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 2d3l_1_A DATA FIRST_RESID 5 DATA SEQUENCE TNGTMMQYFE WYLPNDGNHW NRLNSDASNL KSKGITAVWI PPAWKGASQN DATA SEQUENCE DVGYGAYDLY DLGEFNQKGT VRTKYGTRSQ LQAAVTSLKN NGIQVYGDVV DATA SEQUENCE MNHKGGADAT EMVRAVEVNP NNRNQEVTGE YTIEAWTRFD FPGRGNTHSS DATA SEQUENCE FKWRWYHFDG VDWDQSRRLN NRIYKFRGHG KAWDWEVDTE NGNYDYLMYA DATA SEQUENCE DIDMDHPEVV NELRNWGVWY TNTLGLDGFR IDAVKHIKYS FTRDWINHVR DATA SEQUENCE SATGKNMFAV AEFWKNDLGA IENYLQKTNW NHSVFDVPLH YNLYNASKSG DATA SEQUENCE GNYDMRNIFN GTVVQRHPSH AVTFVDNHDS QPEEALESFV EEWFKPLAYA DATA SEQUENCE LTLTREQGYP SVFYGDYYGI PTHGVPAMRS KIDPILEARQ KYAYGKQNDY DATA SEQUENCE LDHHNIIGWT REGNTAHPNS GLATIMSDGA GGSKWMFVGR NKAGQVWSDI DATA SEQUENCE TGNRTGTVTI NADGWGNFSV NGGSVSIWVN K 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.757 174.700 0.094 0.000 1.109 5 T CA 0.000 62.144 62.100 0.073 0.000 1.349 5 T CB 0.000 68.967 68.868 0.165 0.000 0.612 6 N N 1.700 120.428 118.700 0.047 0.000 2.667 6 N HA -0.114 4.626 4.740 0.000 0.000 0.263 6 N C 0.119 175.628 175.510 -0.003 0.000 1.038 6 N CA 1.527 54.575 53.050 -0.005 0.000 0.749 6 N CB -0.631 37.837 38.487 -0.032 0.000 0.892 6 N HN 0.950 nan 8.380 nan 0.000 0.546 7 G N -0.628 108.133 108.800 -0.065 0.000 2.477 7 G HA2 0.648 4.608 3.960 0.000 0.000 0.304 7 G HA3 0.648 4.608 3.960 0.000 0.000 0.304 7 G C -0.394 174.592 174.900 0.144 0.000 1.175 7 G CA -0.210 44.875 45.100 -0.024 0.000 0.907 7 G HN 0.165 nan 8.290 nan 0.000 0.509 8 T N 1.454 116.141 114.554 0.222 0.000 2.937 8 T HA 0.386 4.737 4.350 0.000 0.000 0.297 8 T C -0.223 174.623 174.700 0.243 0.000 0.991 8 T CA -0.391 61.867 62.100 0.262 0.000 0.990 8 T CB 1.392 70.341 68.868 0.136 0.000 0.991 8 T HN 0.557 nan 8.240 nan 0.000 0.440 9 M N 4.628 124.363 119.600 0.225 0.000 2.314 9 M HA 0.713 5.193 4.480 0.000 0.000 0.342 9 M C -1.080 175.340 176.300 0.200 0.000 1.171 9 M CA -0.709 54.677 55.300 0.144 0.000 1.098 9 M CB 1.271 33.837 32.600 -0.056 0.000 1.559 9 M HN 0.744 nan 8.290 nan 0.000 0.459 10 M N 4.419 124.161 119.600 0.236 0.000 2.204 10 M HA 0.283 4.763 4.480 0.000 0.000 0.293 10 M C -1.290 175.227 176.300 0.361 0.000 0.994 10 M CA -0.494 54.962 55.300 0.260 0.000 0.925 10 M CB 2.009 34.704 32.600 0.158 0.000 1.577 10 M HN 0.790 nan 8.290 nan 0.000 0.439 11 Q N 3.503 123.503 119.800 0.333 0.000 2.307 11 Q HA 0.039 4.379 4.340 0.000 0.000 0.261 11 Q C -1.549 174.518 176.000 0.112 0.000 1.051 11 Q CA 0.006 55.823 55.803 0.023 0.000 0.911 11 Q CB 0.483 29.038 28.738 -0.306 0.000 1.227 11 Q HN 0.801 nan 8.270 nan 0.000 0.418 12 Y N 7.430 127.799 120.300 0.115 0.000 2.930 12 Y HA 0.214 4.764 4.550 0.000 0.000 0.386 12 Y C -1.365 174.696 175.900 0.267 0.000 1.185 12 Y CA -0.489 57.799 58.100 0.313 0.000 1.922 12 Y CB -0.330 38.298 38.460 0.279 0.000 2.006 12 Y HN 0.562 nan 8.280 nan 0.000 0.431 13 F N -1.161 118.516 119.950 -0.455 0.000 2.829 13 F HA 0.514 5.041 4.527 0.000 0.000 0.319 13 F C -1.886 173.656 175.800 -0.430 0.000 1.153 13 F CA -1.808 55.713 58.000 -0.799 0.000 0.912 13 F CB 0.703 39.284 39.000 -0.700 0.000 1.292 13 F HN 0.009 nan 8.300 nan 0.000 0.447 14 E N 1.168 121.171 120.200 -0.328 0.000 2.393 14 E HA 0.262 4.612 4.350 0.000 0.000 0.273 14 E C -0.423 176.235 176.600 0.097 0.000 0.918 14 E CA -0.988 55.397 56.400 -0.025 0.000 0.773 14 E CB 1.742 31.417 29.700 -0.042 0.000 1.275 14 E HN 0.806 nan 8.360 nan 0.000 0.451 15 W N 1.570 122.881 121.300 0.018 0.000 2.338 15 W HA -0.152 4.508 4.660 0.000 0.000 0.304 15 W C -0.221 176.090 176.519 -0.346 0.000 1.212 15 W CA 1.213 58.459 57.345 -0.166 0.000 1.264 15 W CB 0.100 29.356 29.460 -0.340 0.000 1.142 15 W HN 0.690 nan 8.180 nan 0.000 0.512 16 Y N 0.525 120.948 120.300 0.205 0.000 2.596 16 Y HA 0.130 4.680 4.550 0.000 0.000 0.316 16 Y C 0.643 176.549 175.900 0.009 0.000 1.156 16 Y CA -0.501 57.675 58.100 0.127 0.000 1.300 16 Y CB -1.040 37.544 38.460 0.206 0.000 1.130 16 Y HN -0.366 nan 8.280 nan 0.000 0.518 17 L N 2.117 123.331 121.223 -0.015 0.000 2.483 17 L HA 0.161 4.502 4.340 0.000 0.000 0.275 17 L C -2.143 174.667 176.870 -0.100 0.000 1.220 17 L CA -2.283 52.493 54.840 -0.106 0.000 0.833 17 L CB 0.088 41.968 42.059 -0.298 0.000 1.102 17 L HN 0.013 nan 8.230 nan 0.000 0.490 18 P HA 0.101 nan 4.420 nan 0.000 0.275 18 P C -0.771 176.439 177.300 -0.150 0.000 1.227 18 P CA -0.291 62.763 63.100 -0.077 0.000 0.781 18 P CB 0.336 32.011 31.700 -0.041 0.000 0.906 19 N N 2.530 121.138 118.700 -0.154 0.000 3.178 19 N HA -0.025 4.715 4.740 0.000 0.000 0.300 19 N C -0.194 175.225 175.510 -0.151 0.000 1.242 19 N CA -0.022 52.903 53.050 -0.207 0.000 1.192 19 N CB -0.707 37.667 38.487 -0.189 0.000 1.463 19 N HN 0.252 nan 8.380 nan 0.000 0.539 20 D N -0.031 120.285 120.400 -0.139 0.000 2.431 20 D HA 0.171 4.811 4.640 0.000 0.000 0.213 20 D C 1.140 177.388 176.300 -0.087 0.000 1.130 20 D CA -0.036 53.910 54.000 -0.089 0.000 0.834 20 D CB -0.493 40.274 40.800 -0.055 0.000 0.985 20 D HN 0.239 nan 8.370 nan 0.000 0.504 21 G N 1.000 109.717 108.800 -0.139 0.000 2.296 21 G HA2 -0.396 3.564 3.960 0.000 0.000 0.282 21 G HA3 -0.396 3.564 3.960 0.000 0.000 0.282 21 G C 0.623 175.490 174.900 -0.055 0.000 1.014 21 G CA 0.630 45.658 45.100 -0.120 0.000 0.812 21 G HN 0.498 nan 8.290 nan 0.000 0.508 22 N N -1.220 117.458 118.700 -0.037 0.000 2.282 22 N HA 0.230 4.970 4.740 0.000 0.000 0.240 22 N C 1.227 176.765 175.510 0.047 0.000 1.182 22 N CA 0.157 53.217 53.050 0.016 0.000 0.874 22 N CB 0.116 38.615 38.487 0.019 0.000 1.126 22 N HN 0.429 nan 8.380 nan 0.000 0.516 23 H N -1.079 117.908 119.070 -0.139 0.000 2.363 23 H HA 0.047 4.603 4.556 0.000 0.000 0.301 23 H C 1.049 176.362 175.328 -0.025 0.000 1.074 23 H CA 1.799 57.763 56.048 -0.141 0.000 1.354 23 H CB -0.007 29.594 29.762 -0.268 0.000 1.397 23 H HN 0.352 nan 8.280 nan 0.000 0.516 24 W N 0.627 121.946 121.300 0.032 0.000 2.363 24 W HA -0.169 4.491 4.660 0.000 0.000 0.296 24 W C 1.983 178.454 176.519 -0.079 0.000 1.212 24 W CA 0.377 57.683 57.345 -0.065 0.000 1.260 24 W CB -0.044 29.409 29.460 -0.012 0.000 1.131 24 W HN 0.215 nan 8.180 nan 0.000 0.530 25 N N 0.311 119.116 118.700 0.175 0.000 2.216 25 N HA -0.081 4.659 4.740 0.000 0.000 0.183 25 N C 1.604 177.144 175.510 0.051 0.000 1.017 25 N CA 1.106 54.212 53.050 0.093 0.000 0.861 25 N CB -0.604 37.927 38.487 0.074 0.000 0.986 25 N HN 0.239 nan 8.380 nan 0.000 0.428 26 R N 0.400 120.926 120.500 0.044 0.000 2.073 26 R HA -0.078 4.262 4.340 0.000 0.000 0.234 26 R C 2.053 178.388 176.300 0.058 0.000 1.134 26 R CA 0.828 56.965 56.100 0.062 0.000 0.952 26 R CB -0.505 29.863 30.300 0.113 0.000 0.850 26 R HN 0.131 nan 8.270 nan 0.000 0.433 27 L N 1.749 122.962 121.223 -0.017 0.000 2.046 27 L HA -0.180 4.161 4.340 0.000 0.000 0.208 27 L C 1.933 178.711 176.870 -0.153 0.000 1.077 27 L CA 1.770 56.472 54.840 -0.230 0.000 0.747 27 L CB -0.865 41.031 42.059 -0.272 0.000 0.896 27 L HN 0.132 nan 8.230 nan 0.000 0.432 28 N N -0.126 118.542 118.700 -0.052 0.000 2.018 28 N HA -0.217 4.523 4.740 0.000 0.000 0.196 28 N C 1.827 177.313 175.510 -0.039 0.000 1.043 28 N CA 2.088 55.113 53.050 -0.042 0.000 0.856 28 N CB -0.334 38.152 38.487 -0.003 0.000 1.042 28 N HN 0.626 nan 8.380 nan 0.000 0.423 29 S N -1.641 114.050 115.700 -0.015 0.000 2.607 29 S HA 0.010 4.480 4.470 0.000 0.000 0.224 29 S C 1.117 175.719 174.600 0.003 0.000 0.969 29 S CA 0.550 58.747 58.200 -0.005 0.000 0.927 29 S CB 0.211 63.414 63.200 0.006 0.000 0.772 29 S HN 0.267 nan 8.310 nan 0.000 0.533 30 D N 0.845 121.243 120.400 -0.003 0.000 2.369 30 D HA 0.447 5.087 4.640 0.000 0.000 0.211 30 D C 1.807 178.105 176.300 -0.004 0.000 1.077 30 D CA 0.531 54.553 54.000 0.037 0.000 0.842 30 D CB 0.044 40.921 40.800 0.128 0.000 0.947 30 D HN 0.341 nan 8.370 nan 0.000 0.509 31 A N -0.113 122.673 122.820 -0.057 0.000 1.873 31 A HA -0.217 4.103 4.320 0.000 0.000 0.218 31 A C 2.277 179.840 177.584 -0.035 0.000 1.193 31 A CA 2.123 54.117 52.037 -0.072 0.000 0.629 31 A CB -1.095 17.855 19.000 -0.083 0.000 0.826 31 A HN 0.270 nan 8.150 nan 0.000 0.447 32 S N -0.183 115.505 115.700 -0.020 0.000 2.359 32 S HA -0.244 4.226 4.470 0.000 0.000 0.224 32 S C 2.091 176.696 174.600 0.009 0.000 1.035 32 S CA 1.762 59.957 58.200 -0.009 0.000 1.018 32 S CB -0.705 62.492 63.200 -0.005 0.000 0.876 32 S HN 0.755 nan 8.310 nan 0.000 0.448 33 N N 0.437 119.155 118.700 0.031 0.000 2.084 33 N HA -0.104 4.636 4.740 0.000 0.000 0.190 33 N C 1.980 177.527 175.510 0.062 0.000 1.030 33 N CA 1.625 54.713 53.050 0.062 0.000 0.849 33 N CB -0.291 38.261 38.487 0.107 0.000 1.012 33 N HN 0.444 nan 8.380 nan 0.000 0.423 34 L N 0.754 122.007 121.223 0.050 0.000 2.017 34 L HA -0.160 4.180 4.340 0.000 0.000 0.208 34 L C 2.663 179.527 176.870 -0.010 0.000 1.073 34 L CA 1.185 56.033 54.840 0.014 0.000 0.745 34 L CB -0.492 41.561 42.059 -0.010 0.000 0.894 34 L HN 0.190 nan 8.230 nan 0.000 0.432 35 K N 0.676 121.067 120.400 -0.015 0.000 2.147 35 K HA -0.154 4.166 4.320 0.000 0.000 0.205 35 K C 2.251 178.847 176.600 -0.006 0.000 1.049 35 K CA 1.761 58.038 56.287 -0.018 0.000 0.936 35 K CB -0.278 32.207 32.500 -0.026 0.000 0.722 35 K HN 0.370 nan 8.250 nan 0.000 0.446 36 S N -0.360 115.342 115.700 0.004 0.000 2.428 36 S HA -0.015 4.455 4.470 0.000 0.000 0.230 36 S C 1.574 176.184 174.600 0.015 0.000 1.014 36 S CA 0.485 58.690 58.200 0.009 0.000 0.957 36 S CB -0.160 63.049 63.200 0.015 0.000 0.784 36 S HN 0.102 nan 8.310 nan 0.000 0.499 37 K N 1.081 121.494 120.400 0.020 0.000 2.486 37 K HA 0.196 4.516 4.320 0.000 0.000 0.194 37 K C 1.392 177.995 176.600 0.005 0.000 1.033 37 K CA 0.718 57.019 56.287 0.024 0.000 1.004 37 K CB -0.358 32.166 32.500 0.040 0.000 0.798 37 K HN 0.675 nan 8.250 nan 0.000 0.495 38 G N 0.955 109.755 108.800 0.000 0.000 2.154 38 G HA2 -0.160 3.800 3.960 0.000 0.000 0.186 38 G HA3 -0.160 3.800 3.960 0.000 0.000 0.186 38 G C -0.068 174.834 174.900 0.003 0.000 1.000 38 G CA -0.516 44.587 45.100 0.006 0.000 0.664 38 G HN 0.106 nan 8.290 nan 0.000 0.513 39 I N 2.411 122.970 120.570 -0.017 0.000 2.371 39 I HA 0.377 4.547 4.170 0.000 0.000 0.290 39 I C 1.681 177.792 176.117 -0.009 0.000 1.028 39 I CA 0.886 62.178 61.300 -0.014 0.000 1.345 39 I CB 0.980 38.953 38.000 -0.046 0.000 1.407 39 I HN 0.295 nan 8.210 nan 0.000 0.501 40 T N 1.851 116.411 114.554 0.010 0.000 3.044 40 T HA 0.580 4.930 4.350 0.000 0.000 0.260 40 T C 0.330 174.994 174.700 -0.060 0.000 1.019 40 T CA -0.099 61.992 62.100 -0.015 0.000 0.921 40 T CB 0.447 69.317 68.868 0.003 0.000 1.053 40 T HN 0.653 nan 8.240 nan 0.000 0.533 41 A N 0.554 123.335 122.820 -0.065 0.000 2.540 41 A HA 0.682 5.002 4.320 0.000 0.000 0.297 41 A C -1.355 176.152 177.584 -0.129 0.000 1.056 41 A CA -0.656 51.247 52.037 -0.224 0.000 0.700 41 A CB 1.774 20.549 19.000 -0.374 0.000 1.280 41 A HN 0.243 nan 8.150 nan 0.000 0.398 42 V N 2.098 121.919 119.914 -0.155 0.000 2.448 42 V HA 0.521 4.641 4.120 0.000 0.000 0.295 42 V C -0.863 175.355 176.094 0.206 0.000 1.025 42 V CA -0.352 61.977 62.300 0.049 0.000 0.859 42 V CB 1.634 33.448 31.823 -0.015 0.000 0.988 42 V HN 0.965 nan 8.190 nan 0.000 0.431 43 W N 8.588 130.038 121.300 0.249 0.000 2.283 43 W HA 0.646 5.306 4.660 0.000 0.000 0.317 43 W C -0.255 176.522 176.519 0.430 0.000 1.042 43 W CA -1.927 55.659 57.345 0.401 0.000 1.348 43 W CB 0.465 30.236 29.460 0.519 0.000 1.216 43 W HN 0.646 nan 8.180 nan 0.000 0.404 44 I N 6.231 127.122 120.570 0.535 0.000 2.764 44 I HA 0.573 4.743 4.170 0.000 0.000 0.294 44 I C -1.807 174.313 176.117 0.004 0.000 1.045 44 I CA -2.343 59.120 61.300 0.271 0.000 1.340 44 I CB 0.959 39.114 38.000 0.259 0.000 1.436 44 I HN 0.225 nan 8.210 nan 0.000 0.567 45 P HA 0.272 nan 4.420 nan 0.000 0.274 45 P C -2.636 174.211 177.300 -0.754 0.000 1.256 45 P CA -1.534 60.611 63.100 -1.590 0.000 0.795 45 P CB -0.588 29.553 31.700 -2.598 0.000 1.038 46 P HA -0.070 nan 4.420 nan 0.000 0.260 46 P C 0.430 177.256 177.300 -0.789 0.000 1.172 46 P CA 0.890 63.277 63.100 -1.189 0.000 0.760 46 P CB -0.183 30.716 31.700 -1.335 0.000 0.773 47 A N 3.654 126.111 122.820 -0.605 0.000 2.238 47 A HA 0.091 4.411 4.320 0.000 0.000 0.210 47 A C 0.283 177.943 177.584 0.127 0.000 1.179 47 A CA 0.008 52.084 52.037 0.066 0.000 0.827 47 A CB -0.618 18.502 19.000 0.200 0.000 0.856 47 A HN 0.681 nan 8.150 nan 0.000 0.488 48 W N -0.944 120.502 121.300 0.243 0.000 2.260 48 W HA 0.695 5.355 4.660 0.000 0.000 0.366 48 W C -0.050 176.551 176.519 0.137 0.000 1.315 48 W CA -1.955 55.496 57.345 0.178 0.000 1.458 48 W CB 0.288 29.787 29.460 0.066 0.000 1.255 48 W HN -0.150 nan 8.180 nan 0.000 0.671 49 K N 1.339 122.015 120.400 0.460 0.000 2.383 49 K HA 0.410 4.730 4.320 0.000 0.000 0.286 49 K C 0.290 177.131 176.600 0.403 0.000 1.051 49 K CA 0.329 56.833 56.287 0.362 0.000 0.974 49 K CB 0.349 33.104 32.500 0.426 0.000 0.968 49 K HN 0.712 nan 8.250 nan 0.000 0.475 50 G N 2.086 111.014 108.800 0.213 0.000 2.531 50 G HA2 0.413 4.373 3.960 0.000 0.000 0.281 50 G HA3 0.413 4.373 3.960 0.000 0.000 0.281 50 G C 0.446 175.404 174.900 0.097 0.000 1.382 50 G CA -0.140 45.057 45.100 0.163 0.000 1.045 50 G HN 0.698 nan 8.290 nan 0.000 0.533 51 A N -1.242 121.577 122.820 -0.001 0.000 2.172 51 A HA 0.393 4.713 4.320 0.000 0.000 0.216 51 A C 1.374 178.875 177.584 -0.138 0.000 1.154 51 A CA 1.701 53.675 52.037 -0.104 0.000 0.701 51 A CB -0.611 18.314 19.000 -0.126 0.000 0.789 51 A HN 1.711 nan 8.150 nan 0.000 0.465 52 S N -3.347 112.295 115.700 -0.098 0.000 2.636 52 S HA 0.319 4.789 4.470 0.000 0.000 0.268 52 S C 0.331 174.868 174.600 -0.105 0.000 1.159 52 S CA 0.119 58.257 58.200 -0.105 0.000 0.815 52 S CB 0.739 63.878 63.200 -0.102 0.000 1.130 52 S HN 0.196 nan 8.310 nan 0.000 0.471 53 Q N 0.793 120.529 119.800 -0.107 0.000 2.119 53 Q HA -0.149 4.191 4.340 0.000 0.000 0.201 53 Q C 0.926 176.800 176.000 -0.210 0.000 0.972 53 Q CA 2.213 57.936 55.803 -0.133 0.000 0.847 53 Q CB -0.383 28.291 28.738 -0.105 0.000 0.903 53 Q HN 0.815 nan 8.270 nan 0.000 0.433 54 N N 0.131 118.716 118.700 -0.193 0.000 2.314 54 N HA -0.025 4.715 4.740 0.000 0.000 0.200 54 N C -0.536 174.802 175.510 -0.287 0.000 1.135 54 N CA 0.033 52.936 53.050 -0.246 0.000 0.835 54 N CB 0.056 38.440 38.487 -0.171 0.000 0.989 54 N HN 0.097 nan 8.380 nan 0.000 0.478 55 D N 0.373 120.617 120.400 -0.260 0.000 2.389 55 D HA 0.009 4.649 4.640 0.000 0.000 0.247 55 D C 1.080 177.133 176.300 -0.412 0.000 1.128 55 D CA -0.207 53.642 54.000 -0.251 0.000 0.884 55 D CB 1.773 42.490 40.800 -0.139 0.000 1.194 55 D HN -0.151 nan 8.370 nan 0.000 0.441 56 V N 3.564 123.160 119.914 -0.530 0.000 2.720 56 V HA -0.035 4.085 4.120 0.000 0.000 0.256 56 V C 1.881 177.661 176.094 -0.523 0.000 1.082 56 V CA 1.856 63.769 62.300 -0.644 0.000 1.101 56 V CB -0.496 30.681 31.823 -1.076 0.000 0.693 56 V HN 0.949 nan 8.190 nan 0.000 0.479 57 G N -2.106 106.445 108.800 -0.415 0.000 2.480 57 G HA2 -0.245 3.715 3.960 0.000 0.000 0.193 57 G HA3 -0.245 3.715 3.960 0.000 0.000 0.193 57 G C 0.520 175.326 174.900 -0.157 0.000 1.004 57 G CA 0.149 45.009 45.100 -0.401 0.000 0.696 57 G HN 0.382 nan 8.290 nan 0.000 0.478 58 Y N 1.447 121.847 120.300 0.166 0.000 2.561 58 Y HA 0.319 4.869 4.550 0.000 0.000 0.291 58 Y C 2.381 178.502 175.900 0.368 0.000 1.141 58 Y CA 0.753 59.051 58.100 0.331 0.000 1.303 58 Y CB 0.035 38.716 38.460 0.368 0.000 1.015 58 Y HN 0.330 nan 8.280 nan 0.000 0.547 59 G N 0.534 109.517 108.800 0.305 0.000 3.717 59 G HA2 0.384 4.345 3.960 0.000 0.000 0.258 59 G HA3 0.384 4.345 3.960 0.000 0.000 0.258 59 G C 0.062 174.977 174.900 0.026 0.000 1.088 59 G CA -0.177 44.961 45.100 0.063 0.000 1.737 59 G HN 0.335 nan 8.290 nan 0.000 0.648 60 A N 0.847 123.746 122.820 0.132 0.000 2.540 60 A HA 0.209 4.529 4.320 0.000 0.000 0.264 60 A C 0.643 178.191 177.584 -0.060 0.000 1.080 60 A CA 0.047 52.111 52.037 0.044 0.000 0.776 60 A CB 0.073 18.908 19.000 -0.276 0.000 1.011 60 A HN 0.752 nan 8.150 nan 0.000 0.514 61 Y N 2.114 122.395 120.300 -0.032 0.000 2.284 61 Y HA 0.246 4.796 4.550 0.000 0.000 0.293 61 Y C 0.184 176.124 175.900 0.068 0.000 1.140 61 Y CA 1.018 59.169 58.100 0.085 0.000 1.153 61 Y CB 0.593 39.162 38.460 0.182 0.000 1.114 61 Y HN 0.550 nan 8.280 nan 0.000 0.521 62 D N 0.035 120.288 120.400 -0.245 0.000 2.575 62 D HA 0.226 4.866 4.640 0.000 0.000 0.250 62 D C -0.006 176.074 176.300 -0.367 0.000 1.279 62 D CA -0.191 53.504 54.000 -0.509 0.000 0.925 62 D CB 0.977 41.450 40.800 -0.545 0.000 1.261 62 D HN 0.304 nan 8.370 nan 0.000 0.567 63 L N 2.732 123.527 121.223 -0.712 0.000 2.551 63 L HA -0.009 4.331 4.340 0.000 0.000 0.228 63 L C 0.759 177.488 176.870 -0.236 0.000 1.153 63 L CA 0.604 54.965 54.840 -0.798 0.000 0.851 63 L CB -0.219 40.681 42.059 -1.932 0.000 0.959 63 L HN 0.470 nan 8.230 nan 0.000 0.451 64 Y N -1.547 118.660 120.300 -0.155 0.000 2.467 64 Y HA 0.130 4.681 4.550 0.000 0.000 0.250 64 Y C 0.565 176.611 175.900 0.243 0.000 1.155 64 Y CA -0.591 57.437 58.100 -0.121 0.000 1.249 64 Y CB 0.331 38.539 38.460 -0.421 0.000 1.146 64 Y HN -0.007 nan 8.280 nan 0.000 0.524 65 D N 0.676 121.323 120.400 0.412 0.000 2.477 65 D HA 0.238 4.879 4.640 0.000 0.000 0.239 65 D C -0.443 176.144 176.300 0.479 0.000 1.102 65 D CA -0.104 54.236 54.000 0.568 0.000 0.901 65 D CB 0.315 41.429 40.800 0.524 0.000 1.026 65 D HN 0.183 nan 8.370 nan 0.000 0.515 66 L N 3.074 124.569 121.223 0.453 0.000 2.998 66 L HA 0.379 4.719 4.340 0.000 0.000 0.234 66 L C 1.359 178.389 176.870 0.267 0.000 1.350 66 L CA -0.328 54.736 54.840 0.374 0.000 1.202 66 L CB -0.072 42.194 42.059 0.345 0.000 1.583 66 L HN 0.659 nan 8.230 nan 0.000 0.456 67 G N 0.719 109.674 108.800 0.259 0.000 2.182 67 G HA2 -0.291 3.670 3.960 0.000 0.000 0.248 67 G HA3 -0.291 3.670 3.960 0.000 0.000 0.248 67 G C 0.527 175.486 174.900 0.097 0.000 1.042 67 G CA 0.585 45.801 45.100 0.194 0.000 0.775 67 G HN 0.636 nan 8.290 nan 0.000 0.501 68 E N -1.357 118.856 120.200 0.022 0.000 2.434 68 E HA 0.395 4.745 4.350 0.000 0.000 0.207 68 E C 0.066 176.383 176.600 -0.471 0.000 0.929 68 E CA -0.283 55.954 56.400 -0.271 0.000 1.001 68 E CB 0.371 29.803 29.700 -0.446 0.000 1.016 68 E HN 0.364 nan 8.360 nan 0.000 0.502 69 F N 0.978 121.043 119.950 0.193 0.000 2.522 69 F HA 0.344 4.871 4.527 0.000 0.000 0.324 69 F C 0.266 176.160 175.800 0.157 0.000 1.077 69 F CA -1.334 56.769 58.000 0.173 0.000 0.944 69 F CB 1.045 40.162 39.000 0.196 0.000 1.175 69 F HN -0.198 nan 8.300 nan 0.000 0.468 70 N N 3.083 121.979 118.700 0.327 0.000 2.406 70 N HA 0.113 4.853 4.740 0.000 0.000 0.269 70 N C -1.254 174.391 175.510 0.226 0.000 1.210 70 N CA 0.372 53.551 53.050 0.215 0.000 0.966 70 N CB -0.095 38.489 38.487 0.163 0.000 1.293 70 N HN 0.683 nan 8.380 nan 0.000 0.491 71 Q N 1.940 121.867 119.800 0.212 0.000 2.320 71 Q HA 0.246 4.586 4.340 0.000 0.000 0.272 71 Q C -0.456 175.590 176.000 0.077 0.000 1.023 71 Q CA -0.819 55.101 55.803 0.194 0.000 0.855 71 Q CB 1.630 30.594 28.738 0.377 0.000 1.367 71 Q HN 0.247 nan 8.270 nan 0.000 0.406 72 K N -0.005 120.370 120.400 -0.041 0.000 3.339 72 K HA -0.202 4.118 4.320 0.000 0.000 0.299 72 K C 0.426 176.989 176.600 -0.061 0.000 1.270 72 K CA 1.125 57.336 56.287 -0.126 0.000 0.875 72 K CB -1.767 30.625 32.500 -0.180 0.000 1.298 72 K HN 1.236 nan 8.250 nan 0.000 0.485 73 G N -1.019 107.771 108.800 -0.017 0.000 2.157 73 G HA2 -0.284 3.676 3.960 0.000 0.000 0.248 73 G HA3 -0.284 3.676 3.960 0.000 0.000 0.248 73 G C 0.084 174.987 174.900 0.005 0.000 0.979 73 G CA 1.175 46.270 45.100 -0.008 0.000 0.650 73 G HN 0.845 nan 8.290 nan 0.000 0.529 74 T N -2.436 112.134 114.554 0.026 0.000 2.802 74 T HA 0.543 4.893 4.350 0.000 0.000 0.311 74 T C 0.935 175.679 174.700 0.074 0.000 1.405 74 T CA 0.480 62.599 62.100 0.033 0.000 1.016 74 T CB 1.663 70.532 68.868 0.003 0.000 1.352 74 T HN 0.509 nan 8.240 nan 0.000 0.498 75 V N 2.260 122.217 119.914 0.071 0.000 2.521 75 V HA 0.234 4.354 4.120 0.000 0.000 0.239 75 V C 1.545 177.697 176.094 0.097 0.000 1.053 75 V CA 0.989 63.347 62.300 0.097 0.000 1.073 75 V CB -0.506 31.361 31.823 0.073 0.000 0.746 75 V HN 0.868 nan 8.190 nan 0.000 0.476 76 R N 1.712 122.253 120.500 0.067 0.000 2.726 76 R HA 0.273 4.614 4.340 0.000 0.000 0.272 76 R C 0.386 176.713 176.300 0.046 0.000 1.097 76 R CA 0.372 56.516 56.100 0.073 0.000 1.198 76 R CB 0.056 30.384 30.300 0.046 0.000 1.114 76 R HN 0.399 nan 8.270 nan 0.000 0.550 77 T N -2.432 112.147 114.554 0.043 0.000 2.888 77 T HA 0.151 4.502 4.350 0.000 0.000 0.283 77 T C 1.045 175.589 174.700 -0.261 0.000 1.013 77 T CA -0.708 61.356 62.100 -0.060 0.000 0.938 77 T CB 0.919 69.801 68.868 0.024 0.000 1.298 77 T HN 0.753 nan 8.240 nan 0.000 0.580 78 K N -0.686 119.383 120.400 -0.552 0.000 2.147 78 K HA -0.138 4.182 4.320 0.000 0.000 0.205 78 K C 1.522 177.624 176.600 -0.829 0.000 1.049 78 K CA 1.449 57.273 56.287 -0.772 0.000 0.936 78 K CB -0.354 31.460 32.500 -1.145 0.000 0.722 78 K HN 0.706 nan 8.250 nan 0.000 0.446 79 Y N -0.596 119.427 120.300 -0.463 0.000 2.517 79 Y HA 0.263 4.813 4.550 0.000 0.000 0.281 79 Y C 1.226 176.715 175.900 -0.684 0.000 1.125 79 Y CA 0.347 57.990 58.100 -0.762 0.000 1.283 79 Y CB 0.587 38.159 38.460 -1.481 0.000 1.042 79 Y HN 0.253 nan 8.280 nan 0.000 0.547 80 G N -0.567 108.142 108.800 -0.152 0.000 2.340 80 G HA2 0.195 4.155 3.960 0.000 0.000 0.282 80 G HA3 0.195 4.155 3.960 0.000 0.000 0.282 80 G C -0.684 174.406 174.900 0.316 0.000 1.312 80 G CA -0.619 44.563 45.100 0.137 0.000 0.942 80 G HN 0.180 nan 8.290 nan 0.000 0.495 81 T N -1.910 112.824 114.554 0.300 0.000 2.881 81 T HA 0.547 4.897 4.350 0.000 0.000 0.278 81 T C 1.489 176.297 174.700 0.181 0.000 0.982 81 T CA 0.491 62.711 62.100 0.199 0.000 0.989 81 T CB 1.946 70.879 68.868 0.109 0.000 1.058 81 T HN 0.902 nan 8.240 nan 0.000 0.529 82 R N 0.341 120.893 120.500 0.088 0.000 2.096 82 R HA -0.123 4.217 4.340 0.000 0.000 0.235 82 R C 2.447 178.713 176.300 -0.056 0.000 1.127 82 R CA 1.971 58.077 56.100 0.009 0.000 0.968 82 R CB -0.689 29.623 30.300 0.020 0.000 0.861 82 R HN 0.822 nan 8.270 nan 0.000 0.440 83 S N -0.034 115.656 115.700 -0.017 0.000 2.383 83 S HA -0.157 4.313 4.470 0.000 0.000 0.227 83 S C 1.876 176.453 174.600 -0.038 0.000 1.026 83 S CA 0.893 59.074 58.200 -0.031 0.000 0.981 83 S CB -0.170 63.026 63.200 -0.006 0.000 0.818 83 S HN 0.484 nan 8.310 nan 0.000 0.472 84 Q N 0.438 120.249 119.800 0.018 0.000 2.079 84 Q HA 0.015 4.355 4.340 0.000 0.000 0.200 84 Q C 2.262 178.230 176.000 -0.053 0.000 0.974 84 Q CA 1.333 57.176 55.803 0.067 0.000 0.840 84 Q CB -0.447 28.425 28.738 0.224 0.000 0.898 84 Q HN 0.550 nan 8.270 nan 0.000 0.430 85 L N 1.023 122.043 121.223 -0.339 0.000 1.994 85 L HA -0.228 4.112 4.340 0.000 0.000 0.208 85 L C 2.048 178.608 176.870 -0.517 0.000 1.071 85 L CA 1.902 56.176 54.840 -0.943 0.000 0.745 85 L CB -0.478 40.820 42.059 -1.268 0.000 0.892 85 L HN 0.149 nan 8.230 nan 0.000 0.431 86 Q N -0.675 118.928 119.800 -0.328 0.000 2.224 86 Q HA -0.092 4.248 4.340 0.000 0.000 0.203 86 Q C 2.169 178.064 176.000 -0.174 0.000 0.970 86 Q CA 1.241 56.901 55.803 -0.237 0.000 0.865 86 Q CB -0.266 28.367 28.738 -0.176 0.000 0.922 86 Q HN 0.726 nan 8.270 nan 0.000 0.445 87 A N 0.842 123.582 122.820 -0.134 0.000 1.968 87 A HA -0.002 4.318 4.320 0.000 0.000 0.217 87 A C 2.216 179.743 177.584 -0.096 0.000 1.169 87 A CA 1.265 53.249 52.037 -0.088 0.000 0.638 87 A CB -0.417 18.555 19.000 -0.046 0.000 0.812 87 A HN 0.369 nan 8.150 nan 0.000 0.446 88 A N -0.329 122.418 122.820 -0.122 0.000 1.855 88 A HA 0.029 4.349 4.320 0.000 0.000 0.215 88 A C 2.187 179.679 177.584 -0.152 0.000 1.191 88 A CA 1.661 53.630 52.037 -0.114 0.000 0.613 88 A CB -1.010 17.935 19.000 -0.091 0.000 0.829 88 A HN 0.367 nan 8.150 nan 0.000 0.442 89 V N 0.115 119.906 119.914 -0.205 0.000 2.282 89 V HA -0.281 3.839 4.120 0.000 0.000 0.249 89 V C 2.744 178.749 176.094 -0.149 0.000 1.057 89 V CA 2.591 64.776 62.300 -0.192 0.000 1.032 89 V CB -1.508 30.180 31.823 -0.225 0.000 0.645 89 V HN 0.615 nan 8.190 nan 0.000 0.447 90 T N -0.607 113.867 114.554 -0.134 0.000 2.684 90 T HA -0.257 4.093 4.350 0.000 0.000 0.267 90 T C 2.142 176.786 174.700 -0.092 0.000 1.036 90 T CA 2.041 64.077 62.100 -0.106 0.000 1.148 90 T CB -0.413 68.400 68.868 -0.090 0.000 0.863 90 T HN 0.524 nan 8.240 nan 0.000 0.436 91 S N 0.562 116.208 115.700 -0.090 0.000 2.370 91 S HA -0.040 4.430 4.470 0.000 0.000 0.226 91 S C 2.011 176.559 174.600 -0.087 0.000 1.033 91 S CA 0.990 59.143 58.200 -0.078 0.000 1.011 91 S CB -0.483 62.673 63.200 -0.072 0.000 0.852 91 S HN 0.431 nan 8.310 nan 0.000 0.457 92 L N 0.785 121.944 121.223 -0.107 0.000 2.093 92 L HA -0.034 4.306 4.340 0.000 0.000 0.208 92 L C 2.757 179.566 176.870 -0.102 0.000 1.085 92 L CA 1.016 55.788 54.840 -0.113 0.000 0.755 92 L CB -0.405 41.572 42.059 -0.137 0.000 0.904 92 L HN 0.181 nan 8.230 nan 0.000 0.435 93 K N 0.073 120.411 120.400 -0.103 0.000 2.057 93 K HA -0.107 4.213 4.320 0.000 0.000 0.207 93 K C 1.813 178.367 176.600 -0.077 0.000 1.049 93 K CA 1.073 57.304 56.287 -0.094 0.000 0.931 93 K CB -0.512 31.929 32.500 -0.098 0.000 0.714 93 K HN 0.322 nan 8.250 nan 0.000 0.440 94 N N 1.299 119.956 118.700 -0.071 0.000 2.244 94 N HA -0.096 4.644 4.740 0.000 0.000 0.183 94 N C 0.997 176.475 175.510 -0.053 0.000 1.016 94 N CA 0.713 53.728 53.050 -0.058 0.000 0.866 94 N CB -0.198 38.257 38.487 -0.053 0.000 0.980 94 N HN 0.238 nan 8.380 nan 0.000 0.430 95 N N 0.385 119.050 118.700 -0.058 0.000 2.313 95 N HA 0.060 4.800 4.740 0.000 0.000 0.207 95 N C 0.494 175.972 175.510 -0.053 0.000 1.141 95 N CA 0.275 53.294 53.050 -0.051 0.000 0.830 95 N CB 0.491 38.947 38.487 -0.051 0.000 1.008 95 N HN 0.208 nan 8.380 nan 0.000 0.481 96 G N 1.427 110.192 108.800 -0.058 0.000 2.249 96 G HA2 -0.274 3.686 3.960 0.000 0.000 0.273 96 G HA3 -0.274 3.686 3.960 0.000 0.000 0.273 96 G C -0.022 174.838 174.900 -0.068 0.000 1.036 96 G CA 0.022 45.087 45.100 -0.059 0.000 0.824 96 G HN 0.355 nan 8.290 nan 0.000 0.504 97 I N 0.188 120.708 120.570 -0.083 0.000 2.377 97 I HA 0.275 4.445 4.170 0.000 0.000 0.293 97 I C 0.814 176.851 176.117 -0.133 0.000 0.987 97 I CA -0.763 60.476 61.300 -0.103 0.000 1.185 97 I CB 1.434 39.371 38.000 -0.105 0.000 1.341 97 I HN 0.141 nan 8.210 nan 0.000 0.455 98 Q N 3.874 123.573 119.800 -0.168 0.000 2.368 98 Q HA 0.419 4.759 4.340 0.000 0.000 0.237 98 Q C -0.992 174.824 176.000 -0.305 0.000 0.987 98 Q CA -0.393 55.282 55.803 -0.214 0.000 0.896 98 Q CB 1.944 30.549 28.738 -0.222 0.000 1.241 98 Q HN 0.399 nan 8.270 nan 0.000 0.485 99 V N 2.531 122.299 119.914 -0.243 0.000 2.444 99 V HA 0.265 4.385 4.120 0.000 0.000 0.294 99 V C -1.335 174.747 176.094 -0.019 0.000 1.022 99 V CA -0.810 61.383 62.300 -0.177 0.000 0.850 99 V CB 0.752 32.497 31.823 -0.130 0.000 0.992 99 V HN 0.566 nan 8.190 nan 0.000 0.426 100 Y N 2.552 122.927 120.300 0.124 0.000 2.331 100 Y HA 0.706 5.256 4.550 0.000 0.000 0.338 100 Y C 0.814 176.888 175.900 0.290 0.000 0.976 100 Y CA -1.309 56.895 58.100 0.175 0.000 1.137 100 Y CB 1.780 40.403 38.460 0.273 0.000 1.172 100 Y HN 0.703 nan 8.280 nan 0.000 0.478 101 G N 2.594 111.644 108.800 0.418 0.000 2.377 101 G HA2 0.192 4.152 3.960 0.000 0.000 0.299 101 G HA3 0.192 4.152 3.960 0.000 0.000 0.299 101 G C -0.437 174.905 174.900 0.736 0.000 1.150 101 G CA -0.478 44.932 45.100 0.516 0.000 0.847 101 G HN 0.512 nan 8.290 nan 0.000 0.501 102 D N -0.264 120.578 120.400 0.736 0.000 2.360 102 D HA 0.326 4.966 4.640 0.000 0.000 0.242 102 D C -0.424 176.403 176.300 0.879 0.000 1.184 102 D CA 0.251 54.680 54.000 0.715 0.000 0.930 102 D CB 1.682 42.868 40.800 0.645 0.000 1.161 102 D HN 0.036 nan 8.370 nan 0.000 0.447 103 V N 2.223 122.548 119.914 0.685 0.000 2.567 103 V HA 0.178 4.299 4.120 0.000 0.000 0.298 103 V C -0.340 175.869 176.094 0.192 0.000 1.047 103 V CA -0.806 61.767 62.300 0.455 0.000 0.880 103 V CB 1.986 33.902 31.823 0.154 0.000 1.009 103 V HN 0.309 nan 8.190 nan 0.000 0.429 104 V N 6.638 126.502 119.914 -0.083 0.000 2.304 104 V HA 0.401 4.522 4.120 0.000 0.000 0.278 104 V C 0.424 176.159 176.094 -0.597 0.000 1.018 104 V CA -0.014 62.150 62.300 -0.226 0.000 0.814 104 V CB 1.315 33.120 31.823 -0.031 0.000 1.021 104 V HN 0.926 nan 8.190 nan 0.000 0.440 105 M N 2.212 121.528 119.600 -0.473 0.000 2.300 105 M HA 0.179 4.659 4.480 0.000 0.000 0.313 105 M C 1.565 177.639 176.300 -0.376 0.000 0.988 105 M CA 0.073 55.080 55.300 -0.488 0.000 1.012 105 M CB 0.222 32.583 32.600 -0.399 0.000 1.586 105 M HN 0.658 nan 8.290 nan 0.000 0.562 106 N N 1.346 119.832 118.700 -0.357 0.000 2.270 106 N HA -0.072 4.668 4.740 0.000 0.000 0.181 106 N C 0.392 175.816 175.510 -0.144 0.000 1.016 106 N CA 0.983 53.914 53.050 -0.199 0.000 0.870 106 N CB 0.378 38.830 38.487 -0.057 0.000 0.979 106 N HN 0.463 nan 8.380 nan 0.000 0.431 107 H N -3.214 115.777 119.070 -0.132 0.000 2.933 107 H HA 0.483 5.039 4.556 0.000 0.000 0.310 107 H C -1.261 173.927 175.328 -0.233 0.000 1.351 107 H CA -1.023 54.971 56.048 -0.090 0.000 1.137 107 H CB 0.729 30.486 29.762 -0.009 0.000 1.853 107 H HN -0.193 nan 8.280 nan 0.000 0.539 108 K N 0.510 120.896 120.400 -0.023 0.000 2.565 108 K HA 0.473 4.793 4.320 0.000 0.000 0.249 108 K C -0.632 175.955 176.600 -0.022 0.000 0.958 108 K CA -0.541 55.581 56.287 -0.276 0.000 0.806 108 K CB 2.930 34.915 32.500 -0.857 0.000 1.194 108 K HN 0.816 nan 8.250 nan 0.000 0.434 109 G N -0.643 108.050 108.800 -0.179 0.000 2.597 109 G HA2 0.547 4.507 3.960 0.000 0.000 0.317 109 G HA3 0.547 4.507 3.960 0.000 0.000 0.317 109 G C 0.363 175.269 174.900 0.010 0.000 1.230 109 G CA -0.367 44.444 45.100 -0.482 0.000 0.996 109 G HN 0.701 nan 8.290 nan 0.000 0.490 110 G N -1.282 107.456 108.800 -0.103 0.000 2.246 110 G HA2 0.202 4.162 3.960 0.000 0.000 0.273 110 G HA3 0.202 4.162 3.960 0.000 0.000 0.273 110 G C 0.704 175.579 174.900 -0.041 0.000 1.055 110 G CA 0.544 45.582 45.100 -0.103 0.000 0.851 110 G HN 1.900 nan 8.290 nan 0.000 0.500 111 A N -0.518 122.183 122.820 -0.199 0.000 2.536 111 A HA 0.402 4.722 4.320 0.000 0.000 0.234 111 A C 1.428 178.824 177.584 -0.314 0.000 1.076 111 A CA 0.948 52.471 52.037 -0.855 0.000 0.769 111 A CB 0.331 19.003 19.000 -0.547 0.000 1.020 111 A HN 0.344 nan 8.150 nan 0.000 0.508 112 D N 0.078 120.268 120.400 -0.351 0.000 2.183 112 D HA 0.255 4.895 4.640 0.000 0.000 0.203 112 D C 0.769 177.090 176.300 0.035 0.000 0.969 112 D CA 1.893 55.845 54.000 -0.080 0.000 0.842 112 D CB 0.107 40.870 40.800 -0.062 0.000 0.957 112 D HN 0.765 nan 8.370 nan 0.000 0.484 113 A N -0.336 122.497 122.820 0.022 0.000 2.581 113 A HA 0.523 4.843 4.320 0.000 0.000 0.290 113 A C -0.383 177.104 177.584 -0.163 0.000 1.119 113 A CA -0.535 51.504 52.037 0.004 0.000 0.670 113 A CB 1.054 20.024 19.000 -0.050 0.000 1.280 113 A HN 0.030 nan 8.150 nan 0.000 0.425 114 T N -1.397 112.902 114.554 -0.424 0.000 2.912 114 T HA 0.798 5.148 4.350 0.000 0.000 0.280 114 T C -0.373 174.151 174.700 -0.294 0.000 0.989 114 T CA -0.441 61.325 62.100 -0.557 0.000 0.995 114 T CB 1.483 69.830 68.868 -0.869 0.000 1.077 114 T HN 0.634 nan 8.240 nan 0.000 0.531 115 E N 0.473 120.515 120.200 -0.263 0.000 2.356 115 E HA 0.356 4.706 4.350 0.000 0.000 0.275 115 E C -0.844 175.585 176.600 -0.285 0.000 0.904 115 E CA -1.087 55.196 56.400 -0.195 0.000 0.757 115 E CB 1.808 31.465 29.700 -0.071 0.000 1.232 115 E HN 0.459 nan 8.360 nan 0.000 0.442 116 M N 2.315 121.742 119.600 -0.288 0.000 2.146 116 M HA 0.286 4.766 4.480 0.000 0.000 0.352 116 M C -0.633 175.356 176.300 -0.519 0.000 1.343 116 M CA -0.390 54.705 55.300 -0.341 0.000 1.115 116 M CB 0.195 32.638 32.600 -0.261 0.000 1.657 116 M HN 0.214 nan 8.290 nan 0.000 0.471 117 V N 4.707 124.263 119.914 -0.597 0.000 2.709 117 V HA 0.515 4.635 4.120 0.000 0.000 0.308 117 V C 0.123 175.804 176.094 -0.688 0.000 1.062 117 V CA -1.193 60.577 62.300 -0.883 0.000 0.901 117 V CB 2.336 33.486 31.823 -1.122 0.000 1.003 117 V HN 0.655 nan 8.190 nan 0.000 0.425 118 R N 2.602 122.695 120.500 -0.678 0.000 2.438 118 R HA 0.832 5.172 4.340 0.000 0.000 0.287 118 R C -0.048 176.039 176.300 -0.355 0.000 1.077 118 R CA 0.102 55.944 56.100 -0.430 0.000 1.034 118 R CB 1.136 31.237 30.300 -0.333 0.000 0.993 118 R HN 1.006 nan 8.270 nan 0.000 0.459 119 A N 1.434 124.086 122.820 -0.281 0.000 2.540 119 A HA 0.588 4.908 4.320 0.000 0.000 0.291 119 A C -1.085 176.403 177.584 -0.160 0.000 1.083 119 A CA -0.602 51.363 52.037 -0.119 0.000 0.650 119 A CB 1.267 20.294 19.000 0.045 0.000 1.292 119 A HN 0.465 nan 8.150 nan 0.000 0.435 120 V N -1.922 117.978 119.914 -0.023 0.000 2.962 120 V HA 0.812 4.932 4.120 0.000 0.000 0.313 120 V C -0.536 175.593 176.094 0.058 0.000 1.099 120 V CA -0.750 61.559 62.300 0.015 0.000 0.971 120 V CB 1.625 33.466 31.823 0.030 0.000 1.028 120 V HN 0.933 nan 8.190 nan 0.000 0.430 121 E N 1.188 121.429 120.200 0.070 0.000 2.313 121 E HA 0.640 4.990 4.350 0.000 0.000 0.272 121 E C -0.526 176.076 176.600 0.005 0.000 1.038 121 E CA -0.594 55.783 56.400 -0.038 0.000 0.863 121 E CB 2.061 31.733 29.700 -0.046 0.000 1.060 121 E HN 0.929 nan 8.360 nan 0.000 0.402 122 V N -0.248 119.663 119.914 -0.004 0.000 3.074 122 V HA 0.449 4.569 4.120 0.000 0.000 0.314 122 V C -0.348 175.752 176.094 0.011 0.000 1.117 122 V CA -1.306 61.032 62.300 0.063 0.000 1.014 122 V CB 1.895 33.847 31.823 0.215 0.000 1.057 122 V HN 0.543 nan 8.190 nan 0.000 0.438 123 N N 2.742 121.454 118.700 0.020 0.000 2.431 123 N HA 0.311 5.051 4.740 0.000 0.000 0.265 123 N C -1.762 173.728 175.510 -0.032 0.000 1.184 123 N CA -1.753 51.290 53.050 -0.010 0.000 0.943 123 N CB 1.200 39.685 38.487 -0.003 0.000 1.080 123 N HN 0.451 nan 8.380 nan 0.000 0.477 124 P HA -0.111 nan 4.420 nan 0.000 0.217 124 P C 0.228 177.471 177.300 -0.095 0.000 1.148 124 P CA 1.231 64.288 63.100 -0.073 0.000 0.828 124 P CB 0.266 31.931 31.700 -0.058 0.000 0.783 125 N N -1.476 117.180 118.700 -0.073 0.000 2.322 125 N HA 0.011 4.751 4.740 0.000 0.000 0.194 125 N C 0.091 175.555 175.510 -0.077 0.000 1.126 125 N CA 0.517 53.518 53.050 -0.082 0.000 0.845 125 N CB -0.265 38.191 38.487 -0.052 0.000 0.976 125 N HN 0.110 nan 8.380 nan 0.000 0.475 126 N N 0.271 118.932 118.700 -0.064 0.000 3.354 126 N HA 0.108 4.848 4.740 0.000 0.000 0.196 126 N C -0.099 175.409 175.510 -0.004 0.000 1.486 126 N CA -0.176 52.852 53.050 -0.038 0.000 0.768 126 N CB 0.273 38.752 38.487 -0.014 0.000 1.625 126 N HN -0.275 nan 8.380 nan 0.000 0.636 127 R N 0.419 120.902 120.500 -0.028 0.000 2.341 127 R HA 0.187 4.527 4.340 0.000 0.000 0.213 127 R C 1.040 177.493 176.300 0.255 0.000 1.082 127 R CA 0.521 56.661 56.100 0.066 0.000 1.017 127 R CB -0.076 30.088 30.300 -0.225 0.000 0.860 127 R HN 0.424 nan 8.270 nan 0.000 0.473 128 N N 0.626 119.416 118.700 0.149 0.000 2.412 128 N HA -0.074 4.666 4.740 0.000 0.000 0.184 128 N C -0.026 175.547 175.510 0.104 0.000 1.101 128 N CA 0.315 53.459 53.050 0.157 0.000 0.881 128 N CB 0.311 38.843 38.487 0.075 0.000 0.969 128 N HN 0.437 nan 8.380 nan 0.000 0.459 129 Q N 1.235 121.086 119.800 0.085 0.000 2.372 129 Q HA 0.227 4.567 4.340 0.000 0.000 0.259 129 Q C -1.146 174.892 176.000 0.062 0.000 0.993 129 Q CA -0.472 55.364 55.803 0.056 0.000 0.854 129 Q CB 0.886 29.643 28.738 0.031 0.000 1.231 129 Q HN 0.018 nan 8.270 nan 0.000 0.462 130 E N 2.500 122.732 120.200 0.053 0.000 2.324 130 E HA 0.045 4.395 4.350 0.000 0.000 0.271 130 E C 0.540 177.162 176.600 0.037 0.000 1.028 130 E CA -0.123 56.306 56.400 0.049 0.000 0.890 130 E CB 1.277 30.999 29.700 0.037 0.000 1.004 130 E HN 0.676 nan 8.360 nan 0.000 0.431 131 V N 0.064 119.999 119.914 0.035 0.000 3.621 131 V HA 0.152 4.272 4.120 0.000 0.000 0.285 131 V C 0.437 176.552 176.094 0.035 0.000 1.346 131 V CA 0.308 62.624 62.300 0.025 0.000 1.104 131 V CB -0.296 31.533 31.823 0.011 0.000 0.913 131 V HN 0.662 nan 8.190 nan 0.000 0.432 132 T N -3.368 111.222 114.554 0.060 0.000 2.787 132 T HA 0.736 5.086 4.350 0.000 0.000 0.297 132 T C 0.218 174.977 174.700 0.098 0.000 1.221 132 T CA 0.001 62.153 62.100 0.086 0.000 1.006 132 T CB 1.306 70.273 68.868 0.166 0.000 1.328 132 T HN 0.588 nan 8.240 nan 0.000 0.509 133 G N -0.539 108.326 108.800 0.107 0.000 2.557 133 G HA2 0.504 4.464 3.960 0.000 0.000 0.292 133 G HA3 0.504 4.464 3.960 0.000 0.000 0.292 133 G C -0.519 174.480 174.900 0.166 0.000 1.237 133 G CA -0.720 44.438 45.100 0.097 0.000 0.978 133 G HN 1.018 nan 8.290 nan 0.000 0.498 134 E N -0.872 119.391 120.200 0.105 0.000 2.373 134 E HA 0.431 4.781 4.350 0.000 0.000 0.267 134 E C -0.946 175.757 176.600 0.171 0.000 1.032 134 E CA -0.366 56.081 56.400 0.080 0.000 0.889 134 E CB 0.522 30.227 29.700 0.010 0.000 0.984 134 E HN 0.502 nan 8.360 nan 0.000 0.425 135 Y N -0.573 119.704 120.300 -0.039 0.000 2.713 135 Y HA 0.352 4.902 4.550 0.000 0.000 0.335 135 Y C -1.291 174.548 175.900 -0.102 0.000 1.222 135 Y CA -1.173 56.890 58.100 -0.062 0.000 1.061 135 Y CB 0.894 39.330 38.460 -0.041 0.000 1.314 135 Y HN 0.207 nan 8.280 nan 0.000 0.453 136 T N 4.230 118.803 114.554 0.032 0.000 2.771 136 T HA 0.616 4.966 4.350 0.000 0.000 0.291 136 T C -0.069 174.538 174.700 -0.155 0.000 0.954 136 T CA -0.236 61.773 62.100 -0.152 0.000 1.045 136 T CB 0.080 68.870 68.868 -0.129 0.000 0.917 136 T HN 0.707 nan 8.240 nan 0.000 0.484 137 I N -0.147 120.218 120.570 -0.342 0.000 3.170 137 I HA 0.744 4.914 4.170 0.000 0.000 0.312 137 I C -0.448 175.457 176.117 -0.353 0.000 1.085 137 I CA -1.292 59.796 61.300 -0.355 0.000 0.999 137 I CB 2.232 39.879 38.000 -0.588 0.000 1.233 137 I HN 0.452 nan 8.210 nan 0.000 0.467 138 E N 2.056 122.049 120.200 -0.346 0.000 2.141 138 E HA 0.679 5.029 4.350 0.000 0.000 0.259 138 E C -1.325 175.060 176.600 -0.358 0.000 0.883 138 E CA -0.757 55.436 56.400 -0.345 0.000 0.744 138 E CB 1.456 30.969 29.700 -0.313 0.000 1.150 138 E HN 0.862 nan 8.360 nan 0.000 0.420 139 A N 4.091 126.727 122.820 -0.308 0.000 2.340 139 A HA 0.432 4.752 4.320 0.000 0.000 0.331 139 A C -1.326 176.155 177.584 -0.171 0.000 1.140 139 A CA -0.779 51.181 52.037 -0.129 0.000 0.801 139 A CB 0.488 19.549 19.000 0.103 0.000 1.234 139 A HN 0.746 nan 8.150 nan 0.000 0.469 140 W N 1.995 123.355 121.300 0.098 0.000 2.072 140 W HA 0.358 5.018 4.660 0.000 0.000 0.413 140 W C 0.911 177.429 176.519 -0.001 0.000 0.865 140 W CA 0.373 57.734 57.345 0.027 0.000 1.579 140 W CB 0.410 29.896 29.460 0.044 0.000 1.720 140 W HN 0.774 nan 8.180 nan 0.000 0.301 141 T N -1.943 112.709 114.554 0.164 0.000 3.043 141 T HA 0.196 4.547 4.350 0.000 0.000 0.272 141 T C 0.565 175.531 174.700 0.443 0.000 0.990 141 T CA -0.544 61.716 62.100 0.266 0.000 0.897 141 T CB 0.148 69.284 68.868 0.448 0.000 1.111 141 T HN 0.214 nan 8.240 nan 0.000 0.529 142 R N 0.742 121.314 120.500 0.119 0.000 2.229 142 R HA 0.577 4.918 4.340 0.000 0.000 0.328 142 R C -1.693 174.495 176.300 -0.187 0.000 1.009 142 R CA -0.704 55.447 56.100 0.085 0.000 0.864 142 R CB 0.256 30.562 30.300 0.009 0.000 1.085 142 R HN 0.180 nan 8.270 nan 0.000 0.453 143 F N 3.361 123.324 119.950 0.022 0.000 2.499 143 F HA 0.302 4.829 4.527 0.000 0.000 0.333 143 F C 0.297 175.764 175.800 -0.556 0.000 1.138 143 F CA -0.693 57.110 58.000 -0.328 0.000 0.945 143 F CB 2.165 40.915 39.000 -0.417 0.000 1.181 143 F HN 0.567 nan 8.300 nan 0.000 0.435 144 D N 2.474 122.608 120.400 -0.443 0.000 2.498 144 D HA 0.101 4.741 4.640 0.000 0.000 0.223 144 D C -0.140 176.060 176.300 -0.167 0.000 1.125 144 D CA 0.384 54.230 54.000 -0.256 0.000 0.835 144 D CB 0.402 41.157 40.800 -0.074 0.000 1.086 144 D HN 0.385 nan 8.370 nan 0.000 0.510 145 F N 0.486 120.544 119.950 0.180 0.000 2.688 145 F HA -0.169 4.358 4.527 0.000 0.000 0.276 145 F C -1.390 174.463 175.800 0.089 0.000 1.034 145 F CA -0.486 57.603 58.000 0.148 0.000 0.991 145 F CB -1.686 37.324 39.000 0.017 0.000 1.119 145 F HN 0.091 nan 8.300 nan 0.000 0.837 146 P HA -0.192 nan 4.420 nan 0.000 0.216 146 P C 1.744 179.120 177.300 0.126 0.000 1.150 146 P CA 2.206 65.386 63.100 0.134 0.000 0.843 146 P CB 0.075 31.841 31.700 0.111 0.000 0.787 147 G N -0.547 108.357 108.800 0.172 0.000 2.572 147 G HA2 -0.157 3.803 3.960 0.000 0.000 0.216 147 G HA3 -0.157 3.803 3.960 0.000 0.000 0.216 147 G C 1.786 176.713 174.900 0.045 0.000 1.133 147 G CA 0.187 45.388 45.100 0.169 0.000 0.791 147 G HN 0.300 nan 8.290 nan 0.000 0.538 148 R N -0.614 119.774 120.500 -0.188 0.000 2.279 148 R HA 0.345 4.685 4.340 0.000 0.000 0.195 148 R C 1.696 177.748 176.300 -0.412 0.000 0.905 148 R CA 1.133 56.741 56.100 -0.820 0.000 1.044 148 R CB -0.003 29.653 30.300 -1.072 0.000 1.056 148 R HN 0.312 nan 8.270 nan 0.000 0.535 149 G N 1.343 110.065 108.800 -0.130 0.000 2.583 149 G HA2 -0.372 3.588 3.960 0.000 0.000 0.292 149 G HA3 -0.372 3.588 3.960 0.000 0.000 0.292 149 G C 0.147 174.997 174.900 -0.083 0.000 1.203 149 G CA 0.378 45.441 45.100 -0.061 0.000 0.987 149 G HN 0.428 nan 8.290 nan 0.000 0.554 150 N N 1.369 120.013 118.700 -0.093 0.000 2.230 150 N HA 0.169 4.909 4.740 0.000 0.000 0.202 150 N C 0.527 175.934 175.510 -0.172 0.000 1.119 150 N CA 0.856 53.842 53.050 -0.107 0.000 0.851 150 N CB 0.275 38.724 38.487 -0.063 0.000 0.990 150 N HN 0.594 nan 8.380 nan 0.000 0.497 151 T N 1.416 115.838 114.554 -0.220 0.000 2.908 151 T HA -0.039 4.311 4.350 0.000 0.000 0.301 151 T C 0.658 175.151 174.700 -0.344 0.000 1.019 151 T CA 0.446 62.375 62.100 -0.285 0.000 1.152 151 T CB 0.495 69.218 68.868 -0.242 0.000 0.966 151 T HN 0.379 nan 8.240 nan 0.000 0.540 152 H N -0.498 118.508 119.070 -0.108 0.000 4.796 152 H HA -0.182 4.374 4.556 0.000 0.000 0.086 152 H C 0.610 175.552 175.328 -0.643 0.000 0.585 152 H CA 1.755 57.617 56.048 -0.309 0.000 1.116 152 H CB -1.411 28.073 29.762 -0.463 0.000 0.488 152 H HN 0.696 nan 8.280 nan 0.000 0.720 153 S N -0.580 114.774 115.700 -0.576 0.000 2.535 153 S HA 0.467 4.938 4.470 0.000 0.000 0.272 153 S C 0.620 175.052 174.600 -0.279 0.000 1.149 153 S CA 0.206 58.064 58.200 -0.570 0.000 0.888 153 S CB 1.668 64.143 63.200 -1.209 0.000 1.110 153 S HN 0.497 nan 8.310 nan 0.000 0.463 154 S N 3.075 118.704 115.700 -0.118 0.000 2.539 154 S HA 0.310 4.780 4.470 0.000 0.000 0.221 154 S C 0.245 174.856 174.600 0.019 0.000 0.987 154 S CA -0.341 57.836 58.200 -0.039 0.000 0.929 154 S CB -0.382 62.798 63.200 -0.033 0.000 0.832 154 S HN 0.634 nan 8.310 nan 0.000 0.492 155 F N 4.107 123.993 119.950 -0.107 0.000 2.602 155 F HA 0.336 4.863 4.527 0.000 0.000 0.385 155 F C 0.218 176.009 175.800 -0.015 0.000 1.063 155 F CA 0.126 58.047 58.000 -0.132 0.000 1.233 155 F CB 0.475 39.334 39.000 -0.235 0.000 1.067 155 F HN -0.071 nan 8.300 nan 0.000 0.564 156 K N 6.045 126.089 120.400 -0.593 0.000 2.259 156 K HA 0.234 4.554 4.320 0.000 0.000 0.252 156 K C -1.474 174.871 176.600 -0.425 0.000 0.936 156 K CA -0.517 55.629 56.287 -0.235 0.000 0.810 156 K CB 1.378 33.790 32.500 -0.146 0.000 1.143 156 K HN 0.588 nan 8.250 nan 0.000 0.427 157 W N 2.048 123.352 121.300 0.006 0.000 2.438 157 W HA 0.444 5.104 4.660 0.000 0.000 0.324 157 W C 0.658 177.296 176.519 0.198 0.000 1.119 157 W CA -0.511 56.964 57.345 0.216 0.000 1.221 157 W CB 0.943 30.578 29.460 0.291 0.000 1.253 157 W HN 0.159 nan 8.180 nan 0.000 0.555 158 R N 2.117 122.706 120.500 0.148 0.000 2.855 158 R HA 0.188 4.528 4.340 0.000 0.000 0.266 158 R C 1.305 177.480 176.300 -0.208 0.000 1.034 158 R CA -0.867 55.071 56.100 -0.270 0.000 0.944 158 R CB 0.226 29.915 30.300 -1.017 0.000 1.219 158 R HN 0.864 nan 8.270 nan 0.000 0.474 159 W N 2.012 123.297 121.300 -0.024 0.000 2.308 159 W HA -0.288 4.372 4.660 0.000 0.000 0.301 159 W C 1.100 177.795 176.519 0.294 0.000 1.220 159 W CA 1.672 59.171 57.345 0.257 0.000 1.240 159 W CB -1.001 28.414 29.460 -0.075 0.000 1.142 159 W HN 0.736 nan 8.180 nan 0.000 0.521 160 Y N -0.129 119.466 120.300 -1.175 0.000 2.680 160 Y HA 0.073 4.623 4.550 0.000 0.000 0.303 160 Y C 1.827 177.521 175.900 -0.343 0.000 1.166 160 Y CA 1.480 58.926 58.100 -1.091 0.000 1.344 160 Y CB -1.874 35.760 38.460 -1.378 0.000 1.002 160 Y HN 0.128 nan 8.280 nan 0.000 0.537 161 H N -1.132 117.743 119.070 -0.325 0.000 2.553 161 H HA 0.231 4.787 4.556 0.000 0.000 0.265 161 H C -0.585 174.517 175.328 -0.377 0.000 0.964 161 H CA -0.357 55.439 56.048 -0.421 0.000 1.156 161 H CB 0.185 29.572 29.762 -0.625 0.000 1.411 161 H HN 0.203 nan 8.280 nan 0.000 0.558 162 F N -0.505 119.677 119.950 0.388 0.000 2.556 162 F HA 0.204 4.731 4.527 0.000 0.000 0.327 162 F C 0.850 176.813 175.800 0.272 0.000 1.059 162 F CA -1.073 57.136 58.000 0.348 0.000 0.953 162 F CB 1.308 40.547 39.000 0.397 0.000 1.227 162 F HN -0.111 nan 8.300 nan 0.000 0.478 163 D N 0.119 120.711 120.400 0.321 0.000 2.327 163 D HA 0.309 4.949 4.640 0.000 0.000 0.205 163 D C 0.748 176.819 176.300 -0.382 0.000 0.989 163 D CA 0.805 54.859 54.000 0.089 0.000 0.873 163 D CB 0.883 41.837 40.800 0.257 0.000 0.955 163 D HN 0.693 nan 8.370 nan 0.000 0.515 164 G N -0.430 108.084 108.800 -0.478 0.000 2.320 164 G HA2 0.417 4.377 3.960 0.000 0.000 0.296 164 G HA3 0.417 4.377 3.960 0.000 0.000 0.296 164 G C -1.436 173.370 174.900 -0.156 0.000 1.306 164 G CA -0.138 44.460 45.100 -0.836 0.000 0.836 164 G HN 0.126 nan 8.290 nan 0.000 0.517 165 V N -3.394 116.516 119.914 -0.008 0.000 3.202 165 V HA 0.855 4.975 4.120 0.000 0.000 0.306 165 V C -0.445 175.712 176.094 0.106 0.000 1.283 165 V CA 0.015 62.473 62.300 0.263 0.000 1.065 165 V CB 2.107 34.146 31.823 0.361 0.000 1.079 165 V HN 1.009 nan 8.190 nan 0.000 0.448 166 D N -1.410 119.149 120.400 0.265 0.000 2.479 166 D HA 0.161 4.801 4.640 0.000 0.000 0.218 166 D C -0.152 176.492 176.300 0.573 0.000 1.177 166 D CA 0.082 54.225 54.000 0.239 0.000 0.830 166 D CB 0.533 41.449 40.800 0.193 0.000 1.014 166 D HN 0.717 nan 8.370 nan 0.000 0.503 167 W N 1.659 123.174 121.300 0.359 0.000 2.968 167 W HA 0.331 4.991 4.660 0.000 0.000 0.337 167 W C -1.905 174.681 176.519 0.112 0.000 1.060 167 W CA -0.702 56.822 57.345 0.298 0.000 1.240 167 W CB 1.944 31.562 29.460 0.262 0.000 1.370 167 W HN -0.238 nan 8.180 nan 0.000 0.459 168 D N 4.201 124.263 120.400 -0.564 0.000 2.412 168 D HA 0.060 4.700 4.640 0.000 0.000 0.224 168 D C 0.880 176.760 176.300 -0.700 0.000 1.093 168 D CA -0.016 53.602 54.000 -0.636 0.000 0.850 168 D CB 1.727 42.168 40.800 -0.599 0.000 1.046 168 D HN 0.385 nan 8.370 nan 0.000 0.507 169 Q N 2.245 121.825 119.800 -0.368 0.000 2.291 169 Q HA -0.134 4.206 4.340 0.000 0.000 0.206 169 Q C 1.495 177.419 176.000 -0.126 0.000 0.976 169 Q CA 1.667 57.415 55.803 -0.092 0.000 0.875 169 Q CB -0.045 28.690 28.738 -0.004 0.000 0.927 169 Q HN 0.450 nan 8.270 nan 0.000 0.450 170 S N -1.688 113.895 115.700 -0.196 0.000 2.562 170 S HA 0.100 4.570 4.470 0.000 0.000 0.221 170 S C 1.439 175.966 174.600 -0.121 0.000 0.975 170 S CA 0.182 58.301 58.200 -0.133 0.000 0.918 170 S CB 0.215 63.336 63.200 -0.132 0.000 0.772 170 S HN 0.421 nan 8.310 nan 0.000 0.531 171 R N -0.253 120.137 120.500 -0.185 0.000 2.573 171 R HA 0.294 4.635 4.340 0.000 0.000 0.224 171 R C -0.480 175.691 176.300 -0.216 0.000 0.904 171 R CA -0.189 55.821 56.100 -0.150 0.000 0.995 171 R CB 0.295 30.535 30.300 -0.100 0.000 1.430 171 R HN 0.220 nan 8.270 nan 0.000 0.631 172 R N 1.297 121.506 120.500 -0.485 0.000 3.264 172 R HA -0.156 4.184 4.340 0.000 0.000 0.251 172 R C -0.967 175.071 176.300 -0.438 0.000 0.971 172 R CA 0.434 56.056 56.100 -0.798 0.000 0.658 172 R CB -2.429 27.815 30.300 -0.092 0.000 1.095 172 R HN 0.190 nan 8.270 nan 0.000 0.443 173 L N 0.152 121.156 121.223 -0.364 0.000 2.334 173 L HA 0.324 4.664 4.340 0.000 0.000 0.277 173 L C 1.119 178.013 176.870 0.040 0.000 1.075 173 L CA -0.465 54.327 54.840 -0.080 0.000 0.804 173 L CB 0.996 43.047 42.059 -0.013 0.000 1.174 173 L HN 0.320 nan 8.230 nan 0.000 0.438 174 N N 1.645 120.416 118.700 0.119 0.000 2.493 174 N HA 0.028 4.768 4.740 0.000 0.000 0.275 174 N C 0.248 175.817 175.510 0.098 0.000 1.186 174 N CA -0.232 52.926 53.050 0.179 0.000 0.978 174 N CB 0.833 39.413 38.487 0.155 0.000 1.184 174 N HN 0.645 nan 8.380 nan 0.000 0.487 175 N N 0.851 119.610 118.700 0.099 0.000 2.727 175 N HA -0.187 4.553 4.740 0.000 0.000 0.249 175 N C -1.461 174.035 175.510 -0.023 0.000 1.048 175 N CA 0.824 53.896 53.050 0.037 0.000 0.714 175 N CB -0.455 38.044 38.487 0.021 0.000 0.959 175 N HN 0.439 nan 8.380 nan 0.000 0.544 176 R N 0.389 120.861 120.500 -0.047 0.000 2.637 176 R HA 0.585 4.925 4.340 0.000 0.000 0.291 176 R C -0.048 176.049 176.300 -0.338 0.000 0.963 176 R CA -0.701 55.252 56.100 -0.246 0.000 0.901 176 R CB 1.093 31.161 30.300 -0.385 0.000 1.160 176 R HN 0.271 nan 8.270 nan 0.000 0.457 177 I N 3.239 123.550 120.570 -0.432 0.000 2.418 177 I HA 0.311 4.481 4.170 0.000 0.000 0.287 177 I C -0.927 174.966 176.117 -0.374 0.000 1.008 177 I CA -0.853 60.208 61.300 -0.399 0.000 1.104 177 I CB 1.361 39.198 38.000 -0.273 0.000 1.264 177 I HN 0.393 nan 8.210 nan 0.000 0.438 178 Y N 5.424 125.678 120.300 -0.077 0.000 2.335 178 Y HA 0.358 4.909 4.550 0.000 0.000 0.339 178 Y C 0.242 176.134 175.900 -0.012 0.000 0.987 178 Y CA -0.649 57.450 58.100 -0.002 0.000 1.140 178 Y CB 1.228 39.708 38.460 0.034 0.000 1.173 178 Y HN 0.386 nan 8.280 nan 0.000 0.486 179 K N 4.249 124.693 120.400 0.074 0.000 2.240 179 K HA 0.373 4.693 4.320 0.000 0.000 0.271 179 K C -1.127 175.474 176.600 0.001 0.000 1.018 179 K CA -0.578 55.532 56.287 -0.295 0.000 0.874 179 K CB 0.481 32.670 32.500 -0.519 0.000 1.098 179 K HN 0.389 nan 8.250 nan 0.000 0.458 180 F N 2.752 122.640 119.950 -0.104 0.000 2.506 180 F HA 0.223 4.750 4.527 0.000 0.000 0.351 180 F C 1.260 177.056 175.800 -0.007 0.000 1.136 180 F CA -0.405 57.606 58.000 0.018 0.000 1.298 180 F CB 0.345 39.493 39.000 0.247 0.000 1.145 180 F HN 0.362 nan 8.300 nan 0.000 0.593 181 R N 0.641 121.246 120.500 0.175 0.000 2.540 181 R HA 0.760 5.100 4.340 0.000 0.000 0.287 181 R C 0.287 176.671 176.300 0.141 0.000 0.980 181 R CA -0.379 55.766 56.100 0.075 0.000 0.966 181 R CB 1.455 31.738 30.300 -0.027 0.000 1.106 181 R HN 0.891 nan 8.270 nan 0.000 0.480 182 G N 0.645 109.502 108.800 0.094 0.000 2.356 182 G HA2 -0.033 3.927 3.960 0.000 0.000 0.288 182 G HA3 -0.033 3.927 3.960 0.000 0.000 0.288 182 G C -1.492 173.422 174.900 0.023 0.000 1.302 182 G CA -0.919 44.232 45.100 0.086 0.000 0.887 182 G HN 0.536 nan 8.290 nan 0.000 0.521 183 H N 0.593 119.721 119.070 0.096 0.000 3.091 183 H HA 0.364 4.920 4.556 0.000 0.000 0.289 183 H C 1.629 176.972 175.328 0.025 0.000 0.995 183 H CA 1.590 57.658 56.048 0.034 0.000 1.461 183 H CB 0.482 30.239 29.762 -0.008 0.000 1.510 183 H HN 1.980 nan 8.280 nan 0.000 0.546 184 G N 3.792 112.681 108.800 0.148 0.000 2.225 184 G HA2 -0.274 3.686 3.960 0.000 0.000 0.267 184 G HA3 -0.274 3.686 3.960 0.000 0.000 0.267 184 G C 0.224 175.176 174.900 0.086 0.000 1.024 184 G CA -0.071 45.084 45.100 0.091 0.000 0.784 184 G HN 0.399 nan 8.290 nan 0.000 0.507 185 K N 0.337 120.791 120.400 0.090 0.000 2.276 185 K HA 0.750 5.070 4.320 0.000 0.000 0.285 185 K C 0.287 176.885 176.600 -0.005 0.000 1.062 185 K CA 0.593 56.928 56.287 0.080 0.000 0.918 185 K CB 1.422 34.008 32.500 0.144 0.000 1.055 185 K HN 1.102 nan 8.250 nan 0.000 0.477 186 A N 3.361 126.165 122.820 -0.028 0.000 2.599 186 A HA 0.411 4.731 4.320 0.000 0.000 0.294 186 A C -1.565 176.025 177.584 0.010 0.000 1.055 186 A CA -0.992 50.995 52.037 -0.083 0.000 0.683 186 A CB 0.425 19.436 19.000 0.018 0.000 1.278 186 A HN 0.670 nan 8.150 nan 0.000 0.412 187 W N 1.512 122.889 121.300 0.128 0.000 2.187 187 W HA 0.215 4.876 4.660 0.000 0.000 0.348 187 W C 0.145 176.768 176.519 0.174 0.000 1.282 187 W CA 0.159 57.597 57.345 0.154 0.000 1.271 187 W CB 0.464 30.018 29.460 0.157 0.000 1.170 187 W HN 0.606 nan 8.180 nan 0.000 0.583 188 D N 0.603 121.290 120.400 0.477 0.000 2.371 188 D HA 0.129 4.769 4.640 0.000 0.000 0.242 188 D C -0.589 175.960 176.300 0.416 0.000 1.218 188 D CA 0.249 54.454 54.000 0.342 0.000 0.945 188 D CB 0.709 41.649 40.800 0.232 0.000 1.137 188 D HN 0.383 nan 8.370 nan 0.000 0.464 189 W N 0.714 122.063 121.300 0.081 0.000 3.573 189 W HA 0.145 4.805 4.660 0.000 0.000 0.306 189 W C -1.100 175.421 176.519 0.003 0.000 1.227 189 W CA -0.511 56.845 57.345 0.018 0.000 1.212 189 W CB 1.313 30.800 29.460 0.046 0.000 1.331 189 W HN 0.325 nan 8.180 nan 0.000 0.524 190 E N 2.907 122.692 120.200 -0.691 0.000 2.313 190 E HA 0.460 4.810 4.350 0.000 0.000 0.272 190 E C -0.560 175.301 176.600 -1.232 0.000 1.038 190 E CA -0.190 55.242 56.400 -1.613 0.000 0.863 190 E CB 1.645 30.313 29.700 -1.721 0.000 1.060 190 E HN 0.328 nan 8.360 nan 0.000 0.402 191 V N 0.342 119.617 119.914 -1.064 0.000 3.202 191 V HA 0.381 4.501 4.120 0.000 0.000 0.306 191 V C -0.476 175.450 176.094 -0.280 0.000 1.283 191 V CA -1.239 60.717 62.300 -0.574 0.000 1.065 191 V CB 1.475 33.267 31.823 -0.052 0.000 1.079 191 V HN 0.768 nan 8.190 nan 0.000 0.448 192 D N 1.027 121.458 120.400 0.052 0.000 2.419 192 D HA 0.232 4.872 4.640 0.000 0.000 0.236 192 D C 1.292 177.747 176.300 0.259 0.000 1.165 192 D CA 1.071 55.202 54.000 0.219 0.000 0.882 192 D CB 1.428 42.297 40.800 0.115 0.000 1.201 192 D HN 1.043 nan 8.370 nan 0.000 0.443 193 T N -0.225 114.493 114.554 0.273 0.000 3.086 193 T HA 0.077 4.427 4.350 0.000 0.000 0.250 193 T C 0.727 175.518 174.700 0.151 0.000 1.074 193 T CA -0.451 61.800 62.100 0.250 0.000 0.988 193 T CB -0.218 68.808 68.868 0.264 0.000 0.988 193 T HN 0.500 nan 8.240 nan 0.000 0.530 194 E N 1.884 122.180 120.200 0.158 0.000 2.384 194 E HA 0.068 4.418 4.350 0.000 0.000 0.266 194 E C -0.221 176.267 176.600 -0.186 0.000 1.012 194 E CA 0.077 56.498 56.400 0.036 0.000 0.901 194 E CB -0.083 29.692 29.700 0.126 0.000 0.967 194 E HN 0.488 nan 8.360 nan 0.000 0.435 195 N N 2.629 121.218 118.700 -0.184 0.000 2.818 195 N HA -0.265 4.475 4.740 0.000 0.000 0.250 195 N C 0.571 175.998 175.510 -0.139 0.000 1.108 195 N CA 0.250 53.159 53.050 -0.235 0.000 0.745 195 N CB -1.217 36.975 38.487 -0.492 0.000 1.104 195 N HN 0.888 nan 8.380 nan 0.000 0.557 196 G N 0.414 109.184 108.800 -0.051 0.000 4.655 196 G HA2 -0.399 3.562 3.960 0.000 0.000 0.220 196 G HA3 -0.399 3.562 3.960 0.000 0.000 0.220 196 G C -0.176 174.753 174.900 0.047 0.000 1.403 196 G CA 0.560 45.660 45.100 -0.001 0.000 0.931 196 G HN 0.642 nan 8.290 nan 0.000 0.654 197 N N -0.610 118.096 118.700 0.011 0.000 2.454 197 N HA 0.407 5.147 4.740 0.000 0.000 0.291 197 N C -1.061 174.449 175.510 0.000 0.000 1.079 197 N CA -0.528 52.574 53.050 0.088 0.000 0.893 197 N CB 1.254 39.807 38.487 0.110 0.000 1.512 197 N HN 0.158 nan 8.380 nan 0.000 0.497 198 Y N 2.351 122.657 120.300 0.010 0.000 2.645 198 Y HA 0.144 4.694 4.550 0.000 0.000 0.307 198 Y C 1.424 177.342 175.900 0.031 0.000 1.151 198 Y CA -0.619 57.489 58.100 0.013 0.000 1.291 198 Y CB -0.224 38.279 38.460 0.072 0.000 1.135 198 Y HN 0.654 nan 8.280 nan 0.000 0.523 199 D N -0.270 120.189 120.400 0.099 0.000 2.092 199 D HA -0.245 4.395 4.640 0.000 0.000 0.193 199 D C 0.276 176.558 176.300 -0.031 0.000 0.994 199 D CA 1.121 55.167 54.000 0.077 0.000 0.828 199 D CB -0.263 40.644 40.800 0.178 0.000 0.963 199 D HN 0.244 nan 8.370 nan 0.000 0.450 200 Y N 0.043 120.102 120.300 -0.402 0.000 2.377 200 Y HA 0.296 4.846 4.550 0.000 0.000 0.330 200 Y C 0.622 176.432 175.900 -0.149 0.000 1.108 200 Y CA -0.184 57.727 58.100 -0.316 0.000 1.308 200 Y CB 0.948 39.054 38.460 -0.589 0.000 1.216 200 Y HN 0.046 nan 8.280 nan 0.000 0.518 201 L N 5.597 126.161 121.223 -1.099 0.000 2.775 201 L HA 0.467 4.807 4.340 0.000 0.000 0.175 201 L C -0.594 175.818 176.870 -0.764 0.000 1.110 201 L CA 0.670 55.029 54.840 -0.803 0.000 0.862 201 L CB 0.326 41.812 42.059 -0.953 0.000 1.381 201 L HN 0.713 nan 8.230 nan 0.000 0.499 202 M N -3.772 115.284 119.600 -0.906 0.000 2.773 202 M HA 0.412 4.892 4.480 0.000 0.000 0.270 202 M C -0.663 175.410 176.300 -0.379 0.000 1.238 202 M CA -0.814 54.151 55.300 -0.558 0.000 0.832 202 M CB 1.607 33.852 32.600 -0.591 0.000 1.672 202 M HN 0.139 nan 8.290 nan 0.000 0.480 203 Y N -0.506 119.741 120.300 -0.087 0.000 2.896 203 Y HA -0.189 4.361 4.550 0.000 0.000 0.462 203 Y C 0.580 176.563 175.900 0.140 0.000 1.200 203 Y CA 1.019 59.124 58.100 0.007 0.000 2.460 203 Y CB -1.662 36.737 38.460 -0.102 0.000 1.236 203 Y HN 1.096 nan 8.280 nan 0.000 0.637 204 A N 1.285 124.272 122.820 0.279 0.000 2.310 204 A HA 0.434 4.754 4.320 0.000 0.000 0.300 204 A C -0.577 177.112 177.584 0.174 0.000 1.269 204 A CA 0.187 52.245 52.037 0.036 0.000 0.909 204 A CB -0.115 18.539 19.000 -0.575 0.000 1.144 204 A HN 0.463 nan 8.150 nan 0.000 0.540 205 D N 3.045 123.643 120.400 0.329 0.000 2.339 205 D HA 0.279 4.919 4.640 0.000 0.000 0.256 205 D C 0.156 176.763 176.300 0.512 0.000 1.214 205 D CA 0.019 54.230 54.000 0.353 0.000 0.877 205 D CB 0.154 41.195 40.800 0.401 0.000 1.111 205 D HN 0.484 nan 8.370 nan 0.000 0.478 206 I N 2.888 123.701 120.570 0.404 0.000 2.710 206 I HA -0.004 4.166 4.170 0.000 0.000 0.286 206 I C 0.565 176.785 176.117 0.173 0.000 1.181 206 I CA 0.133 61.600 61.300 0.279 0.000 1.430 206 I CB 0.540 38.562 38.000 0.038 0.000 1.367 206 I HN 0.437 nan 8.210 nan 0.000 0.577 207 D N 7.357 127.843 120.400 0.144 0.000 2.380 207 D HA 0.162 4.802 4.640 0.000 0.000 0.230 207 D C 0.586 176.903 176.300 0.028 0.000 1.154 207 D CA -0.374 53.707 54.000 0.136 0.000 0.859 207 D CB 0.936 41.855 40.800 0.199 0.000 1.045 207 D HN 0.291 nan 8.370 nan 0.000 0.495 208 M N 2.147 121.720 119.600 -0.044 0.000 2.659 208 M HA 0.012 4.492 4.480 0.000 0.000 0.243 208 M C 0.455 176.751 176.300 -0.006 0.000 1.111 208 M CA 0.364 55.555 55.300 -0.182 0.000 1.070 208 M CB -0.132 32.275 32.600 -0.321 0.000 1.525 208 M HN 0.345 nan 8.290 nan 0.000 0.517 209 D N -1.178 119.269 120.400 0.079 0.000 2.333 209 D HA -0.018 4.622 4.640 0.000 0.000 0.208 209 D C 0.569 176.939 176.300 0.116 0.000 0.984 209 D CA 0.441 54.503 54.000 0.104 0.000 0.873 209 D CB -0.034 40.833 40.800 0.111 0.000 0.935 209 D HN 0.439 nan 8.370 nan 0.000 0.521 210 H N 2.120 121.211 119.070 0.035 0.000 2.800 210 H HA 0.067 4.624 4.556 0.000 0.000 0.291 210 H C -1.266 174.075 175.328 0.022 0.000 1.076 210 H CA -1.556 54.517 56.048 0.042 0.000 1.452 210 H CB 1.694 31.502 29.762 0.076 0.000 1.461 210 H HN -0.155 nan 8.280 nan 0.000 0.488 211 P HA -0.222 nan 4.420 nan 0.000 0.216 211 P C 0.603 178.021 177.300 0.196 0.000 1.150 211 P CA 1.368 64.575 63.100 0.179 0.000 0.837 211 P CB 0.395 32.151 31.700 0.093 0.000 0.786 212 E N -0.268 120.161 120.200 0.381 0.000 2.150 212 E HA -0.082 4.268 4.350 0.000 0.000 0.193 212 E C 2.169 178.650 176.600 -0.198 0.000 0.985 212 E CA 0.828 57.297 56.400 0.115 0.000 0.814 212 E CB -0.457 29.349 29.700 0.177 0.000 0.752 212 E HN 0.104 nan 8.360 nan 0.000 0.466 213 V N 1.005 120.758 119.914 -0.269 0.000 2.270 213 V HA -0.226 3.894 4.120 0.000 0.000 0.245 213 V C 2.377 178.338 176.094 -0.221 0.000 1.043 213 V CA 1.304 63.343 62.300 -0.435 0.000 1.014 213 V CB -0.391 31.265 31.823 -0.278 0.000 0.645 213 V HN 0.120 nan 8.190 nan 0.000 0.447 214 V N 0.845 120.740 119.914 -0.031 0.000 2.287 214 V HA -0.336 3.784 4.120 0.000 0.000 0.248 214 V C 2.368 178.516 176.094 0.089 0.000 1.053 214 V CA 2.555 64.955 62.300 0.167 0.000 1.027 214 V CB -1.002 30.947 31.823 0.210 0.000 0.646 214 V HN 0.704 nan 8.190 nan 0.000 0.447 215 N N 0.011 118.701 118.700 -0.015 0.000 2.069 215 N HA -0.274 4.466 4.740 0.000 0.000 0.191 215 N C 2.011 177.459 175.510 -0.103 0.000 1.031 215 N CA 1.997 55.010 53.050 -0.061 0.000 0.852 215 N CB 0.014 38.478 38.487 -0.039 0.000 1.018 215 N HN 0.561 nan 8.380 nan 0.000 0.423 216 E N 1.234 121.271 120.200 -0.272 0.000 2.051 216 E HA -0.089 4.261 4.350 0.000 0.000 0.192 216 E C 2.276 178.823 176.600 -0.089 0.000 0.991 216 E CA 1.098 57.254 56.400 -0.407 0.000 0.799 216 E CB -0.552 28.366 29.700 -1.303 0.000 0.748 216 E HN 0.435 nan 8.360 nan 0.000 0.449 217 L N -0.066 121.160 121.223 0.005 0.000 2.083 217 L HA -0.126 4.214 4.340 0.000 0.000 0.209 217 L C 2.754 179.974 176.870 0.584 0.000 1.083 217 L CA 1.387 56.406 54.840 0.298 0.000 0.752 217 L CB -0.369 41.883 42.059 0.322 0.000 0.899 217 L HN 0.124 nan 8.230 nan 0.000 0.433 218 R N -0.163 120.551 120.500 0.356 0.000 2.066 218 R HA -0.111 4.229 4.340 0.000 0.000 0.232 218 R C 2.120 178.516 176.300 0.159 0.000 1.131 218 R CA 1.311 57.484 56.100 0.121 0.000 0.955 218 R CB -0.347 29.711 30.300 -0.403 0.000 0.851 218 R HN 0.431 nan 8.270 nan 0.000 0.432 219 N N 0.093 118.887 118.700 0.157 0.000 2.166 219 N HA -0.211 4.529 4.740 0.000 0.000 0.186 219 N C 1.420 177.127 175.510 0.328 0.000 1.019 219 N CA 1.137 54.319 53.050 0.219 0.000 0.856 219 N CB -0.307 38.280 38.487 0.167 0.000 0.993 219 N HN 0.355 nan 8.380 nan 0.000 0.426 220 W N 2.132 123.550 121.300 0.198 0.000 2.388 220 W HA 0.037 4.697 4.660 0.000 0.000 0.294 220 W C 2.253 178.947 176.519 0.291 0.000 1.212 220 W CA 1.569 59.009 57.345 0.158 0.000 1.271 220 W CB -0.711 28.653 29.460 -0.160 0.000 1.126 220 W HN 0.001 nan 8.180 nan 0.000 0.535 221 G N 0.553 109.452 108.800 0.165 0.000 2.440 221 G HA2 -0.290 3.670 3.960 0.000 0.000 0.218 221 G HA3 -0.290 3.670 3.960 0.000 0.000 0.218 221 G C 1.369 176.202 174.900 -0.111 0.000 1.154 221 G CA 1.864 46.932 45.100 -0.054 0.000 0.767 221 G HN 0.259 nan 8.290 nan 0.000 0.552 222 V N -0.567 119.341 119.914 -0.010 0.000 2.323 222 V HA -0.102 4.018 4.120 0.000 0.000 0.244 222 V C 2.233 178.357 176.094 0.050 0.000 1.041 222 V CA 1.696 64.001 62.300 0.010 0.000 1.025 222 V CB -0.679 31.177 31.823 0.055 0.000 0.656 222 V HN 0.634 nan 8.190 nan 0.000 0.451 223 W N 0.100 121.372 121.300 -0.046 0.000 2.335 223 W HA -0.300 4.360 4.660 0.000 0.000 0.311 223 W C 2.545 179.022 176.519 -0.070 0.000 1.213 223 W CA 2.062 59.408 57.345 0.003 0.000 1.274 223 W CB -0.530 29.033 29.460 0.170 0.000 1.148 223 W HN 0.371 nan 8.180 nan 0.000 0.498 224 Y N 1.295 121.461 120.300 -0.222 0.000 2.181 224 Y HA -0.226 4.324 4.550 0.000 0.000 0.288 224 Y C 2.529 178.243 175.900 -0.310 0.000 1.146 224 Y CA 2.642 60.490 58.100 -0.421 0.000 1.164 224 Y CB -0.960 36.991 38.460 -0.848 0.000 0.982 224 Y HN -0.124 nan 8.280 nan 0.000 0.515 225 T N 0.724 115.161 114.554 -0.196 0.000 2.737 225 T HA -0.151 4.199 4.350 0.000 0.000 0.265 225 T C 1.627 176.160 174.700 -0.278 0.000 1.038 225 T CA 1.581 63.549 62.100 -0.219 0.000 1.144 225 T CB -0.246 68.583 68.868 -0.064 0.000 0.866 225 T HN 0.349 nan 8.240 nan 0.000 0.434 226 N N 0.758 119.304 118.700 -0.256 0.000 2.216 226 N HA -0.027 4.713 4.740 0.000 0.000 0.183 226 N C 2.058 177.362 175.510 -0.343 0.000 1.017 226 N CA 1.039 53.938 53.050 -0.252 0.000 0.861 226 N CB -0.747 37.631 38.487 -0.181 0.000 0.986 226 N HN 0.328 nan 8.380 nan 0.000 0.428 227 T N 1.394 115.622 114.554 -0.544 0.000 2.746 227 T HA 0.013 4.363 4.350 0.000 0.000 0.267 227 T C 1.910 176.348 174.700 -0.438 0.000 1.039 227 T CA 0.814 62.535 62.100 -0.632 0.000 1.142 227 T CB -0.047 68.100 68.868 -1.201 0.000 0.866 227 T HN 0.159 nan 8.240 nan 0.000 0.444 228 L N -0.255 120.707 121.223 -0.435 0.000 2.513 228 L HA 0.310 4.650 4.340 0.000 0.000 0.222 228 L C 1.615 178.308 176.870 -0.295 0.000 1.096 228 L CA 0.225 54.850 54.840 -0.358 0.000 0.857 228 L CB -0.204 41.608 42.059 -0.411 0.000 1.026 228 L HN 0.469 nan 8.230 nan 0.000 0.469 229 G N 1.722 110.351 108.800 -0.285 0.000 2.289 229 G HA2 -0.256 3.704 3.960 0.000 0.000 0.280 229 G HA3 -0.256 3.704 3.960 0.000 0.000 0.280 229 G C 0.007 174.773 174.900 -0.224 0.000 1.089 229 G CA -0.225 44.740 45.100 -0.224 0.000 0.939 229 G HN 0.183 nan 8.290 nan 0.000 0.499 230 L N -0.247 120.811 121.223 -0.275 0.000 2.439 230 L HA 0.282 4.622 4.340 0.000 0.000 0.269 230 L C 1.007 177.738 176.870 -0.232 0.000 1.179 230 L CA -0.354 54.325 54.840 -0.268 0.000 0.828 230 L CB 0.523 42.361 42.059 -0.369 0.000 1.106 230 L HN 0.122 nan 8.230 nan 0.000 0.467 231 D N 1.353 121.674 120.400 -0.131 0.000 2.379 231 D HA 0.226 4.866 4.640 0.000 0.000 0.208 231 D C 0.640 176.948 176.300 0.014 0.000 1.065 231 D CA 0.405 54.378 54.000 -0.045 0.000 0.848 231 D CB 1.325 42.139 40.800 0.023 0.000 0.949 231 D HN 0.719 nan 8.370 nan 0.000 0.509 232 G N -0.225 108.520 108.800 -0.092 0.000 2.430 232 G HA2 0.443 4.403 3.960 0.000 0.000 0.300 232 G HA3 0.443 4.403 3.960 0.000 0.000 0.300 232 G C -1.909 172.701 174.900 -0.484 0.000 1.330 232 G CA -0.844 44.073 45.100 -0.305 0.000 0.813 232 G HN -0.051 nan 8.290 nan 0.000 0.487 233 F N -0.491 119.475 119.950 0.027 0.000 2.613 233 F HA 0.797 5.324 4.527 0.000 0.000 0.314 233 F C 0.170 175.942 175.800 -0.047 0.000 1.075 233 F CA -1.108 56.956 58.000 0.107 0.000 0.945 233 F CB 2.397 41.524 39.000 0.211 0.000 1.310 233 F HN 0.377 nan 8.300 nan 0.000 0.467 234 R N 3.148 123.777 120.500 0.214 0.000 2.358 234 R HA 0.484 4.824 4.340 0.000 0.000 0.309 234 R C -1.557 174.805 176.300 0.103 0.000 1.026 234 R CA -0.257 55.788 56.100 -0.091 0.000 0.909 234 R CB 0.273 30.150 30.300 -0.705 0.000 1.153 234 R HN 0.795 nan 8.270 nan 0.000 0.515 235 I N 3.213 123.833 120.570 0.085 0.000 2.352 235 I HA 0.084 4.254 4.170 0.000 0.000 0.290 235 I C 0.498 176.678 176.117 0.105 0.000 1.036 235 I CA -0.459 60.886 61.300 0.075 0.000 1.336 235 I CB 0.896 38.890 38.000 -0.009 0.000 1.407 235 I HN 0.437 nan 8.210 nan 0.000 0.497 236 D N 5.765 126.251 120.400 0.143 0.000 2.350 236 D HA 0.353 4.993 4.640 0.000 0.000 0.249 236 D C 0.635 176.972 176.300 0.061 0.000 1.119 236 D CA 0.196 54.290 54.000 0.157 0.000 0.886 236 D CB 0.855 41.821 40.800 0.276 0.000 1.195 236 D HN 0.791 nan 8.370 nan 0.000 0.437 237 A N 2.837 125.683 122.820 0.044 0.000 2.415 237 A HA -0.170 4.150 4.320 0.000 0.000 0.292 237 A C 1.403 178.940 177.584 -0.078 0.000 1.452 237 A CA 0.925 52.970 52.037 0.014 0.000 0.750 237 A CB -2.139 16.948 19.000 0.145 0.000 1.099 237 A HN 1.043 nan 8.150 nan 0.000 0.391 238 V N -0.976 118.838 119.914 -0.168 0.000 3.141 238 V HA -0.147 3.973 4.120 0.000 0.000 0.265 238 V C 1.990 177.891 176.094 -0.321 0.000 1.126 238 V CA 2.138 64.334 62.300 -0.173 0.000 1.141 238 V CB -0.696 31.029 31.823 -0.164 0.000 0.743 238 V HN 0.952 nan 8.190 nan 0.000 0.492 239 K N -0.504 119.440 120.400 -0.760 0.000 2.432 239 K HA -0.057 4.263 4.320 0.000 0.000 0.196 239 K C 1.524 177.790 176.600 -0.557 0.000 1.038 239 K CA 1.218 56.934 56.287 -0.953 0.000 0.986 239 K CB -0.373 31.054 32.500 -1.789 0.000 0.782 239 K HN 0.606 nan 8.250 nan 0.000 0.485 240 H N 0.296 119.221 119.070 -0.242 0.000 2.586 240 H HA 0.321 4.877 4.556 0.000 0.000 0.273 240 H C 0.072 175.376 175.328 -0.041 0.000 0.997 240 H CA -0.061 55.886 56.048 -0.167 0.000 1.177 240 H CB 0.357 29.968 29.762 -0.251 0.000 1.471 240 H HN 0.132 nan 8.280 nan 0.000 0.538 241 I N 1.352 121.979 120.570 0.095 0.000 2.474 241 I HA 0.125 4.295 4.170 0.000 0.000 0.294 241 I C 0.534 176.786 176.117 0.226 0.000 1.005 241 I CA -0.992 60.391 61.300 0.137 0.000 1.113 241 I CB 2.520 40.606 38.000 0.144 0.000 1.289 241 I HN -0.193 nan 8.210 nan 0.000 0.436 242 K N 4.799 125.301 120.400 0.169 0.000 2.440 242 K HA -0.090 4.230 4.320 0.000 0.000 0.275 242 K C 0.387 177.196 176.600 0.349 0.000 1.082 242 K CA 0.218 56.601 56.287 0.160 0.000 1.135 242 K CB 0.322 32.913 32.500 0.151 0.000 0.864 242 K HN 0.443 nan 8.250 nan 0.000 0.479 243 Y N 1.807 122.178 120.300 0.117 0.000 2.114 243 Y HA -0.315 4.236 4.550 0.000 0.000 0.282 243 Y C 2.680 178.639 175.900 0.098 0.000 1.165 243 Y CA 1.759 59.946 58.100 0.144 0.000 1.148 243 Y CB -1.254 37.233 38.460 0.045 0.000 0.972 243 Y HN 0.806 nan 8.280 nan 0.000 0.504 244 S N -0.073 115.771 115.700 0.239 0.000 2.382 244 S HA -0.248 4.222 4.470 0.000 0.000 0.228 244 S C 2.024 176.740 174.600 0.194 0.000 1.027 244 S CA 1.099 59.398 58.200 0.163 0.000 0.991 244 S CB -1.323 61.955 63.200 0.130 0.000 0.823 244 S HN 0.360 nan 8.310 nan 0.000 0.469 245 F N 3.047 123.068 119.950 0.120 0.000 2.069 245 F HA -0.075 4.452 4.527 0.000 0.000 0.298 245 F C 2.437 178.329 175.800 0.153 0.000 1.113 245 F CA 2.151 60.224 58.000 0.121 0.000 1.214 245 F CB -1.184 37.872 39.000 0.093 0.000 0.978 245 F HN 0.197 nan 8.300 nan 0.000 0.474 246 T N 1.236 115.819 114.554 0.048 0.000 2.720 246 T HA -0.246 4.104 4.350 0.000 0.000 0.268 246 T C 2.107 176.772 174.700 -0.058 0.000 1.037 246 T CA 1.716 63.774 62.100 -0.070 0.000 1.144 246 T CB -0.429 68.525 68.868 0.142 0.000 0.864 246 T HN 0.299 nan 8.240 nan 0.000 0.444 247 R N 1.059 121.557 120.500 -0.003 0.000 2.082 247 R HA -0.151 4.189 4.340 0.000 0.000 0.234 247 R C 1.815 178.104 176.300 -0.018 0.000 1.136 247 R CA 2.100 58.194 56.100 -0.010 0.000 0.935 247 R CB -0.362 29.939 30.300 0.002 0.000 0.842 247 R HN 0.299 nan 8.270 nan 0.000 0.430 248 D N -0.736 119.653 120.400 -0.018 0.000 2.219 248 D HA -0.177 4.463 4.640 0.000 0.000 0.205 248 D C 1.462 177.733 176.300 -0.048 0.000 0.970 248 D CA 0.860 54.851 54.000 -0.016 0.000 0.851 248 D CB -0.345 40.465 40.800 0.017 0.000 0.943 248 D HN 0.414 nan 8.370 nan 0.000 0.488 249 W N 1.655 122.737 121.300 -0.363 0.000 2.379 249 W HA -0.060 4.600 4.660 0.000 0.000 0.307 249 W C 2.072 178.474 176.519 -0.194 0.000 1.200 249 W CA 0.949 58.051 57.345 -0.405 0.000 1.297 249 W CB -0.363 28.628 29.460 -0.782 0.000 1.140 249 W HN -0.181 nan 8.180 nan 0.000 0.507 250 I N 0.832 121.386 120.570 -0.026 0.000 2.226 250 I HA -0.358 3.812 4.170 0.000 0.000 0.245 250 I C 2.075 178.092 176.117 -0.167 0.000 1.100 250 I CA 1.906 63.127 61.300 -0.131 0.000 1.374 250 I CB -0.844 37.131 38.000 -0.042 0.000 1.057 250 I HN 0.142 nan 8.210 nan 0.000 0.413 251 N N -0.423 118.216 118.700 -0.101 0.000 2.142 251 N HA -0.247 4.493 4.740 0.000 0.000 0.186 251 N C 1.939 177.381 175.510 -0.113 0.000 1.023 251 N CA 1.001 54.005 53.050 -0.077 0.000 0.852 251 N CB -0.168 38.302 38.487 -0.030 0.000 0.998 251 N HN 0.363 nan 8.380 nan 0.000 0.424 252 H N 0.850 119.791 119.070 -0.215 0.000 2.290 252 H HA -0.066 4.490 4.556 0.000 0.000 0.298 252 H C 1.863 177.032 175.328 -0.263 0.000 1.087 252 H CA 1.667 57.582 56.048 -0.223 0.000 1.291 252 H CB -0.289 29.317 29.762 -0.260 0.000 1.369 252 H HN -0.056 nan 8.280 nan 0.000 0.492 253 V N 0.730 120.397 119.914 -0.411 0.000 2.343 253 V HA -0.222 3.899 4.120 0.000 0.000 0.247 253 V C 2.535 178.476 176.094 -0.255 0.000 1.051 253 V CA 2.166 64.229 62.300 -0.395 0.000 1.036 253 V CB -0.504 31.007 31.823 -0.520 0.000 0.654 253 V HN 0.391 nan 8.190 nan 0.000 0.451 254 R N -0.076 120.306 120.500 -0.198 0.000 2.096 254 R HA -0.140 4.200 4.340 0.000 0.000 0.235 254 R C 2.700 178.910 176.300 -0.150 0.000 1.127 254 R CA 1.648 57.667 56.100 -0.135 0.000 0.968 254 R CB -0.475 29.769 30.300 -0.093 0.000 0.861 254 R HN 0.495 nan 8.270 nan 0.000 0.440 255 S N 0.170 115.757 115.700 -0.189 0.000 2.371 255 S HA -0.034 4.436 4.470 0.000 0.000 0.224 255 S C 1.965 176.439 174.600 -0.210 0.000 1.029 255 S CA 0.986 59.079 58.200 -0.178 0.000 0.978 255 S CB -0.026 63.071 63.200 -0.171 0.000 0.833 255 S HN 0.418 nan 8.310 nan 0.000 0.466 256 A N 0.431 123.057 122.820 -0.323 0.000 2.119 256 A HA 0.028 4.348 4.320 0.000 0.000 0.217 256 A C 2.105 179.584 177.584 -0.173 0.000 1.153 256 A CA 1.804 53.672 52.037 -0.282 0.000 0.692 256 A CB -0.756 17.988 19.000 -0.426 0.000 0.799 256 A HN 0.730 nan 8.150 nan 0.000 0.458 257 T N -5.702 108.754 114.554 -0.162 0.000 3.044 257 T HA 0.414 4.764 4.350 0.000 0.000 0.260 257 T C 1.337 175.976 174.700 -0.102 0.000 1.019 257 T CA 1.038 63.066 62.100 -0.121 0.000 0.921 257 T CB 0.164 68.959 68.868 -0.122 0.000 1.053 257 T HN 1.554 nan 8.240 nan 0.000 0.533 258 G N 1.928 110.668 108.800 -0.101 0.000 2.187 258 G HA2 -0.247 3.713 3.960 0.000 0.000 0.261 258 G HA3 -0.247 3.713 3.960 0.000 0.000 0.261 258 G C -0.120 174.736 174.900 -0.074 0.000 1.000 258 G CA 0.312 45.364 45.100 -0.079 0.000 0.718 258 G HN 0.639 nan 8.290 nan 0.000 0.519 259 K N -0.301 120.048 120.400 -0.084 0.000 2.270 259 K HA 0.314 4.634 4.320 0.000 0.000 0.255 259 K C -0.521 176.038 176.600 -0.069 0.000 0.936 259 K CA -1.017 55.224 56.287 -0.077 0.000 0.809 259 K CB 1.427 33.870 32.500 -0.095 0.000 1.131 259 K HN 0.074 nan 8.250 nan 0.000 0.427 260 N N 3.728 122.401 118.700 -0.046 0.000 3.124 260 N HA 0.044 4.784 4.740 0.000 0.000 0.284 260 N C -0.329 175.169 175.510 -0.020 0.000 1.209 260 N CA -0.179 52.854 53.050 -0.029 0.000 1.149 260 N CB 0.132 38.613 38.487 -0.009 0.000 1.434 260 N HN 0.422 nan 8.380 nan 0.000 0.529 261 M N 2.194 121.759 119.600 -0.060 0.000 2.284 261 M HA 0.001 4.481 4.480 0.000 0.000 0.351 261 M C 0.315 176.585 176.300 -0.049 0.000 1.443 261 M CA 0.035 55.273 55.300 -0.103 0.000 1.031 261 M CB -0.683 31.788 32.600 -0.214 0.000 1.893 261 M HN 0.316 nan 8.290 nan 0.000 0.456 262 F N 2.736 122.602 119.950 -0.140 0.000 2.450 262 F HA 0.494 5.021 4.527 0.000 0.000 0.339 262 F C -0.238 175.438 175.800 -0.206 0.000 1.146 262 F CA -0.484 57.424 58.000 -0.154 0.000 1.267 262 F CB 0.700 39.582 39.000 -0.197 0.000 1.178 262 F HN 0.640 nan 8.300 nan 0.000 0.585 263 A N 5.332 127.394 122.820 -1.264 0.000 2.437 263 A HA 0.583 4.903 4.320 0.000 0.000 0.293 263 A C -1.926 175.154 177.584 -0.840 0.000 1.038 263 A CA -0.594 51.031 52.037 -0.686 0.000 0.708 263 A CB 1.248 20.126 19.000 -0.204 0.000 1.251 263 A HN 0.963 nan 8.150 nan 0.000 0.409 264 V N 2.879 122.486 119.914 -0.513 0.000 2.407 264 V HA 0.772 4.892 4.120 0.000 0.000 0.291 264 V C 0.212 176.167 176.094 -0.232 0.000 1.018 264 V CA 0.136 62.186 62.300 -0.417 0.000 0.842 264 V CB 1.115 32.614 31.823 -0.540 0.000 0.996 264 V HN 1.709 nan 8.190 nan 0.000 0.426 265 A N 5.056 127.865 122.820 -0.017 0.000 2.303 265 A HA 0.656 4.976 4.320 0.000 0.000 0.317 265 A C 0.020 177.681 177.584 0.128 0.000 1.149 265 A CA -0.548 51.555 52.037 0.110 0.000 0.822 265 A CB 0.896 20.099 19.000 0.338 0.000 1.131 265 A HN 0.888 nan 8.150 nan 0.000 0.493 266 E N 2.186 122.508 120.200 0.204 0.000 1.993 266 E HA 0.255 4.605 4.350 0.000 0.000 0.271 266 E C -1.827 174.850 176.600 0.129 0.000 1.008 266 E CA -0.218 56.372 56.400 0.317 0.000 0.814 266 E CB 0.286 30.153 29.700 0.278 0.000 1.098 266 E HN 0.452 nan 8.360 nan 0.000 0.407 267 F N 6.255 126.178 119.950 -0.045 0.000 2.309 267 F HA 0.201 4.729 4.527 0.000 0.000 0.366 267 F C -0.562 175.203 175.800 -0.057 0.000 1.104 267 F CA -0.885 56.989 58.000 -0.211 0.000 1.179 267 F CB 0.399 39.145 39.000 -0.422 0.000 1.437 267 F HN 0.537 nan 8.300 nan 0.000 0.528 268 W N 8.770 129.996 121.300 -0.123 0.000 2.290 268 W HA 0.295 4.955 4.660 -0.000 0.000 0.408 268 W C -0.931 175.616 176.519 0.046 0.000 0.966 268 W CA -0.371 56.977 57.345 0.006 0.000 1.579 268 W CB 0.233 29.657 29.460 -0.059 0.000 1.662 268 W HN 0.444 nan 8.180 nan 0.000 0.341 269 K N 3.613 123.985 120.400 -0.046 0.000 2.535 269 K HA 0.064 4.384 4.320 0.000 0.000 0.251 269 K C -0.331 176.233 176.600 -0.061 0.000 0.942 269 K CA -0.577 55.733 56.287 0.038 0.000 0.798 269 K CB 1.126 33.769 32.500 0.238 0.000 1.267 269 K HN 0.015 nan 8.250 nan 0.000 0.434 270 N N 3.003 121.628 118.700 -0.126 0.000 3.303 270 N HA 0.047 4.787 4.740 0.000 0.000 0.304 270 N C -1.699 173.773 175.510 -0.064 0.000 1.302 270 N CA 0.054 53.009 53.050 -0.157 0.000 1.213 270 N CB 0.161 38.377 38.487 -0.452 0.000 1.481 270 N HN 0.505 nan 8.380 nan 0.000 0.546 271 D N 1.068 121.462 120.400 -0.011 0.000 2.764 271 D HA 0.035 4.675 4.640 0.000 0.000 0.227 271 D C 0.453 176.750 176.300 -0.005 0.000 1.347 271 D CA -0.615 53.390 54.000 0.008 0.000 0.953 271 D CB 0.815 41.638 40.800 0.037 0.000 1.476 271 D HN 0.075 nan 8.370 nan 0.000 0.585 272 L N 4.263 125.488 121.223 0.002 0.000 2.093 272 L HA 0.225 4.565 4.340 0.000 0.000 0.208 272 L C 2.044 178.902 176.870 -0.020 0.000 1.085 272 L CA 2.562 57.402 54.840 -0.001 0.000 0.755 272 L CB -0.688 41.389 42.059 0.029 0.000 0.904 272 L HN 0.608 nan 8.230 nan 0.000 0.435 273 G N -0.730 108.070 108.800 -0.001 0.000 2.491 273 G HA2 -0.337 3.623 3.960 0.000 0.000 0.218 273 G HA3 -0.337 3.623 3.960 0.000 0.000 0.218 273 G C 1.622 176.496 174.900 -0.042 0.000 1.180 273 G CA 1.093 46.194 45.100 0.002 0.000 0.774 273 G HN 0.643 nan 8.290 nan 0.000 0.562 274 A N 0.679 123.474 122.820 -0.043 0.000 1.908 274 A HA 0.000 4.320 4.320 0.000 0.000 0.218 274 A C 2.442 179.770 177.584 -0.427 0.000 1.181 274 A CA 1.497 53.483 52.037 -0.084 0.000 0.627 274 A CB -0.386 18.667 19.000 0.088 0.000 0.818 274 A HN 0.408 nan 8.150 nan 0.000 0.445 275 I N -0.528 119.758 120.570 -0.475 0.000 2.286 275 I HA -0.244 3.926 4.170 0.000 0.000 0.248 275 I C 2.478 178.319 176.117 -0.459 0.000 1.115 275 I CA 1.469 62.376 61.300 -0.655 0.000 1.392 275 I CB -0.476 37.315 38.000 -0.348 0.000 1.065 275 I HN 0.434 nan 8.210 nan 0.000 0.418 276 E N 0.666 120.705 120.200 -0.269 0.000 2.110 276 E HA -0.260 4.090 4.350 0.000 0.000 0.193 276 E C 1.815 178.200 176.600 -0.358 0.000 0.988 276 E CA 1.397 57.642 56.400 -0.258 0.000 0.804 276 E CB -0.248 29.448 29.700 -0.008 0.000 0.745 276 E HN 0.416 nan 8.360 nan 0.000 0.458 277 N N 0.583 119.134 118.700 -0.247 0.000 2.069 277 N HA -0.237 4.503 4.740 0.000 0.000 0.191 277 N C 1.736 177.067 175.510 -0.299 0.000 1.031 277 N CA 1.262 54.205 53.050 -0.179 0.000 0.852 277 N CB -0.360 38.106 38.487 -0.034 0.000 1.018 277 N HN 0.184 nan 8.380 nan 0.000 0.423 278 Y N 0.818 120.754 120.300 -0.607 0.000 2.165 278 Y HA -0.101 4.449 4.550 0.000 0.000 0.286 278 Y C 1.937 177.388 175.900 -0.749 0.000 1.155 278 Y CA 1.548 59.145 58.100 -0.839 0.000 1.164 278 Y CB -0.426 37.382 38.460 -1.087 0.000 0.978 278 Y HN 0.132 nan 8.280 nan 0.000 0.513 279 L N -0.137 120.510 121.223 -0.959 0.000 2.017 279 L HA -0.264 4.076 4.340 0.000 0.000 0.208 279 L C 2.595 178.511 176.870 -1.590 0.000 1.073 279 L CA 1.745 55.731 54.840 -1.424 0.000 0.745 279 L CB -0.704 40.279 42.059 -1.794 0.000 0.894 279 L HN 0.276 nan 8.230 nan 0.000 0.432 280 Q N -0.203 118.898 119.800 -1.165 0.000 2.084 280 Q HA -0.182 4.158 4.340 0.000 0.000 0.202 280 Q C 2.195 177.955 176.000 -0.399 0.000 0.978 280 Q CA 1.040 56.464 55.803 -0.632 0.000 0.844 280 Q CB -0.086 28.531 28.738 -0.201 0.000 0.898 280 Q HN 0.322 nan 8.270 nan 0.000 0.426 281 K N 0.344 120.525 120.400 -0.365 0.000 2.209 281 K HA -0.071 4.249 4.320 0.000 0.000 0.204 281 K C 1.911 178.365 176.600 -0.243 0.000 1.048 281 K CA 1.462 57.633 56.287 -0.193 0.000 0.940 281 K CB -0.315 32.182 32.500 -0.005 0.000 0.729 281 K HN 0.369 nan 8.250 nan 0.000 0.451 282 T N -1.399 112.867 114.554 -0.481 0.000 3.206 282 T HA 0.107 4.457 4.350 0.000 0.000 0.253 282 T C -0.024 174.523 174.700 -0.255 0.000 1.042 282 T CA -0.362 61.514 62.100 -0.372 0.000 0.931 282 T CB -0.368 68.171 68.868 -0.549 0.000 1.029 282 T HN 0.052 nan 8.240 nan 0.000 0.564 283 N N 0.824 119.385 118.700 -0.231 0.000 2.708 283 N HA -0.202 4.538 4.740 0.000 0.000 0.249 283 N C -0.475 175.093 175.510 0.097 0.000 1.097 283 N CA 1.060 54.096 53.050 -0.024 0.000 0.710 283 N CB -2.399 36.108 38.487 0.033 0.000 1.032 283 N HN 0.798 nan 8.380 nan 0.000 0.551 284 W N -2.282 118.885 121.300 -0.220 0.000 5.271 284 W HA -0.274 4.386 4.660 0.000 0.000 0.364 284 W C 1.098 177.651 176.519 0.057 0.000 1.342 284 W CA 0.648 57.865 57.345 -0.212 0.000 0.899 284 W CB -2.329 26.952 29.460 -0.299 0.000 2.450 284 W HN 0.530 nan 8.180 nan 0.000 1.508 285 N N 0.952 119.743 118.700 0.151 0.000 2.449 285 N HA -0.098 4.643 4.740 0.000 0.000 0.191 285 N C 0.512 176.148 175.510 0.209 0.000 1.161 285 N CA 1.740 54.898 53.050 0.180 0.000 0.863 285 N CB -0.367 38.194 38.487 0.122 0.000 0.980 285 N HN 0.566 nan 8.380 nan 0.000 0.458 286 H N -4.139 114.940 119.070 0.016 0.000 2.950 286 H HA 0.440 4.996 4.556 0.000 0.000 0.307 286 H C -1.458 173.859 175.328 -0.019 0.000 1.403 286 H CA -0.733 55.250 56.048 -0.108 0.000 1.145 286 H CB 0.175 29.839 29.762 -0.164 0.000 1.844 286 H HN -0.119 nan 8.280 nan 0.000 0.515 287 S N -0.152 115.439 115.700 -0.182 0.000 2.707 287 S HA 0.647 5.117 4.470 0.000 0.000 0.276 287 S C 0.158 174.686 174.600 -0.121 0.000 1.179 287 S CA -0.067 58.067 58.200 -0.110 0.000 0.992 287 S CB 1.379 64.563 63.200 -0.027 0.000 1.030 287 S HN 0.682 nan 8.310 nan 0.000 0.554 288 V N -0.997 118.881 119.914 -0.061 0.000 3.007 288 V HA 0.672 4.792 4.120 0.000 0.000 0.311 288 V C -1.195 174.874 176.094 -0.043 0.000 1.120 288 V CA -1.135 61.135 62.300 -0.051 0.000 0.980 288 V CB 0.914 32.751 31.823 0.024 0.000 1.033 288 V HN 0.639 nan 8.190 nan 0.000 0.429 289 F N 1.287 121.300 119.950 0.105 0.000 2.471 289 F HA 0.345 4.872 4.527 0.000 0.000 0.353 289 F C 1.068 177.007 175.800 0.231 0.000 1.113 289 F CA 0.144 58.243 58.000 0.165 0.000 1.262 289 F CB 0.486 39.492 39.000 0.009 0.000 1.146 289 F HN 0.694 nan 8.300 nan 0.000 0.578 290 D N 3.237 123.949 120.400 0.520 0.000 2.508 290 D HA 0.094 4.734 4.640 0.000 0.000 0.224 290 D C 1.034 177.485 176.300 0.250 0.000 1.171 290 D CA 0.187 54.367 54.000 0.300 0.000 1.006 290 D CB 0.445 41.377 40.800 0.221 0.000 1.073 290 D HN 0.291 nan 8.370 nan 0.000 0.513 291 V N 4.481 124.507 119.914 0.185 0.000 2.490 291 V HA -0.132 3.988 4.120 0.000 0.000 0.250 291 V C -0.788 175.331 176.094 0.042 0.000 1.061 291 V CA 1.295 63.575 62.300 -0.034 0.000 1.064 291 V CB -0.923 30.674 31.823 -0.377 0.000 0.670 291 V HN 0.433 nan 8.190 nan 0.000 0.461 292 P HA -0.106 nan 4.420 nan 0.000 0.217 292 P C 1.911 179.246 177.300 0.059 0.000 1.151 292 P CA 0.894 64.057 63.100 0.105 0.000 0.828 292 P CB -0.024 31.717 31.700 0.068 0.000 0.788 293 L N -0.471 120.757 121.223 0.009 0.000 2.046 293 L HA -0.185 4.155 4.340 0.000 0.000 0.208 293 L C 2.400 179.148 176.870 -0.203 0.000 1.077 293 L CA 2.048 56.850 54.840 -0.063 0.000 0.747 293 L CB -1.616 40.434 42.059 -0.015 0.000 0.896 293 L HN 0.029 nan 8.230 nan 0.000 0.432 294 H N -1.661 117.157 119.070 -0.420 0.000 2.352 294 H HA -0.251 4.305 4.556 0.000 0.000 0.299 294 H C 1.871 176.948 175.328 -0.417 0.000 1.097 294 H CA 2.522 58.192 56.048 -0.630 0.000 1.311 294 H CB -0.481 28.676 29.762 -1.009 0.000 1.377 294 H HN 0.471 nan 8.280 nan 0.000 0.504 295 Y N 0.089 120.164 120.300 -0.377 0.000 2.314 295 Y HA -0.103 4.447 4.550 0.000 0.000 0.293 295 Y C 2.330 178.099 175.900 -0.218 0.000 1.129 295 Y CA 1.200 59.143 58.100 -0.262 0.000 1.201 295 Y CB -0.288 38.130 38.460 -0.071 0.000 0.999 295 Y HN 0.309 nan 8.280 nan 0.000 0.541 296 N N -0.030 118.616 118.700 -0.091 0.000 2.120 296 N HA -0.142 4.598 4.740 0.000 0.000 0.188 296 N C 1.824 177.055 175.510 -0.464 0.000 1.024 296 N CA 1.204 54.148 53.050 -0.177 0.000 0.852 296 N CB -0.611 37.824 38.487 -0.086 0.000 1.003 296 N HN 0.272 nan 8.380 nan 0.000 0.424 297 L N -0.692 120.289 121.223 -0.402 0.000 2.046 297 L HA -0.194 4.146 4.340 0.000 0.000 0.208 297 L C 2.212 178.729 176.870 -0.587 0.000 1.077 297 L CA 1.232 55.819 54.840 -0.421 0.000 0.747 297 L CB -0.546 41.355 42.059 -0.263 0.000 0.896 297 L HN 0.247 nan 8.230 nan 0.000 0.432 298 Y N 1.032 120.956 120.300 -0.626 0.000 2.114 298 Y HA -0.257 4.293 4.550 0.000 0.000 0.284 298 Y C 2.584 178.214 175.900 -0.450 0.000 1.143 298 Y CA 1.666 59.449 58.100 -0.528 0.000 1.135 298 Y CB -0.106 38.028 38.460 -0.543 0.000 0.980 298 Y HN 0.187 nan 8.280 nan 0.000 0.499 299 N N 0.722 119.093 118.700 -0.548 0.000 2.149 299 N HA -0.193 4.547 4.740 0.000 0.000 0.188 299 N C 1.889 176.992 175.510 -0.677 0.000 1.019 299 N CA 1.343 54.068 53.050 -0.542 0.000 0.857 299 N CB -0.548 37.823 38.487 -0.193 0.000 0.997 299 N HN 0.572 nan 8.380 nan 0.000 0.426 300 A N 0.873 123.029 122.820 -1.106 0.000 1.898 300 A HA -0.110 4.210 4.320 0.000 0.000 0.216 300 A C 2.351 179.334 177.584 -1.001 0.000 1.181 300 A CA 1.847 53.138 52.037 -1.243 0.000 0.620 300 A CB -0.706 17.335 19.000 -1.599 0.000 0.819 300 A HN 0.446 nan 8.150 nan 0.000 0.442 301 S N -0.961 113.984 115.700 -1.258 0.000 2.474 301 S HA -0.029 4.441 4.470 0.000 0.000 0.235 301 S C 1.353 175.839 174.600 -0.191 0.000 0.997 301 S CA 1.129 58.796 58.200 -0.889 0.000 0.949 301 S CB -0.059 62.678 63.200 -0.772 0.000 0.766 301 S HN 0.394 nan 8.310 nan 0.000 0.517 302 K N 0.873 121.075 120.400 -0.329 0.000 2.358 302 K HA 0.366 4.686 4.320 0.000 0.000 0.200 302 K C 0.775 177.330 176.600 -0.074 0.000 1.030 302 K CA 0.132 56.304 56.287 -0.191 0.000 1.097 302 K CB 0.414 32.658 32.500 -0.427 0.000 0.862 302 K HN 0.346 nan 8.250 nan 0.000 0.534 303 S N -0.025 115.661 115.700 -0.024 0.000 2.556 303 S HA 0.103 4.573 4.470 0.000 0.000 0.216 303 S C 1.026 175.677 174.600 0.085 0.000 0.970 303 S CA 0.367 58.596 58.200 0.047 0.000 0.912 303 S CB 0.481 63.748 63.200 0.112 0.000 0.790 303 S HN 0.513 nan 8.310 nan 0.000 0.504 304 G N 1.344 110.211 108.800 0.112 0.000 2.341 304 G HA2 -0.122 3.838 3.960 0.000 0.000 0.292 304 G HA3 -0.122 3.838 3.960 0.000 0.000 0.292 304 G C 0.972 175.886 174.900 0.025 0.000 1.021 304 G CA 0.378 45.480 45.100 0.004 0.000 0.905 304 G HN 1.248 nan 8.290 nan 0.000 0.508 305 G N -1.186 107.714 108.800 0.167 0.000 2.213 305 G HA2 -0.295 3.665 3.960 0.000 0.000 0.226 305 G HA3 -0.295 3.665 3.960 0.000 0.000 0.226 305 G C 0.855 175.871 174.900 0.193 0.000 0.992 305 G CA 0.727 45.943 45.100 0.194 0.000 0.632 305 G HN 0.783 nan 8.290 nan 0.000 0.511 306 N N -0.241 118.548 118.700 0.147 0.000 2.398 306 N HA 0.141 4.881 4.740 0.000 0.000 0.188 306 N C 0.396 175.979 175.510 0.122 0.000 1.122 306 N CA -0.045 53.069 53.050 0.108 0.000 0.866 306 N CB -0.036 38.481 38.487 0.052 0.000 0.970 306 N HN 0.577 nan 8.380 nan 0.000 0.462 307 Y N 1.810 122.142 120.300 0.052 0.000 2.425 307 Y HA 0.019 4.569 4.550 -0.000 0.000 0.331 307 Y C 0.468 176.408 175.900 0.066 0.000 1.157 307 Y CA -0.379 57.735 58.100 0.023 0.000 1.372 307 Y CB 0.508 38.955 38.460 -0.022 0.000 1.253 307 Y HN -0.079 nan 8.280 nan 0.000 0.536 308 D N 6.721 126.891 120.400 -0.384 0.000 2.374 308 D HA 0.020 4.661 4.640 0.000 0.000 0.240 308 D C 0.808 177.054 176.300 -0.089 0.000 1.229 308 D CA -0.046 53.855 54.000 -0.165 0.000 0.895 308 D CB 0.643 41.318 40.800 -0.209 0.000 1.046 308 D HN 0.669 nan 8.370 nan 0.000 0.498 309 M N 2.967 122.666 119.600 0.164 0.000 2.446 309 M HA -0.114 4.366 4.480 0.000 0.000 0.263 309 M C 1.626 178.046 176.300 0.199 0.000 1.066 309 M CA 0.900 56.361 55.300 0.269 0.000 1.087 309 M CB -0.429 32.345 32.600 0.290 0.000 1.406 309 M HN 0.352 nan 8.290 nan 0.000 0.459 310 R N 0.051 120.633 120.500 0.136 0.000 2.237 310 R HA -0.068 4.272 4.340 0.000 0.000 0.219 310 R C 1.060 177.431 176.300 0.118 0.000 1.080 310 R CA 0.966 57.151 56.100 0.140 0.000 0.995 310 R CB -0.301 30.065 30.300 0.110 0.000 0.875 310 R HN 0.597 nan 8.270 nan 0.000 0.462 311 N N 0.021 118.759 118.700 0.062 0.000 2.236 311 N HA 0.018 4.758 4.740 0.000 0.000 0.196 311 N C 1.067 176.646 175.510 0.116 0.000 1.114 311 N CA -0.259 52.821 53.050 0.049 0.000 0.859 311 N CB 0.278 38.722 38.487 -0.072 0.000 0.982 311 N HN 0.004 nan 8.380 nan 0.000 0.493 312 I N 0.447 121.110 120.570 0.155 0.000 2.381 312 I HA -0.259 3.911 4.170 0.000 0.000 0.255 312 I C 0.557 176.536 176.117 -0.229 0.000 1.140 312 I CA 1.647 62.969 61.300 0.037 0.000 1.404 312 I CB -0.144 37.777 38.000 -0.132 0.000 1.075 312 I HN 0.131 nan 8.210 nan 0.000 0.433 313 F N -0.265 119.738 119.950 0.088 0.000 2.641 313 F HA 0.232 4.759 4.527 0.000 0.000 0.302 313 F C 0.746 176.564 175.800 0.030 0.000 1.098 313 F CA -0.709 57.311 58.000 0.033 0.000 1.318 313 F CB -0.344 38.650 39.000 -0.010 0.000 1.035 313 F HN -0.071 nan 8.300 nan 0.000 0.551 314 N N 0.609 119.408 118.700 0.165 0.000 2.497 314 N HA 0.252 4.992 4.740 0.000 0.000 0.268 314 N C 1.124 176.690 175.510 0.093 0.000 1.171 314 N CA 0.974 54.090 53.050 0.110 0.000 0.948 314 N CB 0.962 39.492 38.487 0.072 0.000 1.069 314 N HN 0.357 nan 8.380 nan 0.000 0.460 315 G N 0.527 109.370 108.800 0.072 0.000 2.155 315 G HA2 -0.298 3.662 3.960 0.000 0.000 0.257 315 G HA3 -0.298 3.662 3.960 0.000 0.000 0.257 315 G C 0.310 175.251 174.900 0.069 0.000 0.983 315 G CA 0.943 46.077 45.100 0.058 0.000 0.676 315 G HN 0.838 nan 8.290 nan 0.000 0.528 316 T N -2.767 111.845 114.554 0.096 0.000 2.922 316 T HA 0.634 4.984 4.350 0.000 0.000 0.285 316 T C 1.487 176.245 174.700 0.098 0.000 1.005 316 T CA -0.012 62.157 62.100 0.115 0.000 1.061 316 T CB 2.161 71.144 68.868 0.193 0.000 1.007 316 T HN 0.469 nan 8.240 nan 0.000 0.502 317 V N 2.308 122.290 119.914 0.113 0.000 2.453 317 V HA -0.090 4.030 4.120 0.000 0.000 0.247 317 V C 2.726 178.893 176.094 0.122 0.000 1.048 317 V CA 1.407 63.786 62.300 0.132 0.000 1.049 317 V CB -0.731 31.183 31.823 0.152 0.000 0.672 317 V HN 0.814 nan 8.190 nan 0.000 0.457 318 V N -0.248 119.736 119.914 0.116 0.000 2.594 318 V HA -0.292 3.828 4.120 0.000 0.000 0.253 318 V C 2.360 178.429 176.094 -0.042 0.000 1.069 318 V CA 2.550 64.886 62.300 0.060 0.000 1.082 318 V CB -0.039 31.821 31.823 0.062 0.000 0.680 318 V HN 0.688 nan 8.190 nan 0.000 0.469 319 Q N -0.800 118.981 119.800 -0.032 0.000 2.096 319 Q HA -0.137 4.203 4.340 0.000 0.000 0.197 319 Q C 2.505 178.437 176.000 -0.112 0.000 0.964 319 Q CA 1.196 56.940 55.803 -0.098 0.000 0.838 319 Q CB -0.063 28.666 28.738 -0.015 0.000 0.906 319 Q HN 0.513 nan 8.270 nan 0.000 0.444 320 R N -1.067 119.355 120.500 -0.130 0.000 2.090 320 R HA 0.023 4.363 4.340 0.000 0.000 0.219 320 R C 0.120 176.118 176.300 -0.504 0.000 1.100 320 R CA 0.625 56.527 56.100 -0.330 0.000 0.991 320 R CB 0.560 30.621 30.300 -0.399 0.000 0.893 320 R HN 0.293 nan 8.270 nan 0.000 0.443 321 H N 0.193 119.307 119.070 0.073 0.000 2.380 321 H HA 0.191 4.747 4.556 0.000 0.000 0.231 321 H C -1.974 173.438 175.328 0.139 0.000 1.415 321 H CA -1.797 54.320 56.048 0.115 0.000 1.433 321 H CB 1.473 31.378 29.762 0.239 0.000 1.544 321 H HN 0.171 nan 8.280 nan 0.000 0.503 322 P HA -0.128 nan 4.420 nan 0.000 0.217 322 P C 1.431 178.817 177.300 0.142 0.000 1.148 322 P CA 0.929 64.088 63.100 0.098 0.000 0.828 322 P CB 0.477 32.182 31.700 0.007 0.000 0.783 323 S N -1.245 114.565 115.700 0.184 0.000 2.453 323 S HA -0.098 4.372 4.470 0.000 0.000 0.231 323 S C 1.075 175.730 174.600 0.091 0.000 1.005 323 S CA 0.868 59.151 58.200 0.139 0.000 0.949 323 S CB -0.805 62.481 63.200 0.143 0.000 0.774 323 S HN 0.400 nan 8.310 nan 0.000 0.510 324 H N -0.046 119.129 119.070 0.174 0.000 2.528 324 H HA 0.565 5.121 4.556 0.000 0.000 0.282 324 H C 0.033 175.445 175.328 0.140 0.000 1.097 324 H CA -0.100 56.043 56.048 0.158 0.000 1.121 324 H CB 0.326 30.193 29.762 0.176 0.000 1.590 324 H HN 0.223 nan 8.280 nan 0.000 0.553 325 A N 0.915 123.881 122.820 0.242 0.000 2.271 325 A HA 0.550 4.870 4.320 0.000 0.000 0.317 325 A C -0.621 177.097 177.584 0.224 0.000 1.245 325 A CA -0.564 51.599 52.037 0.211 0.000 0.857 325 A CB 0.711 19.828 19.000 0.195 0.000 1.175 325 A HN 0.143 nan 8.150 nan 0.000 0.512 326 V N 3.751 123.778 119.914 0.189 0.000 2.311 326 V HA 0.349 4.469 4.120 0.000 0.000 0.275 326 V C 0.586 176.896 176.094 0.360 0.000 1.022 326 V CA -0.135 62.274 62.300 0.182 0.000 0.830 326 V CB 1.136 32.893 31.823 -0.109 0.000 1.012 326 V HN 1.000 nan 8.190 nan 0.000 0.452 327 T N 3.518 118.273 114.554 0.335 0.000 2.817 327 T HA 0.719 5.069 4.350 0.000 0.000 0.293 327 T C -0.630 174.318 174.700 0.413 0.000 0.964 327 T CA -0.404 61.900 62.100 0.340 0.000 1.085 327 T CB 0.765 69.759 68.868 0.210 0.000 0.921 327 T HN 0.488 nan 8.240 nan 0.000 0.502 328 F N 0.891 120.940 119.950 0.164 0.000 2.629 328 F HA 0.781 5.308 4.527 0.000 0.000 0.316 328 F C -0.051 175.740 175.800 -0.015 0.000 1.081 328 F CA -1.738 56.319 58.000 0.095 0.000 0.954 328 F CB 0.693 39.754 39.000 0.103 0.000 1.337 328 F HN 0.254 nan 8.300 nan 0.000 0.474 329 V N -0.413 119.417 119.914 -0.139 0.000 2.581 329 V HA 0.212 4.332 4.120 0.000 0.000 0.240 329 V C -0.181 175.882 176.094 -0.051 0.000 1.054 329 V CA 1.074 63.204 62.300 -0.283 0.000 1.076 329 V CB -0.249 31.249 31.823 -0.541 0.000 0.748 329 V HN 0.811 nan 8.190 nan 0.000 0.474 330 D N -0.826 119.653 120.400 0.131 0.000 2.596 330 D HA 0.443 5.083 4.640 0.000 0.000 0.262 330 D C -1.278 174.791 176.300 -0.385 0.000 1.210 330 D CA -0.230 53.804 54.000 0.057 0.000 0.873 330 D CB 2.566 43.477 40.800 0.185 0.000 1.408 330 D HN 0.400 nan 8.370 nan 0.000 0.441 331 N N -1.830 116.412 118.700 -0.764 0.000 3.344 331 N HA 0.078 4.818 4.740 0.000 0.000 0.296 331 N C 0.790 175.747 175.510 -0.921 0.000 1.571 331 N CA -0.455 51.841 53.050 -1.258 0.000 0.844 331 N CB 0.121 38.146 38.487 -0.770 0.000 1.718 331 N HN 0.368 nan 8.380 nan 0.000 0.589 332 H N -1.654 117.096 119.070 -0.533 0.000 2.518 332 H HA 0.069 4.625 4.556 0.000 0.000 0.289 332 H C -0.416 174.801 175.328 -0.186 0.000 1.051 332 H CA 1.207 57.202 56.048 -0.089 0.000 1.280 332 H CB -0.159 29.697 29.762 0.156 0.000 1.380 332 H HN 0.516 nan 8.280 nan 0.000 0.566 333 D N 0.709 120.637 120.400 -0.787 0.000 2.277 333 D HA -0.061 4.579 4.640 0.000 0.000 0.209 333 D C 2.162 178.125 176.300 -0.562 0.000 0.970 333 D CA 1.360 54.904 54.000 -0.762 0.000 0.874 333 D CB 0.125 40.267 40.800 -1.096 0.000 0.982 333 D HN 0.534 nan 8.370 nan 0.000 0.504 334 S N 0.270 115.696 115.700 -0.456 0.000 2.528 334 S HA -0.056 4.414 4.470 0.000 0.000 0.219 334 S C 1.070 175.648 174.600 -0.037 0.000 0.985 334 S CA -0.323 57.759 58.200 -0.197 0.000 0.914 334 S CB -0.273 62.855 63.200 -0.120 0.000 0.776 334 S HN 0.304 nan 8.310 nan 0.000 0.526 335 Q N 1.329 121.061 119.800 -0.113 0.000 2.492 335 Q HA 0.345 4.686 4.340 0.000 0.000 0.238 335 Q C -2.764 173.010 176.000 -0.376 0.000 1.045 335 Q CA -1.895 53.720 55.803 -0.313 0.000 0.934 335 Q CB -0.883 27.780 28.738 -0.124 0.000 1.276 335 Q HN 0.068 nan 8.270 nan 0.000 0.521 336 P HA -0.179 nan 4.420 nan 0.000 0.263 336 P C -0.464 176.691 177.300 -0.240 0.000 1.175 336 P CA 0.959 63.864 63.100 -0.324 0.000 0.761 336 P CB 0.339 31.845 31.700 -0.323 0.000 0.794 337 E N -1.283 118.859 120.200 -0.095 0.000 4.289 337 E HA -0.212 4.138 4.350 0.000 0.000 0.351 337 E C 0.138 176.678 176.600 -0.101 0.000 0.606 337 E CA 1.042 57.426 56.400 -0.027 0.000 1.464 337 E CB -0.752 29.008 29.700 0.100 0.000 1.831 337 E HN 0.564 nan 8.360 nan 0.000 0.400 338 E N -0.233 119.842 120.200 -0.209 0.000 2.392 338 E HA 0.259 4.609 4.350 0.000 0.000 0.256 338 E C 1.147 177.562 176.600 -0.308 0.000 1.145 338 E CA 0.765 56.938 56.400 -0.378 0.000 0.929 338 E CB 0.368 29.761 29.700 -0.511 0.000 0.998 338 E HN 0.299 nan 8.360 nan 0.000 0.442 339 A N 2.007 124.605 122.820 -0.370 0.000 1.903 339 A HA -0.187 4.133 4.320 0.000 0.000 0.219 339 A C 1.654 179.106 177.584 -0.220 0.000 1.191 339 A CA 1.540 53.414 52.037 -0.273 0.000 0.638 339 A CB -0.396 18.420 19.000 -0.306 0.000 0.823 339 A HN 0.486 nan 8.150 nan 0.000 0.451 340 L N 0.033 121.076 121.223 -0.301 0.000 2.978 340 L HA 0.188 4.528 4.340 0.000 0.000 0.239 340 L C 0.409 177.193 176.870 -0.145 0.000 1.293 340 L CA -0.432 54.284 54.840 -0.207 0.000 1.085 340 L CB -0.075 41.733 42.059 -0.419 0.000 1.432 340 L HN 0.411 nan 8.230 nan 0.000 0.512 341 E N 2.000 122.116 120.200 -0.141 0.000 2.585 341 E HA -0.036 4.315 4.350 0.000 0.000 0.252 341 E C -0.125 176.396 176.600 -0.132 0.000 0.981 341 E CA 0.394 56.727 56.400 -0.112 0.000 0.943 341 E CB 0.432 30.087 29.700 -0.075 0.000 0.923 341 E HN 0.364 nan 8.360 nan 0.000 0.486 342 S N 4.505 120.078 115.700 -0.212 0.000 2.751 342 S HA 0.128 4.598 4.470 0.000 0.000 0.148 342 S C -0.671 173.698 174.600 -0.385 0.000 1.057 342 S CA -0.743 56.940 58.200 -0.863 0.000 1.103 342 S CB -0.703 61.990 63.200 -0.844 0.000 1.709 342 S HN 0.425 nan 8.310 nan 0.000 0.484 343 F N 2.347 122.227 119.950 -0.117 0.000 2.472 343 F HA 0.423 4.950 4.527 0.000 0.000 0.364 343 F C 0.531 176.480 175.800 0.249 0.000 1.090 343 F CA -0.640 57.425 58.000 0.107 0.000 1.188 343 F CB 0.820 39.893 39.000 0.122 0.000 1.105 343 F HN 0.249 nan 8.300 nan 0.000 0.536 344 V N 6.637 126.463 119.914 -0.147 0.000 2.450 344 V HA -0.069 4.051 4.120 0.000 0.000 0.281 344 V C 0.380 176.324 176.094 -0.250 0.000 1.019 344 V CA -0.228 61.966 62.300 -0.176 0.000 1.062 344 V CB 0.038 31.727 31.823 -0.224 0.000 0.979 344 V HN 0.682 nan 8.190 nan 0.000 0.477 345 E N 3.563 123.688 120.200 -0.125 0.000 2.467 345 E HA -0.095 4.255 4.350 0.000 0.000 0.264 345 E C 1.114 177.659 176.600 -0.093 0.000 1.020 345 E CA 0.154 56.538 56.400 -0.028 0.000 0.945 345 E CB 0.830 30.591 29.700 0.102 0.000 0.942 345 E HN 0.777 nan 8.360 nan 0.000 0.449 346 E N 4.067 124.313 120.200 0.077 0.000 2.049 346 E HA -0.222 4.128 4.350 0.000 0.000 0.198 346 E C 1.854 178.509 176.600 0.092 0.000 1.007 346 E CA 1.956 58.411 56.400 0.092 0.000 0.809 346 E CB -0.143 29.659 29.700 0.170 0.000 0.749 346 E HN 0.798 nan 8.360 nan 0.000 0.450 347 W N -0.029 121.324 121.300 0.088 0.000 2.342 347 W HA -0.222 4.438 4.660 0.000 0.000 0.297 347 W C 1.734 178.318 176.519 0.108 0.000 1.213 347 W CA 0.512 57.907 57.345 0.084 0.000 1.251 347 W CB -1.235 28.276 29.460 0.086 0.000 1.136 347 W HN 0.115 nan 8.180 nan 0.000 0.526 348 F N 2.396 121.702 119.950 -1.074 0.000 2.569 348 F HA 0.087 4.614 4.527 0.000 0.000 0.295 348 F C 2.657 178.172 175.800 -0.475 0.000 1.115 348 F CA 1.543 58.919 58.000 -1.040 0.000 1.450 348 F CB -0.373 37.722 39.000 -1.509 0.000 1.107 348 F HN -0.232 nan 8.300 nan 0.000 0.563 349 K N 1.313 121.597 120.400 -0.193 0.000 2.059 349 K HA -0.192 4.129 4.320 0.000 0.000 0.212 349 K C -0.875 175.715 176.600 -0.016 0.000 1.050 349 K CA 2.185 58.428 56.287 -0.073 0.000 0.927 349 K CB -1.238 31.266 32.500 0.007 0.000 0.714 349 K HN 0.183 nan 8.250 nan 0.000 0.447 350 P HA -0.128 nan 4.420 nan 0.000 0.219 350 P C 1.104 178.338 177.300 -0.111 0.000 1.150 350 P CA 1.024 64.123 63.100 -0.002 0.000 0.814 350 P CB 0.074 31.756 31.700 -0.029 0.000 0.787 351 L N 0.355 121.367 121.223 -0.352 0.000 2.056 351 L HA -0.077 4.263 4.340 0.000 0.000 0.207 351 L C 2.859 179.473 176.870 -0.426 0.000 1.078 351 L CA 2.019 56.566 54.840 -0.487 0.000 0.749 351 L CB -1.817 39.656 42.059 -0.975 0.000 0.901 351 L HN -0.064 nan 8.230 nan 0.000 0.433 352 A N -1.764 120.744 122.820 -0.520 0.000 1.933 352 A HA -0.229 4.091 4.320 0.000 0.000 0.218 352 A C 2.144 179.594 177.584 -0.224 0.000 1.175 352 A CA 1.431 53.283 52.037 -0.308 0.000 0.628 352 A CB -0.855 18.004 19.000 -0.235 0.000 0.814 352 A HN 0.417 nan 8.150 nan 0.000 0.444 353 Y N -0.430 119.833 120.300 -0.061 0.000 2.439 353 Y HA 0.090 4.640 4.550 0.000 0.000 0.292 353 Y C 2.692 178.625 175.900 0.055 0.000 1.130 353 Y CA 0.484 58.592 58.100 0.014 0.000 1.254 353 Y CB -0.205 38.263 38.460 0.013 0.000 1.000 353 Y HN 0.343 nan 8.280 nan 0.000 0.554 354 A N -0.618 122.302 122.820 0.166 0.000 1.930 354 A HA -0.046 4.274 4.320 0.000 0.000 0.215 354 A C 2.100 179.920 177.584 0.393 0.000 1.176 354 A CA 0.851 53.023 52.037 0.224 0.000 0.632 354 A CB -0.830 18.244 19.000 0.122 0.000 0.819 354 A HN 0.426 nan 8.150 nan 0.000 0.445 355 L N 0.114 121.519 121.223 0.303 0.000 2.131 355 L HA -0.154 4.186 4.340 0.000 0.000 0.210 355 L C 2.840 179.811 176.870 0.168 0.000 1.092 355 L CA 1.828 56.826 54.840 0.262 0.000 0.759 355 L CB -0.348 41.758 42.059 0.078 0.000 0.903 355 L HN 0.675 nan 8.230 nan 0.000 0.435 356 T N -4.212 110.422 114.554 0.132 0.000 3.039 356 T HA 0.078 4.429 4.350 0.000 0.000 0.250 356 T C 1.722 176.508 174.700 0.143 0.000 1.052 356 T CA 0.127 62.301 62.100 0.123 0.000 1.125 356 T CB -0.137 68.779 68.868 0.082 0.000 0.908 356 T HN 0.152 nan 8.240 nan 0.000 0.473 357 L N 1.852 123.184 121.223 0.181 0.000 2.249 357 L HA 0.143 4.483 4.340 0.000 0.000 0.207 357 L C 2.819 179.769 176.870 0.133 0.000 1.090 357 L CA 1.408 56.348 54.840 0.166 0.000 0.802 357 L CB -0.438 41.738 42.059 0.194 0.000 0.947 357 L HN 0.479 nan 8.230 nan 0.000 0.453 358 T N -3.405 111.278 114.554 0.214 0.000 3.086 358 T HA 0.169 4.520 4.350 0.000 0.000 0.250 358 T C 0.894 175.759 174.700 0.276 0.000 1.074 358 T CA -0.331 61.925 62.100 0.261 0.000 0.988 358 T CB 0.112 69.209 68.868 0.381 0.000 0.988 358 T HN 0.085 nan 8.240 nan 0.000 0.530 359 R N 1.397 121.937 120.500 0.068 0.000 2.536 359 R HA 0.369 4.709 4.340 0.000 0.000 0.279 359 R C 1.424 177.657 176.300 -0.110 0.000 1.001 359 R CA -0.347 55.650 56.100 -0.172 0.000 1.027 359 R CB 1.007 31.020 30.300 -0.478 0.000 1.096 359 R HN 0.501 nan 8.270 nan 0.000 0.502 360 E N 0.876 121.003 120.200 -0.122 0.000 2.358 360 E HA -0.104 4.246 4.350 0.000 0.000 0.195 360 E C -0.471 176.082 176.600 -0.079 0.000 1.010 360 E CA 0.617 56.965 56.400 -0.086 0.000 0.856 360 E CB 0.307 29.974 29.700 -0.056 0.000 0.795 360 E HN 0.414 nan 8.360 nan 0.000 0.504 361 Q N 0.681 120.410 119.800 -0.117 0.000 2.227 361 Q HA 0.548 4.888 4.340 0.000 0.000 0.245 361 Q C 0.144 176.128 176.000 -0.027 0.000 0.926 361 Q CA 0.111 55.864 55.803 -0.083 0.000 0.895 361 Q CB 1.715 30.370 28.738 -0.138 0.000 1.230 361 Q HN 0.314 nan 8.270 nan 0.000 0.450 362 G N 0.256 109.079 108.800 0.038 0.000 2.755 362 G HA2 -0.219 3.741 3.960 0.000 0.000 0.686 362 G HA3 -0.219 3.741 3.960 0.000 0.000 0.686 362 G C -1.766 173.250 174.900 0.194 0.000 1.427 362 G CA -0.788 44.386 45.100 0.123 0.000 0.873 362 G HN 0.509 nan 8.290 nan 0.000 0.580 363 Y N 3.958 124.311 120.300 0.088 0.000 2.491 363 Y HA 0.548 5.098 4.550 0.000 0.000 0.334 363 Y C -1.736 174.248 175.900 0.140 0.000 0.969 363 Y CA -2.943 55.204 58.100 0.079 0.000 1.241 363 Y CB 1.033 39.526 38.460 0.054 0.000 1.105 363 Y HN 0.551 nan 8.280 nan 0.000 0.503 364 P HA 0.100 nan 4.420 nan 0.000 0.272 364 P C -0.652 176.788 177.300 0.234 0.000 1.223 364 P CA 0.025 63.289 63.100 0.273 0.000 0.784 364 P CB 1.639 33.485 31.700 0.243 0.000 0.923 365 S N 1.095 116.969 115.700 0.290 0.000 2.536 365 S HA 0.476 4.946 4.470 0.000 0.000 0.287 365 S C -1.053 173.799 174.600 0.421 0.000 1.101 365 S CA -0.672 57.726 58.200 0.331 0.000 0.950 365 S CB 0.914 64.371 63.200 0.428 0.000 1.056 365 S HN 0.169 nan 8.310 nan 0.000 0.481 366 V N 5.110 125.241 119.914 0.362 0.000 2.398 366 V HA 0.499 4.619 4.120 0.000 0.000 0.286 366 V C -0.483 175.840 176.094 0.382 0.000 1.026 366 V CA -0.741 61.773 62.300 0.357 0.000 0.868 366 V CB 1.105 32.941 31.823 0.021 0.000 0.982 366 V HN 0.836 nan 8.190 nan 0.000 0.443 367 F N 4.943 125.070 119.950 0.295 0.000 2.420 367 F HA 0.305 4.832 4.527 0.000 0.000 0.352 367 F C 0.836 176.734 175.800 0.164 0.000 1.108 367 F CA -1.163 56.967 58.000 0.215 0.000 1.162 367 F CB 0.687 39.854 39.000 0.279 0.000 1.118 367 F HN 0.629 nan 8.300 nan 0.000 0.510 368 Y N 5.224 125.340 120.300 -0.307 0.000 2.102 368 Y HA -0.173 4.377 4.550 0.000 0.000 0.280 368 Y C 2.176 177.693 175.900 -0.638 0.000 1.178 368 Y CA 2.306 60.146 58.100 -0.432 0.000 1.146 368 Y CB -0.640 37.568 38.460 -0.420 0.000 0.968 368 Y HN 0.696 nan 8.280 nan 0.000 0.504 369 G N -0.350 107.677 108.800 -1.288 0.000 2.440 369 G HA2 -0.282 3.678 3.960 0.000 0.000 0.218 369 G HA3 -0.282 3.678 3.960 0.000 0.000 0.218 369 G C 1.335 176.110 174.900 -0.207 0.000 1.154 369 G CA 1.301 45.930 45.100 -0.785 0.000 0.767 369 G HN 0.457 nan 8.290 nan 0.000 0.552 370 D N -0.915 119.435 120.400 -0.082 0.000 2.162 370 D HA -0.049 4.592 4.640 0.000 0.000 0.203 370 D C 1.931 178.205 176.300 -0.043 0.000 0.967 370 D CA 0.486 54.562 54.000 0.127 0.000 0.840 370 D CB -0.277 40.709 40.800 0.309 0.000 0.972 370 D HN 0.430 nan 8.370 nan 0.000 0.482 371 Y N 0.005 120.113 120.300 -0.320 0.000 2.133 371 Y HA -0.267 4.283 4.550 0.000 0.000 0.287 371 Y C 1.528 177.075 175.900 -0.588 0.000 1.134 371 Y CA 1.522 59.306 58.100 -0.527 0.000 1.133 371 Y CB 0.032 38.059 38.460 -0.721 0.000 0.987 371 Y HN -0.098 nan 8.280 nan 0.000 0.502 372 Y N -0.013 120.103 120.300 -0.308 0.000 2.458 372 Y HA 0.382 4.933 4.550 0.000 0.000 0.256 372 Y C 0.977 176.767 175.900 -0.183 0.000 1.159 372 Y CA 0.093 57.986 58.100 -0.345 0.000 1.261 372 Y CB 0.330 38.463 38.460 -0.546 0.000 1.119 372 Y HN 0.187 nan 8.280 nan 0.000 0.524 373 G N 0.928 109.726 108.800 -0.004 0.000 2.746 373 G HA2 -0.192 3.768 3.960 0.000 0.000 0.685 373 G HA3 -0.192 3.768 3.960 0.000 0.000 0.685 373 G C -0.819 174.139 174.900 0.097 0.000 1.350 373 G CA -0.627 44.507 45.100 0.058 0.000 0.837 373 G HN 0.128 nan 8.290 nan 0.000 0.564 374 I N 2.622 123.259 120.570 0.111 0.000 2.668 374 I HA 0.223 4.393 4.170 0.000 0.000 0.276 374 I C -1.078 175.111 176.117 0.120 0.000 1.139 374 I CA -1.912 59.461 61.300 0.123 0.000 1.133 374 I CB 1.949 40.005 38.000 0.093 0.000 1.327 374 I HN 0.407 nan 8.210 nan 0.000 0.520 375 P HA -0.226 nan 4.420 nan 0.000 0.217 375 P C 1.512 178.840 177.300 0.047 0.000 1.148 375 P CA 1.774 64.914 63.100 0.067 0.000 0.828 375 P CB -0.148 31.584 31.700 0.053 0.000 0.783 376 T N -4.319 110.280 114.554 0.075 0.000 2.962 376 T HA -0.143 4.207 4.350 0.000 0.000 0.270 376 T C 1.109 175.685 174.700 -0.207 0.000 1.088 376 T CA 1.310 63.397 62.100 -0.023 0.000 1.127 376 T CB -1.020 67.869 68.868 0.034 0.000 0.883 376 T HN 0.240 nan 8.240 nan 0.000 0.493 377 H N -0.122 118.877 119.070 -0.119 0.000 2.785 377 H HA 0.512 5.068 4.556 0.000 0.000 0.268 377 H C 1.512 176.811 175.328 -0.048 0.000 1.153 377 H CA -0.522 55.452 56.048 -0.123 0.000 1.111 377 H CB 0.498 30.149 29.762 -0.185 0.000 1.633 377 H HN 0.453 nan 8.280 nan 0.000 0.576 378 G N 0.663 109.501 108.800 0.063 0.000 2.136 378 G HA2 -0.273 3.687 3.960 0.000 0.000 0.242 378 G HA3 -0.273 3.687 3.960 0.000 0.000 0.242 378 G C -0.141 174.820 174.900 0.102 0.000 0.989 378 G CA 0.323 45.462 45.100 0.065 0.000 0.682 378 G HN 0.239 nan 8.290 nan 0.000 0.522 379 V N 3.003 122.991 119.914 0.124 0.000 2.368 379 V HA 0.420 4.540 4.120 0.000 0.000 0.266 379 V C -0.919 175.250 176.094 0.124 0.000 1.045 379 V CA -1.272 61.130 62.300 0.169 0.000 0.899 379 V CB 1.284 33.244 31.823 0.229 0.000 1.006 379 V HN 0.298 nan 8.190 nan 0.000 0.470 380 P HA 0.257 nan 4.420 nan 0.000 0.274 380 P C -0.416 176.905 177.300 0.035 0.000 1.231 380 P CA -0.296 62.839 63.100 0.059 0.000 0.790 380 P CB 1.120 32.850 31.700 0.050 0.000 0.951 381 A N 3.271 126.087 122.820 -0.008 0.000 2.488 381 A HA 0.227 4.547 4.320 0.000 0.000 0.249 381 A C 0.970 178.481 177.584 -0.121 0.000 1.083 381 A CA 0.005 51.994 52.037 -0.080 0.000 0.768 381 A CB -0.609 18.338 19.000 -0.088 0.000 1.017 381 A HN 0.559 nan 8.150 nan 0.000 0.496 382 M N 2.571 122.069 119.600 -0.171 0.000 2.576 382 M HA 0.080 4.560 4.480 0.000 0.000 0.322 382 M C 1.767 177.904 176.300 -0.272 0.000 1.184 382 M CA -0.046 55.159 55.300 -0.158 0.000 0.967 382 M CB 0.168 32.724 32.600 -0.074 0.000 1.372 382 M HN 0.937 nan 8.290 nan 0.000 0.509 383 R N 0.068 120.269 120.500 -0.498 0.000 2.120 383 R HA -0.083 4.257 4.340 0.000 0.000 0.234 383 R C 1.935 178.032 176.300 -0.339 0.000 1.123 383 R CA 1.922 57.587 56.100 -0.725 0.000 0.975 383 R CB -0.956 28.443 30.300 -1.501 0.000 0.866 383 R HN 0.353 nan 8.270 nan 0.000 0.446 384 S N 1.041 116.596 115.700 -0.242 0.000 2.419 384 S HA -0.091 4.379 4.470 0.000 0.000 0.233 384 S C 1.647 176.184 174.600 -0.106 0.000 1.016 384 S CA 1.066 59.182 58.200 -0.140 0.000 0.974 384 S CB -0.027 63.110 63.200 -0.104 0.000 0.786 384 S HN 0.456 nan 8.310 nan 0.000 0.492 385 K N 0.160 120.493 120.400 -0.111 0.000 2.352 385 K HA 0.397 4.717 4.320 0.000 0.000 0.194 385 K C 1.668 178.217 176.600 -0.086 0.000 1.038 385 K CA 0.324 56.562 56.287 -0.083 0.000 1.023 385 K CB 0.018 32.480 32.500 -0.062 0.000 0.840 385 K HN 0.387 nan 8.250 nan 0.000 0.519 386 I N 1.007 121.506 120.570 -0.119 0.000 2.703 386 I HA -0.149 4.021 4.170 0.000 0.000 0.259 386 I C 1.307 177.402 176.117 -0.037 0.000 1.151 386 I CA 0.700 61.925 61.300 -0.124 0.000 1.470 386 I CB 0.004 37.872 38.000 -0.220 0.000 1.112 386 I HN 0.045 nan 8.210 nan 0.000 0.437 387 D N 1.494 121.890 120.400 -0.006 0.000 2.123 387 D HA -0.144 4.496 4.640 0.000 0.000 0.196 387 D C -0.500 175.805 176.300 0.008 0.000 0.992 387 D CA 1.585 55.603 54.000 0.029 0.000 0.833 387 D CB -1.489 39.322 40.800 0.018 0.000 0.954 387 D HN 0.238 nan 8.370 nan 0.000 0.455 388 P HA -0.040 nan 4.420 nan 0.000 0.217 388 P C 1.624 178.921 177.300 -0.006 0.000 1.150 388 P CA 0.781 63.869 63.100 -0.020 0.000 0.832 388 P CB 0.036 31.704 31.700 -0.054 0.000 0.787 389 I N -1.738 118.830 120.570 -0.004 0.000 2.439 389 I HA -0.166 4.004 4.170 0.000 0.000 0.251 389 I C 2.156 178.299 176.117 0.043 0.000 1.139 389 I CA 1.074 62.389 61.300 0.024 0.000 1.438 389 I CB -0.536 37.491 38.000 0.046 0.000 1.085 389 I HN -0.066 nan 8.210 nan 0.000 0.427 390 L N 0.510 121.752 121.223 0.032 0.000 2.072 390 L HA -0.184 4.156 4.340 0.000 0.000 0.205 390 L C 2.626 179.516 176.870 0.035 0.000 1.079 390 L CA 1.362 56.221 54.840 0.032 0.000 0.752 390 L CB -0.485 41.585 42.059 0.018 0.000 0.906 390 L HN 0.289 nan 8.230 nan 0.000 0.436 391 E N 0.434 120.660 120.200 0.043 0.000 2.110 391 E HA -0.231 4.119 4.350 0.000 0.000 0.193 391 E C 2.188 178.850 176.600 0.104 0.000 0.988 391 E CA 1.104 57.538 56.400 0.056 0.000 0.804 391 E CB 0.055 29.796 29.700 0.069 0.000 0.745 391 E HN 0.449 nan 8.360 nan 0.000 0.458 392 A N 1.413 124.314 122.820 0.135 0.000 1.933 392 A HA -0.195 4.125 4.320 0.000 0.000 0.218 392 A C 2.182 179.824 177.584 0.097 0.000 1.175 392 A CA 1.552 53.718 52.037 0.215 0.000 0.628 392 A CB -0.509 18.543 19.000 0.088 0.000 0.814 392 A HN 0.230 nan 8.150 nan 0.000 0.444 393 R N -0.724 119.788 120.500 0.021 0.000 2.062 393 R HA -0.128 4.212 4.340 0.000 0.000 0.229 393 R C 2.404 178.616 176.300 -0.147 0.000 1.128 393 R CA 1.614 57.667 56.100 -0.079 0.000 0.960 393 R CB -0.337 29.950 30.300 -0.023 0.000 0.855 393 R HN 0.674 nan 8.270 nan 0.000 0.432 394 Q N 0.148 119.929 119.800 -0.031 0.000 2.119 394 Q HA -0.158 4.182 4.340 0.000 0.000 0.201 394 Q C 1.221 177.281 176.000 0.100 0.000 0.972 394 Q CA 1.751 57.574 55.803 0.033 0.000 0.847 394 Q CB 0.269 29.021 28.738 0.024 0.000 0.903 394 Q HN 0.316 nan 8.270 nan 0.000 0.433 395 K N -1.892 118.475 120.400 -0.054 0.000 2.350 395 K HA 0.047 4.367 4.320 0.000 0.000 0.196 395 K C 1.166 177.563 176.600 -0.339 0.000 1.084 395 K CA 0.342 56.472 56.287 -0.263 0.000 0.967 395 K CB 0.491 32.562 32.500 -0.715 0.000 0.950 395 K HN 0.146 nan 8.250 nan 0.000 0.512 396 Y N 0.306 120.647 120.300 0.069 0.000 2.558 396 Y HA 0.326 4.876 4.550 0.000 0.000 0.273 396 Y C 1.075 176.940 175.900 -0.058 0.000 1.100 396 Y CA -0.592 57.518 58.100 0.018 0.000 1.276 396 Y CB 0.288 38.697 38.460 -0.085 0.000 1.196 396 Y HN -0.145 nan 8.280 nan 0.000 0.527 397 A N 0.873 123.593 122.820 -0.166 0.000 3.030 397 A HA 0.322 4.642 4.320 0.000 0.000 0.273 397 A C -1.243 175.927 177.584 -0.689 0.000 1.841 397 A CA 0.449 52.299 52.037 -0.312 0.000 1.479 397 A CB -1.900 16.940 19.000 -0.267 0.000 1.048 397 A HN 0.358 nan 8.150 nan 0.000 0.612 398 Y N -0.392 119.897 120.300 -0.019 0.000 2.615 398 Y HA 0.625 5.175 4.550 0.000 0.000 0.341 398 Y C 0.760 176.677 175.900 0.028 0.000 1.089 398 Y CA -0.254 57.816 58.100 -0.050 0.000 1.049 398 Y CB 1.405 39.769 38.460 -0.160 0.000 1.296 398 Y HN 1.072 nan 8.280 nan 0.000 0.470 399 G N 1.302 110.232 108.800 0.216 0.000 2.796 399 G HA2 -0.221 3.740 3.960 0.000 0.000 0.571 399 G HA3 -0.221 3.740 3.960 0.000 0.000 0.571 399 G C -0.705 174.264 174.900 0.115 0.000 1.370 399 G CA -0.515 44.677 45.100 0.153 0.000 0.856 399 G HN 0.813 nan 8.290 nan 0.000 0.538 400 K N 0.077 120.540 120.400 0.106 0.000 2.527 400 K HA 0.247 4.567 4.320 0.000 0.000 0.278 400 K C 0.491 177.156 176.600 0.109 0.000 0.981 400 K CA 0.731 57.075 56.287 0.095 0.000 1.009 400 K CB 0.293 32.853 32.500 0.101 0.000 0.895 400 K HN 0.731 nan 8.250 nan 0.000 0.493 401 Q N 3.200 123.053 119.800 0.088 0.000 2.282 401 Q HA 0.225 4.565 4.340 0.000 0.000 0.260 401 Q C -1.436 174.629 176.000 0.109 0.000 0.964 401 Q CA -0.637 55.232 55.803 0.111 0.000 0.880 401 Q CB 1.194 29.965 28.738 0.055 0.000 1.286 401 Q HN 0.694 nan 8.270 nan 0.000 0.445 402 N N 3.128 121.933 118.700 0.174 0.000 2.483 402 N HA 0.250 4.991 4.740 0.000 0.000 0.267 402 N C -1.719 173.858 175.510 0.113 0.000 0.998 402 N CA -0.734 52.386 53.050 0.117 0.000 0.918 402 N CB 1.279 39.902 38.487 0.227 0.000 1.215 402 N HN 0.494 nan 8.380 nan 0.000 0.500 403 D N 0.919 121.289 120.400 -0.049 0.000 2.313 403 D HA 0.168 4.808 4.640 0.000 0.000 0.247 403 D C -0.477 175.667 176.300 -0.260 0.000 1.094 403 D CA 0.396 54.415 54.000 0.032 0.000 0.925 403 D CB 0.945 41.759 40.800 0.023 0.000 1.188 403 D HN 0.500 nan 8.370 nan 0.000 0.430 404 Y N 0.636 121.109 120.300 0.287 0.000 2.712 404 Y HA 0.197 4.747 4.550 0.001 0.000 0.287 404 Y C -0.295 175.765 175.900 0.266 0.000 0.944 404 Y CA -0.449 57.805 58.100 0.256 0.000 1.122 404 Y CB 0.411 39.020 38.460 0.248 0.000 1.182 404 Y HN 0.055 nan 8.280 nan 0.000 0.632 405 L N 2.390 123.808 121.223 0.324 0.000 2.648 405 L HA 0.220 4.560 4.340 0.000 0.000 0.238 405 L C 0.325 177.339 176.870 0.240 0.000 1.316 405 L CA -0.060 54.962 54.840 0.302 0.000 1.241 405 L CB -0.576 41.649 42.059 0.278 0.000 1.499 405 L HN 0.346 nan 8.230 nan 0.000 0.411 406 D N -2.214 118.348 120.400 0.270 0.000 2.538 406 D HA 0.116 4.756 4.640 0.000 0.000 0.231 406 D C 0.275 176.736 176.300 0.268 0.000 1.229 406 D CA -0.116 54.026 54.000 0.238 0.000 0.828 406 D CB 0.034 40.982 40.800 0.246 0.000 1.035 406 D HN 0.269 nan 8.370 nan 0.000 0.495 407 H N -0.012 119.138 119.070 0.132 0.000 3.038 407 H HA 0.109 4.666 4.556 0.000 0.000 0.362 407 H C 0.383 175.740 175.328 0.048 0.000 1.167 407 H CA -0.425 55.661 56.048 0.063 0.000 1.197 407 H CB 1.465 31.230 29.762 0.005 0.000 1.840 407 H HN 0.073 nan 8.280 nan 0.000 0.540 408 H N 2.670 121.480 119.070 -0.433 0.000 2.518 408 H HA -0.006 4.550 4.556 0.000 0.000 0.289 408 H C 0.164 175.480 175.328 -0.019 0.000 1.051 408 H CA 1.651 57.575 56.048 -0.206 0.000 1.280 408 H CB 0.337 29.958 29.762 -0.234 0.000 1.380 408 H HN 0.369 nan 8.280 nan 0.000 0.566 409 N N 0.270 118.869 118.700 -0.167 0.000 2.782 409 N HA 0.171 4.911 4.740 0.000 0.000 0.244 409 N C 0.095 175.766 175.510 0.269 0.000 1.029 409 N CA 0.165 53.315 53.050 0.167 0.000 0.999 409 N CB 0.905 39.489 38.487 0.162 0.000 1.634 409 N HN 0.213 nan 8.380 nan 0.000 0.478 410 I N 3.952 124.747 120.570 0.374 0.000 2.291 410 I HA 0.285 4.455 4.170 0.000 0.000 0.292 410 I C 0.065 176.303 176.117 0.203 0.000 1.064 410 I CA -0.345 61.057 61.300 0.170 0.000 1.269 410 I CB 0.194 38.169 38.000 -0.041 0.000 1.418 410 I HN 0.110 nan 8.210 nan 0.000 0.485 411 I N 2.700 123.394 120.570 0.206 0.000 2.957 411 I HA 1.059 5.229 4.170 0.000 0.000 0.310 411 I C -0.002 176.243 176.117 0.213 0.000 1.063 411 I CA -0.616 60.846 61.300 0.271 0.000 1.033 411 I CB 2.345 40.553 38.000 0.346 0.000 1.230 411 I HN 0.532 nan 8.210 nan 0.000 0.447 412 G N 1.932 110.924 108.800 0.320 0.000 2.559 412 G HA2 0.643 4.603 3.960 0.000 0.000 0.291 412 G HA3 0.643 4.603 3.960 0.000 0.000 0.291 412 G C -2.582 172.603 174.900 0.475 0.000 1.424 412 G CA -0.630 44.542 45.100 0.120 0.000 0.786 412 G HN 1.183 nan 8.290 nan 0.000 0.485 413 W N -0.594 120.841 121.300 0.225 0.000 3.464 413 W HA 0.689 5.350 4.660 0.001 0.000 0.292 413 W C -0.452 176.158 176.519 0.152 0.000 1.262 413 W CA -0.735 56.771 57.345 0.268 0.000 1.202 413 W CB 0.583 30.150 29.460 0.177 0.000 1.334 413 W HN 0.913 nan 8.180 nan 0.000 0.561 414 T N 0.195 114.972 114.554 0.372 0.000 2.942 414 T HA 0.812 5.162 4.350 0.000 0.000 0.289 414 T C -0.740 174.114 174.700 0.257 0.000 1.044 414 T CA -1.111 61.108 62.100 0.198 0.000 1.023 414 T CB 2.022 70.957 68.868 0.113 0.000 1.123 414 T HN 0.610 nan 8.240 nan 0.000 0.512 415 R N 1.265 121.888 120.500 0.204 0.000 2.513 415 R HA 0.361 4.701 4.340 0.000 0.000 0.301 415 R C 0.399 176.803 176.300 0.173 0.000 0.968 415 R CA -0.563 55.647 56.100 0.184 0.000 0.872 415 R CB 1.551 31.950 30.300 0.165 0.000 1.177 415 R HN 0.883 nan 8.270 nan 0.000 0.444 416 E N 1.166 121.451 120.200 0.142 0.000 2.427 416 E HA 0.070 4.420 4.350 0.000 0.000 0.196 416 E C 0.536 177.222 176.600 0.144 0.000 1.028 416 E CA 0.591 57.060 56.400 0.116 0.000 0.864 416 E CB 0.207 29.960 29.700 0.088 0.000 0.813 416 E HN 0.921 nan 8.360 nan 0.000 0.514 417 G N 2.064 110.964 108.800 0.167 0.000 2.787 417 G HA2 -0.213 3.747 3.960 0.000 0.000 0.685 417 G HA3 -0.213 3.747 3.960 0.000 0.000 0.685 417 G C -0.715 174.278 174.900 0.155 0.000 1.437 417 G CA -0.241 44.971 45.100 0.186 0.000 0.872 417 G HN 0.335 nan 8.290 nan 0.000 0.566 418 N N -2.416 116.376 118.700 0.153 0.000 2.455 418 N HA 0.677 5.417 4.740 0.000 0.000 0.278 418 N C 1.050 176.601 175.510 0.069 0.000 1.291 418 N CA 0.307 53.423 53.050 0.109 0.000 0.780 418 N CB 1.009 39.568 38.487 0.120 0.000 1.520 418 N HN 1.077 nan 8.380 nan 0.000 0.486 419 T N -3.375 111.197 114.554 0.030 0.000 2.881 419 T HA -0.076 4.274 4.350 0.000 0.000 0.270 419 T C 1.680 176.334 174.700 -0.076 0.000 1.068 419 T CA 1.037 63.132 62.100 -0.010 0.000 1.131 419 T CB -0.691 68.170 68.868 -0.012 0.000 0.871 419 T HN 0.687 nan 8.240 nan 0.000 0.479 420 A N 1.103 123.858 122.820 -0.108 0.000 2.125 420 A HA 0.014 4.334 4.320 0.000 0.000 0.219 420 A C 0.536 177.741 177.584 -0.631 0.000 1.156 420 A CA 0.768 52.621 52.037 -0.307 0.000 0.671 420 A CB -0.610 18.219 19.000 -0.284 0.000 0.794 420 A HN 0.781 nan 8.150 nan 0.000 0.459 421 H N -1.364 117.566 119.070 -0.234 0.000 2.906 421 H HA 0.397 4.953 4.556 0.000 0.000 0.324 421 H C -2.910 172.329 175.328 -0.149 0.000 0.973 421 H CA -2.103 53.778 56.048 -0.278 0.000 1.321 421 H CB 0.779 30.217 29.762 -0.540 0.000 1.535 421 H HN -0.002 nan 8.280 nan 0.000 0.518 422 P HA -0.116 nan 4.420 nan 0.000 0.260 422 P C 0.258 177.559 177.300 0.001 0.000 1.185 422 P CA 0.724 63.808 63.100 -0.028 0.000 0.763 422 P CB 0.177 31.847 31.700 -0.049 0.000 0.776 423 N N 0.645 119.369 118.700 0.041 0.000 2.741 423 N HA -0.179 4.562 4.740 0.000 0.000 0.250 423 N C -0.507 175.086 175.510 0.138 0.000 1.115 423 N CA 1.026 54.126 53.050 0.083 0.000 0.724 423 N CB -1.225 37.312 38.487 0.083 0.000 1.090 423 N HN 0.433 nan 8.380 nan 0.000 0.558 424 S N -0.891 114.888 115.700 0.132 0.000 2.600 424 S HA 0.670 5.140 4.470 0.000 0.000 0.265 424 S C 0.815 175.546 174.600 0.218 0.000 1.325 424 S CA 0.134 58.461 58.200 0.212 0.000 1.002 424 S CB 1.829 65.171 63.200 0.237 0.000 0.921 424 S HN 1.216 nan 8.310 nan 0.000 0.554 425 G N -0.013 108.927 108.800 0.233 0.000 2.535 425 G HA2 0.446 4.406 3.960 0.000 0.000 0.662 425 G HA3 0.446 4.406 3.960 0.000 0.000 0.662 425 G C -1.409 173.488 174.900 -0.004 0.000 1.417 425 G CA -0.505 44.695 45.100 0.167 0.000 0.866 425 G HN 1.768 nan 8.290 nan 0.000 0.647 426 L N -1.208 120.077 121.223 0.104 0.000 2.765 426 L HA 1.085 5.425 4.340 0.000 0.000 0.263 426 L C -0.206 176.765 176.870 0.168 0.000 1.068 426 L CA -0.835 54.016 54.840 0.019 0.000 0.903 426 L CB 1.499 43.527 42.059 -0.050 0.000 1.512 426 L HN 2.319 nan 8.230 nan 0.000 0.404 427 A N 0.159 122.995 122.820 0.026 0.000 2.569 427 A HA 0.749 5.069 4.320 0.000 0.000 0.282 427 A C -0.578 176.781 177.584 -0.376 0.000 1.165 427 A CA -0.306 51.527 52.037 -0.340 0.000 0.747 427 A CB 0.793 19.121 19.000 -1.119 0.000 1.215 427 A HN 0.697 nan 8.150 nan 0.000 0.431 428 T N 3.008 117.226 114.554 -0.560 0.000 2.767 428 T HA 0.578 4.928 4.350 0.000 0.000 0.288 428 T C -0.296 173.979 174.700 -0.708 0.000 0.963 428 T CA 0.128 61.798 62.100 -0.717 0.000 1.019 428 T CB 0.533 68.681 68.868 -1.199 0.000 0.923 428 T HN 0.622 nan 8.240 nan 0.000 0.468 429 I N 5.330 125.669 120.570 -0.385 0.000 2.569 429 I HA 0.667 4.837 4.170 0.000 0.000 0.290 429 I C -1.116 174.915 176.117 -0.143 0.000 1.088 429 I CA -1.278 59.895 61.300 -0.210 0.000 1.047 429 I CB 1.334 39.323 38.000 -0.017 0.000 1.237 429 I HN 0.756 nan 8.210 nan 0.000 0.421 430 M N 4.909 124.457 119.600 -0.087 0.000 2.575 430 M HA 0.639 5.119 4.480 0.000 0.000 0.284 430 M C -1.557 174.775 176.300 0.053 0.000 1.253 430 M CA -0.636 54.645 55.300 -0.033 0.000 0.861 430 M CB 2.173 34.732 32.600 -0.068 0.000 1.733 430 M HN 0.389 nan 8.290 nan 0.000 0.462 431 S N 0.372 116.121 115.700 0.083 0.000 2.619 431 S HA 0.308 4.778 4.470 0.000 0.000 0.280 431 S C -0.482 174.262 174.600 0.239 0.000 1.150 431 S CA -0.520 57.771 58.200 0.151 0.000 0.978 431 S CB 1.287 64.559 63.200 0.120 0.000 1.041 431 S HN 0.903 nan 8.310 nan 0.000 0.485 432 D N 3.306 123.905 120.400 0.332 0.000 2.340 432 D HA 0.198 4.838 4.640 0.000 0.000 0.220 432 D C 0.843 177.399 176.300 0.427 0.000 1.039 432 D CA 0.182 54.513 54.000 0.552 0.000 0.866 432 D CB 0.188 41.349 40.800 0.602 0.000 0.913 432 D HN 0.542 nan 8.370 nan 0.000 0.523 433 G N 0.016 108.976 108.800 0.266 0.000 3.253 433 G HA2 0.539 4.499 3.960 0.000 0.000 0.175 433 G HA3 0.539 4.499 3.960 0.000 0.000 0.175 433 G C -0.725 174.246 174.900 0.118 0.000 1.098 433 G CA -0.142 45.058 45.100 0.167 0.000 0.790 433 G HN 0.299 nan 8.290 nan 0.000 0.648 434 A N -0.436 122.444 122.820 0.100 0.000 2.483 434 A HA 0.571 4.891 4.320 0.000 0.000 0.238 434 A C 1.075 178.695 177.584 0.061 0.000 1.070 434 A CA 0.673 52.751 52.037 0.069 0.000 0.770 434 A CB -0.297 18.742 19.000 0.066 0.000 1.008 434 A HN 1.479 nan 8.150 nan 0.000 0.497 435 G N -0.516 108.309 108.800 0.042 0.000 2.653 435 G HA2 0.597 4.557 3.960 0.000 0.000 0.265 435 G HA3 0.597 4.557 3.960 0.000 0.000 0.265 435 G C 0.400 175.303 174.900 0.004 0.000 1.237 435 G CA 0.265 45.385 45.100 0.032 0.000 0.946 435 G HN 1.877 nan 8.290 nan 0.000 0.522 436 G N -1.602 107.193 108.800 -0.008 0.000 2.360 436 G HA2 0.625 4.585 3.960 0.000 0.000 0.276 436 G HA3 0.625 4.585 3.960 0.000 0.000 0.276 436 G C -0.619 174.245 174.900 -0.060 0.000 1.256 436 G CA 0.568 45.639 45.100 -0.048 0.000 0.890 436 G HN 1.784 nan 8.290 nan 0.000 0.486 437 S N -1.134 114.500 115.700 -0.109 0.000 2.651 437 S HA 0.864 5.334 4.470 0.000 0.000 0.279 437 S C -1.138 173.364 174.600 -0.162 0.000 1.148 437 S CA -0.564 57.544 58.200 -0.154 0.000 0.837 437 S CB 2.678 65.724 63.200 -0.256 0.000 1.138 437 S HN 1.054 nan 8.310 nan 0.000 0.478 438 K N 0.238 120.523 120.400 -0.191 0.000 2.561 438 K HA 0.299 4.619 4.320 0.000 0.000 0.254 438 K C -2.098 174.426 176.600 -0.127 0.000 0.942 438 K CA -0.469 55.753 56.287 -0.108 0.000 0.818 438 K CB 1.240 33.725 32.500 -0.026 0.000 1.306 438 K HN 0.757 nan 8.250 nan 0.000 0.435 439 W N 5.348 126.636 121.300 -0.019 0.000 2.266 439 W HA 0.357 5.017 4.660 -0.000 0.000 0.317 439 W C 0.221 176.819 176.519 0.132 0.000 1.310 439 W CA -0.180 57.200 57.345 0.057 0.000 1.207 439 W CB 0.784 30.269 29.460 0.041 0.000 1.199 439 W HN 0.246 nan 8.180 nan 0.000 0.544 440 M N 3.629 123.490 119.600 0.435 0.000 2.484 440 M HA 0.306 4.786 4.480 0.000 0.000 0.289 440 M C -1.265 175.019 176.300 -0.027 0.000 1.206 440 M CA -1.097 54.173 55.300 -0.051 0.000 0.892 440 M CB 2.393 34.760 32.600 -0.389 0.000 1.712 440 M HN 0.182 nan 8.290 nan 0.000 0.462 441 F N 2.419 122.004 119.950 -0.610 0.000 2.420 441 F HA 0.437 4.964 4.527 0.000 0.000 0.352 441 F C 0.524 176.149 175.800 -0.292 0.000 1.108 441 F CA -0.311 57.167 58.000 -0.869 0.000 1.162 441 F CB 0.943 39.295 39.000 -1.080 0.000 1.118 441 F HN 0.327 nan 8.300 nan 0.000 0.510 442 V N 2.920 122.324 119.914 -0.850 0.000 3.477 442 V HA 0.687 4.807 4.120 0.000 0.000 0.297 442 V C 0.388 176.071 176.094 -0.684 0.000 1.433 442 V CA 0.322 62.300 62.300 -0.536 0.000 1.052 442 V CB -0.284 31.307 31.823 -0.386 0.000 0.895 442 V HN 1.394 nan 8.190 nan 0.000 0.438 443 G N 0.886 108.790 108.800 -1.495 0.000 2.841 443 G HA2 -0.055 3.905 3.960 0.000 0.000 0.684 443 G HA3 -0.055 3.905 3.960 0.000 0.000 0.684 443 G C -0.106 174.511 174.900 -0.472 0.000 1.273 443 G CA -0.206 44.360 45.100 -0.890 0.000 0.811 443 G HN 0.210 nan 8.290 nan 0.000 0.631 444 R N 0.973 121.406 120.500 -0.111 0.000 2.148 444 R HA -0.101 4.239 4.340 0.000 0.000 0.227 444 R C 2.274 178.589 176.300 0.024 0.000 1.103 444 R CA 1.516 57.640 56.100 0.040 0.000 0.983 444 R CB -0.120 30.281 30.300 0.168 0.000 0.874 444 R HN 0.689 nan 8.270 nan 0.000 0.451 445 N N 0.941 119.656 118.700 0.025 0.000 2.609 445 N HA -0.116 4.624 4.740 0.000 0.000 0.190 445 N C 0.761 176.301 175.510 0.050 0.000 1.157 445 N CA 0.823 53.899 53.050 0.044 0.000 0.918 445 N CB 0.079 38.599 38.487 0.055 0.000 0.978 445 N HN -0.005 nan 8.380 nan 0.000 0.448 446 K N 0.112 120.524 120.400 0.021 0.000 2.374 446 K HA 0.275 4.595 4.320 0.000 0.000 0.196 446 K C 0.291 176.904 176.600 0.022 0.000 1.023 446 K CA -0.068 56.257 56.287 0.062 0.000 1.103 446 K CB -0.037 32.490 32.500 0.044 0.000 0.848 446 K HN 0.297 nan 8.250 nan 0.000 0.528 447 A N 0.852 123.675 122.820 0.005 0.000 2.584 447 A HA 0.336 4.656 4.320 0.000 0.000 0.239 447 A C 1.395 178.993 177.584 0.023 0.000 1.043 447 A CA 1.250 53.291 52.037 0.006 0.000 0.756 447 A CB -0.500 18.518 19.000 0.028 0.000 0.963 447 A HN 0.566 nan 8.150 nan 0.000 0.511 448 G N 1.194 109.999 108.800 0.008 0.000 2.253 448 G HA2 -0.259 3.701 3.960 0.000 0.000 0.251 448 G HA3 -0.259 3.701 3.960 0.000 0.000 0.251 448 G C 0.358 175.289 174.900 0.052 0.000 0.998 448 G CA 0.576 45.691 45.100 0.025 0.000 0.621 448 G HN 0.994 nan 8.290 nan 0.000 0.524 449 Q N 0.066 119.917 119.800 0.085 0.000 2.361 449 Q HA 0.440 4.780 4.340 0.000 0.000 0.276 449 Q C -0.016 176.113 176.000 0.214 0.000 1.022 449 Q CA 0.131 56.055 55.803 0.202 0.000 0.898 449 Q CB 1.662 30.639 28.738 0.398 0.000 1.246 449 Q HN 0.221 nan 8.270 nan 0.000 0.410 450 V N 3.421 123.503 119.914 0.279 0.000 2.311 450 V HA 0.187 4.307 4.120 0.000 0.000 0.275 450 V C -0.776 175.578 176.094 0.434 0.000 1.022 450 V CA -0.672 61.779 62.300 0.252 0.000 0.830 450 V CB 0.001 31.912 31.823 0.146 0.000 1.012 450 V HN 0.631 nan 8.190 nan 0.000 0.452 451 W N 2.955 124.302 121.300 0.078 0.000 2.375 451 W HA 0.702 5.362 4.660 -0.000 0.000 0.336 451 W C 0.628 177.330 176.519 0.305 0.000 1.160 451 W CA -0.773 56.672 57.345 0.166 0.000 1.266 451 W CB 1.491 31.092 29.460 0.235 0.000 1.195 451 W HN 0.591 nan 8.180 nan 0.000 0.599 452 S N 0.178 116.160 115.700 0.470 0.000 2.599 452 S HA 0.339 4.809 4.470 0.000 0.000 0.287 452 S C -1.242 173.387 174.600 0.049 0.000 1.105 452 S CA -0.974 57.454 58.200 0.381 0.000 0.899 452 S CB 2.270 65.553 63.200 0.138 0.000 1.100 452 S HN 0.338 nan 8.310 nan 0.000 0.482 453 D N 0.772 120.904 120.400 -0.447 0.000 2.336 453 D HA 0.182 4.822 4.640 0.000 0.000 0.249 453 D C 0.763 176.810 176.300 -0.422 0.000 1.213 453 D CA -0.456 53.045 54.000 -0.831 0.000 0.870 453 D CB 0.423 40.513 40.800 -1.184 0.000 1.076 453 D HN 0.610 nan 8.370 nan 0.000 0.483 454 I N 3.036 123.392 120.570 -0.355 0.000 2.756 454 I HA -0.228 3.942 4.170 0.000 0.000 0.262 454 I C 1.766 177.771 176.117 -0.186 0.000 1.225 454 I CA 1.248 62.411 61.300 -0.228 0.000 1.472 454 I CB 0.194 38.072 38.000 -0.204 0.000 1.094 454 I HN 0.476 nan 8.210 nan 0.000 0.454 455 T N -2.830 111.583 114.554 -0.235 0.000 3.067 455 T HA 0.159 4.509 4.350 0.000 0.000 0.261 455 T C 1.616 176.220 174.700 -0.160 0.000 1.110 455 T CA 0.615 62.610 62.100 -0.176 0.000 1.113 455 T CB 0.160 68.919 68.868 -0.183 0.000 0.917 455 T HN 0.514 nan 8.240 nan 0.000 0.499 456 G N 1.716 110.395 108.800 -0.202 0.000 2.184 456 G HA2 -0.331 3.629 3.960 0.000 0.000 0.264 456 G HA3 -0.331 3.629 3.960 0.000 0.000 0.264 456 G C 0.967 175.783 174.900 -0.140 0.000 0.975 456 G CA 0.394 45.402 45.100 -0.154 0.000 0.642 456 G HN 0.505 nan 8.290 nan 0.000 0.536 457 N N -0.048 118.551 118.700 -0.168 0.000 2.223 457 N HA -0.044 4.697 4.740 0.000 0.000 0.185 457 N C 1.000 176.449 175.510 -0.102 0.000 1.016 457 N CA 1.005 53.984 53.050 -0.119 0.000 0.863 457 N CB -0.051 38.366 38.487 -0.118 0.000 0.983 457 N HN 0.415 nan 8.380 nan 0.000 0.429 458 R N 0.311 120.708 120.500 -0.171 0.000 2.494 458 R HA 0.201 4.541 4.340 0.000 0.000 0.305 458 R C 0.909 177.170 176.300 -0.067 0.000 0.959 458 R CA -0.087 55.971 56.100 -0.070 0.000 0.864 458 R CB 1.190 31.491 30.300 0.001 0.000 1.159 458 R HN 0.162 nan 8.270 nan 0.000 0.446 459 T N -1.637 112.933 114.554 0.028 0.000 3.057 459 T HA 0.086 4.436 4.350 0.000 0.000 0.254 459 T C 1.183 175.948 174.700 0.109 0.000 1.094 459 T CA 0.330 62.453 62.100 0.038 0.000 1.088 459 T CB 0.333 69.217 68.868 0.026 0.000 0.934 459 T HN 0.519 nan 8.240 nan 0.000 0.497 460 G N 1.652 110.568 108.800 0.193 0.000 2.485 460 G HA2 0.491 4.451 3.960 0.000 0.000 0.260 460 G HA3 0.491 4.451 3.960 0.000 0.000 0.260 460 G C -0.169 174.923 174.900 0.319 0.000 1.459 460 G CA 0.160 45.381 45.100 0.201 0.000 1.060 460 G HN 0.681 nan 8.290 nan 0.000 0.546 461 T N -4.132 110.542 114.554 0.201 0.000 2.883 461 T HA 0.606 4.956 4.350 0.000 0.000 0.296 461 T C -1.193 173.458 174.700 -0.081 0.000 1.117 461 T CA -0.731 61.484 62.100 0.193 0.000 1.006 461 T CB 1.951 70.898 68.868 0.130 0.000 1.191 461 T HN 0.583 nan 8.240 nan 0.000 0.508 462 V N 1.573 121.400 119.914 -0.145 0.000 2.483 462 V HA 0.513 4.633 4.120 0.000 0.000 0.297 462 V C -0.105 175.833 176.094 -0.260 0.000 1.027 462 V CA -0.737 61.314 62.300 -0.416 0.000 0.855 462 V CB 1.874 33.187 31.823 -0.851 0.000 0.995 462 V HN 1.139 nan 8.190 nan 0.000 0.424 463 T N 6.315 120.715 114.554 -0.257 0.000 2.733 463 T HA 0.460 4.810 4.350 0.000 0.000 0.294 463 T C 0.160 174.713 174.700 -0.246 0.000 0.956 463 T CA -0.314 61.682 62.100 -0.172 0.000 0.987 463 T CB 0.400 69.214 68.868 -0.090 0.000 0.920 463 T HN 0.331 nan 8.240 nan 0.000 0.470 464 I N 4.744 125.142 120.570 -0.287 0.000 2.598 464 I HA 0.073 4.243 4.170 0.000 0.000 0.284 464 I C 1.003 177.057 176.117 -0.105 0.000 1.140 464 I CA -0.613 60.516 61.300 -0.284 0.000 1.420 464 I CB -0.768 37.020 38.000 -0.353 0.000 1.387 464 I HN 0.682 nan 8.210 nan 0.000 0.553 465 N N 5.387 124.077 118.700 -0.016 0.000 2.347 465 N HA 0.175 4.915 4.740 0.000 0.000 0.253 465 N C 0.928 176.468 175.510 0.050 0.000 1.274 465 N CA 0.044 53.117 53.050 0.039 0.000 0.941 465 N CB 0.347 38.888 38.487 0.089 0.000 1.200 465 N HN 0.585 nan 8.380 nan 0.000 0.514 466 A N -0.368 122.481 122.820 0.049 0.000 2.084 466 A HA -0.198 4.122 4.320 0.000 0.000 0.221 466 A C 0.975 178.618 177.584 0.099 0.000 1.161 466 A CA 1.744 53.815 52.037 0.057 0.000 0.653 466 A CB -0.623 18.401 19.000 0.040 0.000 0.802 466 A HN 0.764 nan 8.150 nan 0.000 0.457 467 D N -1.996 118.501 120.400 0.162 0.000 2.349 467 D HA 0.287 4.927 4.640 0.000 0.000 0.214 467 D C 1.322 177.845 176.300 0.372 0.000 1.063 467 D CA 1.004 55.172 54.000 0.279 0.000 0.847 467 D CB 0.272 41.273 40.800 0.334 0.000 0.933 467 D HN 0.626 nan 8.370 nan 0.000 0.513 468 G N 0.517 109.428 108.800 0.185 0.000 2.179 468 G HA2 -0.215 3.745 3.960 0.000 0.000 0.220 468 G HA3 -0.215 3.745 3.960 0.000 0.000 0.220 468 G C -0.358 174.413 174.900 -0.215 0.000 0.990 468 G CA -0.521 44.523 45.100 -0.093 0.000 0.646 468 G HN 0.126 nan 8.290 nan 0.000 0.517 469 W N 0.572 121.912 121.300 0.067 0.000 2.438 469 W HA 0.668 5.328 4.660 -0.000 0.000 0.324 469 W C 0.603 177.133 176.519 0.017 0.000 1.119 469 W CA 0.235 57.652 57.345 0.121 0.000 1.221 469 W CB 1.823 31.389 29.460 0.177 0.000 1.253 469 W HN 0.526 nan 8.180 nan 0.000 0.555 470 G N 1.727 110.573 108.800 0.076 0.000 2.571 470 G HA2 0.291 4.251 3.960 0.000 0.000 0.304 470 G HA3 0.291 4.251 3.960 0.000 0.000 0.304 470 G C -1.575 172.692 174.900 -1.056 0.000 1.314 470 G CA -0.889 43.809 45.100 -0.671 0.000 0.975 470 G HN 0.321 nan 8.290 nan 0.000 0.485 471 N N 0.982 118.809 118.700 -1.455 0.000 2.678 471 N HA 0.396 5.136 4.740 0.000 0.000 0.231 471 N C -0.884 173.844 175.510 -1.302 0.000 1.038 471 N CA -0.641 51.405 53.050 -1.673 0.000 0.932 471 N CB -0.040 37.083 38.487 -2.275 0.000 1.176 471 N HN 0.214 nan 8.380 nan 0.000 0.511 472 F N 0.628 120.163 119.950 -0.690 0.000 2.371 472 F HA 0.421 4.948 4.527 0.000 0.000 0.329 472 F C 1.387 176.948 175.800 -0.399 0.000 1.107 472 F CA -0.551 57.027 58.000 -0.702 0.000 1.137 472 F CB 1.028 39.687 39.000 -0.569 0.000 1.214 472 F HN 0.269 nan 8.300 nan 0.000 0.536 473 S N 0.830 116.509 115.700 -0.035 0.000 2.634 473 S HA 0.889 5.359 4.470 0.000 0.000 0.296 473 S C -1.157 173.621 174.600 0.298 0.000 1.104 473 S CA -0.853 57.398 58.200 0.086 0.000 0.920 473 S CB 1.978 65.186 63.200 0.014 0.000 1.111 473 S HN 0.738 nan 8.310 nan 0.000 0.493 474 V N 0.940 120.947 119.914 0.156 0.000 3.048 474 V HA 0.479 4.599 4.120 0.000 0.000 0.303 474 V C -1.623 174.514 176.094 0.072 0.000 1.214 474 V CA -0.859 61.516 62.300 0.125 0.000 0.984 474 V CB 2.235 34.108 31.823 0.085 0.000 1.054 474 V HN 1.037 nan 8.190 nan 0.000 0.430 475 N N 2.587 121.320 118.700 0.056 0.000 2.424 475 N HA 0.377 5.117 4.740 0.000 0.000 0.257 475 N C 0.305 175.848 175.510 0.055 0.000 1.250 475 N CA 0.460 53.538 53.050 0.046 0.000 0.946 475 N CB 1.244 39.751 38.487 0.034 0.000 1.175 475 N HN 1.003 nan 8.380 nan 0.000 0.477 476 G N -1.345 107.487 108.800 0.053 0.000 2.554 476 G HA2 0.335 4.295 3.960 0.000 0.000 0.238 476 G HA3 0.335 4.295 3.960 0.000 0.000 0.238 476 G C 0.785 175.748 174.900 0.106 0.000 1.259 476 G CA 0.084 45.226 45.100 0.071 0.000 0.843 476 G HN 0.755 nan 8.290 nan 0.000 0.582 477 G N -0.714 108.192 108.800 0.175 0.000 2.412 477 G HA2 0.062 4.022 3.960 0.000 0.000 0.297 477 G HA3 0.062 4.022 3.960 0.000 0.000 0.297 477 G C 0.391 175.460 174.900 0.282 0.000 0.965 477 G CA 1.193 46.498 45.100 0.341 0.000 1.134 477 G HN 1.544 nan 8.290 nan 0.000 0.511 478 S N -2.078 113.718 115.700 0.159 0.000 2.656 478 S HA 0.781 5.251 4.470 0.000 0.000 0.273 478 S C -0.885 173.712 174.600 -0.005 0.000 1.168 478 S CA 0.125 58.365 58.200 0.066 0.000 0.817 478 S CB 2.301 65.529 63.200 0.047 0.000 1.146 478 S HN 1.676 nan 8.310 nan 0.000 0.475 479 V N 1.356 121.237 119.914 -0.056 0.000 2.841 479 V HA 0.888 5.008 4.120 0.000 0.000 0.310 479 V C -1.123 174.888 176.094 -0.139 0.000 1.090 479 V CA -0.076 62.162 62.300 -0.103 0.000 0.930 479 V CB 1.992 33.736 31.823 -0.132 0.000 1.014 479 V HN 0.901 nan 8.190 nan 0.000 0.425 480 S N 6.305 121.900 115.700 -0.175 0.000 2.538 480 S HA 0.709 5.179 4.470 0.000 0.000 0.288 480 S C -0.823 173.559 174.600 -0.364 0.000 1.108 480 S CA -0.431 57.577 58.200 -0.319 0.000 0.971 480 S CB 1.482 64.496 63.200 -0.310 0.000 1.041 480 S HN 0.651 nan 8.310 nan 0.000 0.483 481 I N 2.654 122.948 120.570 -0.461 0.000 2.495 481 I HA 0.312 4.482 4.170 0.000 0.000 0.277 481 I C -1.314 174.570 176.117 -0.389 0.000 1.045 481 I CA -0.437 60.658 61.300 -0.342 0.000 1.135 481 I CB 0.812 38.670 38.000 -0.237 0.000 1.241 481 I HN 0.557 nan 8.210 nan 0.000 0.469 482 W N 6.819 128.031 121.300 -0.147 0.000 2.287 482 W HA 0.520 5.179 4.660 -0.000 0.000 0.313 482 W C 0.214 176.627 176.519 -0.176 0.000 1.267 482 W CA -0.440 56.899 57.345 -0.010 0.000 1.201 482 W CB 0.906 30.537 29.460 0.286 0.000 1.196 482 W HN 0.227 nan 8.180 nan 0.000 0.536 483 V N 0.685 120.414 119.914 -0.310 0.000 3.167 483 V HA 0.516 4.636 4.120 0.000 0.000 0.310 483 V C -0.628 174.731 176.094 -1.225 0.000 1.207 483 V CA -1.341 60.284 62.300 -1.124 0.000 1.059 483 V CB 2.145 33.052 31.823 -1.527 0.000 1.079 483 V HN 0.461 nan 8.190 nan 0.000 0.446 484 N N 1.555 119.394 118.700 -1.436 0.000 3.331 484 N HA 0.243 4.983 4.740 0.000 0.000 0.303 484 N C 0.047 175.380 175.510 -0.294 0.000 1.326 484 N CA -0.428 52.133 53.050 -0.816 0.000 1.207 484 N CB -0.334 37.831 38.487 -0.537 0.000 1.477 484 N HN 0.887 nan 8.380 nan 0.000 0.541 485 K N 0.000 120.251 120.400 -0.248 0.000 2.780 485 K HA 0.000 4.320 4.320 0.000 0.000 0.191 485 K CA 0.000 56.256 56.287 -0.052 0.000 0.838 485 K CB 0.000 32.469 32.500 -0.051 0.000 1.064 485 K HN 0.000 nan 8.250 nan 0.000 0.543