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_E 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 QTR 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 0.000 177.568 177.584 -0.026 0.000 1.274 8 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 8 A CB 0.000 18.986 19.000 -0.024 0.000 0.831 9 G N 0.554 109.341 108.800 -0.021 0.000 2.453 9 G HA2 -0.018 3.942 3.960 0.001 0.000 0.215 9 G HA3 -0.018 3.942 3.960 0.001 0.000 0.215 9 G C 1.333 176.216 174.900 -0.028 0.000 1.201 9 G CA 1.580 46.666 45.100 -0.024 0.000 0.784 9 G HN 0.781 nan 8.290 nan 0.000 0.545 10 I N 1.575 122.134 120.570 -0.019 0.000 2.546 10 I HA 0.149 4.320 4.170 0.001 0.000 0.255 10 I C 2.831 178.932 176.117 -0.026 0.000 1.163 10 I CA 0.973 62.263 61.300 -0.017 0.000 1.457 10 I CB -0.219 37.779 38.000 -0.003 0.000 1.092 10 I HN 0.177 nan 8.210 nan 0.000 0.434 11 A N -0.012 122.791 122.820 -0.028 0.000 1.898 11 A HA -0.197 4.124 4.320 0.001 0.000 0.216 11 A C 2.334 179.866 177.584 -0.087 0.000 1.181 11 A CA 1.662 53.676 52.037 -0.037 0.000 0.620 11 A CB -0.758 18.228 19.000 -0.023 0.000 0.819 11 A HN 0.493 nan 8.150 nan 0.000 0.442 12 E N 0.566 120.717 120.200 -0.082 0.000 2.058 12 E HA -0.211 4.140 4.350 0.001 0.000 0.194 12 E C 2.214 178.730 176.600 -0.139 0.000 0.997 12 E CA 1.319 57.653 56.400 -0.110 0.000 0.801 12 E CB -0.318 29.336 29.700 -0.077 0.000 0.746 12 E HN 0.611 nan 8.360 nan 0.000 0.450 13 R N 0.022 120.463 120.500 -0.100 0.000 2.081 13 R HA -0.107 4.233 4.340 0.001 0.000 0.235 13 R C 2.746 178.972 176.300 -0.123 0.000 1.131 13 R CA 1.546 57.590 56.100 -0.095 0.000 0.960 13 R CB -0.373 29.895 30.300 -0.054 0.000 0.856 13 R HN 0.129 nan 8.270 nan 0.000 0.436 14 R N 0.822 121.252 120.500 -0.117 0.000 2.092 14 R HA -0.085 4.256 4.340 0.001 0.000 0.231 14 R C 1.718 177.816 176.300 -0.337 0.000 1.119 14 R CA 1.890 57.924 56.100 -0.109 0.000 0.970 14 R CB -0.029 30.263 30.300 -0.013 0.000 0.864 14 R HN 0.268 nan 8.270 nan 0.000 0.440 15 T N -2.827 111.397 114.554 -0.549 0.000 3.086 15 T HA 0.132 4.482 4.350 0.001 0.000 0.250 15 T C 1.577 175.698 174.700 -0.964 0.000 1.074 15 T CA -0.186 61.181 62.100 -1.220 0.000 0.988 15 T CB 0.051 68.368 68.868 -0.919 0.000 0.988 15 T HN 0.198 nan 8.240 nan 0.000 0.530 16 R N 1.693 121.880 120.500 -0.522 0.000 2.112 16 R HA -0.058 4.282 4.340 0.001 0.000 0.242 16 R C 2.554 178.676 176.300 -0.296 0.000 1.137 16 R CA 1.887 57.792 56.100 -0.326 0.000 0.944 16 R CB -0.904 29.277 30.300 -0.197 0.000 0.857 16 R HN 0.466 nan 8.270 nan 0.000 0.435 17 A N 0.241 122.891 122.820 -0.283 0.000 2.178 17 A HA -0.108 4.212 4.320 0.001 0.000 0.218 17 A C 0.686 178.287 177.584 0.028 0.000 1.157 17 A CA 1.198 53.179 52.037 -0.092 0.000 0.689 17 A CB -0.485 18.542 19.000 0.045 0.000 0.787 17 A HN 0.730 nan 8.150 nan 0.000 0.465 18 W N -3.684 117.560 121.300 -0.093 0.000 1.641 18 W HA 0.657 5.317 4.660 0.001 0.000 0.294 18 W C 0.709 177.172 176.519 -0.092 0.000 0.886 18 W CA -0.287 56.986 57.345 -0.119 0.000 2.194 18 W CB -1.007 28.345 29.460 -0.181 0.000 1.139 18 W HN 0.201 nan 8.180 nan 0.000 0.502 19 A N 1.983 124.768 122.820 -0.058 0.000 1.933 19 A HA -0.076 4.244 4.320 0.001 0.000 0.218 19 A C -0.153 177.437 177.584 0.009 0.000 1.175 19 A CA 1.619 53.612 52.037 -0.072 0.000 0.628 19 A CB -1.426 17.512 19.000 -0.104 0.000 0.814 19 A HN 0.084 nan 8.150 nan 0.000 0.444 20 P HA -0.165 nan 4.420 nan 0.000 0.217 20 P C 1.406 178.821 177.300 0.192 0.000 1.150 20 P CA 1.097 64.259 63.100 0.104 0.000 0.832 20 P CB -0.153 31.599 31.700 0.087 0.000 0.787 21 Y N 0.365 120.696 120.300 0.051 0.000 2.181 21 Y HA -0.171 4.379 4.550 0.001 0.000 0.288 21 Y C 2.025 177.811 175.900 -0.190 0.000 1.146 21 Y CA 1.360 59.463 58.100 0.005 0.000 1.164 21 Y CB -1.002 37.379 38.460 -0.133 0.000 0.982 21 Y HN -0.176 nan 8.280 nan 0.000 0.515 22 I N 0.065 120.494 120.570 -0.236 0.000 2.335 22 I HA -0.304 3.867 4.170 0.001 0.000 0.251 22 I C 1.436 177.426 176.117 -0.212 0.000 1.129 22 I CA 1.937 62.940 61.300 -0.495 0.000 1.402 22 I CB -0.354 37.438 38.000 -0.347 0.000 1.069 22 I HN 0.210 nan 8.210 nan 0.000 0.424 23 D N 0.577 120.928 120.400 -0.081 0.000 2.348 23 D HA 0.075 4.715 4.640 0.001 0.000 0.211 23 D C 1.382 177.694 176.300 0.021 0.000 0.998 23 D CA 0.289 54.286 54.000 -0.004 0.000 0.873 23 D CB 0.145 40.963 40.800 0.030 0.000 0.925 23 D HN 0.230 nan 8.370 nan 0.000 0.524 24 A N 0.701 123.523 122.820 0.003 0.000 2.958 24 A HA 0.039 4.359 4.320 0.001 0.000 0.247 24 A C 1.627 179.276 177.584 0.107 0.000 1.679 24 A CA -0.012 52.048 52.037 0.039 0.000 1.345 24 A CB -0.551 18.441 19.000 -0.013 0.000 1.013 24 A HN 0.048 nan 8.150 nan 0.000 0.641 25 K N -0.520 119.936 120.400 0.093 0.000 2.209 25 K HA -0.076 4.245 4.320 0.001 0.000 0.204 25 K C 0.857 177.617 176.600 0.266 0.000 1.048 25 K CA 1.105 57.484 56.287 0.153 0.000 0.940 25 K CB -0.061 32.498 32.500 0.099 0.000 0.729 25 K HN 0.467 nan 8.250 nan 0.000 0.451 26 L N -0.015 121.296 121.223 0.146 0.000 2.667 26 L HA 0.300 4.641 4.340 0.001 0.000 0.232 26 L C 0.381 177.132 176.870 -0.198 0.000 1.138 26 L CA 0.924 55.781 54.840 0.028 0.000 0.921 26 L CB 0.488 42.551 42.059 0.006 0.000 1.180 26 L HN 0.419 nan 8.230 nan 0.000 0.487 27 G N -1.280 107.361 108.800 -0.264 0.000 2.610 27 G HA2 -0.194 3.767 3.960 0.001 0.000 0.304 27 G HA3 -0.194 3.767 3.960 0.001 0.000 0.304 27 G C -0.737 173.907 174.900 -0.426 0.000 1.309 27 G CA -0.726 43.875 45.100 -0.831 0.000 0.906 27 G HN -0.116 nan 8.290 nan 0.000 0.521 28 F N 0.844 120.767 119.950 -0.046 0.000 2.415 28 F HA 0.706 5.234 4.527 0.001 0.000 0.348 28 F C 1.056 177.013 175.800 0.261 0.000 1.119 28 F CA -0.685 57.412 58.000 0.161 0.000 1.069 28 F CB 1.715 40.828 39.000 0.189 0.000 1.124 28 F HN 0.661 nan 8.300 nan 0.000 0.472 29 R N 2.250 122.973 120.500 0.371 0.000 2.560 29 R HA 0.271 4.612 4.340 0.001 0.000 0.270 29 R C 0.041 176.404 176.300 0.106 0.000 1.074 29 R CA -0.127 56.084 56.100 0.184 0.000 1.140 29 R CB 0.352 30.708 30.300 0.094 0.000 1.073 29 R HN 0.785 nan 8.270 nan 0.000 0.527 30 N N 1.920 120.517 118.700 -0.172 0.000 2.816 30 N HA -0.178 4.563 4.740 0.001 0.000 0.247 30 N C -1.530 173.661 175.510 -0.533 0.000 1.100 30 N CA 0.840 53.644 53.050 -0.409 0.000 0.687 30 N CB -1.214 37.231 38.487 -0.071 0.000 1.003 30 N HN 0.590 nan 8.380 nan 0.000 0.554 31 H N -1.755 117.032 119.070 -0.470 0.000 2.985 31 H HA 0.301 4.858 4.556 0.001 0.000 0.360 31 H C -0.318 174.764 175.328 -0.410 0.000 1.221 31 H CA -0.381 55.552 56.048 -0.193 0.000 1.121 31 H CB 0.773 30.461 29.762 -0.123 0.000 1.854 31 H HN 0.041 nan 8.280 nan 0.000 0.551 32 W N 1.185 122.530 121.300 0.075 0.000 2.316 32 W HA 0.373 5.033 4.660 0.001 0.000 0.321 32 W C -0.698 175.797 176.519 -0.040 0.000 1.203 32 W CA -0.160 57.273 57.345 0.147 0.000 1.214 32 W CB 0.586 30.169 29.460 0.206 0.000 1.169 32 W HN 0.325 nan 8.180 nan 0.000 0.561 33 Y N 3.148 123.779 120.300 0.552 0.000 2.421 33 Y HA 0.329 4.880 4.550 0.001 0.000 0.339 33 Y C -2.079 173.846 175.900 0.042 0.000 0.996 33 Y CA -2.868 55.412 58.100 0.300 0.000 1.046 33 Y CB 1.919 40.456 38.460 0.128 0.000 1.226 33 Y HN 0.119 nan 8.280 nan 0.000 0.445 34 P HA 0.144 nan 4.420 nan 0.000 0.280 34 P C 0.212 177.259 177.300 -0.421 0.000 1.244 34 P CA -0.126 62.444 63.100 -0.883 0.000 0.784 34 P CB 2.253 32.980 31.700 -1.623 0.000 0.913 35 V N 0.187 119.901 119.914 -0.333 0.000 3.539 35 V HA 0.483 4.604 4.120 0.001 0.000 0.262 35 V C 0.678 176.608 176.094 -0.273 0.000 1.381 35 V CA 0.379 62.533 62.300 -0.244 0.000 1.060 35 V CB -0.367 31.360 31.823 -0.159 0.000 0.842 35 V HN 0.417 nan 8.190 nan 0.000 0.445 36 R N -0.509 119.849 120.500 -0.237 0.000 2.692 36 R HA 0.670 5.011 4.340 0.001 0.000 0.269 36 R C -1.570 174.682 176.300 -0.081 0.000 1.030 36 R CA -0.624 55.397 56.100 -0.131 0.000 0.882 36 R CB 1.602 31.852 30.300 -0.084 0.000 1.250 36 R HN 0.291 nan 8.270 nan 0.000 0.465 37 L N 1.847 123.091 121.223 0.035 0.000 2.417 37 L HA 0.230 4.571 4.340 0.001 0.000 0.268 37 L C 1.161 178.015 176.870 -0.027 0.000 1.158 37 L CA -0.145 54.691 54.840 -0.006 0.000 0.819 37 L CB 1.387 43.456 42.059 0.017 0.000 1.112 37 L HN 0.800 nan 8.230 nan 0.000 0.458 38 S N 1.898 117.573 115.700 -0.042 0.000 2.365 38 S HA -0.266 4.204 4.470 0.001 0.000 0.225 38 S C 1.940 176.521 174.600 -0.032 0.000 1.039 38 S CA 1.690 59.866 58.200 -0.040 0.000 1.033 38 S CB -0.257 62.920 63.200 -0.039 0.000 0.887 38 S HN 0.827 nan 8.310 nan 0.000 0.447 39 A N 1.197 124.004 122.820 -0.022 0.000 2.024 39 A HA -0.152 4.169 4.320 0.001 0.000 0.220 39 A C 1.871 179.444 177.584 -0.017 0.000 1.164 39 A CA 1.383 53.409 52.037 -0.018 0.000 0.643 39 A CB -0.464 18.529 19.000 -0.012 0.000 0.806 39 A HN 0.605 nan 8.150 nan 0.000 0.451 40 E N -0.702 119.493 120.200 -0.009 0.000 2.427 40 E HA 0.043 4.393 4.350 0.001 0.000 0.196 40 E C -0.475 176.113 176.600 -0.020 0.000 1.028 40 E CA 0.267 56.666 56.400 -0.001 0.000 0.864 40 E CB 0.160 29.881 29.700 0.034 0.000 0.813 40 E HN 0.331 nan 8.360 nan 0.000 0.514 41 V N 1.878 121.771 119.914 -0.035 0.000 2.220 41 V HA 0.347 4.467 4.120 0.001 0.000 0.265 41 V C 0.073 176.127 176.094 -0.066 0.000 1.078 41 V CA -0.553 61.713 62.300 -0.057 0.000 0.872 41 V CB 0.517 32.301 31.823 -0.064 0.000 1.121 41 V HN 0.106 nan 8.190 nan 0.000 0.460 42 A N 2.485 125.268 122.820 -0.062 0.000 2.287 42 A HA 0.645 4.965 4.320 0.001 0.000 0.273 42 A C 0.309 177.844 177.584 -0.081 0.000 1.091 42 A CA -0.390 51.611 52.037 -0.060 0.000 0.817 42 A CB 0.492 19.466 19.000 -0.043 0.000 1.069 42 A HN 0.721 nan 8.150 nan 0.000 0.492 43 E N 0.727 120.886 120.200 -0.069 0.000 2.465 43 E HA 0.310 4.660 4.350 0.001 0.000 0.260 43 E C 0.803 177.355 176.600 -0.080 0.000 0.980 43 E CA 1.342 57.697 56.400 -0.075 0.000 0.927 43 E CB -0.020 29.651 29.700 -0.048 0.000 0.934 43 E HN 1.887 nan 8.360 nan 0.000 0.459 44 A N 3.542 126.295 122.820 -0.111 0.000 2.748 44 A HA -0.221 4.100 4.320 0.001 0.000 0.297 44 A C 0.519 178.056 177.584 -0.080 0.000 1.508 44 A CA 1.291 53.270 52.037 -0.098 0.000 0.799 44 A CB -1.925 17.050 19.000 -0.041 0.000 1.011 44 A HN 0.497 nan 8.150 nan 0.000 0.500 45 S N -0.340 115.297 115.700 -0.106 0.000 2.216 45 S HA 0.545 5.016 4.470 0.001 0.000 0.156 45 S C -2.688 171.862 174.600 -0.082 0.000 1.665 45 S CA -1.024 57.135 58.200 -0.067 0.000 1.262 45 S CB 0.348 63.518 63.200 -0.050 0.000 1.207 45 S HN 0.260 nan 8.310 nan 0.000 0.427 46 P HA 0.079 nan 4.420 nan 0.000 0.264 46 P C -0.840 176.463 177.300 0.005 0.000 1.183 46 P CA -0.024 63.049 63.100 -0.045 0.000 0.763 46 P CB 0.563 32.337 31.700 0.124 0.000 0.807 47 V N 1.768 121.683 119.914 0.001 0.000 2.577 47 V HA 0.673 4.793 4.120 0.001 0.000 0.303 47 V C -2.618 173.489 176.094 0.022 0.000 1.042 47 V CA -2.776 59.528 62.300 0.007 0.000 0.872 47 V CB 2.140 33.954 31.823 -0.016 0.000 0.998 47 V HN 0.354 nan 8.190 nan 0.000 0.423 48 P HA 0.585 nan 4.420 nan 0.000 0.288 48 P C -0.621 176.667 177.300 -0.021 0.000 1.267 48 P CA -0.260 62.850 63.100 0.018 0.000 0.815 48 P CB 2.044 33.760 31.700 0.027 0.000 0.989 49 V N -0.205 119.682 119.914 -0.044 0.000 3.160 49 V HA 0.676 4.796 4.120 0.001 0.000 0.310 49 V C -1.093 174.947 176.094 -0.090 0.000 1.181 49 V CA -1.020 61.233 62.300 -0.078 0.000 1.047 49 V CB 2.015 33.775 31.823 -0.106 0.000 1.068 49 V HN 0.602 nan 8.190 nan 0.000 0.441 50 Q N 1.714 121.455 119.800 -0.098 0.000 2.285 50 Q HA 0.784 5.124 4.340 0.001 0.000 0.269 50 Q C -1.755 174.179 176.000 -0.110 0.000 1.030 50 Q CA -0.801 54.945 55.803 -0.095 0.000 0.788 50 Q CB 2.248 30.946 28.738 -0.068 0.000 1.266 50 Q HN 1.056 nan 8.270 nan 0.000 0.438 51 L N 1.318 122.462 121.223 -0.132 0.000 2.445 51 L HA 0.590 4.930 4.340 0.001 0.000 0.262 51 L C -0.629 176.136 176.870 -0.175 0.000 0.974 51 L CA -1.148 53.591 54.840 -0.168 0.000 0.822 51 L CB 1.618 43.555 42.059 -0.203 0.000 1.339 51 L HN 0.706 nan 8.230 nan 0.000 0.409 52 L N 3.355 124.447 121.223 -0.218 0.000 3.839 52 L HA -0.186 4.155 4.340 0.001 0.000 0.416 52 L C 1.314 178.132 176.870 -0.087 0.000 1.195 52 L CA 1.497 56.217 54.840 -0.199 0.000 0.946 52 L CB -1.805 40.103 42.059 -0.252 0.000 1.891 52 L HN 1.298 nan 8.230 nan 0.000 0.963 53 G N -2.045 106.721 108.800 -0.056 0.000 2.179 53 G HA2 -0.294 3.667 3.960 0.001 0.000 0.260 53 G HA3 -0.294 3.667 3.960 0.001 0.000 0.260 53 G C 0.259 175.152 174.900 -0.011 0.000 0.977 53 G CA 0.452 45.541 45.100 -0.018 0.000 0.641 53 G HN 0.528 nan 8.290 nan 0.000 0.533 54 E N 0.509 120.695 120.200 -0.022 0.000 2.175 54 E HA 0.453 4.803 4.350 0.001 0.000 0.278 54 E C -0.138 176.441 176.600 -0.036 0.000 0.969 54 E CA -0.623 55.781 56.400 0.006 0.000 0.796 54 E CB 1.109 30.852 29.700 0.072 0.000 1.104 54 E HN 0.245 nan 8.360 nan 0.000 0.395 55 K N 2.221 122.615 120.400 -0.010 0.000 2.276 55 K HA 0.323 4.643 4.320 0.001 0.000 0.285 55 K C -0.732 175.846 176.600 -0.037 0.000 1.062 55 K CA -0.336 55.935 56.287 -0.027 0.000 0.918 55 K CB 1.092 33.592 32.500 0.000 0.000 1.055 55 K HN 0.180 nan 8.250 nan 0.000 0.477 56 V N 4.193 124.048 119.914 -0.098 0.000 2.864 56 V HA 0.428 4.548 4.120 0.001 0.000 0.314 56 V C -0.516 175.566 176.094 -0.019 0.000 1.073 56 V CA -1.076 61.148 62.300 -0.126 0.000 0.956 56 V CB 2.068 33.658 31.823 -0.388 0.000 1.023 56 V HN 0.649 nan 8.190 nan 0.000 0.435 57 L N 4.253 125.521 121.223 0.076 0.000 2.325 57 L HA 0.619 4.960 4.340 0.001 0.000 0.281 57 L C -1.163 175.857 176.870 0.250 0.000 1.004 57 L CA -0.446 54.499 54.840 0.175 0.000 0.823 57 L CB 1.492 43.708 42.059 0.261 0.000 1.236 57 L HN 0.545 nan 8.230 nan 0.000 0.415 58 L N 4.192 125.493 121.223 0.130 0.000 2.334 58 L HA 0.620 4.961 4.340 0.001 0.000 0.272 58 L C -0.556 176.229 176.870 -0.141 0.000 1.020 58 L CA -0.649 54.218 54.840 0.044 0.000 0.812 58 L CB 1.864 43.916 42.059 -0.013 0.000 1.264 58 L HN 0.559 nan 8.230 nan 0.000 0.439 59 N N 0.682 119.197 118.700 -0.308 0.000 2.745 59 N HA 0.306 5.046 4.740 0.001 0.000 0.256 59 N C -1.703 173.575 175.510 -0.387 0.000 1.268 59 N CA -0.773 51.939 53.050 -0.564 0.000 0.887 59 N CB 2.187 39.783 38.487 -1.485 0.000 1.575 59 N HN 0.538 nan 8.380 nan 0.000 0.496 60 R N 2.385 122.701 120.500 -0.306 0.000 2.310 60 R HA 0.639 4.980 4.340 0.001 0.000 0.324 60 R C -1.436 174.762 176.300 -0.170 0.000 0.955 60 R CA -0.539 55.442 56.100 -0.199 0.000 0.830 60 R CB 0.761 30.978 30.300 -0.139 0.000 1.154 60 R HN 0.328 nan 8.270 nan 0.000 0.458 61 V N 5.171 125.035 119.914 -0.083 0.000 2.378 61 V HA 0.181 4.301 4.120 0.001 0.000 0.288 61 V C -0.286 175.825 176.094 0.027 0.000 1.016 61 V CA -0.625 61.670 62.300 -0.008 0.000 0.840 61 V CB 1.563 33.442 31.823 0.094 0.000 0.994 61 V HN 0.944 nan 8.190 nan 0.000 0.431 62 D N 4.456 124.862 120.400 0.010 0.000 2.708 62 D HA -0.201 4.439 4.640 0.001 0.000 0.236 62 D C 1.350 177.647 176.300 -0.005 0.000 1.146 62 D CA 1.633 55.642 54.000 0.014 0.000 0.662 62 D CB -1.004 39.820 40.800 0.040 0.000 1.059 62 D HN 1.391 nan 8.370 nan 0.000 0.428 63 G N -2.216 106.566 108.800 -0.030 0.000 2.205 63 G HA2 -0.341 3.619 3.960 0.001 0.000 0.261 63 G HA3 -0.341 3.619 3.960 0.001 0.000 0.261 63 G C 0.404 175.261 174.900 -0.072 0.000 0.980 63 G CA 0.372 45.446 45.100 -0.045 0.000 0.632 63 G HN 0.632 nan 8.290 nan 0.000 0.533 64 V N 1.583 121.441 119.914 -0.093 0.000 2.394 64 V HA 0.569 4.689 4.120 0.001 0.000 0.282 64 V C 0.835 176.725 176.094 -0.340 0.000 1.031 64 V CA -0.835 61.350 62.300 -0.193 0.000 0.881 64 V CB 1.795 33.501 31.823 -0.194 0.000 0.982 64 V HN 0.252 nan 8.190 nan 0.000 0.451 65 V N 5.675 125.414 119.914 -0.292 0.000 2.555 65 V HA 0.301 4.421 4.120 0.001 0.000 0.286 65 V C 0.069 175.959 176.094 -0.341 0.000 1.044 65 V CA -0.197 61.955 62.300 -0.247 0.000 1.026 65 V CB 0.319 32.076 31.823 -0.109 0.000 0.981 65 V HN 0.793 nan 8.190 nan 0.000 0.480 66 H N 2.555 121.642 119.070 0.028 0.000 2.679 66 H HA 0.811 5.367 4.556 0.001 0.000 0.367 66 H C -0.248 175.199 175.328 0.199 0.000 1.162 66 H CA -0.537 55.600 56.048 0.148 0.000 1.181 66 H CB 2.299 32.198 29.762 0.229 0.000 1.693 66 H HN 0.721 nan 8.280 nan 0.000 0.538 67 A N 3.030 126.094 122.820 0.407 0.000 2.381 67 A HA 0.603 4.924 4.320 0.001 0.000 0.299 67 A C -0.453 177.384 177.584 0.422 0.000 1.049 67 A CA -0.643 51.604 52.037 0.350 0.000 0.715 67 A CB 0.741 19.890 19.000 0.247 0.000 1.222 67 A HN 0.645 nan 8.150 nan 0.000 0.428 68 I N -0.608 120.186 120.570 0.373 0.000 2.934 68 I HA 0.892 5.062 4.170 0.001 0.000 0.306 68 I C 0.305 176.572 176.117 0.250 0.000 1.110 68 I CA -1.301 60.171 61.300 0.288 0.000 1.019 68 I CB 2.129 40.190 38.000 0.101 0.000 1.227 68 I HN 0.691 nan 8.210 nan 0.000 0.434 69 A N 2.011 124.971 122.820 0.233 0.000 2.511 69 A HA 0.061 4.382 4.320 0.001 0.000 0.242 69 A C 0.131 177.743 177.584 0.047 0.000 1.069 69 A CA 0.144 52.294 52.037 0.188 0.000 0.763 69 A CB -0.120 18.949 19.000 0.114 0.000 1.001 69 A HN 0.787 nan 8.150 nan 0.000 0.498 70 D N 1.021 121.449 120.400 0.046 0.000 3.057 70 D HA 0.230 4.870 4.640 0.001 0.000 0.246 70 D C 0.178 176.486 176.300 0.013 0.000 1.238 70 D CA 0.223 54.240 54.000 0.029 0.000 0.949 70 D CB -0.646 40.182 40.800 0.045 0.000 1.086 70 D HN 0.536 nan 8.370 nan 0.000 0.487 71 R N 0.583 121.061 120.500 -0.037 0.000 2.522 71 R HA 0.292 4.632 4.340 0.001 0.000 0.273 71 R C -1.434 174.797 176.300 -0.115 0.000 1.133 71 R CA -0.714 55.359 56.100 -0.045 0.000 0.969 71 R CB 0.737 31.023 30.300 -0.023 0.000 1.235 71 R HN 0.159 nan 8.270 nan 0.000 0.433 72 C N 5.413 124.648 119.300 -0.108 0.000 2.644 72 C HA 0.247 4.708 4.460 0.001 0.000 0.417 72 C C 1.828 176.755 174.990 -0.105 0.000 1.304 72 C CA -0.431 58.523 59.018 -0.107 0.000 2.035 72 C CB -0.386 27.285 27.740 -0.115 0.000 2.673 72 C HN 0.966 nan 8.230 nan 0.000 0.602 73 L N 4.027 125.240 121.223 -0.017 0.000 2.376 73 L HA -0.053 4.288 4.340 0.001 0.000 0.219 73 L C 2.387 179.108 176.870 -0.248 0.000 1.133 73 L CA 0.989 55.805 54.840 -0.039 0.000 0.816 73 L CB -0.844 41.313 42.059 0.164 0.000 0.933 73 L HN 0.865 nan 8.230 nan 0.000 0.449 74 H N 0.753 119.368 119.070 -0.759 0.000 2.300 74 H HA -0.026 4.531 4.556 0.001 0.000 0.302 74 H C 1.237 176.236 175.328 -0.549 0.000 1.049 74 H CA 0.916 56.308 56.048 -1.093 0.000 1.254 74 H CB 0.475 29.157 29.762 -1.799 0.000 1.396 74 H HN 0.054 nan 8.280 nan 0.000 0.518 75 R N -0.211 119.920 120.500 -0.615 0.000 2.509 75 R HA 0.153 4.493 4.340 0.001 0.000 0.300 75 R C 0.814 176.982 176.300 -0.220 0.000 0.985 75 R CA 0.487 56.311 56.100 -0.460 0.000 1.092 75 R CB 0.625 30.640 30.300 -0.476 0.000 1.237 75 R HN 0.719 nan 8.270 nan 0.000 0.546 76 G N 1.397 110.083 108.800 -0.190 0.000 2.168 76 G HA2 -0.313 3.647 3.960 0.001 0.000 0.257 76 G HA3 -0.313 3.647 3.960 0.001 0.000 0.257 76 G C 0.473 175.338 174.900 -0.059 0.000 0.997 76 G CA 0.579 45.617 45.100 -0.104 0.000 0.708 76 G HN 0.295 nan 8.290 nan 0.000 0.520 77 V N -2.311 117.556 119.914 -0.079 0.000 3.185 77 V HA 0.715 4.836 4.120 0.001 0.000 0.305 77 V C 0.836 176.968 176.094 0.064 0.000 1.090 77 V CA 0.249 62.551 62.300 0.003 0.000 1.107 77 V CB 1.073 32.817 31.823 -0.131 0.000 1.061 77 V HN 0.346 nan 8.190 nan 0.000 0.480 78 T N 4.307 118.982 114.554 0.202 0.000 2.737 78 T HA 0.391 4.742 4.350 0.001 0.000 0.296 78 T C 1.234 176.149 174.700 0.358 0.000 0.922 78 T CA -0.107 62.110 62.100 0.195 0.000 1.079 78 T CB 0.712 69.673 68.868 0.155 0.000 0.892 78 T HN 0.622 nan 8.240 nan 0.000 0.514 79 L N 2.845 124.209 121.223 0.235 0.000 2.043 79 L HA -0.156 4.185 4.340 0.001 0.000 0.212 79 L C 2.791 179.878 176.870 0.361 0.000 1.075 79 L CA 1.477 56.499 54.840 0.303 0.000 0.752 79 L CB -0.681 41.447 42.059 0.116 0.000 0.891 79 L HN 0.708 nan 8.230 nan 0.000 0.432 80 S N -1.587 114.244 115.700 0.218 0.000 2.547 80 S HA -0.138 4.333 4.470 0.001 0.000 0.235 80 S C 1.314 175.953 174.600 0.065 0.000 0.980 80 S CA 0.867 59.153 58.200 0.144 0.000 0.941 80 S CB -0.420 62.841 63.200 0.103 0.000 0.763 80 S HN 0.358 nan 8.310 nan 0.000 0.532 81 D N 1.756 122.194 120.400 0.063 0.000 2.264 81 D HA 0.070 4.711 4.640 0.001 0.000 0.208 81 D C 0.765 176.832 176.300 -0.388 0.000 0.966 81 D CA 1.112 55.014 54.000 -0.163 0.000 0.864 81 D CB 0.036 40.709 40.800 -0.212 0.000 0.933 81 D HN 0.546 nan 8.370 nan 0.000 0.499 82 K N 0.357 120.526 120.400 -0.384 0.000 2.865 82 K HA 0.165 4.485 4.320 0.001 0.000 0.259 82 K C -1.438 175.174 176.600 0.021 0.000 1.236 82 K CA -0.227 55.860 56.287 -0.334 0.000 1.024 82 K CB 0.956 33.038 32.500 -0.697 0.000 1.344 82 K HN -0.288 nan 8.250 nan 0.000 0.558 83 V N 3.076 123.029 119.914 0.065 0.000 2.529 83 V HA 0.081 4.202 4.120 0.001 0.000 0.292 83 V C 0.029 176.179 176.094 0.092 0.000 1.028 83 V CA 0.484 62.867 62.300 0.137 0.000 1.074 83 V CB 0.787 32.685 31.823 0.125 0.000 0.958 83 V HN 0.625 nan 8.190 nan 0.000 0.481 84 E N 3.584 123.840 120.200 0.094 0.000 2.265 84 E HA 0.439 4.789 4.350 0.001 0.000 0.262 84 E C -1.538 174.917 176.600 -0.243 0.000 0.889 84 E CA -0.489 55.854 56.400 -0.095 0.000 0.789 84 E CB 1.800 31.534 29.700 0.056 0.000 1.221 84 E HN 0.670 nan 8.360 nan 0.000 0.414 85 C N 2.927 121.993 119.300 -0.389 0.000 2.340 85 C HA 0.365 4.825 4.460 0.001 0.000 0.323 85 C C -0.063 174.654 174.990 -0.455 0.000 1.260 85 C CA -0.571 58.306 59.018 -0.236 0.000 1.464 85 C CB -0.410 27.367 27.740 0.063 0.000 2.156 85 C HN 0.845 nan 8.230 nan 0.000 0.476 86 Y N 1.340 121.716 120.300 0.127 0.000 2.531 86 Y HA 0.295 4.846 4.550 0.000 0.000 0.249 86 Y C 1.255 177.206 175.900 0.086 0.000 1.168 86 Y CA -0.074 58.083 58.100 0.095 0.000 1.226 86 Y CB 0.213 38.719 38.460 0.077 0.000 1.177 86 Y HN 0.698 nan 8.280 nan 0.000 0.527 87 S N -1.264 114.545 115.700 0.182 0.000 2.535 87 S HA 0.247 4.717 4.470 0.001 0.000 0.272 87 S C 0.435 175.127 174.600 0.153 0.000 1.149 87 S CA -0.991 57.298 58.200 0.150 0.000 0.888 87 S CB 1.951 65.232 63.200 0.134 0.000 1.110 87 S HN 0.171 nan 8.310 nan 0.000 0.463 88 K N 1.668 122.146 120.400 0.129 0.000 2.089 88 K HA -0.153 4.167 4.320 0.001 0.000 0.210 88 K C 1.650 178.369 176.600 0.199 0.000 1.048 88 K CA 1.965 58.331 56.287 0.132 0.000 0.926 88 K CB -0.664 31.893 32.500 0.095 0.000 0.714 88 K HN 0.824 nan 8.250 nan 0.000 0.448 89 A N 0.635 123.574 122.820 0.198 0.000 2.251 89 A HA 0.071 4.391 4.320 0.001 0.000 0.209 89 A C 0.624 178.399 177.584 0.319 0.000 1.187 89 A CA 0.657 52.845 52.037 0.252 0.000 0.823 89 A CB -0.155 18.930 19.000 0.143 0.000 0.846 89 A HN 0.582 nan 8.150 nan 0.000 0.486 90 T N -3.277 111.442 114.554 0.275 0.000 2.838 90 T HA 0.681 5.032 4.350 0.001 0.000 0.292 90 T C -0.695 174.048 174.700 0.071 0.000 1.113 90 T CA -0.723 61.421 62.100 0.074 0.000 1.008 90 T CB 1.464 70.362 68.868 0.049 0.000 1.259 90 T HN 0.372 nan 8.240 nan 0.000 0.520 91 I N 0.531 121.006 120.570 -0.159 0.000 2.582 91 I HA 0.640 4.810 4.170 0.001 0.000 0.292 91 I C -1.184 174.974 176.117 0.069 0.000 1.066 91 I CA -0.625 60.642 61.300 -0.055 0.000 1.053 91 I CB 2.174 39.984 38.000 -0.317 0.000 1.241 91 I HN 0.794 nan 8.210 nan 0.000 0.421 92 S N 6.182 121.972 115.700 0.151 0.000 2.473 92 S HA 0.287 4.758 4.470 0.001 0.000 0.307 92 S C -0.599 174.154 174.600 0.256 0.000 1.094 92 S CA -0.481 57.859 58.200 0.234 0.000 1.070 92 S CB 1.292 64.712 63.200 0.367 0.000 1.019 92 S HN 0.759 nan 8.310 nan 0.000 0.480 93 C N 6.153 125.601 119.300 0.247 0.000 2.611 93 C HA 0.109 4.570 4.460 0.001 0.000 0.416 93 C C 1.964 177.033 174.990 0.131 0.000 1.366 93 C CA -0.450 58.642 59.018 0.123 0.000 1.761 93 C CB -0.774 26.996 27.740 0.051 0.000 2.619 93 C HN 1.036 nan 8.230 nan 0.000 0.606 94 W N 4.932 126.335 121.300 0.172 0.000 2.825 94 W HA -0.035 4.625 4.660 0.001 0.000 0.243 94 W C 1.257 177.861 176.519 0.142 0.000 1.293 94 W CA 0.204 57.634 57.345 0.142 0.000 1.403 94 W CB -1.133 28.373 29.460 0.076 0.000 1.134 94 W HN 0.836 nan 8.180 nan 0.000 0.666 95 Y N 1.899 121.958 120.300 -0.401 0.000 2.222 95 Y HA 0.013 4.564 4.550 0.001 0.000 0.290 95 Y C 1.305 176.898 175.900 -0.511 0.000 1.123 95 Y CA 1.349 59.136 58.100 -0.521 0.000 1.120 95 Y CB -0.765 37.161 38.460 -0.891 0.000 1.060 95 Y HN -0.029 nan 8.280 nan 0.000 0.508 96 H N -1.330 117.770 119.070 0.050 0.000 2.662 96 H HA 0.388 4.944 4.556 0.001 0.000 0.268 96 H C 1.281 176.702 175.328 0.154 0.000 1.152 96 H CA 0.213 56.290 56.048 0.048 0.000 1.072 96 H CB 0.414 30.150 29.762 -0.043 0.000 1.660 96 H HN 0.377 nan 8.280 nan 0.000 0.584 97 G N 0.335 109.276 108.800 0.236 0.000 2.168 97 G HA2 -0.308 3.653 3.960 0.001 0.000 0.257 97 G HA3 -0.308 3.653 3.960 0.001 0.000 0.257 97 G C -0.351 174.691 174.900 0.237 0.000 0.997 97 G CA -0.162 45.072 45.100 0.223 0.000 0.708 97 G HN 0.269 nan 8.290 nan 0.000 0.520 98 W N 0.928 122.188 121.300 -0.067 0.000 2.322 98 W HA 0.495 5.156 4.660 0.002 0.000 0.328 98 W C 0.807 177.118 176.519 -0.347 0.000 1.395 98 W CA 0.395 57.587 57.345 -0.255 0.000 1.267 98 W CB 0.332 29.638 29.460 -0.257 0.000 1.259 98 W HN 0.059 nan 8.180 nan 0.000 0.560 99 T N 5.080 119.454 114.554 -0.299 0.000 2.779 99 T HA 0.471 4.822 4.350 0.001 0.000 0.280 99 T C -1.111 173.351 174.700 -0.397 0.000 0.987 99 T CA -0.400 61.567 62.100 -0.222 0.000 0.966 99 T CB 0.512 69.339 68.868 -0.069 0.000 0.933 99 T HN 0.030 nan 8.240 nan 0.000 0.442 100 Y N 0.863 121.122 120.300 -0.068 0.000 2.485 100 Y HA 0.561 5.112 4.550 0.001 0.000 0.345 100 Y C 0.747 176.520 175.900 -0.212 0.000 0.998 100 Y CA -1.453 56.575 58.100 -0.120 0.000 1.059 100 Y CB 1.291 39.670 38.460 -0.135 0.000 1.234 100 Y HN 0.335 nan 8.280 nan 0.000 0.461 101 R N 0.895 121.403 120.500 0.013 0.000 2.441 101 R HA 0.067 4.407 4.340 0.001 0.000 0.284 101 R C -0.109 176.144 176.300 -0.079 0.000 1.070 101 R CA -0.227 55.854 56.100 -0.032 0.000 1.047 101 R CB 0.701 31.009 30.300 0.012 0.000 1.016 101 R HN 0.898 nan 8.270 nan 0.000 0.477 102 W N 1.326 122.610 121.300 -0.026 0.000 2.388 102 W HA -0.175 4.486 4.660 0.000 0.000 0.294 102 W C 1.932 178.290 176.519 -0.268 0.000 1.212 102 W CA 1.232 58.528 57.345 -0.082 0.000 1.271 102 W CB -0.079 29.340 29.460 -0.068 0.000 1.126 102 W HN 0.712 nan 8.180 nan 0.000 0.535 103 D N 0.039 120.299 120.400 -0.233 0.000 2.178 103 D HA -0.181 4.460 4.640 0.001 0.000 0.202 103 D C 1.127 177.417 176.300 -0.016 0.000 0.974 103 D CA 1.783 55.584 54.000 -0.332 0.000 0.841 103 D CB -1.031 39.612 40.800 -0.261 0.000 0.953 103 D HN 0.324 nan 8.370 nan 0.000 0.478 104 N N -2.020 116.688 118.700 0.013 0.000 2.143 104 N HA 0.167 4.907 4.740 0.001 0.000 0.229 104 N C 1.478 177.021 175.510 0.054 0.000 1.294 104 N CA 0.289 53.366 53.050 0.045 0.000 0.883 104 N CB 0.272 38.780 38.487 0.036 0.000 1.148 104 N HN 0.246 nan 8.380 nan 0.000 0.511 105 G N 0.606 109.437 108.800 0.052 0.000 2.186 105 G HA2 -0.388 3.572 3.960 0.001 0.000 0.266 105 G HA3 -0.388 3.572 3.960 0.001 0.000 0.266 105 G C -0.229 174.762 174.900 0.152 0.000 0.982 105 G CA 0.689 45.827 45.100 0.063 0.000 0.670 105 G HN 0.497 nan 8.290 nan 0.000 0.533 106 K N -0.391 120.076 120.400 0.112 0.000 2.382 106 K HA 0.354 4.675 4.320 0.001 0.000 0.275 106 K C 0.349 177.012 176.600 0.106 0.000 1.009 106 K CA -0.660 55.692 56.287 0.108 0.000 0.970 106 K CB 1.009 33.532 32.500 0.038 0.000 0.934 106 K HN 0.160 nan 8.250 nan 0.000 0.479 107 L N 5.327 126.587 121.223 0.061 0.000 2.401 107 L HA 0.011 4.351 4.340 0.001 0.000 0.283 107 L C 0.625 177.385 176.870 -0.184 0.000 1.151 107 L CA 0.193 54.927 54.840 -0.178 0.000 0.942 107 L CB 0.497 42.448 42.059 -0.181 0.000 1.283 107 L HN 0.581 nan 8.230 nan 0.000 0.442 108 V N 0.118 119.932 119.914 -0.167 0.000 3.506 108 V HA 0.385 4.505 4.120 0.001 0.000 0.263 108 V C 0.319 176.319 176.094 -0.155 0.000 1.203 108 V CA 0.428 62.651 62.300 -0.128 0.000 1.133 108 V CB -0.405 31.375 31.823 -0.071 0.000 0.802 108 V HN 0.709 nan 8.190 nan 0.000 0.459 109 D N -0.490 119.782 120.400 -0.213 0.000 2.623 109 D HA 0.531 5.171 4.640 0.001 0.000 0.241 109 D C -1.336 174.796 176.300 -0.279 0.000 1.241 109 D CA -0.378 53.500 54.000 -0.203 0.000 0.788 109 D CB 2.819 43.549 40.800 -0.117 0.000 1.413 109 D HN 0.117 nan 8.370 nan 0.000 0.429 110 I N 2.583 122.997 120.570 -0.260 0.000 2.542 110 I HA 0.045 4.215 4.170 0.001 0.000 0.278 110 I C 0.959 176.999 176.117 -0.128 0.000 1.069 110 I CA -0.529 60.610 61.300 -0.269 0.000 1.100 110 I CB 1.765 39.482 38.000 -0.471 0.000 1.204 110 I HN 0.170 nan 8.210 nan 0.000 0.470 111 L N 3.852 125.043 121.223 -0.055 0.000 2.089 111 L HA -0.200 4.140 4.340 0.001 0.000 0.213 111 L C 2.663 179.518 176.870 -0.024 0.000 1.079 111 L CA 2.409 57.228 54.840 -0.034 0.000 0.758 111 L CB -1.264 40.785 42.059 -0.015 0.000 0.891 111 L HN 0.738 nan 8.230 nan 0.000 0.433 112 T N -4.236 110.324 114.554 0.010 0.000 3.148 112 T HA 0.041 4.392 4.350 0.001 0.000 0.253 112 T C 0.784 175.479 174.700 -0.008 0.000 1.134 112 T CA 0.442 62.557 62.100 0.024 0.000 1.051 112 T CB -0.259 68.662 68.868 0.089 0.000 0.959 112 T HN 0.240 nan 8.240 nan 0.000 0.525 113 N N 1.048 119.718 118.700 -0.050 0.000 3.153 113 N HA 0.213 4.954 4.740 0.001 0.000 0.208 113 N C -2.678 172.765 175.510 -0.111 0.000 1.462 113 N CA -1.489 51.517 53.050 -0.072 0.000 0.754 113 N CB 1.411 39.853 38.487 -0.074 0.000 1.558 113 N HN -0.092 nan 8.380 nan 0.000 0.605 114 P HA -0.048 nan 4.420 nan 0.000 0.231 114 P C 0.751 177.990 177.300 -0.103 0.000 1.158 114 P CA 0.994 64.032 63.100 -0.102 0.000 0.763 114 P CB 0.085 31.740 31.700 -0.075 0.000 0.805 115 T N -5.131 109.368 114.554 -0.093 0.000 3.086 115 T HA 0.105 4.455 4.350 0.001 0.000 0.250 115 T C 0.929 175.568 174.700 -0.101 0.000 1.074 115 T CA -0.234 61.815 62.100 -0.085 0.000 0.988 115 T CB -0.658 68.173 68.868 -0.062 0.000 0.988 115 T HN -0.032 nan 8.240 nan 0.000 0.530 116 S N 1.760 117.380 115.700 -0.134 0.000 2.546 116 S HA 0.110 4.580 4.470 0.001 0.000 0.290 116 S C 1.616 176.123 174.600 -0.156 0.000 1.290 116 S CA -0.114 57.993 58.200 -0.156 0.000 1.069 116 S CB 0.581 63.638 63.200 -0.239 0.000 0.846 116 S HN 0.524 nan 8.310 nan 0.000 0.495 117 V N 3.683 123.527 119.914 -0.117 0.000 3.141 117 V HA -0.027 4.093 4.120 0.001 0.000 0.265 117 V C 1.940 177.963 176.094 -0.119 0.000 1.126 117 V CA 0.885 63.124 62.300 -0.101 0.000 1.141 117 V CB -0.750 31.034 31.823 -0.065 0.000 0.743 117 V HN 0.790 nan 8.190 nan 0.000 0.492 118 Q N 0.828 120.535 119.800 -0.154 0.000 2.297 118 Q HA 0.246 4.587 4.340 0.001 0.000 0.204 118 Q C 1.065 176.933 176.000 -0.221 0.000 0.962 118 Q CA 0.438 56.157 55.803 -0.140 0.000 0.879 118 Q CB -0.172 28.416 28.738 -0.250 0.000 0.947 118 Q HN 0.643 nan 8.270 nan 0.000 0.462 119 I N 1.042 121.436 120.570 -0.293 0.000 2.826 119 I HA -0.107 4.064 4.170 0.001 0.000 0.295 119 I C 1.342 177.343 176.117 -0.193 0.000 1.213 119 I CA 1.162 62.294 61.300 -0.281 0.000 1.436 119 I CB 0.129 37.980 38.000 -0.249 0.000 1.348 119 I HN 0.412 nan 8.210 nan 0.000 0.570 120 G N 5.210 113.908 108.800 -0.170 0.000 2.184 120 G HA2 -0.321 3.639 3.960 0.001 0.000 0.264 120 G HA3 -0.321 3.639 3.960 0.001 0.000 0.264 120 G C 1.035 175.844 174.900 -0.151 0.000 0.975 120 G CA 0.199 45.221 45.100 -0.129 0.000 0.642 120 G HN 0.706 nan 8.290 nan 0.000 0.536 121 R N -0.188 120.175 120.500 -0.229 0.000 2.362 121 R HA 0.235 4.575 4.340 0.001 0.000 0.227 121 R C 0.420 176.332 176.300 -0.648 0.000 0.905 121 R CA 0.248 56.092 56.100 -0.426 0.000 1.067 121 R CB 0.297 30.270 30.300 -0.545 0.000 1.078 121 R HN 0.604 nan 8.270 nan 0.000 0.516 122 H N -1.123 117.941 119.070 -0.010 0.000 2.977 122 H HA 0.683 5.240 4.556 0.001 0.000 0.350 122 H C -1.120 174.264 175.328 0.093 0.000 1.238 122 H CA -1.027 55.058 56.048 0.061 0.000 1.124 122 H CB 2.200 32.042 29.762 0.133 0.000 1.866 122 H HN 0.022 nan 8.280 nan 0.000 0.550 123 A N 1.428 124.407 122.820 0.265 0.000 2.540 123 A HA 0.404 4.725 4.320 0.001 0.000 0.297 123 A C -1.480 176.199 177.584 0.157 0.000 1.056 123 A CA -0.622 51.540 52.037 0.209 0.000 0.700 123 A CB 1.487 20.555 19.000 0.113 0.000 1.280 123 A HN 0.288 nan 8.150 nan 0.000 0.398 124 L N 1.588 122.872 121.223 0.101 0.000 2.467 124 L HA 0.284 4.625 4.340 0.001 0.000 0.270 124 L C 1.033 177.902 176.870 -0.002 0.000 1.205 124 L CA 0.415 55.233 54.840 -0.036 0.000 0.828 124 L CB 0.433 42.359 42.059 -0.221 0.000 1.101 124 L HN 0.804 nan 8.230 nan 0.000 0.479 125 K N 1.044 121.433 120.400 -0.018 0.000 2.326 125 K HA 0.262 4.582 4.320 0.001 0.000 0.275 125 K C -0.460 176.116 176.600 -0.042 0.000 1.018 125 K CA -0.257 55.992 56.287 -0.063 0.000 0.962 125 K CB 0.531 32.952 32.500 -0.132 0.000 0.953 125 K HN 0.813 nan 8.250 nan 0.000 0.475 126 T N 0.554 115.068 114.554 -0.067 0.000 2.912 126 T HA 0.388 4.739 4.350 0.001 0.000 0.288 126 T C -0.980 173.690 174.700 -0.050 0.000 1.030 126 T CA -0.750 61.387 62.100 0.062 0.000 1.020 126 T CB 0.680 69.613 68.868 0.108 0.000 1.056 126 T HN 0.408 nan 8.240 nan 0.000 0.480 127 Y N 0.965 121.342 120.300 0.127 0.000 2.341 127 Y HA 0.490 5.040 4.550 0.001 0.000 0.338 127 Y C -2.390 173.610 175.900 0.167 0.000 0.965 127 Y CA -2.586 55.591 58.100 0.129 0.000 1.108 127 Y CB 1.422 39.955 38.460 0.121 0.000 1.180 127 Y HN 0.509 nan 8.280 nan 0.000 0.458 128 P HA 0.071 nan 4.420 nan 0.000 0.266 128 P C -0.948 176.629 177.300 0.461 0.000 1.195 128 P CA 0.130 63.397 63.100 0.277 0.000 0.768 128 P CB 0.680 32.442 31.700 0.103 0.000 0.838 129 V N 4.931 125.117 119.914 0.455 0.000 2.823 129 V HA 0.599 4.719 4.120 0.001 0.000 0.312 129 V C -0.024 176.247 176.094 0.295 0.000 1.072 129 V CA -0.627 61.932 62.300 0.431 0.000 0.937 129 V CB 2.296 34.257 31.823 0.231 0.000 1.013 129 V HN 0.428 nan 8.190 nan 0.000 0.430 130 R N 2.258 122.874 120.500 0.194 0.000 2.574 130 R HA 0.499 4.840 4.340 0.001 0.000 0.288 130 R C -1.034 175.305 176.300 0.066 0.000 1.004 130 R CA -0.600 55.459 56.100 -0.069 0.000 0.895 130 R CB 2.348 32.319 30.300 -0.548 0.000 1.191 130 R HN 0.901 nan 8.270 nan 0.000 0.444 131 E N 2.501 122.710 120.200 0.015 0.000 2.186 131 E HA 0.239 4.590 4.350 0.001 0.000 0.255 131 E C -0.967 175.646 176.600 0.020 0.000 0.881 131 E CA -0.297 56.136 56.400 0.055 0.000 0.752 131 E CB 0.940 30.642 29.700 0.003 0.000 1.176 131 E HN 0.297 nan 8.360 nan 0.000 0.421 132 E N 3.019 123.278 120.200 0.099 0.000 2.367 132 E HA 0.242 4.592 4.350 0.001 0.000 0.273 132 E C -0.614 176.026 176.600 0.067 0.000 0.903 132 E CA -0.971 55.442 56.400 0.021 0.000 0.764 132 E CB 1.576 31.235 29.700 -0.068 0.000 1.252 132 E HN 0.362 nan 8.360 nan 0.000 0.446 133 K N 0.427 120.777 120.400 -0.082 0.000 3.071 133 K HA -0.236 4.084 4.320 0.001 0.000 0.262 133 K C 0.699 177.251 176.600 -0.079 0.000 0.977 133 K CA 1.070 57.261 56.287 -0.159 0.000 0.721 133 K CB -2.051 30.222 32.500 -0.378 0.000 1.293 133 K HN 1.086 nan 8.250 nan 0.000 0.475 134 G N -0.845 107.915 108.800 -0.066 0.000 2.153 134 G HA2 -0.314 3.647 3.960 0.001 0.000 0.252 134 G HA3 -0.314 3.647 3.960 0.001 0.000 0.252 134 G C 0.041 174.909 174.900 -0.053 0.000 0.994 134 G CA 0.603 45.665 45.100 -0.063 0.000 0.698 134 G HN 0.313 nan 8.290 nan 0.000 0.521 135 L N -0.608 120.595 121.223 -0.033 0.000 2.370 135 L HA 0.749 5.090 4.340 0.001 0.000 0.266 135 L C 0.020 176.822 176.870 -0.114 0.000 1.002 135 L CA -1.325 53.419 54.840 -0.160 0.000 0.818 135 L CB 2.391 44.218 42.059 -0.387 0.000 1.325 135 L HN 0.030 nan 8.230 nan 0.000 0.418 136 V N 2.812 122.606 119.914 -0.201 0.000 2.350 136 V HA 0.474 4.595 4.120 0.001 0.000 0.276 136 V C -0.856 175.158 176.094 -0.133 0.000 1.028 136 V CA -0.095 62.163 62.300 -0.070 0.000 0.860 136 V CB 0.738 32.529 31.823 -0.054 0.000 0.990 136 V HN 0.440 nan 8.190 nan 0.000 0.453 137 F N 6.367 126.332 119.950 0.025 0.000 2.422 137 F HA 0.658 5.186 4.527 0.001 0.000 0.333 137 F C 0.186 176.213 175.800 0.379 0.000 1.095 137 F CA -0.630 57.462 58.000 0.153 0.000 1.038 137 F CB 1.680 40.750 39.000 0.118 0.000 1.156 137 F HN 0.269 nan 8.300 nan 0.000 0.483 138 L N 2.940 124.524 121.223 0.602 0.000 2.362 138 L HA 0.430 4.771 4.340 0.001 0.000 0.271 138 L C -1.166 175.951 176.870 0.412 0.000 1.002 138 L CA -0.890 54.244 54.840 0.490 0.000 0.818 138 L CB 2.144 44.330 42.059 0.212 0.000 1.298 138 L HN 0.468 nan 8.230 nan 0.000 0.420 139 F N 3.108 122.980 119.950 -0.129 0.000 2.391 139 F HA 0.456 4.984 4.527 0.001 0.000 0.359 139 F C -0.322 175.421 175.800 -0.095 0.000 1.122 139 F CA -0.501 57.128 58.000 -0.618 0.000 1.120 139 F CB 1.167 39.339 39.000 -1.380 0.000 1.142 139 F HN 0.012 nan 8.300 nan 0.000 0.483 140 V N 6.799 126.432 119.914 -0.467 0.000 2.294 140 V HA 0.819 4.940 4.120 0.001 0.000 0.272 140 V C 0.258 176.080 176.094 -0.452 0.000 1.027 140 V CA 0.123 62.318 62.300 -0.174 0.000 0.823 140 V CB 0.233 32.075 31.823 0.032 0.000 1.030 140 V HN 1.042 nan 8.190 nan 0.000 0.457 141 G N 3.195 111.818 108.800 -0.296 0.000 2.340 141 G HA2 0.332 4.292 3.960 0.001 0.000 0.299 141 G HA3 0.332 4.292 3.960 0.001 0.000 0.299 141 G C -0.667 174.242 174.900 0.015 0.000 1.291 141 G CA -0.297 44.699 45.100 -0.174 0.000 0.841 141 G HN 0.354 nan 8.290 nan 0.000 0.500 142 D N -0.241 120.197 120.400 0.064 0.000 2.449 142 D HA 0.075 4.715 4.640 0.001 0.000 0.210 142 D C 0.952 177.300 176.300 0.080 0.000 1.094 142 D CA 0.360 54.391 54.000 0.053 0.000 0.846 142 D CB 1.000 41.816 40.800 0.026 0.000 1.003 142 D HN 0.614 nan 8.370 nan 0.000 0.504 143 Q N 0.992 120.881 119.800 0.148 0.000 2.195 143 Q HA 0.402 4.742 4.340 0.001 0.000 0.250 143 Q C -0.160 175.852 176.000 0.019 0.000 0.988 143 Q CA -0.787 55.073 55.803 0.095 0.000 0.911 143 Q CB 1.441 30.244 28.738 0.107 0.000 1.258 143 Q HN -0.310 nan 8.270 nan 0.000 0.475 144 E N 1.471 121.637 120.200 -0.057 0.000 2.415 144 E HA 0.124 4.474 4.350 0.001 0.000 0.263 144 E C -2.261 174.124 176.600 -0.359 0.000 0.995 144 E CA -1.322 54.979 56.400 -0.165 0.000 0.915 144 E CB 0.272 29.922 29.700 -0.082 0.000 0.951 144 E HN 0.334 nan 8.360 nan 0.000 0.449 145 P HA 0.057 nan 4.420 nan 0.000 0.268 145 P C -0.745 176.311 177.300 -0.407 0.000 1.205 145 P CA 0.205 62.606 63.100 -1.166 0.000 0.771 145 P CB 0.355 31.390 31.700 -1.109 0.000 0.858 146 H N 0.021 119.039 119.070 -0.087 0.000 2.497 146 H HA 0.359 4.915 4.556 0.001 0.000 0.348 146 H C -0.330 175.124 175.328 0.210 0.000 1.335 146 H CA -0.753 55.342 56.048 0.078 0.000 1.395 146 H CB 0.242 30.071 29.762 0.112 0.000 1.658 146 H HN 0.306 nan 8.280 nan 0.000 0.613 147 D N 0.563 121.113 120.400 0.250 0.000 2.423 147 D HA -0.060 4.581 4.640 0.001 0.000 0.238 147 D C 1.475 177.816 176.300 0.068 0.000 1.142 147 D CA -0.258 53.797 54.000 0.091 0.000 0.884 147 D CB 1.610 42.430 40.800 0.034 0.000 1.199 147 D HN 0.390 nan 8.370 nan 0.000 0.438 148 L N 2.983 124.012 121.223 -0.324 0.000 2.131 148 L HA -0.160 4.181 4.340 0.001 0.000 0.210 148 L C 2.057 178.784 176.870 -0.239 0.000 1.092 148 L CA 1.868 56.330 54.840 -0.631 0.000 0.759 148 L CB -0.703 40.755 42.059 -1.001 0.000 0.903 148 L HN 0.501 nan 8.230 nan 0.000 0.435 149 A N -0.775 121.951 122.820 -0.157 0.000 2.032 149 A HA -0.252 4.068 4.320 0.001 0.000 0.221 149 A C 2.155 179.727 177.584 -0.020 0.000 1.165 149 A CA 1.964 53.947 52.037 -0.091 0.000 0.645 149 A CB -0.623 18.330 19.000 -0.078 0.000 0.807 149 A HN 0.669 nan 8.150 nan 0.000 0.453 150 E N -0.574 119.678 120.200 0.086 0.000 2.274 150 E HA -0.109 4.242 4.350 0.001 0.000 0.194 150 E C 0.250 176.960 176.600 0.182 0.000 0.996 150 E CA 0.849 57.325 56.400 0.126 0.000 0.840 150 E CB -0.027 29.770 29.700 0.161 0.000 0.772 150 E HN 0.520 nan 8.360 nan 0.000 0.491 151 D N 0.420 120.968 120.400 0.247 0.000 2.424 151 D HA 0.044 4.684 4.640 0.001 0.000 0.220 151 D C 0.000 176.411 176.300 0.185 0.000 1.150 151 D CA 0.169 54.344 54.000 0.291 0.000 0.831 151 D CB 0.897 41.993 40.800 0.493 0.000 0.981 151 D HN 0.002 nan 8.370 nan 0.000 0.500 152 V N -2.822 117.118 119.914 0.043 0.000 2.962 152 V HA 0.684 4.805 4.120 0.001 0.000 0.313 152 V C -2.954 172.988 176.094 -0.254 0.000 1.099 152 V CA -2.641 59.637 62.300 -0.036 0.000 0.971 152 V CB 2.314 34.156 31.823 0.031 0.000 1.028 152 V HN -0.321 nan 8.190 nan 0.000 0.430 153 P HA 0.306 nan 4.420 nan 0.000 0.268 153 P C -2.743 174.302 177.300 -0.425 0.000 1.208 153 P CA -0.875 61.837 63.100 -0.646 0.000 0.777 153 P CB -0.386 31.213 31.700 -0.168 0.000 0.875 154 P HA 0.032 nan 4.420 nan 0.000 0.265 154 P C 1.018 178.310 177.300 -0.014 0.000 1.193 154 P CA 1.434 64.368 63.100 -0.277 0.000 0.765 154 P CB 0.037 31.585 31.700 -0.252 0.000 0.823 155 G N 2.477 111.277 108.800 -0.000 0.000 2.253 155 G HA2 -0.384 3.576 3.960 0.001 0.000 0.251 155 G HA3 -0.384 3.576 3.960 0.001 0.000 0.251 155 G C 0.898 175.822 174.900 0.041 0.000 0.998 155 G CA 0.243 45.375 45.100 0.054 0.000 0.621 155 G HN 0.504 nan 8.290 nan 0.000 0.524 156 F N 1.229 121.084 119.950 -0.159 0.000 2.202 156 F HA 0.203 4.731 4.527 0.001 0.000 0.301 156 F C 2.120 177.768 175.800 -0.252 0.000 1.082 156 F CA 1.976 59.728 58.000 -0.413 0.000 1.313 156 F CB -0.026 38.644 39.000 -0.549 0.000 1.024 156 F HN 0.211 nan 8.300 nan 0.000 0.495 157 L N -0.062 121.042 121.223 -0.199 0.000 2.653 157 L HA 0.095 4.436 4.340 0.001 0.000 0.231 157 L C -0.174 176.574 176.870 -0.203 0.000 1.153 157 L CA -0.346 54.346 54.840 -0.246 0.000 0.933 157 L CB -0.731 41.240 42.059 -0.147 0.000 1.175 157 L HN -0.158 nan 8.230 nan 0.000 0.473 158 D N 1.046 121.341 120.400 -0.175 0.000 2.493 158 D HA 0.027 4.668 4.640 0.001 0.000 0.240 158 D C 1.174 177.390 176.300 -0.140 0.000 1.142 158 D CA 0.406 54.333 54.000 -0.122 0.000 0.872 158 D CB 1.678 42.430 40.800 -0.080 0.000 1.173 158 D HN 0.122 nan 8.370 nan 0.000 0.467 159 A N 3.408 126.163 122.820 -0.108 0.000 1.948 159 A HA -0.253 4.068 4.320 0.001 0.000 0.220 159 A C 1.506 179.033 177.584 -0.094 0.000 1.177 159 A CA 2.038 54.014 52.037 -0.101 0.000 0.636 159 A CB -0.358 18.597 19.000 -0.075 0.000 0.815 159 A HN 0.686 nan 8.150 nan 0.000 0.449 160 D N -1.390 118.962 120.400 -0.080 0.000 2.349 160 D HA 0.082 4.723 4.640 0.001 0.000 0.224 160 D C 0.486 176.737 176.300 -0.081 0.000 1.029 160 D CA -0.030 53.929 54.000 -0.068 0.000 0.879 160 D CB -0.266 40.504 40.800 -0.050 0.000 0.906 160 D HN 0.346 nan 8.370 nan 0.000 0.528 161 L N 1.277 122.432 121.223 -0.113 0.000 2.278 161 L HA 0.471 4.811 4.340 0.001 0.000 0.287 161 L C -0.288 176.494 176.870 -0.148 0.000 1.072 161 L CA -0.697 54.066 54.840 -0.129 0.000 0.819 161 L CB 0.741 42.702 42.059 -0.164 0.000 1.176 161 L HN 0.102 nan 8.230 nan 0.000 0.435 162 A N 5.654 128.417 122.820 -0.095 0.000 2.320 162 A HA 0.591 4.911 4.320 0.001 0.000 0.287 162 A C -0.550 177.019 177.584 -0.024 0.000 1.181 162 A CA -0.368 51.637 52.037 -0.052 0.000 0.831 162 A CB 0.824 19.893 19.000 0.115 0.000 1.102 162 A HN 0.487 nan 8.150 nan 0.000 0.513 163 V N 4.510 124.287 119.914 -0.227 0.000 2.680 163 V HA 0.538 4.658 4.120 0.001 0.000 0.309 163 V C -0.475 175.285 176.094 -0.557 0.000 1.052 163 V CA -0.617 61.567 62.300 -0.194 0.000 0.908 163 V CB 1.763 33.469 31.823 -0.195 0.000 1.001 163 V HN 0.985 nan 8.190 nan 0.000 0.431 164 H N 1.491 120.457 119.070 -0.173 0.000 2.980 164 H HA 0.845 5.401 4.556 0.001 0.000 0.367 164 H C 0.039 175.065 175.328 -0.503 0.000 1.206 164 H CA -0.040 55.639 56.048 -0.615 0.000 1.126 164 H CB 2.580 31.465 29.762 -1.462 0.000 1.838 164 H HN 0.959 nan 8.280 nan 0.000 0.552 165 G N 0.064 108.733 108.800 -0.219 0.000 2.548 165 G HA2 0.490 4.451 3.960 0.001 0.000 0.301 165 G HA3 0.490 4.451 3.960 0.001 0.000 0.301 165 G C -1.842 173.201 174.900 0.238 0.000 1.349 165 G CA -0.879 44.328 45.100 0.177 0.000 0.792 165 G HN 0.654 nan 8.290 nan 0.000 0.481 166 Q N -1.394 118.514 119.800 0.180 0.000 2.482 166 Q HA 0.712 5.052 4.340 0.001 0.000 0.286 166 Q C -1.432 174.553 176.000 -0.024 0.000 1.007 166 Q CA -1.115 54.696 55.803 0.013 0.000 0.801 166 Q CB 2.212 30.979 28.738 0.049 0.000 1.455 166 Q HN 0.996 nan 8.270 nan 0.000 0.398 167 H N -1.126 117.949 119.070 0.009 0.000 2.946 167 H HA 0.857 5.414 4.556 0.001 0.000 0.365 167 H C -1.175 174.168 175.328 0.026 0.000 1.197 167 H CA -0.968 55.074 56.048 -0.011 0.000 1.131 167 H CB 1.703 31.457 29.762 -0.014 0.000 1.849 167 H HN 0.995 nan 8.280 nan 0.000 0.555 168 R N 0.465 121.132 120.500 0.278 0.000 2.710 168 R HA 0.672 5.013 4.340 0.001 0.000 0.270 168 R C -1.979 174.435 176.300 0.191 0.000 1.021 168 R CA -1.153 55.082 56.100 0.226 0.000 0.889 168 R CB 1.402 31.817 30.300 0.192 0.000 1.243 168 R HN 0.394 nan 8.270 nan 0.000 0.464 169 V N 2.110 122.102 119.914 0.129 0.000 2.465 169 V HA 0.353 4.473 4.120 0.001 0.000 0.279 169 V C -0.236 175.883 176.094 0.042 0.000 1.045 169 V CA -0.570 61.774 62.300 0.074 0.000 0.938 169 V CB 1.484 33.346 31.823 0.066 0.000 0.986 169 V HN 0.504 nan 8.190 nan 0.000 0.467 170 V N 3.670 123.524 119.914 -0.100 0.000 2.459 170 V HA 0.352 4.472 4.120 0.001 0.000 0.295 170 V C -0.092 175.952 176.094 -0.083 0.000 1.029 170 V CA -0.749 61.456 62.300 -0.160 0.000 0.874 170 V CB 1.930 33.489 31.823 -0.441 0.000 0.985 170 V HN 0.813 nan 8.190 nan 0.000 0.438 171 D N 4.633 125.024 120.400 -0.016 0.000 2.671 171 D HA 0.508 5.148 4.640 0.001 0.000 0.228 171 D C 0.207 176.441 176.300 -0.109 0.000 1.102 171 D CA 0.572 54.515 54.000 -0.094 0.000 1.044 171 D CB 0.524 41.298 40.800 -0.043 0.000 1.113 171 D HN 0.741 nan 8.370 nan 0.000 0.480 172 A N 1.167 123.968 122.820 -0.032 0.000 2.608 172 A HA 0.282 4.603 4.320 0.001 0.000 0.292 172 A C -0.266 177.441 177.584 0.206 0.000 1.066 172 A CA -0.914 51.158 52.037 0.058 0.000 0.676 172 A CB 1.251 20.311 19.000 0.101 0.000 1.277 172 A HN 0.203 nan 8.150 nan 0.000 0.413 173 N N 1.543 120.291 118.700 0.080 0.000 2.441 173 N HA -0.032 4.708 4.740 0.001 0.000 0.251 173 N C 1.474 176.972 175.510 -0.020 0.000 1.242 173 N CA 0.457 53.552 53.050 0.074 0.000 0.898 173 N CB 0.409 38.870 38.487 -0.043 0.000 1.100 173 N HN 0.886 nan 8.380 nan 0.000 0.443 174 W N 5.085 126.343 121.300 -0.069 0.000 2.350 174 W HA -0.154 4.507 4.660 0.000 0.000 0.289 174 W C 1.116 177.449 176.519 -0.311 0.000 1.215 174 W CA 0.357 57.529 57.345 -0.289 0.000 1.236 174 W CB -0.731 28.702 29.460 -0.045 0.000 1.130 174 W HN 0.591 nan 8.180 nan 0.000 0.541 175 R N -0.113 119.634 120.500 -1.255 0.000 2.148 175 R HA -0.116 4.224 4.340 0.001 0.000 0.227 175 R C 2.429 178.387 176.300 -0.570 0.000 1.103 175 R CA 1.699 57.137 56.100 -1.103 0.000 0.983 175 R CB -0.335 29.340 30.300 -1.041 0.000 0.874 175 R HN 0.078 nan 8.270 nan 0.000 0.451 176 M N -0.496 118.821 119.600 -0.471 0.000 2.229 176 M HA -0.022 4.459 4.480 0.001 0.000 0.264 176 M C 2.234 178.275 176.300 -0.430 0.000 1.063 176 M CA 1.390 56.470 55.300 -0.366 0.000 1.114 176 M CB -1.117 31.355 32.600 -0.213 0.000 1.387 176 M HN 0.270 nan 8.290 nan 0.000 0.420 177 G N -0.490 107.949 108.800 -0.603 0.000 2.414 177 G HA2 -0.124 3.836 3.960 0.001 0.000 0.215 177 G HA3 -0.124 3.836 3.960 0.001 0.000 0.215 177 G C 1.667 175.774 174.900 -1.321 0.000 1.188 177 G CA 0.823 45.439 45.100 -0.806 0.000 0.783 177 G HN 0.353 nan 8.290 nan 0.000 0.537 178 V N 0.433 119.631 119.914 -1.194 0.000 2.515 178 V HA -0.072 4.048 4.120 0.001 0.000 0.250 178 V C 2.714 178.470 176.094 -0.564 0.000 1.058 178 V CA 2.190 63.916 62.300 -0.956 0.000 1.064 178 V CB -0.186 31.358 31.823 -0.464 0.000 0.675 178 V HN 0.344 nan 8.190 nan 0.000 0.461 179 E N 0.213 120.173 120.200 -0.401 0.000 2.077 179 E HA -0.231 4.120 4.350 0.001 0.000 0.193 179 E C 2.129 178.562 176.600 -0.277 0.000 0.989 179 E CA 1.565 57.822 56.400 -0.238 0.000 0.800 179 E CB -0.580 28.990 29.700 -0.217 0.000 0.746 179 E HN 0.770 nan 8.360 nan 0.000 0.452 180 N N 0.724 119.206 118.700 -0.363 0.000 2.188 180 N HA -0.121 4.619 4.740 0.001 0.000 0.184 180 N C 2.051 177.315 175.510 -0.410 0.000 1.018 180 N CA 1.354 54.166 53.050 -0.397 0.000 0.858 180 N CB -0.075 38.202 38.487 -0.349 0.000 0.989 180 N HN 0.086 nan 8.380 nan 0.000 0.426 181 G N -0.148 108.462 108.800 -0.317 0.000 2.402 181 G HA2 -0.213 3.748 3.960 0.001 0.000 0.216 181 G HA3 -0.213 3.748 3.960 0.001 0.000 0.216 181 G C 0.987 175.915 174.900 0.046 0.000 1.162 181 G CA 0.189 45.252 45.100 -0.061 0.000 0.777 181 G HN 0.379 nan 8.290 nan 0.000 0.539 182 F N 1.656 121.463 119.950 -0.238 0.000 2.692 182 F HA 0.311 4.838 4.527 0.001 0.000 0.303 182 F C 0.501 176.234 175.800 -0.112 0.000 1.114 182 F CA -1.496 56.387 58.000 -0.196 0.000 1.361 182 F CB 0.132 38.921 39.000 -0.353 0.000 1.063 182 F HN -0.036 nan 8.300 nan 0.000 0.550 183 D N 1.108 121.430 120.400 -0.130 0.000 2.346 183 D HA 0.070 4.710 4.640 0.001 0.000 0.267 183 D C 1.396 177.704 176.300 0.012 0.000 1.320 183 D CA 0.479 54.423 54.000 -0.093 0.000 0.951 183 D CB 1.269 41.998 40.800 -0.118 0.000 1.079 183 D HN 0.326 nan 8.370 nan 0.000 0.509 184 A N 3.258 125.965 122.820 -0.187 0.000 2.024 184 A HA -0.029 4.291 4.320 0.001 0.000 0.220 184 A C 1.581 179.189 177.584 0.041 0.000 1.164 184 A CA 1.400 53.334 52.037 -0.172 0.000 0.643 184 A CB 0.013 18.832 19.000 -0.302 0.000 0.806 184 A HN 0.573 nan 8.150 nan 0.000 0.451 185 G N -1.303 107.572 108.800 0.124 0.000 4.547 185 G HA2 0.368 4.328 3.960 0.001 0.000 0.301 185 G HA3 0.368 4.328 3.960 0.001 0.000 0.301 185 G C 0.435 175.479 174.900 0.240 0.000 1.240 185 G CA 0.501 45.730 45.100 0.216 0.000 0.970 185 G HN 0.737 nan 8.290 nan 0.000 0.574 186 H N -0.412 118.738 119.070 0.134 0.000 2.594 186 H HA 0.039 4.596 4.556 0.001 0.000 0.279 186 H C 1.668 177.072 175.328 0.127 0.000 1.042 186 H CA 0.569 56.683 56.048 0.110 0.000 1.177 186 H CB -0.341 29.451 29.762 0.049 0.000 1.524 186 H HN 0.193 nan 8.280 nan 0.000 0.537 187 V N -1.526 118.301 119.914 -0.144 0.000 2.546 187 V HA -0.260 3.860 4.120 0.001 0.000 0.254 187 V C 2.242 178.345 176.094 0.015 0.000 1.076 187 V CA 1.611 63.875 62.300 -0.060 0.000 1.087 187 V CB -1.692 30.118 31.823 -0.021 0.000 0.674 187 V HN 0.261 nan 8.190 nan 0.000 0.470 188 F N 0.962 120.852 119.950 -0.100 0.000 2.147 188 F HA -0.200 4.327 4.527 0.001 0.000 0.301 188 F C 2.083 177.823 175.800 -0.101 0.000 1.084 188 F CA 2.144 60.093 58.000 -0.085 0.000 1.268 188 F CB -0.181 38.782 39.000 -0.061 0.000 1.009 188 F HN 0.188 nan 8.300 nan 0.000 0.486 189 I N -0.799 119.717 120.570 -0.090 0.000 2.756 189 I HA -0.273 3.898 4.170 0.001 0.000 0.262 189 I C 1.448 177.300 176.117 -0.442 0.000 1.225 189 I CA 1.062 62.195 61.300 -0.278 0.000 1.472 189 I CB -0.384 37.461 38.000 -0.259 0.000 1.094 189 I HN 0.158 nan 8.210 nan 0.000 0.454 190 H N 0.882 119.809 119.070 -0.239 0.000 2.586 190 H HA 0.068 4.624 4.556 0.001 0.000 0.273 190 H C 1.613 176.830 175.328 -0.185 0.000 0.997 190 H CA 0.200 56.053 56.048 -0.325 0.000 1.177 190 H CB 0.088 29.515 29.762 -0.558 0.000 1.471 190 H HN 0.481 nan 8.280 nan 0.000 0.538 191 K N 1.147 121.472 120.400 -0.125 0.000 2.442 191 K HA -0.083 4.237 4.320 0.001 0.000 0.199 191 K C 1.162 177.716 176.600 -0.076 0.000 1.044 191 K CA 1.593 57.813 56.287 -0.111 0.000 0.941 191 K CB 0.031 32.381 32.500 -0.250 0.000 0.759 191 K HN 0.106 nan 8.250 nan 0.000 0.472 192 S N -0.186 115.466 115.700 -0.081 0.000 2.749 192 S HA 0.097 4.568 4.470 0.001 0.000 0.246 192 S C 0.115 174.708 174.600 -0.012 0.000 1.023 192 S CA -0.714 57.457 58.200 -0.047 0.000 1.012 192 S CB 0.503 63.665 63.200 -0.063 0.000 0.942 192 S HN 0.251 nan 8.310 nan 0.000 0.531 193 S N 1.825 117.536 115.700 0.019 0.000 2.562 193 S HA 0.249 4.719 4.470 0.001 0.000 0.281 193 S C 1.475 176.121 174.600 0.077 0.000 1.333 193 S CA -0.521 57.729 58.200 0.084 0.000 1.052 193 S CB -0.088 63.239 63.200 0.211 0.000 0.884 193 S HN 0.582 nan 8.310 nan 0.000 0.506 194 I N 3.030 123.651 120.570 0.085 0.000 2.916 194 I HA 0.009 4.179 4.170 0.001 0.000 0.267 194 I C 1.753 177.911 176.117 0.068 0.000 1.263 194 I CA 0.865 62.200 61.300 0.060 0.000 1.471 194 I CB -0.343 37.688 38.000 0.052 0.000 1.089 194 I HN 0.557 nan 8.210 nan 0.000 0.468 195 L N 1.127 122.427 121.223 0.128 0.000 2.217 195 L HA -0.018 4.322 4.340 0.001 0.000 0.211 195 L C 2.184 179.072 176.870 0.030 0.000 1.107 195 L CA 1.524 56.428 54.840 0.107 0.000 0.783 195 L CB -0.376 41.779 42.059 0.159 0.000 0.919 195 L HN 0.257 nan 8.230 nan 0.000 0.442 196 L N -0.711 120.497 121.223 -0.025 0.000 1.976 196 L HA -0.202 4.139 4.340 0.001 0.000 0.209 196 L C 1.901 178.695 176.870 -0.127 0.000 1.071 196 L CA 1.681 56.376 54.840 -0.243 0.000 0.746 196 L CB -0.839 40.831 42.059 -0.648 0.000 0.890 196 L HN 0.251 nan 8.230 nan 0.000 0.432 197 D N -0.383 119.996 120.400 -0.035 0.000 2.349 197 D HA -0.015 4.626 4.640 0.001 0.000 0.215 197 D C 1.983 178.323 176.300 0.067 0.000 1.016 197 D CA 0.914 54.985 54.000 0.118 0.000 0.870 197 D CB 0.293 41.176 40.800 0.139 0.000 0.917 197 D HN 0.350 nan 8.370 nan 0.000 0.524 198 G N 0.578 109.401 108.800 0.037 0.000 2.464 198 G HA2 -0.189 3.772 3.960 0.001 0.000 0.217 198 G HA3 -0.189 3.772 3.960 0.001 0.000 0.217 198 G C 1.396 176.311 174.900 0.025 0.000 1.138 198 G CA 0.186 45.299 45.100 0.021 0.000 0.793 198 G HN 0.139 nan 8.290 nan 0.000 0.539 199 N N -0.101 118.630 118.700 0.052 0.000 2.305 199 N HA 0.074 4.815 4.740 0.001 0.000 0.248 199 N C -0.213 175.343 175.510 0.077 0.000 1.290 199 N CA 0.005 53.101 53.050 0.077 0.000 0.873 199 N CB 0.089 38.658 38.487 0.136 0.000 1.261 199 N HN 0.029 nan 8.380 nan 0.000 0.504 200 D N 0.476 120.933 120.400 0.095 0.000 2.740 200 D HA -0.216 4.425 4.640 0.001 0.000 0.231 200 D C -0.854 175.529 176.300 0.139 0.000 1.194 200 D CA 0.766 54.846 54.000 0.134 0.000 0.673 200 D CB -1.100 39.752 40.800 0.087 0.000 0.995 200 D HN 0.438 nan 8.370 nan 0.000 0.411 201 I N 0.211 120.875 120.570 0.156 0.000 2.525 201 I HA 0.560 4.731 4.170 0.001 0.000 0.301 201 I C 1.001 177.279 176.117 0.268 0.000 0.992 201 I CA -1.071 60.310 61.300 0.135 0.000 1.162 201 I CB 1.698 39.716 38.000 0.031 0.000 1.332 201 I HN 0.269 nan 8.210 nan 0.000 0.458 202 A N 6.216 129.182 122.820 0.243 0.000 2.363 202 A HA 0.655 4.975 4.320 0.001 0.000 0.270 202 A C -0.863 176.940 177.584 0.365 0.000 1.121 202 A CA -0.175 52.064 52.037 0.336 0.000 0.800 202 A CB 0.613 19.772 19.000 0.265 0.000 1.052 202 A HN 0.555 nan 8.150 nan 0.000 0.493 203 L N 4.947 126.439 121.223 0.449 0.000 2.555 203 L HA 0.482 4.822 4.340 0.001 0.000 0.264 203 L C -2.488 174.411 176.870 0.048 0.000 0.972 203 L CA -1.334 53.657 54.840 0.252 0.000 0.876 203 L CB 2.347 44.537 42.059 0.218 0.000 1.216 203 L HN 0.524 nan 8.230 nan 0.000 0.415 204 P HA 0.198 nan 4.420 nan 0.000 0.275 204 P C 0.592 177.573 177.300 -0.531 0.000 1.266 204 P CA -0.303 62.121 63.100 -1.127 0.000 0.793 204 P CB 1.297 32.155 31.700 -1.403 0.000 1.074 205 L N -1.249 119.703 121.223 -0.452 0.000 2.209 205 L HA 0.230 4.571 4.340 0.001 0.000 0.207 205 L C 1.547 178.292 176.870 -0.209 0.000 1.094 205 L CA 1.338 56.096 54.840 -0.137 0.000 0.790 205 L CB -0.506 41.560 42.059 0.013 0.000 0.932 205 L HN 0.624 nan 8.230 nan 0.000 0.447 206 G N -1.539 106.951 108.800 -0.517 0.000 2.450 206 G HA2 0.423 4.383 3.960 0.001 0.000 0.273 206 G HA3 0.423 4.383 3.960 0.001 0.000 0.273 206 G C -1.924 172.368 174.900 -1.013 0.000 1.221 206 G CA -0.536 44.192 45.100 -0.620 0.000 0.900 206 G HN -0.164 nan 8.290 nan 0.000 0.483 207 F N -0.074 119.829 119.950 -0.078 0.000 2.608 207 F HA 0.708 5.235 4.527 0.001 0.000 0.309 207 F C 0.280 176.034 175.800 -0.077 0.000 1.103 207 F CA -0.663 57.291 58.000 -0.076 0.000 0.954 207 F CB 2.596 41.549 39.000 -0.078 0.000 1.267 207 F HN 0.699 nan 8.300 nan 0.000 0.444 208 A N 3.575 126.476 122.820 0.136 0.000 2.621 208 A HA 0.688 5.008 4.320 0.001 0.000 0.329 208 A C -2.659 174.958 177.584 0.056 0.000 1.458 208 A CA -1.666 50.406 52.037 0.059 0.000 1.052 208 A CB -0.529 18.501 19.000 0.050 0.000 1.142 208 A HN 0.383 nan 8.150 nan 0.000 0.523 209 P HA 0.120 nan 4.420 nan 0.000 0.266 209 P C 0.954 178.256 177.300 0.004 0.000 1.193 209 P CA 0.602 63.693 63.100 -0.015 0.000 0.770 209 P CB 0.850 32.500 31.700 -0.083 0.000 0.836 210 G N 0.941 109.753 108.800 0.020 0.000 2.714 210 G HA2 0.180 4.141 3.960 0.001 0.000 0.197 210 G HA3 0.180 4.141 3.960 0.001 0.000 0.197 210 G C -0.583 174.326 174.900 0.016 0.000 1.449 210 G CA -0.215 44.908 45.100 0.039 0.000 1.065 210 G HN 0.512 nan 8.290 nan 0.000 0.575 211 D N -0.126 120.290 120.400 0.026 0.000 2.450 211 D HA 0.200 4.840 4.640 0.001 0.000 0.247 211 D C -1.285 174.999 176.300 -0.026 0.000 1.162 211 D CA -1.191 52.811 54.000 0.005 0.000 0.879 211 D CB 1.328 42.137 40.800 0.015 0.000 1.163 211 D HN -0.103 nan 8.370 nan 0.000 0.472 212 P HA -0.192 nan 4.420 nan 0.000 0.217 212 P C 0.711 177.981 177.300 -0.050 0.000 1.151 212 P CA 1.124 64.201 63.100 -0.038 0.000 0.849 212 P CB 0.173 31.863 31.700 -0.017 0.000 0.787 213 E N -0.845 119.331 120.200 -0.041 0.000 2.418 213 E HA -0.108 4.243 4.350 0.001 0.000 0.197 213 E C 1.473 178.020 176.600 -0.089 0.000 1.026 213 E CA 0.855 57.228 56.400 -0.045 0.000 0.862 213 E CB -0.338 29.349 29.700 -0.022 0.000 0.799 213 E HN 0.512 nan 8.360 nan 0.000 0.518 214 Q N -0.153 119.560 119.800 -0.145 0.000 2.198 214 Q HA 0.227 4.568 4.340 0.001 0.000 0.209 214 Q C 1.602 177.287 176.000 -0.526 0.000 0.848 214 Q CA -0.145 55.465 55.803 -0.321 0.000 0.974 214 Q CB 0.639 29.200 28.738 -0.296 0.000 1.115 214 Q HN 0.238 nan 8.270 nan 0.000 0.494 215 L N 0.214 121.271 121.223 -0.276 0.000 2.418 215 L HA 0.064 4.405 4.340 0.001 0.000 0.218 215 L C 1.049 177.823 176.870 -0.161 0.000 1.125 215 L CA 0.741 55.446 54.840 -0.226 0.000 0.835 215 L CB 0.072 42.045 42.059 -0.144 0.000 0.953 215 L HN 0.145 nan 8.230 nan 0.000 0.454 216 T N -2.518 111.968 114.554 -0.115 0.000 2.843 216 T HA 0.543 4.893 4.350 0.001 0.000 0.302 216 T C -0.792 173.911 174.700 0.006 0.000 1.232 216 T CA -0.864 61.225 62.100 -0.018 0.000 1.009 216 T CB 3.015 71.898 68.868 0.025 0.000 1.254 216 T HN 0.051 nan 8.240 nan 0.000 0.504 217 R N 0.870 121.423 120.500 0.089 0.000 2.538 217 R HA 0.646 4.987 4.340 0.001 0.000 0.292 217 R C -1.319 175.063 176.300 0.137 0.000 1.008 217 R CA -0.444 55.720 56.100 0.106 0.000 0.896 217 R CB 1.974 32.344 30.300 0.116 0.000 1.187 217 R HN 0.766 nan 8.270 nan 0.000 0.440 218 S N 2.377 118.119 115.700 0.070 0.000 2.475 218 S HA 0.465 4.935 4.470 0.001 0.000 0.298 218 S C -0.875 173.743 174.600 0.029 0.000 1.119 218 S CA -0.629 57.577 58.200 0.010 0.000 1.085 218 S CB 1.874 65.070 63.200 -0.006 0.000 1.028 218 S HN 0.354 nan 8.310 nan 0.000 0.489 219 V N 3.179 123.083 119.914 -0.017 0.000 2.350 219 V HA 0.438 4.558 4.120 0.001 0.000 0.285 219 V C 0.686 176.739 176.094 -0.068 0.000 1.014 219 V CA -0.607 61.722 62.300 0.048 0.000 0.831 219 V CB 1.006 32.968 31.823 0.233 0.000 1.000 219 V HN 1.082 nan 8.190 nan 0.000 0.433 220 T N 0.157 114.630 114.554 -0.136 0.000 3.288 220 T HA 0.305 4.656 4.350 0.001 0.000 0.293 220 T C 0.662 175.205 174.700 -0.261 0.000 1.008 220 T CA 0.187 62.059 62.100 -0.380 0.000 0.929 220 T CB 0.313 68.826 68.868 -0.593 0.000 1.152 220 T HN 0.731 nan 8.240 nan 0.000 0.517 221 G N 1.045 109.788 108.800 -0.095 0.000 2.467 221 G HA2 0.467 4.428 3.960 0.001 0.000 0.257 221 G HA3 0.467 4.428 3.960 0.001 0.000 0.257 221 G C -0.061 174.814 174.900 -0.041 0.000 1.227 221 G CA -0.456 44.618 45.100 -0.043 0.000 0.835 221 G HN 0.289 nan 8.290 nan 0.000 0.556 222 E N -0.024 120.164 120.200 -0.020 0.000 2.392 222 E HA 0.355 4.706 4.350 0.001 0.000 0.259 222 E C 1.289 177.889 176.600 0.001 0.000 1.108 222 E CA 0.785 57.180 56.400 -0.009 0.000 0.916 222 E CB 1.116 30.820 29.700 0.007 0.000 0.989 222 E HN 0.995 nan 8.360 nan 0.000 0.432 223 G N 0.026 108.827 108.800 0.003 0.000 2.205 223 G HA2 -0.217 3.744 3.960 0.001 0.000 0.261 223 G HA3 -0.217 3.744 3.960 0.001 0.000 0.261 223 G C 0.266 175.172 174.900 0.010 0.000 0.980 223 G CA 0.453 45.559 45.100 0.011 0.000 0.632 223 G HN 0.842 nan 8.290 nan 0.000 0.533 224 A N -0.125 122.701 122.820 0.009 0.000 2.566 224 A HA 0.915 5.235 4.320 0.001 0.000 0.292 224 A C -2.699 174.898 177.584 0.022 0.000 1.112 224 A CA -0.889 51.151 52.037 0.005 0.000 0.707 224 A CB 1.718 20.724 19.000 0.010 0.000 1.302 224 A HN 0.274 nan 8.150 nan 0.000 0.409 225 P HA 0.140 nan 4.420 nan 0.000 0.266 225 P C -1.050 176.424 177.300 0.291 0.000 1.195 225 P CA 0.398 63.539 63.100 0.069 0.000 0.768 225 P CB 0.382 31.963 31.700 -0.199 0.000 0.838 226 K N 1.678 122.273 120.400 0.325 0.000 2.206 226 K HA 0.718 5.039 4.320 0.001 0.000 0.264 226 K C 0.391 177.108 176.600 0.194 0.000 0.967 226 K CA -0.563 55.843 56.287 0.199 0.000 0.844 226 K CB 1.966 34.431 32.500 -0.059 0.000 1.099 226 K HN 0.718 nan 8.250 nan 0.000 0.441 227 G N 0.567 109.222 108.800 -0.241 0.000 2.554 227 G HA2 0.466 4.427 3.960 0.001 0.000 0.306 227 G HA3 0.466 4.427 3.960 0.001 0.000 0.306 227 G C -1.713 172.649 174.900 -0.896 0.000 1.320 227 G CA -0.527 44.058 45.100 -0.858 0.000 0.800 227 G HN 0.297 nan 8.290 nan 0.000 0.481 228 V N 0.150 119.448 119.914 -1.027 0.000 2.656 228 V HA 0.606 4.726 4.120 0.001 0.000 0.307 228 V C -1.193 174.554 176.094 -0.579 0.000 1.051 228 V CA -0.621 61.333 62.300 -0.577 0.000 0.893 228 V CB 1.591 33.272 31.823 -0.237 0.000 0.999 228 V HN 0.538 nan 8.190 nan 0.000 0.426 229 F N 2.265 122.149 119.950 -0.110 0.000 2.408 229 F HA 0.424 4.951 4.527 0.001 0.000 0.344 229 F C 0.412 176.278 175.800 0.111 0.000 1.112 229 F CA -0.530 57.484 58.000 0.023 0.000 1.096 229 F CB 1.226 40.236 39.000 0.016 0.000 1.129 229 F HN 0.535 nan 8.300 nan 0.000 0.486 230 D N 4.555 125.136 120.400 0.301 0.000 2.347 230 D HA 0.222 4.863 4.640 0.001 0.000 0.235 230 D C -0.133 176.177 176.300 0.017 0.000 1.149 230 D CA -0.001 54.013 54.000 0.023 0.000 0.850 230 D CB 0.523 41.181 40.800 -0.236 0.000 1.061 230 D HN 0.524 nan 8.370 nan 0.000 0.487 231 L N 4.560 125.767 121.223 -0.027 0.000 2.928 231 L HA 0.204 4.545 4.340 0.001 0.000 0.246 231 L C 1.862 178.710 176.870 -0.037 0.000 1.239 231 L CA -0.326 54.507 54.840 -0.013 0.000 1.035 231 L CB 0.206 42.233 42.059 -0.054 0.000 1.360 231 L HN 0.438 nan 8.230 nan 0.000 0.529 232 L N 0.409 121.532 121.223 -0.166 0.000 2.027 232 L HA -0.089 4.251 4.340 0.001 0.000 0.206 232 L C 2.392 179.070 176.870 -0.320 0.000 1.074 232 L CA 1.751 56.437 54.840 -0.256 0.000 0.745 232 L CB -0.245 41.570 42.059 -0.407 0.000 0.898 232 L HN 0.481 nan 8.230 nan 0.000 0.433 233 G N -0.912 107.644 108.800 -0.407 0.000 2.440 233 G HA2 -0.334 3.626 3.960 0.001 0.000 0.218 233 G HA3 -0.334 3.626 3.960 0.001 0.000 0.218 233 G C 1.427 176.253 174.900 -0.124 0.000 1.154 233 G CA 0.872 45.760 45.100 -0.353 0.000 0.767 233 G HN 0.491 nan 8.290 nan 0.000 0.552 234 E N -0.181 119.997 120.200 -0.037 0.000 2.285 234 E HA -0.063 4.287 4.350 0.001 0.000 0.194 234 E C 0.117 176.553 176.600 -0.273 0.000 0.997 234 E CA 0.225 56.575 56.400 -0.084 0.000 0.845 234 E CB 0.115 29.811 29.700 -0.007 0.000 0.782 234 E HN 0.594 nan 8.360 nan 0.000 0.491 235 H N -0.535 118.486 119.070 -0.082 0.000 2.386 235 H HA 0.314 4.871 4.556 0.001 0.000 0.232 235 H C -1.021 174.274 175.328 -0.056 0.000 1.416 235 H CA -0.156 55.857 56.048 -0.057 0.000 1.285 235 H CB 0.670 30.399 29.762 -0.056 0.000 1.625 235 H HN 0.015 nan 8.280 nan 0.000 0.521 236 S N -1.101 114.617 115.700 0.031 0.000 2.643 236 S HA 0.409 4.879 4.470 0.001 0.000 0.266 236 S C -1.518 173.141 174.600 0.098 0.000 1.130 236 S CA -1.009 57.227 58.200 0.061 0.000 0.817 236 S CB 0.983 64.216 63.200 0.055 0.000 1.107 236 S HN 0.018 nan 8.310 nan 0.000 0.471 237 V N 2.986 122.977 119.914 0.130 0.000 2.328 237 V HA 0.511 4.632 4.120 0.001 0.000 0.278 237 V C -2.202 174.003 176.094 0.186 0.000 1.021 237 V CA -1.766 60.616 62.300 0.137 0.000 0.838 237 V CB 1.106 32.986 31.823 0.093 0.000 0.999 237 V HN 0.806 nan 8.190 nan 0.000 0.447 238 P HA 0.121 nan 4.420 nan 0.000 0.264 238 P C -0.678 176.602 177.300 -0.033 0.000 1.193 238 P CA 0.009 63.186 63.100 0.128 0.000 0.763 238 P CB 0.914 32.751 31.700 0.228 0.000 0.810 239 I N 4.301 124.704 120.570 -0.279 0.000 2.304 239 I HA 0.155 4.325 4.170 0.001 0.000 0.291 239 I C 0.924 176.844 176.117 -0.328 0.000 1.018 239 I CA -0.235 60.953 61.300 -0.186 0.000 1.260 239 I CB -0.088 37.814 38.000 -0.164 0.000 1.390 239 I HN 0.327 nan 8.210 nan 0.000 0.475 240 F N 3.922 123.862 119.950 -0.017 0.000 2.724 240 F HA 0.144 4.672 4.527 0.001 0.000 0.306 240 F C 0.896 176.706 175.800 0.016 0.000 1.100 240 F CA -0.109 57.891 58.000 0.001 0.000 1.255 240 F CB 0.696 39.700 39.000 0.007 0.000 1.072 240 F HN 0.477 nan 8.300 nan 0.000 0.589 241 E N 0.138 120.431 120.200 0.155 0.000 2.321 241 E HA 0.747 5.098 4.350 0.001 0.000 0.278 241 E C -1.454 175.187 176.600 0.067 0.000 0.902 241 E CA -1.152 55.312 56.400 0.107 0.000 0.758 241 E CB 2.215 31.975 29.700 0.100 0.000 1.213 241 E HN -0.069 nan 8.360 nan 0.000 0.426 242 A N 1.851 124.706 122.820 0.058 0.000 2.454 242 A HA 0.815 5.135 4.320 0.001 0.000 0.302 242 A C -0.359 177.246 177.584 0.035 0.000 1.079 242 A CA -0.498 51.561 52.037 0.038 0.000 0.731 242 A CB 1.900 20.916 19.000 0.026 0.000 1.299 242 A HN 0.738 nan 8.150 nan 0.000 0.413 243 T N -1.228 113.340 114.554 0.023 0.000 2.942 243 T HA 0.780 5.130 4.350 0.001 0.000 0.289 243 T C -0.517 174.189 174.700 0.009 0.000 1.044 243 T CA -0.535 61.576 62.100 0.019 0.000 1.023 243 T CB 1.061 69.939 68.868 0.017 0.000 1.123 243 T HN 0.459 nan 8.240 nan 0.000 0.512 244 I N 1.550 122.126 120.570 0.009 0.000 2.411 244 I HA 0.305 4.475 4.170 0.001 0.000 0.284 244 I C 0.108 176.226 176.117 0.002 0.000 1.012 244 I CA -0.610 60.691 61.300 0.001 0.000 1.119 244 I CB 1.280 39.281 38.000 0.002 0.000 1.261 244 I HN 0.927 nan 8.210 nan 0.000 0.448 245 E N 4.468 124.667 120.200 -0.001 0.000 2.360 245 E HA -0.276 4.075 4.350 0.001 0.000 0.238 245 E C 1.041 177.643 176.600 0.003 0.000 1.186 245 E CA 0.623 57.023 56.400 -0.000 0.000 0.719 245 E CB -1.142 28.557 29.700 -0.002 0.000 1.236 245 E HN 1.211 nan 8.360 nan 0.000 0.386 246 G N -0.755 108.048 108.800 0.006 0.000 2.176 246 G HA2 -0.318 3.642 3.960 0.001 0.000 0.253 246 G HA3 -0.318 3.642 3.960 0.001 0.000 0.253 246 G C 0.083 174.989 174.900 0.010 0.000 0.979 246 G CA 0.570 45.675 45.100 0.008 0.000 0.641 246 G HN 0.223 nan 8.290 nan 0.000 0.530 247 Q N 0.248 120.054 119.800 0.010 0.000 2.306 247 Q HA 0.487 4.828 4.340 0.001 0.000 0.265 247 Q C -2.648 173.362 176.000 0.016 0.000 1.022 247 Q CA -2.119 53.691 55.803 0.012 0.000 0.853 247 Q CB 1.719 30.463 28.738 0.010 0.000 1.327 247 Q HN 0.125 nan 8.270 nan 0.000 0.449 248 P HA -0.043 nan 4.420 nan 0.000 0.264 248 P C -0.530 176.787 177.300 0.027 0.000 1.183 248 P CA 0.579 63.694 63.100 0.025 0.000 0.763 248 P CB 0.743 32.456 31.700 0.023 0.000 0.807 249 A N 4.091 126.932 122.820 0.036 0.000 1.921 249 A HA 0.421 4.741 4.320 0.001 0.000 0.202 249 A C 0.360 177.978 177.584 0.057 0.000 1.721 249 A CA 0.570 52.632 52.037 0.042 0.000 1.025 249 A CB 0.089 19.114 19.000 0.040 0.000 1.060 249 A HN 0.511 nan 8.150 nan 0.000 0.535 250 I N -0.974 119.637 120.570 0.069 0.000 3.021 250 I HA 0.375 4.546 4.170 0.001 0.000 0.305 250 I C -2.086 174.085 176.117 0.089 0.000 1.434 250 I CA -0.650 60.700 61.300 0.083 0.000 0.969 250 I CB 2.056 40.129 38.000 0.122 0.000 1.328 250 I HN 0.385 nan 8.210 nan 0.000 0.486 251 Q N 2.306 122.160 119.800 0.091 0.000 2.451 251 Q HA 0.536 4.877 4.340 0.001 0.000 0.281 251 Q C -0.226 175.855 176.000 0.135 0.000 1.099 251 Q CA -0.761 55.111 55.803 0.114 0.000 0.806 251 Q CB 2.281 31.079 28.738 0.100 0.000 1.419 251 Q HN 0.811 nan 8.270 nan 0.000 0.427 252 G N -0.201 108.722 108.800 0.206 0.000 2.514 252 G HA2 0.050 4.010 3.960 0.001 0.000 0.245 252 G HA3 0.050 4.010 3.960 0.001 0.000 0.245 252 G C -0.783 174.304 174.900 0.312 0.000 1.488 252 G CA 0.090 45.337 45.100 0.245 0.000 1.063 252 G HN 0.581 nan 8.290 nan 0.000 0.557 253 H N -0.452 118.787 119.070 0.282 0.000 2.658 253 H HA 0.389 4.945 4.556 0.001 0.000 0.337 253 H C -0.749 174.707 175.328 0.213 0.000 1.009 253 H CA -0.612 55.554 56.048 0.198 0.000 1.231 253 H CB 1.392 31.242 29.762 0.148 0.000 1.508 253 H HN 0.392 nan 8.280 nan 0.000 0.517 254 M N 4.558 123.956 119.600 -0.337 0.000 2.211 254 M HA 0.402 4.882 4.480 0.001 0.000 0.356 254 M C -0.643 175.494 176.300 -0.271 0.000 1.216 254 M CA 0.108 55.248 55.300 -0.266 0.000 1.134 254 M CB 0.519 32.968 32.600 -0.253 0.000 1.564 254 M HN 0.811 nan 8.290 nan 0.000 0.463 255 G N 1.449 110.225 108.800 -0.040 0.000 2.677 255 G HA2 0.372 4.332 3.960 0.001 0.000 0.291 255 G HA3 0.372 4.332 3.960 0.001 0.000 0.291 255 G C -0.204 174.720 174.900 0.040 0.000 1.435 255 G CA -0.055 45.080 45.100 0.057 0.000 0.826 255 G HN 0.772 nan 8.290 nan 0.000 0.491 256 S N -0.700 115.026 115.700 0.043 0.000 2.456 256 S HA 0.176 4.646 4.470 0.001 0.000 0.224 256 S C 0.753 175.378 174.600 0.042 0.000 1.035 256 S CA 0.335 58.552 58.200 0.029 0.000 0.940 256 S CB -0.020 63.192 63.200 0.020 0.000 0.799 256 S HN 0.422 nan 8.310 nan 0.000 0.508 257 K N 1.872 122.305 120.400 0.055 0.000 2.297 257 K HA 0.333 4.653 4.320 0.001 0.000 0.286 257 K C -0.585 176.052 176.600 0.061 0.000 1.053 257 K CA -0.040 56.274 56.287 0.046 0.000 0.940 257 K CB 0.656 33.176 32.500 0.032 0.000 1.019 257 K HN 0.274 nan 8.250 nan 0.000 0.475 258 M N 4.137 123.771 119.600 0.056 0.000 2.129 258 M HA 0.240 4.721 4.480 0.001 0.000 0.348 258 M C -0.059 176.280 176.300 0.064 0.000 1.116 258 M CA -0.742 54.606 55.300 0.080 0.000 1.022 258 M CB 0.758 33.404 32.600 0.078 0.000 1.599 258 M HN 0.434 nan 8.290 nan 0.000 0.449 259 V N 0.272 120.242 119.914 0.092 0.000 3.156 259 V HA 0.962 5.083 4.120 0.001 0.000 0.311 259 V C 0.531 176.733 176.094 0.180 0.000 1.208 259 V CA -0.741 61.624 62.300 0.108 0.000 1.063 259 V CB 1.287 33.139 31.823 0.049 0.000 1.098 259 V HN 1.065 nan 8.190 nan 0.000 0.452 260 A N 0.086 123.040 122.820 0.224 0.000 2.687 260 A HA -0.176 4.145 4.320 0.001 0.000 0.299 260 A C 0.746 178.381 177.584 0.085 0.000 1.497 260 A CA 1.376 53.494 52.037 0.134 0.000 0.751 260 A CB -2.288 16.769 19.000 0.094 0.000 1.048 260 A HN 1.120 nan 8.150 nan 0.000 0.464 261 I N -0.585 120.032 120.570 0.078 0.000 2.286 261 I HA -0.042 4.129 4.170 0.001 0.000 0.245 261 I C 1.395 177.543 176.117 0.052 0.000 1.104 261 I CA 1.697 63.031 61.300 0.057 0.000 1.397 261 I CB 0.063 38.093 38.000 0.050 0.000 1.072 261 I HN 0.607 nan 8.210 nan 0.000 0.417 262 S N 1.060 116.805 115.700 0.075 0.000 2.596 262 S HA 0.593 5.063 4.470 0.001 0.000 0.318 262 S C -0.675 174.014 174.600 0.148 0.000 1.097 262 S CA -0.622 57.653 58.200 0.125 0.000 1.080 262 S CB 0.542 63.835 63.200 0.154 0.000 0.991 262 S HN 0.079 nan 8.310 nan 0.000 0.471 263 I N 4.156 124.826 120.570 0.167 0.000 2.474 263 I HA 0.561 4.732 4.170 0.001 0.000 0.294 263 I C -0.244 176.039 176.117 0.277 0.000 1.005 263 I CA -0.533 60.869 61.300 0.170 0.000 1.113 263 I CB 2.264 40.318 38.000 0.090 0.000 1.289 263 I HN 0.732 nan 8.210 nan 0.000 0.436 264 S N 4.722 120.540 115.700 0.196 0.000 2.556 264 S HA 0.723 5.194 4.470 0.001 0.000 0.271 264 S C -1.315 173.032 174.600 -0.421 0.000 1.135 264 S CA -0.783 57.338 58.200 -0.133 0.000 0.858 264 S CB 2.286 65.252 63.200 -0.390 0.000 1.114 264 S HN 0.411 nan 8.310 nan 0.000 0.468 265 V N 2.066 121.279 119.914 -1.168 0.000 2.735 265 V HA 0.880 5.000 4.120 0.001 0.000 0.310 265 V C -2.101 173.276 176.094 -1.194 0.000 1.061 265 V CA -0.541 61.097 62.300 -1.104 0.000 0.913 265 V CB 1.502 32.348 31.823 -1.628 0.000 1.005 265 V HN 0.979 nan 8.190 nan 0.000 0.428 266 W N 4.245 125.327 121.300 -0.364 0.000 2.950 266 W HA 0.671 5.331 4.660 0.001 0.000 0.340 266 W C -0.520 176.025 176.519 0.044 0.000 1.139 266 W CA -0.797 56.466 57.345 -0.137 0.000 1.188 266 W CB 1.407 30.774 29.460 -0.154 0.000 1.426 266 W HN 0.436 nan 8.180 nan 0.000 0.531 267 L N 4.421 125.875 121.223 0.384 0.000 2.483 267 L HA 0.072 4.412 4.340 0.001 0.000 0.276 267 L C -0.829 176.149 176.870 0.180 0.000 1.213 267 L CA -1.062 53.962 54.840 0.308 0.000 0.843 267 L CB 0.756 42.901 42.059 0.143 0.000 1.107 267 L HN 0.241 nan 8.230 nan 0.000 0.487 268 P HA 0.055 nan 4.420 nan 0.000 0.245 268 P C 0.370 177.965 177.300 0.491 0.000 1.212 268 P CA 0.578 63.723 63.100 0.075 0.000 0.774 268 P CB 0.556 32.090 31.700 -0.275 0.000 0.999 269 G N -0.883 108.157 108.800 0.400 0.000 2.618 269 G HA2 0.117 4.078 3.960 0.001 0.000 0.234 269 G HA3 0.117 4.078 3.960 0.001 0.000 0.234 269 G C -1.463 173.530 174.900 0.155 0.000 2.826 269 G CA -0.309 45.022 45.100 0.385 0.000 0.836 269 G HN 0.270 nan 8.290 nan 0.000 0.498 270 V N 1.411 121.262 119.914 -0.106 0.000 2.638 270 V HA 0.882 5.002 4.120 0.001 0.000 0.306 270 V C -0.531 175.432 176.094 -0.219 0.000 1.052 270 V CA -1.086 60.968 62.300 -0.409 0.000 0.885 270 V CB 1.838 33.055 31.823 -1.010 0.000 0.999 270 V HN 0.726 nan 8.190 nan 0.000 0.424 271 L N 5.848 126.973 121.223 -0.164 0.000 2.343 271 L HA 0.644 4.984 4.340 0.001 0.000 0.275 271 L C -0.292 176.573 176.870 -0.009 0.000 1.056 271 L CA 0.141 54.967 54.840 -0.022 0.000 0.804 271 L CB 1.370 43.507 42.059 0.130 0.000 1.203 271 L HN 0.794 nan 8.230 nan 0.000 0.440 272 K N 3.826 124.254 120.400 0.045 0.000 2.579 272 K HA 0.561 4.882 4.320 0.001 0.000 0.250 272 K C -2.028 174.545 176.600 -0.045 0.000 0.952 272 K CA -0.600 55.658 56.287 -0.049 0.000 0.857 272 K CB 1.458 34.026 32.500 0.113 0.000 1.123 272 K HN 0.458 nan 8.250 nan 0.000 0.433 273 V N 3.551 123.379 119.914 -0.144 0.000 2.334 273 V HA 0.274 4.395 4.120 0.001 0.000 0.281 273 V C -0.878 175.174 176.094 -0.070 0.000 1.016 273 V CA -0.691 61.561 62.300 -0.081 0.000 0.832 273 V CB 1.251 32.978 31.823 -0.161 0.000 0.999 273 V HN 0.779 nan 8.190 nan 0.000 0.439 274 D N 6.806 127.204 120.400 -0.004 0.000 2.593 274 D HA 0.580 5.221 4.640 0.001 0.000 0.251 274 D C -2.822 173.506 176.300 0.046 0.000 1.140 274 D CA -1.492 52.511 54.000 0.006 0.000 0.855 274 D CB 3.378 44.183 40.800 0.007 0.000 1.267 274 D HN 0.305 nan 8.370 nan 0.000 0.532 275 P HA 0.510 nan 4.420 nan 0.000 0.290 275 P C -1.251 176.101 177.300 0.087 0.000 1.283 275 P CA -0.634 62.475 63.100 0.014 0.000 0.869 275 P CB 1.410 33.096 31.700 -0.023 0.000 1.100 276 F N 2.165 122.009 119.950 -0.178 0.000 2.704 276 F HA 0.270 4.798 4.527 0.001 0.000 0.312 276 F C -2.353 173.281 175.800 -0.278 0.000 1.108 276 F CA -1.552 56.316 58.000 -0.221 0.000 1.005 276 F CB 2.186 41.075 39.000 -0.184 0.000 1.277 276 F HN 0.132 nan 8.300 nan 0.000 0.445 277 P HA 0.091 nan 4.420 nan 0.000 0.256 277 P C -0.886 175.820 177.300 -0.990 0.000 1.384 277 P CA 0.796 62.908 63.100 -1.647 0.000 0.879 277 P CB 0.385 31.366 31.700 -1.200 0.000 1.403 278 D N -0.312 119.676 120.400 -0.686 0.000 2.661 278 D HA 0.202 4.843 4.640 0.001 0.000 0.228 278 D C -2.365 173.794 176.300 -0.234 0.000 1.210 278 D CA -2.092 51.670 54.000 -0.397 0.000 0.826 278 D CB 2.729 43.292 40.800 -0.396 0.000 1.542 278 D HN -0.348 nan 8.370 nan 0.000 0.447 279 P HA -0.078 nan 4.420 nan 0.000 0.220 279 P C 1.034 178.290 177.300 -0.073 0.000 1.144 279 P CA 1.519 64.578 63.100 -0.068 0.000 0.800 279 P CB 0.112 31.796 31.700 -0.027 0.000 0.772 280 T N -4.893 109.606 114.554 -0.092 0.000 3.144 280 T HA 0.260 4.611 4.350 0.001 0.000 0.249 280 T C 0.418 175.018 174.700 -0.167 0.000 1.089 280 T CA 0.043 62.087 62.100 -0.095 0.000 0.989 280 T CB -0.477 68.362 68.868 -0.048 0.000 0.992 280 T HN -0.071 nan 8.240 nan 0.000 0.540 281 L N 0.143 121.245 121.223 -0.202 0.000 2.283 281 L HA 0.695 5.035 4.340 0.001 0.000 0.259 281 L C -0.655 176.131 176.870 -0.140 0.000 1.027 281 L CA -1.082 53.624 54.840 -0.225 0.000 0.828 281 L CB 2.535 44.382 42.059 -0.354 0.000 1.380 281 L HN -0.060 nan 8.230 nan 0.000 0.425 282 T N 0.396 114.893 114.554 -0.095 0.000 2.921 282 T HA 0.334 4.684 4.350 0.001 0.000 0.297 282 T C -1.077 173.525 174.700 -0.163 0.000 1.013 282 T CA -0.521 61.491 62.100 -0.148 0.000 0.990 282 T CB 2.086 70.845 68.868 -0.181 0.000 1.023 282 T HN 0.484 nan 8.240 nan 0.000 0.447 283 Q N 2.262 121.937 119.800 -0.208 0.000 2.282 283 Q HA 0.655 4.995 4.340 0.001 0.000 0.260 283 Q C -1.650 174.172 176.000 -0.298 0.000 0.964 283 Q CA -0.690 55.077 55.803 -0.060 0.000 0.880 283 Q CB 0.833 29.660 28.738 0.149 0.000 1.286 283 Q HN 0.566 nan 8.270 nan 0.000 0.445 284 F N 1.928 121.988 119.950 0.183 0.000 2.507 284 F HA 0.436 4.963 4.527 0.001 0.000 0.325 284 F C -0.212 175.624 175.800 0.060 0.000 1.116 284 F CA -0.668 57.368 58.000 0.060 0.000 0.930 284 F CB 1.918 40.978 39.000 0.099 0.000 1.146 284 F HN 0.422 nan 8.300 nan 0.000 0.447 285 E N 2.932 123.158 120.200 0.043 0.000 2.248 285 E HA 0.288 4.638 4.350 0.001 0.000 0.267 285 E C -1.423 174.968 176.600 -0.349 0.000 0.877 285 E CA -0.803 55.593 56.400 -0.006 0.000 0.759 285 E CB 2.508 32.258 29.700 0.083 0.000 1.182 285 E HN 0.507 nan 8.360 nan 0.000 0.418 286 W N 1.689 122.780 121.300 -0.349 0.000 2.706 286 W HA 0.353 5.013 4.660 0.001 0.000 0.346 286 W C -0.843 175.420 176.519 -0.427 0.000 1.071 286 W CA -0.658 56.504 57.345 -0.306 0.000 1.206 286 W CB 1.624 31.050 29.460 -0.057 0.000 1.413 286 W HN 0.603 nan 8.180 nan 0.000 0.542 287 Y N 1.100 121.728 120.300 0.545 0.000 2.662 287 Y HA 0.258 4.808 4.550 0.001 0.000 0.358 287 Y C 0.144 176.309 175.900 0.441 0.000 1.041 287 Y CA -0.752 57.646 58.100 0.497 0.000 1.184 287 Y CB 0.149 38.770 38.460 0.270 0.000 1.114 287 Y HN -0.148 nan 8.280 nan 0.000 0.650 288 V N 4.022 124.205 119.914 0.449 0.000 2.470 288 V HA 0.206 4.327 4.120 0.001 0.000 0.276 288 V C -2.150 174.021 176.094 0.128 0.000 1.040 288 V CA -2.038 60.384 62.300 0.202 0.000 1.008 288 V CB 0.736 32.625 31.823 0.110 0.000 0.990 288 V HN 0.353 nan 8.190 nan 0.000 0.477 289 P HA 0.236 nan 4.420 nan 0.000 0.267 289 P C 0.473 177.749 177.300 -0.040 0.000 1.205 289 P CA 0.256 63.328 63.100 -0.046 0.000 0.765 289 P CB 0.850 32.328 31.700 -0.369 0.000 0.828 290 I N 1.284 121.900 120.570 0.076 0.000 2.900 290 I HA 0.082 4.252 4.170 0.001 0.000 0.251 290 I C 0.639 176.778 176.117 0.036 0.000 1.102 290 I CA 0.893 62.211 61.300 0.030 0.000 1.457 290 I CB 0.077 38.113 38.000 0.060 0.000 1.285 290 I HN 0.407 nan 8.210 nan 0.000 0.459 291 D N -1.079 119.392 120.400 0.119 0.000 2.812 291 D HA 0.053 4.694 4.640 0.001 0.000 0.318 291 D C 0.356 176.759 176.300 0.172 0.000 1.234 291 D CA -0.497 53.575 54.000 0.119 0.000 0.989 291 D CB 0.079 40.952 40.800 0.122 0.000 1.442 291 D HN -0.044 nan 8.370 nan 0.000 0.537 292 E N -0.352 119.937 120.200 0.148 0.000 2.268 292 E HA -0.009 4.342 4.350 0.001 0.000 0.195 292 E C 1.425 178.102 176.600 0.129 0.000 0.995 292 E CA 1.277 57.763 56.400 0.143 0.000 0.836 292 E CB -0.484 29.278 29.700 0.103 0.000 0.763 292 E HN 0.611 nan 8.360 nan 0.000 0.491 293 G N -0.044 108.835 108.800 0.132 0.000 3.159 293 G HA2 0.112 4.073 3.960 0.001 0.000 0.232 293 G HA3 0.112 4.073 3.960 0.001 0.000 0.232 293 G C -0.297 174.415 174.900 -0.314 0.000 1.116 293 G CA -0.304 44.755 45.100 -0.069 0.000 0.767 293 G HN 0.197 nan 8.290 nan 0.000 0.547 294 H N -0.480 118.675 119.070 0.141 0.000 2.961 294 H HA 0.568 5.125 4.556 0.001 0.000 0.371 294 H C -0.717 174.751 175.328 0.234 0.000 1.190 294 H CA -0.935 55.197 56.048 0.141 0.000 1.138 294 H CB 1.551 31.352 29.762 0.066 0.000 1.816 294 H HN 0.290 nan 8.280 nan 0.000 0.551 295 H N 1.044 120.275 119.070 0.268 0.000 2.928 295 H HA 0.325 4.881 4.556 0.001 0.000 0.371 295 H C -1.333 174.141 175.328 0.243 0.000 1.186 295 H CA -1.066 55.136 56.048 0.258 0.000 1.134 295 H CB 1.726 31.696 29.762 0.347 0.000 1.824 295 H HN 0.445 nan 8.280 nan 0.000 0.554 296 L N 3.349 124.745 121.223 0.288 0.000 2.261 296 L HA 0.180 4.521 4.340 0.001 0.000 0.289 296 L C -1.210 175.885 176.870 0.376 0.000 1.059 296 L CA -0.434 54.519 54.840 0.188 0.000 0.816 296 L CB -0.318 41.769 42.059 0.045 0.000 1.191 296 L HN 0.660 nan 8.230 nan 0.000 0.431 297 Y N 6.676 127.098 120.300 0.204 0.000 2.504 297 Y HA 0.276 4.827 4.550 0.001 0.000 0.351 297 Y C -0.809 175.228 175.900 0.229 0.000 0.988 297 Y CA -0.830 57.440 58.100 0.283 0.000 1.239 297 Y CB 0.559 39.181 38.460 0.270 0.000 1.128 297 Y HN 0.508 nan 8.280 nan 0.000 0.525 298 L N 7.551 128.856 121.223 0.138 0.000 2.265 298 L HA 0.402 4.743 4.340 0.001 0.000 0.289 298 L C -0.941 175.920 176.870 -0.016 0.000 1.033 298 L CA -0.414 54.459 54.840 0.056 0.000 0.814 298 L CB 1.015 43.135 42.059 0.102 0.000 1.203 298 L HN 0.657 nan 8.230 nan 0.000 0.423 299 Q N 5.440 125.186 119.800 -0.090 0.000 2.368 299 Q HA 0.484 4.825 4.340 0.001 0.000 0.263 299 Q C -0.945 175.195 176.000 0.234 0.000 1.009 299 Q CA -0.549 55.266 55.803 0.020 0.000 0.818 299 Q CB 2.245 30.926 28.738 -0.095 0.000 1.239 299 Q HN 0.488 nan 8.270 nan 0.000 0.464 300 M N 3.064 122.886 119.600 0.371 0.000 2.364 300 M HA 0.509 4.990 4.480 0.001 0.000 0.334 300 M C -0.833 175.787 176.300 0.533 0.000 1.107 300 M CA -0.559 55.014 55.300 0.455 0.000 0.988 300 M CB 1.262 34.216 32.600 0.590 0.000 1.673 300 M HN 0.525 nan 8.290 nan 0.000 0.441 301 L N 1.739 123.261 121.223 0.498 0.000 2.333 301 L HA 0.821 5.161 4.340 0.001 0.000 0.280 301 L C 0.339 177.537 176.870 0.546 0.000 1.004 301 L CA -0.645 54.505 54.840 0.517 0.000 0.820 301 L CB 2.112 44.529 42.059 0.598 0.000 1.247 301 L HN 0.859 nan 8.230 nan 0.000 0.416 302 G N 2.426 111.483 108.800 0.428 0.000 2.448 302 G HA2 0.719 4.679 3.960 0.001 0.000 0.324 302 G HA3 0.719 4.679 3.960 0.001 0.000 0.324 302 G C -1.431 173.403 174.900 -0.110 0.000 1.203 302 G CA -0.543 44.705 45.100 0.246 0.000 0.954 302 G HN 0.567 nan 8.290 nan 0.000 0.480 303 R N 1.378 121.652 120.500 -0.375 0.000 2.533 303 R HA 0.352 4.692 4.340 0.001 0.000 0.288 303 R C -0.411 175.726 176.300 -0.271 0.000 1.039 303 R CA -0.822 54.976 56.100 -0.503 0.000 0.909 303 R CB 1.545 31.176 30.300 -1.114 0.000 1.195 303 R HN 0.564 nan 8.270 nan 0.000 0.438 304 R N 2.436 122.838 120.500 -0.163 0.000 2.449 304 R HA 0.206 4.546 4.340 0.001 0.000 0.296 304 R C -0.460 175.786 176.300 -0.089 0.000 1.047 304 R CA -0.030 56.011 56.100 -0.098 0.000 1.018 304 R CB 0.882 31.144 30.300 -0.064 0.000 0.962 304 R HN 0.249 nan 8.270 nan 0.000 0.428 305 V N 1.173 121.051 119.914 -0.060 0.000 2.960 305 V HA 0.509 4.630 4.120 0.001 0.000 0.315 305 V C 0.830 176.914 176.094 -0.017 0.000 1.087 305 V CA -0.492 61.792 62.300 -0.027 0.000 0.982 305 V CB 2.111 33.936 31.823 0.004 0.000 1.039 305 V HN 0.990 nan 8.190 nan 0.000 0.437 306 G N 0.842 109.639 108.800 -0.004 0.000 3.342 306 G HA2 0.488 4.448 3.960 0.001 0.000 0.252 306 G HA3 0.488 4.448 3.960 0.001 0.000 0.252 306 G C 0.051 174.953 174.900 0.003 0.000 1.011 306 G CA 0.695 45.793 45.100 -0.004 0.000 0.869 306 G HN 0.973 nan 8.290 nan 0.000 0.514 307 S N -1.015 114.693 115.700 0.013 0.000 2.552 307 S HA 0.359 4.830 4.470 0.001 0.000 0.272 307 S C 0.213 174.830 174.600 0.028 0.000 1.150 307 S CA -0.344 57.866 58.200 0.017 0.000 0.849 307 S CB 1.965 65.175 63.200 0.017 0.000 1.113 307 S HN -0.082 nan 8.310 nan 0.000 0.458 308 E N 1.093 121.308 120.200 0.025 0.000 2.267 308 E HA -0.167 4.184 4.350 0.001 0.000 0.197 308 E C 1.476 178.102 176.600 0.044 0.000 0.998 308 E CA 2.022 58.442 56.400 0.032 0.000 0.830 308 E CB -0.092 29.621 29.700 0.022 0.000 0.751 308 E HN 0.754 nan 8.360 nan 0.000 0.491 309 E N 0.052 120.276 120.200 0.039 0.000 2.046 309 E HA -0.185 4.166 4.350 0.001 0.000 0.190 309 E C 1.719 178.358 176.600 0.064 0.000 0.982 309 E CA 1.153 57.579 56.400 0.044 0.000 0.800 309 E CB -0.016 29.704 29.700 0.034 0.000 0.756 309 E HN 0.410 nan 8.360 nan 0.000 0.449 310 E N 0.390 120.630 120.200 0.067 0.000 2.072 310 E HA -0.153 4.198 4.350 0.001 0.000 0.191 310 E C 2.110 178.798 176.600 0.145 0.000 0.985 310 E CA 0.751 57.206 56.400 0.092 0.000 0.801 310 E CB -0.134 29.604 29.700 0.064 0.000 0.750 310 E HN 0.321 nan 8.360 nan 0.000 0.452 311 A N 1.904 124.802 122.820 0.130 0.000 1.883 311 A HA -0.253 4.067 4.320 0.001 0.000 0.217 311 A C 2.160 179.865 177.584 0.201 0.000 1.186 311 A CA 1.889 54.036 52.037 0.184 0.000 0.624 311 A CB -0.566 18.504 19.000 0.117 0.000 0.822 311 A HN 0.103 nan 8.150 nan 0.000 0.444 312 R N -0.579 119.996 120.500 0.125 0.000 2.120 312 R HA -0.100 4.240 4.340 0.001 0.000 0.234 312 R C 2.431 178.789 176.300 0.096 0.000 1.123 312 R CA 1.639 57.793 56.100 0.090 0.000 0.975 312 R CB -0.302 30.032 30.300 0.056 0.000 0.866 312 R HN 0.524 nan 8.270 nan 0.000 0.446 313 S N -0.250 115.528 115.700 0.130 0.000 2.338 313 S HA -0.172 4.299 4.470 0.001 0.000 0.218 313 S C 1.652 176.383 174.600 0.217 0.000 1.032 313 S CA 1.184 59.469 58.200 0.142 0.000 0.999 313 S CB -0.505 62.780 63.200 0.141 0.000 0.905 313 S HN 0.467 nan 8.310 nan 0.000 0.439 314 F N 3.141 123.168 119.950 0.129 0.000 2.091 314 F HA -0.096 4.431 4.527 0.001 0.000 0.299 314 F C 2.453 178.366 175.800 0.188 0.000 1.103 314 F CA 2.241 60.360 58.000 0.197 0.000 1.228 314 F CB -0.956 38.169 39.000 0.209 0.000 0.984 314 F HN 0.273 nan 8.300 nan 0.000 0.477 315 E N 0.810 120.962 120.200 -0.080 0.000 2.097 315 E HA -0.250 4.100 4.350 0.001 0.000 0.196 315 E C 2.226 178.684 176.600 -0.236 0.000 1.000 315 E CA 1.532 57.670 56.400 -0.436 0.000 0.804 315 E CB -0.589 28.974 29.700 -0.229 0.000 0.740 315 E HN 0.475 nan 8.360 nan 0.000 0.454 316 A N 0.896 123.672 122.820 -0.074 0.000 1.898 316 A HA -0.166 4.155 4.320 0.001 0.000 0.216 316 A C 2.158 179.721 177.584 -0.035 0.000 1.181 316 A CA 1.616 53.627 52.037 -0.043 0.000 0.620 316 A CB -0.522 18.470 19.000 -0.012 0.000 0.819 316 A HN 0.396 nan 8.150 nan 0.000 0.442 317 E N -1.286 118.930 120.200 0.025 0.000 2.106 317 E HA -0.188 4.163 4.350 0.001 0.000 0.192 317 E C 1.717 178.323 176.600 0.010 0.000 0.984 317 E CA 1.157 57.566 56.400 0.015 0.000 0.806 317 E CB -0.242 29.591 29.700 0.223 0.000 0.750 317 E HN 0.596 nan 8.360 nan 0.000 0.458 318 F N 1.544 121.450 119.950 -0.073 0.000 2.069 318 F HA -0.168 4.359 4.527 0.001 0.000 0.298 318 F C 2.286 178.044 175.800 -0.071 0.000 1.113 318 F CA 1.769 59.743 58.000 -0.042 0.000 1.214 318 F CB -0.092 38.640 39.000 -0.447 0.000 0.978 318 F HN -0.126 nan 8.300 nan 0.000 0.474 319 R N 0.182 120.639 120.500 -0.072 0.000 2.066 319 R HA -0.120 4.221 4.340 0.001 0.000 0.232 319 R C 2.036 178.229 176.300 -0.179 0.000 1.131 319 R CA 1.888 57.904 56.100 -0.141 0.000 0.955 319 R CB -0.493 29.782 30.300 -0.041 0.000 0.851 319 R HN 0.442 nan 8.270 nan 0.000 0.432 320 E N -0.327 119.779 120.200 -0.157 0.000 2.435 320 E HA -0.062 4.288 4.350 0.001 0.000 0.195 320 E C 1.498 177.963 176.600 -0.226 0.000 1.029 320 E CA 0.576 56.879 56.400 -0.162 0.000 0.865 320 E CB 0.402 30.025 29.700 -0.128 0.000 0.833 320 E HN 0.210 nan 8.360 nan 0.000 0.510 321 K N -0.273 119.934 120.400 -0.322 0.000 2.642 321 K HA 0.035 4.355 4.320 0.001 0.000 0.214 321 K C 1.230 177.587 176.600 -0.405 0.000 1.451 321 K CA -0.156 55.851 56.287 -0.466 0.000 0.917 321 K CB -0.293 31.735 32.500 -0.787 0.000 1.779 321 K HN 0.001 nan 8.250 nan 0.000 0.447 322 W N 1.700 122.916 121.300 -0.140 0.000 2.342 322 W HA -0.185 4.475 4.660 0.001 0.000 0.297 322 W C 1.949 178.325 176.519 -0.238 0.000 1.213 322 W CA 0.416 57.672 57.345 -0.148 0.000 1.251 322 W CB -0.331 29.095 29.460 -0.057 0.000 1.136 322 W HN -0.052 nan 8.180 nan 0.000 0.526 323 V N 0.705 120.469 119.914 -0.249 0.000 2.231 323 V HA -0.309 3.811 4.120 0.001 0.000 0.248 323 V C 2.288 178.332 176.094 -0.083 0.000 1.054 323 V CA 2.064 64.191 62.300 -0.289 0.000 1.015 323 V CB -0.761 30.803 31.823 -0.431 0.000 0.638 323 V HN 0.110 nan 8.190 nan 0.000 0.444 324 E N -0.584 119.566 120.200 -0.083 0.000 2.216 324 E HA -0.064 4.286 4.350 0.001 0.000 0.192 324 E C 2.069 178.684 176.600 0.024 0.000 0.988 324 E CA 0.700 57.084 56.400 -0.026 0.000 0.834 324 E CB -0.154 29.516 29.700 -0.050 0.000 0.772 324 E HN 0.517 nan 8.360 nan 0.000 0.479 325 L N -0.346 120.892 121.223 0.026 0.000 2.095 325 L HA -0.045 4.295 4.340 0.001 0.000 0.204 325 L C 1.944 178.920 176.870 0.177 0.000 1.080 325 L CA 1.238 56.123 54.840 0.075 0.000 0.759 325 L CB -0.037 42.032 42.059 0.017 0.000 0.914 325 L HN 0.065 nan 8.230 nan 0.000 0.439 326 A N -0.867 122.093 122.820 0.232 0.000 2.042 326 A HA 0.107 4.427 4.320 0.001 0.000 0.207 326 A C 1.902 179.672 177.584 0.310 0.000 1.598 326 A CA -0.085 52.112 52.037 0.268 0.000 0.818 326 A CB -0.575 18.542 19.000 0.196 0.000 1.169 326 A HN 0.220 nan 8.150 nan 0.000 0.548 327 L N 0.433 121.800 121.223 0.241 0.000 2.089 327 L HA -0.262 4.079 4.340 0.001 0.000 0.213 327 L C 1.951 178.960 176.870 0.231 0.000 1.079 327 L CA 1.681 56.658 54.840 0.228 0.000 0.758 327 L CB -0.649 41.488 42.059 0.130 0.000 0.891 327 L HN 0.447 nan 8.230 nan 0.000 0.433 328 N N -0.510 118.298 118.700 0.180 0.000 2.571 328 N HA 0.008 4.749 4.740 0.001 0.000 0.195 328 N C 1.860 177.478 175.510 0.181 0.000 1.040 328 N CA 1.139 54.286 53.050 0.163 0.000 0.890 328 N CB -0.569 37.975 38.487 0.095 0.000 1.233 328 N HN 0.176 nan 8.380 nan 0.000 0.435 329 G N -0.247 108.659 108.800 0.176 0.000 2.448 329 G HA2 -0.206 3.754 3.960 0.001 0.000 0.219 329 G HA3 -0.206 3.754 3.960 0.001 0.000 0.219 329 G C 1.204 176.258 174.900 0.257 0.000 1.127 329 G CA 0.460 45.667 45.100 0.178 0.000 0.766 329 G HN 0.264 nan 8.290 nan 0.000 0.552 330 F N 0.704 120.746 119.950 0.154 0.000 2.399 330 F HA 0.259 4.786 4.527 0.001 0.000 0.282 330 F C 2.250 178.198 175.800 0.246 0.000 1.027 330 F CA 0.616 58.713 58.000 0.161 0.000 1.333 330 F CB -0.028 39.060 39.000 0.147 0.000 1.132 330 F HN 0.090 nan 8.300 nan 0.000 0.590 331 N N 0.210 119.167 118.700 0.428 0.000 2.459 331 N HA -0.133 4.607 4.740 0.001 0.000 0.181 331 N C 0.866 176.560 175.510 0.307 0.000 1.046 331 N CA 0.805 54.103 53.050 0.414 0.000 0.904 331 N CB -0.099 38.717 38.487 0.548 0.000 0.964 331 N HN 0.176 nan 8.380 nan 0.000 0.444 332 D N 0.989 121.531 120.400 0.236 0.000 2.182 332 D HA -0.146 4.494 4.640 0.001 0.000 0.201 332 D C 1.136 177.496 176.300 0.100 0.000 0.986 332 D CA 1.011 55.110 54.000 0.165 0.000 0.847 332 D CB -0.161 40.714 40.800 0.125 0.000 0.942 332 D HN 0.232 nan 8.370 nan 0.000 0.467 333 D N 0.284 120.726 120.400 0.071 0.000 2.264 333 D HA -0.096 4.544 4.640 0.001 0.000 0.208 333 D C 1.281 177.546 176.300 -0.058 0.000 0.966 333 D CA 0.549 54.531 54.000 -0.030 0.000 0.864 333 D CB -0.042 40.679 40.800 -0.131 0.000 0.933 333 D HN 0.259 nan 8.370 nan 0.000 0.499 334 D N 0.475 120.890 120.400 0.025 0.000 2.224 334 D HA -0.080 4.560 4.640 0.001 0.000 0.205 334 D C 2.172 178.448 176.300 -0.040 0.000 0.965 334 D CA 0.159 54.154 54.000 -0.008 0.000 0.852 334 D CB 0.251 41.102 40.800 0.085 0.000 0.947 334 D HN 0.188 nan 8.370 nan 0.000 0.494 335 I N 1.227 121.796 120.570 -0.001 0.000 2.226 335 I HA -0.214 3.957 4.170 0.001 0.000 0.245 335 I C 2.578 178.685 176.117 -0.016 0.000 1.100 335 I CA 0.677 61.975 61.300 -0.003 0.000 1.374 335 I CB -1.185 36.840 38.000 0.042 0.000 1.057 335 I HN 0.100 nan 8.210 nan 0.000 0.413 336 L N 0.827 122.038 121.223 -0.021 0.000 2.042 336 L HA -0.222 4.118 4.340 0.001 0.000 0.210 336 L C 2.709 179.553 176.870 -0.044 0.000 1.076 336 L CA 1.746 56.569 54.840 -0.029 0.000 0.749 336 L CB -0.301 41.738 42.059 -0.034 0.000 0.893 336 L HN 0.224 nan 8.230 nan 0.000 0.432 337 A N 0.144 122.926 122.820 -0.063 0.000 1.883 337 A HA -0.255 4.066 4.320 0.001 0.000 0.217 337 A C 2.245 179.784 177.584 -0.075 0.000 1.186 337 A CA 1.785 53.775 52.037 -0.078 0.000 0.624 337 A CB -0.515 18.418 19.000 -0.112 0.000 0.822 337 A HN 0.461 nan 8.150 nan 0.000 0.444 338 R N -0.812 119.644 120.500 -0.074 0.000 2.066 338 R HA -0.079 4.262 4.340 0.001 0.000 0.232 338 R C 2.466 178.750 176.300 -0.027 0.000 1.131 338 R CA 1.562 57.626 56.100 -0.061 0.000 0.955 338 R CB -0.315 29.973 30.300 -0.020 0.000 0.851 338 R HN 0.492 nan 8.270 nan 0.000 0.432 339 R N -0.187 120.303 120.500 -0.017 0.000 2.096 339 R HA -0.047 4.293 4.340 0.001 0.000 0.235 339 R C 2.443 178.734 176.300 -0.015 0.000 1.127 339 R CA 1.372 57.465 56.100 -0.012 0.000 0.968 339 R CB -0.265 30.029 30.300 -0.011 0.000 0.861 339 R HN 0.075 nan 8.270 nan 0.000 0.440 340 S N 0.127 115.813 115.700 -0.024 0.000 2.406 340 S HA 0.025 4.495 4.470 0.001 0.000 0.228 340 S C 1.830 176.423 174.600 -0.012 0.000 1.020 340 S CA 0.824 59.007 58.200 -0.029 0.000 0.965 340 S CB 0.113 63.285 63.200 -0.046 0.000 0.798 340 S HN 0.201 nan 8.310 nan 0.000 0.488 341 M N 0.544 120.150 119.600 0.011 0.000 2.288 341 M HA -0.009 4.472 4.480 0.001 0.000 0.266 341 M C 2.021 178.422 176.300 0.168 0.000 1.072 341 M CA 1.005 56.370 55.300 0.109 0.000 1.132 341 M CB -0.373 32.280 32.600 0.087 0.000 1.386 341 M HN 0.239 nan 8.290 nan 0.000 0.432 342 E N 1.721 121.959 120.200 0.063 0.000 2.082 342 E HA -0.220 4.131 4.350 0.001 0.000 0.215 342 E C -0.853 175.779 176.600 0.053 0.000 1.048 342 E CA 2.550 58.975 56.400 0.042 0.000 0.869 342 E CB -1.450 28.251 29.700 0.001 0.000 0.773 342 E HN 0.270 nan 8.360 nan 0.000 0.466 343 P HA -0.148 nan 4.420 nan 0.000 0.218 343 P C 1.465 178.783 177.300 0.029 0.000 1.149 343 P CA 1.177 64.292 63.100 0.025 0.000 0.817 343 P CB -0.277 31.433 31.700 0.017 0.000 0.785 344 F N -0.018 119.835 119.950 -0.162 0.000 2.171 344 F HA -0.135 4.392 4.527 0.000 0.000 0.300 344 F C 1.822 177.299 175.800 -0.540 0.000 1.090 344 F CA 1.334 59.127 58.000 -0.345 0.000 1.293 344 F CB -0.745 38.002 39.000 -0.422 0.000 1.013 344 F HN -0.190 nan 8.300 nan 0.000 0.486 345 Y N -1.084 119.036 120.300 -0.301 0.000 2.458 345 Y HA 0.360 4.910 4.550 0.001 0.000 0.254 345 Y C 2.230 177.961 175.900 -0.282 0.000 1.120 345 Y CA 0.368 58.134 58.100 -0.558 0.000 1.282 345 Y CB -0.790 37.212 38.460 -0.764 0.000 1.109 345 Y HN 0.054 nan 8.280 nan 0.000 0.526 346 A N 0.738 123.537 122.820 -0.035 0.000 1.940 346 A HA -0.230 4.090 4.320 0.001 0.000 0.219 346 A C 1.355 178.943 177.584 0.007 0.000 1.176 346 A CA 2.199 54.239 52.037 0.005 0.000 0.631 346 A CB -0.655 18.344 19.000 -0.001 0.000 0.814 346 A HN 0.504 nan 8.150 nan 0.000 0.446 347 D N -2.427 117.947 120.400 -0.045 0.000 2.388 347 D HA 0.179 4.820 4.640 0.001 0.000 0.221 347 D C -0.139 176.150 176.300 -0.017 0.000 1.133 347 D CA 0.406 54.390 54.000 -0.026 0.000 0.831 347 D CB -0.102 40.670 40.800 -0.047 0.000 0.962 347 D HN 0.350 nan 8.370 nan 0.000 0.502 348 D N -0.237 120.173 120.400 0.016 0.000 2.946 348 D HA -0.201 4.440 4.640 0.001 0.000 0.202 348 D C 1.368 177.653 176.300 -0.024 0.000 1.068 348 D CA 0.618 54.715 54.000 0.161 0.000 1.011 348 D CB -0.663 40.259 40.800 0.202 0.000 1.105 348 D HN 0.279 nan 8.370 nan 0.000 0.425 349 R N 0.590 120.940 120.500 -0.250 0.000 2.092 349 R HA 0.037 4.377 4.340 0.001 0.000 0.231 349 R C 2.522 178.406 176.300 -0.692 0.000 1.119 349 R CA 1.539 57.425 56.100 -0.356 0.000 0.970 349 R CB -1.027 29.069 30.300 -0.340 0.000 0.864 349 R HN 0.415 nan 8.270 nan 0.000 0.440 350 G N 0.118 108.136 108.800 -1.304 0.000 2.440 350 G HA2 -0.253 3.707 3.960 0.001 0.000 0.218 350 G HA3 -0.253 3.707 3.960 0.001 0.000 0.218 350 G C 1.124 175.477 174.900 -0.912 0.000 1.154 350 G CA 0.637 44.437 45.100 -2.168 0.000 0.767 350 G HN 0.408 nan 8.290 nan 0.000 0.552 351 W N 0.488 121.725 121.300 -0.106 0.000 2.387 351 W HA 0.022 4.682 4.660 0.001 0.000 0.272 351 W C 2.600 179.236 176.519 0.195 0.000 1.224 351 W CA 0.461 57.987 57.345 0.301 0.000 1.210 351 W CB 0.052 29.749 29.460 0.395 0.000 1.125 351 W HN 0.053 nan 8.180 nan 0.000 0.572 352 R N -0.209 120.385 120.500 0.157 0.000 2.195 352 R HA 0.091 4.432 4.340 0.001 0.000 0.197 352 R C 1.491 177.818 176.300 0.046 0.000 0.990 352 R CA 0.693 56.849 56.100 0.094 0.000 1.048 352 R CB -0.585 29.731 30.300 0.027 0.000 0.997 352 R HN 0.325 nan 8.270 nan 0.000 0.502 353 E N 1.530 121.693 120.200 -0.062 0.000 2.400 353 E HA -0.029 4.322 4.350 0.001 0.000 0.195 353 E C -0.083 176.627 176.600 0.184 0.000 1.012 353 E CA -0.097 56.319 56.400 0.026 0.000 0.875 353 E CB 0.267 29.961 29.700 -0.010 0.000 0.859 353 E HN 0.449 nan 8.360 nan 0.000 0.498 354 E N 0.934 121.258 120.200 0.207 0.000 2.437 354 E HA 0.049 4.399 4.350 0.001 0.000 0.263 354 E C -0.442 176.274 176.600 0.194 0.000 1.030 354 E CA 0.062 56.648 56.400 0.311 0.000 0.934 354 E CB 0.953 30.874 29.700 0.368 0.000 0.943 354 E HN -0.218 nan 8.360 nan 0.000 0.444 355 V N 4.748 124.737 119.914 0.124 0.000 2.284 355 V HA 0.190 4.311 4.120 0.001 0.000 0.274 355 V C 0.106 176.244 176.094 0.074 0.000 1.023 355 V CA -0.564 61.785 62.300 0.081 0.000 0.808 355 V CB 0.243 32.077 31.823 0.019 0.000 1.035 355 V HN 0.569 nan 8.190 nan 0.000 0.445 356 L N 5.063 126.374 121.223 0.146 0.000 2.439 356 L HA 0.599 4.940 4.340 0.001 0.000 0.261 356 L C 0.099 177.140 176.870 0.286 0.000 1.153 356 L CA -0.224 54.739 54.840 0.205 0.000 0.808 356 L CB 0.730 42.920 42.059 0.219 0.000 1.126 356 L HN 0.632 nan 8.230 nan 0.000 0.460 357 F N -1.150 118.820 119.950 0.034 0.000 2.764 357 F HA 0.523 5.051 4.527 0.001 0.000 0.347 357 F C 0.992 176.804 175.800 0.020 0.000 1.151 357 F CA -1.743 56.271 58.000 0.023 0.000 1.021 357 F CB 0.128 39.132 39.000 0.007 0.000 1.438 357 F HN 0.340 nan 8.300 nan 0.000 0.516 358 E N 0.818 120.930 120.200 -0.146 0.000 2.113 358 E HA -0.205 4.146 4.350 0.001 0.000 0.210 358 E C 2.020 178.436 176.600 -0.307 0.000 1.040 358 E CA 3.261 59.521 56.400 -0.234 0.000 0.847 358 E CB -0.672 28.894 29.700 -0.224 0.000 0.755 358 E HN 0.648 nan 8.360 nan 0.000 0.459 359 S N 0.335 115.686 115.700 -0.581 0.000 2.547 359 S HA -0.090 4.380 4.470 0.001 0.000 0.235 359 S C 0.883 175.372 174.600 -0.185 0.000 0.980 359 S CA 0.828 58.812 58.200 -0.359 0.000 0.941 359 S CB -0.000 62.975 63.200 -0.374 0.000 0.763 359 S HN 0.114 nan 8.310 nan 0.000 0.532 360 D N 1.325 121.672 120.400 -0.089 0.000 2.349 360 D HA 0.087 4.728 4.640 0.001 0.000 0.224 360 D C 1.800 178.094 176.300 -0.011 0.000 1.029 360 D CA 0.126 54.137 54.000 0.018 0.000 0.879 360 D CB -0.054 40.836 40.800 0.150 0.000 0.906 360 D HN 0.295 nan 8.370 nan 0.000 0.528 361 R N 1.847 122.320 120.500 -0.045 0.000 2.096 361 R HA -0.084 4.256 4.340 0.001 0.000 0.235 361 R C 1.878 178.163 176.300 -0.024 0.000 1.127 361 R CA 1.661 57.745 56.100 -0.028 0.000 0.968 361 R CB -0.726 29.547 30.300 -0.045 0.000 0.861 361 R HN 0.052 nan 8.270 nan 0.000 0.440 362 A N 0.378 123.154 122.820 -0.073 0.000 1.877 362 A HA -0.135 4.186 4.320 0.001 0.000 0.216 362 A C 2.172 179.848 177.584 0.154 0.000 1.186 362 A CA 1.621 53.635 52.037 -0.038 0.000 0.620 362 A CB -0.698 18.069 19.000 -0.389 0.000 0.822 362 A HN 0.382 nan 8.150 nan 0.000 0.443 363 I N -0.004 120.603 120.570 0.062 0.000 2.286 363 I HA -0.185 3.986 4.170 0.001 0.000 0.248 363 I C 2.113 178.246 176.117 0.027 0.000 1.115 363 I CA 1.051 62.453 61.300 0.170 0.000 1.392 363 I CB -0.214 37.824 38.000 0.062 0.000 1.065 363 I HN 0.378 nan 8.210 nan 0.000 0.418 364 I N 0.175 120.705 120.570 -0.066 0.000 2.286 364 I HA -0.243 3.927 4.170 0.001 0.000 0.248 364 I C 2.249 178.274 176.117 -0.152 0.000 1.115 364 I CA 1.029 62.212 61.300 -0.196 0.000 1.392 364 I CB -0.491 37.480 38.000 -0.049 0.000 1.065 364 I HN 0.211 nan 8.210 nan 0.000 0.418 365 E N 0.252 120.443 120.200 -0.015 0.000 2.106 365 E HA -0.240 4.110 4.350 0.001 0.000 0.192 365 E C 1.734 178.318 176.600 -0.027 0.000 0.984 365 E CA 1.113 57.516 56.400 0.005 0.000 0.806 365 E CB -0.411 29.326 29.700 0.062 0.000 0.750 365 E HN 0.678 nan 8.360 nan 0.000 0.458 366 W N 2.102 123.306 121.300 -0.160 0.000 2.379 366 W HA -0.157 4.503 4.660 0.001 0.000 0.307 366 W C 1.720 178.011 176.519 -0.381 0.000 1.200 366 W CA 1.045 58.224 57.345 -0.277 0.000 1.297 366 W CB -0.245 29.044 29.460 -0.285 0.000 1.140 366 W HN -0.015 nan 8.180 nan 0.000 0.507 367 R N 0.273 120.224 120.500 -0.916 0.000 2.091 367 R HA -0.153 4.188 4.340 0.001 0.000 0.238 367 R C 2.497 178.381 176.300 -0.694 0.000 1.136 367 R CA 2.032 57.354 56.100 -1.297 0.000 0.959 367 R CB -0.441 29.024 30.300 -1.392 0.000 0.856 367 R HN 0.209 nan 8.270 nan 0.000 0.437 368 R N 0.492 120.768 120.500 -0.373 0.000 2.066 368 R HA -0.084 4.257 4.340 0.001 0.000 0.232 368 R C 2.447 178.645 176.300 -0.169 0.000 1.131 368 R CA 1.127 57.157 56.100 -0.115 0.000 0.955 368 R CB -0.464 29.835 30.300 -0.002 0.000 0.851 368 R HN 0.197 nan 8.270 nan 0.000 0.432 369 L N 0.570 121.677 121.223 -0.194 0.000 2.017 369 L HA -0.138 4.202 4.340 0.001 0.000 0.208 369 L C 2.421 179.172 176.870 -0.199 0.000 1.073 369 L CA 1.613 56.410 54.840 -0.071 0.000 0.745 369 L CB -0.367 41.656 42.059 -0.061 0.000 0.894 369 L HN 0.208 nan 8.230 nan 0.000 0.432 370 A N -0.939 121.521 122.820 -0.599 0.000 1.908 370 A HA -0.217 4.104 4.320 0.001 0.000 0.218 370 A C 2.370 179.687 177.584 -0.446 0.000 1.181 370 A CA 2.136 53.753 52.037 -0.699 0.000 0.627 370 A CB -0.895 17.347 19.000 -1.264 0.000 0.818 370 A HN 0.538 nan 8.150 nan 0.000 0.445 371 S N -0.887 114.635 115.700 -0.297 0.000 2.368 371 S HA -0.211 4.259 4.470 0.001 0.000 0.225 371 S C 2.145 176.627 174.600 -0.196 0.000 1.030 371 S CA 1.589 59.711 58.200 -0.130 0.000 0.999 371 S CB -0.258 62.926 63.200 -0.025 0.000 0.844 371 S HN 0.772 nan 8.310 nan 0.000 0.459 372 Q N -0.686 118.955 119.800 -0.265 0.000 2.163 372 Q HA -0.016 4.324 4.340 0.001 0.000 0.198 372 Q C 0.935 176.591 176.000 -0.572 0.000 0.954 372 Q CA 1.087 56.630 55.803 -0.434 0.000 0.851 372 Q CB -0.021 28.367 28.738 -0.584 0.000 0.928 372 Q HN 0.627 nan 8.270 nan 0.000 0.459 373 Y N 0.757 120.955 120.300 -0.169 0.000 2.458 373 Y HA 0.146 4.697 4.550 0.001 0.000 0.256 373 Y C 0.033 175.840 175.900 -0.155 0.000 1.159 373 Y CA -0.436 57.584 58.100 -0.134 0.000 1.261 373 Y CB -0.019 38.384 38.460 -0.095 0.000 1.119 373 Y HN 0.282 nan 8.280 nan 0.000 0.524 374 N N 0.630 119.192 118.700 -0.230 0.000 2.416 374 N HA -0.012 4.729 4.740 0.001 0.000 0.246 374 N C 0.246 175.746 175.510 -0.018 0.000 1.260 374 N CA -0.177 52.689 53.050 -0.306 0.000 0.897 374 N CB 0.528 38.270 38.487 -1.240 0.000 1.110 374 N HN 0.100 nan 8.380 nan 0.000 0.439 375 R N 0.580 121.189 120.500 0.181 0.000 2.423 375 R HA 0.296 4.636 4.340 0.001 0.000 0.248 375 R C -0.027 176.307 176.300 0.056 0.000 1.019 375 R CA -0.028 56.080 56.100 0.013 0.000 1.119 375 R CB -0.312 29.865 30.300 -0.205 0.000 1.176 375 R HN 0.817 nan 8.270 nan 0.000 0.526 376 G N 0.543 109.412 108.800 0.116 0.000 2.307 376 G HA2 0.016 3.977 3.960 0.001 0.000 0.348 376 G HA3 0.016 3.977 3.960 0.001 0.000 0.348 376 G C -1.388 173.673 174.900 0.268 0.000 1.603 376 G CA -1.079 44.108 45.100 0.145 0.000 0.961 376 G HN -0.037 nan 8.290 nan 0.000 0.686 377 I N 1.641 122.343 120.570 0.220 0.000 2.304 377 I HA 0.309 4.480 4.170 0.001 0.000 0.291 377 I C 0.741 176.950 176.117 0.153 0.000 1.018 377 I CA -0.734 60.716 61.300 0.250 0.000 1.260 377 I CB 1.101 39.213 38.000 0.186 0.000 1.390 377 I HN 0.700 nan 8.210 nan 0.000 0.475 378 Q N 5.718 125.595 119.800 0.129 0.000 2.311 378 Q HA 0.290 4.630 4.340 0.001 0.000 0.272 378 Q C -0.184 175.846 176.000 0.049 0.000 1.012 378 Q CA 0.228 56.068 55.803 0.062 0.000 0.891 378 Q CB 0.724 29.465 28.738 0.004 0.000 1.201 378 Q HN 0.833 nan 8.270 nan 0.000 0.391 379 T N 1.471 116.050 114.554 0.041 0.000 2.887 379 T HA 0.681 5.032 4.350 0.001 0.000 0.292 379 T C -0.238 174.479 174.700 0.030 0.000 1.087 379 T CA -1.210 60.913 62.100 0.038 0.000 1.009 379 T CB 1.211 70.103 68.868 0.039 0.000 1.203 379 T HN 0.459 nan 8.240 nan 0.000 0.518 380 R N 0.000 120.518 120.500 0.029 0.000 2.786 380 R HA 0.000 4.340 4.340 0.001 0.000 0.208 380 R CA 0.000 56.116 56.100 0.026 0.000 0.921 380 R CB 0.000 30.316 30.300 0.027 0.000 0.687 380 R HN 0.000 nan 8.270 nan 0.000 0.535