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 3n5q_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPXXXXXXXX DATA SEQUENCE XXXXXAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW 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 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 67 G C 0.000 174.789 174.900 -0.185 0.000 0.946 67 G CA 0.000 45.044 45.100 -0.093 0.000 0.502 68 P HA 0.294 nan 4.420 nan 0.000 0.270 68 P C 0.172 177.340 177.300 -0.220 0.000 1.227 68 P CA -0.239 62.673 63.100 -0.313 0.000 0.788 68 P CB 0.605 32.067 31.700 -0.397 0.000 0.926 69 K N 0.464 120.593 120.400 -0.451 0.000 2.417 69 K HA 0.163 4.486 4.320 0.005 0.000 0.196 69 K C 0.073 176.358 176.600 -0.525 0.000 1.023 69 K CA 0.147 56.156 56.287 -0.463 0.000 1.122 69 K CB -0.192 32.029 32.500 -0.466 0.000 0.850 69 K HN 0.396 nan 8.250 nan 0.000 0.521 70 F N 2.194 122.181 119.950 0.062 0.000 2.403 70 F HA 0.306 4.837 4.527 0.005 0.000 0.326 70 F C -1.730 174.177 175.800 0.179 0.000 1.081 70 F CA -3.054 54.999 58.000 0.087 0.000 1.041 70 F CB -0.101 38.945 39.000 0.077 0.000 1.234 70 F HN -0.153 nan 8.300 nan 0.000 0.503 71 P HA -0.021 nan 4.420 nan 0.000 0.264 71 P C -0.665 176.701 177.300 0.109 0.000 1.183 71 P CA -0.053 63.152 63.100 0.174 0.000 0.763 71 P CB 0.673 32.450 31.700 0.128 0.000 0.807 72 R N 2.085 122.560 120.500 -0.041 0.000 2.404 72 R HA 0.438 4.781 4.340 0.005 0.000 0.291 72 R C -0.987 175.177 176.300 -0.226 0.000 1.025 72 R CA -0.611 55.243 56.100 -0.410 0.000 0.991 72 R CB 0.688 30.788 30.300 -0.333 0.000 1.053 72 R HN 0.256 nan 8.270 nan 0.000 0.479 73 V N 4.904 124.650 119.914 -0.280 0.000 2.443 73 V HA 0.209 4.332 4.120 0.005 0.000 0.272 73 V C -0.314 175.713 176.094 -0.112 0.000 1.002 73 V CA -0.822 61.414 62.300 -0.108 0.000 0.840 73 V CB 0.974 32.772 31.823 -0.041 0.000 1.042 73 V HN 0.733 nan 8.190 nan 0.000 0.446 74 K N 3.281 123.619 120.400 -0.104 0.000 2.270 74 K HA 0.262 4.585 4.320 0.005 0.000 0.276 74 K C 0.193 176.737 176.600 -0.094 0.000 1.023 74 K CA -0.261 55.895 56.287 -0.218 0.000 0.955 74 K CB 0.677 32.879 32.500 -0.497 0.000 0.975 74 K HN 0.679 nan 8.250 nan 0.000 0.471 75 N N 4.196 122.823 118.700 -0.123 0.000 2.469 75 N HA 0.068 4.811 4.740 0.005 0.000 0.253 75 N C -0.324 175.176 175.510 -0.016 0.000 0.970 75 N CA -0.355 52.721 53.050 0.043 0.000 0.940 75 N CB 0.476 39.004 38.487 0.069 0.000 1.128 75 N HN 0.637 nan 8.380 nan 0.000 0.503 76 W N 2.262 123.648 121.300 0.143 0.000 2.800 76 W HA 0.104 4.767 4.660 0.004 0.000 0.249 76 W C 2.075 178.651 176.519 0.095 0.000 1.294 76 W CA -0.041 57.379 57.345 0.126 0.000 1.402 76 W CB 0.274 29.829 29.460 0.159 0.000 1.126 76 W HN 0.664 nan 8.180 nan 0.000 0.652 77 E N 0.531 120.871 120.200 0.234 0.000 2.030 77 E HA -0.123 4.230 4.350 0.005 0.000 0.189 77 E C 1.860 178.483 176.600 0.039 0.000 0.974 77 E CA 1.008 57.444 56.400 0.059 0.000 0.807 77 E CB -0.396 29.274 29.700 -0.050 0.000 0.771 77 E HN 0.198 nan 8.360 nan 0.000 0.451 78 L N -0.440 120.805 121.223 0.037 0.000 2.395 78 L HA 0.168 4.511 4.340 0.005 0.000 0.218 78 L C 1.673 178.530 176.870 -0.022 0.000 1.130 78 L CA 0.633 55.479 54.840 0.009 0.000 0.826 78 L CB 0.099 42.167 42.059 0.016 0.000 0.941 78 L HN 0.556 nan 8.230 nan 0.000 0.451 79 G N -0.052 108.713 108.800 -0.059 0.000 2.179 79 G HA2 -0.304 3.659 3.960 0.005 0.000 0.260 79 G HA3 -0.304 3.659 3.960 0.005 0.000 0.260 79 G C 0.407 175.220 174.900 -0.144 0.000 0.977 79 G CA 0.377 45.400 45.100 -0.128 0.000 0.641 79 G HN 0.460 nan 8.290 nan 0.000 0.533 80 S N 0.253 115.891 115.700 -0.104 0.000 2.592 80 S HA 0.776 5.249 4.470 0.005 0.000 0.271 80 S C 0.182 174.708 174.600 -0.124 0.000 1.326 80 S CA -0.613 57.535 58.200 -0.087 0.000 1.024 80 S CB 1.947 65.121 63.200 -0.043 0.000 0.921 80 S HN 0.462 nan 8.310 nan 0.000 0.527 81 I N 1.819 122.327 120.570 -0.105 0.000 2.693 81 I HA 0.634 4.807 4.170 0.005 0.000 0.303 81 I C 0.282 176.336 176.117 -0.106 0.000 1.025 81 I CA -0.358 60.855 61.300 -0.144 0.000 1.086 81 I CB 1.518 39.437 38.000 -0.136 0.000 1.268 81 I HN 1.047 nan 8.210 nan 0.000 0.440 82 T N 0.992 115.440 114.554 -0.177 0.000 2.894 82 T HA 0.624 4.977 4.350 0.005 0.000 0.309 82 T C -1.354 173.208 174.700 -0.229 0.000 1.208 82 T CA -0.708 61.335 62.100 -0.096 0.000 1.016 82 T CB 1.564 70.414 68.868 -0.031 0.000 1.192 82 T HN 0.246 nan 8.240 nan 0.000 0.491 83 Y N 0.966 121.283 120.300 0.028 0.000 2.334 83 Y HA 0.389 4.942 4.550 0.004 0.000 0.336 83 Y C 0.375 176.286 175.900 0.019 0.000 0.960 83 Y CA -0.851 57.285 58.100 0.060 0.000 1.164 83 Y CB 1.260 39.784 38.460 0.107 0.000 1.155 83 Y HN 0.716 nan 8.280 nan 0.000 0.478 84 D N 2.541 123.025 120.400 0.139 0.000 2.344 84 D HA -0.009 4.634 4.640 0.005 0.000 0.253 84 D C 0.938 177.208 176.300 -0.049 0.000 1.255 84 D CA 0.372 54.406 54.000 0.058 0.000 0.894 84 D CB 1.078 41.940 40.800 0.103 0.000 1.067 84 D HN 0.767 nan 8.370 nan 0.000 0.492 85 T N 1.212 115.624 114.554 -0.237 0.000 3.040 85 T HA -0.049 4.304 4.350 0.005 0.000 0.250 85 T C 1.775 176.262 174.700 -0.354 0.000 1.058 85 T CA -0.253 61.500 62.100 -0.580 0.000 0.988 85 T CB 0.079 68.439 68.868 -0.846 0.000 0.993 85 T HN 0.254 nan 8.240 nan 0.000 0.519 86 L N 2.449 123.545 121.223 -0.212 0.000 2.093 86 L HA 0.073 4.415 4.340 0.005 0.000 0.208 86 L C 2.683 179.363 176.870 -0.316 0.000 1.085 86 L CA 1.468 56.215 54.840 -0.155 0.000 0.755 86 L CB -1.109 40.956 42.059 0.009 0.000 0.904 86 L HN 0.655 nan 8.230 nan 0.000 0.435 87 C N -0.956 117.960 119.300 -0.640 0.000 2.397 87 C HA -0.109 4.354 4.460 0.005 0.000 0.286 87 C C 2.734 177.473 174.990 -0.419 0.000 1.308 87 C CA 0.291 58.672 59.018 -1.062 0.000 1.805 87 C CB -2.481 24.698 27.740 -0.934 0.000 1.952 87 C HN 0.605 nan 8.230 nan 0.000 0.518 88 A N -0.022 122.672 122.820 -0.209 0.000 2.216 88 A HA -0.063 4.260 4.320 0.005 0.000 0.214 88 A C 2.305 179.856 177.584 -0.054 0.000 1.160 88 A CA 1.248 53.247 52.037 -0.063 0.000 0.725 88 A CB -0.407 18.604 19.000 0.018 0.000 0.784 88 A HN 0.788 nan 8.150 nan 0.000 0.472 89 Q N -0.390 119.360 119.800 -0.082 0.000 2.384 89 Q HA 0.078 4.420 4.340 0.005 0.000 0.207 89 Q C 0.753 176.757 176.000 0.008 0.000 0.904 89 Q CA 0.253 56.043 55.803 -0.022 0.000 0.933 89 Q CB -0.050 28.684 28.738 -0.007 0.000 1.077 89 Q HN 0.521 nan 8.270 nan 0.000 0.522 90 S N 1.495 117.189 115.700 -0.009 0.000 2.525 90 S HA -0.019 4.453 4.470 0.005 0.000 0.285 90 S C 0.564 175.190 174.600 0.043 0.000 1.283 90 S CA 0.129 58.359 58.200 0.051 0.000 1.072 90 S CB 0.373 63.615 63.200 0.071 0.000 0.867 90 S HN 0.080 nan 8.310 nan 0.000 0.492 91 Q N 3.136 122.968 119.800 0.053 0.000 2.182 91 Q HA 0.366 4.709 4.340 0.005 0.000 0.270 91 Q C -0.704 175.320 176.000 0.041 0.000 0.861 91 Q CA 0.003 55.831 55.803 0.043 0.000 1.098 91 Q CB 0.691 29.457 28.738 0.045 0.000 1.188 91 Q HN 0.667 nan 8.270 nan 0.000 0.464 92 Q N 0.642 120.470 119.800 0.047 0.000 2.313 92 Q HA 0.215 4.557 4.340 0.005 0.000 0.260 92 Q C -1.406 174.624 176.000 0.050 0.000 0.972 92 Q CA -0.314 55.516 55.803 0.044 0.000 0.886 92 Q CB 2.148 30.913 28.738 0.045 0.000 1.373 92 Q HN 0.179 nan 8.270 nan 0.000 0.416 93 D N 1.087 121.512 120.400 0.041 0.000 2.304 93 D HA 0.472 5.115 4.640 0.005 0.000 0.247 93 D C 0.469 176.796 176.300 0.046 0.000 1.089 93 D CA 0.086 54.111 54.000 0.043 0.000 0.910 93 D CB 1.379 42.199 40.800 0.034 0.000 1.199 93 D HN 0.629 nan 8.370 nan 0.000 0.426 94 G N 0.413 109.243 108.800 0.051 0.000 2.702 94 G HA2 0.398 4.361 3.960 0.005 0.000 0.254 94 G HA3 0.398 4.361 3.960 0.005 0.000 0.254 94 G C -1.550 173.375 174.900 0.041 0.000 1.380 94 G CA -0.597 44.532 45.100 0.048 0.000 1.042 94 G HN 0.320 nan 8.290 nan 0.000 0.557 95 P HA 0.175 nan 4.420 nan 0.000 0.239 95 P C 0.400 177.719 177.300 0.033 0.000 1.188 95 P CA -0.004 63.116 63.100 0.034 0.000 0.794 95 P CB 0.154 31.875 31.700 0.035 0.000 0.937 96 C N 1.163 120.486 119.300 0.037 0.000 2.604 96 C HA 0.518 4.981 4.460 0.005 0.000 0.396 96 C C 1.112 176.119 174.990 0.029 0.000 1.282 96 C CA 0.212 59.251 59.018 0.034 0.000 2.292 96 C CB 0.361 28.125 27.740 0.040 0.000 2.633 96 C HN 0.416 nan 8.230 nan 0.000 0.620 97 T N -0.872 113.696 114.554 0.024 0.000 2.883 97 T HA 0.432 4.785 4.350 0.005 0.000 0.296 97 T C -2.307 172.403 174.700 0.017 0.000 1.117 97 T CA -1.259 60.853 62.100 0.020 0.000 1.006 97 T CB 1.520 70.398 68.868 0.017 0.000 1.191 97 T HN 0.287 nan 8.240 nan 0.000 0.508 98 P HA -0.016 nan 4.420 nan 0.000 0.218 98 P C 1.500 178.806 177.300 0.009 0.000 1.146 98 P CA 0.899 64.007 63.100 0.012 0.000 0.813 98 P CB 0.130 31.836 31.700 0.010 0.000 0.778 99 R N -0.833 119.672 120.500 0.009 0.000 2.073 99 R HA -0.007 4.336 4.340 0.005 0.000 0.229 99 R C 0.967 177.271 176.300 0.006 0.000 1.120 99 R CA 0.900 57.004 56.100 0.007 0.000 0.967 99 R CB 0.065 30.369 30.300 0.007 0.000 0.862 99 R HN 0.203 nan 8.270 nan 0.000 0.436 100 R N -0.291 120.214 120.500 0.009 0.000 2.626 100 R HA 0.165 4.508 4.340 0.005 0.000 0.274 100 R C -1.632 174.676 176.300 0.013 0.000 1.031 100 R CA -0.682 55.423 56.100 0.009 0.000 0.898 100 R CB 0.609 30.913 30.300 0.008 0.000 1.222 100 R HN 0.043 nan 8.270 nan 0.000 0.455 101 C N 4.430 123.736 119.300 0.011 0.000 2.265 101 C HA 0.475 4.937 4.460 0.005 0.000 0.332 101 C C 0.287 175.290 174.990 0.022 0.000 1.248 101 C CA -0.647 58.381 59.018 0.016 0.000 1.727 101 C CB -0.746 26.999 27.740 0.009 0.000 2.348 101 C HN 0.681 nan 8.230 nan 0.000 0.519 102 L N 6.253 127.494 121.223 0.030 0.000 2.848 102 L HA 0.321 4.664 4.340 0.005 0.000 0.240 102 L C 2.061 178.962 176.870 0.051 0.000 1.232 102 L CA 0.701 55.563 54.840 0.037 0.000 1.031 102 L CB -0.443 41.636 42.059 0.033 0.000 1.338 102 L HN 1.036 nan 8.230 nan 0.000 0.509 103 G N -0.518 108.315 108.800 0.054 0.000 2.470 103 G HA2 -0.248 3.715 3.960 0.005 0.000 0.220 103 G HA3 -0.248 3.715 3.960 0.005 0.000 0.220 103 G C 1.468 176.433 174.900 0.110 0.000 1.121 103 G CA 1.082 46.226 45.100 0.074 0.000 0.766 103 G HN 0.527 nan 8.290 nan 0.000 0.553 104 S N -0.199 115.564 115.700 0.105 0.000 2.575 104 S HA 0.340 4.812 4.470 0.005 0.000 0.215 104 S C 0.801 175.489 174.600 0.148 0.000 0.966 104 S CA -0.554 57.733 58.200 0.144 0.000 0.911 104 S CB -0.148 63.116 63.200 0.107 0.000 0.780 104 S HN 0.109 nan 8.310 nan 0.000 0.514 105 L N 2.175 123.466 121.223 0.113 0.000 2.367 105 L HA 0.258 4.601 4.340 0.005 0.000 0.275 105 L C 1.486 178.432 176.870 0.127 0.000 1.129 105 L CA -0.418 54.481 54.840 0.098 0.000 0.839 105 L CB 1.015 43.110 42.059 0.059 0.000 1.133 105 L HN 0.056 nan 8.230 nan 0.000 0.453 106 V N 4.270 124.269 119.914 0.140 0.000 2.244 106 V HA -0.150 3.973 4.120 0.005 0.000 0.244 106 V C 1.072 177.189 176.094 0.038 0.000 1.042 106 V CA 1.201 63.606 62.300 0.175 0.000 1.006 106 V CB -0.139 31.795 31.823 0.185 0.000 0.641 106 V HN 0.504 nan 8.190 nan 0.000 0.446 107 L N 1.333 122.537 121.223 -0.031 0.000 2.325 107 L HA 0.438 4.781 4.340 0.005 0.000 0.279 107 L C -2.145 174.726 176.870 0.001 0.000 1.054 107 L CA -1.295 53.501 54.840 -0.072 0.000 0.804 107 L CB 1.131 43.110 42.059 -0.134 0.000 1.200 107 L HN 0.264 nan 8.230 nan 0.000 0.436 123 E N -0.134 120.070 120.200 0.006 0.000 2.290 123 E HA 0.123 4.476 4.350 0.005 0.000 0.199 123 E C 1.692 178.296 176.600 0.007 0.000 0.912 123 E CA 0.803 57.205 56.400 0.003 0.000 0.924 123 E CB -0.163 29.539 29.700 0.003 0.000 0.901 123 E HN 0.516 nan 8.360 nan 0.000 0.487 124 Q N 1.147 120.953 119.800 0.010 0.000 2.248 124 Q HA -0.151 4.191 4.340 0.005 0.000 0.208 124 Q C 1.863 177.875 176.000 0.020 0.000 0.984 124 Q CA 1.181 56.993 55.803 0.014 0.000 0.875 124 Q CB -0.166 28.579 28.738 0.013 0.000 0.910 124 Q HN 0.409 nan 8.270 nan 0.000 0.433 125 L N -1.008 120.227 121.223 0.021 0.000 2.023 125 L HA -0.136 4.207 4.340 0.005 0.000 0.205 125 L C 1.977 178.862 176.870 0.026 0.000 1.073 125 L CA 0.916 55.777 54.840 0.035 0.000 0.745 125 L CB -0.352 41.731 42.059 0.041 0.000 0.900 125 L HN 0.369 nan 8.230 nan 0.000 0.435 126 L N 0.025 121.248 121.223 0.000 0.000 2.013 126 L HA -0.269 4.073 4.340 0.005 0.000 0.212 126 L C 2.909 179.769 176.870 -0.016 0.000 1.073 126 L CA 2.378 57.199 54.840 -0.031 0.000 0.753 126 L CB -0.747 41.294 42.059 -0.030 0.000 0.890 126 L HN 0.558 nan 8.230 nan 0.000 0.432 127 S N -2.187 113.517 115.700 0.007 0.000 2.453 127 S HA -0.168 4.305 4.470 0.005 0.000 0.231 127 S C 1.837 176.465 174.600 0.047 0.000 1.005 127 S CA 0.809 59.022 58.200 0.021 0.000 0.949 127 S CB -0.362 62.850 63.200 0.019 0.000 0.774 127 S HN 0.623 nan 8.310 nan 0.000 0.510 128 Q N 0.713 120.546 119.800 0.055 0.000 2.083 128 Q HA 0.113 4.456 4.340 0.005 0.000 0.198 128 Q C 2.626 178.707 176.000 0.135 0.000 0.969 128 Q CA 1.252 57.108 55.803 0.087 0.000 0.838 128 Q CB -0.459 28.324 28.738 0.074 0.000 0.900 128 Q HN 0.771 nan 8.270 nan 0.000 0.436 129 A N 1.342 124.225 122.820 0.105 0.000 1.902 129 A HA -0.199 4.124 4.320 0.005 0.000 0.217 129 A C 1.995 179.653 177.584 0.124 0.000 1.181 129 A CA 1.233 53.337 52.037 0.112 0.000 0.623 129 A CB -0.413 18.494 19.000 -0.155 0.000 0.818 129 A HN 0.203 nan 8.150 nan 0.000 0.443 130 R N -0.721 119.814 120.500 0.059 0.000 2.096 130 R HA -0.172 4.171 4.340 0.005 0.000 0.235 130 R C 1.950 178.325 176.300 0.125 0.000 1.127 130 R CA 1.640 57.781 56.100 0.067 0.000 0.968 130 R CB -0.408 29.911 30.300 0.032 0.000 0.861 130 R HN 0.730 nan 8.270 nan 0.000 0.440 131 D N 0.115 120.601 120.400 0.144 0.000 2.084 131 D HA -0.195 4.448 4.640 0.005 0.000 0.196 131 D C 1.673 178.102 176.300 0.216 0.000 0.985 131 D CA 0.976 55.069 54.000 0.155 0.000 0.826 131 D CB -0.119 40.765 40.800 0.140 0.000 0.978 131 D HN 0.118 nan 8.370 nan 0.000 0.456 132 F N 1.032 121.065 119.950 0.139 0.000 2.126 132 F HA -0.144 4.386 4.527 0.004 0.000 0.299 132 F C 1.914 177.856 175.800 0.237 0.000 1.096 132 F CA 1.193 59.313 58.000 0.200 0.000 1.255 132 F CB -0.241 38.882 39.000 0.203 0.000 0.997 132 F HN 0.016 nan 8.300 nan 0.000 0.479 133 I N 1.137 121.732 120.570 0.042 0.000 2.264 133 I HA -0.311 3.862 4.170 0.005 0.000 0.248 133 I C 1.745 177.868 176.117 0.010 0.000 1.111 133 I CA 1.281 62.578 61.300 -0.005 0.000 1.382 133 I CB -1.584 36.518 38.000 0.171 0.000 1.060 133 I HN 0.273 nan 8.210 nan 0.000 0.418 134 N N 0.878 119.601 118.700 0.038 0.000 2.244 134 N HA -0.154 4.589 4.740 0.005 0.000 0.183 134 N C 1.807 177.251 175.510 -0.110 0.000 1.016 134 N CA 0.865 53.898 53.050 -0.028 0.000 0.866 134 N CB -0.367 38.178 38.487 0.097 0.000 0.980 134 N HN 0.504 nan 8.380 nan 0.000 0.430 135 Q N -0.406 119.357 119.800 -0.062 0.000 2.084 135 Q HA -0.154 4.188 4.340 0.005 0.000 0.202 135 Q C 1.695 177.501 176.000 -0.324 0.000 0.978 135 Q CA 1.134 56.918 55.803 -0.031 0.000 0.844 135 Q CB -0.251 28.614 28.738 0.212 0.000 0.898 135 Q HN 0.417 nan 8.270 nan 0.000 0.426 136 Y N 0.277 120.135 120.300 -0.736 0.000 2.070 136 Y HA -0.320 4.232 4.550 0.003 0.000 0.280 136 Y C 1.852 177.240 175.900 -0.854 0.000 1.148 136 Y CA 1.693 59.073 58.100 -1.200 0.000 1.125 136 Y CB -0.745 37.133 38.460 -0.972 0.000 0.975 136 Y HN 0.080 nan 8.280 nan 0.000 0.492 137 Y N -0.420 119.474 120.300 -0.676 0.000 2.207 137 Y HA -0.236 4.318 4.550 0.006 0.000 0.287 137 Y C 2.960 178.527 175.900 -0.555 0.000 1.156 137 Y CA 1.936 59.615 58.100 -0.702 0.000 1.182 137 Y CB -0.652 37.330 38.460 -0.797 0.000 0.979 137 Y HN 0.121 nan 8.280 nan 0.000 0.521 138 S N -0.869 114.629 115.700 -0.337 0.000 2.383 138 S HA -0.187 4.286 4.470 0.005 0.000 0.227 138 S C 2.260 176.703 174.600 -0.262 0.000 1.026 138 S CA 1.251 59.314 58.200 -0.229 0.000 0.981 138 S CB -0.516 62.603 63.200 -0.133 0.000 0.818 138 S HN 0.634 nan 8.310 nan 0.000 0.472 139 S N 1.929 117.395 115.700 -0.391 0.000 2.447 139 S HA -0.040 4.433 4.470 0.005 0.000 0.233 139 S C 1.542 175.928 174.600 -0.357 0.000 1.006 139 S CA 0.996 59.001 58.200 -0.324 0.000 0.957 139 S CB -0.708 62.224 63.200 -0.447 0.000 0.773 139 S HN 0.727 nan 8.310 nan 0.000 0.507 140 I N -3.349 116.905 120.570 -0.528 0.000 3.928 140 I HA 0.426 4.599 4.170 0.005 0.000 0.335 140 I C -0.385 175.563 176.117 -0.282 0.000 1.325 140 I CA -0.532 60.504 61.300 -0.440 0.000 1.107 140 I CB 0.037 37.642 38.000 -0.659 0.000 1.014 140 I HN -0.125 nan 8.210 nan 0.000 0.400 141 K N 1.988 122.251 120.400 -0.229 0.000 3.125 141 K HA -0.131 4.192 4.320 0.005 0.000 0.268 141 K C -0.245 176.300 176.600 -0.090 0.000 1.078 141 K CA 0.504 56.712 56.287 -0.132 0.000 0.775 141 K CB -1.924 30.518 32.500 -0.096 0.000 1.253 141 K HN 0.566 nan 8.250 nan 0.000 0.486 142 R N -0.493 119.959 120.500 -0.081 0.000 2.734 142 R HA 0.134 4.477 4.340 0.005 0.000 0.395 142 R C -0.342 176.005 176.300 0.079 0.000 1.096 142 R CA -0.338 55.779 56.100 0.029 0.000 1.071 142 R CB 0.857 31.230 30.300 0.122 0.000 1.348 142 R HN 0.017 nan 8.270 nan 0.000 0.600 143 S N 0.046 115.764 115.700 0.030 0.000 2.494 143 S HA 0.401 4.874 4.470 0.005 0.000 0.312 143 S C 1.066 175.783 174.600 0.195 0.000 1.121 143 S CA 0.771 59.027 58.200 0.093 0.000 1.068 143 S CB 0.414 63.621 63.200 0.012 0.000 1.141 143 S HN 0.756 nan 8.310 nan 0.000 0.527 144 G N 2.653 111.677 108.800 0.373 0.000 2.260 144 G HA2 -0.201 3.762 3.960 0.005 0.000 0.179 144 G HA3 -0.201 3.762 3.960 0.005 0.000 0.179 144 G C 0.246 175.140 174.900 -0.010 0.000 1.002 144 G CA -0.033 45.112 45.100 0.075 0.000 0.677 144 G HN 0.909 nan 8.290 nan 0.000 0.486 145 S N 0.643 116.374 115.700 0.052 0.000 2.634 145 S HA 0.449 4.922 4.470 0.005 0.000 0.261 145 S C 1.658 176.232 174.600 -0.044 0.000 1.271 145 S CA 0.648 58.854 58.200 0.009 0.000 0.985 145 S CB 1.423 64.652 63.200 0.047 0.000 0.968 145 S HN 0.733 nan 8.310 nan 0.000 0.568 146 Q N 0.731 120.513 119.800 -0.031 0.000 2.170 146 Q HA -0.105 4.238 4.340 0.005 0.000 0.203 146 Q C 1.831 177.797 176.000 -0.055 0.000 0.976 146 Q CA 2.141 57.916 55.803 -0.046 0.000 0.858 146 Q CB -1.233 27.493 28.738 -0.021 0.000 0.907 146 Q HN 0.853 nan 8.270 nan 0.000 0.433 147 A N 0.678 123.481 122.820 -0.027 0.000 1.935 147 A HA -0.115 4.208 4.320 0.005 0.000 0.214 147 A C 2.090 179.510 177.584 -0.275 0.000 1.178 147 A CA 0.980 53.010 52.037 -0.011 0.000 0.640 147 A CB -0.919 18.181 19.000 0.167 0.000 0.825 147 A HN 0.692 nan 8.150 nan 0.000 0.447 148 H N 0.086 118.751 119.070 -0.674 0.000 2.267 148 H HA -0.117 4.441 4.556 0.005 0.000 0.297 148 H C 1.513 176.503 175.328 -0.562 0.000 1.080 148 H CA 1.480 56.822 56.048 -1.176 0.000 1.278 148 H CB 0.090 29.419 29.762 -0.721 0.000 1.365 148 H HN 0.441 nan 8.280 nan 0.000 0.489 149 E N 0.358 120.320 120.200 -0.396 0.000 2.418 149 E HA -0.105 4.247 4.350 0.005 0.000 0.197 149 E C 1.785 178.274 176.600 -0.186 0.000 1.026 149 E CA 0.466 56.659 56.400 -0.344 0.000 0.862 149 E CB 0.075 29.597 29.700 -0.297 0.000 0.799 149 E HN 0.700 nan 8.360 nan 0.000 0.518 150 E N 0.645 120.761 120.200 -0.141 0.000 2.122 150 E HA -0.082 4.271 4.350 0.005 0.000 0.190 150 E C 2.084 178.660 176.600 -0.040 0.000 0.977 150 E CA 0.231 56.589 56.400 -0.070 0.000 0.820 150 E CB 0.131 29.811 29.700 -0.035 0.000 0.770 150 E HN -0.089 nan 8.360 nan 0.000 0.462 151 R N 1.334 121.807 120.500 -0.044 0.000 2.096 151 R HA -0.077 4.266 4.340 0.005 0.000 0.235 151 R C 2.002 178.308 176.300 0.011 0.000 1.127 151 R CA 1.111 57.230 56.100 0.032 0.000 0.968 151 R CB -0.666 29.705 30.300 0.118 0.000 0.861 151 R HN 0.154 nan 8.270 nan 0.000 0.440 152 L N 0.148 121.346 121.223 -0.043 0.000 1.989 152 L HA -0.239 4.104 4.340 0.005 0.000 0.211 152 L C 2.595 179.430 176.870 -0.058 0.000 1.071 152 L CA 1.907 56.714 54.840 -0.055 0.000 0.749 152 L CB -0.501 41.491 42.059 -0.111 0.000 0.890 152 L HN 0.333 nan 8.230 nan 0.000 0.431 153 Q N -0.609 119.154 119.800 -0.062 0.000 2.152 153 Q HA -0.294 4.049 4.340 0.005 0.000 0.206 153 Q C 2.160 178.146 176.000 -0.024 0.000 0.985 153 Q CA 1.834 57.610 55.803 -0.045 0.000 0.863 153 Q CB -0.128 28.584 28.738 -0.043 0.000 0.904 153 Q HN 0.474 nan 8.270 nan 0.000 0.422 154 E N -0.148 120.047 120.200 -0.008 0.000 2.072 154 E HA -0.154 4.198 4.350 0.005 0.000 0.191 154 E C 1.991 178.601 176.600 0.016 0.000 0.985 154 E CA 0.918 57.331 56.400 0.020 0.000 0.801 154 E CB 0.231 29.960 29.700 0.048 0.000 0.750 154 E HN 0.146 nan 8.360 nan 0.000 0.452 155 V N 2.375 122.275 119.914 -0.023 0.000 2.358 155 V HA -0.249 3.873 4.120 0.005 0.000 0.246 155 V C 2.317 178.332 176.094 -0.132 0.000 1.047 155 V CA 2.215 64.443 62.300 -0.119 0.000 1.035 155 V CB -0.550 31.123 31.823 -0.250 0.000 0.658 155 V HN 0.413 nan 8.190 nan 0.000 0.452 156 E N 1.067 121.211 120.200 -0.092 0.000 2.204 156 E HA -0.153 4.200 4.350 0.005 0.000 0.194 156 E C 2.195 178.780 176.600 -0.026 0.000 0.989 156 E CA 1.322 57.684 56.400 -0.064 0.000 0.824 156 E CB -0.414 29.253 29.700 -0.054 0.000 0.756 156 E HN 0.521 nan 8.360 nan 0.000 0.477 157 A N 2.131 124.945 122.820 -0.011 0.000 1.883 157 A HA -0.245 4.077 4.320 0.005 0.000 0.217 157 A C 2.115 179.717 177.584 0.030 0.000 1.186 157 A CA 1.731 53.774 52.037 0.010 0.000 0.624 157 A CB -0.524 18.486 19.000 0.017 0.000 0.822 157 A HN 0.269 nan 8.150 nan 0.000 0.444 158 E N -0.594 119.635 120.200 0.048 0.000 2.072 158 E HA -0.108 4.245 4.350 0.005 0.000 0.191 158 E C 2.072 178.718 176.600 0.077 0.000 0.985 158 E CA 1.271 57.725 56.400 0.091 0.000 0.801 158 E CB -0.153 29.647 29.700 0.168 0.000 0.750 158 E HN 0.399 nan 8.360 nan 0.000 0.452 159 V N 1.308 121.248 119.914 0.043 0.000 2.307 159 V HA -0.277 3.846 4.120 0.005 0.000 0.245 159 V C 2.371 178.481 176.094 0.026 0.000 1.045 159 V CA 1.700 64.022 62.300 0.036 0.000 1.024 159 V CB -0.813 31.006 31.823 -0.006 0.000 0.651 159 V HN 0.316 nan 8.190 nan 0.000 0.449 160 A N 0.993 123.821 122.820 0.013 0.000 1.881 160 A HA -0.319 4.004 4.320 0.005 0.000 0.219 160 A C 2.453 180.050 177.584 0.021 0.000 1.215 160 A CA 3.177 55.222 52.037 0.012 0.000 0.648 160 A CB -1.045 17.959 19.000 0.008 0.000 0.832 160 A HN 0.744 nan 8.150 nan 0.000 0.455 161 S N -2.236 113.482 115.700 0.029 0.000 2.558 161 S HA 0.069 4.542 4.470 0.005 0.000 0.217 161 S C 1.210 175.833 174.600 0.038 0.000 0.975 161 S CA 1.387 59.606 58.200 0.032 0.000 0.912 161 S CB -0.285 62.935 63.200 0.034 0.000 0.776 161 S HN 0.951 nan 8.310 nan 0.000 0.526 162 T N -5.054 109.526 114.554 0.044 0.000 3.029 162 T HA 0.554 4.907 4.350 0.005 0.000 0.256 162 T C 1.580 176.301 174.700 0.034 0.000 0.914 162 T CA 0.692 62.819 62.100 0.045 0.000 0.880 162 T CB 0.102 69.009 68.868 0.066 0.000 1.246 162 T HN 1.108 nan 8.240 nan 0.000 0.523 163 G N 0.627 109.449 108.800 0.035 0.000 2.284 163 G HA2 -0.238 3.725 3.960 0.005 0.000 0.230 163 G HA3 -0.238 3.725 3.960 0.005 0.000 0.230 163 G C 0.301 175.222 174.900 0.035 0.000 1.021 163 G CA 0.609 45.725 45.100 0.027 0.000 0.619 163 G HN 0.901 nan 8.290 nan 0.000 0.510 164 T N -0.866 113.708 114.554 0.035 0.000 2.735 164 T HA 0.776 5.129 4.350 0.005 0.000 0.262 164 T C -0.562 174.233 174.700 0.158 0.000 0.955 164 T CA 0.661 62.779 62.100 0.031 0.000 1.022 164 T CB 1.222 70.011 68.868 -0.133 0.000 1.455 164 T HN 1.532 nan 8.240 nan 0.000 0.583 165 Y N -1.394 118.790 120.300 -0.193 0.000 2.818 165 Y HA 0.599 5.151 4.550 0.005 0.000 0.341 165 Y C -1.481 174.228 175.900 -0.317 0.000 1.283 165 Y CA -1.334 56.682 58.100 -0.138 0.000 1.075 165 Y CB 0.562 39.019 38.460 -0.005 0.000 1.370 165 Y HN 0.679 nan 8.280 nan 0.000 0.448 166 H N 1.287 120.279 119.070 -0.129 0.000 2.679 166 H HA 0.603 5.162 4.556 0.005 0.000 0.367 166 H C -0.939 174.340 175.328 -0.080 0.000 1.162 166 H CA -0.902 55.030 56.048 -0.194 0.000 1.181 166 H CB 2.617 32.355 29.762 -0.039 0.000 1.693 166 H HN 0.582 nan 8.280 nan 0.000 0.538 167 L N 1.798 123.050 121.223 0.049 0.000 2.395 167 L HA 0.335 4.678 4.340 0.005 0.000 0.269 167 L C 1.007 177.948 176.870 0.119 0.000 1.133 167 L CA -0.493 54.420 54.840 0.122 0.000 0.812 167 L CB 0.709 42.828 42.059 0.100 0.000 1.125 167 L HN 0.349 nan 8.230 nan 0.000 0.452 168 R N 1.243 121.799 120.500 0.095 0.000 2.582 168 R HA 0.019 4.362 4.340 0.005 0.000 0.271 168 R C 1.160 177.471 176.300 0.019 0.000 1.078 168 R CA -0.356 55.772 56.100 0.047 0.000 1.127 168 R CB 0.936 31.248 30.300 0.021 0.000 1.038 168 R HN 0.670 nan 8.270 nan 0.000 0.500 169 E N 1.233 121.443 120.200 0.017 0.000 2.113 169 E HA -0.324 4.029 4.350 0.005 0.000 0.210 169 E C 1.537 178.142 176.600 0.009 0.000 1.040 169 E CA 2.638 59.042 56.400 0.006 0.000 0.847 169 E CB 0.047 29.752 29.700 0.007 0.000 0.755 169 E HN 0.658 nan 8.360 nan 0.000 0.459 170 S N -0.386 115.324 115.700 0.017 0.000 2.406 170 S HA -0.113 4.360 4.470 0.005 0.000 0.228 170 S C 1.771 176.408 174.600 0.062 0.000 1.020 170 S CA 1.136 59.371 58.200 0.059 0.000 0.965 170 S CB -0.161 63.101 63.200 0.102 0.000 0.798 170 S HN 0.297 nan 8.310 nan 0.000 0.488 171 E N 0.530 120.670 120.200 -0.100 0.000 2.110 171 E HA -0.097 4.256 4.350 0.005 0.000 0.193 171 E C 1.960 178.696 176.600 0.227 0.000 0.988 171 E CA 1.223 57.568 56.400 -0.093 0.000 0.804 171 E CB -0.293 29.319 29.700 -0.147 0.000 0.745 171 E HN 0.459 nan 8.360 nan 0.000 0.458 172 L N 0.403 121.676 121.223 0.082 0.000 2.017 172 L HA -0.189 4.154 4.340 0.005 0.000 0.208 172 L C 2.251 179.130 176.870 0.015 0.000 1.073 172 L CA 1.312 56.144 54.840 -0.013 0.000 0.745 172 L CB -0.295 41.705 42.059 -0.098 0.000 0.894 172 L HN -0.032 nan 8.230 nan 0.000 0.432 173 V N -0.443 119.506 119.914 0.058 0.000 2.287 173 V HA -0.346 3.777 4.120 0.005 0.000 0.248 173 V C 2.269 178.461 176.094 0.164 0.000 1.053 173 V CA 2.292 64.636 62.300 0.073 0.000 1.027 173 V CB -0.926 30.943 31.823 0.076 0.000 0.646 173 V HN 0.586 nan 8.190 nan 0.000 0.447 174 F N 2.006 122.037 119.950 0.136 0.000 2.075 174 F HA -0.020 4.509 4.527 0.003 0.000 0.297 174 F C 2.237 178.172 175.800 0.225 0.000 1.113 174 F CA 1.916 60.041 58.000 0.210 0.000 1.218 174 F CB -1.047 38.124 39.000 0.285 0.000 0.984 174 F HN 0.120 nan 8.300 nan 0.000 0.472 175 G N -0.129 108.722 108.800 0.084 0.000 2.442 175 G HA2 -0.238 3.725 3.960 0.005 0.000 0.219 175 G HA3 -0.238 3.725 3.960 0.005 0.000 0.219 175 G C 1.783 176.538 174.900 -0.241 0.000 1.141 175 G CA 0.908 45.960 45.100 -0.080 0.000 0.763 175 G HN 0.684 nan 8.290 nan 0.000 0.554 176 A N 0.772 123.491 122.820 -0.169 0.000 1.902 176 A HA 0.011 4.334 4.320 0.005 0.000 0.217 176 A C 2.308 179.863 177.584 -0.049 0.000 1.181 176 A CA 1.871 53.812 52.037 -0.159 0.000 0.623 176 A CB -0.321 18.618 19.000 -0.101 0.000 0.818 176 A HN 0.366 nan 8.150 nan 0.000 0.443 177 K N -1.122 119.290 120.400 0.020 0.000 2.148 177 K HA -0.151 4.172 4.320 0.005 0.000 0.204 177 K C 2.263 178.864 176.600 0.001 0.000 1.050 177 K CA 1.455 57.859 56.287 0.195 0.000 0.942 177 K CB -0.085 32.610 32.500 0.326 0.000 0.724 177 K HN 0.409 nan 8.250 nan 0.000 0.446 178 Q N 0.476 120.104 119.800 -0.287 0.000 2.172 178 Q HA -0.011 4.332 4.340 0.005 0.000 0.200 178 Q C 1.776 177.582 176.000 -0.323 0.000 0.964 178 Q CA 1.355 56.891 55.803 -0.444 0.000 0.855 178 Q CB -0.064 28.274 28.738 -0.667 0.000 0.918 178 Q HN 0.324 nan 8.270 nan 0.000 0.444 179 A N -0.744 121.888 122.820 -0.314 0.000 1.898 179 A HA -0.165 4.158 4.320 0.005 0.000 0.216 179 A C 1.782 179.308 177.584 -0.096 0.000 1.181 179 A CA 1.333 53.120 52.037 -0.416 0.000 0.620 179 A CB -1.093 17.324 19.000 -0.972 0.000 0.819 179 A HN 0.672 nan 8.150 nan 0.000 0.442 180 W N 1.048 122.295 121.300 -0.088 0.000 2.381 180 W HA -0.104 4.557 4.660 0.002 0.000 0.301 180 W C 2.277 178.744 176.519 -0.086 0.000 1.205 180 W CA 1.451 58.824 57.345 0.046 0.000 1.285 180 W CB -0.619 28.873 29.460 0.052 0.000 1.133 180 W HN 0.345 nan 8.180 nan 0.000 0.521 181 R N 0.318 120.691 120.500 -0.212 0.000 2.105 181 R HA -0.189 4.154 4.340 0.005 0.000 0.239 181 R C 1.424 177.530 176.300 -0.324 0.000 1.135 181 R CA 1.813 57.556 56.100 -0.594 0.000 0.967 181 R CB -0.592 29.023 30.300 -1.142 0.000 0.861 181 R HN 0.067 nan 8.270 nan 0.000 0.442 182 N N 0.135 118.704 118.700 -0.217 0.000 2.461 182 N HA 0.030 4.773 4.740 0.005 0.000 0.188 182 N C -0.660 174.799 175.510 -0.086 0.000 1.134 182 N CA 0.531 53.489 53.050 -0.152 0.000 0.878 182 N CB 0.735 39.132 38.487 -0.149 0.000 0.972 182 N HN 0.171 nan 8.380 nan 0.000 0.456 183 A N 1.465 124.280 122.820 -0.009 0.000 2.415 183 A HA 0.357 4.680 4.320 0.005 0.000 0.309 183 A C -1.403 176.169 177.584 -0.019 0.000 1.356 183 A CA -1.159 50.889 52.037 0.019 0.000 0.998 183 A CB 0.498 19.571 19.000 0.121 0.000 1.145 183 A HN -0.041 nan 8.150 nan 0.000 0.545 184 P HA -0.102 nan 4.420 nan 0.000 0.223 184 P C 1.062 178.326 177.300 -0.060 0.000 1.144 184 P CA 1.143 64.194 63.100 -0.083 0.000 0.783 184 P CB 0.192 31.806 31.700 -0.143 0.000 0.771 185 R N -2.707 117.736 120.500 -0.094 0.000 2.365 185 R HA 0.174 4.516 4.340 0.005 0.000 0.223 185 R C 0.256 176.580 176.300 0.040 0.000 0.899 185 R CA -0.169 55.891 56.100 -0.066 0.000 1.059 185 R CB -0.087 29.997 30.300 -0.359 0.000 1.086 185 R HN 0.169 nan 8.270 nan 0.000 0.522 186 C N 0.681 119.994 119.300 0.022 0.000 2.415 186 C HA 0.217 4.680 4.460 0.005 0.000 0.369 186 C C 1.960 176.928 174.990 -0.038 0.000 1.279 186 C CA -0.569 58.480 59.018 0.051 0.000 1.886 186 C CB 0.783 28.612 27.740 0.149 0.000 2.468 186 C HN 0.271 nan 8.230 nan 0.000 0.553 187 V N 5.980 125.828 119.914 -0.109 0.000 3.406 187 V HA 0.222 4.345 4.120 0.005 0.000 0.263 187 V C 1.817 177.931 176.094 0.033 0.000 1.172 187 V CA 1.944 64.075 62.300 -0.281 0.000 1.140 187 V CB -0.193 31.450 31.823 -0.300 0.000 0.784 187 V HN 1.099 nan 8.190 nan 0.000 0.467 188 G N -0.437 108.429 108.800 0.109 0.000 3.262 188 G HA2 -0.003 3.960 3.960 0.005 0.000 0.228 188 G HA3 -0.003 3.960 3.960 0.005 0.000 0.228 188 G C 1.305 176.280 174.900 0.125 0.000 1.197 188 G CA -0.225 44.970 45.100 0.157 0.000 0.819 188 G HN 0.463 nan 8.290 nan 0.000 0.531 189 R N -0.315 120.153 120.500 -0.053 0.000 2.193 189 R HA 0.025 4.368 4.340 0.005 0.000 0.229 189 R C 2.171 178.108 176.300 -0.604 0.000 1.110 189 R CA 0.462 56.239 56.100 -0.538 0.000 0.988 189 R CB -0.254 29.648 30.300 -0.664 0.000 0.871 189 R HN 0.479 nan 8.270 nan 0.000 0.458 190 I N 1.119 121.472 120.570 -0.362 0.000 2.502 190 I HA -0.292 3.881 4.170 0.005 0.000 0.258 190 I C 1.460 177.516 176.117 -0.100 0.000 1.172 190 I CA 1.468 62.751 61.300 -0.029 0.000 1.430 190 I CB 0.133 38.188 38.000 0.091 0.000 1.086 190 I HN 0.165 nan 8.210 nan 0.000 0.440 191 Q N 0.273 119.955 119.800 -0.197 0.000 2.392 191 Q HA -0.093 4.250 4.340 0.005 0.000 0.203 191 Q C 1.648 177.308 176.000 -0.568 0.000 0.917 191 Q CA 0.625 56.321 55.803 -0.179 0.000 0.939 191 Q CB -0.288 28.531 28.738 0.135 0.000 1.063 191 Q HN 0.830 nan 8.270 nan 0.000 0.516 192 W N 0.491 121.076 121.300 -1.192 0.000 2.290 192 W HA -0.209 4.455 4.660 0.007 0.000 0.311 192 W C 1.359 177.622 176.519 -0.427 0.000 1.238 192 W CA 1.365 57.882 57.345 -1.380 0.000 1.255 192 W CB -1.483 27.314 29.460 -1.105 0.000 1.145 192 W HN 0.094 nan 8.180 nan 0.000 0.506 193 G N 1.385 109.414 108.800 -1.284 0.000 2.450 193 G HA2 -0.266 3.697 3.960 0.005 0.000 0.220 193 G HA3 -0.266 3.697 3.960 0.005 0.000 0.220 193 G C 0.925 175.613 174.900 -0.353 0.000 1.130 193 G CA 0.716 45.212 45.100 -1.006 0.000 0.760 193 G HN 0.280 nan 8.290 nan 0.000 0.557 194 K N 0.056 120.343 120.400 -0.189 0.000 2.299 194 K HA 0.530 4.852 4.320 0.005 0.000 0.268 194 K C -1.738 174.965 176.600 0.173 0.000 1.075 194 K CA -0.654 55.633 56.287 -0.000 0.000 0.936 194 K CB 0.505 33.025 32.500 0.034 0.000 1.228 194 K HN 0.108 nan 8.250 nan 0.000 0.454 195 L N 2.905 124.222 121.223 0.157 0.000 2.549 195 L HA 0.278 4.621 4.340 0.005 0.000 0.259 195 L C -1.748 175.145 176.870 0.038 0.000 0.934 195 L CA -0.380 54.578 54.840 0.196 0.000 0.865 195 L CB 2.142 44.419 42.059 0.363 0.000 1.352 195 L HN 0.480 nan 8.230 nan 0.000 0.410 196 Q N 2.818 122.591 119.800 -0.046 0.000 2.377 196 Q HA 0.533 4.876 4.340 0.005 0.000 0.249 196 Q C -1.492 174.236 176.000 -0.453 0.000 1.005 196 Q CA -0.174 55.431 55.803 -0.330 0.000 0.912 196 Q CB 1.177 29.595 28.738 -0.533 0.000 1.223 196 Q HN 0.548 nan 8.270 nan 0.000 0.459 197 V N 6.206 125.892 119.914 -0.380 0.000 2.389 197 V HA 0.287 4.410 4.120 0.005 0.000 0.264 197 V C -0.550 175.315 176.094 -0.382 0.000 1.049 197 V CA -0.232 61.908 62.300 -0.267 0.000 0.932 197 V CB -0.081 31.659 31.823 -0.139 0.000 1.011 197 V HN 0.625 nan 8.190 nan 0.000 0.475 198 F N 3.189 123.034 119.950 -0.175 0.000 2.334 198 F HA 0.333 4.861 4.527 0.002 0.000 0.367 198 F C 0.603 176.289 175.800 -0.191 0.000 1.115 198 F CA -0.871 57.020 58.000 -0.181 0.000 1.116 198 F CB 0.887 39.771 39.000 -0.194 0.000 1.230 198 F HN 0.419 nan 8.300 nan 0.000 0.484 199 D N 3.152 123.558 120.400 0.011 0.000 2.371 199 D HA 0.352 4.995 4.640 0.005 0.000 0.256 199 D C 0.022 176.227 176.300 -0.157 0.000 1.193 199 D CA 0.330 54.278 54.000 -0.087 0.000 0.881 199 D CB 1.350 42.118 40.800 -0.052 0.000 1.143 199 D HN 0.648 nan 8.370 nan 0.000 0.473 200 A N 4.590 127.173 122.820 -0.395 0.000 2.610 200 A HA 0.150 4.473 4.320 0.005 0.000 0.290 200 A C 1.182 178.442 177.584 -0.540 0.000 1.001 200 A CA -0.430 51.130 52.037 -0.794 0.000 1.004 200 A CB 0.174 18.276 19.000 -1.497 0.000 1.220 200 A HN 0.563 nan 8.150 nan 0.000 0.507 201 R N 0.722 121.063 120.500 -0.265 0.000 2.328 201 R HA -0.013 4.330 4.340 0.005 0.000 0.200 201 R C 0.685 176.925 176.300 -0.100 0.000 0.983 201 R CA 0.948 56.966 56.100 -0.137 0.000 1.062 201 R CB 0.095 30.389 30.300 -0.009 0.000 0.956 201 R HN 0.638 nan 8.270 nan 0.000 0.479 202 D N -0.503 119.825 120.400 -0.119 0.000 2.360 202 D HA -0.061 4.582 4.640 0.005 0.000 0.210 202 D C 0.391 176.694 176.300 0.005 0.000 1.047 202 D CA -0.267 53.719 54.000 -0.023 0.000 0.854 202 D CB -0.378 40.443 40.800 0.035 0.000 0.936 202 D HN -0.009 nan 8.370 nan 0.000 0.514 203 C N 1.842 121.082 119.300 -0.100 0.000 2.642 203 C HA 0.312 4.775 4.460 0.005 0.000 0.420 203 C C 1.966 177.046 174.990 0.149 0.000 1.349 203 C CA 0.716 59.734 59.018 0.000 0.000 1.821 203 C CB -0.291 27.401 27.740 -0.081 0.000 2.637 203 C HN 0.491 nan 8.230 nan 0.000 0.605 204 S N 2.549 118.400 115.700 0.251 0.000 2.593 204 S HA 0.253 4.726 4.470 0.005 0.000 0.235 204 S C 0.238 175.002 174.600 0.274 0.000 1.059 204 S CA 0.491 58.858 58.200 0.280 0.000 0.953 204 S CB -0.075 63.229 63.200 0.174 0.000 0.897 204 S HN 1.272 nan 8.310 nan 0.000 0.507 205 S N -0.440 115.417 115.700 0.261 0.000 2.607 205 S HA 0.811 5.284 4.470 0.005 0.000 0.273 205 S C 0.923 175.621 174.600 0.165 0.000 1.148 205 S CA -0.244 58.060 58.200 0.173 0.000 0.833 205 S CB 1.023 64.300 63.200 0.128 0.000 1.130 205 S HN 0.611 nan 8.310 nan 0.000 0.470 206 A N 1.056 123.937 122.820 0.103 0.000 1.908 206 A HA -0.123 4.199 4.320 0.005 0.000 0.218 206 A C 2.148 179.741 177.584 0.014 0.000 1.181 206 A CA 2.393 54.480 52.037 0.084 0.000 0.627 206 A CB -1.375 17.709 19.000 0.141 0.000 0.818 206 A HN 0.932 nan 8.150 nan 0.000 0.445 207 Q N 0.184 120.071 119.800 0.144 0.000 2.045 207 Q HA -0.239 4.103 4.340 0.005 0.000 0.206 207 Q C 1.958 177.965 176.000 0.012 0.000 0.991 207 Q CA 2.576 58.436 55.803 0.094 0.000 0.851 207 Q CB -0.498 28.362 28.738 0.204 0.000 0.911 207 Q HN 0.755 nan 8.270 nan 0.000 0.418 208 E N -0.928 119.333 120.200 0.102 0.000 2.077 208 E HA -0.188 4.165 4.350 0.005 0.000 0.193 208 E C 2.020 178.761 176.600 0.235 0.000 0.989 208 E CA 1.237 57.742 56.400 0.175 0.000 0.800 208 E CB -0.143 29.702 29.700 0.242 0.000 0.746 208 E HN 0.450 nan 8.360 nan 0.000 0.452 209 M N -0.003 119.676 119.600 0.130 0.000 2.113 209 M HA -0.242 4.241 4.480 0.005 0.000 0.255 209 M C 2.303 178.638 176.300 0.059 0.000 1.073 209 M CA 1.730 57.024 55.300 -0.010 0.000 1.091 209 M CB -0.658 31.782 32.600 -0.266 0.000 1.309 209 M HN 0.228 nan 8.290 nan 0.000 0.407 210 F N 1.285 121.028 119.950 -0.344 0.000 2.069 210 F HA -0.199 4.332 4.527 0.007 0.000 0.298 210 F C 2.389 178.077 175.800 -0.187 0.000 1.113 210 F CA 2.083 59.815 58.000 -0.446 0.000 1.214 210 F CB -0.979 37.383 39.000 -1.063 0.000 0.978 210 F HN 0.093 nan 8.300 nan 0.000 0.474 211 T N -0.164 114.231 114.554 -0.264 0.000 2.607 211 T HA -0.285 4.068 4.350 0.005 0.000 0.267 211 T C 1.749 176.298 174.700 -0.253 0.000 1.049 211 T CA 2.081 63.990 62.100 -0.319 0.000 1.162 211 T CB -0.989 67.777 68.868 -0.169 0.000 0.863 211 T HN 0.318 nan 8.240 nan 0.000 0.424 212 Y N 1.164 121.411 120.300 -0.089 0.000 2.102 212 Y HA -0.162 4.391 4.550 0.005 0.000 0.280 212 Y C 2.325 178.166 175.900 -0.098 0.000 1.178 212 Y CA 1.121 59.187 58.100 -0.056 0.000 1.146 212 Y CB -0.544 37.992 38.460 0.126 0.000 0.968 212 Y HN 0.214 nan 8.280 nan 0.000 0.504 213 I N -1.849 118.794 120.570 0.121 0.000 2.286 213 I HA -0.364 3.809 4.170 0.005 0.000 0.248 213 I C 2.376 178.411 176.117 -0.136 0.000 1.115 213 I CA 1.030 62.340 61.300 0.018 0.000 1.392 213 I CB -0.574 37.442 38.000 0.026 0.000 1.065 213 I HN 0.305 nan 8.210 nan 0.000 0.418 214 C N 0.881 119.984 119.300 -0.329 0.000 2.425 214 C HA -0.121 4.341 4.460 0.005 0.000 0.277 214 C C 2.607 177.469 174.990 -0.214 0.000 1.280 214 C CA 0.859 59.667 59.018 -0.350 0.000 1.744 214 C CB -1.389 26.014 27.740 -0.562 0.000 1.989 214 C HN 0.547 nan 8.230 nan 0.000 0.491 215 N N 0.006 118.563 118.700 -0.237 0.000 2.120 215 N HA -0.139 4.604 4.740 0.005 0.000 0.188 215 N C 1.407 176.782 175.510 -0.225 0.000 1.024 215 N CA 1.465 54.368 53.050 -0.245 0.000 0.852 215 N CB -0.831 37.443 38.487 -0.356 0.000 1.003 215 N HN 0.748 nan 8.380 nan 0.000 0.424 216 H N 0.446 119.315 119.070 -0.336 0.000 2.267 216 H HA 0.016 4.577 4.556 0.007 0.000 0.297 216 H C 2.090 177.385 175.328 -0.057 0.000 1.080 216 H CA 1.699 57.588 56.048 -0.266 0.000 1.278 216 H CB -0.151 29.509 29.762 -0.170 0.000 1.365 216 H HN 0.080 nan 8.280 nan 0.000 0.489 217 I N 0.669 121.349 120.570 0.183 0.000 2.194 217 I HA -0.301 3.872 4.170 0.005 0.000 0.246 217 I C 2.427 178.604 176.117 0.101 0.000 1.093 217 I CA 1.534 62.910 61.300 0.126 0.000 1.355 217 I CB -0.211 37.791 38.000 0.003 0.000 1.046 217 I HN 0.345 nan 8.210 nan 0.000 0.413 218 K N -0.285 120.143 120.400 0.046 0.000 2.002 218 K HA -0.231 4.092 4.320 0.005 0.000 0.209 218 K C 2.201 178.849 176.600 0.079 0.000 1.048 218 K CA 1.818 58.127 56.287 0.036 0.000 0.930 218 K CB -0.472 32.027 32.500 -0.003 0.000 0.714 218 K HN 0.222 nan 8.250 nan 0.000 0.438 219 Y N 1.536 121.829 120.300 -0.011 0.000 2.049 219 Y HA -0.309 4.241 4.550 -0.001 0.000 0.277 219 Y C 2.304 178.258 175.900 0.089 0.000 1.143 219 Y CA 1.854 59.984 58.100 0.050 0.000 1.115 219 Y CB -0.558 37.966 38.460 0.107 0.000 0.975 219 Y HN 0.077 nan 8.280 nan 0.000 0.487 220 A N -0.877 122.106 122.820 0.273 0.000 1.978 220 A HA -0.214 4.108 4.320 0.005 0.000 0.220 220 A C 2.174 179.835 177.584 0.128 0.000 1.170 220 A CA 2.415 54.586 52.037 0.224 0.000 0.636 220 A CB -1.284 17.916 19.000 0.332 0.000 0.810 220 A HN 0.585 nan 8.150 nan 0.000 0.448 221 T N -0.620 113.997 114.554 0.106 0.000 2.894 221 T HA -0.035 4.318 4.350 0.005 0.000 0.258 221 T C 1.057 175.775 174.700 0.030 0.000 1.043 221 T CA 0.900 63.054 62.100 0.089 0.000 1.141 221 T CB -0.301 68.616 68.868 0.082 0.000 0.873 221 T HN 0.615 nan 8.240 nan 0.000 0.449 222 N N 1.342 120.029 118.700 -0.023 0.000 2.716 222 N HA -0.252 4.491 4.740 0.005 0.000 0.250 222 N C -0.135 175.354 175.510 -0.034 0.000 1.033 222 N CA 0.542 53.551 53.050 -0.068 0.000 0.727 222 N CB -1.288 37.113 38.487 -0.143 0.000 0.950 222 N HN 0.509 nan 8.380 nan 0.000 0.541 223 R N -2.357 118.135 120.500 -0.012 0.000 3.741 223 R HA -0.227 4.116 4.340 0.005 0.000 0.292 223 R C 1.221 177.515 176.300 -0.010 0.000 1.176 223 R CA 1.308 57.402 56.100 -0.010 0.000 0.794 223 R CB -1.907 28.383 30.300 -0.017 0.000 1.213 223 R HN 0.926 nan 8.270 nan 0.000 0.494 224 G N -0.443 108.361 108.800 0.006 0.000 2.211 224 G HA2 -0.288 3.674 3.960 0.005 0.000 0.201 224 G HA3 -0.288 3.674 3.960 0.005 0.000 0.201 224 G C -0.189 174.709 174.900 -0.003 0.000 0.997 224 G CA -0.025 45.084 45.100 0.014 0.000 0.652 224 G HN 0.355 nan 8.290 nan 0.000 0.500 225 N N 1.378 120.062 118.700 -0.026 0.000 3.083 225 N HA 0.478 5.221 4.740 0.005 0.000 0.260 225 N C 0.459 175.946 175.510 -0.038 0.000 1.163 225 N CA -0.487 52.528 53.050 -0.059 0.000 1.060 225 N CB -0.142 38.307 38.487 -0.064 0.000 1.345 225 N HN 0.143 nan 8.380 nan 0.000 0.515 226 L N 1.735 122.959 121.223 0.001 0.000 2.473 226 L HA 0.308 4.650 4.340 0.005 0.000 0.268 226 L C 0.777 177.795 176.870 0.247 0.000 1.215 226 L CA 0.584 55.516 54.840 0.154 0.000 0.823 226 L CB 0.191 42.444 42.059 0.323 0.000 1.099 226 L HN 0.385 nan 8.230 nan 0.000 0.483 227 R N 0.613 121.274 120.500 0.268 0.000 2.515 227 R HA 0.355 4.697 4.340 0.005 0.000 0.291 227 R C -0.810 175.658 176.300 0.281 0.000 1.046 227 R CA -0.566 55.695 56.100 0.268 0.000 0.914 227 R CB 1.659 31.960 30.300 0.001 0.000 1.191 227 R HN 0.602 nan 8.270 nan 0.000 0.435 228 S N 1.630 117.471 115.700 0.235 0.000 2.549 228 S HA 0.424 4.897 4.470 0.005 0.000 0.286 228 S C -0.114 174.555 174.600 0.114 0.000 1.314 228 S CA -0.080 58.159 58.200 0.064 0.000 1.062 228 S CB 1.121 64.266 63.200 -0.092 0.000 0.865 228 S HN 0.703 nan 8.310 nan 0.000 0.498 229 A N 2.687 125.550 122.820 0.072 0.000 2.612 229 A HA 0.803 5.126 4.320 0.005 0.000 0.293 229 A C -1.295 176.373 177.584 0.140 0.000 1.075 229 A CA -0.657 51.403 52.037 0.039 0.000 0.680 229 A CB 1.175 20.178 19.000 0.005 0.000 1.279 229 A HN 0.785 nan 8.150 nan 0.000 0.411 230 I N 0.458 121.119 120.570 0.153 0.000 2.722 230 I HA 0.622 4.795 4.170 0.005 0.000 0.295 230 I C -1.103 175.158 176.117 0.241 0.000 1.161 230 I CA -0.206 61.262 61.300 0.281 0.000 1.032 230 I CB 2.441 40.568 38.000 0.212 0.000 1.244 230 I HN 0.611 nan 8.210 nan 0.000 0.421 231 T N 6.271 120.974 114.554 0.248 0.000 2.772 231 T HA 0.385 4.738 4.350 0.005 0.000 0.288 231 T C -0.594 173.978 174.700 -0.213 0.000 0.994 231 T CA -0.327 61.779 62.100 0.011 0.000 0.951 231 T CB 1.332 70.183 68.868 -0.028 0.000 0.933 231 T HN 0.259 nan 8.240 nan 0.000 0.447 232 V N 5.618 125.349 119.914 -0.306 0.000 2.320 232 V HA 0.385 4.508 4.120 0.005 0.000 0.265 232 V C -0.118 175.714 176.094 -0.437 0.000 1.048 232 V CA -0.685 61.429 62.300 -0.310 0.000 0.865 232 V CB -0.708 30.896 31.823 -0.366 0.000 1.043 232 V HN 0.706 nan 8.190 nan 0.000 0.474 233 F N 5.922 125.786 119.950 -0.144 0.000 2.352 233 F HA 0.458 4.989 4.527 0.006 0.000 0.304 233 F C -1.525 174.158 175.800 -0.195 0.000 1.215 233 F CA -1.994 55.820 58.000 -0.311 0.000 1.121 233 F CB 0.019 38.788 39.000 -0.385 0.000 1.329 233 F HN 0.296 nan 8.300 nan 0.000 0.528 234 P HA 0.123 nan 4.420 nan 0.000 0.275 234 P C -1.489 175.844 177.300 0.055 0.000 1.266 234 P CA -0.566 62.489 63.100 -0.074 0.000 0.793 234 P CB 0.351 31.951 31.700 -0.168 0.000 1.074 235 Q N -0.366 119.399 119.800 -0.059 0.000 2.257 235 Q HA 0.417 4.760 4.340 0.005 0.000 0.262 235 Q C -0.203 175.715 176.000 -0.137 0.000 0.997 235 Q CA -1.054 54.560 55.803 -0.314 0.000 0.873 235 Q CB 1.312 29.564 28.738 -0.811 0.000 1.312 235 Q HN 0.222 nan 8.270 nan 0.000 0.450 236 R N 0.412 120.824 120.500 -0.146 0.000 2.566 236 R HA 0.178 4.521 4.340 0.005 0.000 0.273 236 R C -0.976 175.274 176.300 -0.082 0.000 0.981 236 R CA 0.851 56.910 56.100 -0.068 0.000 1.091 236 R CB 0.261 30.515 30.300 -0.077 0.000 0.924 236 R HN 0.742 nan 8.270 nan 0.000 0.411 237 A N 5.601 128.401 122.820 -0.033 0.000 2.423 237 A HA 0.562 4.885 4.320 0.005 0.000 0.304 237 A C -2.382 175.188 177.584 -0.023 0.000 1.104 237 A CA -1.669 50.348 52.037 -0.033 0.000 0.757 237 A CB 1.299 20.298 19.000 -0.001 0.000 1.313 237 A HN 0.615 nan 8.150 nan 0.000 0.423 238 P HA 0.123 nan 4.420 nan 0.000 0.257 238 P C 1.004 178.301 177.300 -0.005 0.000 1.189 238 P CA 1.648 64.741 63.100 -0.012 0.000 0.780 238 P CB 0.177 31.873 31.700 -0.006 0.000 0.772 239 G N 2.674 111.471 108.800 -0.006 0.000 2.216 239 G HA2 -0.309 3.654 3.960 0.005 0.000 0.269 239 G HA3 -0.309 3.654 3.960 0.005 0.000 0.269 239 G C 0.543 175.441 174.900 -0.003 0.000 0.981 239 G CA 0.167 45.265 45.100 -0.003 0.000 0.658 239 G HN 0.752 nan 8.290 nan 0.000 0.539 240 R N 1.359 121.857 120.500 -0.004 0.000 2.500 240 R HA 0.539 4.882 4.340 0.005 0.000 0.277 240 R C 1.171 177.463 176.300 -0.013 0.000 1.026 240 R CA 0.252 56.348 56.100 -0.006 0.000 1.058 240 R CB 0.388 30.690 30.300 0.003 0.000 1.078 240 R HN 0.331 nan 8.270 nan 0.000 0.509 241 G N 1.824 110.606 108.800 -0.029 0.000 2.771 241 G HA2 -0.055 3.908 3.960 0.005 0.000 0.242 241 G HA3 -0.055 3.908 3.960 0.005 0.000 0.242 241 G C -0.611 174.265 174.900 -0.040 0.000 1.233 241 G CA -0.239 44.836 45.100 -0.042 0.000 0.858 241 G HN 0.596 nan 8.290 nan 0.000 0.591 242 D N -0.942 119.444 120.400 -0.023 0.000 2.229 242 D HA 0.415 5.058 4.640 0.005 0.000 0.249 242 D C -0.356 175.933 176.300 -0.017 0.000 1.027 242 D CA -0.216 53.800 54.000 0.026 0.000 0.923 242 D CB 1.123 41.956 40.800 0.054 0.000 1.174 242 D HN 0.134 nan 8.370 nan 0.000 0.443 243 F N 1.481 121.450 119.950 0.032 0.000 2.438 243 F HA 0.329 4.859 4.527 0.006 0.000 0.356 243 F C 0.944 176.767 175.800 0.038 0.000 1.099 243 F CA 0.060 58.069 58.000 0.014 0.000 1.185 243 F CB 0.627 39.632 39.000 0.008 0.000 1.115 243 F HN -0.205 nan 8.300 nan 0.000 0.526 244 R N 4.036 124.659 120.500 0.205 0.000 2.621 244 R HA 0.464 4.807 4.340 0.005 0.000 0.284 244 R C -1.162 175.268 176.300 0.217 0.000 0.998 244 R CA -1.000 55.232 56.100 0.220 0.000 0.895 244 R CB 2.029 32.496 30.300 0.278 0.000 1.195 244 R HN 0.609 nan 8.270 nan 0.000 0.450 245 I N 2.729 123.404 120.570 0.175 0.000 2.337 245 I HA 0.098 4.271 4.170 0.005 0.000 0.291 245 I C 0.715 177.021 176.117 0.314 0.000 1.046 245 I CA -0.240 61.167 61.300 0.178 0.000 1.324 245 I CB 0.764 38.812 38.000 0.079 0.000 1.409 245 I HN 0.519 nan 8.210 nan 0.000 0.494 246 W N 3.692 125.023 121.300 0.050 0.000 2.388 246 W HA -0.099 4.563 4.660 0.004 0.000 0.294 246 W C 0.992 177.599 176.519 0.146 0.000 1.212 246 W CA 0.245 57.676 57.345 0.144 0.000 1.271 246 W CB -0.920 28.618 29.460 0.130 0.000 1.126 246 W HN 0.405 nan 8.180 nan 0.000 0.535 247 N N -0.054 118.793 118.700 0.246 0.000 2.482 247 N HA 0.028 4.770 4.740 0.005 0.000 0.260 247 N C 1.288 176.849 175.510 0.086 0.000 1.236 247 N CA 0.819 53.942 53.050 0.122 0.000 0.938 247 N CB 0.719 39.216 38.487 0.016 0.000 1.128 247 N HN -0.102 nan 8.380 nan 0.000 0.448 248 S N 0.454 116.196 115.700 0.070 0.000 2.406 248 S HA -0.007 4.466 4.470 0.005 0.000 0.224 248 S C 0.465 175.052 174.600 -0.022 0.000 1.030 248 S CA 0.549 58.778 58.200 0.048 0.000 0.958 248 S CB 0.087 63.340 63.200 0.089 0.000 0.811 248 S HN 0.609 nan 8.310 nan 0.000 0.489 249 Q N -0.364 119.414 119.800 -0.036 0.000 2.351 249 Q HA 0.522 4.865 4.340 0.005 0.000 0.273 249 Q C 0.523 176.434 176.000 -0.148 0.000 1.077 249 Q CA -0.519 55.224 55.803 -0.099 0.000 0.843 249 Q CB 1.980 30.692 28.738 -0.044 0.000 1.367 249 Q HN 0.206 nan 8.270 nan 0.000 0.449 250 L N 0.209 121.313 121.223 -0.197 0.000 2.027 250 L HA -0.006 4.337 4.340 0.005 0.000 0.206 250 L C 0.560 177.265 176.870 -0.275 0.000 1.074 250 L CA 0.880 55.599 54.840 -0.202 0.000 0.745 250 L CB 0.021 41.952 42.059 -0.214 0.000 0.898 250 L HN 0.285 nan 8.230 nan 0.000 0.433 251 V N 1.359 121.020 119.914 -0.421 0.000 2.370 251 V HA 0.402 4.525 4.120 0.005 0.000 0.279 251 V C -0.093 175.473 176.094 -0.879 0.000 1.029 251 V CA -0.541 61.310 62.300 -0.748 0.000 0.870 251 V CB 1.294 32.441 31.823 -1.128 0.000 0.984 251 V HN 0.232 nan 8.190 nan 0.000 0.451 252 R N 2.999 123.092 120.500 -0.679 0.000 2.626 252 R HA 0.447 4.790 4.340 0.005 0.000 0.274 252 R C -1.743 174.302 176.300 -0.426 0.000 1.031 252 R CA -0.800 55.038 56.100 -0.437 0.000 0.898 252 R CB 2.328 32.517 30.300 -0.185 0.000 1.222 252 R HN 0.567 nan 8.270 nan 0.000 0.455 253 Y N 0.570 120.863 120.300 -0.012 0.000 2.299 253 Y HA 0.385 4.938 4.550 0.005 0.000 0.326 253 Y C 1.127 177.001 175.900 -0.044 0.000 1.164 253 Y CA -0.293 57.823 58.100 0.026 0.000 1.234 253 Y CB 0.931 39.485 38.460 0.157 0.000 1.219 253 Y HN 0.681 nan 8.280 nan 0.000 0.497 254 A N 1.741 124.608 122.820 0.079 0.000 2.492 254 A HA 0.515 4.838 4.320 0.005 0.000 0.236 254 A C 0.629 177.990 177.584 -0.372 0.000 1.078 254 A CA 0.402 52.320 52.037 -0.199 0.000 0.773 254 A CB -0.338 18.487 19.000 -0.291 0.000 1.023 254 A HN 0.992 nan 8.150 nan 0.000 0.504 255 G N 0.162 108.670 108.800 -0.486 0.000 2.782 255 G HA2 0.527 4.489 3.960 0.005 0.000 0.280 255 G HA3 0.527 4.489 3.960 0.005 0.000 0.280 255 G C -1.335 173.391 174.900 -0.290 0.000 1.526 255 G CA -0.273 44.617 45.100 -0.350 0.000 1.083 255 G HN 0.472 nan 8.290 nan 0.000 0.552 256 Y N 1.224 121.536 120.300 0.020 0.000 2.353 256 Y HA 0.460 5.012 4.550 0.005 0.000 0.340 256 Y C 0.931 176.830 175.900 -0.002 0.000 0.972 256 Y CA -1.232 56.879 58.100 0.018 0.000 1.157 256 Y CB 1.383 39.849 38.460 0.011 0.000 1.157 256 Y HN 0.534 nan 8.280 nan 0.000 0.495 257 R N 3.510 124.093 120.500 0.139 0.000 2.351 257 R HA 0.102 4.444 4.340 0.005 0.000 0.318 257 R C -0.375 175.964 176.300 0.066 0.000 1.055 257 R CA -0.229 55.915 56.100 0.074 0.000 0.968 257 R CB 0.328 30.659 30.300 0.051 0.000 0.974 257 R HN 0.599 nan 8.270 nan 0.000 0.439 258 Q N 2.950 122.778 119.800 0.046 0.000 2.260 258 Q HA 0.020 4.363 4.340 0.005 0.000 0.242 258 Q C 0.309 176.318 176.000 0.014 0.000 0.932 258 Q CA -0.350 55.471 55.803 0.028 0.000 0.891 258 Q CB 1.424 30.176 28.738 0.022 0.000 1.222 258 Q HN 0.597 nan 8.270 nan 0.000 0.453 259 Q N 0.800 120.602 119.800 0.004 0.000 2.500 259 Q HA -0.129 4.214 4.340 0.005 0.000 0.213 259 Q C 1.021 177.021 176.000 -0.001 0.000 0.974 259 Q CA 1.160 56.963 55.803 -0.001 0.000 0.918 259 Q CB 0.214 28.947 28.738 -0.010 0.000 0.980 259 Q HN 0.617 nan 8.270 nan 0.000 0.505 260 D N -3.515 116.886 120.400 0.001 0.000 2.338 260 D HA 0.079 4.722 4.640 0.005 0.000 0.224 260 D C 1.293 177.596 176.300 0.005 0.000 0.967 260 D CA 1.147 55.148 54.000 0.002 0.000 0.896 260 D CB 0.422 41.222 40.800 0.000 0.000 1.028 260 D HN 0.243 nan 8.370 nan 0.000 0.493 261 G N 0.663 109.468 108.800 0.008 0.000 3.609 261 G HA2 -0.126 3.837 3.960 0.005 0.000 0.219 261 G HA3 -0.126 3.837 3.960 0.005 0.000 0.219 261 G C 0.498 175.405 174.900 0.012 0.000 0.951 261 G CA 0.338 45.444 45.100 0.010 0.000 0.867 261 G HN 0.539 nan 8.290 nan 0.000 0.478 262 S N -0.129 115.578 115.700 0.011 0.000 2.598 262 S HA 0.554 5.027 4.470 0.005 0.000 0.256 262 S C 0.052 174.660 174.600 0.012 0.000 1.350 262 S CA 0.233 58.439 58.200 0.010 0.000 0.984 262 S CB 1.703 64.908 63.200 0.008 0.000 0.930 262 S HN 0.961 nan 8.310 nan 0.000 0.577 263 V N 1.026 120.940 119.914 0.001 0.000 2.531 263 V HA 0.522 4.645 4.120 0.005 0.000 0.301 263 V C 0.006 176.090 176.094 -0.016 0.000 1.034 263 V CA -0.755 61.541 62.300 -0.005 0.000 0.865 263 V CB 1.437 33.237 31.823 -0.037 0.000 0.995 263 V HN 0.907 nan 8.190 nan 0.000 0.424 264 R N 3.006 123.528 120.500 0.038 0.000 2.294 264 R HA 0.713 5.056 4.340 0.005 0.000 0.319 264 R C 0.512 176.821 176.300 0.014 0.000 0.984 264 R CA 0.873 57.004 56.100 0.052 0.000 0.861 264 R CB 1.195 31.575 30.300 0.134 0.000 1.104 264 R HN 1.187 nan 8.270 nan 0.000 0.451 265 G N 2.807 111.535 108.800 -0.120 0.000 2.418 265 G HA2 -0.221 3.742 3.960 0.005 0.000 0.206 265 G HA3 -0.221 3.742 3.960 0.005 0.000 0.206 265 G C -1.471 173.142 174.900 -0.479 0.000 1.202 265 G CA -0.238 44.723 45.100 -0.231 0.000 1.061 265 G HN 0.625 nan 8.290 nan 0.000 0.563 266 D N 1.307 121.484 120.400 -0.372 0.000 2.313 266 D HA 0.549 5.192 4.640 0.005 0.000 0.239 266 D C -1.199 174.965 176.300 -0.225 0.000 1.142 266 D CA -1.919 51.822 54.000 -0.433 0.000 0.847 266 D CB 1.633 42.459 40.800 0.043 0.000 1.082 266 D HN -0.022 nan 8.370 nan 0.000 0.480 267 P HA -0.035 nan 4.420 nan 0.000 0.225 267 P C 0.869 178.155 177.300 -0.022 0.000 1.148 267 P CA 0.700 63.742 63.100 -0.098 0.000 0.779 267 P CB 0.272 31.927 31.700 -0.076 0.000 0.780 268 A N -0.437 122.384 122.820 0.002 0.000 2.067 268 A HA -0.113 4.210 4.320 0.005 0.000 0.219 268 A C 1.534 179.155 177.584 0.060 0.000 1.158 268 A CA 1.341 53.417 52.037 0.065 0.000 0.661 268 A CB -0.771 18.294 19.000 0.109 0.000 0.801 268 A HN 0.143 nan 8.150 nan 0.000 0.452 269 N N -0.388 118.327 118.700 0.025 0.000 2.401 269 N HA 0.204 4.947 4.740 0.005 0.000 0.264 269 N C 0.905 176.398 175.510 -0.027 0.000 1.238 269 N CA 0.067 53.124 53.050 0.011 0.000 0.889 269 N CB 0.917 39.410 38.487 0.009 0.000 1.196 269 N HN 0.178 nan 8.380 nan 0.000 0.511 270 V N 0.781 120.685 119.914 -0.016 0.000 2.244 270 V HA -0.221 3.902 4.120 0.005 0.000 0.244 270 V C 2.449 178.534 176.094 -0.016 0.000 1.042 270 V CA 1.863 64.151 62.300 -0.020 0.000 1.006 270 V CB -0.280 31.542 31.823 -0.002 0.000 0.641 270 V HN 0.386 nan 8.190 nan 0.000 0.446 271 E N 0.081 120.273 120.200 -0.015 0.000 2.058 271 E HA -0.289 4.064 4.350 0.005 0.000 0.194 271 E C 2.097 178.620 176.600 -0.128 0.000 0.997 271 E CA 2.145 58.510 56.400 -0.058 0.000 0.801 271 E CB -0.311 29.371 29.700 -0.030 0.000 0.746 271 E HN 0.503 nan 8.360 nan 0.000 0.450 272 I N 0.741 121.248 120.570 -0.105 0.000 2.315 272 I HA -0.206 3.967 4.170 0.005 0.000 0.248 272 I C 2.008 178.088 176.117 -0.061 0.000 1.117 272 I CA 1.660 62.890 61.300 -0.117 0.000 1.404 272 I CB -0.489 37.486 38.000 -0.041 0.000 1.071 272 I HN 0.125 nan 8.210 nan 0.000 0.419 273 T N 0.579 115.116 114.554 -0.029 0.000 2.622 273 T HA -0.227 4.126 4.350 0.005 0.000 0.266 273 T C 1.729 176.500 174.700 0.119 0.000 1.047 273 T CA 1.994 64.124 62.100 0.050 0.000 1.159 273 T CB -0.399 68.482 68.868 0.021 0.000 0.863 273 T HN 0.477 nan 8.240 nan 0.000 0.422 274 E N 0.440 120.677 120.200 0.062 0.000 2.333 274 E HA -0.080 4.273 4.350 0.005 0.000 0.200 274 E C 1.951 178.578 176.600 0.044 0.000 1.010 274 E CA 0.641 57.075 56.400 0.057 0.000 0.841 274 E CB -0.209 29.498 29.700 0.011 0.000 0.757 274 E HN 0.447 nan 8.360 nan 0.000 0.508 275 L N -0.666 120.568 121.223 0.018 0.000 2.416 275 L HA -0.044 4.299 4.340 0.005 0.000 0.216 275 L C 2.185 179.189 176.870 0.223 0.000 1.098 275 L CA 0.067 54.951 54.840 0.073 0.000 0.840 275 L CB 0.161 42.187 42.059 -0.054 0.000 0.981 275 L HN 0.259 nan 8.230 nan 0.000 0.462 276 C N -0.103 119.294 119.300 0.161 0.000 2.486 276 C HA -0.045 4.417 4.460 0.005 0.000 0.279 276 C C 2.631 177.808 174.990 0.312 0.000 1.302 276 C CA 0.237 59.364 59.018 0.182 0.000 1.720 276 C CB -0.367 27.400 27.740 0.045 0.000 2.030 276 C HN 0.407 nan 8.230 nan 0.000 0.490 277 I N 0.749 121.517 120.570 0.329 0.000 2.179 277 I HA -0.278 3.895 4.170 0.005 0.000 0.242 277 I C 2.639 178.821 176.117 0.108 0.000 1.088 277 I CA 1.554 62.987 61.300 0.222 0.000 1.357 277 I CB -0.658 37.431 38.000 0.149 0.000 1.051 277 I HN 0.409 nan 8.210 nan 0.000 0.409 278 Q N -0.047 119.794 119.800 0.069 0.000 2.248 278 Q HA -0.226 4.117 4.340 0.005 0.000 0.208 278 Q C 0.639 176.530 176.000 -0.181 0.000 0.984 278 Q CA 1.384 57.147 55.803 -0.066 0.000 0.875 278 Q CB -0.219 28.454 28.738 -0.108 0.000 0.910 278 Q HN 0.660 nan 8.270 nan 0.000 0.433 279 H N -1.446 117.624 119.070 -0.000 0.000 2.591 279 H HA 0.287 4.846 4.556 0.005 0.000 0.302 279 H C 0.685 176.004 175.328 -0.015 0.000 1.163 279 H CA 0.353 56.377 56.048 -0.039 0.000 1.049 279 H CB 0.351 30.051 29.762 -0.103 0.000 1.543 279 H HN 0.354 nan 8.280 nan 0.000 0.523 280 G N 0.072 108.919 108.800 0.079 0.000 2.155 280 G HA2 -0.314 3.648 3.960 0.005 0.000 0.257 280 G HA3 -0.314 3.648 3.960 0.005 0.000 0.257 280 G C 0.109 175.081 174.900 0.120 0.000 0.983 280 G CA 0.136 45.271 45.100 0.058 0.000 0.676 280 G HN 0.514 nan 8.290 nan 0.000 0.528 281 W N 2.181 123.467 121.300 -0.024 0.000 2.216 281 W HA 0.592 5.255 4.660 0.005 0.000 0.326 281 W C 0.418 176.933 176.519 -0.008 0.000 1.319 281 W CA 0.175 57.507 57.345 -0.021 0.000 1.213 281 W CB 0.634 30.090 29.460 -0.006 0.000 1.171 281 W HN 0.111 nan 8.180 nan 0.000 0.557 282 T N 9.412 123.667 114.554 -0.499 0.000 2.747 282 T HA 0.212 4.565 4.350 0.005 0.000 0.301 282 T C -2.122 171.834 174.700 -1.241 0.000 0.952 282 T CA -1.086 60.639 62.100 -0.624 0.000 0.983 282 T CB 0.404 69.073 68.868 -0.332 0.000 0.930 282 T HN 0.233 nan 8.240 nan 0.000 0.494 283 P HA 0.258 nan 4.420 nan 0.000 0.272 283 P C 0.577 177.461 177.300 -0.693 0.000 1.223 283 P CA -0.191 62.163 63.100 -1.243 0.000 0.784 283 P CB 0.810 32.175 31.700 -0.560 0.000 0.923 284 G N 1.167 109.727 108.800 -0.401 0.000 2.630 284 G HA2 0.097 4.059 3.960 0.005 0.000 0.223 284 G HA3 0.097 4.059 3.960 0.005 0.000 0.223 284 G C 0.435 175.133 174.900 -0.336 0.000 1.434 284 G CA -0.115 44.886 45.100 -0.165 0.000 1.057 284 G HN 0.540 nan 8.290 nan 0.000 0.570 285 N N -1.789 116.833 118.700 -0.129 0.000 2.118 285 N HA 0.213 4.956 4.740 0.005 0.000 0.226 285 N C 0.447 175.957 175.510 0.000 0.000 1.305 285 N CA 0.411 53.354 53.050 -0.178 0.000 0.890 285 N CB 1.103 39.527 38.487 -0.104 0.000 1.118 285 N HN 0.632 nan 8.380 nan 0.000 0.511 286 G N -0.671 108.243 108.800 0.191 0.000 2.788 286 G HA2 0.368 4.330 3.960 0.005 0.000 0.293 286 G HA3 0.368 4.330 3.960 0.005 0.000 0.293 286 G C 0.296 175.290 174.900 0.157 0.000 1.305 286 G CA -0.495 44.708 45.100 0.171 0.000 1.005 286 G HN 0.096 nan 8.290 nan 0.000 0.496 287 R N -1.140 119.339 120.500 -0.036 0.000 2.276 287 R HA 0.118 4.461 4.340 0.005 0.000 0.203 287 R C -0.171 175.670 176.300 -0.765 0.000 1.017 287 R CA 0.854 56.723 56.100 -0.384 0.000 1.010 287 R CB -0.008 29.940 30.300 -0.587 0.000 0.900 287 R HN 0.346 nan 8.270 nan 0.000 0.469 288 F N 0.197 120.165 119.950 0.029 0.000 2.671 288 F HA 0.217 4.747 4.527 0.005 0.000 0.384 288 F C -0.714 175.201 175.800 0.191 0.000 1.351 288 F CA -1.307 56.554 58.000 -0.232 0.000 1.151 288 F CB 0.469 39.143 39.000 -0.543 0.000 1.147 288 F HN -0.251 nan 8.300 nan 0.000 0.513 289 D N 2.190 122.827 120.400 0.395 0.000 2.358 289 D HA 0.163 4.805 4.640 0.005 0.000 0.258 289 D C 0.340 176.891 176.300 0.419 0.000 1.223 289 D CA 0.359 54.619 54.000 0.433 0.000 0.886 289 D CB 1.610 42.722 40.800 0.519 0.000 1.120 289 D HN -0.058 nan 8.370 nan 0.000 0.482 290 V N 3.448 123.562 119.914 0.332 0.000 2.585 290 V HA 0.023 4.145 4.120 0.005 0.000 0.296 290 V C 1.099 177.178 176.094 -0.026 0.000 1.035 290 V CA -0.455 61.904 62.300 0.097 0.000 1.084 290 V CB 0.133 31.975 31.823 0.032 0.000 0.953 290 V HN 0.331 nan 8.190 nan 0.000 0.483 291 L N 7.398 128.498 121.223 -0.204 0.000 2.436 291 L HA 0.380 4.723 4.340 0.005 0.000 0.265 291 L C -1.611 174.987 176.870 -0.453 0.000 1.168 291 L CA -1.366 53.204 54.840 -0.450 0.000 0.815 291 L CB 1.152 42.984 42.059 -0.379 0.000 1.109 291 L HN 0.519 nan 8.230 nan 0.000 0.462 292 P HA 0.242 nan 4.420 nan 0.000 0.279 292 P C -1.242 175.868 177.300 -0.316 0.000 1.276 292 P CA -0.639 62.183 63.100 -0.464 0.000 0.801 292 P CB 1.159 32.469 31.700 -0.650 0.000 1.127 293 L N 0.829 121.942 121.223 -0.185 0.000 2.295 293 L HA 0.332 4.674 4.340 0.005 0.000 0.285 293 L C -0.125 176.693 176.870 -0.086 0.000 1.035 293 L CA -0.578 54.211 54.840 -0.086 0.000 0.806 293 L CB 0.497 42.572 42.059 0.026 0.000 1.214 293 L HN 0.237 nan 8.230 nan 0.000 0.426 294 L N 5.349 126.523 121.223 -0.081 0.000 2.297 294 L HA 0.472 4.814 4.340 0.005 0.000 0.277 294 L C -0.514 176.268 176.870 -0.146 0.000 1.040 294 L CA 0.168 54.900 54.840 -0.181 0.000 0.867 294 L CB 0.475 42.412 42.059 -0.203 0.000 1.244 294 L HN 0.389 nan 8.230 nan 0.000 0.433 295 L N 3.554 124.713 121.223 -0.105 0.000 2.322 295 L HA 0.591 4.934 4.340 0.005 0.000 0.279 295 L C -0.126 176.655 176.870 -0.149 0.000 1.036 295 L CA -0.537 54.267 54.840 -0.061 0.000 0.807 295 L CB 1.682 43.742 42.059 0.002 0.000 1.226 295 L HN 0.516 nan 8.230 nan 0.000 0.433 296 Q N 2.487 122.230 119.800 -0.096 0.000 2.303 296 Q HA 0.618 4.961 4.340 0.005 0.000 0.267 296 Q C -1.216 174.703 176.000 -0.135 0.000 1.011 296 Q CA -0.573 55.158 55.803 -0.120 0.000 0.740 296 Q CB 1.997 30.723 28.738 -0.021 0.000 1.250 296 Q HN 0.786 nan 8.270 nan 0.000 0.458 297 A N 4.780 127.478 122.820 -0.203 0.000 2.332 297 A HA 0.599 4.922 4.320 0.005 0.000 0.258 297 A C -2.378 174.947 177.584 -0.432 0.000 1.087 297 A CA -1.392 50.379 52.037 -0.443 0.000 0.802 297 A CB 0.005 18.847 19.000 -0.263 0.000 1.042 297 A HN 0.623 nan 8.150 nan 0.000 0.489 298 P HA 0.139 nan 4.420 nan 0.000 0.263 298 P C -0.345 176.846 177.300 -0.181 0.000 1.195 298 P CA 0.667 63.553 63.100 -0.357 0.000 0.762 298 P CB 0.337 31.822 31.700 -0.358 0.000 0.799 299 D N -0.447 119.894 120.400 -0.099 0.000 2.495 299 D HA -0.162 4.481 4.640 0.005 0.000 0.175 299 D C 0.187 176.463 176.300 -0.039 0.000 1.040 299 D CA 1.335 55.307 54.000 -0.048 0.000 1.049 299 D CB -0.803 39.972 40.800 -0.041 0.000 1.105 299 D HN 0.509 nan 8.370 nan 0.000 0.457 300 E N 0.363 120.523 120.200 -0.067 0.000 2.318 300 E HA 0.551 4.904 4.350 0.005 0.000 0.265 300 E C 0.395 176.963 176.600 -0.053 0.000 1.069 300 E CA -0.114 56.252 56.400 -0.057 0.000 0.893 300 E CB 1.149 30.805 29.700 -0.072 0.000 1.076 300 E HN 0.240 nan 8.360 nan 0.000 0.414 301 A N 2.910 125.698 122.820 -0.053 0.000 2.386 301 A HA 0.271 4.594 4.320 0.005 0.000 0.246 301 A C -2.125 175.340 177.584 -0.197 0.000 1.089 301 A CA -1.009 50.982 52.037 -0.076 0.000 0.790 301 A CB -0.345 18.630 19.000 -0.040 0.000 1.042 301 A HN 0.324 nan 8.150 nan 0.000 0.497 302 P HA 0.244 nan 4.420 nan 0.000 0.276 302 P C -0.739 176.303 177.300 -0.429 0.000 1.230 302 P CA 0.035 62.770 63.100 -0.608 0.000 0.776 302 P CB 0.692 31.564 31.700 -1.380 0.000 0.888 303 E N 1.424 121.457 120.200 -0.278 0.000 2.231 303 E HA 0.385 4.738 4.350 0.005 0.000 0.277 303 E C -0.462 175.916 176.600 -0.370 0.000 0.999 303 E CA -0.992 55.236 56.400 -0.285 0.000 0.827 303 E CB 1.295 30.898 29.700 -0.162 0.000 1.101 303 E HN 0.355 nan 8.360 nan 0.000 0.393 304 L N 2.914 123.802 121.223 -0.560 0.000 2.307 304 L HA 0.491 4.834 4.340 0.005 0.000 0.282 304 L C -1.582 174.786 176.870 -0.837 0.000 1.051 304 L CA -0.045 54.496 54.840 -0.498 0.000 0.804 304 L CB 0.307 42.169 42.059 -0.327 0.000 1.197 304 L HN 0.394 nan 8.230 nan 0.000 0.431 305 F N 4.056 123.756 119.950 -0.416 0.000 2.557 305 F HA 0.487 5.018 4.527 0.006 0.000 0.316 305 F C -0.482 175.016 175.800 -0.503 0.000 1.141 305 F CA -0.842 56.757 58.000 -0.669 0.000 0.922 305 F CB 2.064 40.281 39.000 -1.305 0.000 1.194 305 F HN 0.096 nan 8.300 nan 0.000 0.443 306 V N 4.593 124.381 119.914 -0.210 0.000 2.432 306 V HA 0.278 4.401 4.120 0.005 0.000 0.275 306 V C 0.170 176.339 176.094 0.124 0.000 1.043 306 V CA -0.750 61.522 62.300 -0.047 0.000 0.925 306 V CB 1.246 33.080 31.823 0.019 0.000 0.985 306 V HN 0.543 nan 8.190 nan 0.000 0.466 307 L N 7.242 128.554 121.223 0.149 0.000 2.410 307 L HA 0.275 4.618 4.340 0.005 0.000 0.273 307 L C -2.034 174.929 176.870 0.156 0.000 1.144 307 L CA -1.433 53.541 54.840 0.225 0.000 0.863 307 L CB 0.535 42.659 42.059 0.107 0.000 1.140 307 L HN 0.443 nan 8.230 nan 0.000 0.463 308 P HA -0.013 nan 4.420 nan 0.000 0.261 308 P C -1.960 175.384 177.300 0.073 0.000 1.183 308 P CA -0.768 62.397 63.100 0.109 0.000 0.761 308 P CB 0.233 31.986 31.700 0.088 0.000 0.785 309 P HA -0.224 nan 4.420 nan 0.000 0.216 309 P C 1.367 178.694 177.300 0.045 0.000 1.153 309 P CA 1.414 64.550 63.100 0.061 0.000 0.858 309 P CB -0.232 31.508 31.700 0.067 0.000 0.789 310 E N -0.362 119.862 120.200 0.039 0.000 2.396 310 E HA -0.163 4.190 4.350 0.005 0.000 0.200 310 E C 1.504 178.116 176.600 0.021 0.000 1.023 310 E CA 1.045 57.462 56.400 0.027 0.000 0.857 310 E CB -0.957 28.756 29.700 0.023 0.000 0.775 310 E HN 0.246 nan 8.360 nan 0.000 0.525 311 L N 0.711 121.946 121.223 0.021 0.000 2.446 311 L HA 0.033 4.376 4.340 0.005 0.000 0.219 311 L C 0.937 177.815 176.870 0.013 0.000 1.116 311 L CA 0.500 55.346 54.840 0.010 0.000 0.844 311 L CB 0.683 42.741 42.059 -0.001 0.000 0.970 311 L HN -0.088 nan 8.230 nan 0.000 0.457 312 V N 1.221 121.146 119.914 0.017 0.000 2.154 312 V HA 0.175 4.298 4.120 0.005 0.000 0.265 312 V C 0.125 176.244 176.094 0.041 0.000 1.293 312 V CA -0.861 61.444 62.300 0.010 0.000 1.205 312 V CB 0.296 32.109 31.823 -0.017 0.000 1.306 312 V HN 0.035 nan 8.190 nan 0.000 0.479 313 L N 3.329 124.583 121.223 0.051 0.000 2.601 313 L HA 0.129 4.472 4.340 0.005 0.000 0.277 313 L C 0.371 177.289 176.870 0.079 0.000 1.219 313 L CA 1.281 56.152 54.840 0.052 0.000 0.915 313 L CB -0.010 42.077 42.059 0.048 0.000 1.160 313 L HN 0.601 nan 8.230 nan 0.000 0.494 314 E N 2.880 123.105 120.200 0.042 0.000 2.336 314 E HA 0.586 4.939 4.350 0.005 0.000 0.267 314 E C -1.396 175.156 176.600 -0.080 0.000 0.906 314 E CA -1.008 55.415 56.400 0.039 0.000 0.781 314 E CB 2.270 32.019 29.700 0.081 0.000 1.261 314 E HN 0.338 nan 8.360 nan 0.000 0.436 315 V N 3.039 122.866 119.914 -0.144 0.000 2.349 315 V HA 0.278 4.401 4.120 0.005 0.000 0.284 315 V C -2.389 173.619 176.094 -0.144 0.000 1.014 315 V CA -2.012 60.126 62.300 -0.270 0.000 0.826 315 V CB 1.069 32.456 31.823 -0.727 0.000 1.009 315 V HN 0.536 nan 8.190 nan 0.000 0.431 316 P HA 0.130 nan 4.420 nan 0.000 0.264 316 P C -0.395 176.892 177.300 -0.022 0.000 1.193 316 P CA 0.312 63.370 63.100 -0.069 0.000 0.763 316 P CB 0.480 32.151 31.700 -0.048 0.000 0.810 317 L N 4.140 125.389 121.223 0.043 0.000 2.334 317 L HA 0.484 4.827 4.340 0.005 0.000 0.277 317 L C 0.892 177.916 176.870 0.257 0.000 1.075 317 L CA -0.109 54.830 54.840 0.165 0.000 0.804 317 L CB 0.705 42.942 42.059 0.296 0.000 1.174 317 L HN 0.494 nan 8.230 nan 0.000 0.438 318 E N 0.625 120.960 120.200 0.224 0.000 2.390 318 E HA 0.340 4.693 4.350 0.005 0.000 0.280 318 E C -1.343 175.284 176.600 0.044 0.000 0.992 318 E CA -0.922 55.627 56.400 0.247 0.000 0.790 318 E CB 1.570 31.373 29.700 0.170 0.000 1.248 318 E HN 0.444 nan 8.360 nan 0.000 0.447 319 H N 1.833 120.794 119.070 -0.182 0.000 2.481 319 H HA 0.202 4.761 4.556 0.005 0.000 0.339 319 H C -1.598 173.507 175.328 -0.372 0.000 1.131 319 H CA -2.063 53.740 56.048 -0.409 0.000 1.301 319 H CB 1.565 31.007 29.762 -0.534 0.000 1.476 319 H HN 0.435 nan 8.280 nan 0.000 0.529 320 P HA -0.149 nan 4.420 nan 0.000 0.215 320 P C 1.172 178.258 177.300 -0.357 0.000 1.157 320 P CA 2.185 64.762 63.100 -0.872 0.000 0.868 320 P CB 0.185 31.331 31.700 -0.923 0.000 0.788 321 T N -4.504 109.963 114.554 -0.145 0.000 2.969 321 T HA 0.196 4.548 4.350 0.005 0.000 0.250 321 T C 0.790 175.480 174.700 -0.017 0.000 1.021 321 T CA -0.130 61.954 62.100 -0.028 0.000 1.003 321 T CB -0.571 68.293 68.868 -0.005 0.000 1.040 321 T HN -0.096 nan 8.240 nan 0.000 0.492 322 L N 2.303 123.536 121.223 0.017 0.000 2.268 322 L HA 0.454 4.797 4.340 0.005 0.000 0.289 322 L C 1.214 177.786 176.870 -0.497 0.000 1.064 322 L CA -0.375 54.175 54.840 -0.483 0.000 0.824 322 L CB 1.182 42.583 42.059 -1.096 0.000 1.202 322 L HN 0.202 nan 8.230 nan 0.000 0.433 323 E N 3.623 123.632 120.200 -0.318 0.000 2.208 323 E HA -0.143 4.210 4.350 0.005 0.000 0.193 323 E C 1.506 178.083 176.600 -0.038 0.000 0.988 323 E CA 1.100 57.434 56.400 -0.110 0.000 0.828 323 E CB 0.142 29.841 29.700 -0.001 0.000 0.763 323 E HN 0.775 nan 8.360 nan 0.000 0.478 324 W N -0.430 120.927 121.300 0.095 0.000 2.519 324 W HA -0.053 4.610 4.660 0.005 0.000 0.266 324 W C 1.474 178.053 176.519 0.100 0.000 1.253 324 W CA -0.168 57.221 57.345 0.073 0.000 1.274 324 W CB -0.863 28.618 29.460 0.035 0.000 1.114 324 W HN -0.020 nan 8.180 nan 0.000 0.596 325 F N 3.164 122.970 119.950 -0.241 0.000 2.161 325 F HA -0.085 4.445 4.527 0.005 0.000 0.300 325 F C 2.603 178.458 175.800 0.091 0.000 1.089 325 F CA 2.680 60.644 58.000 -0.060 0.000 1.282 325 F CB -0.583 38.227 39.000 -0.316 0.000 1.010 325 F HN -0.092 nan 8.300 nan 0.000 0.485 326 A N -0.157 122.820 122.820 0.262 0.000 2.125 326 A HA 0.012 4.335 4.320 0.005 0.000 0.219 326 A C 2.194 179.845 177.584 0.111 0.000 1.156 326 A CA 1.385 53.538 52.037 0.193 0.000 0.671 326 A CB -1.265 17.819 19.000 0.140 0.000 0.794 326 A HN 0.436 nan 8.150 nan 0.000 0.459 327 A N -1.229 121.661 122.820 0.117 0.000 2.218 327 A HA 0.331 4.654 4.320 0.005 0.000 0.209 327 A C 1.503 179.118 177.584 0.051 0.000 1.168 327 A CA 0.413 52.505 52.037 0.091 0.000 0.804 327 A CB -0.223 18.851 19.000 0.124 0.000 0.834 327 A HN 0.323 nan 8.150 nan 0.000 0.482 328 L N -0.680 120.541 121.223 -0.003 0.000 2.456 328 L HA 0.084 4.427 4.340 0.005 0.000 0.224 328 L C 1.925 178.798 176.870 0.005 0.000 1.148 328 L CA 1.158 55.968 54.840 -0.050 0.000 0.825 328 L CB -1.386 40.539 42.059 -0.224 0.000 0.937 328 L HN 0.630 nan 8.230 nan 0.000 0.450 329 G N -0.590 108.220 108.800 0.017 0.000 2.168 329 G HA2 -0.306 3.657 3.960 0.005 0.000 0.257 329 G HA3 -0.306 3.657 3.960 0.005 0.000 0.257 329 G C 0.507 175.414 174.900 0.013 0.000 0.997 329 G CA 0.383 45.507 45.100 0.040 0.000 0.708 329 G HN 0.337 nan 8.290 nan 0.000 0.520 330 L N -0.100 121.104 121.223 -0.032 0.000 2.452 330 L HA 0.644 4.987 4.340 0.005 0.000 0.267 330 L C 1.204 177.866 176.870 -0.346 0.000 1.188 330 L CA -0.049 54.714 54.840 -0.128 0.000 0.821 330 L CB 0.629 42.685 42.059 -0.005 0.000 1.102 330 L HN 0.605 nan 8.230 nan 0.000 0.470 331 R N 1.610 121.690 120.500 -0.699 0.000 2.728 331 R HA 0.432 4.775 4.340 0.005 0.000 0.274 331 R C -2.158 174.025 176.300 -0.196 0.000 1.032 331 R CA -0.997 54.825 56.100 -0.464 0.000 0.866 331 R CB 1.479 31.447 30.300 -0.553 0.000 1.263 331 R HN 0.658 nan 8.270 nan 0.000 0.475 332 W N 1.417 122.617 121.300 -0.167 0.000 3.042 332 W HA 0.418 5.081 4.660 0.004 0.000 0.342 332 W C -1.251 175.355 176.519 0.146 0.000 1.240 332 W CA -0.936 56.430 57.345 0.035 0.000 1.166 332 W CB 2.163 31.577 29.460 -0.076 0.000 1.469 332 W HN 0.678 nan 8.180 nan 0.000 0.579 333 Y N 0.253 120.613 120.300 0.101 0.000 2.432 333 Y HA 0.664 5.216 4.550 0.004 0.000 0.322 333 Y C 0.646 176.822 175.900 0.460 0.000 1.246 333 Y CA -0.269 57.913 58.100 0.137 0.000 1.268 333 Y CB 0.429 38.823 38.460 -0.109 0.000 1.276 333 Y HN 0.324 nan 8.280 nan 0.000 0.499 334 A N 1.290 124.434 122.820 0.539 0.000 2.030 334 A HA 0.136 4.459 4.320 0.005 0.000 0.215 334 A C 0.314 178.257 177.584 0.598 0.000 1.164 334 A CA 0.342 52.728 52.037 0.581 0.000 0.697 334 A CB -0.203 18.990 19.000 0.321 0.000 0.827 334 A HN 0.619 nan 8.150 nan 0.000 0.457 335 L N 1.927 123.464 121.223 0.522 0.000 2.264 335 L HA 0.442 4.785 4.340 0.005 0.000 0.287 335 L C -2.664 174.335 176.870 0.215 0.000 1.039 335 L CA -2.385 52.628 54.840 0.289 0.000 0.829 335 L CB 1.527 43.689 42.059 0.173 0.000 1.211 335 L HN -0.057 nan 8.230 nan 0.000 0.427 336 P HA 0.373 nan 4.420 nan 0.000 0.291 336 P C -1.420 175.786 177.300 -0.156 0.000 1.340 336 P CA -0.307 62.631 63.100 -0.269 0.000 0.799 336 P CB 1.265 32.398 31.700 -0.945 0.000 0.917 337 A N 4.248 126.984 122.820 -0.139 0.000 2.410 337 A HA 0.457 4.780 4.320 0.005 0.000 0.289 337 A C -0.409 176.945 177.584 -0.384 0.000 1.200 337 A CA -0.666 51.215 52.037 -0.260 0.000 0.751 337 A CB 0.896 19.745 19.000 -0.250 0.000 1.161 337 A HN 0.283 nan 8.150 nan 0.000 0.459 338 V N 2.808 122.311 119.914 -0.685 0.000 2.555 338 V HA 0.316 4.439 4.120 0.005 0.000 0.286 338 V C 1.131 176.800 176.094 -0.710 0.000 1.044 338 V CA 1.008 62.862 62.300 -0.742 0.000 1.026 338 V CB 1.218 32.418 31.823 -1.038 0.000 0.981 338 V HN 1.091 nan 8.190 nan 0.000 0.480 339 S N 1.708 117.199 115.700 -0.348 0.000 2.687 339 S HA 0.028 4.501 4.470 0.005 0.000 0.247 339 S C 0.894 175.456 174.600 -0.065 0.000 1.050 339 S CA 0.118 58.200 58.200 -0.197 0.000 1.063 339 S CB -0.325 62.797 63.200 -0.130 0.000 1.039 339 S HN 0.912 nan 8.310 nan 0.000 0.580 340 N N 0.511 119.182 118.700 -0.048 0.000 2.203 340 N HA 0.270 5.013 4.740 0.005 0.000 0.207 340 N C 0.229 175.771 175.510 0.053 0.000 1.130 340 N CA -0.444 52.619 53.050 0.023 0.000 0.861 340 N CB 0.089 38.600 38.487 0.040 0.000 1.005 340 N HN 0.243 nan 8.380 nan 0.000 0.507 341 M N 1.337 120.969 119.600 0.053 0.000 2.288 341 M HA 0.266 4.749 4.480 0.005 0.000 0.334 341 M C -0.465 175.953 176.300 0.198 0.000 1.150 341 M CA -0.761 54.614 55.300 0.125 0.000 1.118 341 M CB 2.301 34.990 32.600 0.148 0.000 1.501 341 M HN 0.134 nan 8.290 nan 0.000 0.462 342 L N 3.226 124.564 121.223 0.193 0.000 2.276 342 L HA 0.408 4.751 4.340 0.005 0.000 0.286 342 L C -1.113 175.902 176.870 0.243 0.000 1.061 342 L CA -0.805 54.149 54.840 0.190 0.000 0.807 342 L CB 0.878 43.001 42.059 0.107 0.000 1.177 342 L HN 0.562 nan 8.230 nan 0.000 0.429 343 L N 5.685 127.059 121.223 0.252 0.000 2.255 343 L HA 0.392 4.735 4.340 0.005 0.000 0.289 343 L C -0.334 176.598 176.870 0.103 0.000 1.046 343 L CA 0.272 55.173 54.840 0.102 0.000 0.816 343 L CB 0.911 43.022 42.059 0.086 0.000 1.197 343 L HN 0.609 nan 8.230 nan 0.000 0.427 344 E N 6.466 126.636 120.200 -0.050 0.000 2.134 344 E HA 0.356 4.708 4.350 0.005 0.000 0.278 344 E C -1.461 175.070 176.600 -0.115 0.000 0.959 344 E CA -0.390 55.988 56.400 -0.037 0.000 0.783 344 E CB 0.992 30.663 29.700 -0.050 0.000 1.095 344 E HN 0.725 nan 8.360 nan 0.000 0.399 345 I N 2.567 123.085 120.570 -0.087 0.000 2.466 345 I HA 0.251 4.424 4.170 0.005 0.000 0.289 345 I C 0.825 176.766 176.117 -0.294 0.000 1.026 345 I CA -0.691 60.434 61.300 -0.291 0.000 1.078 345 I CB 2.029 39.772 38.000 -0.428 0.000 1.249 345 I HN 0.786 nan 8.210 nan 0.000 0.429 346 G N 4.401 113.048 108.800 -0.255 0.000 2.441 346 G HA2 -0.103 3.859 3.960 0.005 0.000 0.298 346 G HA3 -0.103 3.859 3.960 0.005 0.000 0.298 346 G C 1.053 176.006 174.900 0.089 0.000 0.949 346 G CA 0.998 46.103 45.100 0.008 0.000 1.072 346 G HN 1.496 nan 8.290 nan 0.000 0.512 347 G N -1.711 107.104 108.800 0.025 0.000 2.299 347 G HA2 -0.255 3.708 3.960 0.005 0.000 0.237 347 G HA3 -0.255 3.708 3.960 0.005 0.000 0.237 347 G C 0.621 175.500 174.900 -0.034 0.000 1.027 347 G CA 0.338 45.458 45.100 0.034 0.000 0.619 347 G HN 1.268 nan 8.290 nan 0.000 0.513 348 L N 0.956 122.118 121.223 -0.102 0.000 2.426 348 L HA 0.534 4.877 4.340 0.005 0.000 0.271 348 L C 0.427 177.123 176.870 -0.291 0.000 1.169 348 L CA 0.063 54.729 54.840 -0.290 0.000 0.836 348 L CB 0.841 42.626 42.059 -0.457 0.000 1.112 348 L HN 0.212 nan 8.230 nan 0.000 0.465 349 E N 2.511 122.473 120.200 -0.397 0.000 2.186 349 E HA 0.323 4.675 4.350 0.005 0.000 0.255 349 E C -1.435 174.955 176.600 -0.350 0.000 0.881 349 E CA -0.376 55.880 56.400 -0.240 0.000 0.752 349 E CB 1.113 30.736 29.700 -0.128 0.000 1.176 349 E HN 0.256 nan 8.360 nan 0.000 0.421 350 F N 2.189 122.119 119.950 -0.033 0.000 2.334 350 F HA 0.097 4.627 4.527 0.006 0.000 0.365 350 F C 1.604 177.443 175.800 0.064 0.000 1.124 350 F CA -0.455 57.551 58.000 0.010 0.000 1.166 350 F CB 0.975 39.970 39.000 -0.008 0.000 1.355 350 F HN 0.398 nan 8.300 nan 0.000 0.532 351 S N 1.470 117.280 115.700 0.183 0.000 2.515 351 S HA 0.201 4.674 4.470 0.005 0.000 0.231 351 S C 0.844 175.565 174.600 0.202 0.000 0.987 351 S CA 0.329 58.627 58.200 0.163 0.000 0.936 351 S CB 0.022 63.294 63.200 0.120 0.000 0.766 351 S HN 0.512 nan 8.310 nan 0.000 0.528 352 A N 0.557 123.536 122.820 0.264 0.000 2.646 352 A HA 0.820 5.143 4.320 0.005 0.000 0.312 352 A C -0.143 177.662 177.584 0.368 0.000 1.245 352 A CA -0.162 52.042 52.037 0.278 0.000 0.755 352 A CB 0.603 19.752 19.000 0.248 0.000 1.132 352 A HN 0.939 nan 8.150 nan 0.000 0.458 353 A N 3.680 126.672 122.820 0.287 0.000 3.422 353 A HA 0.646 4.969 4.320 0.005 0.000 0.271 353 A C -3.078 174.635 177.584 0.215 0.000 1.104 353 A CA -0.974 51.212 52.037 0.247 0.000 0.899 353 A CB 0.504 19.629 19.000 0.208 0.000 1.309 353 A HN 0.458 nan 8.150 nan 0.000 0.580 354 P HA 0.438 nan 4.420 nan 0.000 0.271 354 P C -0.775 176.509 177.300 -0.027 0.000 1.216 354 P CA 0.265 63.298 63.100 -0.111 0.000 0.771 354 P CB 0.360 31.968 31.700 -0.154 0.000 0.864 355 F N 0.120 120.019 119.950 -0.085 0.000 2.546 355 F HA 0.750 5.279 4.527 0.004 0.000 0.320 355 F C -0.138 175.585 175.800 -0.128 0.000 1.076 355 F CA -1.281 56.678 58.000 -0.068 0.000 0.928 355 F CB 1.554 40.409 39.000 -0.243 0.000 1.189 355 F HN 0.344 nan 8.300 nan 0.000 0.465 356 S N 1.086 116.895 115.700 0.180 0.000 2.568 356 S HA 0.966 5.438 4.470 0.005 0.000 0.293 356 S C -0.567 174.017 174.600 -0.026 0.000 1.089 356 S CA -0.059 58.185 58.200 0.072 0.000 0.945 356 S CB 1.586 64.924 63.200 0.229 0.000 1.077 356 S HN 1.357 nan 8.310 nan 0.000 0.485 357 G N 0.465 109.194 108.800 -0.119 0.000 3.340 357 G HA2 0.727 4.690 3.960 0.005 0.000 0.176 357 G HA3 0.727 4.690 3.960 0.005 0.000 0.176 357 G C -1.412 173.462 174.900 -0.044 0.000 1.103 357 G CA -0.512 44.423 45.100 -0.274 0.000 0.779 357 G HN 1.013 nan 8.290 nan 0.000 0.673 358 W N -1.659 119.640 121.300 -0.002 0.000 2.975 358 W HA 0.821 5.483 4.660 0.002 0.000 0.342 358 W C -1.535 174.974 176.519 -0.017 0.000 1.168 358 W CA -2.060 55.294 57.345 0.015 0.000 1.141 358 W CB 0.449 29.962 29.460 0.088 0.000 1.445 358 W HN 0.399 nan 8.180 nan 0.000 0.560 359 Y N 2.279 122.763 120.300 0.306 0.000 2.314 359 Y HA 0.293 4.846 4.550 0.005 0.000 0.334 359 Y C 0.849 176.811 175.900 0.103 0.000 1.266 359 Y CA -0.797 57.365 58.100 0.104 0.000 1.391 359 Y CB 1.106 39.529 38.460 -0.061 0.000 1.306 359 Y HN 0.419 nan 8.280 nan 0.000 0.558 360 M N 1.735 121.485 119.600 0.250 0.000 2.238 360 M HA 0.191 4.673 4.480 0.005 0.000 0.350 360 M C 1.236 177.534 176.300 -0.003 0.000 1.138 360 M CA -0.232 55.142 55.300 0.124 0.000 1.040 360 M CB 1.295 33.952 32.600 0.094 0.000 1.639 360 M HN 0.872 nan 8.290 nan 0.000 0.451 361 S N 2.023 117.694 115.700 -0.050 0.000 2.409 361 S HA -0.221 4.252 4.470 0.005 0.000 0.237 361 S C 1.278 175.772 174.600 -0.177 0.000 1.060 361 S CA 2.511 60.626 58.200 -0.141 0.000 1.052 361 S CB -1.173 62.001 63.200 -0.042 0.000 0.871 361 S HN 0.932 nan 8.310 nan 0.000 0.465 362 T N -0.513 113.961 114.554 -0.133 0.000 3.023 362 T HA 0.124 4.477 4.350 0.005 0.000 0.266 362 T C 1.580 176.147 174.700 -0.223 0.000 1.093 362 T CA 0.940 62.918 62.100 -0.203 0.000 1.129 362 T CB -0.463 68.255 68.868 -0.249 0.000 0.899 362 T HN 0.625 nan 8.240 nan 0.000 0.491 363 E N 1.099 121.184 120.200 -0.191 0.000 2.110 363 E HA -0.042 4.311 4.350 0.005 0.000 0.193 363 E C 1.966 178.329 176.600 -0.395 0.000 0.988 363 E CA 1.212 57.505 56.400 -0.178 0.000 0.804 363 E CB -0.332 29.393 29.700 0.041 0.000 0.745 363 E HN 0.586 nan 8.360 nan 0.000 0.458 364 I N 0.090 120.293 120.570 -0.612 0.000 2.270 364 I HA -0.041 4.131 4.170 0.005 0.000 0.239 364 I C 2.504 178.263 176.117 -0.597 0.000 1.080 364 I CA 1.027 61.767 61.300 -0.933 0.000 1.383 364 I CB -0.342 37.020 38.000 -1.064 0.000 1.097 364 I HN 0.073 nan 8.210 nan 0.000 0.420 365 G N -0.360 108.208 108.800 -0.387 0.000 2.572 365 G HA2 -0.057 3.906 3.960 0.005 0.000 0.216 365 G HA3 -0.057 3.906 3.960 0.005 0.000 0.216 365 G C 1.425 176.224 174.900 -0.170 0.000 1.133 365 G CA 1.050 46.012 45.100 -0.230 0.000 0.791 365 G HN 0.314 nan 8.290 nan 0.000 0.538 366 T N -0.895 113.539 114.554 -0.200 0.000 3.028 366 T HA 0.168 4.521 4.350 0.005 0.000 0.250 366 T C 2.322 176.930 174.700 -0.153 0.000 0.979 366 T CA -0.170 61.834 62.100 -0.160 0.000 1.004 366 T CB 0.423 69.178 68.868 -0.189 0.000 1.120 366 T HN -0.013 nan 8.240 nan 0.000 0.482 367 R N 2.165 122.555 120.500 -0.183 0.000 2.041 367 R HA 0.257 4.600 4.340 0.005 0.000 0.221 367 R C 2.074 178.284 176.300 -0.151 0.000 1.196 367 R CA 0.833 56.838 56.100 -0.158 0.000 0.969 367 R CB -1.124 29.088 30.300 -0.146 0.000 0.858 367 R HN 0.258 nan 8.270 nan 0.000 0.444 368 N N 1.237 119.813 118.700 -0.207 0.000 2.149 368 N HA -0.107 4.636 4.740 0.005 0.000 0.188 368 N C 1.882 177.385 175.510 -0.012 0.000 1.019 368 N CA 1.122 54.078 53.050 -0.156 0.000 0.857 368 N CB -0.123 38.025 38.487 -0.566 0.000 0.997 368 N HN 0.209 nan 8.380 nan 0.000 0.426 369 L N -0.917 120.234 121.223 -0.120 0.000 2.408 369 L HA 0.130 4.472 4.340 0.005 0.000 0.215 369 L C 1.264 178.175 176.870 0.067 0.000 1.081 369 L CA 0.289 55.136 54.840 0.011 0.000 0.840 369 L CB 0.284 42.304 42.059 -0.066 0.000 1.002 369 L HN 0.132 nan 8.230 nan 0.000 0.468 370 C N -1.758 117.542 119.300 0.000 0.000 3.230 370 C HA 0.192 4.655 4.460 0.005 0.000 0.300 370 C C 0.642 175.629 174.990 -0.006 0.000 1.292 370 C CA -0.860 58.165 59.018 0.012 0.000 1.707 370 C CB -0.096 27.636 27.740 -0.012 0.000 2.181 370 C HN 0.270 nan 8.230 nan 0.000 0.655 371 D N 3.224 123.591 120.400 -0.055 0.000 2.493 371 D HA 0.058 4.701 4.640 0.005 0.000 0.240 371 D C -1.204 175.080 176.300 -0.026 0.000 1.142 371 D CA -1.232 52.713 54.000 -0.091 0.000 0.872 371 D CB 0.749 41.349 40.800 -0.332 0.000 1.173 371 D HN 0.181 nan 8.370 nan 0.000 0.467 372 P HA -0.169 nan 4.420 nan 0.000 0.218 372 P C 0.799 178.185 177.300 0.144 0.000 1.148 372 P CA 1.331 64.507 63.100 0.127 0.000 0.822 372 P CB -0.054 31.734 31.700 0.147 0.000 0.784 373 H N -2.480 116.600 119.070 0.016 0.000 2.524 373 H HA 0.326 4.885 4.556 0.005 0.000 0.280 373 H C 1.002 176.333 175.328 0.005 0.000 1.018 373 H CA -0.134 55.919 56.048 0.010 0.000 1.165 373 H CB -0.053 29.715 29.762 0.010 0.000 1.411 373 H HN -0.023 nan 8.280 nan 0.000 0.569 374 R N -0.205 120.190 120.500 -0.174 0.000 3.006 374 R HA 0.177 4.520 4.340 0.005 0.000 0.150 374 R C 1.143 177.391 176.300 -0.086 0.000 1.285 374 R CA -0.727 55.292 56.100 -0.135 0.000 0.813 374 R CB -0.862 29.382 30.300 -0.093 0.000 1.582 374 R HN 0.096 nan 8.270 nan 0.000 0.441 375 Y N 1.726 122.038 120.300 0.019 0.000 2.403 375 Y HA -0.091 4.462 4.550 0.005 0.000 0.291 375 Y C 0.779 176.699 175.900 0.033 0.000 1.143 375 Y CA 1.457 59.582 58.100 0.042 0.000 1.257 375 Y CB -0.279 38.239 38.460 0.096 0.000 0.984 375 Y HN 0.549 nan 8.280 nan 0.000 0.550 376 N N 0.854 119.639 118.700 0.143 0.000 2.699 376 N HA -0.233 4.510 4.740 0.005 0.000 0.256 376 N C 0.427 176.015 175.510 0.130 0.000 0.993 376 N CA 0.324 53.439 53.050 0.109 0.000 0.759 376 N CB -1.030 37.505 38.487 0.080 0.000 0.906 376 N HN 0.615 nan 8.380 nan 0.000 0.541 377 I N -3.032 117.626 120.570 0.147 0.000 3.810 377 I HA 0.048 4.220 4.170 0.005 0.000 0.322 377 I C 1.557 177.761 176.117 0.145 0.000 1.288 377 I CA -0.439 60.944 61.300 0.138 0.000 1.143 377 I CB 0.063 38.146 38.000 0.138 0.000 1.012 377 I HN 0.112 nan 8.210 nan 0.000 0.423 378 L N 1.441 122.760 121.223 0.160 0.000 1.994 378 L HA -0.130 4.213 4.340 0.005 0.000 0.208 378 L C 2.530 179.590 176.870 0.316 0.000 1.071 378 L CA 1.922 56.888 54.840 0.211 0.000 0.745 378 L CB -1.004 41.154 42.059 0.164 0.000 0.892 378 L HN 0.452 nan 8.230 nan 0.000 0.431 379 E N -0.869 119.518 120.200 0.312 0.000 2.077 379 E HA -0.236 4.117 4.350 0.005 0.000 0.193 379 E C 1.720 178.355 176.600 0.059 0.000 0.989 379 E CA 1.251 57.775 56.400 0.206 0.000 0.800 379 E CB 0.088 29.858 29.700 0.116 0.000 0.746 379 E HN 0.482 nan 8.360 nan 0.000 0.452 380 D N -0.077 120.360 120.400 0.062 0.000 2.116 380 D HA -0.151 4.492 4.640 0.005 0.000 0.193 380 D C 1.965 178.255 176.300 -0.016 0.000 0.998 380 D CA 1.044 55.048 54.000 0.006 0.000 0.836 380 D CB -0.066 40.748 40.800 0.023 0.000 0.951 380 D HN 0.097 nan 8.370 nan 0.000 0.449 381 V N 0.840 120.793 119.914 0.065 0.000 2.649 381 V HA -0.065 4.058 4.120 0.005 0.000 0.248 381 V C 2.367 178.521 176.094 0.099 0.000 1.054 381 V CA 1.299 63.664 62.300 0.109 0.000 1.073 381 V CB -0.367 31.608 31.823 0.253 0.000 0.699 381 V HN 0.154 nan 8.190 nan 0.000 0.463 382 A N -0.282 122.617 122.820 0.132 0.000 2.015 382 A HA -0.123 4.200 4.320 0.005 0.000 0.219 382 A C 2.359 179.919 177.584 -0.039 0.000 1.163 382 A CA 1.712 53.826 52.037 0.129 0.000 0.646 382 A CB -0.461 18.708 19.000 0.282 0.000 0.806 382 A HN 0.327 nan 8.150 nan 0.000 0.448 383 V N -1.018 118.825 119.914 -0.119 0.000 2.358 383 V HA -0.281 3.841 4.120 0.005 0.000 0.246 383 V C 2.597 178.538 176.094 -0.254 0.000 1.047 383 V CA 2.015 64.204 62.300 -0.184 0.000 1.035 383 V CB -0.800 30.916 31.823 -0.177 0.000 0.658 383 V HN 0.724 nan 8.190 nan 0.000 0.452 384 C N -0.542 118.530 119.300 -0.379 0.000 2.446 384 C HA -0.148 4.314 4.460 0.005 0.000 0.277 384 C C 2.754 177.342 174.990 -0.669 0.000 1.275 384 C CA 0.934 59.480 59.018 -0.787 0.000 1.727 384 C CB -0.916 26.004 27.740 -1.368 0.000 2.010 384 C HN 0.500 nan 8.230 nan 0.000 0.486 385 M N -0.346 119.116 119.600 -0.230 0.000 2.476 385 M HA -0.055 4.428 4.480 0.005 0.000 0.262 385 M C 0.651 176.960 176.300 0.014 0.000 1.079 385 M CA 1.502 56.856 55.300 0.091 0.000 1.104 385 M CB -0.528 32.194 32.600 0.202 0.000 1.409 385 M HN 0.397 nan 8.290 nan 0.000 0.467 386 D N 0.393 120.747 120.400 -0.076 0.000 2.988 386 D HA -0.113 4.530 4.640 0.005 0.000 0.221 386 D C -0.855 175.421 176.300 -0.040 0.000 1.122 386 D CA 0.158 54.114 54.000 -0.073 0.000 0.821 386 D CB -0.914 39.854 40.800 -0.054 0.000 1.098 386 D HN 0.245 nan 8.370 nan 0.000 0.433 387 L N 0.240 121.445 121.223 -0.031 0.000 2.379 387 L HA 0.340 4.683 4.340 0.005 0.000 0.269 387 L C 0.884 177.700 176.870 -0.090 0.000 1.084 387 L CA -0.729 54.112 54.840 0.001 0.000 0.802 387 L CB 0.758 42.881 42.059 0.107 0.000 1.175 387 L HN 0.082 nan 8.230 nan 0.000 0.448 388 D N 1.348 121.715 120.400 -0.055 0.000 2.357 388 D HA -0.039 4.603 4.640 0.005 0.000 0.265 388 D C 1.048 177.163 176.300 -0.307 0.000 1.334 388 D CA 0.066 53.996 54.000 -0.117 0.000 0.984 388 D CB 0.800 41.586 40.800 -0.023 0.000 1.077 388 D HN 0.644 nan 8.370 nan 0.000 0.514 389 T N 1.006 115.211 114.554 -0.581 0.000 3.086 389 T HA 0.105 4.458 4.350 0.005 0.000 0.250 389 T C 1.604 175.950 174.700 -0.590 0.000 1.074 389 T CA -0.177 61.173 62.100 -1.250 0.000 0.988 389 T CB 0.174 68.166 68.868 -1.461 0.000 0.988 389 T HN 0.084 nan 8.240 nan 0.000 0.530 390 R N 1.164 121.502 120.500 -0.270 0.000 2.280 390 R HA 0.233 4.576 4.340 0.005 0.000 0.207 390 R C 0.753 177.061 176.300 0.014 0.000 1.043 390 R CA 0.620 56.659 56.100 -0.102 0.000 1.006 390 R CB -0.164 30.090 30.300 -0.077 0.000 0.885 390 R HN 0.491 nan 8.270 nan 0.000 0.467 391 T N -2.826 111.781 114.554 0.089 0.000 2.932 391 T HA 0.146 4.499 4.350 0.005 0.000 0.318 391 T C 0.969 175.862 174.700 0.322 0.000 1.265 391 T CA -0.251 61.953 62.100 0.173 0.000 1.036 391 T CB 1.408 70.336 68.868 0.100 0.000 1.209 391 T HN 0.172 nan 8.240 nan 0.000 0.484 392 T N 0.877 115.569 114.554 0.230 0.000 2.857 392 T HA -0.016 4.337 4.350 0.005 0.000 0.266 392 T C 2.034 176.793 174.700 0.099 0.000 1.048 392 T CA 1.570 63.762 62.100 0.154 0.000 1.139 392 T CB -0.620 68.285 68.868 0.061 0.000 0.874 392 T HN 0.510 nan 8.240 nan 0.000 0.455 393 S N 2.558 118.314 115.700 0.094 0.000 2.423 393 S HA -0.177 4.296 4.470 0.005 0.000 0.238 393 S C 2.320 176.972 174.600 0.087 0.000 1.028 393 S CA 1.535 59.777 58.200 0.070 0.000 1.000 393 S CB -0.789 62.447 63.200 0.060 0.000 0.797 393 S HN 0.893 nan 8.310 nan 0.000 0.487 394 S N 1.615 117.405 115.700 0.150 0.000 2.547 394 S HA 0.079 4.552 4.470 0.005 0.000 0.235 394 S C 0.856 175.544 174.600 0.148 0.000 0.980 394 S CA 0.217 58.517 58.200 0.166 0.000 0.941 394 S CB -0.911 62.433 63.200 0.239 0.000 0.763 394 S HN 0.503 nan 8.310 nan 0.000 0.532 395 L N 0.919 122.190 121.223 0.079 0.000 3.742 395 L HA -0.191 4.152 4.340 0.005 0.000 0.431 395 L C 1.664 178.542 176.870 0.013 0.000 1.220 395 L CA 0.677 55.504 54.840 -0.022 0.000 0.863 395 L CB -2.357 39.696 42.059 -0.009 0.000 1.751 395 L HN 0.727 nan 8.230 nan 0.000 0.922 396 W N -0.139 121.171 121.300 0.018 0.000 2.379 396 W HA -0.144 4.519 4.660 0.005 0.000 0.307 396 W C 1.861 178.396 176.519 0.027 0.000 1.200 396 W CA 1.132 58.490 57.345 0.022 0.000 1.297 396 W CB -0.709 28.761 29.460 0.017 0.000 1.140 396 W HN 0.194 nan 8.180 nan 0.000 0.507 397 K N 1.132 121.082 120.400 -0.751 0.000 2.044 397 K HA -0.212 4.111 4.320 0.005 0.000 0.210 397 K C 1.550 178.006 176.600 -0.240 0.000 1.049 397 K CA 2.760 58.650 56.287 -0.660 0.000 0.927 397 K CB -0.354 31.586 32.500 -0.933 0.000 0.713 397 K HN 0.061 nan 8.250 nan 0.000 0.443 398 D N 0.020 120.298 120.400 -0.203 0.000 2.106 398 D HA -0.151 4.492 4.640 0.005 0.000 0.194 398 D C 1.606 177.896 176.300 -0.017 0.000 0.988 398 D CA 1.379 55.322 54.000 -0.095 0.000 0.845 398 D CB -0.054 40.699 40.800 -0.079 0.000 0.990 398 D HN 0.060 nan 8.370 nan 0.000 0.448 399 K N 0.420 120.834 120.400 0.024 0.000 2.081 399 K HA -0.326 3.997 4.320 0.005 0.000 0.222 399 K C 2.194 178.850 176.600 0.093 0.000 1.055 399 K CA 1.752 58.081 56.287 0.070 0.000 0.954 399 K CB -0.478 32.085 32.500 0.106 0.000 0.732 399 K HN 0.160 nan 8.250 nan 0.000 0.458 400 A N 1.127 124.024 122.820 0.128 0.000 1.883 400 A HA -0.172 4.151 4.320 0.005 0.000 0.217 400 A C 2.399 180.055 177.584 0.121 0.000 1.186 400 A CA 2.195 54.331 52.037 0.165 0.000 0.624 400 A CB -0.902 18.232 19.000 0.223 0.000 0.822 400 A HN 0.441 nan 8.150 nan 0.000 0.444 401 A N -0.611 122.246 122.820 0.061 0.000 1.986 401 A HA -0.054 4.269 4.320 0.005 0.000 0.220 401 A C 2.194 179.792 177.584 0.023 0.000 1.171 401 A CA 2.033 54.085 52.037 0.024 0.000 0.640 401 A CB -0.905 18.075 19.000 -0.033 0.000 0.811 401 A HN 0.501 nan 8.150 nan 0.000 0.451 402 V N -0.016 119.920 119.914 0.037 0.000 2.379 402 V HA -0.153 3.969 4.120 0.005 0.000 0.245 402 V C 2.429 178.559 176.094 0.061 0.000 1.044 402 V CA 1.845 64.173 62.300 0.046 0.000 1.036 402 V CB -0.707 31.148 31.823 0.054 0.000 0.664 402 V HN 0.497 nan 8.190 nan 0.000 0.453 403 E N 0.309 120.558 120.200 0.081 0.000 2.072 403 E HA -0.082 4.270 4.350 0.005 0.000 0.190 403 E C 2.200 178.818 176.600 0.031 0.000 0.982 403 E CA 1.095 57.555 56.400 0.099 0.000 0.803 403 E CB -0.297 29.421 29.700 0.030 0.000 0.755 403 E HN 0.553 nan 8.360 nan 0.000 0.453 404 I N 1.819 122.432 120.570 0.073 0.000 2.127 404 I HA -0.307 3.866 4.170 0.005 0.000 0.241 404 I C 2.305 178.408 176.117 -0.024 0.000 1.075 404 I CA 1.014 62.359 61.300 0.076 0.000 1.334 404 I CB -0.436 37.667 38.000 0.173 0.000 1.040 404 I HN 0.105 nan 8.210 nan 0.000 0.405 405 N N 0.712 119.399 118.700 -0.022 0.000 2.060 405 N HA -0.240 4.503 4.740 0.005 0.000 0.195 405 N C 1.899 177.384 175.510 -0.042 0.000 1.028 405 N CA 1.628 54.653 53.050 -0.042 0.000 0.861 405 N CB -0.305 38.174 38.487 -0.015 0.000 1.029 405 N HN 0.182 nan 8.380 nan 0.000 0.428 406 L N 1.471 122.670 121.223 -0.039 0.000 2.046 406 L HA -0.057 4.286 4.340 0.005 0.000 0.208 406 L C 2.313 179.087 176.870 -0.161 0.000 1.077 406 L CA 1.610 56.399 54.840 -0.085 0.000 0.747 406 L CB -1.048 40.953 42.059 -0.096 0.000 0.896 406 L HN 0.098 nan 8.230 nan 0.000 0.432 407 A N -1.014 121.659 122.820 -0.245 0.000 1.892 407 A HA -0.199 4.123 4.320 0.005 0.000 0.218 407 A C 2.290 179.811 177.584 -0.105 0.000 1.188 407 A CA 2.251 54.080 52.037 -0.347 0.000 0.631 407 A CB -1.215 17.226 19.000 -0.932 0.000 0.822 407 A HN 0.319 nan 8.150 nan 0.000 0.447 408 V N -0.114 119.764 119.914 -0.061 0.000 2.282 408 V HA -0.305 3.817 4.120 0.005 0.000 0.249 408 V C 2.582 178.719 176.094 0.072 0.000 1.057 408 V CA 2.176 64.489 62.300 0.022 0.000 1.032 408 V CB -0.842 30.919 31.823 -0.103 0.000 0.645 408 V HN 0.569 nan 8.190 nan 0.000 0.447 409 L N -0.749 120.475 121.223 0.002 0.000 1.976 409 L HA -0.216 4.127 4.340 0.005 0.000 0.209 409 L C 2.644 179.556 176.870 0.071 0.000 1.071 409 L CA 2.279 57.132 54.840 0.022 0.000 0.746 409 L CB -0.890 41.170 42.059 0.001 0.000 0.890 409 L HN 0.453 nan 8.230 nan 0.000 0.432 410 H N -0.365 118.668 119.070 -0.061 0.000 2.321 410 H HA -0.200 4.359 4.556 0.005 0.000 0.295 410 H C 2.313 177.628 175.328 -0.022 0.000 1.102 410 H CA 2.201 58.202 56.048 -0.079 0.000 1.266 410 H CB -0.119 29.535 29.762 -0.180 0.000 1.363 410 H HN 0.175 nan 8.280 nan 0.000 0.492 411 S N -0.635 115.017 115.700 -0.079 0.000 2.383 411 S HA -0.091 4.381 4.470 0.005 0.000 0.227 411 S C 1.888 176.436 174.600 -0.087 0.000 1.026 411 S CA 1.095 59.221 58.200 -0.124 0.000 0.981 411 S CB -0.394 62.814 63.200 0.013 0.000 0.818 411 S HN 0.334 nan 8.310 nan 0.000 0.472 412 F N 2.186 122.073 119.950 -0.104 0.000 2.113 412 F HA -0.109 4.420 4.527 0.004 0.000 0.297 412 F C 2.632 178.375 175.800 -0.096 0.000 1.103 412 F CA 1.176 59.136 58.000 -0.066 0.000 1.248 412 F CB -0.692 38.294 39.000 -0.023 0.000 0.999 412 F HN 0.213 nan 8.300 nan 0.000 0.475 413 Q N -0.359 119.479 119.800 0.062 0.000 2.061 413 Q HA -0.250 4.092 4.340 0.005 0.000 0.204 413 Q C 2.214 178.151 176.000 -0.105 0.000 0.984 413 Q CA 1.861 57.647 55.803 -0.029 0.000 0.846 413 Q CB -0.758 27.957 28.738 -0.038 0.000 0.902 413 Q HN 0.373 nan 8.270 nan 0.000 0.421 414 L N 0.844 121.937 121.223 -0.216 0.000 2.012 414 L HA -0.098 4.245 4.340 0.005 0.000 0.210 414 L C 1.989 178.766 176.870 -0.155 0.000 1.073 414 L CA 2.165 56.864 54.840 -0.235 0.000 0.748 414 L CB -0.727 41.088 42.059 -0.407 0.000 0.891 414 L HN 0.142 nan 8.230 nan 0.000 0.431 415 A N -0.730 121.993 122.820 -0.163 0.000 2.255 415 A HA -0.013 4.310 4.320 0.005 0.000 0.206 415 A C 0.665 178.184 177.584 -0.108 0.000 1.193 415 A CA 0.223 52.175 52.037 -0.142 0.000 0.794 415 A CB -0.717 18.165 19.000 -0.196 0.000 0.794 415 A HN 0.515 nan 8.150 nan 0.000 0.481 416 K N -1.002 119.347 120.400 -0.084 0.000 3.278 416 K HA -0.145 4.178 4.320 0.005 0.000 0.270 416 K C -0.691 175.884 176.600 -0.040 0.000 0.955 416 K CA 0.792 57.045 56.287 -0.056 0.000 0.723 416 K CB -2.544 29.923 32.500 -0.055 0.000 1.382 416 K HN 0.271 nan 8.250 nan 0.000 0.461 417 V N 0.900 120.809 119.914 -0.010 0.000 2.555 417 V HA 0.181 4.304 4.120 0.005 0.000 0.302 417 V C 0.773 176.966 176.094 0.165 0.000 1.038 417 V CA -0.749 61.586 62.300 0.059 0.000 0.887 417 V CB 2.129 33.948 31.823 -0.008 0.000 0.991 417 V HN 0.328 nan 8.190 nan 0.000 0.434 418 T N 6.005 120.606 114.554 0.078 0.000 2.902 418 T HA 0.453 4.805 4.350 0.005 0.000 0.301 418 T C -0.245 174.484 174.700 0.048 0.000 1.012 418 T CA 0.846 62.892 62.100 -0.090 0.000 1.151 418 T CB 0.085 68.713 68.868 -0.399 0.000 0.946 418 T HN 0.533 nan 8.240 nan 0.000 0.542 419 I N 2.055 122.582 120.570 -0.072 0.000 3.149 419 I HA 0.650 4.823 4.170 0.005 0.000 0.310 419 I C -1.688 174.414 176.117 -0.026 0.000 1.343 419 I CA -1.000 60.277 61.300 -0.038 0.000 0.955 419 I CB 2.154 40.037 38.000 -0.195 0.000 1.309 419 I HN 0.419 nan 8.210 nan 0.000 0.478 420 V N 5.254 125.211 119.914 0.071 0.000 2.655 420 V HA 0.374 4.496 4.120 0.005 0.000 0.301 420 V C -1.140 174.998 176.094 0.074 0.000 1.082 420 V CA -0.519 61.839 62.300 0.098 0.000 0.899 420 V CB 1.901 33.865 31.823 0.234 0.000 1.014 420 V HN 0.812 nan 8.190 nan 0.000 0.429 421 D N 5.682 126.105 120.400 0.038 0.000 2.361 421 D HA 0.023 4.666 4.640 0.005 0.000 0.239 421 D C 1.080 177.384 176.300 0.006 0.000 1.200 421 D CA 0.085 54.097 54.000 0.019 0.000 0.915 421 D CB 0.583 41.359 40.800 -0.039 0.000 1.170 421 D HN 0.819 nan 8.370 nan 0.000 0.444 422 H N -0.171 118.846 119.070 -0.089 0.000 2.489 422 H HA -0.119 4.440 4.556 0.005 0.000 0.293 422 H C 1.179 176.399 175.328 -0.179 0.000 1.066 422 H CA 1.071 57.020 56.048 -0.166 0.000 1.305 422 H CB -0.494 29.108 29.762 -0.265 0.000 1.386 422 H HN 0.514 nan 8.280 nan 0.000 0.551 423 H N 0.965 119.885 119.070 -0.250 0.000 2.329 423 H HA 0.199 4.758 4.556 0.004 0.000 0.306 423 H C 2.516 177.829 175.328 -0.024 0.000 1.062 423 H CA 1.137 57.107 56.048 -0.131 0.000 1.364 423 H CB -0.176 29.471 29.762 -0.193 0.000 1.409 423 H HN 0.476 nan 8.280 nan 0.000 0.519 424 A N 1.537 124.420 122.820 0.106 0.000 1.902 424 A HA -0.112 4.211 4.320 0.005 0.000 0.217 424 A C 2.669 180.325 177.584 0.120 0.000 1.181 424 A CA 1.815 53.910 52.037 0.098 0.000 0.623 424 A CB -0.835 18.212 19.000 0.078 0.000 0.818 424 A HN 0.428 nan 8.150 nan 0.000 0.443 425 A N -0.311 122.578 122.820 0.116 0.000 1.902 425 A HA -0.106 4.217 4.320 0.005 0.000 0.217 425 A C 2.435 180.112 177.584 0.156 0.000 1.181 425 A CA 2.580 54.702 52.037 0.142 0.000 0.623 425 A CB -1.333 17.738 19.000 0.119 0.000 0.818 425 A HN 0.721 nan 8.150 nan 0.000 0.443 426 T N -2.681 111.949 114.554 0.127 0.000 2.812 426 T HA -0.054 4.299 4.350 0.005 0.000 0.264 426 T C 1.689 176.516 174.700 0.212 0.000 1.042 426 T CA 1.232 63.427 62.100 0.158 0.000 1.140 426 T CB -0.769 68.161 68.868 0.103 0.000 0.870 426 T HN 0.052 nan 8.240 nan 0.000 0.445 427 V N 3.015 123.029 119.914 0.167 0.000 2.392 427 V HA -0.184 3.939 4.120 0.005 0.000 0.249 427 V C 3.116 179.303 176.094 0.155 0.000 1.059 427 V CA 2.103 64.493 62.300 0.150 0.000 1.051 427 V CB -0.992 30.901 31.823 0.117 0.000 0.658 427 V HN 0.785 nan 8.190 nan 0.000 0.455 428 S N -0.746 115.058 115.700 0.173 0.000 2.436 428 S HA -0.102 4.371 4.470 0.005 0.000 0.228 428 S C 1.834 176.566 174.600 0.220 0.000 1.014 428 S CA 0.858 59.161 58.200 0.173 0.000 0.950 428 S CB -0.604 62.697 63.200 0.168 0.000 0.784 428 S HN 0.498 nan 8.310 nan 0.000 0.504 429 F N 2.209 122.224 119.950 0.108 0.000 2.293 429 F HA 0.112 4.642 4.527 0.004 0.000 0.300 429 F C 2.131 178.022 175.800 0.152 0.000 1.086 429 F CA 0.839 58.918 58.000 0.130 0.000 1.375 429 F CB -0.305 38.748 39.000 0.088 0.000 1.045 429 F HN 0.068 nan 8.300 nan 0.000 0.516 430 M N 0.177 119.871 119.600 0.156 0.000 2.086 430 M HA -0.189 4.294 4.480 0.005 0.000 0.261 430 M C 2.255 178.545 176.300 -0.017 0.000 1.067 430 M CA 1.579 56.915 55.300 0.060 0.000 1.116 430 M CB -1.300 31.370 32.600 0.117 0.000 1.348 430 M HN 0.062 nan 8.290 nan 0.000 0.407 431 K N -0.797 119.618 120.400 0.026 0.000 2.147 431 K HA -0.220 4.103 4.320 0.005 0.000 0.205 431 K C 2.015 178.601 176.600 -0.023 0.000 1.049 431 K CA 1.571 57.865 56.287 0.012 0.000 0.936 431 K CB -0.278 32.251 32.500 0.049 0.000 0.722 431 K HN 0.363 nan 8.250 nan 0.000 0.446 432 H N 0.083 119.066 119.070 -0.146 0.000 2.321 432 H HA -0.035 4.524 4.556 0.004 0.000 0.300 432 H C 1.656 176.828 175.328 -0.259 0.000 1.087 432 H CA 2.154 58.082 56.048 -0.199 0.000 1.319 432 H CB -0.184 29.416 29.762 -0.270 0.000 1.379 432 H HN 0.147 nan 8.280 nan 0.000 0.501 433 L N -0.149 120.785 121.223 -0.482 0.000 2.079 433 L HA -0.171 4.171 4.340 0.005 0.000 0.210 433 L C 2.293 179.016 176.870 -0.245 0.000 1.081 433 L CA 1.847 56.441 54.840 -0.411 0.000 0.752 433 L CB -0.476 41.398 42.059 -0.310 0.000 0.896 433 L HN 0.431 nan 8.230 nan 0.000 0.433 434 D N -0.133 120.166 120.400 -0.167 0.000 2.117 434 D HA -0.193 4.449 4.640 0.005 0.000 0.197 434 D C 1.917 178.150 176.300 -0.112 0.000 0.987 434 D CA 1.202 55.141 54.000 -0.103 0.000 0.829 434 D CB 0.121 40.887 40.800 -0.057 0.000 0.961 434 D HN 0.152 nan 8.370 nan 0.000 0.460 435 N N 0.452 119.069 118.700 -0.138 0.000 2.120 435 N HA -0.129 4.614 4.740 0.005 0.000 0.188 435 N C 1.584 177.013 175.510 -0.135 0.000 1.024 435 N CA 0.894 53.877 53.050 -0.111 0.000 0.852 435 N CB -0.246 38.190 38.487 -0.085 0.000 1.003 435 N HN 0.361 nan 8.380 nan 0.000 0.424 436 E N 0.529 120.578 120.200 -0.252 0.000 2.152 436 E HA -0.142 4.211 4.350 0.005 0.000 0.192 436 E C 1.832 178.350 176.600 -0.136 0.000 0.983 436 E CA 0.449 56.713 56.400 -0.226 0.000 0.818 436 E CB -0.087 29.387 29.700 -0.376 0.000 0.758 436 E HN 0.309 nan 8.360 nan 0.000 0.467 437 Q N 1.812 121.538 119.800 -0.124 0.000 1.985 437 Q HA -0.199 4.143 4.340 0.005 0.000 0.207 437 Q C 1.918 177.883 176.000 -0.058 0.000 0.996 437 Q CA 2.011 57.770 55.803 -0.074 0.000 0.851 437 Q CB -0.188 28.516 28.738 -0.057 0.000 0.921 437 Q HN 0.052 nan 8.270 nan 0.000 0.418 438 K N -0.643 119.726 120.400 -0.053 0.000 2.077 438 K HA -0.239 4.083 4.320 0.005 0.000 0.213 438 K C 1.914 178.492 176.600 -0.036 0.000 1.051 438 K CA 1.934 58.198 56.287 -0.038 0.000 0.929 438 K CB -0.461 32.020 32.500 -0.032 0.000 0.715 438 K HN 0.353 nan 8.250 nan 0.000 0.451 439 A N -0.007 122.790 122.820 -0.038 0.000 1.903 439 A HA 0.021 4.343 4.320 0.005 0.000 0.213 439 A C 1.834 179.399 177.584 -0.032 0.000 1.185 439 A CA 1.047 53.071 52.037 -0.022 0.000 0.628 439 A CB 0.072 19.075 19.000 0.006 0.000 0.830 439 A HN 0.147 nan 8.150 nan 0.000 0.446 440 R N -2.497 117.972 120.500 -0.052 0.000 2.469 440 R HA 0.253 4.596 4.340 0.005 0.000 0.250 440 R C 0.764 177.024 176.300 -0.067 0.000 0.909 440 R CA 0.585 56.652 56.100 -0.054 0.000 1.050 440 R CB 0.791 31.055 30.300 -0.059 0.000 1.256 440 R HN 0.683 nan 8.270 nan 0.000 0.550 441 G N 0.746 109.505 108.800 -0.068 0.000 2.142 441 G HA2 -0.152 3.811 3.960 0.005 0.000 0.225 441 G HA3 -0.152 3.811 3.960 0.005 0.000 0.225 441 G C 0.104 174.972 174.900 -0.054 0.000 1.015 441 G CA -0.035 45.019 45.100 -0.077 0.000 0.716 441 G HN 0.692 nan 8.290 nan 0.000 0.508 442 G N -2.380 106.402 108.800 -0.029 0.000 2.321 442 G HA2 0.566 4.529 3.960 0.005 0.000 0.298 442 G HA3 0.566 4.529 3.960 0.005 0.000 0.298 442 G C -0.910 174.005 174.900 0.025 0.000 1.385 442 G CA 0.327 45.447 45.100 0.034 0.000 0.856 442 G HN 1.907 nan 8.290 nan 0.000 0.584 443 C N 2.032 121.377 119.300 0.076 0.000 2.817 443 C HA 0.692 5.155 4.460 0.005 0.000 0.385 443 C C -2.605 172.376 174.990 -0.015 0.000 1.050 443 C CA -1.119 57.900 59.018 0.002 0.000 1.245 443 C CB 1.389 29.075 27.740 -0.090 0.000 1.706 443 C HN 0.690 nan 8.230 nan 0.000 0.488 444 P HA 0.411 nan 4.420 nan 0.000 0.271 444 P C -0.683 176.514 177.300 -0.172 0.000 1.233 444 P CA 0.521 63.260 63.100 -0.603 0.000 0.764 444 P CB 1.089 32.137 31.700 -1.087 0.000 0.825 445 A N 2.876 125.672 122.820 -0.040 0.000 2.422 445 A HA 0.422 4.744 4.320 0.005 0.000 0.302 445 A C -0.857 176.789 177.584 0.104 0.000 1.041 445 A CA -0.561 51.542 52.037 0.110 0.000 0.708 445 A CB 1.221 20.392 19.000 0.285 0.000 1.257 445 A HN 0.430 nan 8.150 nan 0.000 0.414 446 D N 2.096 122.549 120.400 0.089 0.000 2.456 446 D HA 0.128 4.771 4.640 0.005 0.000 0.219 446 D C 0.773 177.226 176.300 0.255 0.000 1.126 446 D CA -0.450 53.636 54.000 0.144 0.000 0.890 446 D CB 0.350 41.164 40.800 0.023 0.000 1.025 446 D HN 0.616 nan 8.370 nan 0.000 0.511 447 W N 4.297 125.654 121.300 0.095 0.000 2.317 447 W HA -0.275 4.388 4.660 0.005 0.000 0.318 447 W C 2.027 178.592 176.519 0.075 0.000 1.227 447 W CA 2.366 59.751 57.345 0.066 0.000 1.269 447 W CB -0.079 29.394 29.460 0.022 0.000 1.155 447 W HN 0.543 nan 8.180 nan 0.000 0.484 448 A N -1.019 122.126 122.820 0.542 0.000 2.032 448 A HA -0.232 4.091 4.320 0.005 0.000 0.221 448 A C 1.518 179.152 177.584 0.083 0.000 1.165 448 A CA 1.798 54.045 52.037 0.351 0.000 0.645 448 A CB -1.305 17.910 19.000 0.359 0.000 0.807 448 A HN 0.581 nan 8.150 nan 0.000 0.453 449 W N -0.860 120.427 121.300 -0.022 0.000 2.588 449 W HA 0.144 4.806 4.660 0.004 0.000 0.277 449 W C 1.994 178.404 176.519 -0.181 0.000 1.221 449 W CA 0.109 57.411 57.345 -0.072 0.000 1.355 449 W CB -0.144 29.299 29.460 -0.028 0.000 1.083 449 W HN 0.129 nan 8.180 nan 0.000 0.581 450 I N -0.032 120.503 120.570 -0.059 0.000 2.202 450 I HA -0.115 4.057 4.170 0.005 0.000 0.242 450 I C 0.794 176.696 176.117 -0.357 0.000 1.091 450 I CA 0.860 61.977 61.300 -0.306 0.000 1.368 450 I CB -1.612 36.127 38.000 -0.435 0.000 1.058 450 I HN -0.410 nan 8.210 nan 0.000 0.410 451 V N 3.787 123.401 119.914 -0.501 0.000 2.599 451 V HA 0.017 4.140 4.120 0.005 0.000 0.300 451 V C -1.875 174.038 176.094 -0.302 0.000 1.034 451 V CA -0.745 61.262 62.300 -0.488 0.000 1.115 451 V CB 0.167 31.482 31.823 -0.846 0.000 0.934 451 V HN 0.151 nan 8.190 nan 0.000 0.485 452 P HA 0.234 nan 4.420 nan 0.000 0.274 452 P C -1.985 175.184 177.300 -0.219 0.000 1.237 452 P CA -1.416 61.554 63.100 -0.217 0.000 0.793 452 P CB 0.155 31.726 31.700 -0.215 0.000 0.977 453 P HA 0.041 nan 4.420 nan 0.000 0.241 453 P C 0.134 177.315 177.300 -0.197 0.000 1.191 453 P CA 0.916 63.895 63.100 -0.201 0.000 0.771 453 P CB 0.064 31.642 31.700 -0.203 0.000 0.929 454 I N -6.716 113.695 120.570 -0.266 0.000 3.239 454 I HA 0.471 4.643 4.170 0.005 0.000 0.314 454 I C 0.242 176.234 176.117 -0.208 0.000 1.126 454 I CA -1.373 59.791 61.300 -0.227 0.000 0.973 454 I CB 1.421 39.275 38.000 -0.243 0.000 1.252 454 I HN -0.442 nan 8.210 nan 0.000 0.463 455 S N 1.096 116.729 115.700 -0.111 0.000 3.419 455 S HA -0.220 4.253 4.470 0.005 0.000 0.350 455 S C 1.387 175.953 174.600 -0.057 0.000 1.128 455 S CA 0.836 59.014 58.200 -0.037 0.000 0.999 455 S CB -1.884 61.364 63.200 0.079 0.000 0.923 455 S HN 1.269 nan 8.310 nan 0.000 0.522 456 G N 2.369 111.116 108.800 -0.087 0.000 2.766 456 G HA2 -0.387 3.576 3.960 0.005 0.000 0.222 456 G HA3 -0.387 3.576 3.960 0.005 0.000 0.222 456 G C 1.449 176.252 174.900 -0.162 0.000 1.225 456 G CA 1.830 46.895 45.100 -0.057 0.000 0.784 456 G HN 1.361 nan 8.290 nan 0.000 0.631 457 S N -0.230 115.136 115.700 -0.556 0.000 2.603 457 S HA 0.151 4.624 4.470 0.005 0.000 0.229 457 S C 1.942 176.421 174.600 -0.202 0.000 0.972 457 S CA 0.723 58.321 58.200 -1.003 0.000 0.935 457 S CB 0.010 62.381 63.200 -1.383 0.000 0.769 457 S HN 0.071 nan 8.310 nan 0.000 0.536 458 L N 2.404 123.596 121.223 -0.052 0.000 2.492 458 L HA 0.253 4.596 4.340 0.005 0.000 0.223 458 L C 1.352 178.336 176.870 0.189 0.000 1.132 458 L CA 0.676 55.577 54.840 0.101 0.000 0.850 458 L CB -1.020 41.127 42.059 0.147 0.000 0.966 458 L HN 0.572 nan 8.230 nan 0.000 0.454 459 T N -3.837 110.811 114.554 0.158 0.000 2.928 459 T HA 0.356 4.709 4.350 0.005 0.000 0.284 459 T C -1.738 173.120 174.700 0.262 0.000 1.008 459 T CA -1.793 60.417 62.100 0.183 0.000 1.057 459 T CB 1.758 70.678 68.868 0.086 0.000 1.018 459 T HN -0.125 nan 8.240 nan 0.000 0.493 460 P HA -0.005 nan 4.420 nan 0.000 0.225 460 P C 1.802 179.330 177.300 0.381 0.000 1.156 460 P CA 0.554 63.854 63.100 0.334 0.000 0.787 460 P CB -0.359 31.477 31.700 0.227 0.000 0.802 461 V N -3.365 116.706 119.914 0.263 0.000 2.594 461 V HA -0.194 3.929 4.120 0.005 0.000 0.253 461 V C 2.269 178.469 176.094 0.177 0.000 1.069 461 V CA 1.246 63.669 62.300 0.205 0.000 1.082 461 V CB -2.242 29.631 31.823 0.084 0.000 0.680 461 V HN -0.099 nan 8.190 nan 0.000 0.469 462 F N 2.182 122.125 119.950 -0.011 0.000 2.250 462 F HA -0.123 4.407 4.527 0.004 0.000 0.301 462 F C 2.172 178.091 175.800 0.198 0.000 1.077 462 F CA 1.828 59.817 58.000 -0.019 0.000 1.348 462 F CB -0.418 38.475 39.000 -0.178 0.000 1.040 462 F HN 0.351 nan 8.300 nan 0.000 0.509 463 H N -0.779 118.642 119.070 0.585 0.000 2.517 463 H HA 0.166 4.725 4.556 0.005 0.000 0.282 463 H C 0.086 175.676 175.328 0.436 0.000 1.023 463 H CA -0.038 56.308 56.048 0.497 0.000 1.169 463 H CB -0.029 30.011 29.762 0.464 0.000 1.454 463 H HN 0.253 nan 8.280 nan 0.000 0.556 464 Q N 1.943 122.051 119.800 0.514 0.000 2.325 464 Q HA 0.170 4.513 4.340 0.005 0.000 0.262 464 Q C -0.577 175.695 176.000 0.453 0.000 0.968 464 Q CA -0.491 55.565 55.803 0.422 0.000 0.877 464 Q CB 1.031 29.970 28.738 0.336 0.000 1.253 464 Q HN 0.239 nan 8.270 nan 0.000 0.448 465 E N 3.358 123.757 120.200 0.331 0.000 2.392 465 E HA 0.198 4.551 4.350 0.005 0.000 0.264 465 E C -0.615 176.129 176.600 0.241 0.000 1.024 465 E CA 0.402 56.938 56.400 0.227 0.000 0.903 465 E CB 0.761 30.581 29.700 0.201 0.000 0.963 465 E HN 0.580 nan 8.360 nan 0.000 0.432 466 M N 2.277 122.014 119.600 0.228 0.000 2.271 466 M HA 0.232 4.714 4.480 0.005 0.000 0.285 466 M C -1.207 175.204 176.300 0.185 0.000 1.059 466 M CA -0.822 54.624 55.300 0.245 0.000 0.940 466 M CB 2.215 35.030 32.600 0.358 0.000 1.636 466 M HN 0.170 nan 8.290 nan 0.000 0.460 467 V N 2.783 122.808 119.914 0.186 0.000 2.488 467 V HA 0.242 4.365 4.120 0.005 0.000 0.277 467 V C -0.067 176.115 176.094 0.147 0.000 1.046 467 V CA -0.401 62.032 62.300 0.221 0.000 0.986 467 V CB 1.012 33.035 31.823 0.333 0.000 0.989 467 V HN 0.879 nan 8.190 nan 0.000 0.475 468 N N 3.814 122.589 118.700 0.125 0.000 2.446 468 N HA 0.598 5.341 4.740 0.005 0.000 0.265 468 N C -1.295 174.249 175.510 0.058 0.000 0.975 468 N CA -0.576 52.457 53.050 -0.028 0.000 0.928 468 N CB 1.135 39.632 38.487 0.016 0.000 1.160 468 N HN 0.701 nan 8.380 nan 0.000 0.495 469 Y N 1.426 121.748 120.300 0.036 0.000 2.677 469 Y HA 0.593 5.146 4.550 0.005 0.000 0.334 469 Y C -0.955 174.950 175.900 0.009 0.000 1.154 469 Y CA -1.273 56.842 58.100 0.024 0.000 1.070 469 Y CB 0.832 39.309 38.460 0.028 0.000 1.294 469 Y HN 0.132 nan 8.280 nan 0.000 0.475 470 I N 3.255 123.932 120.570 0.180 0.000 2.307 470 I HA 0.339 4.511 4.170 0.005 0.000 0.289 470 I C -0.748 175.441 176.117 0.121 0.000 1.021 470 I CA -0.299 61.048 61.300 0.077 0.000 1.224 470 I CB 0.720 38.750 38.000 0.051 0.000 1.376 470 I HN 0.388 nan 8.210 nan 0.000 0.470 471 L N 4.725 125.990 121.223 0.070 0.000 2.344 471 L HA 0.548 4.891 4.340 0.005 0.000 0.272 471 L C 0.182 177.051 176.870 -0.002 0.000 1.035 471 L CA -0.485 54.394 54.840 0.065 0.000 0.807 471 L CB 1.893 43.991 42.059 0.066 0.000 1.237 471 L HN 0.482 nan 8.230 nan 0.000 0.442 472 S N 0.950 116.656 115.700 0.009 0.000 2.532 472 S HA 0.573 5.046 4.470 0.005 0.000 0.301 472 S C -2.486 172.116 174.600 0.002 0.000 1.083 472 S CA -1.405 56.786 58.200 -0.016 0.000 1.025 472 S CB 1.801 65.011 63.200 0.018 0.000 1.056 472 S HN 0.250 nan 8.310 nan 0.000 0.494 473 P HA 0.215 nan 4.420 nan 0.000 0.266 473 P C -1.315 175.842 177.300 -0.239 0.000 1.186 473 P CA 0.182 63.174 63.100 -0.181 0.000 0.767 473 P CB 0.352 31.895 31.700 -0.263 0.000 0.820 474 A N 1.980 124.626 122.820 -0.290 0.000 2.566 474 A HA 0.740 5.063 4.320 0.005 0.000 0.292 474 A C -1.360 175.962 177.584 -0.437 0.000 1.112 474 A CA -0.494 51.368 52.037 -0.291 0.000 0.707 474 A CB 0.886 19.808 19.000 -0.131 0.000 1.302 474 A HN 0.288 nan 8.150 nan 0.000 0.409 475 F N 0.678 120.553 119.950 -0.125 0.000 2.399 475 F HA 0.679 5.208 4.527 0.004 0.000 0.334 475 F C 1.027 176.732 175.800 -0.159 0.000 1.097 475 F CA 0.020 57.946 58.000 -0.124 0.000 1.076 475 F CB 1.510 40.410 39.000 -0.166 0.000 1.162 475 F HN 0.476 nan 8.300 nan 0.000 0.495 476 R N 1.237 121.780 120.500 0.071 0.000 2.744 476 R HA 0.391 4.734 4.340 0.005 0.000 0.279 476 R C -1.412 174.851 176.300 -0.061 0.000 0.977 476 R CA -1.143 54.937 56.100 -0.033 0.000 0.906 476 R CB 2.047 32.360 30.300 0.022 0.000 1.197 476 R HN 0.481 nan 8.270 nan 0.000 0.463 477 Y N 1.608 121.936 120.300 0.046 0.000 2.379 477 Y HA 0.068 4.621 4.550 0.005 0.000 0.337 477 Y C 0.778 176.681 175.900 0.004 0.000 1.238 477 Y CA 0.312 58.425 58.100 0.023 0.000 1.405 477 Y CB 0.699 39.161 38.460 0.003 0.000 1.310 477 Y HN 0.398 nan 8.280 nan 0.000 0.569 478 Q N 1.575 121.471 119.800 0.160 0.000 2.418 478 Q HA 0.586 4.929 4.340 0.005 0.000 0.282 478 Q C -3.091 172.884 176.000 -0.041 0.000 1.044 478 Q CA -2.398 53.431 55.803 0.044 0.000 0.813 478 Q CB 1.755 30.507 28.738 0.025 0.000 1.428 478 Q HN 0.313 nan 8.270 nan 0.000 0.402 479 P HA 0.043 nan 4.420 nan 0.000 0.265 479 P C -0.992 176.101 177.300 -0.346 0.000 1.187 479 P CA 0.178 63.157 63.100 -0.201 0.000 0.766 479 P CB 0.337 31.926 31.700 -0.185 0.000 0.820 480 D N 3.905 123.974 120.400 -0.553 0.000 2.458 480 D HA -0.005 4.638 4.640 0.005 0.000 0.243 480 D C -1.041 174.552 176.300 -1.178 0.000 1.146 480 D CA -1.007 52.356 54.000 -1.060 0.000 0.877 480 D CB 0.326 40.132 40.800 -1.657 0.000 1.176 480 D HN 0.277 nan 8.370 nan 0.000 0.461 481 P HA -0.083 nan 4.420 nan 0.000 0.219 481 P C 0.562 177.496 177.300 -0.611 0.000 1.150 481 P CA 0.688 63.367 63.100 -0.702 0.000 0.814 481 P CB 0.040 31.369 31.700 -0.619 0.000 0.787 482 W N 0.000 120.859 121.300 -0.734 0.000 2.388 482 W HA 0.000 4.662 4.660 0.004 0.000 0.303 482 W CA 0.000 57.095 57.345 -0.416 0.000 1.226 482 W CB 0.000 29.193 29.460 -0.445 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535