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 3gkq_1_C DATA FIRST_RESID 8 DATA SEQUENCE AGIAERRTRA WAPYIDAKLG FRNHWYPVRL SAEVAEASPV PVQLLGEKVL DATA SEQUENCE LNRVDGVVHA IADRCLHRGV TLSDKVECYS KATISCWYHG WTYRWDNGKL DATA SEQUENCE VDILTNPTSV QIGRHALKTY PVREEKGLVF LFVGDQEPHD LAEDVPPGFL DATA SEQUENCE DADLAVHGQH RVVDANWRMG VENGFDAGHV FIHKSSILLD GNDIALPLGF DATA SEQUENCE APGDPEQLTR SVTGEGAPKG VFDLLGEHSV PIFEATIEGQ PAIQGHMGSK DATA SEQUENCE MVAISISVWL PGVLKVDPFP DPTLTQFEWY VPIDEGHHLY LQMLGRRVGS DATA SEQUENCE EEEARSFEAE FREKWVELAL NGFNDDDILA RRSMEPFYAD DRGWREEVLF DATA SEQUENCE ESDRAIIEWR RLASQYNRGI QTRD 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.574 177.584 -0.017 0.000 1.274 8 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 8 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 9 G N 1.176 109.963 108.800 -0.022 0.000 2.663 9 G HA2 0.498 4.457 3.960 -0.001 0.000 0.320 9 G HA3 0.498 4.457 3.960 -0.001 0.000 0.320 9 G C 1.001 175.883 174.900 -0.030 0.000 0.937 9 G CA 0.319 45.401 45.100 -0.030 0.000 1.332 9 G HN 0.650 nan 8.290 nan 0.000 0.461 10 I N 1.071 121.625 120.570 -0.025 0.000 4.528 10 I HA -0.485 3.684 4.170 -0.001 0.000 0.072 10 I C 2.619 178.717 176.117 -0.031 0.000 0.619 10 I CA 2.620 63.907 61.300 -0.021 0.000 0.801 10 I CB -1.512 36.483 38.000 -0.008 0.000 0.727 10 I HN 0.501 nan 8.210 nan 0.000 0.178 11 A N -0.431 122.371 122.820 -0.030 0.000 1.930 11 A HA -0.146 4.173 4.320 -0.001 0.000 0.215 11 A C 2.210 179.742 177.584 -0.087 0.000 1.176 11 A CA 1.540 53.554 52.037 -0.038 0.000 0.632 11 A CB -0.450 18.541 19.000 -0.015 0.000 0.819 11 A HN 0.653 nan 8.150 nan 0.000 0.445 12 E N 0.759 120.911 120.200 -0.080 0.000 2.110 12 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 12 E C 2.125 178.637 176.600 -0.147 0.000 0.988 12 E CA 1.070 57.407 56.400 -0.107 0.000 0.804 12 E CB -0.263 29.393 29.700 -0.074 0.000 0.745 12 E HN 0.609 nan 8.360 nan 0.000 0.458 13 R N 0.037 120.467 120.500 -0.117 0.000 2.075 13 R HA -0.069 4.270 4.340 -0.001 0.000 0.232 13 R C 2.731 178.926 176.300 -0.175 0.000 1.126 13 R CA 1.409 57.436 56.100 -0.121 0.000 0.963 13 R CB -0.343 29.912 30.300 -0.075 0.000 0.858 13 R HN 0.103 nan 8.270 nan 0.000 0.435 14 R N 0.893 121.287 120.500 -0.177 0.000 2.092 14 R HA -0.087 4.252 4.340 -0.001 0.000 0.231 14 R C 1.792 177.739 176.300 -0.590 0.000 1.119 14 R CA 1.935 57.903 56.100 -0.219 0.000 0.970 14 R CB -0.052 30.195 30.300 -0.088 0.000 0.864 14 R HN 0.266 nan 8.270 nan 0.000 0.440 15 T N -2.560 111.589 114.554 -0.674 0.000 3.060 15 T HA 0.098 4.447 4.350 -0.001 0.000 0.249 15 T C 1.690 175.881 174.700 -0.849 0.000 1.079 15 T CA -0.084 61.315 62.100 -1.167 0.000 1.013 15 T CB -0.048 68.470 68.868 -0.583 0.000 0.975 15 T HN 0.242 nan 8.240 nan 0.000 0.518 16 R N 1.615 121.807 120.500 -0.513 0.000 2.133 16 R HA -0.148 4.192 4.340 -0.001 0.000 0.245 16 R C 2.486 178.603 176.300 -0.305 0.000 1.137 16 R CA 1.957 57.867 56.100 -0.317 0.000 0.947 16 R CB -0.915 29.257 30.300 -0.214 0.000 0.865 16 R HN 0.468 nan 8.270 nan 0.000 0.437 17 A N 0.192 122.791 122.820 -0.369 0.000 2.178 17 A HA -0.107 4.212 4.320 -0.001 0.000 0.218 17 A C 0.833 178.406 177.584 -0.018 0.000 1.157 17 A CA 1.070 53.004 52.037 -0.172 0.000 0.689 17 A CB -0.391 18.579 19.000 -0.050 0.000 0.787 17 A HN 0.692 nan 8.150 nan 0.000 0.465 18 W N -2.693 118.554 121.300 -0.088 0.000 2.407 18 W HA 0.618 5.278 4.660 -0.000 0.000 0.370 18 W C 1.227 177.693 176.519 -0.088 0.000 0.928 18 W CA -0.494 56.782 57.345 -0.115 0.000 2.005 18 W CB -1.330 28.032 29.460 -0.162 0.000 1.171 18 W HN 0.275 nan 8.180 nan 0.000 0.572 19 A N 2.239 125.057 122.820 -0.003 0.000 1.917 19 A HA -0.161 4.158 4.320 -0.001 0.000 0.219 19 A C -0.060 177.536 177.584 0.020 0.000 1.182 19 A CA 1.859 53.881 52.037 -0.025 0.000 0.633 19 A CB -1.620 17.344 19.000 -0.060 0.000 0.819 19 A HN 0.057 nan 8.150 nan 0.000 0.448 20 P HA -0.169 nan 4.420 nan 0.000 0.216 20 P C 1.460 178.870 177.300 0.183 0.000 1.153 20 P CA 1.221 64.382 63.100 0.102 0.000 0.848 20 P CB -0.172 31.579 31.700 0.086 0.000 0.787 21 Y N 0.289 120.610 120.300 0.034 0.000 2.181 21 Y HA -0.154 4.395 4.550 -0.001 0.000 0.288 21 Y C 2.027 177.793 175.900 -0.224 0.000 1.146 21 Y CA 1.345 59.438 58.100 -0.012 0.000 1.164 21 Y CB -0.950 37.419 38.460 -0.152 0.000 0.982 21 Y HN -0.180 nan 8.280 nan 0.000 0.515 22 I N 0.058 120.461 120.570 -0.279 0.000 2.361 22 I HA -0.286 3.883 4.170 -0.001 0.000 0.251 22 I C 1.452 177.428 176.117 -0.236 0.000 1.133 22 I CA 1.849 62.824 61.300 -0.542 0.000 1.413 22 I CB -0.328 37.442 38.000 -0.384 0.000 1.073 22 I HN 0.213 nan 8.210 nan 0.000 0.424 23 D N 0.657 121.000 120.400 -0.095 0.000 2.323 23 D HA 0.064 4.703 4.640 -0.001 0.000 0.209 23 D C 1.427 177.734 176.300 0.011 0.000 0.973 23 D CA 0.338 54.331 54.000 -0.012 0.000 0.874 23 D CB 0.136 40.953 40.800 0.028 0.000 0.930 23 D HN 0.221 nan 8.370 nan 0.000 0.521 24 A N 0.701 123.517 122.820 -0.007 0.000 2.958 24 A HA 0.033 4.352 4.320 -0.001 0.000 0.247 24 A C 1.608 179.255 177.584 0.104 0.000 1.679 24 A CA 0.004 52.059 52.037 0.030 0.000 1.345 24 A CB -0.592 18.398 19.000 -0.018 0.000 1.013 24 A HN 0.052 nan 8.150 nan 0.000 0.641 25 K N -0.499 119.954 120.400 0.088 0.000 2.209 25 K HA -0.077 4.242 4.320 -0.001 0.000 0.204 25 K C 0.876 177.639 176.600 0.272 0.000 1.048 25 K CA 1.051 57.426 56.287 0.147 0.000 0.940 25 K CB -0.050 32.505 32.500 0.092 0.000 0.729 25 K HN 0.473 nan 8.250 nan 0.000 0.451 26 L N 0.064 121.378 121.223 0.151 0.000 2.728 26 L HA 0.305 4.644 4.340 -0.001 0.000 0.238 26 L C 0.277 177.022 176.870 -0.208 0.000 1.143 26 L CA 0.921 55.779 54.840 0.030 0.000 0.937 26 L CB 0.416 42.478 42.059 0.005 0.000 1.225 26 L HN 0.402 nan 8.230 nan 0.000 0.507 27 G N -1.206 107.415 108.800 -0.299 0.000 2.685 27 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.387 27 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.387 27 G C -0.738 173.878 174.900 -0.473 0.000 1.324 27 G CA -0.664 43.904 45.100 -0.886 0.000 0.878 27 G HN -0.092 nan 8.290 nan 0.000 0.527 28 F N 0.815 120.726 119.950 -0.065 0.000 2.415 28 F HA 0.698 5.224 4.527 -0.001 0.000 0.348 28 F C 1.057 177.008 175.800 0.252 0.000 1.119 28 F CA -0.669 57.422 58.000 0.151 0.000 1.069 28 F CB 1.706 40.814 39.000 0.180 0.000 1.124 28 F HN 0.661 nan 8.300 nan 0.000 0.472 29 R N 2.358 123.074 120.500 0.360 0.000 2.560 29 R HA 0.274 4.613 4.340 -0.001 0.000 0.270 29 R C 0.089 176.453 176.300 0.107 0.000 1.074 29 R CA -0.113 56.092 56.100 0.174 0.000 1.140 29 R CB 0.358 30.711 30.300 0.087 0.000 1.073 29 R HN 0.799 nan 8.270 nan 0.000 0.527 30 N N 1.812 120.406 118.700 -0.177 0.000 2.816 30 N HA -0.178 4.562 4.740 -0.001 0.000 0.247 30 N C -1.474 173.751 175.510 -0.475 0.000 1.100 30 N CA 0.822 53.640 53.050 -0.386 0.000 0.687 30 N CB -1.228 37.234 38.487 -0.042 0.000 1.003 30 N HN 0.601 nan 8.380 nan 0.000 0.554 31 H N -1.742 117.070 119.070 -0.429 0.000 2.946 31 H HA 0.319 4.874 4.556 -0.001 0.000 0.365 31 H C -0.288 174.837 175.328 -0.337 0.000 1.197 31 H CA -0.366 55.609 56.048 -0.121 0.000 1.131 31 H CB 0.804 30.525 29.762 -0.068 0.000 1.849 31 H HN 0.028 nan 8.280 nan 0.000 0.555 32 W N 1.052 122.423 121.300 0.118 0.000 2.376 32 W HA 0.379 5.039 4.660 -0.001 0.000 0.322 32 W C -0.708 175.794 176.519 -0.028 0.000 1.160 32 W CA -0.142 57.306 57.345 0.171 0.000 1.218 32 W CB 0.603 30.189 29.460 0.208 0.000 1.205 32 W HN 0.326 nan 8.180 nan 0.000 0.559 33 Y N 2.813 123.454 120.300 0.568 0.000 2.470 33 Y HA 0.329 4.879 4.550 -0.001 0.000 0.341 33 Y C -2.111 173.837 175.900 0.081 0.000 1.021 33 Y CA -2.793 55.503 58.100 0.325 0.000 1.025 33 Y CB 2.011 40.557 38.460 0.143 0.000 1.266 33 Y HN 0.110 nan 8.280 nan 0.000 0.448 34 P HA 0.164 nan 4.420 nan 0.000 0.285 34 P C 0.155 177.212 177.300 -0.405 0.000 1.259 34 P CA -0.158 62.436 63.100 -0.843 0.000 0.794 34 P CB 2.303 33.057 31.700 -1.577 0.000 0.940 35 V N 0.207 119.923 119.914 -0.329 0.000 3.539 35 V HA 0.486 4.605 4.120 -0.001 0.000 0.262 35 V C 0.658 176.588 176.094 -0.274 0.000 1.381 35 V CA 0.377 62.532 62.300 -0.242 0.000 1.060 35 V CB -0.301 31.429 31.823 -0.156 0.000 0.842 35 V HN 0.390 nan 8.190 nan 0.000 0.445 36 R N -0.458 119.900 120.500 -0.237 0.000 2.710 36 R HA 0.704 5.043 4.340 -0.001 0.000 0.270 36 R C -1.520 174.730 176.300 -0.083 0.000 1.021 36 R CA -0.614 55.407 56.100 -0.131 0.000 0.889 36 R CB 1.725 31.976 30.300 -0.082 0.000 1.243 36 R HN 0.303 nan 8.270 nan 0.000 0.464 37 L N 1.673 122.916 121.223 0.034 0.000 2.395 37 L HA 0.256 4.595 4.340 -0.001 0.000 0.269 37 L C 1.147 178.003 176.870 -0.023 0.000 1.133 37 L CA -0.198 54.641 54.840 -0.001 0.000 0.812 37 L CB 1.468 43.544 42.059 0.028 0.000 1.125 37 L HN 0.794 nan 8.230 nan 0.000 0.452 38 S N 1.863 117.540 115.700 -0.038 0.000 2.374 38 S HA -0.261 4.208 4.470 -0.001 0.000 0.227 38 S C 1.873 176.456 174.600 -0.027 0.000 1.037 38 S CA 1.730 59.908 58.200 -0.036 0.000 1.024 38 S CB -0.232 62.947 63.200 -0.035 0.000 0.861 38 S HN 0.821 nan 8.310 nan 0.000 0.456 39 A N 1.018 123.828 122.820 -0.017 0.000 2.121 39 A HA -0.084 4.235 4.320 -0.001 0.000 0.218 39 A C 1.841 179.417 177.584 -0.013 0.000 1.154 39 A CA 1.076 53.104 52.037 -0.014 0.000 0.679 39 A CB -0.374 18.622 19.000 -0.007 0.000 0.795 39 A HN 0.582 nan 8.150 nan 0.000 0.458 40 E N -0.627 119.570 120.200 -0.006 0.000 2.435 40 E HA 0.047 4.396 4.350 -0.001 0.000 0.195 40 E C -0.501 176.089 176.600 -0.017 0.000 1.029 40 E CA 0.257 56.658 56.400 0.002 0.000 0.865 40 E CB 0.222 29.944 29.700 0.037 0.000 0.833 40 E HN 0.330 nan 8.360 nan 0.000 0.510 41 V N 1.864 121.758 119.914 -0.032 0.000 2.220 41 V HA 0.367 4.486 4.120 -0.001 0.000 0.265 41 V C 0.019 176.076 176.094 -0.062 0.000 1.078 41 V CA -0.587 61.681 62.300 -0.054 0.000 0.872 41 V CB 0.570 32.356 31.823 -0.062 0.000 1.121 41 V HN 0.095 nan 8.190 nan 0.000 0.460 42 A N 2.469 125.254 122.820 -0.058 0.000 2.286 42 A HA 0.670 4.989 4.320 -0.001 0.000 0.286 42 A C 0.283 177.822 177.584 -0.076 0.000 1.097 42 A CA -0.432 51.571 52.037 -0.056 0.000 0.821 42 A CB 0.571 19.547 19.000 -0.040 0.000 1.076 42 A HN 0.735 nan 8.150 nan 0.000 0.490 43 E N 0.955 121.116 120.200 -0.066 0.000 2.529 43 E HA 0.274 4.623 4.350 -0.001 0.000 0.259 43 E C 0.854 177.408 176.600 -0.076 0.000 0.966 43 E CA 1.426 57.783 56.400 -0.072 0.000 0.937 43 E CB -0.079 29.594 29.700 -0.046 0.000 0.923 43 E HN 1.922 nan 8.360 nan 0.000 0.468 44 A N 3.469 126.226 122.820 -0.106 0.000 2.748 44 A HA -0.225 4.094 4.320 -0.001 0.000 0.297 44 A C 0.551 178.092 177.584 -0.072 0.000 1.508 44 A CA 1.280 53.262 52.037 -0.092 0.000 0.799 44 A CB -1.929 17.049 19.000 -0.037 0.000 1.011 44 A HN 0.492 nan 8.150 nan 0.000 0.500 45 S N -0.277 115.364 115.700 -0.097 0.000 2.216 45 S HA 0.545 5.014 4.470 -0.001 0.000 0.156 45 S C -2.655 171.904 174.600 -0.069 0.000 1.665 45 S CA -1.083 57.083 58.200 -0.058 0.000 1.262 45 S CB 0.344 63.518 63.200 -0.043 0.000 1.207 45 S HN 0.258 nan 8.310 nan 0.000 0.427 46 P HA 0.045 nan 4.420 nan 0.000 0.263 46 P C -1.148 176.165 177.300 0.020 0.000 1.175 46 P CA 0.049 63.141 63.100 -0.013 0.000 0.761 46 P CB 0.554 32.359 31.700 0.175 0.000 0.794 47 V N 5.849 125.771 119.914 0.014 0.000 2.525 47 V HA 0.401 4.520 4.120 -0.001 0.000 0.299 47 V C -2.155 173.956 176.094 0.029 0.000 1.034 47 V CA -1.926 60.382 62.300 0.014 0.000 0.863 47 V CB 2.072 33.888 31.823 -0.013 0.000 0.999 47 V HN 0.520 nan 8.190 nan 0.000 0.423 48 P HA 0.546 nan 4.420 nan 0.000 0.288 48 P C -0.940 176.350 177.300 -0.017 0.000 1.267 48 P CA -0.268 62.845 63.100 0.022 0.000 0.815 48 P CB 2.198 33.916 31.700 0.030 0.000 0.989 49 V N -0.211 119.678 119.914 -0.042 0.000 3.159 49 V HA 0.657 4.776 4.120 -0.001 0.000 0.308 49 V C -1.149 174.891 176.094 -0.090 0.000 1.190 49 V CA -1.000 61.255 62.300 -0.075 0.000 1.037 49 V CB 2.055 33.817 31.823 -0.101 0.000 1.060 49 V HN 0.601 nan 8.190 nan 0.000 0.437 50 Q N 1.877 121.620 119.800 -0.096 0.000 2.323 50 Q HA 0.806 5.145 4.340 -0.001 0.000 0.271 50 Q C -1.715 174.219 176.000 -0.109 0.000 1.048 50 Q CA -0.843 54.903 55.803 -0.094 0.000 0.792 50 Q CB 2.280 30.978 28.738 -0.067 0.000 1.280 50 Q HN 1.066 nan 8.270 nan 0.000 0.441 51 L N 1.365 122.509 121.223 -0.131 0.000 2.482 51 L HA 0.563 4.902 4.340 -0.001 0.000 0.263 51 L C -0.721 176.042 176.870 -0.177 0.000 0.957 51 L CA -1.109 53.630 54.840 -0.167 0.000 0.836 51 L CB 1.598 43.535 42.059 -0.204 0.000 1.324 51 L HN 0.723 nan 8.230 nan 0.000 0.406 52 L N 3.595 124.688 121.223 -0.216 0.000 3.737 52 L HA -0.179 4.160 4.340 -0.001 0.000 0.418 52 L C 1.334 178.150 176.870 -0.089 0.000 1.216 52 L CA 1.456 56.176 54.840 -0.200 0.000 0.915 52 L CB -1.665 40.239 42.059 -0.259 0.000 1.834 52 L HN 1.297 nan 8.230 nan 0.000 0.943 53 G N -1.903 106.864 108.800 -0.055 0.000 2.189 53 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.267 53 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.267 53 G C 0.276 175.168 174.900 -0.013 0.000 0.975 53 G CA 0.548 45.637 45.100 -0.018 0.000 0.644 53 G HN 0.542 nan 8.290 nan 0.000 0.537 54 E N 0.428 120.613 120.200 -0.025 0.000 2.175 54 E HA 0.440 4.789 4.350 -0.001 0.000 0.278 54 E C -0.120 176.453 176.600 -0.044 0.000 0.969 54 E CA -0.631 55.769 56.400 0.001 0.000 0.796 54 E CB 1.087 30.826 29.700 0.066 0.000 1.104 54 E HN 0.245 nan 8.360 nan 0.000 0.395 55 K N 2.281 122.670 120.400 -0.018 0.000 2.285 55 K HA 0.313 4.632 4.320 -0.001 0.000 0.286 55 K C -0.721 175.846 176.600 -0.054 0.000 1.072 55 K CA -0.321 55.945 56.287 -0.035 0.000 0.913 55 K CB 1.047 33.544 32.500 -0.005 0.000 1.067 55 K HN 0.181 nan 8.250 nan 0.000 0.479 56 V N 4.149 123.994 119.914 -0.115 0.000 2.864 56 V HA 0.429 4.549 4.120 -0.001 0.000 0.314 56 V C -0.480 175.597 176.094 -0.027 0.000 1.073 56 V CA -1.079 61.134 62.300 -0.144 0.000 0.956 56 V CB 2.092 33.668 31.823 -0.411 0.000 1.023 56 V HN 0.646 nan 8.190 nan 0.000 0.435 57 L N 4.140 125.405 121.223 0.069 0.000 2.349 57 L HA 0.607 4.946 4.340 -0.001 0.000 0.278 57 L C -1.128 175.905 176.870 0.273 0.000 0.996 57 L CA -0.422 54.526 54.840 0.181 0.000 0.825 57 L CB 1.489 43.703 42.059 0.258 0.000 1.243 57 L HN 0.537 nan 8.230 nan 0.000 0.412 58 L N 4.123 125.435 121.223 0.148 0.000 2.334 58 L HA 0.615 4.954 4.340 -0.001 0.000 0.272 58 L C -0.535 176.249 176.870 -0.143 0.000 1.020 58 L CA -0.657 54.216 54.840 0.055 0.000 0.812 58 L CB 1.848 43.902 42.059 -0.008 0.000 1.264 58 L HN 0.549 nan 8.230 nan 0.000 0.439 59 N N 0.679 119.177 118.700 -0.336 0.000 2.636 59 N HA 0.286 5.025 4.740 -0.001 0.000 0.261 59 N C -1.677 173.585 175.510 -0.413 0.000 1.195 59 N CA -0.758 51.928 53.050 -0.607 0.000 0.902 59 N CB 2.209 39.736 38.487 -1.601 0.000 1.627 59 N HN 0.537 nan 8.380 nan 0.000 0.491 60 R N 2.478 122.791 120.500 -0.312 0.000 2.295 60 R HA 0.654 4.994 4.340 -0.001 0.000 0.324 60 R C -1.419 174.778 176.300 -0.171 0.000 0.968 60 R CA -0.512 55.468 56.100 -0.198 0.000 0.837 60 R CB 0.711 30.929 30.300 -0.137 0.000 1.133 60 R HN 0.321 nan 8.270 nan 0.000 0.450 61 V N 5.115 124.979 119.914 -0.083 0.000 2.407 61 V HA 0.195 4.315 4.120 -0.001 0.000 0.291 61 V C -0.415 175.697 176.094 0.030 0.000 1.018 61 V CA -0.686 61.606 62.300 -0.014 0.000 0.842 61 V CB 1.612 33.475 31.823 0.067 0.000 0.996 61 V HN 0.949 nan 8.190 nan 0.000 0.426 62 D N 4.305 124.712 120.400 0.012 0.000 2.723 62 D HA -0.194 4.445 4.640 -0.001 0.000 0.236 62 D C 1.358 177.657 176.300 -0.001 0.000 1.138 62 D CA 1.679 55.689 54.000 0.017 0.000 0.676 62 D CB -1.083 39.742 40.800 0.043 0.000 1.069 62 D HN 1.417 nan 8.370 nan 0.000 0.430 63 G N -2.212 106.572 108.800 -0.025 0.000 2.245 63 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.264 63 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.264 63 G C 0.418 175.279 174.900 -0.066 0.000 0.985 63 G CA 0.397 45.472 45.100 -0.040 0.000 0.625 63 G HN 0.661 nan 8.290 nan 0.000 0.536 64 V N 1.594 121.459 119.914 -0.082 0.000 2.407 64 V HA 0.568 4.687 4.120 -0.001 0.000 0.278 64 V C 0.853 176.753 176.094 -0.324 0.000 1.037 64 V CA -0.813 61.379 62.300 -0.179 0.000 0.900 64 V CB 1.762 33.484 31.823 -0.169 0.000 0.983 64 V HN 0.238 nan 8.190 nan 0.000 0.459 65 V N 5.728 125.465 119.914 -0.294 0.000 2.530 65 V HA 0.321 4.441 4.120 -0.001 0.000 0.282 65 V C 0.050 175.925 176.094 -0.366 0.000 1.048 65 V CA -0.203 61.945 62.300 -0.253 0.000 0.997 65 V CB 0.476 32.231 31.823 -0.115 0.000 0.987 65 V HN 0.804 nan 8.190 nan 0.000 0.477 66 H N 2.482 121.564 119.070 0.021 0.000 2.679 66 H HA 0.808 5.364 4.556 -0.001 0.000 0.367 66 H C -0.283 175.161 175.328 0.194 0.000 1.162 66 H CA -0.534 55.598 56.048 0.140 0.000 1.181 66 H CB 2.310 32.201 29.762 0.216 0.000 1.693 66 H HN 0.715 nan 8.280 nan 0.000 0.538 67 A N 2.870 125.932 122.820 0.403 0.000 2.381 67 A HA 0.621 4.940 4.320 -0.001 0.000 0.299 67 A C -0.483 177.350 177.584 0.415 0.000 1.049 67 A CA -0.646 51.600 52.037 0.347 0.000 0.715 67 A CB 0.821 19.965 19.000 0.241 0.000 1.222 67 A HN 0.642 nan 8.150 nan 0.000 0.428 68 I N -0.686 120.104 120.570 0.367 0.000 2.934 68 I HA 0.883 5.052 4.170 -0.001 0.000 0.306 68 I C 0.277 176.534 176.117 0.233 0.000 1.110 68 I CA -1.302 60.168 61.300 0.284 0.000 1.019 68 I CB 2.151 40.212 38.000 0.103 0.000 1.227 68 I HN 0.696 nan 8.210 nan 0.000 0.434 69 A N 2.068 125.024 122.820 0.228 0.000 2.520 69 A HA 0.068 4.387 4.320 -0.001 0.000 0.245 69 A C 0.124 177.728 177.584 0.033 0.000 1.072 69 A CA 0.131 52.275 52.037 0.178 0.000 0.761 69 A CB -0.148 18.924 19.000 0.120 0.000 1.004 69 A HN 0.779 nan 8.150 nan 0.000 0.499 70 D N 1.294 121.714 120.400 0.032 0.000 2.994 70 D HA 0.211 4.850 4.640 -0.001 0.000 0.240 70 D C 0.194 176.494 176.300 0.001 0.000 1.195 70 D CA 0.305 54.316 54.000 0.017 0.000 0.957 70 D CB -0.675 40.148 40.800 0.037 0.000 1.105 70 D HN 0.530 nan 8.370 nan 0.000 0.477 71 R N 0.901 121.370 120.500 -0.052 0.000 2.522 71 R HA 0.261 4.600 4.340 -0.001 0.000 0.273 71 R C -1.388 174.831 176.300 -0.136 0.000 1.133 71 R CA -0.709 55.354 56.100 -0.061 0.000 0.969 71 R CB 0.674 30.953 30.300 -0.035 0.000 1.235 71 R HN 0.186 nan 8.270 nan 0.000 0.433 72 C N 5.189 124.412 119.300 -0.128 0.000 2.662 72 C HA 0.227 4.686 4.460 -0.001 0.000 0.420 72 C C 1.839 176.753 174.990 -0.127 0.000 1.314 72 C CA -0.366 58.576 59.018 -0.127 0.000 1.963 72 C CB -0.319 27.346 27.740 -0.124 0.000 2.686 72 C HN 0.945 nan 8.230 nan 0.000 0.609 73 L N 3.932 125.127 121.223 -0.046 0.000 2.395 73 L HA -0.032 4.308 4.340 -0.001 0.000 0.218 73 L C 2.371 179.075 176.870 -0.275 0.000 1.130 73 L CA 0.851 55.652 54.840 -0.065 0.000 0.826 73 L CB -0.849 41.296 42.059 0.143 0.000 0.941 73 L HN 0.861 nan 8.230 nan 0.000 0.451 74 H N 0.864 119.458 119.070 -0.794 0.000 2.300 74 H HA -0.024 4.532 4.556 -0.001 0.000 0.302 74 H C 1.189 176.186 175.328 -0.551 0.000 1.049 74 H CA 0.937 56.313 56.048 -1.119 0.000 1.254 74 H CB 0.479 29.177 29.762 -1.774 0.000 1.396 74 H HN 0.054 nan 8.280 nan 0.000 0.518 75 R N -0.171 119.967 120.500 -0.602 0.000 2.546 75 R HA 0.151 4.490 4.340 -0.001 0.000 0.320 75 R C 0.771 176.942 176.300 -0.215 0.000 1.021 75 R CA 0.480 56.313 56.100 -0.445 0.000 1.088 75 R CB 0.591 30.624 30.300 -0.445 0.000 1.278 75 R HN 0.717 nan 8.270 nan 0.000 0.557 76 G N 1.487 110.172 108.800 -0.191 0.000 2.179 76 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.257 76 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.257 76 G C 0.476 175.336 174.900 -0.066 0.000 1.010 76 G CA 0.606 45.640 45.100 -0.110 0.000 0.736 76 G HN 0.300 nan 8.290 nan 0.000 0.513 77 V N -2.509 117.352 119.914 -0.087 0.000 3.185 77 V HA 0.731 4.851 4.120 -0.001 0.000 0.305 77 V C 0.824 176.944 176.094 0.043 0.000 1.090 77 V CA 0.221 62.512 62.300 -0.014 0.000 1.107 77 V CB 1.105 32.832 31.823 -0.159 0.000 1.061 77 V HN 0.354 nan 8.190 nan 0.000 0.480 78 T N 4.193 118.857 114.554 0.182 0.000 2.729 78 T HA 0.397 4.746 4.350 -0.001 0.000 0.296 78 T C 1.226 176.125 174.700 0.332 0.000 0.928 78 T CA -0.127 62.082 62.100 0.182 0.000 1.045 78 T CB 0.731 69.691 68.868 0.152 0.000 0.902 78 T HN 0.621 nan 8.240 nan 0.000 0.500 79 L N 2.790 124.137 121.223 0.206 0.000 2.043 79 L HA -0.162 4.177 4.340 -0.001 0.000 0.212 79 L C 2.809 179.894 176.870 0.359 0.000 1.075 79 L CA 1.518 56.520 54.840 0.269 0.000 0.752 79 L CB -0.668 41.449 42.059 0.096 0.000 0.891 79 L HN 0.714 nan 8.230 nan 0.000 0.432 80 S N -1.590 114.243 115.700 0.221 0.000 2.547 80 S HA -0.147 4.323 4.470 -0.001 0.000 0.235 80 S C 1.343 175.996 174.600 0.089 0.000 0.980 80 S CA 0.912 59.206 58.200 0.156 0.000 0.941 80 S CB -0.417 62.849 63.200 0.110 0.000 0.763 80 S HN 0.357 nan 8.310 nan 0.000 0.532 81 D N 1.774 122.235 120.400 0.102 0.000 2.263 81 D HA 0.060 4.700 4.640 -0.001 0.000 0.208 81 D C 0.757 176.852 176.300 -0.341 0.000 0.971 81 D CA 1.126 55.057 54.000 -0.113 0.000 0.867 81 D CB 0.024 40.742 40.800 -0.137 0.000 0.929 81 D HN 0.569 nan 8.370 nan 0.000 0.492 82 K N 0.270 120.480 120.400 -0.317 0.000 2.805 82 K HA 0.159 4.479 4.320 -0.001 0.000 0.276 82 K C -1.478 175.152 176.600 0.050 0.000 1.209 82 K CA -0.236 55.870 56.287 -0.303 0.000 1.065 82 K CB 0.911 32.988 32.500 -0.704 0.000 1.363 82 K HN -0.297 nan 8.250 nan 0.000 0.546 83 V N 3.277 123.239 119.914 0.079 0.000 2.485 83 V HA 0.082 4.202 4.120 -0.001 0.000 0.287 83 V C -0.002 176.148 176.094 0.092 0.000 1.022 83 V CA 0.494 62.878 62.300 0.141 0.000 1.067 83 V CB 0.775 32.675 31.823 0.128 0.000 0.967 83 V HN 0.633 nan 8.190 nan 0.000 0.479 84 E N 3.672 123.927 120.200 0.091 0.000 2.244 84 E HA 0.445 4.794 4.350 -0.001 0.000 0.260 84 E C -1.477 174.966 176.600 -0.261 0.000 0.884 84 E CA -0.477 55.859 56.400 -0.106 0.000 0.777 84 E CB 1.755 31.487 29.700 0.052 0.000 1.197 84 E HN 0.669 nan 8.360 nan 0.000 0.416 85 C N 3.012 122.067 119.300 -0.409 0.000 2.340 85 C HA 0.366 4.825 4.460 -0.001 0.000 0.323 85 C C -0.082 174.625 174.990 -0.471 0.000 1.260 85 C CA -0.567 58.302 59.018 -0.249 0.000 1.464 85 C CB -0.379 27.393 27.740 0.052 0.000 2.156 85 C HN 0.850 nan 8.230 nan 0.000 0.476 86 Y N 1.302 121.675 120.300 0.121 0.000 2.557 86 Y HA 0.293 4.842 4.550 -0.001 0.000 0.247 86 Y C 1.257 177.206 175.900 0.081 0.000 1.164 86 Y CA -0.070 58.084 58.100 0.090 0.000 1.218 86 Y CB 0.223 38.726 38.460 0.072 0.000 1.210 86 Y HN 0.696 nan 8.280 nan 0.000 0.529 87 S N -1.304 114.502 115.700 0.178 0.000 2.537 87 S HA 0.268 4.737 4.470 -0.001 0.000 0.270 87 S C 0.434 175.123 174.600 0.149 0.000 1.142 87 S CA -0.974 57.313 58.200 0.146 0.000 0.870 87 S CB 2.089 65.367 63.200 0.130 0.000 1.112 87 S HN 0.139 nan 8.310 nan 0.000 0.466 88 K N 1.300 121.775 120.400 0.126 0.000 2.074 88 K HA -0.106 4.213 4.320 -0.001 0.000 0.209 88 K C 1.668 178.384 176.600 0.193 0.000 1.048 88 K CA 1.790 58.154 56.287 0.129 0.000 0.926 88 K CB -0.642 31.913 32.500 0.091 0.000 0.713 88 K HN 0.804 nan 8.250 nan 0.000 0.444 89 A N 0.700 123.637 122.820 0.195 0.000 2.251 89 A HA 0.058 4.377 4.320 -0.001 0.000 0.209 89 A C 0.694 178.476 177.584 0.330 0.000 1.187 89 A CA 0.661 52.848 52.037 0.251 0.000 0.823 89 A CB -0.121 18.963 19.000 0.140 0.000 0.846 89 A HN 0.559 nan 8.150 nan 0.000 0.486 90 T N -3.185 111.534 114.554 0.274 0.000 2.887 90 T HA 0.683 5.033 4.350 -0.001 0.000 0.292 90 T C -0.673 174.059 174.700 0.053 0.000 1.087 90 T CA -0.744 61.401 62.100 0.076 0.000 1.009 90 T CB 1.487 70.383 68.868 0.047 0.000 1.203 90 T HN 0.390 nan 8.240 nan 0.000 0.518 91 I N 0.619 121.087 120.570 -0.171 0.000 2.582 91 I HA 0.624 4.793 4.170 -0.001 0.000 0.292 91 I C -1.179 174.966 176.117 0.047 0.000 1.066 91 I CA -0.612 60.641 61.300 -0.079 0.000 1.053 91 I CB 2.149 39.940 38.000 -0.348 0.000 1.241 91 I HN 0.787 nan 8.210 nan 0.000 0.421 92 S N 6.344 122.120 115.700 0.127 0.000 2.454 92 S HA 0.283 4.753 4.470 -0.001 0.000 0.306 92 S C -0.550 174.189 174.600 0.232 0.000 1.100 92 S CA -0.488 57.835 58.200 0.206 0.000 1.087 92 S CB 1.257 64.662 63.200 0.342 0.000 1.019 92 S HN 0.761 nan 8.310 nan 0.000 0.480 93 C N 6.219 125.650 119.300 0.219 0.000 2.611 93 C HA 0.106 4.566 4.460 -0.001 0.000 0.416 93 C C 1.951 177.006 174.990 0.107 0.000 1.366 93 C CA -0.468 58.606 59.018 0.094 0.000 1.761 93 C CB -0.799 26.959 27.740 0.029 0.000 2.619 93 C HN 1.039 nan 8.230 nan 0.000 0.606 94 W N 4.966 126.368 121.300 0.170 0.000 2.825 94 W HA -0.029 4.630 4.660 -0.001 0.000 0.243 94 W C 1.220 177.828 176.519 0.148 0.000 1.293 94 W CA 0.131 57.563 57.345 0.144 0.000 1.403 94 W CB -1.098 28.409 29.460 0.078 0.000 1.134 94 W HN 0.834 nan 8.180 nan 0.000 0.666 95 Y N 1.977 122.046 120.300 -0.386 0.000 2.222 95 Y HA 0.005 4.554 4.550 -0.001 0.000 0.290 95 Y C 1.308 176.930 175.900 -0.464 0.000 1.123 95 Y CA 1.344 59.156 58.100 -0.479 0.000 1.120 95 Y CB -0.782 37.185 38.460 -0.822 0.000 1.060 95 Y HN -0.031 nan 8.280 nan 0.000 0.508 96 H N -1.297 117.809 119.070 0.060 0.000 2.662 96 H HA 0.390 4.945 4.556 -0.001 0.000 0.268 96 H C 1.247 176.665 175.328 0.149 0.000 1.152 96 H CA 0.172 56.250 56.048 0.051 0.000 1.072 96 H CB 0.344 30.080 29.762 -0.044 0.000 1.660 96 H HN 0.385 nan 8.280 nan 0.000 0.584 97 G N 0.385 109.324 108.800 0.232 0.000 2.203 97 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.263 97 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.263 97 G C -0.371 174.660 174.900 0.219 0.000 1.012 97 G CA -0.163 45.065 45.100 0.213 0.000 0.749 97 G HN 0.282 nan 8.290 nan 0.000 0.512 98 W N 0.750 121.998 121.300 -0.085 0.000 2.322 98 W HA 0.503 5.162 4.660 -0.001 0.000 0.328 98 W C 0.805 177.084 176.519 -0.398 0.000 1.395 98 W CA 0.336 57.515 57.345 -0.277 0.000 1.267 98 W CB 0.433 29.733 29.460 -0.266 0.000 1.259 98 W HN 0.059 nan 8.180 nan 0.000 0.560 99 T N 5.093 119.442 114.554 -0.341 0.000 2.779 99 T HA 0.457 4.807 4.350 -0.001 0.000 0.280 99 T C -1.109 173.322 174.700 -0.449 0.000 0.987 99 T CA -0.397 61.538 62.100 -0.274 0.000 0.966 99 T CB 0.452 69.265 68.868 -0.091 0.000 0.933 99 T HN 0.030 nan 8.240 nan 0.000 0.442 100 Y N 0.937 121.198 120.300 -0.064 0.000 2.485 100 Y HA 0.559 5.108 4.550 -0.001 0.000 0.345 100 Y C 0.792 176.573 175.900 -0.197 0.000 0.998 100 Y CA -1.429 56.604 58.100 -0.112 0.000 1.059 100 Y CB 1.284 39.667 38.460 -0.128 0.000 1.234 100 Y HN 0.329 nan 8.280 nan 0.000 0.461 101 R N 0.944 121.459 120.500 0.025 0.000 2.441 101 R HA 0.060 4.399 4.340 -0.001 0.000 0.284 101 R C -0.109 176.165 176.300 -0.045 0.000 1.070 101 R CA -0.200 55.892 56.100 -0.013 0.000 1.047 101 R CB 0.683 30.997 30.300 0.023 0.000 1.016 101 R HN 0.902 nan 8.270 nan 0.000 0.477 102 W N 1.211 122.500 121.300 -0.018 0.000 2.388 102 W HA -0.161 4.499 4.660 -0.001 0.000 0.294 102 W C 1.889 178.264 176.519 -0.239 0.000 1.212 102 W CA 1.118 58.424 57.345 -0.066 0.000 1.271 102 W CB -0.024 29.404 29.460 -0.053 0.000 1.126 102 W HN 0.712 nan 8.180 nan 0.000 0.535 103 D N -0.093 120.191 120.400 -0.194 0.000 2.183 103 D HA -0.164 4.475 4.640 -0.001 0.000 0.203 103 D C 1.124 177.424 176.300 -0.001 0.000 0.969 103 D CA 1.668 55.484 54.000 -0.307 0.000 0.842 103 D CB -0.999 39.635 40.800 -0.276 0.000 0.957 103 D HN 0.313 nan 8.370 nan 0.000 0.484 104 N N -1.956 116.759 118.700 0.026 0.000 2.118 104 N HA 0.169 4.908 4.740 -0.001 0.000 0.226 104 N C 1.488 177.036 175.510 0.063 0.000 1.305 104 N CA 0.288 53.370 53.050 0.054 0.000 0.890 104 N CB 0.317 38.829 38.487 0.042 0.000 1.118 104 N HN 0.229 nan 8.380 nan 0.000 0.511 105 G N 0.737 109.575 108.800 0.063 0.000 2.175 105 G HA2 -0.421 3.538 3.960 -0.001 0.000 0.265 105 G HA3 -0.421 3.538 3.960 -0.001 0.000 0.265 105 G C -0.012 174.979 174.900 0.152 0.000 0.979 105 G CA 0.792 45.933 45.100 0.069 0.000 0.663 105 G HN 0.707 nan 8.290 nan 0.000 0.533 106 K N 0.063 120.534 120.400 0.119 0.000 2.401 106 K HA 0.383 4.702 4.320 -0.001 0.000 0.278 106 K C 0.506 177.182 176.600 0.128 0.000 1.018 106 K CA -0.804 55.555 56.287 0.119 0.000 0.981 106 K CB 0.253 32.782 32.500 0.048 0.000 0.933 106 K HN 0.216 nan 8.250 nan 0.000 0.477 107 L N 6.613 127.899 121.223 0.105 0.000 2.401 107 L HA 0.074 4.414 4.340 -0.001 0.000 0.283 107 L C 0.158 176.933 176.870 -0.159 0.000 1.151 107 L CA 0.316 55.081 54.840 -0.125 0.000 0.942 107 L CB 0.645 42.641 42.059 -0.106 0.000 1.283 107 L HN 0.614 nan 8.230 nan 0.000 0.442 108 V N 3.123 122.944 119.914 -0.155 0.000 3.052 108 V HA 0.202 4.321 4.120 -0.001 0.000 0.254 108 V C 0.401 176.402 176.094 -0.155 0.000 1.100 108 V CA 0.743 62.970 62.300 -0.121 0.000 1.112 108 V CB -0.543 31.240 31.823 -0.067 0.000 0.738 108 V HN 0.747 nan 8.190 nan 0.000 0.469 109 D N -1.285 118.988 120.400 -0.212 0.000 2.622 109 D HA 0.486 5.125 4.640 -0.001 0.000 0.255 109 D C -1.109 175.019 176.300 -0.287 0.000 1.246 109 D CA -0.371 53.504 54.000 -0.207 0.000 0.795 109 D CB 3.000 43.727 40.800 -0.122 0.000 1.369 109 D HN -0.044 nan 8.370 nan 0.000 0.425 110 I N 2.522 122.931 120.570 -0.269 0.000 2.542 110 I HA 0.037 4.206 4.170 -0.001 0.000 0.278 110 I C 0.945 176.980 176.117 -0.138 0.000 1.069 110 I CA -0.514 60.616 61.300 -0.284 0.000 1.100 110 I CB 1.756 39.462 38.000 -0.489 0.000 1.204 110 I HN 0.161 nan 8.210 nan 0.000 0.470 111 L N 3.873 125.058 121.223 -0.063 0.000 2.089 111 L HA -0.210 4.129 4.340 -0.001 0.000 0.213 111 L C 2.680 179.532 176.870 -0.030 0.000 1.079 111 L CA 2.466 57.281 54.840 -0.040 0.000 0.758 111 L CB -1.208 40.840 42.059 -0.018 0.000 0.891 111 L HN 0.735 nan 8.230 nan 0.000 0.433 112 T N -4.237 110.318 114.554 0.002 0.000 3.113 112 T HA 0.032 4.381 4.350 -0.001 0.000 0.256 112 T C 0.784 175.475 174.700 -0.015 0.000 1.131 112 T CA 0.494 62.604 62.100 0.017 0.000 1.074 112 T CB -0.259 68.658 68.868 0.083 0.000 0.944 112 T HN 0.248 nan 8.240 nan 0.000 0.516 113 N N 1.049 119.713 118.700 -0.059 0.000 3.153 113 N HA 0.217 4.956 4.740 -0.001 0.000 0.208 113 N C -2.668 172.772 175.510 -0.116 0.000 1.462 113 N CA -1.487 51.516 53.050 -0.078 0.000 0.754 113 N CB 1.422 39.861 38.487 -0.079 0.000 1.558 113 N HN -0.099 nan 8.380 nan 0.000 0.605 114 P HA -0.046 nan 4.420 nan 0.000 0.231 114 P C 0.724 177.962 177.300 -0.103 0.000 1.158 114 P CA 0.978 64.015 63.100 -0.105 0.000 0.763 114 P CB 0.100 31.754 31.700 -0.077 0.000 0.805 115 T N -5.099 109.399 114.554 -0.094 0.000 3.086 115 T HA 0.105 4.454 4.350 -0.001 0.000 0.250 115 T C 0.933 175.573 174.700 -0.099 0.000 1.074 115 T CA -0.232 61.818 62.100 -0.084 0.000 0.988 115 T CB -0.644 68.187 68.868 -0.062 0.000 0.988 115 T HN -0.029 nan 8.240 nan 0.000 0.530 116 S N 0.834 116.455 115.700 -0.133 0.000 2.552 116 S HA 0.103 4.572 4.470 -0.001 0.000 0.289 116 S C 1.328 175.838 174.600 -0.150 0.000 1.304 116 S CA -0.267 57.841 58.200 -0.152 0.000 1.063 116 S CB 0.951 64.011 63.200 -0.234 0.000 0.848 116 S HN 0.314 nan 8.310 nan 0.000 0.499 117 V N 5.254 125.101 119.914 -0.112 0.000 3.305 117 V HA -0.022 4.097 4.120 -0.001 0.000 0.269 117 V C 1.817 177.845 176.094 -0.110 0.000 1.157 117 V CA 1.410 63.653 62.300 -0.095 0.000 1.157 117 V CB -0.450 31.337 31.823 -0.060 0.000 0.772 117 V HN 0.867 nan 8.190 nan 0.000 0.498 118 Q N 0.156 119.868 119.800 -0.147 0.000 2.311 118 Q HA 0.177 4.516 4.340 -0.001 0.000 0.203 118 Q C 0.942 176.817 176.000 -0.209 0.000 0.954 118 Q CA 0.447 56.172 55.803 -0.130 0.000 0.885 118 Q CB -0.151 28.448 28.738 -0.232 0.000 0.963 118 Q HN 0.584 nan 8.270 nan 0.000 0.471 119 I N 0.974 121.374 120.570 -0.283 0.000 2.752 119 I HA -0.096 4.073 4.170 -0.001 0.000 0.289 119 I C 1.330 177.336 176.117 -0.185 0.000 1.197 119 I CA 1.126 62.262 61.300 -0.272 0.000 1.432 119 I CB 0.145 37.998 38.000 -0.245 0.000 1.359 119 I HN 0.412 nan 8.210 nan 0.000 0.571 120 G N 5.322 114.025 108.800 -0.161 0.000 2.189 120 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.267 120 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.267 120 G C 1.019 175.834 174.900 -0.142 0.000 0.975 120 G CA -0.111 44.917 45.100 -0.121 0.000 0.644 120 G HN 0.619 nan 8.290 nan 0.000 0.537 121 R N 0.114 120.484 120.500 -0.217 0.000 2.397 121 R HA 0.244 4.583 4.340 -0.001 0.000 0.241 121 R C 0.431 176.350 176.300 -0.635 0.000 0.914 121 R CA 0.376 56.232 56.100 -0.407 0.000 1.071 121 R CB 0.250 30.247 30.300 -0.505 0.000 1.116 121 R HN 0.669 nan 8.270 nan 0.000 0.524 122 H N -0.955 118.116 119.070 0.003 0.000 2.977 122 H HA 0.708 5.263 4.556 -0.001 0.000 0.350 122 H C -0.995 174.396 175.328 0.106 0.000 1.238 122 H CA -1.003 55.090 56.048 0.074 0.000 1.124 122 H CB 2.380 32.232 29.762 0.150 0.000 1.866 122 H HN 0.004 nan 8.280 nan 0.000 0.550 123 A N 1.589 124.569 122.820 0.266 0.000 2.540 123 A HA 0.404 4.724 4.320 -0.001 0.000 0.297 123 A C -1.374 176.295 177.584 0.142 0.000 1.056 123 A CA -0.620 51.540 52.037 0.204 0.000 0.700 123 A CB 1.441 20.509 19.000 0.114 0.000 1.280 123 A HN 0.297 nan 8.150 nan 0.000 0.398 124 L N 1.482 122.751 121.223 0.076 0.000 2.473 124 L HA 0.266 4.606 4.340 -0.001 0.000 0.268 124 L C 1.042 177.908 176.870 -0.007 0.000 1.215 124 L CA 0.504 55.311 54.840 -0.056 0.000 0.823 124 L CB 0.320 42.236 42.059 -0.238 0.000 1.099 124 L HN 0.798 nan 8.230 nan 0.000 0.483 125 K N 0.770 121.160 120.400 -0.017 0.000 2.326 125 K HA 0.300 4.620 4.320 -0.001 0.000 0.275 125 K C -0.506 176.084 176.600 -0.017 0.000 1.018 125 K CA -0.295 55.962 56.287 -0.051 0.000 0.962 125 K CB 0.560 32.993 32.500 -0.112 0.000 0.953 125 K HN 0.806 nan 8.250 nan 0.000 0.475 126 T N 0.575 115.102 114.554 -0.045 0.000 2.912 126 T HA 0.384 4.734 4.350 -0.001 0.000 0.288 126 T C -0.991 173.697 174.700 -0.021 0.000 1.030 126 T CA -0.752 61.398 62.100 0.084 0.000 1.020 126 T CB 0.666 69.606 68.868 0.121 0.000 1.056 126 T HN 0.400 nan 8.240 nan 0.000 0.480 127 Y N 1.094 121.469 120.300 0.125 0.000 2.335 127 Y HA 0.489 5.038 4.550 -0.001 0.000 0.338 127 Y C -2.373 173.624 175.900 0.161 0.000 0.977 127 Y CA -2.590 55.584 58.100 0.124 0.000 1.114 127 Y CB 1.341 39.870 38.460 0.115 0.000 1.182 127 Y HN 0.506 nan 8.280 nan 0.000 0.463 128 P HA 0.070 nan 4.420 nan 0.000 0.266 128 P C -0.934 176.631 177.300 0.442 0.000 1.195 128 P CA 0.121 63.378 63.100 0.262 0.000 0.768 128 P CB 0.690 32.441 31.700 0.085 0.000 0.838 129 V N 5.050 125.230 119.914 0.443 0.000 2.680 129 V HA 0.582 4.702 4.120 -0.001 0.000 0.309 129 V C 0.016 176.297 176.094 0.313 0.000 1.052 129 V CA -0.590 61.967 62.300 0.428 0.000 0.908 129 V CB 2.200 34.156 31.823 0.222 0.000 1.001 129 V HN 0.426 nan 8.190 nan 0.000 0.431 130 R N 2.466 123.103 120.500 0.228 0.000 2.538 130 R HA 0.471 4.810 4.340 -0.001 0.000 0.292 130 R C -0.986 175.367 176.300 0.089 0.000 1.008 130 R CA -0.557 55.516 56.100 -0.044 0.000 0.896 130 R CB 2.282 32.262 30.300 -0.533 0.000 1.187 130 R HN 0.904 nan 8.270 nan 0.000 0.440 131 E N 2.700 122.920 120.200 0.033 0.000 2.145 131 E HA 0.250 4.600 4.350 -0.001 0.000 0.262 131 E C -0.952 175.667 176.600 0.032 0.000 0.883 131 E CA -0.319 56.122 56.400 0.068 0.000 0.748 131 E CB 0.966 30.672 29.700 0.009 0.000 1.140 131 E HN 0.305 nan 8.360 nan 0.000 0.417 132 E N 3.153 123.420 120.200 0.113 0.000 2.383 132 E HA 0.226 4.576 4.350 -0.001 0.000 0.275 132 E C -0.647 175.993 176.600 0.067 0.000 0.918 132 E CA -0.950 55.467 56.400 0.028 0.000 0.764 132 E CB 1.574 31.241 29.700 -0.055 0.000 1.252 132 E HN 0.388 nan 8.360 nan 0.000 0.449 133 K N 0.353 120.703 120.400 -0.083 0.000 3.012 133 K HA -0.234 4.085 4.320 -0.001 0.000 0.259 133 K C 0.671 177.221 176.600 -0.084 0.000 0.989 133 K CA 1.085 57.274 56.287 -0.163 0.000 0.728 133 K CB -2.029 30.241 32.500 -0.383 0.000 1.260 133 K HN 1.095 nan 8.250 nan 0.000 0.480 134 G N -0.669 108.092 108.800 -0.064 0.000 2.160 134 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.251 134 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.251 134 G C -0.001 174.865 174.900 -0.058 0.000 1.008 134 G CA 0.564 45.629 45.100 -0.059 0.000 0.724 134 G HN 0.303 nan 8.290 nan 0.000 0.514 135 L N -0.313 120.881 121.223 -0.049 0.000 2.401 135 L HA 0.700 5.039 4.340 -0.001 0.000 0.266 135 L C 0.422 177.196 176.870 -0.160 0.000 0.991 135 L CA -1.525 53.197 54.840 -0.198 0.000 0.818 135 L CB 2.456 44.240 42.059 -0.458 0.000 1.321 135 L HN 0.214 nan 8.230 nan 0.000 0.413 136 V N -0.938 118.841 119.914 -0.225 0.000 2.350 136 V HA 0.518 4.637 4.120 -0.001 0.000 0.276 136 V C -0.654 175.348 176.094 -0.152 0.000 1.028 136 V CA -0.319 61.929 62.300 -0.088 0.000 0.860 136 V CB 0.562 32.351 31.823 -0.058 0.000 0.990 136 V HN 0.403 nan 8.190 nan 0.000 0.453 137 F N 4.870 124.841 119.950 0.035 0.000 2.421 137 F HA 0.736 5.262 4.527 -0.001 0.000 0.337 137 F C 0.199 176.230 175.800 0.385 0.000 1.105 137 F CA -0.681 57.416 58.000 0.161 0.000 1.049 137 F CB 1.763 40.837 39.000 0.123 0.000 1.139 137 F HN 0.377 nan 8.300 nan 0.000 0.479 138 L N 3.310 124.888 121.223 0.590 0.000 2.362 138 L HA 0.438 4.777 4.340 -0.001 0.000 0.271 138 L C -1.098 176.030 176.870 0.430 0.000 1.002 138 L CA -0.918 54.216 54.840 0.489 0.000 0.818 138 L CB 2.107 44.303 42.059 0.228 0.000 1.298 138 L HN 0.471 nan 8.230 nan 0.000 0.420 139 F N 3.021 122.902 119.950 -0.115 0.000 2.405 139 F HA 0.471 4.997 4.527 -0.001 0.000 0.355 139 F C -0.344 175.398 175.800 -0.096 0.000 1.121 139 F CA -0.519 57.122 58.000 -0.598 0.000 1.112 139 F CB 1.210 39.352 39.000 -1.431 0.000 1.126 139 F HN 0.016 nan 8.300 nan 0.000 0.481 140 V N 6.773 126.389 119.914 -0.496 0.000 2.311 140 V HA 0.834 4.954 4.120 -0.001 0.000 0.275 140 V C 0.246 176.048 176.094 -0.486 0.000 1.022 140 V CA 0.116 62.293 62.300 -0.204 0.000 0.830 140 V CB 0.233 32.063 31.823 0.012 0.000 1.012 140 V HN 1.063 nan 8.190 nan 0.000 0.452 141 G N 3.243 111.855 108.800 -0.315 0.000 2.340 141 G HA2 0.330 4.290 3.960 -0.001 0.000 0.299 141 G HA3 0.330 4.290 3.960 -0.001 0.000 0.299 141 G C -0.733 174.174 174.900 0.012 0.000 1.291 141 G CA -0.278 44.716 45.100 -0.177 0.000 0.841 141 G HN 0.366 nan 8.290 nan 0.000 0.500 142 D N -0.201 120.238 120.400 0.065 0.000 2.474 142 D HA 0.080 4.719 4.640 -0.001 0.000 0.213 142 D C 0.884 177.231 176.300 0.078 0.000 1.120 142 D CA 0.324 54.355 54.000 0.051 0.000 0.836 142 D CB 1.060 41.874 40.800 0.024 0.000 1.019 142 D HN 0.620 nan 8.370 nan 0.000 0.507 143 Q N 0.584 120.472 119.800 0.146 0.000 2.204 143 Q HA 0.348 4.687 4.340 -0.001 0.000 0.254 143 Q C 0.032 176.043 176.000 0.018 0.000 0.981 143 Q CA -0.725 55.133 55.803 0.092 0.000 0.897 143 Q CB 1.678 30.479 28.738 0.105 0.000 1.273 143 Q HN -0.229 nan 8.270 nan 0.000 0.464 144 E N 1.711 121.877 120.200 -0.056 0.000 2.465 144 E HA 0.074 4.424 4.350 -0.001 0.000 0.260 144 E C -2.065 174.318 176.600 -0.362 0.000 0.980 144 E CA -1.124 55.177 56.400 -0.164 0.000 0.927 144 E CB 0.451 30.101 29.700 -0.082 0.000 0.934 144 E HN 0.403 nan 8.360 nan 0.000 0.459 145 P HA 0.028 nan 4.420 nan 0.000 0.271 145 P C -0.329 176.728 177.300 -0.404 0.000 1.216 145 P CA 0.192 62.588 63.100 -1.174 0.000 0.776 145 P CB 0.452 31.434 31.700 -1.196 0.000 0.881 146 H N -0.057 118.963 119.070 -0.084 0.000 2.497 146 H HA 0.351 4.906 4.556 -0.001 0.000 0.348 146 H C -0.368 175.091 175.328 0.218 0.000 1.335 146 H CA -0.735 55.361 56.048 0.080 0.000 1.395 146 H CB 0.208 30.036 29.762 0.110 0.000 1.658 146 H HN 0.304 nan 8.280 nan 0.000 0.613 147 D N 0.704 121.244 120.400 0.232 0.000 2.443 147 D HA -0.066 4.573 4.640 -0.001 0.000 0.239 147 D C 1.505 177.823 176.300 0.029 0.000 1.136 147 D CA -0.248 53.795 54.000 0.072 0.000 0.879 147 D CB 1.525 42.339 40.800 0.023 0.000 1.195 147 D HN 0.405 nan 8.370 nan 0.000 0.443 148 L N 3.125 124.125 121.223 -0.372 0.000 2.127 148 L HA -0.195 4.144 4.340 -0.001 0.000 0.211 148 L C 2.044 178.753 176.870 -0.269 0.000 1.089 148 L CA 1.961 56.391 54.840 -0.683 0.000 0.757 148 L CB -0.684 40.765 42.059 -1.017 0.000 0.899 148 L HN 0.501 nan 8.230 nan 0.000 0.434 149 A N -0.849 121.867 122.820 -0.172 0.000 2.032 149 A HA -0.245 4.074 4.320 -0.001 0.000 0.221 149 A C 2.157 179.724 177.584 -0.028 0.000 1.165 149 A CA 1.912 53.889 52.037 -0.100 0.000 0.645 149 A CB -0.625 18.324 19.000 -0.085 0.000 0.807 149 A HN 0.667 nan 8.150 nan 0.000 0.453 150 E N -0.610 119.638 120.200 0.079 0.000 2.347 150 E HA -0.098 4.251 4.350 -0.001 0.000 0.196 150 E C 0.196 176.907 176.600 0.185 0.000 1.008 150 E CA 0.728 57.205 56.400 0.128 0.000 0.852 150 E CB 0.019 29.824 29.700 0.174 0.000 0.783 150 E HN 0.503 nan 8.360 nan 0.000 0.505 151 D N 0.272 120.809 120.400 0.228 0.000 2.462 151 D HA 0.048 4.687 4.640 -0.001 0.000 0.221 151 D C -0.078 176.320 176.300 0.164 0.000 1.173 151 D CA 0.171 54.337 54.000 0.276 0.000 0.831 151 D CB 0.978 42.064 40.800 0.477 0.000 1.001 151 D HN -0.004 nan 8.370 nan 0.000 0.499 152 V N -2.866 117.061 119.914 0.022 0.000 3.040 152 V HA 0.684 4.804 4.120 -0.001 0.000 0.312 152 V C -2.940 172.992 176.094 -0.271 0.000 1.115 152 V CA -2.638 59.626 62.300 -0.062 0.000 0.998 152 V CB 2.242 34.064 31.823 -0.002 0.000 1.042 152 V HN -0.321 nan 8.190 nan 0.000 0.433 153 P HA 0.284 nan 4.420 nan 0.000 0.268 153 P C -2.733 174.297 177.300 -0.451 0.000 1.208 153 P CA -0.722 61.973 63.100 -0.675 0.000 0.777 153 P CB -0.409 31.175 31.700 -0.194 0.000 0.875 154 P HA 0.051 nan 4.420 nan 0.000 0.265 154 P C 0.982 178.262 177.300 -0.033 0.000 1.193 154 P CA 1.331 64.255 63.100 -0.294 0.000 0.765 154 P CB 0.080 31.620 31.700 -0.267 0.000 0.823 155 G N 2.238 111.035 108.800 -0.006 0.000 2.225 155 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.254 155 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.254 155 G C 0.847 175.780 174.900 0.055 0.000 0.988 155 G CA 0.207 45.339 45.100 0.053 0.000 0.625 155 G HN 0.503 nan 8.290 nan 0.000 0.527 156 F N 1.102 120.967 119.950 -0.142 0.000 2.216 156 F HA 0.255 4.782 4.527 -0.001 0.000 0.300 156 F C 2.147 177.802 175.800 -0.243 0.000 1.085 156 F CA 1.860 59.640 58.000 -0.367 0.000 1.326 156 F CB -0.018 38.700 39.000 -0.470 0.000 1.027 156 F HN 0.198 nan 8.300 nan 0.000 0.497 157 L N -0.084 121.030 121.223 -0.181 0.000 2.629 157 L HA 0.093 4.432 4.340 -0.001 0.000 0.230 157 L C -0.228 176.523 176.870 -0.198 0.000 1.151 157 L CA -0.343 54.356 54.840 -0.235 0.000 0.924 157 L CB -0.746 41.226 42.059 -0.144 0.000 1.137 157 L HN -0.163 nan 8.230 nan 0.000 0.457 158 D N 1.099 121.397 120.400 -0.170 0.000 2.493 158 D HA 0.025 4.665 4.640 -0.001 0.000 0.240 158 D C 1.205 177.423 176.300 -0.138 0.000 1.142 158 D CA 0.433 54.360 54.000 -0.121 0.000 0.872 158 D CB 1.570 42.321 40.800 -0.081 0.000 1.173 158 D HN 0.118 nan 8.370 nan 0.000 0.467 159 A N 3.655 126.410 122.820 -0.107 0.000 1.948 159 A HA -0.221 4.098 4.320 -0.001 0.000 0.220 159 A C 1.502 179.028 177.584 -0.095 0.000 1.177 159 A CA 1.776 53.752 52.037 -0.100 0.000 0.636 159 A CB -0.222 18.733 19.000 -0.075 0.000 0.815 159 A HN 0.693 nan 8.150 nan 0.000 0.449 160 D N -1.108 119.242 120.400 -0.083 0.000 2.328 160 D HA 0.034 4.673 4.640 -0.001 0.000 0.226 160 D C 0.375 176.622 176.300 -0.089 0.000 1.066 160 D CA -0.093 53.864 54.000 -0.073 0.000 0.861 160 D CB -0.248 40.519 40.800 -0.055 0.000 0.912 160 D HN 0.316 nan 8.370 nan 0.000 0.521 161 L N 1.755 122.906 121.223 -0.121 0.000 2.261 161 L HA 0.490 4.829 4.340 -0.001 0.000 0.289 161 L C -0.516 176.257 176.870 -0.162 0.000 1.059 161 L CA -0.268 54.489 54.840 -0.139 0.000 0.816 161 L CB 0.855 42.818 42.059 -0.159 0.000 1.191 161 L HN -0.059 nan 8.230 nan 0.000 0.431 162 A N 5.838 128.588 122.820 -0.117 0.000 2.320 162 A HA 0.607 4.926 4.320 -0.001 0.000 0.287 162 A C -0.536 177.029 177.584 -0.032 0.000 1.181 162 A CA -0.394 51.603 52.037 -0.068 0.000 0.831 162 A CB 0.815 19.876 19.000 0.101 0.000 1.102 162 A HN 0.518 nan 8.150 nan 0.000 0.513 163 V N 4.271 124.039 119.914 -0.243 0.000 2.735 163 V HA 0.564 4.683 4.120 -0.001 0.000 0.310 163 V C -0.511 175.188 176.094 -0.658 0.000 1.061 163 V CA -0.641 61.518 62.300 -0.236 0.000 0.913 163 V CB 1.835 33.525 31.823 -0.222 0.000 1.005 163 V HN 0.989 nan 8.190 nan 0.000 0.428 164 H N 1.309 120.221 119.070 -0.264 0.000 3.016 164 H HA 0.834 5.390 4.556 -0.001 0.000 0.362 164 H C 0.022 174.993 175.328 -0.594 0.000 1.233 164 H CA -0.013 55.606 56.048 -0.714 0.000 1.124 164 H CB 2.539 31.321 29.762 -1.634 0.000 1.850 164 H HN 0.979 nan 8.280 nan 0.000 0.549 165 G N 0.072 108.771 108.800 -0.168 0.000 2.548 165 G HA2 0.502 4.461 3.960 -0.001 0.000 0.301 165 G HA3 0.502 4.461 3.960 -0.001 0.000 0.301 165 G C -1.785 173.280 174.900 0.276 0.000 1.349 165 G CA -0.855 44.388 45.100 0.238 0.000 0.792 165 G HN 0.658 nan 8.290 nan 0.000 0.481 166 Q N -1.506 118.407 119.800 0.190 0.000 2.534 166 Q HA 0.733 5.073 4.340 -0.001 0.000 0.290 166 Q C -1.418 174.575 176.000 -0.012 0.000 0.991 166 Q CA -1.115 54.697 55.803 0.015 0.000 0.783 166 Q CB 2.263 31.020 28.738 0.033 0.000 1.470 166 Q HN 1.019 nan 8.270 nan 0.000 0.406 167 H N -1.384 117.691 119.070 0.008 0.000 2.980 167 H HA 0.838 5.394 4.556 -0.001 0.000 0.367 167 H C -1.299 174.044 175.328 0.025 0.000 1.206 167 H CA -0.967 55.075 56.048 -0.011 0.000 1.126 167 H CB 1.642 31.398 29.762 -0.010 0.000 1.838 167 H HN 1.002 nan 8.280 nan 0.000 0.552 168 R N 0.459 121.123 120.500 0.273 0.000 2.739 168 R HA 0.644 4.983 4.340 -0.001 0.000 0.271 168 R C -1.520 174.892 176.300 0.188 0.000 1.010 168 R CA -1.027 55.205 56.100 0.220 0.000 0.897 168 R CB 1.770 32.181 30.300 0.186 0.000 1.236 168 R HN 0.649 nan 8.270 nan 0.000 0.466 169 V N 0.032 120.021 119.914 0.125 0.000 2.439 169 V HA 0.633 4.752 4.120 -0.001 0.000 0.282 169 V C -0.276 175.841 176.094 0.039 0.000 1.039 169 V CA -0.594 61.748 62.300 0.070 0.000 0.913 169 V CB 1.406 33.264 31.823 0.058 0.000 0.983 169 V HN 0.505 nan 8.190 nan 0.000 0.460 170 V N 4.150 124.003 119.914 -0.102 0.000 2.459 170 V HA 0.386 4.505 4.120 -0.001 0.000 0.295 170 V C -0.058 176.000 176.094 -0.060 0.000 1.029 170 V CA -0.409 61.800 62.300 -0.152 0.000 0.874 170 V CB 1.630 33.190 31.823 -0.439 0.000 0.985 170 V HN 0.936 nan 8.190 nan 0.000 0.438 171 D N 4.726 125.135 120.400 0.015 0.000 2.767 171 D HA 0.488 5.127 4.640 -0.001 0.000 0.231 171 D C 0.211 176.467 176.300 -0.073 0.000 1.105 171 D CA 0.540 54.518 54.000 -0.038 0.000 1.024 171 D CB 0.552 41.350 40.800 -0.003 0.000 1.123 171 D HN 0.716 nan 8.370 nan 0.000 0.470 172 A N 1.167 123.987 122.820 0.000 0.000 2.608 172 A HA 0.291 4.610 4.320 -0.001 0.000 0.292 172 A C -0.261 177.454 177.584 0.218 0.000 1.066 172 A CA -0.909 51.174 52.037 0.077 0.000 0.676 172 A CB 1.360 20.434 19.000 0.124 0.000 1.277 172 A HN 0.200 nan 8.150 nan 0.000 0.413 173 N N 1.587 120.342 118.700 0.091 0.000 2.441 173 N HA -0.030 4.710 4.740 -0.001 0.000 0.251 173 N C 1.513 177.028 175.510 0.009 0.000 1.242 173 N CA 0.395 53.498 53.050 0.088 0.000 0.898 173 N CB 0.430 38.900 38.487 -0.029 0.000 1.100 173 N HN 0.888 nan 8.380 nan 0.000 0.443 174 W N 5.169 126.438 121.300 -0.052 0.000 2.331 174 W HA -0.177 4.482 4.660 -0.001 0.000 0.291 174 W C 1.101 177.440 176.519 -0.299 0.000 1.214 174 W CA 0.428 57.613 57.345 -0.266 0.000 1.228 174 W CB -0.738 28.700 29.460 -0.036 0.000 1.135 174 W HN 0.591 nan 8.180 nan 0.000 0.537 175 R N -0.114 119.659 120.500 -1.211 0.000 2.152 175 R HA -0.116 4.223 4.340 -0.001 0.000 0.232 175 R C 2.420 178.391 176.300 -0.548 0.000 1.117 175 R CA 1.688 57.136 56.100 -1.087 0.000 0.981 175 R CB -0.323 29.345 30.300 -1.053 0.000 0.870 175 R HN 0.094 nan 8.270 nan 0.000 0.451 176 M N -0.600 118.733 119.600 -0.444 0.000 2.229 176 M HA -0.009 4.470 4.480 -0.001 0.000 0.264 176 M C 2.216 178.272 176.300 -0.407 0.000 1.063 176 M CA 1.307 56.404 55.300 -0.338 0.000 1.114 176 M CB -1.032 31.459 32.600 -0.183 0.000 1.387 176 M HN 0.261 nan 8.290 nan 0.000 0.420 177 G N -0.117 108.333 108.800 -0.583 0.000 2.404 177 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.215 177 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.215 177 G C 1.605 175.723 174.900 -1.304 0.000 1.174 177 G CA 0.799 45.429 45.100 -0.783 0.000 0.780 177 G HN 0.349 nan 8.290 nan 0.000 0.537 178 V N 0.882 120.110 119.914 -1.143 0.000 2.427 178 V HA -0.117 4.002 4.120 -0.001 0.000 0.248 178 V C 2.720 178.481 176.094 -0.555 0.000 1.051 178 V CA 1.793 63.541 62.300 -0.920 0.000 1.048 178 V CB -0.387 31.175 31.823 -0.435 0.000 0.666 178 V HN 0.301 nan 8.190 nan 0.000 0.456 179 E N 0.570 120.538 120.200 -0.386 0.000 2.077 179 E HA -0.225 4.124 4.350 -0.001 0.000 0.193 179 E C 2.173 178.601 176.600 -0.287 0.000 0.989 179 E CA 1.403 57.660 56.400 -0.237 0.000 0.800 179 E CB -0.512 29.061 29.700 -0.213 0.000 0.746 179 E HN 0.744 nan 8.360 nan 0.000 0.452 180 N N 0.674 119.153 118.700 -0.369 0.000 2.106 180 N HA -0.125 4.615 4.740 -0.001 0.000 0.188 180 N C 2.102 177.363 175.510 -0.414 0.000 1.029 180 N CA 1.383 54.191 53.050 -0.403 0.000 0.848 180 N CB -0.120 38.164 38.487 -0.339 0.000 1.007 180 N HN 0.089 nan 8.380 nan 0.000 0.423 181 G N -0.142 108.468 108.800 -0.317 0.000 2.418 181 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.217 181 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.217 181 G C 1.005 175.930 174.900 0.042 0.000 1.158 181 G CA 0.261 45.326 45.100 -0.057 0.000 0.771 181 G HN 0.403 nan 8.290 nan 0.000 0.545 182 F N 1.556 121.357 119.950 -0.248 0.000 2.660 182 F HA 0.320 4.847 4.527 -0.001 0.000 0.302 182 F C 0.484 176.206 175.800 -0.129 0.000 1.103 182 F CA -1.571 56.303 58.000 -0.209 0.000 1.340 182 F CB 0.158 38.935 39.000 -0.371 0.000 1.048 182 F HN -0.042 nan 8.300 nan 0.000 0.551 183 D N 1.187 121.477 120.400 -0.183 0.000 2.346 183 D HA 0.064 4.703 4.640 -0.001 0.000 0.267 183 D C 1.453 177.737 176.300 -0.027 0.000 1.320 183 D CA 0.543 54.455 54.000 -0.146 0.000 0.951 183 D CB 1.244 41.934 40.800 -0.184 0.000 1.079 183 D HN 0.342 nan 8.370 nan 0.000 0.509 184 A N 3.381 126.059 122.820 -0.236 0.000 1.948 184 A HA -0.072 4.247 4.320 -0.001 0.000 0.220 184 A C 1.551 179.121 177.584 -0.023 0.000 1.177 184 A CA 1.568 53.470 52.037 -0.224 0.000 0.636 184 A CB -0.081 18.719 19.000 -0.332 0.000 0.815 184 A HN 0.578 nan 8.150 nan 0.000 0.449 185 G N -1.312 107.541 108.800 0.088 0.000 4.975 185 G HA2 0.419 4.378 3.960 -0.001 0.000 0.312 185 G HA3 0.419 4.378 3.960 -0.001 0.000 0.312 185 G C 0.284 175.348 174.900 0.273 0.000 1.425 185 G CA 0.498 45.728 45.100 0.217 0.000 1.076 185 G HN 0.718 nan 8.290 nan 0.000 0.586 186 H N -0.273 118.893 119.070 0.160 0.000 2.674 186 H HA 0.043 4.599 4.556 -0.001 0.000 0.274 186 H C 1.528 176.956 175.328 0.167 0.000 1.121 186 H CA 0.502 56.635 56.048 0.140 0.000 1.132 186 H CB -0.301 29.503 29.762 0.070 0.000 1.606 186 H HN 0.212 nan 8.280 nan 0.000 0.558 187 V N -1.610 118.239 119.914 -0.108 0.000 2.546 187 V HA -0.247 3.872 4.120 -0.001 0.000 0.254 187 V C 2.213 178.337 176.094 0.050 0.000 1.076 187 V CA 1.580 63.865 62.300 -0.025 0.000 1.087 187 V CB -1.660 30.190 31.823 0.045 0.000 0.674 187 V HN 0.261 nan 8.190 nan 0.000 0.470 188 F N 0.868 120.780 119.950 -0.064 0.000 2.147 188 F HA -0.192 4.335 4.527 -0.001 0.000 0.301 188 F C 2.067 177.819 175.800 -0.079 0.000 1.084 188 F CA 2.139 60.105 58.000 -0.056 0.000 1.268 188 F CB -0.136 38.843 39.000 -0.035 0.000 1.009 188 F HN 0.191 nan 8.300 nan 0.000 0.486 189 I N -0.869 119.668 120.570 -0.054 0.000 2.830 189 I HA -0.255 3.914 4.170 -0.001 0.000 0.263 189 I C 1.385 177.257 176.117 -0.407 0.000 1.230 189 I CA 0.973 62.128 61.300 -0.241 0.000 1.480 189 I CB -0.370 37.493 38.000 -0.227 0.000 1.095 189 I HN 0.133 nan 8.210 nan 0.000 0.455 190 H N 0.966 119.903 119.070 -0.221 0.000 2.549 190 H HA 0.072 4.627 4.556 -0.001 0.000 0.279 190 H C 1.579 176.808 175.328 -0.165 0.000 1.018 190 H CA 0.165 56.031 56.048 -0.304 0.000 1.175 190 H CB 0.087 29.522 29.762 -0.546 0.000 1.485 190 H HN 0.487 nan 8.280 nan 0.000 0.543 191 K N 0.301 120.632 120.400 -0.115 0.000 2.442 191 K HA -0.022 4.297 4.320 -0.001 0.000 0.199 191 K C 0.849 177.395 176.600 -0.090 0.000 1.044 191 K CA 1.229 57.448 56.287 -0.112 0.000 0.941 191 K CB 0.178 32.521 32.500 -0.263 0.000 0.759 191 K HN -0.106 nan 8.250 nan 0.000 0.472 192 S N 0.604 116.250 115.700 -0.089 0.000 2.578 192 S HA 0.048 4.517 4.470 -0.001 0.000 0.231 192 S C 0.068 174.654 174.600 -0.023 0.000 0.994 192 S CA -0.536 57.625 58.200 -0.064 0.000 0.956 192 S CB 0.718 63.874 63.200 -0.074 0.000 0.870 192 S HN 0.379 nan 8.310 nan 0.000 0.494 193 S N 2.199 117.910 115.700 0.019 0.000 2.552 193 S HA 0.098 4.568 4.470 -0.001 0.000 0.289 193 S C 1.497 176.139 174.600 0.070 0.000 1.304 193 S CA -0.467 57.787 58.200 0.090 0.000 1.063 193 S CB -0.043 63.297 63.200 0.234 0.000 0.848 193 S HN 0.503 nan 8.310 nan 0.000 0.499 194 I N 3.285 123.900 120.570 0.075 0.000 2.756 194 I HA -0.028 4.141 4.170 -0.001 0.000 0.262 194 I C 1.830 177.981 176.117 0.056 0.000 1.225 194 I CA 0.977 62.303 61.300 0.044 0.000 1.472 194 I CB -0.380 37.645 38.000 0.041 0.000 1.094 194 I HN 0.580 nan 8.210 nan 0.000 0.454 195 L N 1.104 122.400 121.223 0.122 0.000 2.275 195 L HA -0.038 4.301 4.340 -0.001 0.000 0.215 195 L C 2.174 179.079 176.870 0.058 0.000 1.119 195 L CA 1.476 56.383 54.840 0.112 0.000 0.790 195 L CB -0.390 41.766 42.059 0.161 0.000 0.919 195 L HN 0.259 nan 8.230 nan 0.000 0.443 196 L N -0.627 120.603 121.223 0.010 0.000 1.943 196 L HA -0.231 4.109 4.340 -0.001 0.000 0.215 196 L C 1.936 178.785 176.870 -0.035 0.000 1.074 196 L CA 1.863 56.623 54.840 -0.134 0.000 0.759 196 L CB -0.871 40.853 42.059 -0.558 0.000 0.888 196 L HN 0.270 nan 8.230 nan 0.000 0.433 197 D N -0.420 119.943 120.400 -0.061 0.000 2.349 197 D HA -0.015 4.624 4.640 -0.001 0.000 0.215 197 D C 1.956 178.289 176.300 0.055 0.000 1.016 197 D CA 0.884 54.934 54.000 0.083 0.000 0.870 197 D CB 0.239 41.090 40.800 0.084 0.000 0.917 197 D HN 0.370 nan 8.370 nan 0.000 0.524 198 G N 0.622 109.440 108.800 0.030 0.000 2.534 198 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.217 198 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.217 198 G C 1.323 176.240 174.900 0.028 0.000 1.128 198 G CA 0.255 45.365 45.100 0.017 0.000 0.784 198 G HN 0.143 nan 8.290 nan 0.000 0.542 199 N N -0.297 118.440 118.700 0.062 0.000 2.217 199 N HA 0.045 4.784 4.740 -0.001 0.000 0.239 199 N C -0.141 175.421 175.510 0.087 0.000 1.330 199 N CA 0.099 53.201 53.050 0.086 0.000 0.838 199 N CB 0.146 38.718 38.487 0.142 0.000 1.287 199 N HN -0.021 nan 8.380 nan 0.000 0.498 200 D N 0.327 120.789 120.400 0.104 0.000 2.704 200 D HA -0.233 4.406 4.640 -0.001 0.000 0.232 200 D C -0.961 175.413 176.300 0.123 0.000 1.183 200 D CA 0.556 54.632 54.000 0.125 0.000 0.647 200 D CB -1.129 39.715 40.800 0.073 0.000 1.013 200 D HN 0.331 nan 8.370 nan 0.000 0.415 201 I N 0.664 121.333 120.570 0.165 0.000 2.428 201 I HA 0.580 4.749 4.170 -0.001 0.000 0.296 201 I C 0.650 176.919 176.117 0.253 0.000 0.985 201 I CA -0.557 60.827 61.300 0.141 0.000 1.260 201 I CB 1.508 39.545 38.000 0.061 0.000 1.389 201 I HN 0.280 nan 8.210 nan 0.000 0.484 202 A N 6.861 129.801 122.820 0.200 0.000 2.301 202 A HA 0.679 4.999 4.320 -0.001 0.000 0.298 202 A C -1.011 176.774 177.584 0.335 0.000 1.185 202 A CA -0.293 51.898 52.037 0.257 0.000 0.830 202 A CB 0.347 19.464 19.000 0.194 0.000 1.112 202 A HN 0.600 nan 8.150 nan 0.000 0.508 203 L N 5.545 127.017 121.223 0.414 0.000 2.518 203 L HA 0.480 4.819 4.340 -0.001 0.000 0.262 203 L C -2.471 174.460 176.870 0.102 0.000 0.982 203 L CA -1.430 53.576 54.840 0.277 0.000 0.873 203 L CB 2.237 44.474 42.059 0.297 0.000 1.198 203 L HN 0.507 nan 8.230 nan 0.000 0.427 204 P HA 0.164 nan 4.420 nan 0.000 0.275 204 P C 0.680 177.688 177.300 -0.487 0.000 1.266 204 P CA -0.296 62.221 63.100 -0.973 0.000 0.793 204 P CB 1.287 32.150 31.700 -1.395 0.000 1.074 205 L N -1.155 119.804 121.223 -0.440 0.000 2.179 205 L HA 0.188 4.527 4.340 -0.001 0.000 0.208 205 L C 1.572 178.338 176.870 -0.174 0.000 1.096 205 L CA 1.544 56.308 54.840 -0.126 0.000 0.779 205 L CB -0.610 41.451 42.059 0.004 0.000 0.922 205 L HN 0.628 nan 8.230 nan 0.000 0.443 206 G N -1.713 106.802 108.800 -0.475 0.000 2.435 206 G HA2 0.426 4.385 3.960 -0.001 0.000 0.296 206 G HA3 0.426 4.385 3.960 -0.001 0.000 0.296 206 G C -1.903 172.439 174.900 -0.930 0.000 1.240 206 G CA -0.579 44.208 45.100 -0.521 0.000 0.872 206 G HN -0.153 nan 8.290 nan 0.000 0.480 207 F N -0.124 119.778 119.950 -0.079 0.000 2.601 207 F HA 0.711 5.237 4.527 -0.001 0.000 0.309 207 F C 0.288 176.041 175.800 -0.078 0.000 1.089 207 F CA -0.648 57.304 58.000 -0.079 0.000 0.940 207 F CB 2.697 41.648 39.000 -0.080 0.000 1.273 207 F HN 0.689 nan 8.300 nan 0.000 0.450 208 A N 3.336 126.235 122.820 0.132 0.000 2.582 208 A HA 0.696 5.016 4.320 -0.001 0.000 0.336 208 A C -2.728 174.893 177.584 0.060 0.000 1.445 208 A CA -1.703 50.370 52.037 0.059 0.000 0.997 208 A CB -0.442 18.587 19.000 0.047 0.000 1.148 208 A HN 0.366 nan 8.150 nan 0.000 0.514 209 P HA 0.178 nan 4.420 nan 0.000 0.267 209 P C 0.941 178.243 177.300 0.004 0.000 1.200 209 P CA 0.460 63.555 63.100 -0.009 0.000 0.772 209 P CB 0.970 32.624 31.700 -0.077 0.000 0.855 210 G N 1.015 109.826 108.800 0.019 0.000 2.829 210 G HA2 0.144 4.104 3.960 -0.001 0.000 0.173 210 G HA3 0.144 4.104 3.960 -0.001 0.000 0.173 210 G C -0.530 174.364 174.900 -0.010 0.000 1.476 210 G CA -0.186 44.929 45.100 0.024 0.000 1.072 210 G HN 0.491 nan 8.290 nan 0.000 0.577 211 D N -0.053 120.334 120.400 -0.022 0.000 2.458 211 D HA 0.190 4.830 4.640 -0.001 0.000 0.243 211 D C -1.275 174.986 176.300 -0.065 0.000 1.146 211 D CA -1.135 52.840 54.000 -0.041 0.000 0.877 211 D CB 1.381 42.153 40.800 -0.048 0.000 1.176 211 D HN -0.114 nan 8.370 nan 0.000 0.461 212 P HA -0.171 nan 4.420 nan 0.000 0.216 212 P C 0.672 177.936 177.300 -0.059 0.000 1.153 212 P CA 1.095 64.166 63.100 -0.048 0.000 0.858 212 P CB 0.156 31.843 31.700 -0.023 0.000 0.789 213 E N -0.790 119.375 120.200 -0.059 0.000 2.472 213 E HA -0.127 4.223 4.350 -0.001 0.000 0.200 213 E C 1.666 178.198 176.600 -0.114 0.000 1.046 213 E CA 0.823 57.185 56.400 -0.063 0.000 0.871 213 E CB -0.388 29.285 29.700 -0.046 0.000 0.806 213 E HN 0.449 nan 8.360 nan 0.000 0.533 214 Q N -0.446 119.242 119.800 -0.186 0.000 2.352 214 Q HA 0.179 4.519 4.340 -0.001 0.000 0.212 214 Q C 2.113 177.880 176.000 -0.387 0.000 0.888 214 Q CA 0.002 55.572 55.803 -0.388 0.000 0.934 214 Q CB 0.551 28.939 28.738 -0.584 0.000 1.093 214 Q HN 0.336 nan 8.270 nan 0.000 0.523 215 L N 0.808 121.921 121.223 -0.182 0.000 2.376 215 L HA -0.010 4.329 4.340 -0.001 0.000 0.219 215 L C 1.172 178.020 176.870 -0.036 0.000 1.133 215 L CA 0.971 55.755 54.840 -0.093 0.000 0.816 215 L CB -0.367 41.639 42.059 -0.088 0.000 0.933 215 L HN 0.140 nan 8.230 nan 0.000 0.449 216 T N -2.468 112.073 114.554 -0.022 0.000 2.816 216 T HA 0.584 4.933 4.350 -0.001 0.000 0.299 216 T C -0.763 173.972 174.700 0.058 0.000 1.230 216 T CA -0.909 61.220 62.100 0.049 0.000 1.007 216 T CB 3.051 71.959 68.868 0.065 0.000 1.289 216 T HN 0.082 nan 8.240 nan 0.000 0.508 217 R N 0.531 121.104 120.500 0.122 0.000 2.548 217 R HA 0.637 4.976 4.340 -0.001 0.000 0.280 217 R C -1.473 174.913 176.300 0.143 0.000 1.061 217 R CA -0.430 55.742 56.100 0.121 0.000 0.915 217 R CB 2.048 32.425 30.300 0.128 0.000 1.210 217 R HN 0.785 nan 8.270 nan 0.000 0.442 218 S N 2.185 117.932 115.700 0.078 0.000 2.509 218 S HA 0.508 4.978 4.470 -0.001 0.000 0.297 218 S C -0.907 173.714 174.600 0.034 0.000 1.118 218 S CA -0.670 57.540 58.200 0.017 0.000 1.074 218 S CB 1.979 65.176 63.200 -0.005 0.000 1.038 218 S HN 0.347 nan 8.310 nan 0.000 0.498 219 V N 2.610 122.518 119.914 -0.011 0.000 2.357 219 V HA 0.417 4.536 4.120 -0.001 0.000 0.284 219 V C 0.372 176.422 176.094 -0.074 0.000 1.018 219 V CA -0.405 61.927 62.300 0.052 0.000 0.841 219 V CB 1.363 33.328 31.823 0.237 0.000 0.991 219 V HN 1.020 nan 8.190 nan 0.000 0.437 220 T N 2.905 117.384 114.554 -0.125 0.000 3.058 220 T HA 0.238 4.587 4.350 -0.001 0.000 0.278 220 T C 0.989 175.543 174.700 -0.243 0.000 0.974 220 T CA 0.339 62.229 62.100 -0.351 0.000 0.893 220 T CB 0.436 69.075 68.868 -0.383 0.000 1.138 220 T HN 0.817 nan 8.240 nan 0.000 0.529 221 G N 1.165 109.914 108.800 -0.085 0.000 2.664 221 G HA2 0.331 4.290 3.960 -0.001 0.000 0.242 221 G HA3 0.331 4.290 3.960 -0.001 0.000 0.242 221 G C -0.143 174.737 174.900 -0.034 0.000 1.225 221 G CA -0.292 44.787 45.100 -0.036 0.000 0.849 221 G HN 0.155 nan 8.290 nan 0.000 0.581 222 E N -0.576 119.620 120.200 -0.007 0.000 2.318 222 E HA 0.425 4.775 4.350 -0.001 0.000 0.265 222 E C 1.137 177.742 176.600 0.008 0.000 1.069 222 E CA 0.480 56.881 56.400 0.002 0.000 0.893 222 E CB 1.227 30.937 29.700 0.016 0.000 1.076 222 E HN 1.020 nan 8.360 nan 0.000 0.414 223 G N 0.256 109.062 108.800 0.009 0.000 2.184 223 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.264 223 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.264 223 G C 0.235 175.143 174.900 0.014 0.000 0.975 223 G CA 0.477 45.586 45.100 0.015 0.000 0.642 223 G HN 0.803 nan 8.290 nan 0.000 0.536 224 A N -0.303 122.525 122.820 0.013 0.000 2.587 224 A HA 0.908 5.227 4.320 -0.001 0.000 0.293 224 A C -2.676 174.924 177.584 0.026 0.000 1.087 224 A CA -0.883 51.159 52.037 0.008 0.000 0.692 224 A CB 1.797 20.805 19.000 0.013 0.000 1.291 224 A HN 0.276 nan 8.150 nan 0.000 0.407 225 P HA 0.152 nan 4.420 nan 0.000 0.266 225 P C -1.024 176.451 177.300 0.291 0.000 1.195 225 P CA 0.382 63.527 63.100 0.075 0.000 0.768 225 P CB 0.415 32.009 31.700 -0.177 0.000 0.838 226 K N 1.586 122.179 120.400 0.321 0.000 2.206 226 K HA 0.726 5.045 4.320 -0.001 0.000 0.264 226 K C 0.377 177.092 176.600 0.192 0.000 0.967 226 K CA -0.565 55.838 56.287 0.192 0.000 0.844 226 K CB 1.954 34.412 32.500 -0.070 0.000 1.099 226 K HN 0.726 nan 8.250 nan 0.000 0.441 227 G N 0.517 109.172 108.800 -0.242 0.000 2.554 227 G HA2 0.458 4.417 3.960 -0.001 0.000 0.306 227 G HA3 0.458 4.417 3.960 -0.001 0.000 0.306 227 G C -1.736 172.639 174.900 -0.875 0.000 1.320 227 G CA -0.533 44.054 45.100 -0.855 0.000 0.800 227 G HN 0.305 nan 8.290 nan 0.000 0.481 228 V N 0.129 119.447 119.914 -0.994 0.000 2.656 228 V HA 0.617 4.736 4.120 -0.001 0.000 0.307 228 V C -1.183 174.569 176.094 -0.570 0.000 1.051 228 V CA -0.615 61.353 62.300 -0.553 0.000 0.893 228 V CB 1.620 33.307 31.823 -0.226 0.000 0.999 228 V HN 0.543 nan 8.190 nan 0.000 0.426 229 F N 2.323 122.207 119.950 -0.110 0.000 2.408 229 F HA 0.425 4.951 4.527 -0.001 0.000 0.344 229 F C 0.373 176.257 175.800 0.140 0.000 1.112 229 F CA -0.547 57.472 58.000 0.031 0.000 1.096 229 F CB 1.291 40.311 39.000 0.033 0.000 1.129 229 F HN 0.540 nan 8.300 nan 0.000 0.486 230 D N 4.593 125.204 120.400 0.351 0.000 2.347 230 D HA 0.219 4.859 4.640 -0.001 0.000 0.235 230 D C -0.073 176.269 176.300 0.069 0.000 1.149 230 D CA -0.007 54.046 54.000 0.088 0.000 0.850 230 D CB 0.579 41.278 40.800 -0.168 0.000 1.061 230 D HN 0.531 nan 8.370 nan 0.000 0.487 231 L N 4.427 125.680 121.223 0.050 0.000 2.872 231 L HA 0.195 4.534 4.340 -0.001 0.000 0.245 231 L C 1.943 178.832 176.870 0.032 0.000 1.211 231 L CA -0.334 54.554 54.840 0.080 0.000 1.013 231 L CB 0.148 42.319 42.059 0.187 0.000 1.326 231 L HN 0.447 nan 8.230 nan 0.000 0.525 232 L N 0.487 121.631 121.223 -0.132 0.000 2.083 232 L HA -0.126 4.213 4.340 -0.001 0.000 0.209 232 L C 2.371 179.036 176.870 -0.342 0.000 1.083 232 L CA 1.724 56.411 54.840 -0.254 0.000 0.752 232 L CB -0.271 41.522 42.059 -0.443 0.000 0.899 232 L HN 0.469 nan 8.230 nan 0.000 0.433 233 G N 0.425 108.999 108.800 -0.377 0.000 2.491 233 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.218 233 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.218 233 G C 1.222 176.031 174.900 -0.150 0.000 1.180 233 G CA 0.994 45.917 45.100 -0.295 0.000 0.774 233 G HN 0.707 nan 8.290 nan 0.000 0.562 234 E N -0.681 119.410 120.200 -0.181 0.000 2.502 234 E HA 0.004 4.353 4.350 -0.001 0.000 0.194 234 E C 0.248 176.556 176.600 -0.485 0.000 1.062 234 E CA 0.285 56.504 56.400 -0.301 0.000 0.867 234 E CB -0.097 29.379 29.700 -0.373 0.000 0.888 234 E HN 0.494 nan 8.360 nan 0.000 0.510 235 H N 0.974 120.011 119.070 -0.055 0.000 2.471 235 H HA 0.336 4.892 4.556 -0.001 0.000 0.234 235 H C -0.601 174.706 175.328 -0.035 0.000 1.388 235 H CA 0.083 56.107 56.048 -0.040 0.000 1.198 235 H CB 0.506 30.239 29.762 -0.048 0.000 1.714 235 H HN 0.235 nan 8.280 nan 0.000 0.536 236 S N -0.974 114.762 115.700 0.058 0.000 2.643 236 S HA 0.313 4.783 4.470 -0.001 0.000 0.266 236 S C -1.278 173.393 174.600 0.118 0.000 1.130 236 S CA -0.864 57.388 58.200 0.086 0.000 0.817 236 S CB 1.709 64.963 63.200 0.091 0.000 1.107 236 S HN -0.049 nan 8.310 nan 0.000 0.471 237 V N 3.039 123.034 119.914 0.135 0.000 2.334 237 V HA 0.531 4.651 4.120 -0.001 0.000 0.281 237 V C -2.182 173.999 176.094 0.145 0.000 1.016 237 V CA -1.758 60.618 62.300 0.127 0.000 0.832 237 V CB 1.177 33.051 31.823 0.085 0.000 0.999 237 V HN 0.811 nan 8.190 nan 0.000 0.439 238 P HA 0.151 nan 4.420 nan 0.000 0.268 238 P C -0.766 176.447 177.300 -0.144 0.000 1.204 238 P CA -0.042 63.043 63.100 -0.025 0.000 0.768 238 P CB 1.002 32.753 31.700 0.085 0.000 0.842 239 I N 3.998 124.333 120.570 -0.391 0.000 2.304 239 I HA 0.168 4.337 4.170 -0.001 0.000 0.291 239 I C 0.795 176.658 176.117 -0.423 0.000 1.018 239 I CA -0.290 60.853 61.300 -0.262 0.000 1.260 239 I CB -0.060 37.819 38.000 -0.203 0.000 1.390 239 I HN 0.312 nan 8.210 nan 0.000 0.475 240 F N 4.070 123.998 119.950 -0.036 0.000 2.682 240 F HA 0.171 4.698 4.527 -0.001 0.000 0.308 240 F C 0.824 176.626 175.800 0.003 0.000 1.093 240 F CA -0.165 57.824 58.000 -0.018 0.000 1.244 240 F CB 0.654 39.643 39.000 -0.019 0.000 1.052 240 F HN 0.494 nan 8.300 nan 0.000 0.573 241 E N -0.056 120.218 120.200 0.124 0.000 2.363 241 E HA 0.750 5.099 4.350 -0.001 0.000 0.281 241 E C -1.566 175.068 176.600 0.056 0.000 0.953 241 E CA -1.177 55.279 56.400 0.093 0.000 0.778 241 E CB 2.016 31.771 29.700 0.091 0.000 1.220 241 E HN -0.081 nan 8.360 nan 0.000 0.431 242 A N 1.591 124.443 122.820 0.053 0.000 2.515 242 A HA 0.813 5.133 4.320 -0.001 0.000 0.298 242 A C -0.448 177.157 177.584 0.035 0.000 1.059 242 A CA -0.382 51.677 52.037 0.036 0.000 0.698 242 A CB 1.927 20.944 19.000 0.029 0.000 1.289 242 A HN 0.760 nan 8.150 nan 0.000 0.404 243 T N -1.202 113.366 114.554 0.023 0.000 2.940 243 T HA 0.806 5.155 4.350 -0.001 0.000 0.288 243 T C -0.470 174.237 174.700 0.011 0.000 1.045 243 T CA -0.602 61.510 62.100 0.020 0.000 1.018 243 T CB 1.108 69.987 68.868 0.018 0.000 1.151 243 T HN 0.501 nan 8.240 nan 0.000 0.529 244 I N 1.352 121.928 120.570 0.010 0.000 2.439 244 I HA 0.304 4.474 4.170 -0.001 0.000 0.285 244 I C -0.004 176.115 176.117 0.003 0.000 1.021 244 I CA -0.657 60.644 61.300 0.003 0.000 1.091 244 I CB 1.422 39.424 38.000 0.004 0.000 1.242 244 I HN 0.926 nan 8.210 nan 0.000 0.439 245 E N 4.515 124.715 120.200 -0.000 0.000 2.360 245 E HA -0.282 4.067 4.350 -0.001 0.000 0.238 245 E C 1.081 177.683 176.600 0.004 0.000 1.186 245 E CA 0.618 57.019 56.400 0.001 0.000 0.719 245 E CB -1.141 28.558 29.700 -0.001 0.000 1.236 245 E HN 1.218 nan 8.360 nan 0.000 0.386 246 G N -0.881 107.923 108.800 0.006 0.000 2.234 246 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.260 246 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.260 246 G C 0.210 175.116 174.900 0.011 0.000 0.987 246 G CA 0.650 45.755 45.100 0.009 0.000 0.625 246 G HN 0.242 nan 8.290 nan 0.000 0.532 247 Q N 0.626 120.432 119.800 0.011 0.000 2.226 247 Q HA 0.508 4.847 4.340 -0.001 0.000 0.256 247 Q C -2.533 173.477 176.000 0.017 0.000 0.962 247 Q CA -2.082 53.729 55.803 0.013 0.000 0.887 247 Q CB 1.234 29.979 28.738 0.011 0.000 1.282 247 Q HN 0.173 nan 8.270 nan 0.000 0.449 248 P HA 0.033 nan 4.420 nan 0.000 0.268 248 P C -0.601 176.717 177.300 0.028 0.000 1.205 248 P CA 0.449 63.564 63.100 0.026 0.000 0.771 248 P CB 0.825 32.540 31.700 0.025 0.000 0.858 249 A N 3.669 126.512 122.820 0.037 0.000 1.853 249 A HA 0.417 4.736 4.320 -0.001 0.000 0.204 249 A C 0.266 177.884 177.584 0.057 0.000 1.724 249 A CA 0.506 52.569 52.037 0.043 0.000 1.105 249 A CB 0.072 19.097 19.000 0.043 0.000 1.101 249 A HN 0.503 nan 8.150 nan 0.000 0.495 250 I N -0.622 119.989 120.570 0.069 0.000 2.984 250 I HA 0.369 4.538 4.170 -0.001 0.000 0.303 250 I C -2.070 174.099 176.117 0.086 0.000 1.381 250 I CA -0.662 60.687 61.300 0.081 0.000 0.988 250 I CB 2.071 40.141 38.000 0.117 0.000 1.307 250 I HN 0.367 nan 8.210 nan 0.000 0.460 251 Q N 2.724 122.576 119.800 0.088 0.000 2.433 251 Q HA 0.543 4.882 4.340 -0.001 0.000 0.279 251 Q C -0.207 175.871 176.000 0.129 0.000 1.105 251 Q CA -0.823 55.046 55.803 0.110 0.000 0.815 251 Q CB 2.293 31.094 28.738 0.105 0.000 1.403 251 Q HN 0.807 nan 8.270 nan 0.000 0.435 252 G N -0.141 108.768 108.800 0.181 0.000 2.489 252 G HA2 0.108 4.067 3.960 -0.001 0.000 0.271 252 G HA3 0.108 4.067 3.960 -0.001 0.000 0.271 252 G C -1.066 174.030 174.900 0.326 0.000 1.427 252 G CA 0.104 45.323 45.100 0.198 0.000 1.057 252 G HN 0.653 nan 8.290 nan 0.000 0.532 253 H N -0.969 118.278 119.070 0.295 0.000 2.866 253 H HA 0.528 5.083 4.556 -0.001 0.000 0.287 253 H C -0.166 175.340 175.328 0.295 0.000 1.106 253 H CA -0.567 55.620 56.048 0.232 0.000 1.396 253 H CB 0.580 30.435 29.762 0.154 0.000 1.469 253 H HN 0.309 nan 8.280 nan 0.000 0.500 254 M N 4.192 123.656 119.600 -0.228 0.000 2.235 254 M HA 0.432 4.911 4.480 -0.001 0.000 0.351 254 M C 0.045 176.097 176.300 -0.413 0.000 1.178 254 M CA 0.329 55.419 55.300 -0.351 0.000 1.143 254 M CB 0.647 32.930 32.600 -0.528 0.000 1.530 254 M HN 0.853 nan 8.290 nan 0.000 0.461 255 G N 0.916 109.597 108.800 -0.198 0.000 2.682 255 G HA2 0.378 4.337 3.960 -0.001 0.000 0.290 255 G HA3 0.378 4.337 3.960 -0.001 0.000 0.290 255 G C -0.331 174.544 174.900 -0.042 0.000 1.425 255 G CA -0.567 44.469 45.100 -0.106 0.000 0.807 255 G HN 0.654 nan 8.290 nan 0.000 0.482 256 S N -0.586 115.106 115.700 -0.013 0.000 2.357 256 S HA 0.011 4.480 4.470 -0.001 0.000 0.221 256 S C 0.986 175.595 174.600 0.015 0.000 1.031 256 S CA 0.898 59.095 58.200 -0.005 0.000 0.982 256 S CB -0.152 63.049 63.200 0.001 0.000 0.853 256 S HN 0.455 nan 8.310 nan 0.000 0.458 257 K N 1.378 121.797 120.400 0.032 0.000 2.297 257 K HA 0.316 4.635 4.320 -0.001 0.000 0.286 257 K C -0.705 175.927 176.600 0.053 0.000 1.053 257 K CA 0.258 56.566 56.287 0.034 0.000 0.940 257 K CB 0.626 33.141 32.500 0.025 0.000 1.019 257 K HN 0.201 nan 8.250 nan 0.000 0.475 258 M N 4.155 123.787 119.600 0.053 0.000 2.088 258 M HA 0.181 4.660 4.480 -0.001 0.000 0.346 258 M C -0.286 176.057 176.300 0.071 0.000 1.111 258 M CA -0.807 54.542 55.300 0.082 0.000 1.017 258 M CB 1.144 33.792 32.600 0.080 0.000 1.568 258 M HN 0.442 nan 8.290 nan 0.000 0.445 259 V N 0.901 120.875 119.914 0.101 0.000 3.181 259 V HA 0.928 5.048 4.120 -0.001 0.000 0.314 259 V C 0.505 176.709 176.094 0.184 0.000 1.173 259 V CA -0.614 61.757 62.300 0.118 0.000 1.052 259 V CB 1.350 33.217 31.823 0.074 0.000 1.123 259 V HN 1.015 nan 8.190 nan 0.000 0.454 260 A N 0.153 123.103 122.820 0.216 0.000 2.739 260 A HA -0.171 4.148 4.320 -0.001 0.000 0.296 260 A C 0.731 178.367 177.584 0.087 0.000 1.488 260 A CA 1.321 53.434 52.037 0.127 0.000 0.746 260 A CB -2.298 16.753 19.000 0.084 0.000 1.047 260 A HN 1.060 nan 8.150 nan 0.000 0.477 261 I N -0.600 120.018 120.570 0.079 0.000 2.406 261 I HA -0.034 4.136 4.170 -0.001 0.000 0.249 261 I C 1.399 177.549 176.117 0.055 0.000 1.122 261 I CA 1.645 62.979 61.300 0.057 0.000 1.431 261 I CB 0.100 38.128 38.000 0.046 0.000 1.087 261 I HN 0.593 nan 8.210 nan 0.000 0.424 262 S N 1.327 117.077 115.700 0.083 0.000 2.640 262 S HA 0.564 5.033 4.470 -0.001 0.000 0.320 262 S C -0.615 174.088 174.600 0.172 0.000 1.097 262 S CA -0.600 57.687 58.200 0.145 0.000 1.092 262 S CB 0.313 63.616 63.200 0.171 0.000 0.988 262 S HN 0.080 nan 8.310 nan 0.000 0.470 263 I N 4.400 125.083 120.570 0.189 0.000 2.433 263 I HA 0.530 4.699 4.170 -0.001 0.000 0.292 263 I C -0.143 176.136 176.117 0.270 0.000 1.001 263 I CA -0.481 60.927 61.300 0.180 0.000 1.119 263 I CB 2.104 40.168 38.000 0.107 0.000 1.289 263 I HN 0.696 nan 8.210 nan 0.000 0.438 264 S N 4.954 120.744 115.700 0.149 0.000 2.556 264 S HA 0.734 5.204 4.470 -0.001 0.000 0.271 264 S C -1.232 173.069 174.600 -0.498 0.000 1.135 264 S CA -0.798 57.266 58.200 -0.227 0.000 0.858 264 S CB 2.338 65.204 63.200 -0.557 0.000 1.114 264 S HN 0.404 nan 8.310 nan 0.000 0.468 265 V N 2.004 121.181 119.914 -1.228 0.000 2.735 265 V HA 0.867 4.986 4.120 -0.001 0.000 0.310 265 V C -2.119 173.244 176.094 -1.219 0.000 1.061 265 V CA -0.567 61.056 62.300 -1.128 0.000 0.913 265 V CB 1.468 32.330 31.823 -1.601 0.000 1.005 265 V HN 0.978 nan 8.190 nan 0.000 0.428 266 W N 4.357 125.439 121.300 -0.363 0.000 2.950 266 W HA 0.678 5.338 4.660 -0.001 0.000 0.340 266 W C -0.497 176.047 176.519 0.042 0.000 1.139 266 W CA -0.781 56.480 57.345 -0.140 0.000 1.188 266 W CB 1.464 30.827 29.460 -0.162 0.000 1.426 266 W HN 0.435 nan 8.180 nan 0.000 0.531 267 L N 4.526 125.974 121.223 0.375 0.000 2.461 267 L HA 0.092 4.432 4.340 -0.001 0.000 0.272 267 L C -0.808 176.165 176.870 0.171 0.000 1.197 267 L CA -1.155 53.864 54.840 0.299 0.000 0.836 267 L CB 0.837 42.976 42.059 0.132 0.000 1.105 267 L HN 0.242 nan 8.230 nan 0.000 0.477 268 P HA 0.026 nan 4.420 nan 0.000 0.242 268 P C 0.417 178.015 177.300 0.497 0.000 1.197 268 P CA 0.683 63.828 63.100 0.074 0.000 0.765 268 P CB 0.509 32.062 31.700 -0.245 0.000 0.936 269 G N -0.934 108.107 108.800 0.400 0.000 2.618 269 G HA2 0.095 4.054 3.960 -0.001 0.000 0.234 269 G HA3 0.095 4.054 3.960 -0.001 0.000 0.234 269 G C -1.398 173.591 174.900 0.148 0.000 2.826 269 G CA -0.329 44.998 45.100 0.379 0.000 0.836 269 G HN 0.283 nan 8.290 nan 0.000 0.498 270 V N 1.333 121.181 119.914 -0.109 0.000 2.588 270 V HA 0.880 4.999 4.120 -0.001 0.000 0.304 270 V C -0.338 175.613 176.094 -0.237 0.000 1.042 270 V CA -1.078 60.965 62.300 -0.428 0.000 0.877 270 V CB 1.763 32.969 31.823 -1.028 0.000 0.996 270 V HN 0.701 nan 8.190 nan 0.000 0.425 271 L N 5.965 127.077 121.223 -0.185 0.000 2.343 271 L HA 0.635 4.974 4.340 -0.001 0.000 0.275 271 L C -0.279 176.580 176.870 -0.018 0.000 1.056 271 L CA 0.155 54.972 54.840 -0.039 0.000 0.804 271 L CB 1.352 43.480 42.059 0.116 0.000 1.203 271 L HN 0.788 nan 8.230 nan 0.000 0.440 272 K N 3.674 124.097 120.400 0.039 0.000 2.545 272 K HA 0.573 4.892 4.320 -0.001 0.000 0.252 272 K C -2.056 174.520 176.600 -0.040 0.000 0.948 272 K CA -0.606 55.659 56.287 -0.036 0.000 0.827 272 K CB 1.489 34.058 32.500 0.115 0.000 1.128 272 K HN 0.453 nan 8.250 nan 0.000 0.429 273 V N 3.425 123.256 119.914 -0.138 0.000 2.350 273 V HA 0.305 4.424 4.120 -0.001 0.000 0.285 273 V C -0.929 175.124 176.094 -0.068 0.000 1.014 273 V CA -0.709 61.543 62.300 -0.079 0.000 0.831 273 V CB 1.284 33.010 31.823 -0.161 0.000 1.000 273 V HN 0.789 nan 8.190 nan 0.000 0.433 274 D N 6.565 126.965 120.400 -0.001 0.000 2.757 274 D HA 0.579 5.218 4.640 -0.001 0.000 0.249 274 D C -2.859 173.469 176.300 0.046 0.000 1.168 274 D CA -1.442 52.562 54.000 0.005 0.000 0.870 274 D CB 3.520 44.321 40.800 0.000 0.000 1.411 274 D HN 0.308 nan 8.370 nan 0.000 0.525 275 P HA 0.513 nan 4.420 nan 0.000 0.287 275 P C -1.209 176.144 177.300 0.087 0.000 1.270 275 P CA -0.603 62.504 63.100 0.013 0.000 0.844 275 P CB 1.337 33.023 31.700 -0.023 0.000 1.068 276 F N 2.233 122.079 119.950 -0.174 0.000 2.714 276 F HA 0.248 4.774 4.527 -0.001 0.000 0.313 276 F C -2.373 173.267 175.800 -0.267 0.000 1.104 276 F CA -1.481 56.390 58.000 -0.215 0.000 1.005 276 F CB 1.970 40.860 39.000 -0.182 0.000 1.268 276 F HN 0.132 nan 8.300 nan 0.000 0.449 277 P HA 0.086 nan 4.420 nan 0.000 0.255 277 P C -0.837 175.888 177.300 -0.958 0.000 1.301 277 P CA 0.850 62.965 63.100 -1.641 0.000 0.817 277 P CB 0.362 31.348 31.700 -1.190 0.000 1.259 278 D N -0.416 119.588 120.400 -0.659 0.000 2.661 278 D HA 0.199 4.838 4.640 -0.001 0.000 0.228 278 D C -2.380 173.784 176.300 -0.226 0.000 1.210 278 D CA -2.087 51.684 54.000 -0.382 0.000 0.826 278 D CB 2.657 43.223 40.800 -0.390 0.000 1.542 278 D HN -0.351 nan 8.370 nan 0.000 0.447 279 P HA -0.077 nan 4.420 nan 0.000 0.223 279 P C 1.072 178.328 177.300 -0.073 0.000 1.144 279 P CA 1.547 64.607 63.100 -0.066 0.000 0.783 279 P CB 0.122 31.805 31.700 -0.028 0.000 0.771 280 T N -5.101 109.397 114.554 -0.094 0.000 3.086 280 T HA 0.229 4.578 4.350 -0.001 0.000 0.250 280 T C 0.444 175.046 174.700 -0.165 0.000 1.074 280 T CA 0.059 62.100 62.100 -0.097 0.000 0.988 280 T CB -0.411 68.427 68.868 -0.050 0.000 0.988 280 T HN -0.072 nan 8.240 nan 0.000 0.530 281 L N 0.575 121.676 121.223 -0.203 0.000 2.323 281 L HA 0.668 5.008 4.340 -0.001 0.000 0.265 281 L C -0.604 176.182 176.870 -0.139 0.000 1.012 281 L CA -1.032 53.678 54.840 -0.217 0.000 0.820 281 L CB 2.474 44.328 42.059 -0.341 0.000 1.334 281 L HN -0.061 nan 8.230 nan 0.000 0.427 282 T N 0.679 115.175 114.554 -0.098 0.000 2.879 282 T HA 0.321 4.670 4.350 -0.001 0.000 0.290 282 T C -0.896 173.676 174.700 -0.212 0.000 0.993 282 T CA -0.490 61.507 62.100 -0.172 0.000 0.975 282 T CB 1.920 70.658 68.868 -0.216 0.000 0.981 282 T HN 0.484 nan 8.240 nan 0.000 0.439 283 Q N 2.459 122.121 119.800 -0.231 0.000 2.256 283 Q HA 0.645 4.984 4.340 -0.001 0.000 0.257 283 Q C -1.608 174.201 176.000 -0.317 0.000 0.936 283 Q CA -0.658 55.098 55.803 -0.079 0.000 0.903 283 Q CB 0.758 29.583 28.738 0.144 0.000 1.263 283 Q HN 0.565 nan 8.270 nan 0.000 0.440 284 F N 1.915 121.977 119.950 0.187 0.000 2.529 284 F HA 0.436 4.963 4.527 -0.001 0.000 0.320 284 F C -0.267 175.574 175.800 0.069 0.000 1.118 284 F CA -0.703 57.333 58.000 0.060 0.000 0.915 284 F CB 1.923 40.988 39.000 0.108 0.000 1.161 284 F HN 0.427 nan 8.300 nan 0.000 0.445 285 E N 2.839 123.067 120.200 0.046 0.000 2.248 285 E HA 0.314 4.663 4.350 -0.001 0.000 0.267 285 E C -1.448 174.954 176.600 -0.330 0.000 0.877 285 E CA -0.837 55.573 56.400 0.016 0.000 0.759 285 E CB 2.613 32.379 29.700 0.110 0.000 1.182 285 E HN 0.507 nan 8.360 nan 0.000 0.418 286 W N 1.517 122.615 121.300 -0.335 0.000 2.706 286 W HA 0.353 5.012 4.660 -0.001 0.000 0.346 286 W C -0.857 175.409 176.519 -0.422 0.000 1.071 286 W CA -0.684 56.483 57.345 -0.296 0.000 1.206 286 W CB 1.657 31.089 29.460 -0.046 0.000 1.413 286 W HN 0.610 nan 8.180 nan 0.000 0.542 287 Y N 1.019 121.647 120.300 0.547 0.000 2.584 287 Y HA 0.250 4.800 4.550 -0.001 0.000 0.358 287 Y C 0.195 176.361 175.900 0.445 0.000 1.028 287 Y CA -0.735 57.663 58.100 0.497 0.000 1.148 287 Y CB 0.079 38.694 38.460 0.258 0.000 1.126 287 Y HN -0.146 nan 8.280 nan 0.000 0.658 288 V N 3.702 123.892 119.914 0.459 0.000 2.479 288 V HA 0.161 4.280 4.120 -0.001 0.000 0.281 288 V C -2.140 174.040 176.094 0.143 0.000 1.031 288 V CA -1.943 60.493 62.300 0.226 0.000 1.038 288 V CB 0.574 32.475 31.823 0.131 0.000 0.981 288 V HN 0.339 nan 8.190 nan 0.000 0.478 289 P HA 0.221 nan 4.420 nan 0.000 0.267 289 P C 0.494 177.772 177.300 -0.038 0.000 1.205 289 P CA 0.282 63.355 63.100 -0.045 0.000 0.765 289 P CB 0.781 32.252 31.700 -0.381 0.000 0.828 290 I N 1.449 122.068 120.570 0.080 0.000 2.900 290 I HA 0.079 4.248 4.170 -0.001 0.000 0.251 290 I C 0.630 176.772 176.117 0.042 0.000 1.102 290 I CA 0.919 62.240 61.300 0.035 0.000 1.457 290 I CB 0.058 38.097 38.000 0.066 0.000 1.285 290 I HN 0.404 nan 8.210 nan 0.000 0.459 291 D N -1.116 119.360 120.400 0.128 0.000 2.812 291 D HA 0.044 4.683 4.640 -0.001 0.000 0.318 291 D C 0.366 176.771 176.300 0.176 0.000 1.234 291 D CA -0.506 53.570 54.000 0.126 0.000 0.989 291 D CB 0.113 40.993 40.800 0.133 0.000 1.442 291 D HN -0.042 nan 8.370 nan 0.000 0.537 292 E N -0.292 119.995 120.200 0.146 0.000 2.265 292 E HA -0.042 4.307 4.350 -0.001 0.000 0.196 292 E C 1.439 178.107 176.600 0.114 0.000 0.996 292 E CA 1.411 57.893 56.400 0.138 0.000 0.832 292 E CB -0.542 29.216 29.700 0.098 0.000 0.756 292 E HN 0.617 nan 8.360 nan 0.000 0.491 293 G N -0.096 108.763 108.800 0.098 0.000 3.159 293 G HA2 0.111 4.070 3.960 -0.001 0.000 0.232 293 G HA3 0.111 4.070 3.960 -0.001 0.000 0.232 293 G C -0.245 174.425 174.900 -0.383 0.000 1.116 293 G CA -0.299 44.718 45.100 -0.137 0.000 0.767 293 G HN 0.220 nan 8.290 nan 0.000 0.547 294 H N -0.555 118.602 119.070 0.144 0.000 2.961 294 H HA 0.598 5.154 4.556 -0.001 0.000 0.371 294 H C -0.697 174.775 175.328 0.241 0.000 1.190 294 H CA -0.962 55.173 56.048 0.145 0.000 1.138 294 H CB 1.549 31.353 29.762 0.070 0.000 1.816 294 H HN 0.281 nan 8.280 nan 0.000 0.551 295 H N 0.816 120.051 119.070 0.275 0.000 2.980 295 H HA 0.312 4.867 4.556 -0.001 0.000 0.367 295 H C -1.389 174.088 175.328 0.248 0.000 1.206 295 H CA -1.043 55.162 56.048 0.263 0.000 1.126 295 H CB 1.671 31.643 29.762 0.351 0.000 1.838 295 H HN 0.446 nan 8.280 nan 0.000 0.552 296 L N 3.464 124.863 121.223 0.292 0.000 2.261 296 L HA 0.175 4.514 4.340 -0.001 0.000 0.289 296 L C -1.176 175.927 176.870 0.387 0.000 1.059 296 L CA -0.415 54.541 54.840 0.193 0.000 0.816 296 L CB -0.331 41.756 42.059 0.047 0.000 1.191 296 L HN 0.665 nan 8.230 nan 0.000 0.431 297 Y N 6.657 127.089 120.300 0.220 0.000 2.477 297 Y HA 0.290 4.839 4.550 -0.001 0.000 0.349 297 Y C -0.862 175.182 175.900 0.239 0.000 0.977 297 Y CA -0.861 57.422 58.100 0.304 0.000 1.214 297 Y CB 0.598 39.240 38.460 0.302 0.000 1.124 297 Y HN 0.503 nan 8.280 nan 0.000 0.521 298 L N 7.520 128.841 121.223 0.164 0.000 2.272 298 L HA 0.413 4.752 4.340 -0.001 0.000 0.289 298 L C -0.969 175.901 176.870 -0.000 0.000 1.032 298 L CA -0.452 54.431 54.840 0.072 0.000 0.810 298 L CB 1.113 43.239 42.059 0.111 0.000 1.205 298 L HN 0.668 nan 8.230 nan 0.000 0.422 299 Q N 5.466 125.223 119.800 -0.072 0.000 2.368 299 Q HA 0.498 4.837 4.340 -0.001 0.000 0.263 299 Q C -0.989 175.160 176.000 0.248 0.000 1.009 299 Q CA -0.572 55.250 55.803 0.032 0.000 0.818 299 Q CB 2.356 31.038 28.738 -0.093 0.000 1.239 299 Q HN 0.480 nan 8.270 nan 0.000 0.464 300 M N 3.005 122.839 119.600 0.390 0.000 2.436 300 M HA 0.521 5.000 4.480 -0.001 0.000 0.331 300 M C -0.847 175.780 176.300 0.545 0.000 1.135 300 M CA -0.568 55.014 55.300 0.470 0.000 0.987 300 M CB 1.291 34.256 32.600 0.607 0.000 1.687 300 M HN 0.533 nan 8.290 nan 0.000 0.445 301 L N 1.607 123.124 121.223 0.490 0.000 2.333 301 L HA 0.858 5.197 4.340 -0.001 0.000 0.280 301 L C 0.321 177.515 176.870 0.540 0.000 1.004 301 L CA -0.639 54.508 54.840 0.512 0.000 0.820 301 L CB 2.155 44.580 42.059 0.610 0.000 1.247 301 L HN 0.862 nan 8.230 nan 0.000 0.416 302 G N 2.298 111.363 108.800 0.440 0.000 2.482 302 G HA2 0.738 4.698 3.960 -0.001 0.000 0.317 302 G HA3 0.738 4.698 3.960 -0.001 0.000 0.317 302 G C -1.545 173.274 174.900 -0.135 0.000 1.241 302 G CA -0.557 44.694 45.100 0.251 0.000 0.967 302 G HN 0.561 nan 8.290 nan 0.000 0.482 303 R N 1.171 121.400 120.500 -0.453 0.000 2.533 303 R HA 0.352 4.691 4.340 -0.001 0.000 0.288 303 R C -0.444 175.658 176.300 -0.331 0.000 1.039 303 R CA -0.820 54.934 56.100 -0.577 0.000 0.909 303 R CB 1.598 31.164 30.300 -1.222 0.000 1.195 303 R HN 0.565 nan 8.270 nan 0.000 0.438 304 R N 2.258 122.641 120.500 -0.194 0.000 2.522 304 R HA 0.196 4.535 4.340 -0.001 0.000 0.284 304 R C -0.551 175.683 176.300 -0.111 0.000 1.032 304 R CA 0.073 56.101 56.100 -0.120 0.000 1.049 304 R CB 0.935 31.188 30.300 -0.077 0.000 0.956 304 R HN 0.242 nan 8.270 nan 0.000 0.422 305 V N 1.440 121.308 119.914 -0.076 0.000 2.823 305 V HA 0.431 4.550 4.120 -0.001 0.000 0.312 305 V C 0.773 176.851 176.094 -0.025 0.000 1.072 305 V CA -0.403 61.873 62.300 -0.039 0.000 0.937 305 V CB 2.087 33.905 31.823 -0.009 0.000 1.013 305 V HN 1.009 nan 8.190 nan 0.000 0.430 306 G N 1.579 110.372 108.800 -0.011 0.000 3.228 306 G HA2 0.475 4.434 3.960 -0.001 0.000 0.245 306 G HA3 0.475 4.434 3.960 -0.001 0.000 0.245 306 G C 0.120 175.019 174.900 -0.001 0.000 1.051 306 G CA 0.681 45.776 45.100 -0.010 0.000 0.809 306 G HN 0.938 nan 8.290 nan 0.000 0.531 307 S N -1.120 114.585 115.700 0.008 0.000 2.567 307 S HA 0.347 4.816 4.470 -0.001 0.000 0.270 307 S C 0.298 174.913 174.600 0.025 0.000 1.152 307 S CA -0.263 57.945 58.200 0.013 0.000 0.835 307 S CB 1.891 65.100 63.200 0.015 0.000 1.115 307 S HN -0.050 nan 8.310 nan 0.000 0.459 308 E N 1.086 121.300 120.200 0.022 0.000 2.209 308 E HA -0.185 4.164 4.350 -0.001 0.000 0.196 308 E C 1.484 178.110 176.600 0.043 0.000 0.993 308 E CA 2.166 58.584 56.400 0.030 0.000 0.819 308 E CB -0.118 29.594 29.700 0.021 0.000 0.745 308 E HN 0.745 nan 8.360 nan 0.000 0.477 309 E N 0.064 120.287 120.200 0.039 0.000 2.046 309 E HA -0.186 4.163 4.350 -0.001 0.000 0.190 309 E C 1.684 178.323 176.600 0.064 0.000 0.982 309 E CA 1.249 57.675 56.400 0.044 0.000 0.800 309 E CB -0.110 29.610 29.700 0.034 0.000 0.756 309 E HN 0.564 nan 8.360 nan 0.000 0.449 310 E N -0.158 120.081 120.200 0.065 0.000 2.478 310 E HA -0.046 4.303 4.350 -0.001 0.000 0.198 310 E C 1.647 178.331 176.600 0.140 0.000 1.046 310 E CA 0.602 57.055 56.400 0.089 0.000 0.870 310 E CB 0.211 29.948 29.700 0.061 0.000 0.818 310 E HN 0.223 nan 8.360 nan 0.000 0.527 311 A N 2.288 125.186 122.820 0.130 0.000 1.878 311 A HA -0.015 4.304 4.320 -0.001 0.000 0.213 311 A C 2.230 179.939 177.584 0.207 0.000 1.192 311 A CA 0.623 52.772 52.037 0.186 0.000 0.619 311 A CB -0.212 18.862 19.000 0.122 0.000 0.837 311 A HN 0.081 nan 8.150 nan 0.000 0.446 312 R N -0.243 120.334 120.500 0.128 0.000 2.152 312 R HA -0.090 4.249 4.340 -0.001 0.000 0.232 312 R C 2.465 178.824 176.300 0.097 0.000 1.117 312 R CA 1.321 57.476 56.100 0.091 0.000 0.981 312 R CB -0.391 29.943 30.300 0.057 0.000 0.870 312 R HN 0.531 nan 8.270 nan 0.000 0.451 313 S N 0.607 116.386 115.700 0.132 0.000 2.355 313 S HA -0.149 4.321 4.470 -0.001 0.000 0.222 313 S C 1.664 176.400 174.600 0.226 0.000 1.031 313 S CA 0.903 59.189 58.200 0.144 0.000 0.993 313 S CB -0.231 63.053 63.200 0.139 0.000 0.859 313 S HN 0.357 nan 8.310 nan 0.000 0.453 314 F N 2.990 123.018 119.950 0.131 0.000 2.134 314 F HA 0.019 4.545 4.527 -0.001 0.000 0.299 314 F C 2.403 178.329 175.800 0.210 0.000 1.097 314 F CA 1.954 60.073 58.000 0.199 0.000 1.264 314 F CB -0.845 38.274 39.000 0.198 0.000 1.001 314 F HN 0.228 nan 8.300 nan 0.000 0.479 315 E N 0.919 121.087 120.200 -0.055 0.000 2.085 315 E HA -0.227 4.122 4.350 -0.001 0.000 0.194 315 E C 2.215 178.691 176.600 -0.207 0.000 0.994 315 E CA 1.445 57.608 56.400 -0.395 0.000 0.801 315 E CB -0.519 29.039 29.700 -0.238 0.000 0.743 315 E HN 0.456 nan 8.360 nan 0.000 0.453 316 A N 0.975 123.759 122.820 -0.060 0.000 1.898 316 A HA -0.161 4.159 4.320 -0.001 0.000 0.216 316 A C 2.155 179.727 177.584 -0.020 0.000 1.181 316 A CA 1.587 53.604 52.037 -0.034 0.000 0.620 316 A CB -0.526 18.471 19.000 -0.006 0.000 0.819 316 A HN 0.390 nan 8.150 nan 0.000 0.442 317 E N -1.337 118.892 120.200 0.048 0.000 2.150 317 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 317 E C 1.698 178.344 176.600 0.077 0.000 0.985 317 E CA 1.094 57.531 56.400 0.061 0.000 0.814 317 E CB -0.227 29.638 29.700 0.276 0.000 0.752 317 E HN 0.584 nan 8.360 nan 0.000 0.466 318 F N 1.818 121.736 119.950 -0.054 0.000 2.046 318 F HA -0.180 4.347 4.527 -0.001 0.000 0.297 318 F C 2.251 178.020 175.800 -0.051 0.000 1.123 318 F CA 1.861 59.835 58.000 -0.043 0.000 1.199 318 F CB -0.126 38.618 39.000 -0.427 0.000 0.972 318 F HN -0.105 nan 8.300 nan 0.000 0.474 319 R N 0.219 120.645 120.500 -0.123 0.000 2.075 319 R HA -0.107 4.233 4.340 -0.001 0.000 0.232 319 R C 2.034 178.217 176.300 -0.195 0.000 1.126 319 R CA 1.761 57.743 56.100 -0.196 0.000 0.963 319 R CB -0.709 29.549 30.300 -0.071 0.000 0.858 319 R HN 0.440 nan 8.270 nan 0.000 0.435 320 E N 0.246 120.351 120.200 -0.158 0.000 2.285 320 E HA -0.102 4.247 4.350 -0.001 0.000 0.194 320 E C 1.732 178.199 176.600 -0.221 0.000 0.997 320 E CA 0.783 57.087 56.400 -0.160 0.000 0.845 320 E CB 0.240 29.864 29.700 -0.126 0.000 0.782 320 E HN 0.243 nan 8.360 nan 0.000 0.491 321 K N -0.333 119.877 120.400 -0.316 0.000 2.524 321 K HA 0.028 4.347 4.320 -0.001 0.000 0.210 321 K C 1.461 177.805 176.600 -0.427 0.000 1.340 321 K CA -0.128 55.876 56.287 -0.471 0.000 0.880 321 K CB -0.182 31.848 32.500 -0.784 0.000 1.616 321 K HN 0.005 nan 8.250 nan 0.000 0.457 322 W N 1.600 122.822 121.300 -0.130 0.000 2.338 322 W HA -0.170 4.489 4.660 -0.001 0.000 0.304 322 W C 1.948 178.338 176.519 -0.215 0.000 1.212 322 W CA 0.357 57.622 57.345 -0.132 0.000 1.264 322 W CB -0.333 29.102 29.460 -0.042 0.000 1.142 322 W HN -0.074 nan 8.180 nan 0.000 0.512 323 V N 0.744 120.525 119.914 -0.220 0.000 2.252 323 V HA -0.311 3.808 4.120 -0.001 0.000 0.249 323 V C 2.272 178.323 176.094 -0.071 0.000 1.056 323 V CA 2.066 64.211 62.300 -0.259 0.000 1.022 323 V CB -0.746 30.835 31.823 -0.404 0.000 0.641 323 V HN 0.127 nan 8.190 nan 0.000 0.445 324 E N -0.609 119.544 120.200 -0.077 0.000 2.158 324 E HA -0.043 4.306 4.350 -0.001 0.000 0.191 324 E C 2.107 178.720 176.600 0.023 0.000 0.982 324 E CA 0.620 57.005 56.400 -0.026 0.000 0.823 324 E CB -0.179 29.489 29.700 -0.054 0.000 0.766 324 E HN 0.482 nan 8.360 nan 0.000 0.468 325 L N -0.224 121.012 121.223 0.021 0.000 2.095 325 L HA -0.044 4.295 4.340 -0.001 0.000 0.204 325 L C 1.896 178.874 176.870 0.180 0.000 1.080 325 L CA 1.338 56.218 54.840 0.067 0.000 0.759 325 L CB -0.078 41.978 42.059 -0.005 0.000 0.914 325 L HN 0.059 nan 8.230 nan 0.000 0.439 326 A N -0.811 122.156 122.820 0.245 0.000 2.080 326 A HA 0.102 4.422 4.320 -0.001 0.000 0.211 326 A C 1.902 179.682 177.584 0.327 0.000 1.708 326 A CA -0.122 52.090 52.037 0.292 0.000 0.825 326 A CB -0.536 18.608 19.000 0.241 0.000 1.261 326 A HN 0.225 nan 8.150 nan 0.000 0.573 327 L N 0.468 121.846 121.223 0.258 0.000 2.137 327 L HA -0.250 4.089 4.340 -0.001 0.000 0.213 327 L C 1.912 178.924 176.870 0.237 0.000 1.085 327 L CA 1.590 56.575 54.840 0.241 0.000 0.760 327 L CB -0.634 41.511 42.059 0.142 0.000 0.893 327 L HN 0.453 nan 8.230 nan 0.000 0.434 328 N N -0.501 118.311 118.700 0.187 0.000 2.591 328 N HA 0.010 4.750 4.740 -0.001 0.000 0.200 328 N C 1.864 177.486 175.510 0.187 0.000 1.040 328 N CA 1.128 54.279 53.050 0.167 0.000 0.911 328 N CB -0.587 37.958 38.487 0.097 0.000 1.259 328 N HN 0.164 nan 8.380 nan 0.000 0.438 329 G N -0.105 108.802 108.800 0.180 0.000 2.450 329 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.220 329 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.220 329 G C 1.213 176.270 174.900 0.263 0.000 1.130 329 G CA 0.528 45.737 45.100 0.182 0.000 0.760 329 G HN 0.277 nan 8.290 nan 0.000 0.557 330 F N 0.640 120.692 119.950 0.169 0.000 2.399 330 F HA 0.265 4.791 4.527 -0.001 0.000 0.282 330 F C 2.271 178.232 175.800 0.269 0.000 1.027 330 F CA 0.622 58.730 58.000 0.180 0.000 1.333 330 F CB -0.049 39.054 39.000 0.172 0.000 1.132 330 F HN 0.094 nan 8.300 nan 0.000 0.590 331 N N 0.227 119.194 118.700 0.445 0.000 2.459 331 N HA -0.142 4.597 4.740 -0.001 0.000 0.181 331 N C 0.893 176.599 175.510 0.325 0.000 1.046 331 N CA 0.866 54.176 53.050 0.433 0.000 0.904 331 N CB -0.093 38.733 38.487 0.565 0.000 0.964 331 N HN 0.179 nan 8.380 nan 0.000 0.444 332 D N 1.002 121.552 120.400 0.249 0.000 2.182 332 D HA -0.146 4.493 4.640 -0.001 0.000 0.201 332 D C 1.103 177.468 176.300 0.109 0.000 0.986 332 D CA 1.011 55.116 54.000 0.175 0.000 0.847 332 D CB -0.190 40.689 40.800 0.132 0.000 0.942 332 D HN 0.231 nan 8.370 nan 0.000 0.467 333 D N 0.328 120.774 120.400 0.076 0.000 2.310 333 D HA -0.094 4.545 4.640 -0.001 0.000 0.212 333 D C 1.251 177.517 176.300 -0.058 0.000 0.965 333 D CA 0.524 54.508 54.000 -0.027 0.000 0.879 333 D CB -0.002 40.721 40.800 -0.127 0.000 0.921 333 D HN 0.245 nan 8.370 nan 0.000 0.510 334 D N 0.400 120.814 120.400 0.023 0.000 2.224 334 D HA -0.078 4.562 4.640 -0.001 0.000 0.205 334 D C 2.180 178.464 176.300 -0.027 0.000 0.965 334 D CA 0.138 54.136 54.000 -0.004 0.000 0.852 334 D CB 0.244 41.095 40.800 0.086 0.000 0.947 334 D HN 0.185 nan 8.370 nan 0.000 0.494 335 I N 1.261 121.839 120.570 0.014 0.000 2.208 335 I HA -0.219 3.951 4.170 -0.001 0.000 0.245 335 I C 2.578 178.694 176.117 -0.003 0.000 1.097 335 I CA 0.696 62.005 61.300 0.014 0.000 1.363 335 I CB -1.248 36.786 38.000 0.056 0.000 1.051 335 I HN 0.101 nan 8.210 nan 0.000 0.413 336 L N 0.779 121.995 121.223 -0.011 0.000 2.042 336 L HA -0.232 4.107 4.340 -0.001 0.000 0.210 336 L C 2.710 179.560 176.870 -0.034 0.000 1.076 336 L CA 1.769 56.596 54.840 -0.020 0.000 0.749 336 L CB -0.305 41.738 42.059 -0.027 0.000 0.893 336 L HN 0.234 nan 8.230 nan 0.000 0.432 337 A N 0.205 122.994 122.820 -0.052 0.000 1.883 337 A HA -0.259 4.060 4.320 -0.001 0.000 0.217 337 A C 2.237 179.784 177.584 -0.062 0.000 1.186 337 A CA 1.844 53.841 52.037 -0.067 0.000 0.624 337 A CB -0.538 18.403 19.000 -0.098 0.000 0.822 337 A HN 0.468 nan 8.150 nan 0.000 0.444 338 R N -0.830 119.634 120.500 -0.060 0.000 2.081 338 R HA -0.085 4.254 4.340 -0.001 0.000 0.235 338 R C 2.458 178.751 176.300 -0.012 0.000 1.131 338 R CA 1.565 57.639 56.100 -0.044 0.000 0.960 338 R CB -0.322 29.976 30.300 -0.002 0.000 0.856 338 R HN 0.487 nan 8.270 nan 0.000 0.436 339 R N -0.162 120.335 120.500 -0.004 0.000 2.092 339 R HA -0.035 4.304 4.340 -0.001 0.000 0.231 339 R C 2.437 178.733 176.300 -0.007 0.000 1.119 339 R CA 1.332 57.430 56.100 -0.002 0.000 0.970 339 R CB -0.227 30.073 30.300 -0.001 0.000 0.864 339 R HN 0.076 nan 8.270 nan 0.000 0.440 340 S N 0.068 115.758 115.700 -0.017 0.000 2.436 340 S HA 0.033 4.502 4.470 -0.001 0.000 0.228 340 S C 1.819 176.412 174.600 -0.012 0.000 1.014 340 S CA 0.753 58.938 58.200 -0.025 0.000 0.950 340 S CB 0.129 63.304 63.200 -0.042 0.000 0.784 340 S HN 0.193 nan 8.310 nan 0.000 0.504 341 M N 0.556 120.165 119.600 0.014 0.000 2.288 341 M HA -0.002 4.477 4.480 -0.001 0.000 0.266 341 M C 2.023 178.422 176.300 0.166 0.000 1.072 341 M CA 1.036 56.402 55.300 0.109 0.000 1.132 341 M CB -0.394 32.275 32.600 0.115 0.000 1.386 341 M HN 0.243 nan 8.290 nan 0.000 0.432 342 E N 1.735 121.977 120.200 0.070 0.000 2.082 342 E HA -0.223 4.127 4.350 -0.001 0.000 0.215 342 E C -0.844 175.785 176.600 0.049 0.000 1.048 342 E CA 2.578 59.007 56.400 0.047 0.000 0.869 342 E CB -1.425 28.280 29.700 0.009 0.000 0.773 342 E HN 0.275 nan 8.360 nan 0.000 0.466 343 P HA -0.144 nan 4.420 nan 0.000 0.218 343 P C 1.443 178.752 177.300 0.016 0.000 1.149 343 P CA 1.160 64.270 63.100 0.018 0.000 0.817 343 P CB -0.265 31.442 31.700 0.013 0.000 0.785 344 F N -0.187 119.652 119.950 -0.184 0.000 2.234 344 F HA -0.117 4.409 4.527 -0.001 0.000 0.299 344 F C 1.774 177.231 175.800 -0.572 0.000 1.087 344 F CA 1.290 59.067 58.000 -0.372 0.000 1.340 344 F CB -0.624 38.098 39.000 -0.463 0.000 1.031 344 F HN -0.200 nan 8.300 nan 0.000 0.500 345 Y N -1.159 118.960 120.300 -0.301 0.000 2.458 345 Y HA 0.365 4.914 4.550 -0.001 0.000 0.254 345 Y C 2.223 177.951 175.900 -0.287 0.000 1.120 345 Y CA 0.389 58.150 58.100 -0.566 0.000 1.282 345 Y CB -0.774 37.226 38.460 -0.767 0.000 1.109 345 Y HN 0.042 nan 8.280 nan 0.000 0.526 346 A N 0.564 123.362 122.820 -0.036 0.000 1.978 346 A HA -0.196 4.124 4.320 -0.001 0.000 0.220 346 A C 1.417 179.006 177.584 0.008 0.000 1.170 346 A CA 2.083 54.123 52.037 0.006 0.000 0.636 346 A CB -0.551 18.448 19.000 -0.002 0.000 0.810 346 A HN 0.478 nan 8.150 nan 0.000 0.448 347 D N -2.498 117.875 120.400 -0.046 0.000 2.388 347 D HA 0.225 4.865 4.640 -0.001 0.000 0.221 347 D C -0.274 176.016 176.300 -0.017 0.000 1.133 347 D CA 0.457 54.441 54.000 -0.028 0.000 0.831 347 D CB -0.248 40.521 40.800 -0.052 0.000 0.962 347 D HN 0.299 nan 8.370 nan 0.000 0.502 348 D N 0.031 120.443 120.400 0.021 0.000 2.946 348 D HA -0.269 4.370 4.640 -0.001 0.000 0.202 348 D C 1.584 177.877 176.300 -0.011 0.000 1.068 348 D CA 1.584 55.688 54.000 0.175 0.000 1.011 348 D CB -0.945 39.984 40.800 0.216 0.000 1.105 348 D HN 0.579 nan 8.370 nan 0.000 0.425 349 R N 0.485 120.838 120.500 -0.246 0.000 2.092 349 R HA 0.023 4.363 4.340 -0.001 0.000 0.231 349 R C 2.271 178.157 176.300 -0.690 0.000 1.119 349 R CA 1.739 57.626 56.100 -0.356 0.000 0.970 349 R CB -0.820 29.267 30.300 -0.355 0.000 0.864 349 R HN 0.232 nan 8.270 nan 0.000 0.440 350 G N 1.240 109.273 108.800 -1.278 0.000 2.440 350 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.218 350 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.218 350 G C 0.867 175.273 174.900 -0.822 0.000 1.154 350 G CA 0.730 44.587 45.100 -2.072 0.000 0.767 350 G HN 0.547 nan 8.290 nan 0.000 0.552 351 W N 0.866 122.144 121.300 -0.037 0.000 2.364 351 W HA -0.010 4.649 4.660 -0.002 0.000 0.281 351 W C 2.668 179.314 176.519 0.213 0.000 1.219 351 W CA 0.683 58.208 57.345 0.301 0.000 1.220 351 W CB 0.025 29.687 29.460 0.336 0.000 1.127 351 W HN 0.092 nan 8.180 nan 0.000 0.556 352 R N 0.024 120.636 120.500 0.185 0.000 2.175 352 R HA 0.096 4.435 4.340 -0.001 0.000 0.202 352 R C 1.420 177.759 176.300 0.064 0.000 1.018 352 R CA 0.740 56.911 56.100 0.119 0.000 1.029 352 R CB -0.641 29.688 30.300 0.048 0.000 0.959 352 R HN 0.349 nan 8.270 nan 0.000 0.480 353 E N 1.868 122.042 120.200 -0.044 0.000 2.400 353 E HA -0.026 4.324 4.350 -0.001 0.000 0.195 353 E C 0.020 176.737 176.600 0.196 0.000 1.012 353 E CA -0.106 56.317 56.400 0.039 0.000 0.875 353 E CB 0.201 29.896 29.700 -0.008 0.000 0.859 353 E HN 0.475 nan 8.360 nan 0.000 0.498 354 E N 1.211 121.545 120.200 0.223 0.000 2.437 354 E HA 0.069 4.419 4.350 -0.001 0.000 0.263 354 E C -0.417 176.300 176.600 0.195 0.000 1.030 354 E CA 0.040 56.625 56.400 0.309 0.000 0.934 354 E CB 0.969 30.891 29.700 0.370 0.000 0.943 354 E HN -0.218 nan 8.360 nan 0.000 0.444 355 V N 4.673 124.661 119.914 0.124 0.000 2.305 355 V HA 0.194 4.313 4.120 -0.001 0.000 0.275 355 V C 0.117 176.259 176.094 0.080 0.000 1.020 355 V CA -0.563 61.788 62.300 0.085 0.000 0.811 355 V CB 0.306 32.142 31.823 0.022 0.000 1.031 355 V HN 0.575 nan 8.190 nan 0.000 0.439 356 L N 4.980 126.294 121.223 0.152 0.000 2.456 356 L HA 0.606 4.945 4.340 -0.001 0.000 0.257 356 L C 0.105 177.147 176.870 0.288 0.000 1.162 356 L CA -0.241 54.725 54.840 0.210 0.000 0.808 356 L CB 0.798 42.988 42.059 0.219 0.000 1.136 356 L HN 0.639 nan 8.230 nan 0.000 0.466 357 F N -1.204 118.766 119.950 0.033 0.000 2.814 357 F HA 0.512 5.038 4.527 -0.001 0.000 0.353 357 F C 0.990 176.802 175.800 0.019 0.000 1.177 357 F CA -1.688 56.325 58.000 0.022 0.000 1.036 357 F CB 0.120 39.124 39.000 0.007 0.000 1.455 357 F HN 0.336 nan 8.300 nan 0.000 0.520 358 E N 0.747 120.853 120.200 -0.157 0.000 2.108 358 E HA -0.182 4.167 4.350 -0.001 0.000 0.203 358 E C 1.969 178.377 176.600 -0.321 0.000 1.022 358 E CA 3.107 59.361 56.400 -0.244 0.000 0.823 358 E CB -0.590 28.978 29.700 -0.219 0.000 0.744 358 E HN 0.634 nan 8.360 nan 0.000 0.456 359 S N 0.328 115.665 115.700 -0.605 0.000 2.603 359 S HA -0.066 4.403 4.470 -0.001 0.000 0.229 359 S C 0.804 175.281 174.600 -0.205 0.000 0.972 359 S CA 0.665 58.638 58.200 -0.379 0.000 0.935 359 S CB 0.044 63.008 63.200 -0.393 0.000 0.769 359 S HN 0.107 nan 8.310 nan 0.000 0.536 360 D N 1.388 121.723 120.400 -0.109 0.000 2.340 360 D HA 0.090 4.729 4.640 -0.001 0.000 0.220 360 D C 1.816 178.098 176.300 -0.029 0.000 1.039 360 D CA 0.119 54.117 54.000 -0.003 0.000 0.866 360 D CB -0.043 40.833 40.800 0.127 0.000 0.913 360 D HN 0.302 nan 8.370 nan 0.000 0.523 361 R N 1.919 122.387 120.500 -0.054 0.000 2.091 361 R HA -0.103 4.236 4.340 -0.001 0.000 0.238 361 R C 1.898 178.180 176.300 -0.029 0.000 1.136 361 R CA 1.765 57.846 56.100 -0.031 0.000 0.959 361 R CB -0.755 29.520 30.300 -0.043 0.000 0.856 361 R HN 0.046 nan 8.270 nan 0.000 0.437 362 A N 0.346 123.115 122.820 -0.085 0.000 1.883 362 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 362 A C 2.188 179.842 177.584 0.116 0.000 1.186 362 A CA 1.685 53.683 52.037 -0.065 0.000 0.624 362 A CB -0.700 18.042 19.000 -0.430 0.000 0.822 362 A HN 0.395 nan 8.150 nan 0.000 0.444 363 I N -0.090 120.488 120.570 0.014 0.000 2.315 363 I HA -0.168 4.001 4.170 -0.001 0.000 0.248 363 I C 2.119 178.238 176.117 0.004 0.000 1.117 363 I CA 0.975 62.358 61.300 0.137 0.000 1.404 363 I CB -0.226 37.793 38.000 0.032 0.000 1.071 363 I HN 0.375 nan 8.210 nan 0.000 0.419 364 I N 0.219 120.730 120.570 -0.100 0.000 2.226 364 I HA -0.260 3.910 4.170 -0.001 0.000 0.245 364 I C 2.275 178.291 176.117 -0.168 0.000 1.100 364 I CA 1.111 62.266 61.300 -0.242 0.000 1.374 364 I CB -0.501 37.462 38.000 -0.062 0.000 1.057 364 I HN 0.207 nan 8.210 nan 0.000 0.413 365 E N 0.246 120.437 120.200 -0.014 0.000 2.106 365 E HA -0.244 4.106 4.350 -0.001 0.000 0.192 365 E C 1.742 178.332 176.600 -0.018 0.000 0.984 365 E CA 1.154 57.563 56.400 0.015 0.000 0.806 365 E CB -0.440 29.303 29.700 0.072 0.000 0.750 365 E HN 0.685 nan 8.360 nan 0.000 0.458 366 W N 1.935 123.150 121.300 -0.141 0.000 2.381 366 W HA -0.161 4.498 4.660 -0.001 0.000 0.301 366 W C 1.746 178.047 176.519 -0.363 0.000 1.205 366 W CA 1.056 58.249 57.345 -0.254 0.000 1.285 366 W CB -0.261 29.052 29.460 -0.244 0.000 1.133 366 W HN -0.007 nan 8.180 nan 0.000 0.521 367 R N 0.241 120.209 120.500 -0.887 0.000 2.081 367 R HA -0.136 4.204 4.340 -0.001 0.000 0.235 367 R C 2.609 178.502 176.300 -0.678 0.000 1.131 367 R CA 2.235 57.580 56.100 -1.258 0.000 0.960 367 R CB -0.362 29.140 30.300 -1.329 0.000 0.856 367 R HN 0.150 nan 8.270 nan 0.000 0.436 368 R N 0.139 120.434 120.500 -0.342 0.000 2.066 368 R HA -0.101 4.238 4.340 -0.001 0.000 0.232 368 R C 2.410 178.625 176.300 -0.142 0.000 1.131 368 R CA 1.341 57.399 56.100 -0.070 0.000 0.955 368 R CB -0.524 29.801 30.300 0.042 0.000 0.851 368 R HN 0.217 nan 8.270 nan 0.000 0.432 369 L N 0.624 121.744 121.223 -0.171 0.000 2.046 369 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 369 L C 2.409 179.173 176.870 -0.177 0.000 1.077 369 L CA 1.611 56.420 54.840 -0.051 0.000 0.747 369 L CB -0.337 41.689 42.059 -0.054 0.000 0.896 369 L HN 0.190 nan 8.230 nan 0.000 0.432 370 A N -0.979 121.498 122.820 -0.572 0.000 1.902 370 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 370 A C 2.372 179.696 177.584 -0.434 0.000 1.181 370 A CA 2.011 53.639 52.037 -0.682 0.000 0.623 370 A CB -0.821 17.429 19.000 -1.250 0.000 0.818 370 A HN 0.533 nan 8.150 nan 0.000 0.443 371 S N -0.909 114.618 115.700 -0.288 0.000 2.368 371 S HA -0.200 4.270 4.470 -0.001 0.000 0.225 371 S C 2.155 176.643 174.600 -0.187 0.000 1.030 371 S CA 1.539 59.663 58.200 -0.126 0.000 0.999 371 S CB -0.252 62.929 63.200 -0.032 0.000 0.844 371 S HN 0.748 nan 8.310 nan 0.000 0.459 372 Q N -0.692 118.960 119.800 -0.246 0.000 2.137 372 Q HA -0.033 4.307 4.340 -0.001 0.000 0.198 372 Q C 0.898 176.559 176.000 -0.565 0.000 0.960 372 Q CA 1.169 56.721 55.803 -0.418 0.000 0.847 372 Q CB -0.009 28.393 28.738 -0.560 0.000 0.915 372 Q HN 0.639 nan 8.270 nan 0.000 0.448 373 Y N 0.620 120.822 120.300 -0.164 0.000 2.458 373 Y HA 0.132 4.681 4.550 -0.001 0.000 0.256 373 Y C 0.063 175.872 175.900 -0.151 0.000 1.159 373 Y CA -0.464 57.558 58.100 -0.131 0.000 1.261 373 Y CB -0.035 38.370 38.460 -0.092 0.000 1.119 373 Y HN 0.271 nan 8.280 nan 0.000 0.524 374 N N 0.584 119.150 118.700 -0.224 0.000 2.416 374 N HA 0.002 4.742 4.740 -0.001 0.000 0.246 374 N C 0.254 175.759 175.510 -0.008 0.000 1.260 374 N CA -0.233 52.640 53.050 -0.295 0.000 0.897 374 N CB 0.540 38.308 38.487 -1.199 0.000 1.110 374 N HN 0.102 nan 8.380 nan 0.000 0.439 375 R N 0.376 120.990 120.500 0.190 0.000 2.391 375 R HA 0.310 4.650 4.340 -0.001 0.000 0.249 375 R C -0.048 176.288 176.300 0.061 0.000 0.957 375 R CA -0.056 56.053 56.100 0.015 0.000 1.093 375 R CB -0.216 29.959 30.300 -0.208 0.000 1.156 375 R HN 0.810 nan 8.270 nan 0.000 0.526 376 G N 0.557 109.432 108.800 0.125 0.000 2.307 376 G HA2 0.032 3.992 3.960 -0.001 0.000 0.348 376 G HA3 0.032 3.992 3.960 -0.001 0.000 0.348 376 G C -1.410 173.653 174.900 0.272 0.000 1.603 376 G CA -1.066 44.123 45.100 0.150 0.000 0.961 376 G HN -0.040 nan 8.290 nan 0.000 0.686 377 I N 1.656 122.358 120.570 0.220 0.000 2.304 377 I HA 0.304 4.473 4.170 -0.001 0.000 0.291 377 I C 0.729 176.934 176.117 0.146 0.000 1.018 377 I CA -0.734 60.713 61.300 0.245 0.000 1.260 377 I CB 1.107 39.217 38.000 0.184 0.000 1.390 377 I HN 0.696 nan 8.210 nan 0.000 0.475 378 Q N 5.705 125.576 119.800 0.119 0.000 2.311 378 Q HA 0.263 4.603 4.340 -0.001 0.000 0.272 378 Q C -0.150 175.876 176.000 0.042 0.000 1.012 378 Q CA 0.238 56.073 55.803 0.053 0.000 0.891 378 Q CB 0.698 29.431 28.738 -0.007 0.000 1.201 378 Q HN 0.830 nan 8.270 nan 0.000 0.391 379 T N 1.158 115.734 114.554 0.036 0.000 2.916 379 T HA 0.760 5.110 4.350 -0.001 0.000 0.292 379 T C -0.356 174.360 174.700 0.026 0.000 1.064 379 T CA -1.025 61.096 62.100 0.034 0.000 1.011 379 T CB 1.956 70.846 68.868 0.036 0.000 1.152 379 T HN 0.659 nan 8.240 nan 0.000 0.510 380 R N -0.452 120.064 120.500 0.027 0.000 3.067 380 R HA 0.668 5.007 4.340 -0.001 0.000 0.222 380 R C -0.768 175.546 176.300 0.022 0.000 1.551 380 R CA -0.695 55.420 56.100 0.024 0.000 1.034 380 R CB 0.945 31.260 30.300 0.026 0.000 1.889 380 R HN 0.772 nan 8.270 nan 0.000 0.526 381 D N 0.000 120.412 120.400 0.021 0.000 6.856 381 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 381 D CA 0.000 54.011 54.000 0.018 0.000 0.868 381 D CB 0.000 40.809 40.800 0.016 0.000 0.688 381 D HN 0.000 nan 8.370 nan 0.000 0.683