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 1yms_1_B DATA FIRST_RESID 27 DATA SEQUENCE SAVQQKLAAL EKSSGGRLGV ALIDTADNTQ VXLYRGDERF PMCSTSKVMA DATA SEQUENCE AAAVLKQSET QKQLLNQPVE IKPADLVNYN PIAEKHVNGT MTLAELSAAA DATA SEQUENCE LQYSDNTAMN KLIAQLGGPG GVTAFARAIG DETFRLDRTE PTLNTAIPGD DATA SEQUENCE PRDTTTPRAM AQTLRQLTLG HALGETQRAQ LVTWLKGNTT GAASIRAGLP DATA SEQUENCE TSWTAGDKTG SGXDYGTTND IAVIWPXQGR APLVLVTYFT QPQQNAESRR DATA SEQUENCE DVLASAARII AEGL 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.611 174.600 0.019 0.000 1.055 27 S CA 0.000 58.214 58.200 0.023 0.000 1.107 27 S CB 0.000 63.210 63.200 0.016 0.000 0.593 28 A N 0.796 123.622 122.820 0.010 0.000 2.015 28 A HA 0.238 4.558 4.320 -0.000 0.000 0.219 28 A C 2.219 179.800 177.584 -0.005 0.000 1.163 28 A CA 1.767 53.806 52.037 0.003 0.000 0.646 28 A CB -1.115 17.885 19.000 0.000 0.000 0.806 28 A HN 1.322 nan 8.150 nan 0.000 0.448 29 V N -0.259 119.654 119.914 -0.002 0.000 2.407 29 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 29 V C 2.409 178.490 176.094 -0.022 0.000 1.055 29 V CA 2.553 64.845 62.300 -0.013 0.000 1.049 29 V CB -0.549 31.273 31.823 -0.002 0.000 0.662 29 V HN 0.588 nan 8.190 nan 0.000 0.455 30 Q N 0.327 120.134 119.800 0.010 0.000 2.050 30 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 30 Q C 2.319 178.318 176.000 -0.002 0.000 0.980 30 Q CA 2.561 58.387 55.803 0.038 0.000 0.840 30 Q CB -0.548 28.242 28.738 0.086 0.000 0.898 30 Q HN 0.964 nan 8.270 nan 0.000 0.424 31 Q N 0.087 119.886 119.800 -0.001 0.000 2.167 31 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 31 Q C 1.779 177.748 176.000 -0.051 0.000 0.970 31 Q CA 0.959 56.756 55.803 -0.009 0.000 0.855 31 Q CB -0.259 28.480 28.738 0.002 0.000 0.911 31 Q HN 0.228 nan 8.270 nan 0.000 0.438 32 K N 0.875 121.237 120.400 -0.065 0.000 2.057 32 K HA -0.021 4.299 4.320 -0.000 0.000 0.206 32 K C 2.139 178.651 176.600 -0.147 0.000 1.050 32 K CA 1.038 57.274 56.287 -0.085 0.000 0.935 32 K CB -0.056 32.402 32.500 -0.070 0.000 0.715 32 K HN 0.193 nan 8.250 nan 0.000 0.439 33 L N 0.452 121.541 121.223 -0.223 0.000 2.093 33 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 33 L C 2.580 179.133 176.870 -0.529 0.000 1.085 33 L CA 0.950 55.546 54.840 -0.406 0.000 0.755 33 L CB -0.540 41.186 42.059 -0.554 0.000 0.904 33 L HN 0.185 nan 8.230 nan 0.000 0.435 34 A N 0.095 122.658 122.820 -0.428 0.000 1.933 34 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 34 A C 2.518 180.057 177.584 -0.075 0.000 1.175 34 A CA 1.669 53.592 52.037 -0.190 0.000 0.628 34 A CB -0.600 18.425 19.000 0.042 0.000 0.814 34 A HN 0.394 nan 8.150 nan 0.000 0.444 35 A N -0.260 122.513 122.820 -0.078 0.000 1.930 35 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 35 A C 2.193 179.747 177.584 -0.049 0.000 1.175 35 A CA 1.374 53.386 52.037 -0.042 0.000 0.627 35 A CB -0.577 18.398 19.000 -0.040 0.000 0.815 35 A HN 0.645 nan 8.150 nan 0.000 0.443 36 L N -0.439 120.729 121.223 -0.092 0.000 2.017 36 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 36 L C 2.492 179.329 176.870 -0.055 0.000 1.073 36 L CA 2.506 57.290 54.840 -0.093 0.000 0.745 36 L CB -0.451 41.525 42.059 -0.138 0.000 0.894 36 L HN 0.650 nan 8.230 nan 0.000 0.432 37 E N 0.259 120.435 120.200 -0.040 0.000 2.058 37 E HA -0.347 4.003 4.350 -0.000 0.000 0.194 37 E C 2.251 178.925 176.600 0.122 0.000 0.997 37 E CA 1.877 58.333 56.400 0.094 0.000 0.801 37 E CB -0.112 29.687 29.700 0.165 0.000 0.746 37 E HN 0.438 nan 8.360 nan 0.000 0.450 38 K N 0.063 120.510 120.400 0.079 0.000 2.057 38 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 38 K C 2.319 178.958 176.600 0.065 0.000 1.049 38 K CA 1.450 57.783 56.287 0.077 0.000 0.931 38 K CB -0.245 32.288 32.500 0.054 0.000 0.714 38 K HN 0.020 nan 8.250 nan 0.000 0.440 39 S N 0.070 115.793 115.700 0.038 0.000 2.423 39 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 39 S C 1.834 176.462 174.600 0.046 0.000 1.014 39 S CA 1.693 59.908 58.200 0.026 0.000 0.965 39 S CB -0.265 62.933 63.200 -0.003 0.000 0.785 39 S HN 0.534 nan 8.310 nan 0.000 0.495 40 S N -0.325 115.417 115.700 0.071 0.000 2.461 40 S HA 0.269 4.739 4.470 -0.000 0.000 0.228 40 S C 1.769 176.512 174.600 0.239 0.000 1.005 40 S CA 1.178 59.459 58.200 0.136 0.000 0.942 40 S CB -0.624 62.643 63.200 0.112 0.000 0.776 40 S HN 1.258 nan 8.310 nan 0.000 0.514 41 G N 0.226 109.141 108.800 0.191 0.000 2.179 41 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.260 41 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.260 41 G C 0.490 175.484 174.900 0.158 0.000 0.977 41 G CA 0.258 45.450 45.100 0.153 0.000 0.641 41 G HN 1.136 nan 8.290 nan 0.000 0.533 42 G N -0.974 107.986 108.800 0.267 0.000 2.990 42 G HA2 0.675 4.635 3.960 -0.000 0.000 0.208 42 G HA3 0.675 4.635 3.960 -0.000 0.000 0.208 42 G C -0.304 174.684 174.900 0.146 0.000 1.334 42 G CA -0.228 44.904 45.100 0.053 0.000 1.024 42 G HN 0.568 nan 8.290 nan 0.000 0.574 43 R N -0.559 119.950 120.500 0.014 0.000 2.439 43 R HA 0.546 4.886 4.340 -0.000 0.000 0.310 43 R C -1.633 174.979 176.300 0.520 0.000 0.955 43 R CA -0.611 55.623 56.100 0.222 0.000 0.853 43 R CB 1.261 31.594 30.300 0.054 0.000 1.171 43 R HN 0.350 nan 8.270 nan 0.000 0.449 44 L N 3.271 124.878 121.223 0.641 0.000 2.317 44 L HA 0.757 5.097 4.340 -0.000 0.000 0.281 44 L C -0.706 176.495 176.870 0.551 0.000 1.024 44 L CA -0.068 55.143 54.840 0.617 0.000 0.810 44 L CB 2.093 44.414 42.059 0.438 0.000 1.240 44 L HN 0.714 nan 8.230 nan 0.000 0.427 45 G N 4.254 113.103 108.800 0.081 0.000 2.609 45 G HA2 0.633 4.593 3.960 -0.000 0.000 0.308 45 G HA3 0.633 4.593 3.960 -0.000 0.000 0.308 45 G C -1.874 172.951 174.900 -0.124 0.000 1.369 45 G CA -0.410 44.621 45.100 -0.115 0.000 0.958 45 G HN 0.545 nan 8.290 nan 0.000 0.499 46 V N 0.771 120.705 119.914 0.034 0.000 2.709 46 V HA 0.868 4.987 4.120 -0.000 0.000 0.308 46 V C -0.089 175.993 176.094 -0.020 0.000 1.062 46 V CA -0.758 61.529 62.300 -0.022 0.000 0.901 46 V CB 1.793 33.638 31.823 0.036 0.000 1.003 46 V HN 1.256 nan 8.190 nan 0.000 0.425 47 A N 4.510 127.283 122.820 -0.079 0.000 2.414 47 A HA 0.839 5.158 4.320 -0.000 0.000 0.286 47 A C -1.506 176.039 177.584 -0.064 0.000 1.073 47 A CA -0.391 51.613 52.037 -0.055 0.000 0.727 47 A CB 1.388 20.348 19.000 -0.067 0.000 1.215 47 A HN 0.950 nan 8.150 nan 0.000 0.430 48 L N 3.193 124.393 121.223 -0.038 0.000 2.329 48 L HA 0.843 5.183 4.340 -0.000 0.000 0.279 48 L C -1.179 175.666 176.870 -0.041 0.000 1.014 48 L CA -0.410 54.404 54.840 -0.043 0.000 0.814 48 L CB 1.248 43.291 42.059 -0.026 0.000 1.257 48 L HN 0.585 nan 8.230 nan 0.000 0.424 49 I N 4.123 124.659 120.570 -0.057 0.000 2.447 49 I HA 0.312 4.482 4.170 -0.000 0.000 0.287 49 I C -1.180 174.895 176.117 -0.071 0.000 1.023 49 I CA -0.569 60.697 61.300 -0.056 0.000 1.083 49 I CB 1.791 39.754 38.000 -0.061 0.000 1.245 49 I HN 0.558 nan 8.210 nan 0.000 0.434 50 D N 4.656 125.020 120.400 -0.059 0.000 2.412 50 D HA 0.103 4.743 4.640 -0.000 0.000 0.224 50 D C 1.191 177.448 176.300 -0.071 0.000 1.093 50 D CA -0.297 53.660 54.000 -0.072 0.000 0.850 50 D CB 1.466 42.236 40.800 -0.051 0.000 1.046 50 D HN 0.649 nan 8.370 nan 0.000 0.507 51 T N 0.892 115.390 114.554 -0.092 0.000 3.163 51 T HA 0.066 4.415 4.350 -0.000 0.000 0.260 51 T C 1.621 176.286 174.700 -0.058 0.000 1.156 51 T CA 0.607 62.663 62.100 -0.074 0.000 1.072 51 T CB 0.047 68.864 68.868 -0.085 0.000 0.937 51 T HN 0.271 nan 8.240 nan 0.000 0.528 52 A N 2.571 125.353 122.820 -0.062 0.000 1.969 52 A HA 0.055 4.375 4.320 -0.000 0.000 0.218 52 A C 1.750 179.314 177.584 -0.033 0.000 1.169 52 A CA 1.390 53.398 52.037 -0.048 0.000 0.635 52 A CB -0.207 18.761 19.000 -0.053 0.000 0.810 52 A HN 0.751 nan 8.150 nan 0.000 0.445 53 D N -4.253 116.129 120.400 -0.031 0.000 2.567 53 D HA 0.066 4.706 4.640 -0.000 0.000 0.268 53 D C 0.083 176.371 176.300 -0.020 0.000 1.448 53 D CA 0.057 54.044 54.000 -0.021 0.000 0.811 53 D CB -1.787 39.002 40.800 -0.018 0.000 1.192 53 D HN 0.438 nan 8.370 nan 0.000 0.488 54 N N 0.099 118.783 118.700 -0.026 0.000 2.753 54 N HA -0.185 4.555 4.740 -0.000 0.000 0.251 54 N C -0.428 175.070 175.510 -0.019 0.000 1.097 54 N CA 1.015 54.051 53.050 -0.023 0.000 0.786 54 N CB -1.208 37.270 38.487 -0.017 0.000 1.137 54 N HN 0.596 nan 8.380 nan 0.000 0.566 55 T N -1.809 112.734 114.554 -0.020 0.000 2.828 55 T HA 0.439 4.789 4.350 -0.000 0.000 0.290 55 T C 0.059 174.750 174.700 -0.015 0.000 1.019 55 T CA -0.195 61.897 62.100 -0.013 0.000 1.031 55 T CB 1.961 70.823 68.868 -0.010 0.000 1.001 55 T HN 0.133 nan 8.240 nan 0.000 0.531 56 Q N 0.018 119.813 119.800 -0.008 0.000 2.456 56 Q HA 0.741 5.081 4.340 -0.000 0.000 0.283 56 Q C -1.240 174.763 176.000 0.004 0.000 1.084 56 Q CA -1.069 54.730 55.803 -0.007 0.000 0.801 56 Q CB 2.799 31.534 28.738 -0.005 0.000 1.434 56 Q HN 0.562 nan 8.270 nan 0.000 0.419 60 Y N 3.091 123.406 120.300 0.025 0.000 2.322 60 Y HA 0.519 5.069 4.550 0.000 0.000 0.324 60 Y C 0.381 176.339 175.900 0.097 0.000 1.027 60 Y CA -0.688 57.443 58.100 0.051 0.000 1.179 60 Y CB 1.260 39.745 38.460 0.042 0.000 1.136 60 Y HN 0.600 nan 8.280 nan 0.000 0.449 61 R N 2.908 123.198 120.500 -0.351 0.000 3.516 61 R HA -0.224 4.116 4.340 -0.000 0.000 0.271 61 R C 1.186 177.545 176.300 0.098 0.000 1.098 61 R CA 0.767 56.795 56.100 -0.119 0.000 0.732 61 R CB -1.613 28.691 30.300 0.005 0.000 1.152 61 R HN 0.998 nan 8.270 nan 0.000 0.455 62 G N 0.274 109.103 108.800 0.047 0.000 2.470 62 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 62 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 62 G C 0.826 175.780 174.900 0.091 0.000 1.121 62 G CA 0.930 46.072 45.100 0.071 0.000 0.766 62 G HN 0.384 nan 8.290 nan 0.000 0.553 63 D N 0.065 120.509 120.400 0.073 0.000 2.395 63 D HA 0.105 4.745 4.640 -0.000 0.000 0.213 63 D C 0.434 176.775 176.300 0.069 0.000 1.110 63 D CA 0.006 54.044 54.000 0.065 0.000 0.835 63 D CB 0.649 41.465 40.800 0.028 0.000 0.965 63 D HN 0.413 nan 8.370 nan 0.000 0.505 64 E N 1.074 121.339 120.200 0.109 0.000 2.313 64 E HA 0.295 4.645 4.350 -0.000 0.000 0.272 64 E C 0.226 176.883 176.600 0.095 0.000 1.038 64 E CA -0.407 56.009 56.400 0.025 0.000 0.863 64 E CB 1.752 31.400 29.700 -0.087 0.000 1.060 64 E HN -0.125 nan 8.360 nan 0.000 0.402 65 R N 1.577 122.047 120.500 -0.050 0.000 2.490 65 R HA 0.390 4.730 4.340 -0.000 0.000 0.278 65 R C -0.807 175.413 176.300 -0.133 0.000 1.069 65 R CA 0.001 56.107 56.100 0.010 0.000 1.080 65 R CB 0.535 30.804 30.300 -0.051 0.000 1.030 65 R HN 0.332 nan 8.270 nan 0.000 0.491 66 F N 1.734 121.670 119.950 -0.024 0.000 2.588 66 F HA 0.354 4.881 4.527 -0.000 0.000 0.310 66 F C -2.084 173.584 175.800 -0.220 0.000 1.082 66 F CA -2.740 55.201 58.000 -0.099 0.000 0.929 66 F CB 2.032 41.004 39.000 -0.045 0.000 1.254 66 F HN 0.319 nan 8.300 nan 0.000 0.455 67 P HA 0.238 nan 4.420 nan 0.000 0.271 67 P C 0.363 177.499 177.300 -0.273 0.000 1.226 67 P CA 0.043 63.061 63.100 -0.136 0.000 0.765 67 P CB 0.587 32.227 31.700 -0.102 0.000 0.835 68 M N 1.188 120.634 119.600 -0.258 0.000 2.254 68 M HA -0.096 4.384 4.480 -0.000 0.000 0.265 68 M C 0.958 177.163 176.300 -0.159 0.000 1.066 68 M CA 0.909 56.036 55.300 -0.289 0.000 1.123 68 M CB -0.609 31.934 32.600 -0.094 0.000 1.388 68 M HN 0.422 nan 8.290 nan 0.000 0.425 69 C N -0.988 118.256 119.300 -0.094 0.000 0.168 69 C HA -0.273 4.187 4.460 -0.000 0.000 0.017 69 C C 2.142 177.141 174.990 0.016 0.000 0.171 69 C CA 0.639 59.638 59.018 -0.033 0.000 0.499 69 C CB -1.764 25.957 27.740 -0.032 0.000 3.212 69 C HN 0.558 nan 8.230 nan 0.000 1.118 70 S N 0.931 116.653 115.700 0.037 0.000 2.537 70 S HA -0.113 4.357 4.470 -0.000 0.000 0.240 70 S C 1.633 176.294 174.600 0.101 0.000 0.981 70 S CA 1.678 59.919 58.200 0.069 0.000 0.948 70 S CB -0.482 62.758 63.200 0.068 0.000 0.759 70 S HN 0.979 nan 8.310 nan 0.000 0.531 71 T N 0.358 114.985 114.554 0.121 0.000 3.007 71 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 71 T C 1.873 176.699 174.700 0.210 0.000 1.107 71 T CA 1.189 63.398 62.100 0.182 0.000 1.118 71 T CB -0.543 68.499 68.868 0.289 0.000 0.889 71 T HN 0.477 nan 8.240 nan 0.000 0.506 72 S N 1.617 117.437 115.700 0.201 0.000 2.474 72 S HA -0.031 4.439 4.470 -0.000 0.000 0.235 72 S C 1.864 176.607 174.600 0.238 0.000 0.997 72 S CA 0.463 58.841 58.200 0.296 0.000 0.949 72 S CB -0.493 62.841 63.200 0.223 0.000 0.766 72 S HN 0.605 nan 8.310 nan 0.000 0.517 73 K N 0.836 121.328 120.400 0.154 0.000 2.280 73 K HA 0.036 4.355 4.320 -0.000 0.000 0.202 73 K C 1.856 178.511 176.600 0.091 0.000 1.047 73 K CA 1.075 57.423 56.287 0.103 0.000 0.942 73 K CB -0.405 32.137 32.500 0.070 0.000 0.739 73 K HN 0.281 nan 8.250 nan 0.000 0.457 74 V N 1.130 121.116 119.914 0.120 0.000 2.343 74 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 74 V C 2.232 178.384 176.094 0.098 0.000 1.051 74 V CA 1.592 63.960 62.300 0.114 0.000 1.036 74 V CB -0.294 31.607 31.823 0.129 0.000 0.654 74 V HN 0.328 nan 8.190 nan 0.000 0.451 75 M N 0.560 120.219 119.600 0.098 0.000 2.175 75 M HA -0.034 4.446 4.480 -0.000 0.000 0.264 75 M C 2.020 178.325 176.300 0.008 0.000 1.063 75 M CA 2.066 57.382 55.300 0.027 0.000 1.119 75 M CB -0.602 31.848 32.600 -0.250 0.000 1.377 75 M HN 0.262 nan 8.290 nan 0.000 0.415 76 A N -0.433 122.412 122.820 0.042 0.000 1.898 76 A HA 0.093 4.413 4.320 -0.000 0.000 0.216 76 A C 2.335 179.879 177.584 -0.068 0.000 1.181 76 A CA 1.793 53.828 52.037 -0.003 0.000 0.620 76 A CB -1.367 17.658 19.000 0.042 0.000 0.819 76 A HN 0.591 nan 8.150 nan 0.000 0.442 77 A N -0.099 122.702 122.820 -0.031 0.000 1.902 77 A HA 0.174 4.494 4.320 -0.000 0.000 0.217 77 A C 2.482 180.056 177.584 -0.017 0.000 1.181 77 A CA 2.020 54.043 52.037 -0.023 0.000 0.623 77 A CB -0.966 18.031 19.000 -0.005 0.000 0.818 77 A HN 1.035 nan 8.150 nan 0.000 0.443 78 A N -0.148 122.642 122.820 -0.051 0.000 1.933 78 A HA 0.174 4.494 4.320 -0.000 0.000 0.218 78 A C 2.474 179.685 177.584 -0.622 0.000 1.175 78 A CA 1.975 53.934 52.037 -0.130 0.000 0.628 78 A CB -0.930 18.111 19.000 0.068 0.000 0.814 78 A HN 1.034 nan 8.150 nan 0.000 0.444 79 A N -0.610 121.648 122.820 -0.936 0.000 1.933 79 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 79 A C 2.198 179.448 177.584 -0.556 0.000 1.175 79 A CA 1.778 53.031 52.037 -1.308 0.000 0.628 79 A CB -0.807 17.764 19.000 -0.715 0.000 0.814 79 A HN 0.383 nan 8.150 nan 0.000 0.444 80 V N -0.097 119.644 119.914 -0.287 0.000 2.453 80 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 80 V C 2.512 178.557 176.094 -0.081 0.000 1.048 80 V CA 1.649 63.872 62.300 -0.128 0.000 1.049 80 V CB -0.660 31.129 31.823 -0.056 0.000 0.672 80 V HN 0.556 nan 8.190 nan 0.000 0.457 81 L N -0.005 121.177 121.223 -0.067 0.000 2.046 81 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 81 L C 2.618 179.461 176.870 -0.044 0.000 1.077 81 L CA 1.683 56.518 54.840 -0.009 0.000 0.747 81 L CB -0.502 41.575 42.059 0.031 0.000 0.896 81 L HN 0.292 nan 8.230 nan 0.000 0.432 82 K N 0.308 120.636 120.400 -0.120 0.000 2.057 82 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 82 K C 2.047 178.638 176.600 -0.014 0.000 1.049 82 K CA 1.552 57.821 56.287 -0.030 0.000 0.931 82 K CB -0.170 32.343 32.500 0.021 0.000 0.714 82 K HN 0.295 nan 8.250 nan 0.000 0.440 83 Q N -0.141 119.626 119.800 -0.055 0.000 2.124 83 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 83 Q C 1.893 177.892 176.000 -0.002 0.000 0.977 83 Q CA 1.734 57.526 55.803 -0.018 0.000 0.850 83 Q CB -0.172 28.549 28.738 -0.029 0.000 0.901 83 Q HN 0.544 nan 8.270 nan 0.000 0.429 84 S N 0.180 115.877 115.700 -0.004 0.000 2.547 84 S HA -0.103 4.367 4.470 -0.000 0.000 0.235 84 S C 1.383 175.988 174.600 0.009 0.000 0.980 84 S CA 0.634 58.838 58.200 0.007 0.000 0.941 84 S CB -0.042 63.166 63.200 0.015 0.000 0.763 84 S HN 0.314 nan 8.310 nan 0.000 0.532 85 E N 1.004 121.211 120.200 0.012 0.000 2.204 85 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 85 E C 1.995 178.605 176.600 0.017 0.000 0.989 85 E CA 1.551 57.962 56.400 0.017 0.000 0.824 85 E CB -0.063 29.655 29.700 0.030 0.000 0.756 85 E HN 0.946 nan 8.360 nan 0.000 0.477 86 T N -2.918 111.647 114.554 0.017 0.000 2.999 86 T HA 0.073 4.423 4.350 -0.000 0.000 0.247 86 T C 1.024 175.731 174.700 0.012 0.000 1.012 86 T CA -0.296 61.814 62.100 0.016 0.000 1.048 86 T CB 0.203 69.082 68.868 0.020 0.000 1.020 86 T HN -0.122 nan 8.240 nan 0.000 0.478 87 Q N 1.575 121.381 119.800 0.011 0.000 2.673 87 Q HA 0.338 4.678 4.340 -0.000 0.000 0.224 87 Q C 0.716 176.721 176.000 0.009 0.000 1.226 87 Q CA -0.384 55.425 55.803 0.009 0.000 1.019 87 Q CB 0.767 29.510 28.738 0.008 0.000 1.312 87 Q HN 0.421 nan 8.270 nan 0.000 0.566 88 K N 0.580 120.985 120.400 0.008 0.000 2.173 88 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 88 K C 0.981 177.586 176.600 0.007 0.000 1.046 88 K CA 1.113 57.404 56.287 0.006 0.000 0.929 88 K CB 0.243 32.745 32.500 0.005 0.000 0.720 88 K HN 0.426 nan 8.250 nan 0.000 0.453 89 Q N 0.223 120.027 119.800 0.008 0.000 2.198 89 Q HA 0.080 4.420 4.340 -0.000 0.000 0.209 89 Q C 1.613 177.620 176.000 0.011 0.000 0.848 89 Q CA 0.014 55.822 55.803 0.008 0.000 0.974 89 Q CB 0.267 29.009 28.738 0.006 0.000 1.115 89 Q HN 0.169 nan 8.270 nan 0.000 0.494 90 L N 0.670 121.900 121.223 0.012 0.000 2.043 90 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 90 L C 1.755 178.637 176.870 0.020 0.000 1.075 90 L CA 1.738 56.586 54.840 0.013 0.000 0.752 90 L CB -0.513 41.552 42.059 0.011 0.000 0.891 90 L HN 0.215 nan 8.230 nan 0.000 0.432 91 L N -0.332 120.911 121.223 0.033 0.000 2.353 91 L HA -0.152 4.188 4.340 -0.000 0.000 0.220 91 L C 1.229 178.125 176.870 0.043 0.000 1.133 91 L CA 0.683 55.556 54.840 0.055 0.000 0.798 91 L CB -0.623 41.489 42.059 0.088 0.000 0.922 91 L HN 0.416 nan 8.230 nan 0.000 0.445 92 N N -0.449 118.266 118.700 0.027 0.000 2.230 92 N HA -0.004 4.736 4.740 -0.000 0.000 0.202 92 N C 0.413 175.926 175.510 0.005 0.000 1.119 92 N CA 0.058 53.119 53.050 0.017 0.000 0.851 92 N CB 0.368 38.864 38.487 0.016 0.000 0.990 92 N HN 0.410 nan 8.380 nan 0.000 0.497 93 Q N 2.280 122.083 119.800 0.004 0.000 2.297 93 Q HA 0.183 4.523 4.340 -0.000 0.000 0.267 93 Q C -2.553 173.441 176.000 -0.009 0.000 1.006 93 Q CA -1.352 54.450 55.803 -0.001 0.000 0.896 93 Q CB 0.878 29.616 28.738 0.000 0.000 1.186 93 Q HN -0.033 nan 8.270 nan 0.000 0.392 94 P HA 0.091 nan 4.420 nan 0.000 0.275 94 P C -1.376 175.913 177.300 -0.018 0.000 1.227 94 P CA -0.233 62.855 63.100 -0.020 0.000 0.781 94 P CB 1.007 32.697 31.700 -0.016 0.000 0.906 95 V N 2.918 122.817 119.914 -0.025 0.000 2.531 95 V HA 0.210 4.330 4.120 -0.000 0.000 0.301 95 V C 0.226 176.309 176.094 -0.018 0.000 1.034 95 V CA -0.705 61.583 62.300 -0.020 0.000 0.865 95 V CB 1.612 33.421 31.823 -0.024 0.000 0.995 95 V HN 0.495 nan 8.190 nan 0.000 0.424 96 E N 4.324 124.518 120.200 -0.009 0.000 2.384 96 E HA 0.266 4.616 4.350 -0.000 0.000 0.266 96 E C -0.887 175.712 176.600 -0.001 0.000 1.012 96 E CA -0.180 56.218 56.400 -0.004 0.000 0.901 96 E CB 0.912 30.612 29.700 -0.000 0.000 0.967 96 E HN 0.352 nan 8.360 nan 0.000 0.435 97 I N 3.667 124.241 120.570 0.007 0.000 2.382 97 I HA 0.244 4.414 4.170 -0.000 0.000 0.286 97 I C -0.012 176.111 176.117 0.011 0.000 1.002 97 I CA -0.512 60.795 61.300 0.011 0.000 1.135 97 I CB 1.105 39.122 38.000 0.028 0.000 1.288 97 I HN 0.330 nan 8.210 nan 0.000 0.448 98 K N 6.985 127.388 120.400 0.005 0.000 2.118 98 K HA 0.440 4.760 4.320 -0.000 0.000 0.254 98 K C -1.708 174.893 176.600 0.001 0.000 0.961 98 K CA -1.436 54.853 56.287 0.003 0.000 0.876 98 K CB 1.430 33.932 32.500 0.002 0.000 1.077 98 K HN 0.134 nan 8.250 nan 0.000 0.440 99 P HA -0.234 nan 4.420 nan 0.000 0.216 99 P C 0.648 177.946 177.300 -0.002 0.000 1.150 99 P CA 1.289 64.387 63.100 -0.004 0.000 0.843 99 P CB 0.164 31.861 31.700 -0.005 0.000 0.787 100 A N -0.568 122.252 122.820 -0.000 0.000 2.121 100 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 100 A C 1.717 179.303 177.584 0.003 0.000 1.154 100 A CA 1.541 53.579 52.037 0.002 0.000 0.679 100 A CB -1.040 17.961 19.000 0.002 0.000 0.795 100 A HN 0.098 nan 8.150 nan 0.000 0.458 101 D N -0.123 120.278 120.400 0.003 0.000 2.277 101 D HA 0.050 4.690 4.640 -0.000 0.000 0.208 101 D C 0.647 176.949 176.300 0.004 0.000 0.962 101 D CA 0.267 54.269 54.000 0.004 0.000 0.865 101 D CB -0.204 40.598 40.800 0.003 0.000 0.939 101 D HN 0.401 nan 8.370 nan 0.000 0.510 102 L N 1.508 122.731 121.223 0.001 0.000 2.490 102 L HA 0.061 4.401 4.340 -0.000 0.000 0.274 102 L C 1.140 178.015 176.870 0.009 0.000 1.201 102 L CA -0.346 54.494 54.840 -0.000 0.000 0.869 102 L CB 0.697 42.751 42.059 -0.008 0.000 1.123 102 L HN -0.127 nan 8.230 nan 0.000 0.484 103 V N 0.398 120.322 119.914 0.018 0.000 6.636 103 V HA 0.323 4.443 4.120 -0.000 0.000 0.271 103 V C 1.116 177.238 176.094 0.046 0.000 1.655 103 V CA 0.035 62.354 62.300 0.031 0.000 0.583 103 V CB 0.464 32.310 31.823 0.038 0.000 1.526 103 V HN 0.831 nan 8.190 nan 0.000 0.370 104 N N -0.695 118.048 118.700 0.073 0.000 2.416 104 N HA -0.001 4.739 4.740 -0.000 0.000 0.177 104 N C 0.016 175.639 175.510 0.187 0.000 1.036 104 N CA 0.922 54.032 53.050 0.100 0.000 0.901 104 N CB 0.206 38.744 38.487 0.085 0.000 0.976 104 N HN 0.848 nan 8.380 nan 0.000 0.444 105 Y N 0.699 121.006 120.300 0.011 0.000 2.317 105 Y HA 0.347 4.897 4.550 -0.000 0.000 0.329 105 Y C -1.395 174.514 175.900 0.015 0.000 1.101 105 Y CA -0.965 57.144 58.100 0.016 0.000 1.228 105 Y CB 0.781 39.255 38.460 0.024 0.000 1.123 105 Y HN -0.032 nan 8.280 nan 0.000 0.457 106 N N 7.873 126.405 118.700 -0.281 0.000 2.672 106 N HA 0.131 4.871 4.740 -0.000 0.000 0.295 106 N C -2.572 172.752 175.510 -0.309 0.000 1.924 106 N CA -1.120 51.787 53.050 -0.239 0.000 0.851 106 N CB 1.132 39.557 38.487 -0.104 0.000 1.281 106 N HN 0.503 nan 8.380 nan 0.000 0.494 107 P HA -0.088 nan 4.420 nan 0.000 0.219 107 P C 1.119 178.246 177.300 -0.289 0.000 1.146 107 P CA 0.900 63.774 63.100 -0.376 0.000 0.808 107 P CB 0.635 32.085 31.700 -0.417 0.000 0.779 108 I N -0.623 119.792 120.570 -0.259 0.000 2.947 108 I HA 0.093 4.263 4.170 -0.000 0.000 0.263 108 I C 2.564 178.646 176.117 -0.058 0.000 1.130 108 I CA 0.753 61.934 61.300 -0.198 0.000 1.448 108 I CB -1.881 35.992 38.000 -0.212 0.000 1.222 108 I HN -0.121 nan 8.210 nan 0.000 0.453 109 A N 1.767 124.558 122.820 -0.050 0.000 2.019 109 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 109 A C 2.117 179.687 177.584 -0.022 0.000 1.164 109 A CA 1.762 53.805 52.037 0.011 0.000 0.644 109 A CB -0.801 18.189 19.000 -0.016 0.000 0.805 109 A HN 0.664 nan 8.150 nan 0.000 0.449 110 E N 0.090 120.240 120.200 -0.084 0.000 2.265 110 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 110 E C 1.821 178.338 176.600 -0.138 0.000 0.996 110 E CA 1.393 57.737 56.400 -0.093 0.000 0.832 110 E CB -0.319 29.321 29.700 -0.100 0.000 0.756 110 E HN 0.652 nan 8.360 nan 0.000 0.491 111 K N 0.237 120.501 120.400 -0.226 0.000 2.288 111 K HA -0.088 4.232 4.320 -0.000 0.000 0.201 111 K C 1.048 177.317 176.600 -0.551 0.000 1.048 111 K CA 0.905 56.951 56.287 -0.402 0.000 0.956 111 K CB 0.171 32.348 32.500 -0.538 0.000 0.746 111 K HN 0.274 nan 8.250 nan 0.000 0.461 112 H N -0.219 118.815 119.070 -0.060 0.000 2.592 112 H HA 0.145 4.701 4.556 -0.000 0.000 0.279 112 H C -0.242 175.063 175.328 -0.037 0.000 1.089 112 H CA -0.307 55.714 56.048 -0.046 0.000 1.150 112 H CB 0.259 29.992 29.762 -0.049 0.000 1.575 112 H HN -0.089 nan 8.280 nan 0.000 0.547 113 V N 2.605 122.527 119.914 0.013 0.000 2.788 113 V HA -0.137 3.983 4.120 -0.000 0.000 0.307 113 V C 1.059 177.158 176.094 0.009 0.000 1.069 113 V CA 0.294 62.598 62.300 0.007 0.000 1.173 113 V CB 0.206 32.019 31.823 -0.016 0.000 0.925 113 V HN 0.645 nan 8.190 nan 0.000 0.492 114 N N 2.155 120.861 118.700 0.011 0.000 2.741 114 N HA -0.155 4.585 4.740 -0.000 0.000 0.250 114 N C 0.161 175.682 175.510 0.018 0.000 1.115 114 N CA 1.252 54.307 53.050 0.009 0.000 0.724 114 N CB -0.967 37.521 38.487 0.001 0.000 1.090 114 N HN 1.034 nan 8.380 nan 0.000 0.558 115 G N -1.549 107.271 108.800 0.033 0.000 2.976 115 G HA2 0.753 4.713 3.960 -0.000 0.000 0.276 115 G HA3 0.753 4.713 3.960 -0.000 0.000 0.276 115 G C -0.626 174.293 174.900 0.033 0.000 1.207 115 G CA 0.429 45.555 45.100 0.044 0.000 0.803 115 G HN 0.373 nan 8.290 nan 0.000 0.572 116 T N -2.708 111.859 114.554 0.021 0.000 2.883 116 T HA 0.773 5.122 4.350 -0.000 0.000 0.296 116 T C -0.668 173.972 174.700 -0.099 0.000 1.117 116 T CA -0.676 61.411 62.100 -0.022 0.000 1.006 116 T CB 2.035 70.889 68.868 -0.023 0.000 1.191 116 T HN 0.505 nan 8.240 nan 0.000 0.508 117 M N 1.828 121.358 119.600 -0.117 0.000 2.484 117 M HA 0.471 4.951 4.480 -0.000 0.000 0.289 117 M C -0.021 176.216 176.300 -0.104 0.000 1.206 117 M CA -0.806 54.382 55.300 -0.187 0.000 0.892 117 M CB 2.972 35.448 32.600 -0.208 0.000 1.712 117 M HN 1.030 nan 8.290 nan 0.000 0.462 118 T N -1.113 113.386 114.554 -0.092 0.000 2.874 118 T HA 0.448 4.798 4.350 -0.000 0.000 0.281 118 T C 1.016 175.693 174.700 -0.038 0.000 0.994 118 T CA -0.812 61.261 62.100 -0.045 0.000 1.015 118 T CB 0.802 69.657 68.868 -0.021 0.000 1.028 118 T HN 0.656 nan 8.240 nan 0.000 0.523 119 L N 0.921 122.135 121.223 -0.015 0.000 2.131 119 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 119 L C 3.088 179.957 176.870 -0.000 0.000 1.092 119 L CA 1.477 56.309 54.840 -0.013 0.000 0.759 119 L CB -0.899 41.162 42.059 0.003 0.000 0.903 119 L HN 0.964 nan 8.230 nan 0.000 0.435 120 A N -0.100 122.755 122.820 0.059 0.000 1.873 120 A HA -0.214 4.106 4.320 -0.000 0.000 0.215 120 A C 2.154 179.760 177.584 0.036 0.000 1.186 120 A CA 1.561 53.696 52.037 0.164 0.000 0.616 120 A CB -0.378 18.760 19.000 0.231 0.000 0.823 120 A HN 0.412 nan 8.150 nan 0.000 0.442 121 E N -0.236 119.959 120.200 -0.008 0.000 2.110 121 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 121 E C 1.911 178.434 176.600 -0.128 0.000 0.988 121 E CA 1.127 57.488 56.400 -0.065 0.000 0.804 121 E CB -0.258 29.382 29.700 -0.099 0.000 0.745 121 E HN 0.623 nan 8.360 nan 0.000 0.458 122 L N 0.390 121.537 121.223 -0.126 0.000 2.093 122 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 122 L C 2.469 179.214 176.870 -0.209 0.000 1.085 122 L CA 0.797 55.558 54.840 -0.132 0.000 0.755 122 L CB -0.213 41.790 42.059 -0.093 0.000 0.904 122 L HN 0.048 nan 8.230 nan 0.000 0.435 123 S N 0.031 115.542 115.700 -0.314 0.000 2.368 123 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 123 S C 2.215 176.313 174.600 -0.837 0.000 1.030 123 S CA 1.230 59.085 58.200 -0.574 0.000 0.999 123 S CB -0.345 62.378 63.200 -0.794 0.000 0.844 123 S HN 0.493 nan 8.310 nan 0.000 0.459 124 A N 1.579 123.858 122.820 -0.902 0.000 1.902 124 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 124 A C 2.349 179.786 177.584 -0.244 0.000 1.181 124 A CA 1.702 53.288 52.037 -0.751 0.000 0.623 124 A CB -1.058 17.743 19.000 -0.331 0.000 0.818 124 A HN 0.512 nan 8.150 nan 0.000 0.443 125 A N -0.134 122.607 122.820 -0.131 0.000 1.898 125 A HA 0.184 4.504 4.320 -0.000 0.000 0.216 125 A C 2.516 180.120 177.584 0.034 0.000 1.181 125 A CA 2.043 54.097 52.037 0.028 0.000 0.620 125 A CB -1.036 17.935 19.000 -0.048 0.000 0.819 125 A HN 1.040 nan 8.150 nan 0.000 0.442 126 A N -0.362 122.418 122.820 -0.067 0.000 1.902 126 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 126 A C 2.199 179.772 177.584 -0.019 0.000 1.181 126 A CA 1.574 53.592 52.037 -0.032 0.000 0.623 126 A CB -0.543 18.415 19.000 -0.071 0.000 0.818 126 A HN 0.469 nan 8.150 nan 0.000 0.443 127 L N -1.332 119.830 121.223 -0.102 0.000 2.068 127 L HA -0.145 4.195 4.340 -0.000 0.000 0.204 127 L C 2.733 179.582 176.870 -0.034 0.000 1.076 127 L CA 1.291 56.094 54.840 -0.062 0.000 0.753 127 L CB -0.475 41.518 42.059 -0.110 0.000 0.910 127 L HN 0.456 nan 8.230 nan 0.000 0.439 128 Q N -1.570 118.190 119.800 -0.067 0.000 2.398 128 Q HA -0.042 4.298 4.340 -0.000 0.000 0.204 128 Q C 0.777 176.529 176.000 -0.413 0.000 0.932 128 Q CA 0.871 56.557 55.803 -0.194 0.000 0.916 128 Q CB 0.421 29.027 28.738 -0.220 0.000 1.024 128 Q HN 0.519 nan 8.270 nan 0.000 0.504 129 Y N -1.562 118.752 120.300 0.024 0.000 2.563 129 Y HA 0.235 4.785 4.550 -0.000 0.000 0.250 129 Y C 0.657 176.640 175.900 0.137 0.000 1.126 129 Y CA -0.277 57.860 58.100 0.062 0.000 1.231 129 Y CB 1.222 39.684 38.460 0.004 0.000 1.288 129 Y HN -0.176 nan 8.280 nan 0.000 0.537 130 S N 1.708 117.537 115.700 0.215 0.000 3.641 130 S HA -0.216 4.254 4.470 -0.000 0.000 0.346 130 S C -0.176 174.588 174.600 0.273 0.000 1.074 130 S CA 0.609 58.940 58.200 0.218 0.000 1.026 130 S CB -1.253 62.081 63.200 0.223 0.000 0.908 130 S HN 0.571 nan 8.310 nan 0.000 0.479 131 D N 0.673 121.167 120.400 0.157 0.000 2.417 131 D HA 0.126 4.766 4.640 -0.000 0.000 0.250 131 D C 1.200 177.546 176.300 0.077 0.000 1.166 131 D CA -0.112 53.920 54.000 0.052 0.000 0.881 131 D CB 0.435 41.221 40.800 -0.024 0.000 1.164 131 D HN 0.366 nan 8.370 nan 0.000 0.467 132 N N 2.002 120.762 118.700 0.100 0.000 2.376 132 N HA -0.079 4.661 4.740 -0.000 0.000 0.177 132 N C 1.476 177.011 175.510 0.042 0.000 1.024 132 N CA 0.669 53.772 53.050 0.088 0.000 0.893 132 N CB 0.059 38.618 38.487 0.120 0.000 0.980 132 N HN 0.416 nan 8.380 nan 0.000 0.439 133 T N 0.649 115.213 114.554 0.018 0.000 2.821 133 T HA 0.010 4.360 4.350 -0.000 0.000 0.267 133 T C 1.922 176.620 174.700 -0.003 0.000 1.046 133 T CA 1.154 63.257 62.100 0.005 0.000 1.139 133 T CB -0.175 68.688 68.868 -0.008 0.000 0.871 133 T HN 0.283 nan 8.240 nan 0.000 0.454 134 A N 1.585 124.398 122.820 -0.012 0.000 1.877 134 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 134 A C 2.243 179.815 177.584 -0.020 0.000 1.186 134 A CA 1.971 53.992 52.037 -0.028 0.000 0.620 134 A CB -0.694 18.280 19.000 -0.043 0.000 0.822 134 A HN 0.445 nan 8.150 nan 0.000 0.443 135 M N 0.586 120.186 119.600 0.000 0.000 2.108 135 M HA -0.141 4.339 4.480 -0.000 0.000 0.261 135 M C 1.340 177.648 176.300 0.014 0.000 1.066 135 M CA 2.034 57.340 55.300 0.011 0.000 1.107 135 M CB -0.822 31.800 32.600 0.037 0.000 1.356 135 M HN 0.374 nan 8.290 nan 0.000 0.406 136 N N 0.269 118.979 118.700 0.017 0.000 2.223 136 N HA -0.131 4.609 4.740 -0.000 0.000 0.185 136 N C 1.485 176.999 175.510 0.008 0.000 1.016 136 N CA 1.062 54.122 53.050 0.017 0.000 0.863 136 N CB -0.314 38.184 38.487 0.017 0.000 0.983 136 N HN 0.361 nan 8.380 nan 0.000 0.429 137 K N 0.826 121.224 120.400 -0.002 0.000 2.148 137 K HA 0.056 4.376 4.320 -0.000 0.000 0.204 137 K C 2.097 178.690 176.600 -0.011 0.000 1.050 137 K CA 0.367 56.648 56.287 -0.009 0.000 0.942 137 K CB -0.441 32.048 32.500 -0.019 0.000 0.724 137 K HN 0.274 nan 8.250 nan 0.000 0.446 138 L N 0.376 121.590 121.223 -0.015 0.000 2.056 138 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 138 L C 2.416 179.285 176.870 -0.002 0.000 1.078 138 L CA 1.013 55.841 54.840 -0.019 0.000 0.749 138 L CB -0.478 41.564 42.059 -0.027 0.000 0.901 138 L HN 0.047 nan 8.230 nan 0.000 0.433 139 I N 0.153 120.731 120.570 0.014 0.000 2.226 139 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 139 I C 2.823 178.953 176.117 0.023 0.000 1.100 139 I CA 1.219 62.536 61.300 0.029 0.000 1.374 139 I CB -0.448 37.576 38.000 0.040 0.000 1.057 139 I HN 0.207 nan 8.210 nan 0.000 0.413 140 A N 0.266 123.095 122.820 0.015 0.000 1.902 140 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 140 A C 2.237 179.827 177.584 0.009 0.000 1.181 140 A CA 1.897 53.942 52.037 0.013 0.000 0.623 140 A CB -0.614 18.391 19.000 0.008 0.000 0.818 140 A HN 0.443 nan 8.150 nan 0.000 0.443 141 Q N 0.114 119.916 119.800 0.003 0.000 2.226 141 Q HA -0.025 4.315 4.340 -0.000 0.000 0.204 141 Q C 1.436 177.437 176.000 0.002 0.000 0.975 141 Q CA 1.542 57.344 55.803 -0.001 0.000 0.866 141 Q CB -0.554 28.178 28.738 -0.010 0.000 0.915 141 Q HN 0.638 nan 8.270 nan 0.000 0.440 142 L N -1.218 120.009 121.223 0.006 0.000 2.591 142 L HA 0.298 4.638 4.340 -0.000 0.000 0.228 142 L C 1.047 177.934 176.870 0.029 0.000 1.133 142 L CA 0.354 55.202 54.840 0.014 0.000 0.880 142 L CB -0.098 41.970 42.059 0.015 0.000 1.033 142 L HN 0.475 nan 8.230 nan 0.000 0.450 143 G N -0.133 108.682 108.800 0.026 0.000 2.132 143 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.228 143 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.228 143 G C 0.513 175.434 174.900 0.034 0.000 1.000 143 G CA -0.038 45.080 45.100 0.029 0.000 0.693 143 G HN 0.841 nan 8.290 nan 0.000 0.515 144 G N -1.802 107.020 108.800 0.037 0.000 2.541 144 G HA2 0.281 4.241 3.960 -0.000 0.000 0.686 144 G HA3 0.281 4.241 3.960 -0.000 0.000 0.686 144 G C -1.091 173.845 174.900 0.059 0.000 1.286 144 G CA 0.115 45.240 45.100 0.041 0.000 0.894 144 G HN 0.465 nan 8.290 nan 0.000 0.575 145 P HA -0.078 nan 4.420 nan 0.000 0.216 145 P C 2.085 179.452 177.300 0.111 0.000 1.150 145 P CA 2.425 65.576 63.100 0.086 0.000 0.843 145 P CB -0.100 31.636 31.700 0.060 0.000 0.787 146 G N -0.613 108.238 108.800 0.086 0.000 2.462 146 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 146 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 146 G C 1.727 176.692 174.900 0.109 0.000 1.121 146 G CA 0.874 46.030 45.100 0.093 0.000 0.758 146 G HN 0.383 nan 8.290 nan 0.000 0.559 147 G N 0.199 109.057 108.800 0.097 0.000 2.448 147 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.218 147 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.218 147 G C 1.670 176.651 174.900 0.136 0.000 1.135 147 G CA 1.045 46.204 45.100 0.099 0.000 0.784 147 G HN 0.328 nan 8.290 nan 0.000 0.543 148 V N 0.935 120.945 119.914 0.159 0.000 2.379 148 V HA -0.125 3.994 4.120 -0.000 0.000 0.245 148 V C 3.079 179.325 176.094 0.253 0.000 1.044 148 V CA 2.194 64.615 62.300 0.202 0.000 1.036 148 V CB -0.822 31.154 31.823 0.255 0.000 0.664 148 V HN 0.344 nan 8.190 nan 0.000 0.453 149 T N 0.705 115.448 114.554 0.315 0.000 2.788 149 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 149 T C 2.098 176.905 174.700 0.178 0.000 1.044 149 T CA 1.513 63.816 62.100 0.338 0.000 1.139 149 T CB -0.405 68.627 68.868 0.273 0.000 0.867 149 T HN 0.548 nan 8.240 nan 0.000 0.454 150 A N 1.160 124.069 122.820 0.148 0.000 1.933 150 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 150 A C 1.995 179.640 177.584 0.101 0.000 1.175 150 A CA 1.362 53.463 52.037 0.107 0.000 0.628 150 A CB -0.918 18.144 19.000 0.104 0.000 0.814 150 A HN 0.504 nan 8.150 nan 0.000 0.444 151 F N 1.037 120.982 119.950 -0.009 0.000 2.146 151 F HA 0.018 4.545 4.527 -0.000 0.000 0.298 151 F C 2.453 178.207 175.800 -0.077 0.000 1.096 151 F CA 0.950 58.926 58.000 -0.040 0.000 1.275 151 F CB -0.576 38.392 39.000 -0.053 0.000 1.008 151 F HN 0.244 nan 8.300 nan 0.000 0.480 152 A N 1.248 123.923 122.820 -0.241 0.000 1.892 152 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 152 A C 2.335 179.766 177.584 -0.256 0.000 1.188 152 A CA 1.753 53.568 52.037 -0.371 0.000 0.631 152 A CB -0.678 18.140 19.000 -0.304 0.000 0.822 152 A HN 0.363 nan 8.150 nan 0.000 0.447 153 R N -0.450 119.979 120.500 -0.117 0.000 2.096 153 R HA -0.053 4.287 4.340 -0.000 0.000 0.235 153 R C 2.322 178.549 176.300 -0.122 0.000 1.127 153 R CA 1.347 57.402 56.100 -0.074 0.000 0.968 153 R CB -1.235 29.059 30.300 -0.010 0.000 0.861 153 R HN 0.544 nan 8.270 nan 0.000 0.440 154 A N 1.618 124.336 122.820 -0.170 0.000 2.070 154 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 154 A C 1.944 179.387 177.584 -0.235 0.000 1.159 154 A CA 1.132 53.070 52.037 -0.164 0.000 0.656 154 A CB -0.489 18.443 19.000 -0.114 0.000 0.800 154 A HN 0.457 nan 8.150 nan 0.000 0.453 155 I N -5.493 114.850 120.570 -0.378 0.000 3.914 155 I HA 0.552 4.722 4.170 -0.000 0.000 0.333 155 I C 0.974 176.976 176.117 -0.191 0.000 1.449 155 I CA 0.413 61.521 61.300 -0.321 0.000 1.135 155 I CB -0.012 37.691 38.000 -0.496 0.000 1.073 155 I HN 0.260 nan 8.210 nan 0.000 0.401 156 G N 1.405 110.119 108.800 -0.145 0.000 2.157 156 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 156 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 156 G C -0.199 174.664 174.900 -0.061 0.000 0.979 156 G CA 0.306 45.357 45.100 -0.082 0.000 0.650 156 G HN 0.588 nan 8.290 nan 0.000 0.529 157 D N 0.722 121.074 120.400 -0.080 0.000 2.396 157 D HA 0.412 5.052 4.640 -0.000 0.000 0.225 157 D C 1.076 177.388 176.300 0.019 0.000 1.121 157 D CA -0.340 53.646 54.000 -0.023 0.000 0.853 157 D CB 0.496 41.272 40.800 -0.040 0.000 1.043 157 D HN 0.478 nan 8.370 nan 0.000 0.500 158 E N 1.625 121.846 120.200 0.035 0.000 2.463 158 E HA 0.059 4.409 4.350 -0.000 0.000 0.193 158 E C 0.690 177.333 176.600 0.071 0.000 1.041 158 E CA 0.123 56.551 56.400 0.046 0.000 0.879 158 E CB 0.789 30.505 29.700 0.026 0.000 0.997 158 E HN 0.368 nan 8.360 nan 0.000 0.478 159 T N 0.325 114.941 114.554 0.104 0.000 3.056 159 T HA 0.048 4.398 4.350 -0.000 0.000 0.241 159 T C 0.295 175.086 174.700 0.151 0.000 1.006 159 T CA -0.354 61.812 62.100 0.109 0.000 1.115 159 T CB -0.029 68.901 68.868 0.103 0.000 0.939 159 T HN 0.117 nan 8.240 nan 0.000 0.462 160 F N 5.172 125.148 119.950 0.043 0.000 2.629 160 F HA 0.205 4.732 4.527 -0.000 0.000 0.377 160 F C 0.543 176.370 175.800 0.046 0.000 1.101 160 F CA -0.411 57.623 58.000 0.056 0.000 1.301 160 F CB 0.382 39.419 39.000 0.061 0.000 1.062 160 F HN 0.068 nan 8.300 nan 0.000 0.583 161 R N 6.045 126.241 120.500 -0.507 0.000 2.548 161 R HA 0.661 5.001 4.340 -0.000 0.000 0.280 161 R C -2.443 173.529 176.300 -0.546 0.000 1.061 161 R CA -1.194 54.731 56.100 -0.291 0.000 0.915 161 R CB 1.328 31.561 30.300 -0.112 0.000 1.210 161 R HN 0.655 nan 8.270 nan 0.000 0.442 162 L N 2.513 123.605 121.223 -0.218 0.000 2.313 162 L HA 0.437 4.777 4.340 -0.000 0.000 0.283 162 L C -0.338 176.521 176.870 -0.018 0.000 1.013 162 L CA 0.104 54.872 54.840 -0.119 0.000 0.816 162 L CB 1.773 43.906 42.059 0.123 0.000 1.236 162 L HN 0.835 nan 8.230 nan 0.000 0.419 163 D N 3.204 123.581 120.400 -0.038 0.000 2.469 163 D HA 0.181 4.821 4.640 -0.000 0.000 0.240 163 D C 0.240 176.540 176.300 -0.000 0.000 1.087 163 D CA 0.221 54.212 54.000 -0.014 0.000 0.876 163 D CB 1.096 41.876 40.800 -0.034 0.000 1.160 163 D HN 0.438 nan 8.370 nan 0.000 0.497 164 R N 0.445 120.944 120.500 -0.003 0.000 2.912 164 R HA 0.429 4.769 4.340 -0.000 0.000 0.262 164 R C 0.062 176.372 176.300 0.018 0.000 1.057 164 R CA -0.540 55.564 56.100 0.006 0.000 0.981 164 R CB 1.772 32.071 30.300 -0.001 0.000 1.201 164 R HN -0.061 nan 8.270 nan 0.000 0.484 165 T N -1.761 112.805 114.554 0.020 0.000 2.852 165 T HA 0.318 4.668 4.350 -0.000 0.000 0.281 165 T C 0.034 174.749 174.700 0.026 0.000 0.993 165 T CA -0.970 61.146 62.100 0.026 0.000 0.933 165 T CB 0.823 69.706 68.868 0.024 0.000 1.187 165 T HN 0.228 nan 8.240 nan 0.000 0.559 166 E N 2.071 122.290 120.200 0.031 0.000 2.331 166 E HA 0.232 4.582 4.350 -0.000 0.000 0.272 166 E C -1.577 175.042 176.600 0.032 0.000 1.036 166 E CA -2.212 54.210 56.400 0.036 0.000 0.864 166 E CB 1.306 31.035 29.700 0.047 0.000 1.035 166 E HN 0.520 nan 8.360 nan 0.000 0.408 167 P HA -0.007 nan 4.420 nan 0.000 0.261 167 P C 0.980 178.293 177.300 0.021 0.000 1.268 167 P CA 0.501 63.620 63.100 0.032 0.000 0.833 167 P CB 0.213 31.934 31.700 0.035 0.000 1.231 168 T N -0.849 113.715 114.554 0.017 0.000 2.977 168 T HA -0.137 4.213 4.350 -0.000 0.000 0.271 168 T C 1.731 176.435 174.700 0.006 0.000 1.105 168 T CA 0.942 63.048 62.100 0.012 0.000 1.116 168 T CB -1.326 67.547 68.868 0.009 0.000 0.878 168 T HN 0.111 nan 8.240 nan 0.000 0.509 169 L N -0.239 120.987 121.223 0.005 0.000 2.549 169 L HA 0.277 4.617 4.340 -0.000 0.000 0.229 169 L C 1.279 178.141 176.870 -0.013 0.000 1.158 169 L CA 1.118 55.953 54.840 -0.008 0.000 0.842 169 L CB -0.892 41.164 42.059 -0.005 0.000 0.952 169 L HN 0.092 nan 8.230 nan 0.000 0.452 170 N N -0.079 118.621 118.700 -0.000 0.000 2.251 170 N HA 0.012 4.752 4.740 -0.000 0.000 0.217 170 N C 1.346 176.868 175.510 0.019 0.000 1.124 170 N CA 0.873 53.924 53.050 0.001 0.000 0.843 170 N CB 0.140 38.630 38.487 0.004 0.000 1.024 170 N HN 0.629 nan 8.380 nan 0.000 0.501 171 T N -1.371 113.197 114.554 0.023 0.000 2.881 171 T HA -0.057 4.293 4.350 -0.000 0.000 0.270 171 T C 1.305 176.075 174.700 0.117 0.000 1.068 171 T CA 0.920 63.058 62.100 0.062 0.000 1.131 171 T CB -0.227 68.670 68.868 0.048 0.000 0.871 171 T HN 0.240 nan 8.240 nan 0.000 0.479 172 A N 0.791 123.631 122.820 0.034 0.000 2.745 172 A HA -0.134 4.186 4.320 -0.000 0.000 0.296 172 A C 0.359 177.835 177.584 -0.181 0.000 1.500 172 A CA 0.637 52.663 52.037 -0.019 0.000 0.766 172 A CB -2.726 16.309 19.000 0.059 0.000 1.030 172 A HN 0.757 nan 8.150 nan 0.000 0.489 173 I N 0.458 120.919 120.570 -0.182 0.000 2.533 173 I HA 0.171 4.341 4.170 -0.000 0.000 0.284 173 I C -1.690 174.170 176.117 -0.427 0.000 1.109 173 I CA -1.725 59.358 61.300 -0.362 0.000 1.412 173 I CB 0.481 38.403 38.000 -0.130 0.000 1.396 173 I HN 0.132 nan 8.210 nan 0.000 0.543 174 P HA 0.009 nan 4.420 nan 0.000 0.262 174 P C 0.842 177.989 177.300 -0.256 0.000 1.182 174 P CA 0.724 63.581 63.100 -0.405 0.000 0.761 174 P CB 0.574 32.040 31.700 -0.390 0.000 0.795 175 G N 2.118 110.786 108.800 -0.220 0.000 2.234 175 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 175 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 175 G C 0.206 175.025 174.900 -0.135 0.000 0.987 175 G CA 0.072 45.075 45.100 -0.162 0.000 0.625 175 G HN 0.641 nan 8.290 nan 0.000 0.532 176 D N 1.415 121.728 120.400 -0.144 0.000 2.339 176 D HA 0.410 5.050 4.640 -0.000 0.000 0.256 176 D C -0.077 176.158 176.300 -0.108 0.000 1.214 176 D CA -1.584 52.349 54.000 -0.111 0.000 0.877 176 D CB 1.404 42.139 40.800 -0.107 0.000 1.111 176 D HN 0.209 nan 8.370 nan 0.000 0.478 177 P HA -0.019 nan 4.420 nan 0.000 0.236 177 P C 0.116 177.364 177.300 -0.087 0.000 1.177 177 P CA 0.105 63.155 63.100 -0.083 0.000 0.773 177 P CB 0.439 32.100 31.700 -0.065 0.000 0.878 178 R N 1.745 122.196 120.500 -0.082 0.000 2.570 178 R HA 0.024 4.363 4.340 -0.000 0.000 0.277 178 R C 0.272 176.506 176.300 -0.111 0.000 1.039 178 R CA 0.178 56.227 56.100 -0.084 0.000 1.065 178 R CB -0.343 29.919 30.300 -0.062 0.000 0.964 178 R HN 0.130 nan 8.270 nan 0.000 0.428 179 D N 0.503 120.816 120.400 -0.146 0.000 2.723 179 D HA -0.161 4.479 4.640 -0.000 0.000 0.236 179 D C -0.168 176.007 176.300 -0.208 0.000 1.138 179 D CA 1.722 55.605 54.000 -0.194 0.000 0.676 179 D CB -1.011 39.716 40.800 -0.121 0.000 1.069 179 D HN 0.742 nan 8.370 nan 0.000 0.430 180 T N -3.906 110.520 114.554 -0.213 0.000 2.907 180 T HA 0.765 5.115 4.350 -0.000 0.000 0.290 180 T C -0.025 174.598 174.700 -0.128 0.000 1.066 180 T CA -0.458 61.555 62.100 -0.144 0.000 1.012 180 T CB 3.613 72.429 68.868 -0.087 0.000 1.184 180 T HN 0.053 nan 8.240 nan 0.000 0.522 181 T N 0.003 114.572 114.554 0.025 0.000 2.711 181 T HA 0.676 5.026 4.350 -0.000 0.000 0.302 181 T C -1.068 173.779 174.700 0.245 0.000 1.373 181 T CA -0.215 61.961 62.100 0.127 0.000 1.000 181 T CB 1.346 70.340 68.868 0.211 0.000 1.483 181 T HN 1.255 nan 8.240 nan 0.000 0.499 182 T N 0.475 115.168 114.554 0.231 0.000 2.925 182 T HA 0.579 4.929 4.350 -0.000 0.000 0.285 182 T C -2.154 172.670 174.700 0.206 0.000 1.021 182 T CA -1.751 60.503 62.100 0.256 0.000 1.042 182 T CB 1.354 70.319 68.868 0.161 0.000 1.037 182 T HN 0.262 nan 8.240 nan 0.000 0.481 183 P HA -0.060 nan 4.420 nan 0.000 0.215 183 P C 1.697 178.981 177.300 -0.026 0.000 1.153 183 P CA 0.781 63.847 63.100 -0.058 0.000 0.853 183 P CB 0.090 31.726 31.700 -0.107 0.000 0.788 184 R N -0.122 120.393 120.500 0.025 0.000 2.083 184 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 184 R C 2.045 178.359 176.300 0.024 0.000 1.137 184 R CA 1.870 57.980 56.100 0.017 0.000 0.951 184 R CB -0.859 29.458 30.300 0.029 0.000 0.851 184 R HN 0.070 nan 8.270 nan 0.000 0.434 185 A N 0.542 123.395 122.820 0.055 0.000 1.898 185 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 185 A C 2.049 179.675 177.584 0.070 0.000 1.181 185 A CA 1.396 53.474 52.037 0.067 0.000 0.620 185 A CB -0.409 18.654 19.000 0.103 0.000 0.819 185 A HN 0.382 nan 8.150 nan 0.000 0.442 186 M N 0.039 119.690 119.600 0.084 0.000 2.175 186 M HA 0.043 4.523 4.480 -0.000 0.000 0.264 186 M C 2.135 178.440 176.300 0.009 0.000 1.063 186 M CA 1.410 56.760 55.300 0.082 0.000 1.119 186 M CB -0.609 32.052 32.600 0.101 0.000 1.377 186 M HN 0.389 nan 8.290 nan 0.000 0.415 187 A N -0.863 121.938 122.820 -0.032 0.000 1.898 187 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 187 A C 2.070 179.633 177.584 -0.034 0.000 1.181 187 A CA 1.872 53.877 52.037 -0.052 0.000 0.620 187 A CB -0.851 18.110 19.000 -0.065 0.000 0.819 187 A HN 0.551 nan 8.150 nan 0.000 0.442 188 Q N -0.288 119.501 119.800 -0.019 0.000 2.084 188 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 188 Q C 1.996 177.985 176.000 -0.019 0.000 0.978 188 Q CA 2.611 58.403 55.803 -0.018 0.000 0.844 188 Q CB -0.990 27.743 28.738 -0.008 0.000 0.898 188 Q HN 0.529 nan 8.270 nan 0.000 0.426 189 T N 0.710 115.258 114.554 -0.009 0.000 2.777 189 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 189 T C 1.538 176.234 174.700 -0.007 0.000 1.040 189 T CA 1.107 63.197 62.100 -0.017 0.000 1.141 189 T CB -0.333 68.528 68.868 -0.011 0.000 0.868 189 T HN 0.249 nan 8.240 nan 0.000 0.444 190 L N 1.404 122.627 121.223 -0.000 0.000 2.083 190 L HA 0.042 4.382 4.340 -0.000 0.000 0.209 190 L C 2.459 179.316 176.870 -0.022 0.000 1.083 190 L CA 1.683 56.523 54.840 0.001 0.000 0.752 190 L CB -0.505 41.549 42.059 -0.009 0.000 0.899 190 L HN 0.082 nan 8.230 nan 0.000 0.433 191 R N -1.288 119.188 120.500 -0.040 0.000 2.073 191 R HA -0.163 4.177 4.340 -0.000 0.000 0.234 191 R C 2.198 178.472 176.300 -0.043 0.000 1.134 191 R CA 1.441 57.508 56.100 -0.054 0.000 0.952 191 R CB -0.162 30.105 30.300 -0.056 0.000 0.850 191 R HN 0.428 nan 8.270 nan 0.000 0.433 192 Q N 0.540 120.320 119.800 -0.032 0.000 2.135 192 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 192 Q C 2.249 178.234 176.000 -0.024 0.000 0.981 192 Q CA 1.348 57.133 55.803 -0.031 0.000 0.856 192 Q CB -0.161 28.558 28.738 -0.032 0.000 0.902 192 Q HN 0.444 nan 8.270 nan 0.000 0.425 193 L N 0.149 121.373 121.223 0.001 0.000 2.109 193 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 193 L C 2.401 179.285 176.870 0.024 0.000 1.086 193 L CA 1.681 56.544 54.840 0.038 0.000 0.760 193 L CB -0.473 41.634 42.059 0.080 0.000 0.910 193 L HN 0.313 nan 8.230 nan 0.000 0.437 194 T N -4.143 110.418 114.554 0.012 0.000 3.015 194 T HA 0.166 4.516 4.350 -0.000 0.000 0.250 194 T C 1.483 176.192 174.700 0.015 0.000 1.057 194 T CA 0.135 62.253 62.100 0.031 0.000 1.066 194 T CB 0.230 69.129 68.868 0.051 0.000 0.959 194 T HN 0.184 nan 8.240 nan 0.000 0.488 195 L N -0.205 120.995 121.223 -0.039 0.000 2.840 195 L HA 0.503 4.843 4.340 -0.000 0.000 0.249 195 L C 1.669 178.454 176.870 -0.142 0.000 1.119 195 L CA -0.110 54.697 54.840 -0.054 0.000 0.930 195 L CB 0.282 42.310 42.059 -0.052 0.000 1.295 195 L HN 0.389 nan 8.230 nan 0.000 0.534 196 G N -1.454 107.247 108.800 -0.165 0.000 2.849 196 G HA2 0.224 4.184 3.960 -0.000 0.000 0.174 196 G HA3 0.224 4.184 3.960 -0.000 0.000 0.174 196 G C -0.056 174.547 174.900 -0.496 0.000 1.370 196 G CA -0.214 44.749 45.100 -0.228 0.000 1.040 196 G HN 0.177 nan 8.290 nan 0.000 0.582 197 H N -0.219 118.859 119.070 0.013 0.000 2.575 197 H HA 0.345 4.901 4.556 -0.000 0.000 0.256 197 H C 1.717 177.057 175.328 0.020 0.000 1.162 197 H CA 0.249 56.307 56.048 0.017 0.000 0.969 197 H CB 0.735 30.503 29.762 0.010 0.000 1.796 197 H HN 0.430 nan 8.280 nan 0.000 0.607 198 A N 0.634 123.489 122.820 0.058 0.000 2.015 198 A HA 0.047 4.367 4.320 -0.000 0.000 0.219 198 A C 1.074 178.726 177.584 0.114 0.000 1.163 198 A CA 0.814 52.883 52.037 0.054 0.000 0.646 198 A CB 0.084 19.093 19.000 0.014 0.000 0.806 198 A HN 0.210 nan 8.150 nan 0.000 0.448 199 L N -1.935 119.351 121.223 0.106 0.000 2.303 199 L HA 0.590 4.930 4.340 -0.000 0.000 0.266 199 L C 0.910 177.834 176.870 0.091 0.000 1.011 199 L CA -0.978 53.929 54.840 0.112 0.000 0.818 199 L CB 1.521 43.636 42.059 0.092 0.000 1.326 199 L HN 0.232 nan 8.230 nan 0.000 0.435 200 G N -0.407 108.439 108.800 0.077 0.000 2.594 200 G HA2 0.036 3.996 3.960 -0.000 0.000 0.243 200 G HA3 0.036 3.996 3.960 -0.000 0.000 0.243 200 G C 0.577 175.508 174.900 0.051 0.000 1.229 200 G CA -0.143 44.999 45.100 0.069 0.000 0.843 200 G HN 0.888 nan 8.290 nan 0.000 0.578 201 E N -0.022 120.213 120.200 0.060 0.000 2.070 201 E HA -0.194 4.156 4.350 -0.000 0.000 0.197 201 E C 2.357 178.953 176.600 -0.007 0.000 1.004 201 E CA 1.928 58.350 56.400 0.037 0.000 0.805 201 E CB -0.113 29.614 29.700 0.046 0.000 0.744 201 E HN 0.506 nan 8.360 nan 0.000 0.451 202 T N 0.387 114.931 114.554 -0.017 0.000 2.821 202 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 202 T C 1.707 176.359 174.700 -0.080 0.000 1.046 202 T CA 1.413 63.483 62.100 -0.050 0.000 1.139 202 T CB -0.115 68.726 68.868 -0.045 0.000 0.871 202 T HN 0.173 nan 8.240 nan 0.000 0.454 203 Q N 0.565 120.332 119.800 -0.055 0.000 2.123 203 Q HA 0.123 4.463 4.340 -0.000 0.000 0.199 203 Q C 2.299 178.258 176.000 -0.068 0.000 0.966 203 Q CA 0.919 56.680 55.803 -0.069 0.000 0.845 203 Q CB -0.217 28.510 28.738 -0.018 0.000 0.907 203 Q HN 0.397 nan 8.270 nan 0.000 0.439 204 R N 0.235 120.714 120.500 -0.034 0.000 2.073 204 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 204 R C 1.998 178.268 176.300 -0.049 0.000 1.134 204 R CA 1.384 57.469 56.100 -0.024 0.000 0.952 204 R CB -0.319 29.963 30.300 -0.030 0.000 0.850 204 R HN 0.277 nan 8.270 nan 0.000 0.433 205 A N 0.595 123.370 122.820 -0.075 0.000 1.902 205 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 205 A C 2.077 179.554 177.584 -0.179 0.000 1.181 205 A CA 1.661 53.638 52.037 -0.101 0.000 0.623 205 A CB -0.598 18.342 19.000 -0.100 0.000 0.818 205 A HN 0.481 nan 8.150 nan 0.000 0.443 206 Q N -0.591 119.046 119.800 -0.272 0.000 2.084 206 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 206 Q C 1.841 177.489 176.000 -0.586 0.000 0.978 206 Q CA 1.771 57.241 55.803 -0.555 0.000 0.844 206 Q CB -0.516 27.810 28.738 -0.687 0.000 0.898 206 Q HN 0.515 nan 8.270 nan 0.000 0.426 207 L N -0.648 120.431 121.223 -0.240 0.000 2.046 207 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 207 L C 2.072 179.004 176.870 0.103 0.000 1.077 207 L CA 1.488 56.364 54.840 0.061 0.000 0.747 207 L CB -0.664 41.465 42.059 0.115 0.000 0.896 207 L HN 0.156 nan 8.230 nan 0.000 0.432 208 V N -0.783 119.155 119.914 0.041 0.000 2.343 208 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 208 V C 2.479 178.613 176.094 0.067 0.000 1.051 208 V CA 2.172 64.535 62.300 0.104 0.000 1.036 208 V CB -0.943 30.941 31.823 0.102 0.000 0.654 208 V HN 0.537 nan 8.190 nan 0.000 0.451 209 T N -1.200 113.325 114.554 -0.048 0.000 2.720 209 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 209 T C 1.586 176.337 174.700 0.085 0.000 1.037 209 T CA 1.655 63.720 62.100 -0.058 0.000 1.144 209 T CB -0.308 68.445 68.868 -0.190 0.000 0.864 209 T HN 0.511 nan 8.240 nan 0.000 0.444 210 W N 1.316 122.634 121.300 0.030 0.000 2.355 210 W HA 0.110 4.770 4.660 -0.000 0.000 0.309 210 W C 2.125 178.664 176.519 0.035 0.000 1.206 210 W CA 0.215 57.578 57.345 0.031 0.000 1.284 210 W CB -1.328 28.152 29.460 0.034 0.000 1.145 210 W HN 0.288 nan 8.180 nan 0.000 0.502 211 L N 0.230 121.627 121.223 0.290 0.000 2.046 211 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 211 L C 2.357 179.323 176.870 0.161 0.000 1.077 211 L CA 1.456 56.414 54.840 0.198 0.000 0.747 211 L CB -0.838 41.336 42.059 0.192 0.000 0.896 211 L HN -0.095 nan 8.230 nan 0.000 0.432 212 K N -0.181 120.315 120.400 0.159 0.000 2.283 212 K HA -0.072 4.248 4.320 -0.000 0.000 0.202 212 K C 1.748 178.401 176.600 0.088 0.000 1.048 212 K CA 1.021 57.382 56.287 0.124 0.000 0.948 212 K CB -0.216 32.328 32.500 0.073 0.000 0.742 212 K HN 0.373 nan 8.250 nan 0.000 0.458 213 G N 0.939 109.798 108.800 0.099 0.000 3.141 213 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.218 213 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.218 213 G C 0.127 175.034 174.900 0.011 0.000 1.170 213 G CA -0.417 44.724 45.100 0.069 0.000 0.769 213 G HN 0.161 nan 8.290 nan 0.000 0.546 214 N N 0.888 119.597 118.700 0.016 0.000 2.407 214 N HA 0.047 4.787 4.740 -0.000 0.000 0.250 214 N C 1.668 177.118 175.510 -0.099 0.000 1.236 214 N CA 1.061 54.080 53.050 -0.052 0.000 0.879 214 N CB 1.067 39.554 38.487 0.001 0.000 1.088 214 N HN 0.044 nan 8.380 nan 0.000 0.450 215 T N -2.259 112.170 114.554 -0.209 0.000 3.040 215 T HA 0.008 4.358 4.350 -0.000 0.000 0.250 215 T C 1.207 175.858 174.700 -0.082 0.000 1.058 215 T CA 0.673 62.667 62.100 -0.177 0.000 0.988 215 T CB -0.470 68.197 68.868 -0.335 0.000 0.993 215 T HN 0.557 nan 8.240 nan 0.000 0.519 216 T N -1.805 112.713 114.554 -0.060 0.000 3.145 216 T HA 0.424 4.773 4.350 -0.000 0.000 0.255 216 T C 1.612 176.317 174.700 0.009 0.000 1.039 216 T CA 0.227 62.324 62.100 -0.005 0.000 0.928 216 T CB 0.045 68.924 68.868 0.019 0.000 1.029 216 T HN 0.362 nan 8.240 nan 0.000 0.554 217 G N 0.063 108.868 108.800 0.008 0.000 3.192 217 G HA2 0.493 4.453 3.960 -0.000 0.000 0.239 217 G HA3 0.493 4.453 3.960 -0.000 0.000 0.239 217 G C 1.393 176.302 174.900 0.016 0.000 1.084 217 G CA 0.220 45.331 45.100 0.019 0.000 0.784 217 G HN 0.551 nan 8.290 nan 0.000 0.540 218 A N 0.767 123.594 122.820 0.012 0.000 2.070 218 A HA 0.346 4.666 4.320 -0.000 0.000 0.220 218 A C 2.394 179.978 177.584 0.000 0.000 1.159 218 A CA 1.886 53.928 52.037 0.008 0.000 0.656 218 A CB -0.151 18.854 19.000 0.008 0.000 0.800 218 A HN 0.672 nan 8.150 nan 0.000 0.453 219 A N -1.319 121.501 122.820 0.001 0.000 2.308 219 A HA 0.444 4.763 4.320 -0.000 0.000 0.217 219 A C 1.656 179.233 177.584 -0.012 0.000 1.216 219 A CA 0.877 52.910 52.037 -0.007 0.000 0.864 219 A CB -0.057 18.941 19.000 -0.002 0.000 0.902 219 A HN 0.396 nan 8.150 nan 0.000 0.499 220 S N -0.635 115.062 115.700 -0.005 0.000 4.041 220 S HA 0.321 4.791 4.470 -0.000 0.000 0.194 220 S C 1.493 176.083 174.600 -0.017 0.000 0.942 220 S CA -0.029 58.167 58.200 -0.007 0.000 1.642 220 S CB -0.480 62.727 63.200 0.013 0.000 0.665 220 S HN 0.296 nan 8.310 nan 0.000 0.698 221 I N 1.600 122.165 120.570 -0.009 0.000 2.194 221 I HA -0.244 3.926 4.170 -0.000 0.000 0.246 221 I C 2.736 178.844 176.117 -0.014 0.000 1.093 221 I CA 1.403 62.694 61.300 -0.015 0.000 1.355 221 I CB -0.289 37.709 38.000 -0.004 0.000 1.046 221 I HN 0.289 nan 8.210 nan 0.000 0.413 222 R N 1.493 121.994 120.500 0.003 0.000 2.117 222 R HA -0.172 4.168 4.340 -0.000 0.000 0.243 222 R C 2.120 178.401 176.300 -0.031 0.000 1.143 222 R CA 1.873 57.977 56.100 0.005 0.000 0.968 222 R CB -0.794 29.520 30.300 0.024 0.000 0.863 222 R HN 0.410 nan 8.270 nan 0.000 0.444 223 A N -1.020 121.779 122.820 -0.036 0.000 2.125 223 A HA 0.021 4.341 4.320 -0.000 0.000 0.219 223 A C 1.978 179.514 177.584 -0.080 0.000 1.156 223 A CA 1.428 53.434 52.037 -0.051 0.000 0.671 223 A CB -0.704 18.271 19.000 -0.042 0.000 0.794 223 A HN 0.482 nan 8.150 nan 0.000 0.459 224 G N -1.113 107.634 108.800 -0.089 0.000 3.088 224 G HA2 0.427 4.387 3.960 -0.000 0.000 0.217 224 G HA3 0.427 4.387 3.960 -0.000 0.000 0.217 224 G C 0.322 175.110 174.900 -0.187 0.000 1.159 224 G CA -0.225 44.804 45.100 -0.119 0.000 0.760 224 G HN 0.360 nan 8.290 nan 0.000 0.550 225 L N 0.277 121.370 121.223 -0.217 0.000 2.334 225 L HA 0.435 4.775 4.340 -0.000 0.000 0.272 225 L C -2.326 174.235 176.870 -0.515 0.000 1.020 225 L CA -2.326 52.259 54.840 -0.426 0.000 0.812 225 L CB 1.798 43.699 42.059 -0.265 0.000 1.264 225 L HN -0.211 nan 8.230 nan 0.000 0.439 226 P HA 0.035 nan 4.420 nan 0.000 0.266 226 P C 0.476 177.541 177.300 -0.393 0.000 1.195 226 P CA 0.044 62.746 63.100 -0.662 0.000 0.768 226 P CB 0.596 31.731 31.700 -0.942 0.000 0.838 227 T N 0.293 114.742 114.554 -0.175 0.000 2.803 227 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 227 T C 1.746 176.472 174.700 0.043 0.000 1.052 227 T CA 1.988 64.058 62.100 -0.051 0.000 1.136 227 T CB -0.574 68.276 68.868 -0.029 0.000 0.864 227 T HN 0.593 nan 8.240 nan 0.000 0.467 228 S N -0.469 115.286 115.700 0.092 0.000 2.447 228 S HA -0.058 4.412 4.470 -0.000 0.000 0.233 228 S C 0.436 175.249 174.600 0.356 0.000 1.006 228 S CA -0.031 58.294 58.200 0.207 0.000 0.957 228 S CB -0.534 62.805 63.200 0.231 0.000 0.773 228 S HN 0.428 nan 8.310 nan 0.000 0.507 229 W N 2.259 123.586 121.300 0.044 0.000 2.150 229 W HA 0.539 5.199 4.660 -0.000 0.000 0.341 229 W C 0.560 177.135 176.519 0.094 0.000 1.276 229 W CA -1.053 56.335 57.345 0.072 0.000 1.238 229 W CB -0.472 29.025 29.460 0.061 0.000 1.128 229 W HN -0.094 nan 8.180 nan 0.000 0.581 230 T N 1.461 116.234 114.554 0.364 0.000 2.925 230 T HA 0.833 5.183 4.350 -0.000 0.000 0.285 230 T C -0.540 174.420 174.700 0.433 0.000 1.021 230 T CA -0.318 61.966 62.100 0.307 0.000 1.042 230 T CB 1.630 70.619 68.868 0.201 0.000 1.037 230 T HN 0.529 nan 8.240 nan 0.000 0.481 231 A N 0.996 124.040 122.820 0.373 0.000 2.601 231 A HA 0.854 5.174 4.320 -0.000 0.000 0.291 231 A C -0.686 177.085 177.584 0.311 0.000 1.075 231 A CA -0.648 51.610 52.037 0.369 0.000 0.671 231 A CB 1.372 20.503 19.000 0.219 0.000 1.277 231 A HN 1.074 nan 8.150 nan 0.000 0.417 232 G N 0.439 109.413 108.800 0.289 0.000 2.591 232 G HA2 0.695 4.655 3.960 -0.000 0.000 0.306 232 G HA3 0.695 4.655 3.960 -0.000 0.000 0.306 232 G C -1.490 173.490 174.900 0.133 0.000 1.334 232 G CA 0.106 45.338 45.100 0.219 0.000 0.981 232 G HN 1.104 nan 8.290 nan 0.000 0.491 233 D N -0.084 120.379 120.400 0.105 0.000 2.615 233 D HA 0.565 5.205 4.640 -0.000 0.000 0.267 233 D C -1.407 174.939 176.300 0.076 0.000 1.236 233 D CA -0.868 53.178 54.000 0.076 0.000 0.839 233 D CB 2.606 43.442 40.800 0.059 0.000 1.380 233 D HN 0.330 nan 8.370 nan 0.000 0.433 234 K N 0.598 121.043 120.400 0.075 0.000 2.541 234 K HA 0.405 4.725 4.320 -0.000 0.000 0.250 234 K C -0.725 175.928 176.600 0.088 0.000 0.950 234 K CA -0.322 56.013 56.287 0.081 0.000 0.805 234 K CB 1.446 34.004 32.500 0.097 0.000 1.166 234 K HN 0.591 nan 8.250 nan 0.000 0.430 235 T N -0.034 114.565 114.554 0.075 0.000 2.847 235 T HA 0.815 5.165 4.350 -0.000 0.000 0.279 235 T C 0.383 175.135 174.700 0.087 0.000 0.984 235 T CA -0.617 61.531 62.100 0.080 0.000 0.988 235 T CB 1.505 70.406 68.868 0.056 0.000 1.040 235 T HN 0.571 nan 8.240 nan 0.000 0.528 236 G N -0.723 108.128 108.800 0.085 0.000 2.706 236 G HA2 0.561 4.521 3.960 -0.000 0.000 0.297 236 G HA3 0.561 4.521 3.960 -0.000 0.000 0.297 236 G C -1.346 173.578 174.900 0.039 0.000 1.403 236 G CA -0.724 44.413 45.100 0.061 0.000 0.954 236 G HN 0.895 nan 8.290 nan 0.000 0.500 237 S N -0.494 115.213 115.700 0.010 0.000 2.541 237 S HA 0.921 5.391 4.470 -0.000 0.000 0.271 237 S C -0.113 174.481 174.600 -0.010 0.000 1.133 237 S CA 0.293 58.493 58.200 -0.000 0.000 0.876 237 S CB 1.672 64.853 63.200 -0.032 0.000 1.105 237 S HN 1.978 nan 8.310 nan 0.000 0.470 241 Y N 0.525 120.799 120.300 -0.044 0.000 4.079 241 Y HA -0.137 4.413 4.550 -0.000 0.000 0.223 241 Y C 1.241 177.100 175.900 -0.068 0.000 1.155 241 Y CA 1.523 59.587 58.100 -0.060 0.000 1.805 241 Y CB -1.670 36.744 38.460 -0.076 0.000 1.571 241 Y HN 0.791 nan 8.280 nan 0.000 0.654 242 G N 0.159 108.970 108.800 0.019 0.000 2.321 242 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.287 242 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.287 242 G C 0.240 175.176 174.900 0.060 0.000 1.018 242 G CA 0.549 45.671 45.100 0.036 0.000 0.855 242 G HN 0.572 nan 8.290 nan 0.000 0.507 243 T N 1.227 115.815 114.554 0.056 0.000 2.853 243 T HA 0.458 4.808 4.350 -0.000 0.000 0.298 243 T C 0.493 175.251 174.700 0.096 0.000 0.978 243 T CA 1.018 63.152 62.100 0.058 0.000 1.152 243 T CB 0.901 69.790 68.868 0.035 0.000 0.914 243 T HN 0.331 nan 8.240 nan 0.000 0.539 244 T N 5.513 120.173 114.554 0.176 0.000 2.965 244 T HA 0.441 4.791 4.350 -0.000 0.000 0.306 244 T C -0.448 174.379 174.700 0.213 0.000 0.991 244 T CA -0.983 61.229 62.100 0.187 0.000 1.001 244 T CB 0.763 69.777 68.868 0.245 0.000 0.984 244 T HN 0.438 nan 8.240 nan 0.000 0.446 245 N N 1.984 120.785 118.700 0.168 0.000 2.380 245 N HA 0.756 5.496 4.740 -0.000 0.000 0.290 245 N C -1.481 174.145 175.510 0.193 0.000 1.236 245 N CA -0.691 52.513 53.050 0.256 0.000 0.780 245 N CB 2.289 40.949 38.487 0.288 0.000 1.438 245 N HN 0.590 nan 8.380 nan 0.000 0.491 246 D N 0.188 120.701 120.400 0.188 0.000 2.836 246 D HA 0.441 5.080 4.640 -0.000 0.000 0.215 246 D C -1.328 174.990 176.300 0.030 0.000 1.255 246 D CA -0.468 53.590 54.000 0.097 0.000 0.822 246 D CB 1.319 42.149 40.800 0.050 0.000 1.656 246 D HN 0.496 nan 8.370 nan 0.000 0.511 247 I N -0.134 120.458 120.570 0.036 0.000 2.582 247 I HA 0.995 5.165 4.170 -0.000 0.000 0.292 247 I C -1.184 174.935 176.117 0.002 0.000 1.066 247 I CA -0.831 60.457 61.300 -0.019 0.000 1.053 247 I CB 2.023 40.023 38.000 -0.000 0.000 1.241 247 I HN 0.424 nan 8.210 nan 0.000 0.421 248 A N 4.710 127.513 122.820 -0.029 0.000 2.572 248 A HA 0.745 5.065 4.320 -0.000 0.000 0.295 248 A C -1.595 175.938 177.584 -0.085 0.000 1.072 248 A CA -0.719 51.305 52.037 -0.023 0.000 0.691 248 A CB 2.111 21.110 19.000 -0.003 0.000 1.291 248 A HN 0.876 nan 8.150 nan 0.000 0.404 249 V N 2.923 122.766 119.914 -0.119 0.000 2.398 249 V HA 0.736 4.856 4.120 -0.000 0.000 0.286 249 V C -0.915 174.900 176.094 -0.466 0.000 1.026 249 V CA -0.482 61.609 62.300 -0.348 0.000 0.868 249 V CB 0.727 32.325 31.823 -0.375 0.000 0.982 249 V HN 0.650 nan 8.190 nan 0.000 0.443 250 I N 6.579 126.820 120.570 -0.548 0.000 2.569 250 I HA 0.469 4.639 4.170 -0.000 0.000 0.296 250 I C -0.837 174.957 176.117 -0.538 0.000 1.028 250 I CA -0.447 60.664 61.300 -0.315 0.000 1.082 250 I CB 2.179 40.148 38.000 -0.050 0.000 1.264 250 I HN 0.541 nan 8.210 nan 0.000 0.429 251 W N 6.440 127.700 121.300 -0.066 0.000 2.394 251 W HA 0.348 5.008 4.660 -0.000 0.000 0.312 251 W C -2.596 173.725 176.519 -0.331 0.000 0.981 251 W CA -1.582 55.667 57.345 -0.161 0.000 1.519 251 W CB 1.199 30.604 29.460 -0.092 0.000 1.304 251 W HN 0.168 nan 8.180 nan 0.000 0.412 255 G N 3.544 112.298 108.800 -0.076 0.000 2.155 255 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.257 255 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.257 255 G C -0.112 174.745 174.900 -0.072 0.000 0.983 255 G CA 1.086 46.154 45.100 -0.053 0.000 0.676 255 G HN 0.788 nan 8.290 nan 0.000 0.528 256 R N -1.661 118.770 120.500 -0.114 0.000 2.795 256 R HA 0.830 5.170 4.340 -0.000 0.000 0.268 256 R C 0.265 176.505 176.300 -0.101 0.000 1.041 256 R CA -0.484 55.551 56.100 -0.109 0.000 0.927 256 R CB 0.457 30.671 30.300 -0.143 0.000 1.235 256 R HN 1.107 nan 8.270 nan 0.000 0.463 257 A N 1.763 124.532 122.820 -0.085 0.000 2.507 257 A HA 0.350 4.670 4.320 -0.000 0.000 0.235 257 A C -1.937 175.553 177.584 -0.156 0.000 1.070 257 A CA -0.987 51.005 52.037 -0.074 0.000 0.768 257 A CB -0.480 18.482 19.000 -0.064 0.000 1.011 257 A HN 0.614 nan 8.150 nan 0.000 0.502 258 P HA 0.352 nan 4.420 nan 0.000 0.272 258 P C -0.904 176.194 177.300 -0.337 0.000 1.240 258 P CA 0.087 62.928 63.100 -0.431 0.000 0.791 258 P CB 0.526 31.779 31.700 -0.746 0.000 0.978 259 L N 0.258 121.256 121.223 -0.374 0.000 2.354 259 L HA 0.576 4.916 4.340 -0.000 0.000 0.269 259 L C -0.161 176.555 176.870 -0.257 0.000 1.005 259 L CA -1.296 53.399 54.840 -0.242 0.000 0.819 259 L CB 2.113 44.074 42.059 -0.163 0.000 1.311 259 L HN 0.050 nan 8.230 nan 0.000 0.423 260 V N 2.987 122.795 119.914 -0.178 0.000 2.459 260 V HA 0.535 4.654 4.120 -0.000 0.000 0.295 260 V C -0.692 175.335 176.094 -0.112 0.000 1.029 260 V CA -0.525 61.681 62.300 -0.156 0.000 0.874 260 V CB 2.111 33.857 31.823 -0.130 0.000 0.985 260 V HN 0.452 nan 8.190 nan 0.000 0.438 261 L N 5.950 127.111 121.223 -0.104 0.000 2.438 261 L HA 0.757 5.097 4.340 -0.000 0.000 0.270 261 L C -0.949 175.849 176.870 -0.121 0.000 0.972 261 L CA -0.141 54.643 54.840 -0.093 0.000 0.831 261 L CB 2.148 44.171 42.059 -0.061 0.000 1.273 261 L HN 0.416 nan 8.230 nan 0.000 0.405 262 V N 3.156 122.967 119.914 -0.171 0.000 2.448 262 V HA 0.720 4.840 4.120 -0.000 0.000 0.295 262 V C -0.331 175.570 176.094 -0.321 0.000 1.025 262 V CA -0.233 61.886 62.300 -0.302 0.000 0.859 262 V CB 2.061 33.636 31.823 -0.413 0.000 0.988 262 V HN 0.861 nan 8.190 nan 0.000 0.431 263 T N 1.816 116.182 114.554 -0.314 0.000 2.906 263 T HA 0.620 4.970 4.350 -0.000 0.000 0.302 263 T C -1.052 173.590 174.700 -0.097 0.000 1.002 263 T CA -0.500 61.485 62.100 -0.193 0.000 0.988 263 T CB 0.437 69.257 68.868 -0.081 0.000 0.972 263 T HN 0.416 nan 8.240 nan 0.000 0.447 264 Y N 2.446 122.606 120.300 -0.232 0.000 2.409 264 Y HA 0.714 5.264 4.550 -0.000 0.000 0.339 264 Y C -0.713 175.127 175.900 -0.100 0.000 1.033 264 Y CA -1.632 56.293 58.100 -0.292 0.000 1.094 264 Y CB 2.002 40.016 38.460 -0.743 0.000 1.210 264 Y HN 0.727 nan 8.280 nan 0.000 0.456 265 F N 1.962 121.978 119.950 0.110 0.000 2.588 265 F HA 0.512 5.038 4.527 -0.000 0.000 0.314 265 F C -0.950 174.974 175.800 0.207 0.000 1.134 265 F CA -0.426 57.678 58.000 0.174 0.000 0.961 265 F CB 2.096 41.162 39.000 0.109 0.000 1.239 265 F HN 0.347 nan 8.300 nan 0.000 0.448 266 T N 4.554 118.852 114.554 -0.427 0.000 2.883 266 T HA 0.577 4.927 4.350 -0.000 0.000 0.301 266 T C -1.444 172.912 174.700 -0.574 0.000 1.158 266 T CA -0.358 61.526 62.100 -0.360 0.000 1.007 266 T CB 1.790 70.616 68.868 -0.070 0.000 1.186 266 T HN 0.748 nan 8.240 nan 0.000 0.499 267 Q N 1.865 121.486 119.800 -0.299 0.000 2.445 267 Q HA 0.405 4.745 4.340 -0.000 0.000 0.281 267 Q C -1.864 174.148 176.000 0.019 0.000 1.101 267 Q CA -2.187 53.504 55.803 -0.187 0.000 0.833 267 Q CB 1.827 30.489 28.738 -0.127 0.000 1.416 267 Q HN 0.328 nan 8.270 nan 0.000 0.451 268 P HA -0.125 nan 4.420 nan 0.000 0.217 268 P C -0.382 177.038 177.300 0.199 0.000 1.151 268 P CA 1.164 64.320 63.100 0.093 0.000 0.828 268 P CB 0.372 32.098 31.700 0.043 0.000 0.788 269 Q N -0.019 119.841 119.800 0.100 0.000 2.267 269 Q HA 0.082 4.422 4.340 -0.000 0.000 0.255 269 Q C 1.142 177.000 176.000 -0.236 0.000 0.923 269 Q CA 0.081 55.879 55.803 -0.008 0.000 0.925 269 Q CB 1.051 29.770 28.738 -0.031 0.000 1.195 269 Q HN 0.245 nan 8.270 nan 0.000 0.417 270 Q N 2.777 122.225 119.800 -0.587 0.000 2.152 270 Q HA -0.232 4.108 4.340 -0.000 0.000 0.206 270 Q C 0.372 176.036 176.000 -0.561 0.000 0.985 270 Q CA 2.133 57.217 55.803 -1.198 0.000 0.863 270 Q CB 0.278 28.494 28.738 -0.870 0.000 0.904 270 Q HN 0.673 nan 8.270 nan 0.000 0.422 271 N N -0.632 117.890 118.700 -0.298 0.000 2.295 271 N HA 0.220 4.960 4.740 -0.000 0.000 0.221 271 N C -0.534 174.914 175.510 -0.103 0.000 1.129 271 N CA 0.355 53.303 53.050 -0.170 0.000 0.836 271 N CB 0.319 38.735 38.487 -0.119 0.000 1.040 271 N HN 0.212 nan 8.380 nan 0.000 0.494 272 A N 0.875 123.638 122.820 -0.096 0.000 2.507 272 A HA 0.182 4.502 4.320 -0.000 0.000 0.235 272 A C 0.688 178.268 177.584 -0.007 0.000 1.070 272 A CA -0.445 51.575 52.037 -0.028 0.000 0.768 272 A CB 0.018 19.017 19.000 -0.001 0.000 1.011 272 A HN 0.646 nan 8.150 nan 0.000 0.502 273 E N 1.105 121.317 120.200 0.021 0.000 2.345 273 E HA 0.411 4.760 4.350 -0.000 0.000 0.259 273 E C 0.099 176.736 176.600 0.063 0.000 1.117 273 E CA -0.169 56.248 56.400 0.029 0.000 0.913 273 E CB 0.608 30.325 29.700 0.029 0.000 1.057 273 E HN 0.491 nan 8.360 nan 0.000 0.432 274 S N 0.586 116.318 115.700 0.053 0.000 2.562 274 S HA 0.105 4.575 4.470 -0.000 0.000 0.281 274 S C -0.121 174.534 174.600 0.092 0.000 1.333 274 S CA -0.597 57.648 58.200 0.075 0.000 1.052 274 S CB 0.217 63.441 63.200 0.040 0.000 0.884 274 S HN 0.473 nan 8.310 nan 0.000 0.506 275 R N 3.942 124.523 120.500 0.135 0.000 2.738 275 R HA 0.234 4.574 4.340 -0.000 0.000 0.280 275 R C 0.860 177.162 176.300 0.004 0.000 1.456 275 R CA -0.232 55.914 56.100 0.076 0.000 1.612 275 R CB 0.036 30.410 30.300 0.124 0.000 1.286 275 R HN 0.728 nan 8.270 nan 0.000 0.660 276 R N 0.655 121.161 120.500 0.010 0.000 2.193 276 R HA -0.128 4.212 4.340 -0.000 0.000 0.229 276 R C 1.371 177.639 176.300 -0.052 0.000 1.110 276 R CA 1.721 57.816 56.100 -0.009 0.000 0.988 276 R CB 0.131 30.433 30.300 0.004 0.000 0.871 276 R HN 0.437 nan 8.270 nan 0.000 0.458 277 D N 0.392 120.754 120.400 -0.063 0.000 2.218 277 D HA -0.124 4.516 4.640 -0.000 0.000 0.204 277 D C 1.671 177.890 176.300 -0.134 0.000 0.976 277 D CA 0.954 54.905 54.000 -0.082 0.000 0.853 277 D CB -0.198 40.562 40.800 -0.068 0.000 0.939 277 D HN 0.082 nan 8.370 nan 0.000 0.481 278 V N 1.289 121.075 119.914 -0.213 0.000 2.427 278 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 278 V C 2.808 178.752 176.094 -0.250 0.000 1.051 278 V CA 1.040 63.139 62.300 -0.336 0.000 1.048 278 V CB -0.481 30.889 31.823 -0.755 0.000 0.666 278 V HN 0.217 nan 8.190 nan 0.000 0.456 279 L N 0.152 121.269 121.223 -0.177 0.000 2.056 279 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 279 L C 2.757 179.574 176.870 -0.089 0.000 1.078 279 L CA 1.534 56.313 54.840 -0.102 0.000 0.749 279 L CB -0.927 41.108 42.059 -0.040 0.000 0.901 279 L HN 0.354 nan 8.230 nan 0.000 0.433 280 A N -0.366 122.403 122.820 -0.085 0.000 1.902 280 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 280 A C 2.530 180.059 177.584 -0.090 0.000 1.181 280 A CA 2.019 54.010 52.037 -0.077 0.000 0.623 280 A CB -0.546 18.413 19.000 -0.068 0.000 0.818 280 A HN 0.359 nan 8.150 nan 0.000 0.443 281 S N -0.204 115.432 115.700 -0.106 0.000 2.383 281 S HA -0.012 4.458 4.470 -0.000 0.000 0.227 281 S C 2.300 176.836 174.600 -0.106 0.000 1.026 281 S CA 1.097 59.233 58.200 -0.106 0.000 0.981 281 S CB -0.420 62.709 63.200 -0.119 0.000 0.818 281 S HN 0.787 nan 8.310 nan 0.000 0.472 282 A N 1.652 124.403 122.820 -0.115 0.000 1.877 282 A HA 0.089 4.409 4.320 -0.000 0.000 0.216 282 A C 2.363 179.900 177.584 -0.079 0.000 1.186 282 A CA 1.722 53.697 52.037 -0.104 0.000 0.620 282 A CB -1.119 17.820 19.000 -0.103 0.000 0.822 282 A HN 0.514 nan 8.150 nan 0.000 0.443 283 A N -0.481 122.295 122.820 -0.072 0.000 1.933 283 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 283 A C 2.235 179.779 177.584 -0.067 0.000 1.175 283 A CA 1.769 53.772 52.037 -0.056 0.000 0.628 283 A CB -0.477 18.492 19.000 -0.052 0.000 0.814 283 A HN 0.556 nan 8.150 nan 0.000 0.444 284 R N -0.421 120.027 120.500 -0.087 0.000 2.081 284 R HA -0.063 4.277 4.340 -0.000 0.000 0.235 284 R C 1.915 178.169 176.300 -0.077 0.000 1.131 284 R CA 1.656 57.697 56.100 -0.099 0.000 0.960 284 R CB -0.379 29.863 30.300 -0.098 0.000 0.856 284 R HN 0.550 nan 8.270 nan 0.000 0.436 285 I N 0.564 121.092 120.570 -0.069 0.000 2.226 285 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 285 I C 2.037 178.134 176.117 -0.035 0.000 1.100 285 I CA 0.878 62.144 61.300 -0.056 0.000 1.374 285 I CB -0.159 37.798 38.000 -0.071 0.000 1.057 285 I HN 0.224 nan 8.210 nan 0.000 0.413 286 I N 0.899 121.452 120.570 -0.028 0.000 2.179 286 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 286 I C 2.829 178.968 176.117 0.038 0.000 1.088 286 I CA 1.738 63.039 61.300 0.002 0.000 1.357 286 I CB -1.473 36.530 38.000 0.005 0.000 1.051 286 I HN 0.187 nan 8.210 nan 0.000 0.409 287 A N 0.829 123.667 122.820 0.029 0.000 1.933 287 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 287 A C 1.175 178.794 177.584 0.058 0.000 1.175 287 A CA 0.735 52.814 52.037 0.070 0.000 0.628 287 A CB -0.791 18.125 19.000 -0.140 0.000 0.814 287 A HN 0.669 nan 8.150 nan 0.000 0.444 288 E N -1.370 118.831 120.200 0.001 0.000 2.331 288 E HA 0.429 4.779 4.350 -0.000 0.000 0.272 288 E C 0.752 177.365 176.600 0.022 0.000 1.036 288 E CA -0.302 56.097 56.400 -0.001 0.000 0.864 288 E CB 0.561 30.243 29.700 -0.029 0.000 1.035 288 E HN 0.752 nan 8.360 nan 0.000 0.408 289 G N 2.002 110.820 108.800 0.029 0.000 2.175 289 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.265 289 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.265 289 G C 0.184 175.107 174.900 0.038 0.000 0.979 289 G CA 0.443 45.559 45.100 0.026 0.000 0.663 289 G HN 0.547 nan 8.290 nan 0.000 0.533 290 L N 0.000 121.261 121.223 0.064 0.000 2.949 290 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 290 L CA 0.000 54.883 54.840 0.072 0.000 0.813 290 L CB 0.000 42.144 42.059 0.141 0.000 0.961 290 L HN 0.000 nan 8.230 nan 0.000 0.502