 8.270 nan 0.000 0.446 265 R N -1.273 119.256 120.500 0.048 0.000 2.388 265 R HA 0.240 4.580 4.340 -0.000 0.000 0.247 265 R C 0.428 176.774 176.300 0.076 0.000 0.931 265 R CA 0.532 56.669 56.100 0.061 0.000 1.082 265 R CB 0.640 30.979 30.300 0.065 0.000 1.135 265 R HN 0.476 nan 8.270 nan 0.000 0.525 266 G N 0.276 109.121 108.800 0.075 0.000 2.176 266 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.232 266 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.232 266 G C 0.132 175.093 174.900 0.102 0.000 0.986 266 G CA -0.255 44.902 45.100 0.096 0.000 0.643 266 G HN 0.120 nan 8.290 nan 0.000 0.522 267 V N 2.268 122.234 119.914 0.088 0.000 2.583 267 V HA 0.404 4.524 4.120 -0.000 0.000 0.287 267 V C 0.501 176.633 176.094 0.063 0.000 1.051 267 V CA -0.530 61.824 62.300 0.090 0.000 1.010 267 V CB 1.538 33.416 31.823 0.090 0.000 0.988 267 V HN 0.200 nan 8.190 nan 0.000 0.478 268 K N 3.831 124.267 120.400 0.059 0.000 2.258 268 K HA 0.431 4.751 4.320 -0.000 0.000 0.284 268 K C -0.739 175.845 176.600 -0.026 0.000 1.051 268 K CA -0.320 55.981 56.287 0.025 0.000 0.923 268 K CB 1.638 34.158 32.500 0.034 0.000 1.046 268 K HN 0.414 nan 8.250 nan 0.000 0.474 269 V N 5.657 125.555 119.914 -0.027 0.000 2.347 269 V HA 0.341 4.461 4.120 -0.000 0.000 0.280 269 V C 0.130 176.190 176.094 -0.057 0.000 1.021 269 V CA -0.784 61.487 62.300 -0.048 0.000 0.847 269 V CB 0.926 32.732 31.823 -0.029 0.000 0.990 269 V HN 0.513 nan 8.190 nan 0.000 0.444 270 L N 5.010 126.171 121.223 -0.103 0.000 2.331 270 L HA 0.572 4.912 4.340 -0.000 0.000 0.275 270 L C -0.434 176.398 176.870 -0.063 0.000 1.022 270 L CA -0.919 53.863 54.840 -0.097 0.000 0.812 270 L CB 1.792 43.754 42.059 -0.161 0.000 1.257 270 L HN 0.422 nan 8.230 nan 0.000 0.435 271 L N 1.873 123.071 121.223 -0.042 0.000 2.281 271 L HA 0.480 4.820 4.340 -0.000 0.000 0.285 271 L C 0.485 177.345 176.870 -0.016 0.000 1.074 271 L CA 0.278 55.103 54.840 -0.025 0.000 0.817 271 L CB 1.005 43.049 42.059 -0.024 0.000 1.168 271 L HN 0.608 nan 8.230 nan 0.000 0.434 272 G N 5.822 114.651 108.800 0.049 0.000 2.415 272 G HA2 0.471 4.431 3.960 -0.000 0.000 0.269 272 G HA3 0.471 4.431 3.960 -0.000 0.000 0.269 272 G C -0.925 174.012 174.900 0.062 0.000 1.209 272 G CA -0.526 44.654 45.100 0.132 0.000 0.835 272 G HN 0.493 nan 8.290 nan 0.000 0.534 273 L N 1.745 123.052 121.223 0.140 0.000 2.362 273 L HA 0.692 5.032 4.340 -0.000 0.000 0.271 273 L C -0.673 176.328 176.870 0.218 0.000 1.002 273 L CA -0.772 54.188 54.840 0.199 0.000 0.818 273 L CB 1.733 44.044 42.059 0.419 0.000 1.298 273 L HN 0.490 nan 8.230 nan 0.000 0.420 274 L N 1.468 122.764 121.223 0.122 0.000 2.472 274 L HA 0.746 5.086 4.340 -0.000 0.000 0.260 274 L C 0.126 177.052 176.870 0.094 0.000 0.963 274 L CA -0.107 54.797 54.840 0.106 0.000 0.829 274 L CB 2.095 44.121 42.059 -0.056 0.000 1.348 274 L HN 0.633 nan 8.230 nan 0.000 0.408 275 G N 1.409 110.274 108.800 0.109 0.000 2.699 275 G HA2 0.269 4.229 3.960 -0.000 0.000 0.246 275 G HA3 0.269 4.229 3.960 -0.000 0.000 0.246 275 G C -0.194 174.727 174.900 0.035 0.000 1.219 275 G CA 0.168 45.300 45.100 0.052 0.000 0.866 275 G HN 0.795 nan 8.290 nan 0.000 0.572 276 N N -1.137 117.533 118.700 -0.051 0.000 2.570 276 N HA 0.031 4.771 4.740 -0.000 0.000 0.261 276 N C -0.104 175.413 175.510 0.011 0.000 1.540 276 N CA -0.476 52.521 53.050 -0.088 0.000 0.959 276 N CB -0.441 38.058 38.487 0.019 0.000 1.449 276 N HN 0.630 nan 8.380 nan 0.000 0.519 277 H N -0.902 118.226 119.070 0.096 0.000 2.886 277 H HA -0.168 4.388 4.556 -0.000 0.000 0.294 277 H C -0.663 174.691 175.328 0.044 0.000 1.246 277 H CA 1.633 57.723 56.048 0.070 0.000 1.142 277 H CB -1.626 28.164 29.762 0.048 0.000 1.358 277 H HN 0.746 nan 8.280 nan 0.000 0.406 278 D N -0.662 119.796 120.400 0.096 0.000 2.867 278 D HA 0.298 4.938 4.640 -0.000 0.000 0.308 278 D C 1.522 177.819 176.300 -0.004 0.000 1.202 278 D CA -0.318 53.715 54.000 0.053 0.000 1.035 278 D CB -0.207 40.637 40.800 0.074 0.000 1.427 278 D HN 0.120 nan 8.370 nan 0.000 0.570 279 I N -1.987 118.544 120.570 -0.066 0.000 3.083 279 I HA 0.077 4.247 4.170 -0.000 0.000 0.273 279 I C 0.582 176.641 176.117 -0.097 0.000 1.297 279 I CA 0.595 61.825 61.300 -0.117 0.000 1.452 279 I CB -0.952 36.905 38.000 -0.238 0.000 1.078 279 I HN 0.376 nan 8.210 nan 0.000 0.484 280 T N -0.637 113.883 114.554 -0.056 0.000 2.928 280 T HA 0.785 5.135 4.350 -0.000 0.000 0.284 280 T C 0.045 174.691 174.700 -0.090 0.000 1.008 280 T CA -0.064 61.997 62.100 -0.065 0.000 1.057 280 T CB 1.848 70.699 68.868 -0.028 0.000 1.018 280 T HN 0.424 nan 8.240 nan 0.000 0.493 281 G N 0.382 109.098 108.800 -0.141 0.000 2.601 281 G HA2 0.454 4.413 3.960 -0.000 0.000 0.291 281 G HA3 0.454 4.413 3.960 -0.000 0.000 0.291 281 G C 0.012 174.796 174.900 -0.194 0.000 1.456 281 G CA -1.000 44.019 45.100 -0.136 0.000 0.804 281 G HN 0.756 nan 8.290 nan 0.000 0.499 282 L N 0.241 121.365 121.223 -0.164 0.000 2.478 282 L HA 0.223 4.563 4.340 -0.000 0.000 0.223 282 L C 2.164 178.933 176.870 -0.168 0.000 1.140 282 L CA 1.279 55.990 54.840 -0.215 0.000 0.842 282 L CB 0.157 42.126 42.059 -0.151 0.000 0.953 282 L HN 0.611 nan 8.230 nan 0.000 0.452 283 A N -0.066 122.690 122.820 -0.106 0.000 2.637 283 A HA 0.203 4.523 4.320 -0.000 0.000 0.293 283 A C 0.821 178.358 177.584 -0.079 0.000 1.216 283 A CA -0.305 51.685 52.037 -0.078 0.000 0.956 283 A CB 0.013 18.987 19.000 -0.044 0.000 1.174 283 A HN 0.453 nan 8.150 nan 0.000 0.525 284 Q N 0.044 119.786 119.800 -0.097 0.000 2.074 284 Q HA 0.394 4.734 4.340 -0.000 0.000 0.265 284 Q C -1.206 174.742 176.000 -0.087 0.000 0.855 284 Q CA -0.199 55.555 55.803 -0.083 0.000 1.083 284 Q CB -0.297 28.396 28.738 -0.075 0.000 1.260 284 Q HN 0.416 nan 8.270 nan 0.000 0.427 285 L N 2.228 123.393 121.223 -0.096 0.000 2.307 285 L HA 0.451 4.791 4.340 -0.000 0.000 0.282 285 L C 0.762 177.601 176.870 -0.052 0.000 1.051 285 L CA -0.789 54.005 54.840 -0.078 0.000 0.804 285 L CB 1.579 43.582 42.059 -0.092 0.000 1.197 285 L HN 0.275 nan 8.230 nan 0.000 0.431 286 S N 0.654 116.334 115.700 -0.033 0.000 2.606 286 S HA -0.009 4.461 4.470 -0.000 0.000 0.257 286 S C 0.989 175.579 174.600 -0.018 0.000 1.327 286 S CA -0.187 57.998 58.200 -0.025 0.000 0.984 286 S CB 0.951 64.142 63.200 -0.014 0.000 0.941 286 S HN 0.796 nan 8.310 nan 0.000 0.576 287 E N 0.083 120.272 120.200 -0.018 0.000 2.049 287 E HA -0.295 4.055 4.350 -0.000 0.000 0.198 287 E C 2.096 178.702 176.600 0.009 0.000 1.007 287 E CA 1.664 58.058 56.400 -0.011 0.000 0.809 287 E CB -0.269 29.420 29.700 -0.018 0.000 0.749 287 E HN 0.739 nan 8.360 nan 0.000 0.450 288 Q N -0.077 119.729 119.800 0.010 0.000 2.079 288 Q HA -0.059 4.281 4.340 -0.000 0.000 0.200 288 Q C 1.974 177.996 176.000 0.037 0.000 0.974 288 Q CA 1.967 57.782 55.803 0.021 0.000 0.840 288 Q CB -0.729 28.019 28.738 0.017 0.000 0.898 288 Q HN 0.354 nan 8.270 nan 0.000 0.430 289 G N -0.072 108.747 108.800 0.033 0.000 2.418 289 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 289 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 289 G C 1.467 176.416 174.900 0.082 0.000 1.158 289 G CA 0.989 46.118 45.100 0.049 0.000 0.771 289 G HN 0.521 nan 8.290 nan 0.000 0.545 290 A N 0.732 123.585 122.820 0.055 0.000 1.898 290 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 290 A C 2.298 179.949 177.584 0.111 0.000 1.181 290 A CA 1.959 54.045 52.037 0.083 0.000 0.620 290 A CB -0.353 18.665 19.000 0.029 0.000 0.819 290 A HN 0.374 nan 8.150 nan 0.000 0.442 291 K N -0.299 120.145 120.400 0.073 0.000 2.032 291 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 291 K C 1.562 178.202 176.600 0.067 0.000 1.048 291 K CA 1.616 57.937 56.287 0.057 0.000 0.927 291 K CB -0.235 32.285 32.500 0.034 0.000 0.712 291 K HN 0.415 nan 8.250 nan 0.000 0.441 292 D N 0.094 120.545 120.400 0.086 0.000 2.117 292 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 292 D C 1.692 178.070 176.300 0.130 0.000 0.982 292 D CA 0.909 54.963 54.000 0.090 0.000 0.828 292 D CB -0.206 40.650 40.800 0.093 0.000 0.967 292 D HN 0.067 nan 8.370 nan 0.000 0.464 293 F N 1.725 121.695 119.950 0.034 0.000 2.146 293 F HA -0.039 4.488 4.527 -0.000 0.000 0.298 293 F C 2.231 178.077 175.800 0.077 0.000 1.096 293 F CA 1.170 59.200 58.000 0.050 0.000 1.275 293 F CB -0.265 38.754 39.000 0.032 0.000 1.008 293 F HN -0.083 nan 8.300 nan 0.000 0.480 294 A N 0.459 123.332 122.820 0.088 0.000 1.908 294 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 294 A C 2.379 179.947 177.584 -0.026 0.000 1.181 294 A CA 1.839 53.900 52.037 0.039 0.000 0.627 294 A CB -0.895 18.154 19.000 0.082 0.000 0.818 294 A HN 0.450 nan 8.150 nan 0.000 0.445 295 R N -0.441 120.050 120.500 -0.015 0.000 2.091 295 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 295 R C 2.216 178.496 176.300 -0.034 0.000 1.136 295 R CA 1.856 57.944 56.100 -0.021 0.000 0.959 295 R CB -0.266 30.028 30.300 -0.010 0.000 0.856 295 R HN 0.732 nan 8.270 nan 0.000 0.437 296 E N -0.473 119.687 120.200 -0.067 0.000 2.072 296 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 296 E C 1.858 178.454 176.600 -0.008 0.000 0.985 296 E CA 1.285 57.666 56.400 -0.032 0.000 0.801 296 E CB 0.173 29.842 29.700 -0.052 0.000 0.750 296 E HN 0.188 nan 8.360 nan 0.000 0.452 297 V N 1.172 120.964 119.914 -0.203 0.000 2.295 297 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 297 V C 2.411 178.517 176.094 0.019 0.000 1.049 297 V CA 1.893 64.110 62.300 -0.139 0.000 1.024 297 V CB -0.747 30.966 31.823 -0.183 0.000 0.648 297 V HN 0.428 nan 8.190 nan 0.000 0.447 298 A N -0.908 121.914 122.820 0.004 0.000 1.933 298 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 298 A C 2.251 179.848 177.584 0.020 0.000 1.175 298 A CA 2.080 54.128 52.037 0.018 0.000 0.628 298 A CB -0.530 18.472 19.000 0.003 0.000 0.814 298 A HN 0.627 nan 8.150 nan 0.000 0.444 299 Q N -1.786 118.025 119.800 0.018 0.000 2.084 299 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 299 Q C 1.803 177.776 176.000 -0.045 0.000 0.978 299 Q CA 1.798 57.582 55.803 -0.033 0.000 0.844 299 Q CB -0.283 28.424 28.738 -0.051 0.000 0.898 299 Q HN 0.724 nan 8.270 nan 0.000 0.426 300 Y N -0.178 120.107 120.300 -0.025 0.000 2.128 300 Y HA -0.307 4.243 4.550 -0.000 0.000 0.284 300 Y C 2.610 178.565 175.900 0.091 0.000 1.154 300 Y CA 1.410 59.558 58.100 0.079 0.000 1.149 300 Y CB -0.521 38.002 38.460 0.104 0.000 0.976 300 Y HN 0.296 nan 8.280 nan 0.000 0.505 301 C N -0.401 119.011 119.300 0.187 0.000 2.435 301 C HA -0.140 4.319 4.460 -0.000 0.000 0.279 301 C C 2.718 177.739 174.990 0.053 0.000 1.321 301 C CA 1.045 60.134 59.018 0.118 0.000 1.752 301 C CB -0.869 26.914 27.740 0.072 0.000 1.959 301 C HN 0.496 nan 8.230 nan 0.000 0.500 302 K N 1.253 121.651 120.400 -0.003 0.000 2.031 302 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 302 K C 2.195 178.719 176.600 -0.126 0.000 1.049 302 K CA 1.389 57.643 56.287 -0.056 0.000 0.939 302 K CB -0.316 32.138 32.500 -0.077 0.000 0.717 302 K HN 0.346 nan 8.250 nan 0.000 0.438 303 A N 0.159 122.834 122.820 -0.243 0.000 1.940 303 A HA -0.158 4.161 4.320 -0.000 0.000 0.219 303 A C 1.300 178.566 177.584 -0.529 0.000 1.176 303 A CA 1.363 53.114 52.037 -0.477 0.000 0.631 303 A CB -0.568 17.960 19.000 -0.786 0.000 0.814 303 A HN 0.480 nan 8.150 nan 0.000 0.446 304 Y N -0.885 119.382 120.300 -0.056 0.000 2.507 304 Y HA 0.236 4.786 4.550 -0.000 0.000 0.254 304 Y C 0.458 176.345 175.900 -0.021 0.000 1.171 304 Y CA -0.692 57.386 58.100 -0.035 0.000 1.238 304 Y CB -0.019 38.435 38.460 -0.010 0.000 1.148 304 Y HN 0.321 nan 8.280 nan 0.000 0.525 305 N N 1.418 120.157 118.700 0.065 0.000 2.708 305 N HA -0.182 4.558 4.740 -0.000 0.000 0.255 305 N C -0.900 174.646 175.510 0.060 0.000 1.046 305 N CA 0.732 53.808 53.050 0.043 0.000 0.715 305 N CB -1.282 37.221 38.487 0.025 0.000 0.895 305 N HN 0.358 nan 8.380 nan 0.000 0.545 306 L N -0.490 120.776 121.223 0.071 0.000 2.347 306 L HA 0.448 4.788 4.340 -0.000 0.000 0.268 306 L C 1.222 178.115 176.870 0.038 0.000 1.019 306 L CA -0.847 54.026 54.840 0.054 0.000 0.806 306 L CB 0.746 42.847 42.059 0.069 0.000 1.339 306 L HN -0.088 nan 8.230 nan 0.000 0.463 307 D N -0.128 120.284 120.400 0.019 0.000 2.433 307 D HA 0.320 4.960 4.640 -0.000 0.000 0.211 307 D C 0.538 176.841 176.300 0.006 0.000 1.114 307 D CA 0.480 54.490 54.000 0.016 0.000 0.837 307 D CB 1.629 42.436 40.800 0.012 0.000 0.984 307 D HN 0.738 nan 8.370 nan 0.000 0.505 308 G N 0.328 109.125 108.800 -0.005 0.000 2.291 308 G HA2 0.208 4.168 3.960 -0.000 0.000 0.249 308 G HA3 0.208 4.168 3.960 -0.000 0.000 0.249 308 G C -1.454 173.406 174.900 -0.066 0.000 1.340 308 G CA -0.205 44.881 45.100 -0.024 0.000 1.017 308 G HN 0.296 nan 8.290 nan 0.000 0.470 309 V N -2.116 117.728 119.914 -0.117 0.000 3.049 309 V HA 0.875 4.995 4.120 -0.000 0.000 0.309 309 V C -0.656 175.322 176.094 -0.193 0.000 1.148 309 V CA -0.823 61.351 62.300 -0.209 0.000 0.990 309 V CB 1.981 33.554 31.823 -0.417 0.000 1.039 309 V HN 1.198 nan 8.190 nan 0.000 0.430 310 N N 1.333 119.956 118.700 -0.128 0.000 2.342 310 N HA 0.464 5.204 4.740 -0.000 0.000 0.293 310 N C -2.067 173.479 175.510 0.060 0.000 1.026 310 N CA -0.320 52.752 53.050 0.038 0.000 0.857 310 N CB 1.897 40.532 38.487 0.246 0.000 1.256 310 N HN 0.760 nan 8.380 nan 0.000 0.484 311 Y N 1.113 121.570 120.300 0.263 0.000 2.331 311 Y HA 0.285 4.835 4.550 -0.000 0.000 0.338 311 Y C -0.069 176.019 175.900 0.314 0.000 0.992 311 Y CA -0.925 57.333 58.100 0.262 0.000 1.121 311 Y CB 1.271 39.866 38.460 0.225 0.000 1.184 311 Y HN 0.438 nan 8.280 nan 0.000 0.469 312 D N 2.253 122.950 120.400 0.495 0.000 2.542 312 D HA 0.098 4.738 4.640 -0.000 0.000 0.252 312 D C -1.389 175.120 176.300 0.348 0.000 1.222 312 D CA -0.633 53.649 54.000 0.470 0.000 0.895 312 D CB 0.897 41.996 40.800 0.499 0.000 1.207 312 D HN 0.508 nan 8.370 nan 0.000 0.558 313 D N 3.276 123.862 120.400 0.310 0.000 2.483 313 D HA 0.205 4.845 4.640 -0.000 0.000 0.220 313 D C -0.579 175.831 176.300 0.183 0.000 1.173 313 D CA 0.038 54.145 54.000 0.179 0.000 0.964 313 D CB 0.120 40.982 40.800 0.103 0.000 1.046 313 D HN 0.379 nan 8.370 nan 0.000 0.517 314 E N 1.947 122.210 120.200 0.104 0.000 2.383 314 E HA 0.303 4.653 4.350 -0.000 0.000 0.275 314 E C -0.604 175.885 176.600 -0.185 0.000 0.918 314 E CA -0.789 55.534 56.400 -0.128 0.000 0.764 314 E CB 0.865 30.364 29.700 -0.335 0.000 1.252 314 E HN 0.292 nan 8.360 nan 0.000 0.449 315 Y N -1.086 119.213 120.300 -0.000 0.000 4.936 315 Y HA -0.258 4.292 4.550 -0.000 0.000 0.266 315 Y C 0.223 175.965 175.900 -0.264 0.000 0.909 315 Y CA 0.733 58.699 58.100 -0.224 0.000 1.828 315 Y CB -2.102 36.063 38.460 -0.492 0.000 1.283 315 Y HN 0.253 nan 8.280 nan 0.000 0.511 316 S N 1.028 116.718 115.700 -0.017 0.000 2.601 316 S HA 0.441 4.911 4.470 -0.000 0.000 0.271 316 S C 0.567 175.174 174.600 0.010 0.000 1.305 316 S CA -0.553 57.636 58.200 -0.017 0.000 1.022 316 S CB 0.944 64.126 63.200 -0.030 0.000 0.940 316 S HN 0.376 nan 8.310 nan 0.000 0.525 317 N N -0.157 118.554 118.700 0.019 0.000 2.530 317 N HA 0.352 5.092 4.740 -0.000 0.000 0.283 317 N C -0.661 174.842 175.510 -0.012 0.000 1.238 317 N CA -0.689 52.375 53.050 0.023 0.000 0.971 317 N CB 0.481 38.995 38.487 0.044 0.000 1.195 317 N HN 0.392 nan 8.380 nan 0.000 0.583 318 S N 1.882 117.572 115.700 -0.016 0.000 2.549 318 S HA 0.132 4.602 4.470 -0.000 0.000 0.286 318 S C -2.174 172.395 174.600 -0.051 0.000 1.314 318 S CA -0.755 57.425 58.200 -0.032 0.000 1.062 318 S CB 0.198 63.381 63.200 -0.027 0.000 0.865 318 S HN 0.380 nan 8.310 nan 0.000 0.498 319 P HA 0.166 nan 4.420 nan 0.000 0.276 319 P C -0.883 176.367 177.300 -0.083 0.000 1.244 319 P CA -0.490 62.563 63.100 -0.080 0.000 0.801 319 P CB 0.511 32.169 31.700 -0.071 0.000 1.006 320 D N 1.467 121.800 120.400 -0.112 0.000 2.393 320 D HA 0.091 4.731 4.640 -0.000 0.000 0.232 320 D C 1.096 177.353 176.300 -0.072 0.000 1.192 320 D CA -0.160 53.780 54.000 -0.099 0.000 0.882 320 D CB -0.168 40.547 40.800 -0.142 0.000 1.038 320 D HN 0.184 nan 8.370 nan 0.000 0.499 321 L N 2.694 123.886 121.223 -0.053 0.000 2.456 321 L HA -0.103 4.237 4.340 -0.000 0.000 0.224 321 L C 2.248 179.100 176.870 -0.030 0.000 1.148 321 L CA 0.793 55.609 54.840 -0.040 0.000 0.825 321 L CB -0.375 41.663 42.059 -0.034 0.000 0.937 321 L HN 0.394 nan 8.230 nan 0.000 0.450 322 S N -1.309 114.373 115.700 -0.030 0.000 2.522 322 S HA -0.077 4.393 4.470 -0.000 0.000 0.227 322 S C 1.008 175.602 174.600 -0.010 0.000 0.986 322 S CA -0.067 58.122 58.200 -0.018 0.000 0.929 322 S CB -0.390 62.800 63.200 -0.016 0.000 0.769 322 S HN 0.405 nan 8.310 nan 0.000 0.529 323 N N 2.620 121.311 118.700 -0.016 0.000 2.444 323 N HA 0.269 5.009 4.740 -0.000 0.000 0.271 323 N C -2.358 173.160 175.510 0.012 0.000 1.069 323 N CA -1.777 51.277 53.050 0.007 0.000 0.965 323 N CB 1.622 40.109 38.487 -0.001 0.000 1.092 323 N HN 0.009 nan 8.380 nan 0.000 0.476 324 P HA 0.054 nan 4.420 nan 0.000 0.230 324 P C 0.598 177.910 177.300 0.019 0.000 1.158 324 P CA 0.730 63.839 63.100 0.016 0.000 0.769 324 P CB 0.412 32.123 31.700 0.019 0.000 0.807 325 S N -1.195 114.526 115.700 0.034 0.000 2.527 325 S HA 0.130 4.600 4.470 -0.000 0.000 0.222 325 S C 0.793 175.398 174.600 0.007 0.000 0.985 325 S CA 0.378 58.598 58.200 0.034 0.000 0.921 325 S CB -0.296 62.944 63.200 0.068 0.000 0.772 325 S HN 0.082 nan 8.310 nan 0.000 0.529 326 L N -0.281 120.939 121.223 -0.006 0.000 2.286 326 L HA 0.699 5.039 4.340 -0.000 0.000 0.265 326 L C 0.094 176.943 176.870 -0.034 0.000 1.012 326 L CA -0.520 54.301 54.840 -0.032 0.000 0.818 326 L CB 2.046 44.077 42.059 -0.046 0.000 1.337 326 L HN -0.096 nan 8.230 nan 0.000 0.438 327 T N -1.352 113.175 114.554 -0.044 0.000 2.762 327 T HA 0.288 4.638 4.350 -0.000 0.000 0.301 327 T C -1.252 173.421 174.700 -0.045 0.000 1.299 327 T CA -0.773 61.303 62.100 -0.041 0.000 1.005 327 T CB 1.388 70.233 68.868 -0.040 0.000 1.377 327 T HN 0.583 nan 8.240 nan 0.000 0.504 328 N N 2.770 121.445 118.700 -0.041 0.000 2.412 328 N HA 0.140 4.880 4.740 -0.000 0.000 0.258 328 N C -2.550 172.933 175.510 -0.046 0.000 1.236 328 N CA -0.456 52.569 53.050 -0.042 0.000 0.882 328 N CB 0.480 38.944 38.487 -0.037 0.000 1.066 328 N HN 0.383 nan 8.380 nan 0.000 0.465 329 P HA 0.027 nan 4.420 nan 0.000 0.267 329 P C -0.402 176.869 177.300 -0.048 0.000 1.205 329 P CA 0.278 63.347 63.100 -0.052 0.000 0.765 329 P CB 0.636 32.305 31.700 -0.052 0.000 0.828 330 S N 0.360 116.031 115.700 -0.047 0.000 2.565 330 S HA 0.245 4.715 4.470 -0.000 0.000 0.274 330 S C 0.750 175.329 174.600 -0.034 0.000 1.144 330 S CA -0.574 57.601 58.200 -0.041 0.000 0.849 330 S CB 0.463 63.639 63.200 -0.040 0.000 1.103 330 S HN 0.222 nan 8.310 nan 0.000 0.455 331 T N 1.858 116.397 114.554 -0.025 0.000 2.849 331 T HA -0.035 4.315 4.350 -0.000 0.000 0.270 331 T C 2.146 176.843 174.700 -0.006 0.000 1.066 331 T CA 1.783 63.879 62.100 -0.007 0.000 1.130 331 T CB -0.760 68.105 68.868 -0.005 0.000 0.864 331 T HN 0.976 nan 8.240 nan 0.000 0.481 332 A N 1.439 124.246 122.820 -0.022 0.000 1.933 332 A HA 0.152 4.472 4.320 -0.000 0.000 0.218 332 A C 2.647 180.199 177.584 -0.054 0.000 1.175 332 A CA 1.732 53.749 52.037 -0.034 0.000 0.628 332 A CB -1.009 17.967 19.000 -0.039 0.000 0.814 332 A HN 0.523 nan 8.150 nan 0.000 0.444 333 A N -0.247 122.542 122.820 -0.052 0.000 1.930 333 A HA 0.236 4.556 4.320 -0.000 0.000 0.217 333 A C 2.487 180.029 177.584 -0.070 0.000 1.175 333 A CA 1.827 53.825 52.037 -0.064 0.000 0.627 333 A CB -0.945 18.017 19.000 -0.063 0.000 0.815 333 A HN 1.003 nan 8.150 nan 0.000 0.443 334 A N 0.099 122.889 122.820 -0.049 0.000 1.883 334 A HA 0.115 4.435 4.320 -0.000 0.000 0.217 334 A C 2.517 180.093 177.584 -0.014 0.000 1.186 334 A CA 2.218 54.235 52.037 -0.034 0.000 0.624 334 A CB -1.078 17.936 19.000 0.024 0.000 0.822 334 A HN 1.060 nan 8.150 nan 0.000 0.444 335 A N -0.110 122.707 122.820 -0.006 0.000 1.902 335 A HA -0.165 4.154 4.320 -0.000 0.000 0.217 335 A C 2.166 179.564 177.584 -0.310 0.000 1.181 335 A CA 2.243 54.233 52.037 -0.079 0.000 0.623 335 A CB -0.475 18.524 19.000 -0.002 0.000 0.818 335 A HN 0.522 nan 8.150 nan 0.000 0.443 336 R N -0.196 120.182 120.500 -0.204 0.000 2.083 336 R HA -0.144 4.196 4.340 -0.000 0.000 0.237 336 R C 1.868 178.116 176.300 -0.087 0.000 1.137 336 R CA 2.002 58.000 56.100 -0.171 0.000 0.951 336 R CB -0.991 29.242 30.300 -0.111 0.000 0.851 336 R HN 0.427 nan 8.270 nan 0.000 0.434 337 L N -0.004 121.173 121.223 -0.077 0.000 2.046 337 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 337 L C 2.039 178.929 176.870 0.033 0.000 1.077 337 L CA 1.790 56.605 54.840 -0.042 0.000 0.747 337 L CB -0.857 41.108 42.059 -0.157 0.000 0.896 337 L HN 0.366 nan 8.230 nan 0.000 0.432 338 C N -1.158 118.173 119.300 0.051 0.000 2.429 338 C HA -0.197 4.263 4.460 -0.000 0.000 0.277 338 C C 2.589 177.652 174.990 0.122 0.000 1.262 338 C CA 0.936 60.103 59.018 0.249 0.000 1.733 338 C CB -1.300 26.711 27.740 0.452 0.000 2.010 338 C HN 0.731 nan 8.230 nan 0.000 0.483 339 Y N 2.289 122.344 120.300 -0.409 0.000 2.128 339 Y HA -0.185 4.365 4.550 -0.000 0.000 0.284 339 Y C 2.454 178.262 175.900 -0.153 0.000 1.154 339 Y CA 1.951 59.718 58.100 -0.554 0.000 1.149 339 Y CB -0.404 37.479 38.460 -0.961 0.000 0.976 339 Y HN 0.275 nan 8.280 nan 0.000 0.505 340 E N -0.409 119.724 120.200 -0.112 0.000 2.150 340 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 340 E C 2.171 178.738 176.600 -0.056 0.000 0.985 340 E CA 1.632 57.965 56.400 -0.113 0.000 0.814 340 E CB -0.559 29.159 29.700 0.030 0.000 0.752 340 E HN 0.536 nan 8.360 nan 0.000 0.466 341 T N 1.243 115.830 114.554 0.054 0.000 2.737 341 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 341 T C 1.945 176.693 174.700 0.080 0.000 1.038 341 T CA 1.621 63.795 62.100 0.122 0.000 1.144 341 T CB -0.077 68.967 68.868 0.292 0.000 0.866 341 T HN -0.006 nan 8.240 nan 0.000 0.434 342 K N 1.100 121.550 120.400 0.083 0.000 2.097 342 K HA -0.061 4.259 4.320 -0.000 0.000 0.206 342 K C 2.469 179.093 176.600 0.040 0.000 1.049 342 K CA 1.134 57.477 56.287 0.093 0.000 0.933 342 K CB -0.232 32.382 32.500 0.190 0.000 0.717 342 K HN 0.170 nan 8.250 nan 0.000 0.442 343 Q N 0.157 119.910 119.800 -0.079 0.000 2.135 343 Q HA -0.029 4.311 4.340 -0.000 0.000 0.204 343 Q C 0.884 176.960 176.000 0.127 0.000 0.981 343 Q CA 1.271 57.076 55.803 0.004 0.000 0.856 343 Q CB -0.513 28.073 28.738 -0.252 0.000 0.902 343 Q HN 0.379 nan 8.270 nan 0.000 0.425 347 D N 1.259 121.724 120.400 0.108 0.000 2.340 347 D HA 0.073 4.713 4.640 -0.000 0.000 0.220 347 D C 0.372 176.698 176.300 0.043 0.000 1.039 347 D CA 0.319 54.326 54.000 0.013 0.000 0.866 347 D CB 0.739 41.509 40.800 -0.050 0.000 0.913 347 D HN 0.312 nan 8.370 nan 0.000 0.523 348 K N 0.002 120.443 120.400 0.069 0.000 2.306 348 K HA 0.522 4.842 4.320 -0.000 0.000 0.236 348 K C -0.264 176.367 176.600 0.051 0.000 1.013 348 K CA -0.973 55.347 56.287 0.055 0.000 0.857 348 K CB 2.358 34.892 32.500 0.056 0.000 1.214 348 K HN -0.086 nan 8.250 nan 0.000 0.449 349 L N 1.781 123.024 121.223 0.035 0.000 2.331 349 L HA 0.273 4.613 4.340 -0.000 0.000 0.278 349 L C -0.582 176.302 176.870 0.023 0.000 1.106 349 L CA -0.801 54.058 54.840 0.031 0.000 0.824 349 L CB 1.072 43.137 42.059 0.010 0.000 1.142 349 L HN 0.218 nan 8.230 nan 0.000 0.443 350 V N 2.327 122.276 119.914 0.059 0.000 2.334 350 V HA 0.460 4.580 4.120 -0.000 0.000 0.281 350 V C 0.220 176.366 176.094 0.086 0.000 1.016 350 V CA -0.411 61.938 62.300 0.082 0.000 0.832 350 V CB 1.494 33.431 31.823 0.189 0.000 0.999 350 V HN 0.911 nan 8.190 nan 0.000 0.439 351 T N 2.105 116.688 114.554 0.048 0.000 2.906 351 T HA 0.852 5.202 4.350 -0.000 0.000 0.295 351 T C -1.046 173.720 174.700 0.110 0.000 1.075 351 T CA -0.770 61.352 62.100 0.037 0.000 1.005 351 T CB 2.141 71.019 68.868 0.016 0.000 1.136 351 T HN 0.264 nan 8.240 nan 0.000 0.498 352 V N 2.126 122.081 119.914 0.069 0.000 2.841 352 V HA 0.573 4.693 4.120 -0.000 0.000 0.310 352 V C -1.203 174.958 176.094 0.112 0.000 1.090 352 V CA -1.022 61.374 62.300 0.159 0.000 0.930 352 V CB 2.014 33.944 31.823 0.177 0.000 1.014 352 V HN 0.948 nan 8.190 nan 0.000 0.425 353 F N 3.827 123.829 119.950 0.085 0.000 2.424 353 F HA 0.410 4.937 4.527 -0.000 0.000 0.356 353 F C 0.459 176.272 175.800 0.021 0.000 1.110 353 F CA -1.071 56.941 58.000 0.020 0.000 1.161 353 F CB 0.854 39.893 39.000 0.065 0.000 1.115 353 F HN 0.590 nan 8.300 nan 0.000 0.507 354 D N 7.639 127.715 120.400 -0.540 0.000 2.470 354 D HA 0.079 4.719 4.640 -0.000 0.000 0.226 354 D C -0.968 175.067 176.300 -0.441 0.000 1.196 354 D CA 0.458 54.203 54.000 -0.425 0.000 0.979 354 D CB -0.316 40.188 40.800 -0.494 0.000 1.059 354 D HN 0.555 nan 8.370 nan 0.000 0.515 355 W N 3.541 124.543 121.300 -0.496 0.000 3.146 355 W HA 0.392 5.052 4.660 -0.000 0.000 0.319 355 W C 0.434 176.875 176.519 -0.131 0.000 1.258 355 W CA 0.001 57.122 57.345 -0.373 0.000 1.189 355 W CB 1.064 30.246 29.460 -0.463 0.000 1.412 355 W HN 0.554 nan 8.180 nan 0.000 0.567 356 G N 2.664 111.050 108.800 -0.690 0.000 2.596 356 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.295 356 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.295 356 G C -0.276 174.503 174.900 -0.202 0.000 1.240 356 G CA 0.631 45.492 45.100 -0.397 0.000 0.985 356 G HN 0.633 nan 8.290 nan 0.000 0.555 360 G N 2.131 110.690 108.800 -0.402 0.000 3.468 360 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.219 360 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.219 360 G C -1.362 173.433 174.900 -0.174 0.000 0.968 360 G CA 0.011 44.924 45.100 -0.312 0.000 0.851 360 G HN 0.738 nan 8.290 nan 0.000 0.524 361 V N 2.201 122.073 119.914 -0.069 0.000 2.432 361 V HA 0.625 4.745 4.120 -0.000 0.000 0.275 361 V C 1.225 177.390 176.094 0.120 0.000 1.043 361 V CA 0.613 62.930 62.300 0.029 0.000 0.925 361 V CB 1.424 33.280 31.823 0.055 0.000 0.985 361 V HN 0.644 nan 8.190 nan 0.000 0.466 362 A N 4.135 127.002 122.820 0.079 0.000 2.308 362 A HA 0.406 4.725 4.320 -0.000 0.000 0.217 362 A C 0.778 178.468 177.584 0.176 0.000 1.216 362 A CA 0.228 52.294 52.037 0.048 0.000 0.864 362 A CB 0.173 19.158 19.000 -0.025 0.000 0.902 362 A HN 0.719 nan 8.150 nan 0.000 0.499 363 T N -0.519 114.220 114.554 0.308 0.000 2.993 363 T HA 0.532 4.882 4.350 -0.000 0.000 0.312 363 T C -1.274 173.558 174.700 0.220 0.000 1.115 363 T CA -0.359 61.925 62.100 0.305 0.000 1.027 363 T CB 1.982 70.919 68.868 0.116 0.000 1.116 363 T HN -0.005 nan 8.240 nan 0.000 0.464 364 V N 2.430 122.412 119.914 0.112 0.000 2.623 364 V HA 0.375 4.495 4.120 -0.000 0.000 0.304 364 V C -0.628 175.214 176.094 -0.420 0.000 1.054 364 V CA -0.925 61.185 62.300 -0.318 0.000 0.882 364 V CB 1.742 33.101 31.823 -0.773 0.000 1.002 364 V HN 1.038 nan 8.190 nan 0.000 0.424 365 D N 3.938 124.138 120.400 -0.334 0.000 2.701 365 D HA -0.190 4.450 4.640 -0.000 0.000 0.235 365 D C 1.344 177.577 176.300 -0.111 0.000 1.155 365 D CA 1.982 55.832 54.000 -0.250 0.000 0.649 365 D CB -1.078 39.505 40.800 -0.362 0.000 1.050 365 D HN 1.537 nan 8.370 nan 0.000 0.425 366 G N -2.375 106.393 108.800 -0.052 0.000 2.162 366 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 366 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 366 G C 0.319 175.259 174.900 0.067 0.000 0.976 366 G CA 0.309 45.413 45.100 0.006 0.000 0.655 366 G HN 0.661 nan 8.290 nan 0.000 0.533 367 V N 0.699 120.697 119.914 0.140 0.000 2.417 367 V HA 0.505 4.625 4.120 -0.000 0.000 0.291 367 V C 0.294 176.641 176.094 0.422 0.000 1.024 367 V CA -0.532 61.949 62.300 0.302 0.000 0.861 367 V CB 1.743 33.861 31.823 0.491 0.000 0.985 367 V HN 0.391 nan 8.190 nan 0.000 0.436 368 D N 3.501 124.024 120.400 0.204 0.000 2.372 368 D HA 0.397 5.037 4.640 -0.000 0.000 0.243 368 D C 1.267 177.360 176.300 -0.345 0.000 1.121 368 D CA 0.433 54.451 54.000 0.029 0.000 0.898 368 D CB 1.766 42.552 40.800 -0.024 0.000 1.202 368 D HN 0.642 nan 8.370 nan 0.000 0.428 369 A N 4.059 126.466 122.820 -0.688 0.000 1.997 369 A HA -0.283 4.037 4.320 -0.000 0.000 0.221 369 A C 1.939 178.990 177.584 -0.888 0.000 1.172 369 A CA 2.059 53.200 52.037 -1.494 0.000 0.645 369 A CB -0.831 17.620 19.000 -0.914 0.000 0.813 369 A HN 0.804 nan 8.150 nan 0.000 0.454 370 K N -0.615 119.537 120.400 -0.413 0.000 2.127 370 K HA -0.230 4.090 4.320 -0.000 0.000 0.208 370 K C 1.153 177.659 176.600 -0.156 0.000 1.047 370 K CA 1.694 57.864 56.287 -0.195 0.000 0.927 370 K CB -0.379 32.072 32.500 -0.081 0.000 0.716 370 K HN 0.462 nan 8.250 nan 0.000 0.450 371 E N 0.075 120.160 120.200 -0.191 0.000 2.371 371 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 371 E C 1.413 178.092 176.600 0.132 0.000 1.012 371 E CA 0.917 57.330 56.400 0.022 0.000 0.860 371 E CB 0.124 29.937 29.700 0.189 0.000 0.811 371 E HN 0.767 nan 8.360 nan 0.000 0.502 372 W N -0.708 120.677 121.300 0.142 0.000 2.324 372 W HA 0.437 5.097 4.660 -0.000 0.000 0.316 372 W C 0.008 176.616 176.519 0.148 0.000 0.927 372 W CA -0.358 57.073 57.345 0.144 0.000 1.438 372 W CB 0.097 29.668 29.460 0.185 0.000 1.085 372 W HN -0.243 nan 8.180 nan 0.000 0.532 373 I N 2.719 123.324 120.570 0.059 0.000 2.420 373 I HA 0.168 4.338 4.170 -0.000 0.000 0.282 373 I C 0.717 176.856 176.117 0.037 0.000 1.019 373 I CA -0.205 61.161 61.300 0.109 0.000 1.130 373 I CB 1.806 39.868 38.000 0.104 0.000 1.262 373 I HN -0.202 nan 8.210 nan 0.000 0.454 374 D N 6.096 126.526 120.400 0.050 0.000 2.162 374 D HA 0.163 4.803 4.640 -0.000 0.000 0.203 374 D C 0.456 176.732 176.300 -0.040 0.000 0.967 374 D CA 1.533 55.550 54.000 0.027 0.000 0.840 374 D CB 0.829 41.653 40.800 0.040 0.000 0.972 374 D HN 0.325 nan 8.370 nan 0.000 0.482 375 I N 0.501 120.984 120.570 -0.145 0.000 2.656 375 I HA 0.211 4.381 4.170 -0.000 0.000 0.292 375 I C -1.047 174.865 176.117 -0.341 0.000 1.144 375 I CA -0.867 60.214 61.300 -0.364 0.000 1.038 375 I CB 3.427 40.988 38.000 -0.732 0.000 1.244 375 I HN -0.345 nan 8.210 nan 0.000 0.420 376 V N 7.278 126.965 119.914 -0.377 0.000 2.540 376 V HA 0.738 4.858 4.120 -0.000 0.000 0.302 376 V C -0.787 175.052 176.094 -0.423 0.000 1.035 376 V CA -0.456 61.573 62.300 -0.451 0.000 0.873 376 V CB 2.111 33.515 31.823 -0.698 0.000 0.992 376 V HN 0.521 nan 8.190 nan 0.000 0.428 377 V N 4.655 124.346 119.914 -0.373 0.000 2.628 377 V HA 1.043 5.163 4.120 -0.000 0.000 0.306 377 V C 0.100 176.080 176.094 -0.191 0.000 1.045 377 V CA -0.091 62.063 62.300 -0.244 0.000 0.905 377 V CB 1.248 32.928 31.823 -0.239 0.000 0.997 377 V HN 1.359 nan 8.190 nan 0.000 0.436 378 A N 3.086 125.791 122.820 -0.191 0.000 2.261 378 A HA 0.713 5.033 4.320 -0.000 0.000 0.323 378 A C 0.112 177.540 177.584 -0.261 0.000 1.107 378 A CA -0.733 51.138 52.037 -0.278 0.000 0.883 378 A CB 0.735 19.622 19.000 -0.187 0.000 1.251 378 A HN 1.051 nan 8.150 nan 0.000 0.502 379 N N -0.730 117.766 118.700 -0.341 0.000 2.416 379 N HA 0.176 4.916 4.740 -0.000 0.000 0.246 379 N C -0.921 174.356 175.510 -0.388 0.000 1.260 379 N CA 0.306 53.130 53.050 -0.376 0.000 0.897 379 N CB -0.169 38.246 38.487 -0.119 0.000 1.110 379 N HN 0.384 nan 8.380 nan 0.000 0.439 380 Y N 1.014 121.289 120.300 -0.043 0.000 2.805 380 Y HA 0.129 4.678 4.550 -0.000 0.000 0.331 380 Y C 1.922 177.804 175.900 -0.030 0.000 1.241 380 Y CA 0.962 59.022 58.100 -0.066 0.000 1.546 380 Y CB -0.328 38.059 38.460 -0.121 0.000 1.248 380 Y HN 0.726 nan 8.280 nan 0.000 0.559 381 G N 1.274 110.117 108.800 0.071 0.000 2.176 381 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.232 381 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.232 381 G C 0.050 174.957 174.900 0.012 0.000 0.986 381 G CA 0.030 45.156 45.100 0.044 0.000 0.643 381 G HN 0.638 nan 8.290 nan 0.000 0.522 382 S N -0.386 115.305 115.700 -0.015 0.000 2.568 382 S HA 0.857 5.327 4.470 -0.000 0.000 0.293 382 S C 0.169 174.733 174.600 -0.059 0.000 1.089 382 S CA 0.129 58.319 58.200 -0.017 0.000 0.945 382 S CB 2.015 65.217 63.200 0.002 0.000 1.077 382 S HN 1.558 nan 8.310 nan 0.000 0.485 383 A N 1.250 124.032 122.820 -0.063 0.000 2.303 383 A HA 0.825 5.145 4.320 -0.000 0.000 0.317 383 A C 0.299 177.893 177.584 0.017 0.000 1.149 383 A CA -0.508 51.449 52.037 -0.133 0.000 0.822 383 A CB 0.329 19.123 19.000 -0.342 0.000 1.131 383 A HN 1.029 nan 8.150 nan 0.000 0.493 384 A N 0.769 123.591 122.820 0.003 0.000 2.313 384 A HA 0.642 4.962 4.320 -0.000 0.000 0.261 384 A C -0.322 177.362 177.584 0.168 0.000 1.090 384 A CA -0.034 51.977 52.037 -0.044 0.000 0.807 384 A CB -0.007 18.883 19.000 -0.183 0.000 1.055 384 A HN 1.599 nan 8.150 nan 0.000 0.492 385 Y N -1.299 119.080 120.300 0.132 0.000 2.545 385 Y HA 0.782 5.332 4.550 -0.000 0.000 0.348 385 Y C -2.917 173.107 175.900 0.207 0.000 1.002 385 Y CA -3.384 54.818 58.100 0.170 0.000 1.039 385 Y CB 0.920 39.467 38.460 0.145 0.000 1.271 385 Y HN 0.462 nan 8.280 nan 0.000 0.467 386 P HA 0.443 nan 4.420 nan 0.000 0.281 386 P C -0.755 176.714 177.300 0.282 0.000 1.249 386 P CA -0.255 62.992 63.100 0.245 0.000 0.810 386 P CB 2.250 34.033 31.700 0.139 0.000 1.008 387 I N -3.263 117.401 120.570 0.158 0.000 3.108 387 I HA 0.759 4.929 4.170 -0.000 0.000 0.312 387 I C 0.666 176.766 176.117 -0.029 0.000 1.095 387 I CA -0.650 60.669 61.300 0.032 0.000 1.000 387 I CB 1.575 39.493 38.000 -0.136 0.000 1.229 387 I HN 0.670 nan 8.210 nan 0.000 0.454 388 G N 2.961 111.737 108.800 -0.041 0.000 2.611 388 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.301 388 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.301 388 G C -0.160 174.725 174.900 -0.026 0.000 1.233 388 G CA 0.490 45.561 45.100 -0.049 0.000 0.993 388 G HN 0.954 nan 8.290 nan 0.000 0.553 392 K N 0.130 120.518 120.400 -0.020 0.000 2.442 392 K HA 0.059 4.379 4.320 -0.000 0.000 0.198 392 K C 1.733 178.353 176.600 0.032 0.000 1.042 392 K CA 0.408 56.653 56.287 -0.069 0.000 0.958 392 K CB -0.030 32.249 32.500 -0.368 0.000 0.766 392 K HN 0.306 nan 8.250 nan 0.000 0.474 393 K N 0.782 121.217 120.400 0.058 0.000 2.360 393 K HA -0.130 4.190 4.320 -0.000 0.000 0.201 393 K C 1.345 178.119 176.600 0.290 0.000 1.046 393 K CA 1.223 57.587 56.287 0.127 0.000 0.945 393 K CB 0.128 32.681 32.500 0.087 0.000 0.750 393 K HN 0.184 nan 8.250 nan 0.000 0.464 394 Q N -0.886 119.060 119.800 0.244 0.000 2.320 394 Q HA 0.073 4.413 4.340 -0.000 0.000 0.201 394 Q C -0.160 175.948 176.000 0.180 0.000 0.910 394 Q CA 0.065 56.013 55.803 0.243 0.000 0.946 394 Q CB 0.377 29.180 28.738 0.108 0.000 1.062 394 Q HN 0.091 nan 8.270 nan 0.000 0.503 395 C N 0.498 119.971 119.300 0.290 0.000 2.493 395 C HA 0.635 5.095 4.460 -0.000 0.000 0.326 395 C C 0.380 175.590 174.990 0.366 0.000 1.200 395 C CA -1.396 57.757 59.018 0.225 0.000 1.739 395 C CB 1.468 29.375 27.740 0.279 0.000 2.300 395 C HN 0.436 nan 8.230 nan 0.000 0.500 396 S N 1.183 116.986 115.700 0.172 0.000 2.549 396 S HA 0.420 4.890 4.470 -0.000 0.000 0.279 396 S C 0.857 175.460 174.600 0.005 0.000 1.321 396 S CA 0.208 58.506 58.200 0.163 0.000 1.054 396 S CB 1.155 64.377 63.200 0.036 0.000 0.899 396 S HN 1.086 nan 8.310 nan 0.000 0.497 397 G N 1.452 110.197 108.800 -0.090 0.000 2.887 397 G HA2 0.373 4.333 3.960 -0.000 0.000 0.211 397 G HA3 0.373 4.333 3.960 -0.000 0.000 0.211 397 G C 0.051 174.783 174.900 -0.281 0.000 1.152 397 G CA -0.112 44.642 45.100 -0.577 0.000 0.769 397 G HN 0.793 nan 8.290 nan 0.000 0.541 398 I N -0.229 120.306 120.570 -0.059 0.000 2.842 398 I HA 0.498 4.668 4.170 -0.000 0.000 0.297 398 I C -1.363 174.798 176.117 0.073 0.000 1.380 398 I CA -0.484 60.819 61.300 0.006 0.000 1.018 398 I CB 2.118 40.145 38.000 0.046 0.000 1.311 398 I HN -0.024 nan 8.210 nan 0.000 0.439 402 F N 1.561 121.473 119.950 -0.062 0.000 2.407 402 F HA -0.007 4.520 4.527 -0.000 0.000 0.299 402 F C 2.090 177.884 175.800 -0.010 0.000 1.097 402 F CA 0.923 58.914 58.000 -0.015 0.000 1.422 402 F CB -0.140 38.858 39.000 -0.003 0.000 1.067 402 F HN 0.360 nan 8.300 nan 0.000 0.539 403 N N 0.311 119.091 118.700 0.133 0.000 2.278 403 N HA -0.020 4.720 4.740 -0.000 0.000 0.181 403 N C 1.530 177.055 175.510 0.026 0.000 1.023 403 N CA 1.172 54.269 53.050 0.078 0.000 0.862 403 N CB -0.157 38.366 38.487 0.060 0.000 1.003 403 N HN 0.237 nan 8.380 nan 0.000 0.431 404 L N -1.599 119.599 121.223 -0.042 0.000 2.416 404 L HA 0.344 4.684 4.340 -0.000 0.000 0.216 404 L C 1.429 178.260 176.870 -0.065 0.000 1.098 404 L CA 0.662 55.459 54.840 -0.071 0.000 0.840 404 L CB -0.046 41.930 42.059 -0.138 0.000 0.981 404 L HN 0.427 nan 8.230 nan 0.000 0.462 405 G N -0.350 108.409 108.800 -0.069 0.000 2.238 405 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 405 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 405 G C 0.621 175.491 174.900 -0.050 0.000 0.996 405 G CA -0.264 44.821 45.100 -0.025 0.000 0.632 405 G HN 0.490 nan 8.290 nan 0.000 0.503 406 G N -1.162 107.568 108.800 -0.117 0.000 2.599 406 G HA2 0.560 4.520 3.960 -0.000 0.000 0.264 406 G HA3 0.560 4.520 3.960 -0.000 0.000 0.264 406 G C 1.388 176.265 174.900 -0.039 0.000 1.200 406 G CA 1.382 46.441 45.100 -0.069 0.000 0.896 406 G HN 1.846 nan 8.290 nan 0.000 0.536 407 G N -1.608 107.216 108.800 0.041 0.000 2.213 407 G HA2 0.331 4.291 3.960 -0.000 0.000 0.226 407 G HA3 0.331 4.291 3.960 -0.000 0.000 0.226 407 G C 1.305 176.232 174.900 0.045 0.000 0.992 407 G CA 0.715 45.862 45.100 0.079 0.000 0.632 407 G HN 2.830 nan 8.290 nan 0.000 0.511 408 G N -1.376 107.445 108.800 0.034 0.000 2.627 408 G HA2 0.334 4.294 3.960 -0.000 0.000 0.214 408 G HA3 0.334 4.294 3.960 -0.000 0.000 0.214 408 G C -0.241 174.689 174.900 0.048 0.000 1.331 408 G CA 0.241 45.362 45.100 0.035 0.000 0.891 408 G HN 1.700 nan 8.290 nan 0.000 0.539 409 S N -1.173 114.552 115.700 0.043 0.000 2.568 409 S HA 0.652 5.122 4.470 -0.000 0.000 0.293 409 S C 0.139 174.749 174.600 0.016 0.000 1.089 409 S CA -0.579 57.654 58.200 0.054 0.000 0.945 409 S CB 1.853 65.084 63.200 0.051 0.000 1.077 409 S HN 0.908 nan 8.310 nan 0.000 0.485 410 L N 3.521 124.745 121.223 0.000 0.000 2.536 410 L HA 0.260 4.600 4.340 -0.000 0.000 0.242 410 L C 0.540 177.353 176.870 -0.095 0.000 1.280 410 L CA -0.210 54.574 54.840 -0.094 0.000 1.221 410 L CB -0.516 41.415 42.059 -0.214 0.000 1.449 410 L HN 0.808 nan 8.230 nan 0.000 0.405 411 S N 0.260 115.925 115.700 -0.059 0.000 2.655 411 S HA 0.384 4.854 4.470 -0.000 0.000 0.265 411 S C 1.441 175.999 174.600 -0.070 0.000 1.240 411 S CA -0.107 58.065 58.200 -0.048 0.000 0.986 411 S CB 1.652 64.838 63.200 -0.023 0.000 0.985 411 S HN 0.462 nan 8.310 nan 0.000 0.562 412 A N 1.121 123.907 122.820 -0.057 0.000 1.883 412 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 412 A C 2.481 180.032 177.584 -0.055 0.000 1.186 412 A CA 2.249 54.249 52.037 -0.062 0.000 0.624 412 A CB -1.691 17.282 19.000 -0.044 0.000 0.822 412 A HN 0.969 nan 8.150 nan 0.000 0.444 413 S N -0.699 114.978 115.700 -0.037 0.000 2.356 413 S HA -0.219 4.251 4.470 -0.000 0.000 0.223 413 S C 2.152 176.734 174.600 -0.030 0.000 1.032 413 S CA 2.149 60.333 58.200 -0.027 0.000 1.005 413 S CB -0.286 62.904 63.200 -0.016 0.000 0.867 413 S HN 0.509 nan 8.310 nan 0.000 0.449 414 K N 1.506 121.884 120.400 -0.036 0.000 2.057 414 K HA 0.192 4.512 4.320 -0.000 0.000 0.206 414 K C 2.060 178.630 176.600 -0.051 0.000 1.050 414 K CA 1.469 57.733 56.287 -0.037 0.000 0.935 414 K CB -1.022 31.454 32.500 -0.039 0.000 0.715 414 K HN 0.324 nan 8.250 nan 0.000 0.439 415 A N 0.492 123.260 122.820 -0.086 0.000 1.892 415 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 415 A C 2.223 179.765 177.584 -0.070 0.000 1.188 415 A CA 2.147 54.115 52.037 -0.114 0.000 0.631 415 A CB -0.875 18.019 19.000 -0.177 0.000 0.822 415 A HN 0.496 nan 8.150 nan 0.000 0.447 416 Q N 0.509 120.276 119.800 -0.056 0.000 2.119 416 Q HA -0.009 4.331 4.340 -0.000 0.000 0.201 416 Q C 1.296 177.295 176.000 -0.001 0.000 0.972 416 Q CA 1.170 56.953 55.803 -0.033 0.000 0.847 416 Q CB -0.434 28.286 28.738 -0.031 0.000 0.903 416 Q HN 0.591 nan 8.270 nan 0.000 0.433 420 D N 1.736 122.162 120.400 0.045 0.000 2.178 420 D HA -0.084 4.556 4.640 -0.000 0.000 0.201 420 D C 1.996 178.318 176.300 0.037 0.000 0.980 420 D CA 1.872 55.891 54.000 0.032 0.000 0.842 420 D CB -0.242 40.578 40.800 0.034 0.000 0.948 420 D HN 0.512 nan 8.370 nan 0.000 0.472 421 G N -0.624 108.232 108.800 0.093 0.000 2.650 421 G HA2 0.174 4.134 3.960 -0.000 0.000 0.214 421 G HA3 0.174 4.134 3.960 -0.000 0.000 0.214 421 G C 1.218 175.988 174.900 -0.216 0.000 1.136 421 G CA 0.578 45.705 45.100 0.045 0.000 0.789 421 G HN 0.456 nan 8.290 nan 0.000 0.536 422 G N -1.287 107.445 108.800 -0.113 0.000 2.147 422 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.244 422 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.244 422 G C 0.118 174.904 174.900 -0.190 0.000 1.005 422 G CA 0.073 45.085 45.100 -0.146 0.000 0.713 422 G HN 0.429 nan 8.290 nan 0.000 0.515 423 Y N -0.243 120.085 120.300 0.046 0.000 2.411 423 Y HA 0.417 4.967 4.550 -0.000 0.000 0.333 423 Y C 1.818 177.744 175.900 0.044 0.000 1.186 423 Y CA 0.930 59.075 58.100 0.074 0.000 1.381 423 Y CB 1.260 39.776 38.460 0.093 0.000 1.273 423 Y HN 0.054 nan 8.280 nan 0.000 0.546 424 G N 1.131 110.058 108.800 0.213 0.000 2.662 424 G HA2 0.030 3.990 3.960 -0.000 0.000 0.212 424 G HA3 0.030 3.990 3.960 -0.000 0.000 0.212 424 G C -0.726 173.935 174.900 -0.399 0.000 1.141 424 G CA -0.071 44.986 45.100 -0.072 0.000 0.797 424 G HN 0.590 nan 8.290 nan 0.000 0.531 425 W N -0.386 121.000 121.300 0.142 0.000 3.033 425 W HA 0.653 5.313 4.660 0.000 0.000 0.336 425 W C -0.645 175.956 176.519 0.137 0.000 1.173 425 W CA -1.367 56.011 57.345 0.054 0.000 1.185 425 W CB 1.115 30.575 29.460 0.000 0.000 1.425 425 W HN 0.048 nan 8.180 nan 0.000 0.536 429 F N 1.691 121.451 119.950 -0.316 0.000 2.539 429 F HA 0.606 5.133 4.527 -0.000 0.000 0.318 429 F C 0.495 176.183 175.800 -0.186 0.000 1.135 429 F CA 0.603 58.459 58.000 -0.239 0.000 0.915 429 F CB 2.127 40.930 39.000 -0.329 0.000 1.176 429 F HN 1.946 nan 8.300 nan 0.000 0.440 430 A N 4.378 126.837 122.820 -0.603 0.000 2.815 430 A HA -0.106 4.214 4.320 -0.000 0.000 0.292 430 A C -2.737 174.830 177.584 -0.027 0.000 1.457 430 A CA 0.174 52.000 52.037 -0.352 0.000 0.735 430 A CB -2.537 16.352 19.000 -0.186 0.000 1.056 430 A HN 0.393 nan 8.150 nan 0.000 0.474 431 P HA 0.476 nan 4.420 nan 0.000 0.274 431 P C -0.002 177.387 177.300 0.148 0.000 1.231 431 P CA 0.744 63.887 63.100 0.072 0.000 0.790 431 P CB 1.407 33.084 31.700 -0.038 0.000 0.951 432 S N 0.517 116.323 115.700 0.177 0.000 2.541 432 S HA 0.481 4.951 4.470 -0.000 0.000 0.271 432 S C -2.468 172.008 174.600 -0.207 0.000 1.133 432 S CA -1.482 56.762 58.200 0.074 0.000 0.876 432 S CB 1.508 64.730 63.200 0.036 0.000 1.105 432 S HN 0.093 nan 8.310 nan 0.000 0.470 433 P HA -0.045 nan 4.420 nan 0.000 0.217 433 P C 1.528 178.484 177.300 -0.573 0.000 1.148 433 P CA 1.942 64.352 63.100 -1.151 0.000 0.828 433 P CB -0.143 31.128 31.700 -0.714 0.000 0.783 434 A N -0.462 122.184 122.820 -0.290 0.000 2.125 434 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 434 A C 1.715 179.277 177.584 -0.038 0.000 1.156 434 A CA 1.422 53.373 52.037 -0.144 0.000 0.671 434 A CB -0.763 18.179 19.000 -0.096 0.000 0.794 434 A HN 0.215 nan 8.150 nan 0.000 0.459 435 K N -1.464 118.934 120.400 -0.002 0.000 2.478 435 K HA 0.183 4.503 4.320 -0.000 0.000 0.205 435 K C 0.286 177.022 176.600 0.228 0.000 1.033 435 K CA -0.372 55.976 56.287 0.101 0.000 1.091 435 K CB 0.232 32.791 32.500 0.099 0.000 0.844 435 K HN 0.354 nan 8.250 nan 0.000 0.507 436 Y N 1.112 121.452 120.300 0.067 0.000 2.256 436 Y HA -0.134 4.416 4.550 -0.000 0.000 0.288 436 Y C 2.372 178.365 175.900 0.155 0.000 1.155 436 Y CA 1.109 59.257 58.100 0.081 0.000 1.203 436 Y CB -0.946 37.353 38.460 -0.268 0.000 0.980 436 Y HN 0.209 nan 8.280 nan 0.000 0.530 437 G N -0.433 108.535 108.800 0.281 0.000 2.459 437 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 437 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 437 G C 1.903 176.912 174.900 0.181 0.000 1.183 437 G CA 1.646 46.867 45.100 0.202 0.000 0.776 437 G HN 0.492 nan 8.290 nan 0.000 0.552 438 S N 0.250 116.047 115.700 0.162 0.000 2.368 438 S HA -0.059 4.411 4.470 -0.000 0.000 0.224 438 S C 2.307 176.993 174.600 0.142 0.000 1.029 438 S CA 1.237 59.522 58.200 0.142 0.000 0.988 438 S CB -0.512 62.766 63.200 0.130 0.000 0.838 438 S HN 0.114 nan 8.310 nan 0.000 0.462 439 V N 1.181 121.160 119.914 0.109 0.000 2.255 439 V HA -0.147 3.973 4.120 -0.000 0.000 0.247 439 V C 2.272 178.291 176.094 -0.125 0.000 1.051 439 V CA 2.010 64.237 62.300 -0.122 0.000 1.018 439 V CB -1.048 30.584 31.823 -0.318 0.000 0.641 439 V HN 0.438 nan 8.190 nan 0.000 0.445 440 F N 1.114 121.029 119.950 -0.060 0.000 2.325 440 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 440 F C 2.767 178.573 175.800 0.010 0.000 1.090 440 F CA 1.380 59.349 58.000 -0.052 0.000 1.392 440 F CB -0.704 38.205 39.000 -0.153 0.000 1.053 440 F HN 0.261 nan 8.300 nan 0.000 0.521 441 S N 0.605 116.414 115.700 0.181 0.000 2.383 441 S HA -0.228 4.242 4.470 -0.000 0.000 0.229 441 S C 1.972 176.635 174.600 0.106 0.000 1.030 441 S CA 1.046 59.322 58.200 0.127 0.000 1.002 441 S CB -0.587 62.679 63.200 0.111 0.000 0.829 441 S HN 0.412 nan 8.310 nan 0.000 0.467 442 R N 0.493 121.067 120.500 0.123 0.000 2.307 442 R HA 0.292 4.632 4.340 -0.000 0.000 0.199 442 R C 1.232 177.597 176.300 0.109 0.000 1.000 442 R CA 0.640 56.823 56.100 0.139 0.000 1.023 442 R CB -0.305 30.139 30.300 0.240 0.000 0.908 442 R HN 0.454 nan 8.270 nan 0.000 0.473 443 L N 1.157 122.423 121.223 0.072 0.000 2.728 443 L HA 0.104 4.444 4.340 -0.000 0.000 0.238 443 L C 0.538 177.414 176.870 0.011 0.000 1.143 443 L CA -0.300 54.551 54.840 0.017 0.000 0.937 443 L CB 0.063 42.108 42.059 -0.023 0.000 1.225 443 L HN 0.183 nan 8.230 nan 0.000 0.507 444 Q N -0.006 119.816 119.800 0.036 0.000 2.340 444 Q HA 0.378 4.718 4.340 -0.000 0.000 0.249 444 Q C 1.010 177.007 176.000 -0.005 0.000 0.957 444 Q CA 0.434 56.255 55.803 0.029 0.000 0.882 444 Q CB 1.147 29.911 28.738 0.044 0.000 1.235 444 Q HN 0.193 nan 8.270 nan 0.000 0.439 445 G N 2.148 110.942 108.800 -0.011 0.000 2.458 445 G HA2 -0.385 3.574 3.960 -0.000 0.000 0.237 445 G HA3 -0.385 3.574 3.960 -0.000 0.000 0.237 445 G C 0.846 175.707 174.900 -0.065 0.000 1.113 445 G CA 0.354 45.436 45.100 -0.030 0.000 0.655 445 G HN 0.993 nan 8.290 nan 0.000 0.513 446 G N 0.700 109.442 108.800 -0.098 0.000 2.421 446 G HA2 0.271 4.231 3.960 -0.000 0.000 0.217 446 G HA3 0.271 4.231 3.960 -0.000 0.000 0.217 446 G C 1.785 176.559 174.900 -0.210 0.000 1.143 446 G CA 1.883 46.880 45.100 -0.172 0.000 0.784 446 G HN 1.510 nan 8.290 nan 0.000 0.541 447 G N 0.471 109.192 108.800 -0.132 0.000 2.422 447 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 447 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 447 G C 1.566 176.437 174.900 -0.049 0.000 1.146 447 G CA 1.136 46.210 45.100 -0.044 0.000 0.769 447 G HN 0.421 nan 8.290 nan 0.000 0.547 448 E N 0.609 120.782 120.200 -0.045 0.000 2.110 448 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 448 E C 2.699 179.252 176.600 -0.077 0.000 0.988 448 E CA 1.129 57.508 56.400 -0.035 0.000 0.804 448 E CB -0.186 29.499 29.700 -0.025 0.000 0.745 448 E HN 0.288 nan 8.360 nan 0.000 0.458 449 V N 1.354 121.195 119.914 -0.121 0.000 2.307 449 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 449 V C 2.634 178.593 176.094 -0.226 0.000 1.045 449 V CA 1.392 63.606 62.300 -0.144 0.000 1.024 449 V CB -0.454 31.288 31.823 -0.135 0.000 0.651 449 V HN 0.248 nan 8.190 nan 0.000 0.449 450 L N -1.699 119.280 121.223 -0.407 0.000 2.179 450 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 450 L C 1.932 178.391 176.870 -0.684 0.000 1.096 450 L CA 1.516 55.931 54.840 -0.709 0.000 0.779 450 L CB -0.211 41.062 42.059 -1.310 0.000 0.922 450 L HN 0.392 nan 8.230 nan 0.000 0.443 451 Y N -1.586 118.667 120.300 -0.077 0.000 2.540 451 Y HA 0.359 4.909 4.550 -0.000 0.000 0.257 451 Y C 1.607 177.468 175.900 -0.064 0.000 1.090 451 Y CA -0.205 57.848 58.100 -0.079 0.000 1.242 451 Y CB 0.212 38.623 38.460 -0.082 0.000 1.325 451 Y HN 0.082 nan 8.280 nan 0.000 0.544 452 G N 0.742 109.574 108.800 0.054 0.000 2.155 452 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.257 452 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.257 452 G C 0.142 175.067 174.900 0.041 0.000 0.983 452 G CA 0.611 45.729 45.100 0.030 0.000 0.676 452 G HN 0.404 nan 8.290 nan 0.000 0.528 453 S N -0.348 115.395 115.700 0.072 0.000 2.626 453 S HA 0.519 4.989 4.470 -0.000 0.000 0.275 453 S C -0.180 174.464 174.600 0.073 0.000 1.175 453 S CA -0.678 57.557 58.200 0.058 0.000 0.982 453 S CB 0.555 63.785 63.200 0.049 0.000 1.093 453 S HN 0.363 nan 8.310 nan 0.000 0.472 454 N N 1.809 120.535 118.700 0.044 0.000 2.415 454 N HA 0.162 4.902 4.740 -0.000 0.000 0.248 454 N C -0.037 175.509 175.510 0.060 0.000 1.271 454 N CA -0.069 53.007 53.050 0.043 0.000 0.913 454 N CB 0.686 39.189 38.487 0.028 0.000 1.129 454 N HN 0.472 nan 8.380 nan 0.000 0.444 455 V N 1.257 121.214 119.914 0.071 0.000 2.599 455 V HA 0.136 4.256 4.120 -0.000 0.000 0.300 455 V C 0.839 177.002 176.094 0.116 0.000 1.034 455 V CA -0.346 62.020 62.300 0.111 0.000 1.115 455 V CB 0.321 32.225 31.823 0.134 0.000 0.934 455 V HN 0.715 nan 8.190 nan 0.000 0.485 456 A N 4.680 127.560 122.820 0.099 0.000 2.316 456 A HA 0.763 5.083 4.320 -0.000 0.000 0.284 456 A C 0.591 178.143 177.584 -0.052 0.000 1.115 456 A CA -0.039 52.016 52.037 0.029 0.000 0.812 456 A CB 0.530 19.534 19.000 0.007 0.000 1.064 456 A HN 1.371 nan 8.150 nan 0.000 0.489 457 A N 2.998 125.734 122.820 -0.140 0.000 2.498 457 A HA 0.523 4.843 4.320 -0.000 0.000 0.239 457 A C -1.981 175.311 177.584 -0.486 0.000 1.068 457 A CA -0.875 50.942 52.037 -0.367 0.000 0.766 457 A CB -0.566 18.319 19.000 -0.192 0.000 1.003 457 A HN 0.674 nan 8.150 nan 0.000 0.497 458 P HA 0.178 nan 4.420 nan 0.000 0.275 458 P C 0.389 177.573 177.300 -0.194 0.000 1.227 458 P CA 0.170 62.863 63.100 -0.678 0.000 0.781 458 P CB 1.075 32.045 31.700 -1.217 0.000 0.906 459 T N -1.191 113.338 114.554 -0.042 0.000 3.004 459 T HA 0.289 4.639 4.350 -0.000 0.000 0.266 459 T C 0.605 175.401 174.700 0.160 0.000 0.986 459 T CA -0.021 62.135 62.100 0.093 0.000 0.902 459 T CB 0.165 69.056 68.868 0.039 0.000 1.118 459 T HN 0.187 nan 8.240 nan 0.000 0.522 460 I N 2.023 122.690 120.570 0.161 0.000 2.769 460 I HA 0.691 4.861 4.170 -0.000 0.000 0.298 460 I C -1.071 175.219 176.117 0.288 0.000 1.128 460 I CA -1.567 59.806 61.300 0.121 0.000 1.031 460 I CB 2.145 40.149 38.000 0.007 0.000 1.235 460 I HN 0.382 nan 8.210 nan 0.000 0.423 461 F N 3.865 123.847 119.950 0.054 0.000 2.685 461 F HA 0.755 5.282 4.527 -0.000 0.000 0.315 461 F C -2.166 173.595 175.800 -0.065 0.000 1.126 461 F CA -1.073 57.015 58.000 0.146 0.000 0.950 461 F CB 1.458 40.580 39.000 0.204 0.000 1.360 461 F HN 0.224 nan 8.300 nan 0.000 0.469 462 Y N 0.984 121.404 120.300 0.200 0.000 2.462 462 Y HA 0.580 5.130 4.550 -0.000 0.000 0.346 462 Y C -0.324 175.728 175.900 0.253 0.000 0.976 462 Y CA -1.137 57.033 58.100 0.116 0.000 1.044 462 Y CB 2.206 40.722 38.460 0.094 0.000 1.230 462 Y HN 0.462 nan 8.280 nan 0.000 0.455 463 K N 1.518 122.124 120.400 0.343 0.000 2.098 463 K HA 0.271 4.591 4.320 -0.000 0.000 0.261 463 K C -0.385 176.325 176.600 0.184 0.000 0.987 463 K CA -1.166 55.270 56.287 0.247 0.000 0.916 463 K CB 1.145 33.724 32.500 0.132 0.000 1.039 463 K HN 0.517 nan 8.250 nan 0.000 0.455 464 K N 2.124 122.589 120.400 0.109 0.000 2.491 464 K HA -0.166 4.154 4.320 -0.000 0.000 0.279 464 K C -0.407 176.197 176.600 0.007 0.000 1.026 464 K CA 0.512 56.827 56.287 0.046 0.000 1.070 464 K CB 0.073 32.577 32.500 0.008 0.000 0.887 464 K HN 0.579 nan 8.250 nan 0.000 0.481 465 N N 1.691 120.388 118.700 -0.006 0.000 2.800 465 N HA -0.217 4.523 4.740 -0.000 0.000 0.250 465 N C -1.349 174.215 175.510 0.089 0.000 1.078 465 N CA 1.554 54.583 53.050 -0.035 0.000 0.804 465 N CB -0.932 37.286 38.487 -0.448 0.000 1.135 465 N HN 0.736 nan 8.380 nan 0.000 0.565 466 D N -0.360 120.115 120.400 0.125 0.000 2.492 466 D HA 0.319 4.959 4.640 -0.000 0.000 0.248 466 D C -1.771 174.638 176.300 0.182 0.000 1.101 466 D CA -1.830 52.266 54.000 0.159 0.000 0.840 466 D CB 1.672 42.595 40.800 0.206 0.000 1.209 466 D HN -0.088 nan 8.370 nan 0.000 0.524 467 P HA 0.007 nan 4.420 nan 0.000 0.241 467 P C 0.127 177.523 177.300 0.161 0.000 1.191 467 P CA 0.089 63.268 63.100 0.131 0.000 0.771 467 P CB 0.078 31.817 31.700 0.065 0.000 0.929 468 T N 4.717 119.277 114.554 0.010 0.000 2.799 468 T HA 0.175 4.524 4.350 -0.000 0.000 0.296 468 T C -2.295 172.049 174.700 -0.592 0.000 0.947 468 T CA -0.857 61.049 62.100 -0.323 0.000 1.141 468 T CB 0.182 68.681 68.868 -0.615 0.000 0.891 468 T HN 0.146 nan 8.240 nan 0.000 0.533 469 P HA 0.228 nan 4.420 nan 0.000 0.281 469 P C -1.076 175.725 177.300 -0.831 0.000 1.286 469 P CA -0.398 62.170 63.100 -0.886 0.000 0.772 469 P CB 0.189 31.621 31.700 -0.447 0.000 0.862 470 Y N 1.831 121.692 120.300 -0.732 0.000 2.376 470 Y HA 0.373 4.923 4.550 -0.000 0.000 0.325 470 Y C 1.243 176.906 175.900 -0.395 0.000 1.199 470 Y CA -0.587 57.139 58.100 -0.624 0.000 1.206 470 Y CB 0.979 38.803 38.460 -1.061 0.000 1.229 470 Y HN 0.208 nan 8.280 nan 0.000 0.480 471 K N 1.770 122.192 120.400 0.036 0.000 2.322 471 K HA 0.132 4.452 4.320 -0.000 0.000 0.283 471 K C -1.767 175.038 176.600 0.342 0.000 1.042 471 K CA -0.154 56.211 56.287 0.130 0.000 0.958 471 K CB -0.088 32.459 32.500 0.079 0.000 0.984 471 K HN 0.590 nan 8.250 nan 0.000 0.473 472 Y N 6.938 127.400 120.300 0.270 0.000 2.330 472 Y HA 0.360 4.910 4.550 -0.000 0.000 0.336 472 Y C -1.869 174.082 175.900 0.085 0.000 1.036 472 Y CA -2.232 56.021 58.100 0.256 0.000 1.125 472 Y CB 1.793 40.407 38.460 0.258 0.000 1.194 472 Y HN 0.647 nan 8.280 nan 0.000 0.469 473 P HA 0.041 nan 4.420 nan 0.000 0.261 473 P C 0.291 177.382 177.300 -0.349 0.000 1.268 473 P CA 0.563 63.096 63.100 -0.946 0.000 0.833 473 P CB 0.655 31.804 31.700 -0.918 0.000 1.231 474 D N 1.014 121.333 120.400 -0.135 0.000 2.149 474 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 474 D C 0.933 177.235 176.300 0.004 0.000 0.990 474 D CA 1.286 55.254 54.000 -0.054 0.000 0.839 474 D CB -0.352 40.440 40.800 -0.013 0.000 0.948 474 D HN 0.172 nan 8.370 nan 0.000 0.460 475 D N -0.116 120.358 120.400 0.124 0.000 2.340 475 D HA 0.089 4.729 4.640 -0.000 0.000 0.220 475 D C 1.055 177.470 176.300 0.192 0.000 1.039 475 D CA -0.084 54.021 54.000 0.175 0.000 0.866 475 D CB 0.317 41.263 40.800 0.242 0.000 0.913 475 D HN 0.213 nan 8.370 nan 0.000 0.523 476 L N 0.000 121.235 121.223 0.020 0.000 2.949 476 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 476 L CA 0.000 54.716 54.840 -0.207 0.000 0.813 476 L CB 0.000 41.810 42.059 -0.415 0.000 0.961 476 L HN 0.000 nan 8.230 nan 0.000 0.502