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 1d0c_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL 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 3.965 3.960 0.008 0.000 0.244 67 G C 0.000 174.838 174.900 -0.104 0.000 0.946 67 G CA 0.000 45.071 45.100 -0.049 0.000 0.502 68 P HA 0.267 nan 4.420 nan 0.000 0.267 68 P C -0.259 177.008 177.300 -0.056 0.000 1.205 68 P CA -0.001 62.982 63.100 -0.195 0.000 0.765 68 P CB 1.040 32.408 31.700 -0.553 0.000 0.828 69 K N 3.572 123.880 120.400 -0.154 0.000 3.322 69 K HA 0.113 4.438 4.320 0.008 0.000 0.291 69 K C -0.998 175.186 176.600 -0.693 0.000 1.131 69 K CA 0.058 56.126 56.287 -0.365 0.000 1.185 69 K CB -0.739 31.507 32.500 -0.424 0.000 1.338 69 K HN 0.350 nan 8.250 nan 0.000 0.380 70 F N -0.375 119.597 119.950 0.037 0.000 2.613 70 F HA 0.371 4.903 4.527 0.009 0.000 0.314 70 F C -2.178 173.718 175.800 0.160 0.000 1.075 70 F CA -2.871 55.176 58.000 0.078 0.000 0.945 70 F CB 1.048 40.095 39.000 0.077 0.000 1.310 70 F HN 0.056 nan 8.300 nan 0.000 0.467 71 P HA 0.092 nan 4.420 nan 0.000 0.264 71 P C -0.794 176.602 177.300 0.160 0.000 1.193 71 P CA -0.083 63.124 63.100 0.179 0.000 0.763 71 P CB 0.471 32.242 31.700 0.119 0.000 0.810 72 R N 2.843 123.364 120.500 0.034 0.000 2.265 72 R HA 0.411 4.756 4.340 0.008 0.000 0.314 72 R C -1.084 175.095 176.300 -0.202 0.000 1.053 72 R CA -0.416 55.491 56.100 -0.323 0.000 0.931 72 R CB 0.423 30.567 30.300 -0.260 0.000 1.024 72 R HN 0.226 nan 8.270 nan 0.000 0.457 73 V N 4.878 124.637 119.914 -0.259 0.000 2.487 73 V HA 0.362 4.487 4.120 0.008 0.000 0.298 73 V C -0.405 175.596 176.094 -0.155 0.000 1.028 73 V CA -0.810 61.420 62.300 -0.116 0.000 0.860 73 V CB 1.557 33.352 31.823 -0.047 0.000 0.991 73 V HN 0.711 nan 8.190 nan 0.000 0.427 74 K N 3.627 123.956 120.400 -0.118 0.000 2.207 74 K HA 0.429 4.754 4.320 0.008 0.000 0.255 74 K C -0.521 175.992 176.600 -0.145 0.000 0.941 74 K CA -0.678 55.458 56.287 -0.252 0.000 0.825 74 K CB 1.386 33.557 32.500 -0.548 0.000 1.119 74 K HN 0.731 nan 8.250 nan 0.000 0.430 75 N N 3.987 122.594 118.700 -0.156 0.000 2.437 75 N HA 0.089 4.834 4.740 0.008 0.000 0.259 75 N C -0.260 175.210 175.510 -0.066 0.000 0.983 75 N CA -0.300 52.757 53.050 0.011 0.000 0.937 75 N CB 0.505 39.023 38.487 0.053 0.000 1.122 75 N HN 0.669 nan 8.380 nan 0.000 0.499 76 W N 2.075 123.455 121.300 0.134 0.000 2.658 76 W HA 0.119 4.784 4.660 0.008 0.000 0.263 76 W C 2.101 178.665 176.519 0.074 0.000 1.274 76 W CA -0.062 57.351 57.345 0.112 0.000 1.343 76 W CB 0.246 29.803 29.460 0.161 0.000 1.106 76 W HN 0.660 nan 8.180 nan 0.000 0.615 77 E N 0.515 120.867 120.200 0.253 0.000 2.107 77 E HA -0.133 4.222 4.350 0.008 0.000 0.191 77 E C 1.686 178.319 176.600 0.054 0.000 0.982 77 E CA 1.061 57.507 56.400 0.077 0.000 0.809 77 E CB -0.174 29.539 29.700 0.021 0.000 0.756 77 E HN 0.285 nan 8.360 nan 0.000 0.459 78 L N -0.944 120.309 121.223 0.050 0.000 2.609 78 L HA 0.300 4.645 4.340 0.008 0.000 0.230 78 L C 1.301 178.157 176.870 -0.023 0.000 1.087 78 L CA 0.351 55.200 54.840 0.014 0.000 0.874 78 L CB 0.657 42.728 42.059 0.020 0.000 1.114 78 L HN 0.378 nan 8.230 nan 0.000 0.488 79 G N 1.161 109.923 108.800 -0.064 0.000 2.176 79 G HA2 -0.286 3.679 3.960 0.008 0.000 0.252 79 G HA3 -0.286 3.679 3.960 0.008 0.000 0.252 79 G C 0.249 175.062 174.900 -0.144 0.000 1.024 79 G CA 0.481 45.499 45.100 -0.137 0.000 0.755 79 G HN 0.451 nan 8.290 nan 0.000 0.507 80 S N -0.577 115.049 115.700 -0.123 0.000 2.608 80 S HA 0.866 5.341 4.470 0.008 0.000 0.291 80 S C -0.037 174.476 174.600 -0.145 0.000 1.146 80 S CA -1.063 57.075 58.200 -0.103 0.000 1.043 80 S CB 2.515 65.680 63.200 -0.057 0.000 1.037 80 S HN 0.438 nan 8.310 nan 0.000 0.520 81 I N 2.142 122.634 120.570 -0.132 0.000 2.569 81 I HA 0.545 4.720 4.170 0.008 0.000 0.296 81 I C 0.192 176.214 176.117 -0.159 0.000 1.028 81 I CA -0.280 60.907 61.300 -0.189 0.000 1.082 81 I CB 1.833 39.710 38.000 -0.204 0.000 1.264 81 I HN 1.050 nan 8.210 nan 0.000 0.429 82 T N 1.848 116.268 114.554 -0.224 0.000 2.887 82 T HA 0.707 5.062 4.350 0.008 0.000 0.292 82 T C -1.234 173.272 174.700 -0.324 0.000 1.087 82 T CA -0.691 61.322 62.100 -0.146 0.000 1.009 82 T CB 1.974 70.807 68.868 -0.059 0.000 1.203 82 T HN 0.256 nan 8.240 nan 0.000 0.518 83 Y N 0.092 120.380 120.300 -0.019 0.000 2.393 83 Y HA 0.507 5.062 4.550 0.008 0.000 0.341 83 Y C -0.028 175.846 175.900 -0.044 0.000 0.988 83 Y CA -1.035 57.066 58.100 0.001 0.000 1.078 83 Y CB 1.706 40.178 38.460 0.021 0.000 1.203 83 Y HN 0.707 nan 8.280 nan 0.000 0.453 84 D N 1.785 122.260 120.400 0.126 0.000 2.380 84 D HA 0.098 4.742 4.640 0.008 0.000 0.230 84 D C 0.677 176.958 176.300 -0.032 0.000 1.154 84 D CA 0.039 54.066 54.000 0.045 0.000 0.859 84 D CB 1.271 42.127 40.800 0.093 0.000 1.045 84 D HN 0.796 nan 8.370 nan 0.000 0.495 85 T N 1.203 115.609 114.554 -0.247 0.000 3.037 85 T HA -0.066 4.289 4.350 0.008 0.000 0.251 85 T C 1.899 176.493 174.700 -0.176 0.000 1.079 85 T CA -0.199 61.614 62.100 -0.478 0.000 1.067 85 T CB 0.093 68.441 68.868 -0.867 0.000 0.948 85 T HN 0.260 nan 8.240 nan 0.000 0.496 86 L N 2.623 123.776 121.223 -0.117 0.000 2.079 86 L HA -0.036 4.309 4.340 0.008 0.000 0.210 86 L C 2.689 179.458 176.870 -0.167 0.000 1.081 86 L CA 1.482 56.289 54.840 -0.055 0.000 0.752 86 L CB -1.097 41.004 42.059 0.070 0.000 0.896 86 L HN 0.668 nan 8.230 nan 0.000 0.433 87 C N -1.348 117.646 119.300 -0.511 0.000 2.409 87 C HA -0.006 4.459 4.460 0.008 0.000 0.284 87 C C 2.752 177.545 174.990 -0.328 0.000 1.354 87 C CA 0.193 58.638 59.018 -0.955 0.000 1.787 87 C CB -2.351 24.732 27.740 -1.096 0.000 1.900 87 C HN 0.591 nan 8.230 nan 0.000 0.520 88 A N 0.218 122.979 122.820 -0.099 0.000 2.172 88 A HA -0.099 4.225 4.320 0.008 0.000 0.216 88 A C 2.175 179.759 177.584 -0.000 0.000 1.154 88 A CA 1.349 53.392 52.037 0.011 0.000 0.701 88 A CB -0.577 18.522 19.000 0.165 0.000 0.789 88 A HN 0.812 nan 8.150 nan 0.000 0.465 89 Q N -0.313 119.477 119.800 -0.016 0.000 2.403 89 Q HA 0.106 4.451 4.340 0.008 0.000 0.203 89 Q C 0.657 176.678 176.000 0.036 0.000 0.932 89 Q CA 0.098 55.914 55.803 0.022 0.000 0.945 89 Q CB 0.226 28.986 28.738 0.036 0.000 1.045 89 Q HN 0.488 nan 8.270 nan 0.000 0.511 90 S N 0.763 116.473 115.700 0.018 0.000 2.516 90 S HA 0.020 4.495 4.470 0.008 0.000 0.282 90 S C 0.299 174.927 174.600 0.046 0.000 1.286 90 S CA -0.041 58.198 58.200 0.064 0.000 1.066 90 S CB 0.461 63.711 63.200 0.083 0.000 0.884 90 S HN 0.141 nan 8.310 nan 0.000 0.491 91 Q N 3.027 122.860 119.800 0.054 0.000 2.158 91 Q HA 0.282 4.627 4.340 0.008 0.000 0.306 91 Q C -0.851 175.174 176.000 0.041 0.000 0.878 91 Q CA -0.051 55.778 55.803 0.043 0.000 1.136 91 Q CB 0.871 29.636 28.738 0.044 0.000 1.253 91 Q HN 0.861 nan 8.270 nan 0.000 0.441 92 Q N 0.498 120.325 119.800 0.045 0.000 2.313 92 Q HA 0.250 4.595 4.340 0.008 0.000 0.255 92 Q C -1.627 174.401 176.000 0.046 0.000 0.944 92 Q CA -0.324 55.502 55.803 0.039 0.000 0.881 92 Q CB 1.305 30.064 28.738 0.034 0.000 1.375 92 Q HN -0.100 nan 8.270 nan 0.000 0.422 93 D N 2.271 122.694 120.400 0.038 0.000 2.283 93 D HA 0.449 5.094 4.640 0.008 0.000 0.248 93 D C 0.309 176.635 176.300 0.043 0.000 1.072 93 D CA 0.136 54.160 54.000 0.041 0.000 0.929 93 D CB 1.443 42.262 40.800 0.031 0.000 1.182 93 D HN 0.657 nan 8.370 nan 0.000 0.433 94 G N 0.290 109.122 108.800 0.052 0.000 2.543 94 G HA2 0.359 4.324 3.960 0.008 0.000 0.290 94 G HA3 0.359 4.324 3.960 0.008 0.000 0.290 94 G C -1.638 173.289 174.900 0.045 0.000 1.310 94 G CA -0.745 44.387 45.100 0.052 0.000 1.025 94 G HN 0.323 nan 8.290 nan 0.000 0.502 95 P HA 0.164 nan 4.420 nan 0.000 0.251 95 P C 0.268 177.592 177.300 0.040 0.000 1.223 95 P CA -0.112 63.013 63.100 0.043 0.000 0.796 95 P CB 0.149 31.879 31.700 0.049 0.000 1.068 96 C N 0.917 120.243 119.300 0.044 0.000 2.534 96 C HA 0.573 5.038 4.460 0.008 0.000 0.385 96 C C 1.087 176.096 174.990 0.031 0.000 1.264 96 C CA 0.106 59.147 59.018 0.039 0.000 2.342 96 C CB 0.779 28.545 27.740 0.044 0.000 2.564 96 C HN 0.341 nan 8.230 nan 0.000 0.603 97 T N -1.184 113.385 114.554 0.025 0.000 2.901 97 T HA 0.429 4.784 4.350 0.008 0.000 0.293 97 T C -2.306 172.403 174.700 0.016 0.000 1.084 97 T CA -1.276 60.836 62.100 0.019 0.000 1.008 97 T CB 1.327 70.204 68.868 0.015 0.000 1.170 97 T HN 0.285 nan 8.240 nan 0.000 0.509 98 P HA -0.080 nan 4.420 nan 0.000 0.218 98 P C 1.514 178.819 177.300 0.008 0.000 1.146 98 P CA 0.805 63.911 63.100 0.010 0.000 0.813 98 P CB 0.095 31.799 31.700 0.006 0.000 0.778 99 R N -0.137 120.368 120.500 0.008 0.000 2.115 99 R HA -0.043 4.302 4.340 0.008 0.000 0.226 99 R C 0.536 176.841 176.300 0.008 0.000 1.100 99 R CA 0.843 56.947 56.100 0.007 0.000 0.980 99 R CB 0.116 30.420 30.300 0.007 0.000 0.875 99 R HN 0.074 nan 8.270 nan 0.000 0.445 100 R N 0.011 120.517 120.500 0.011 0.000 2.604 100 R HA 0.141 4.486 4.340 0.008 0.000 0.261 100 R C -1.965 174.346 176.300 0.017 0.000 1.080 100 R CA -0.715 55.392 56.100 0.012 0.000 0.917 100 R CB 0.050 30.357 30.300 0.012 0.000 1.252 100 R HN 0.084 nan 8.270 nan 0.000 0.456 101 C N 4.086 123.396 119.300 0.017 0.000 2.307 101 C HA 0.568 5.033 4.460 0.008 0.000 0.340 101 C C 0.895 175.903 174.990 0.031 0.000 1.275 101 C CA -0.696 58.337 59.018 0.024 0.000 1.811 101 C CB -0.683 27.067 27.740 0.017 0.000 2.372 101 C HN 0.759 nan 8.230 nan 0.000 0.531 102 L N 5.774 127.022 121.223 0.042 0.000 2.965 102 L HA 0.269 4.614 4.340 0.008 0.000 0.254 102 L C 2.106 179.020 176.870 0.073 0.000 1.220 102 L CA 0.308 55.180 54.840 0.052 0.000 1.023 102 L CB -0.256 41.833 42.059 0.049 0.000 1.355 102 L HN 1.042 nan 8.230 nan 0.000 0.545 103 G N 0.625 109.471 108.800 0.077 0.000 2.450 103 G HA2 -0.309 3.656 3.960 0.008 0.000 0.220 103 G HA3 -0.309 3.656 3.960 0.008 0.000 0.220 103 G C 1.650 176.640 174.900 0.150 0.000 1.130 103 G CA 1.267 46.430 45.100 0.106 0.000 0.760 103 G HN 0.513 nan 8.290 nan 0.000 0.557 104 S N -0.630 115.149 115.700 0.131 0.000 2.562 104 S HA 0.294 4.769 4.470 0.008 0.000 0.221 104 S C 0.778 175.483 174.600 0.175 0.000 0.975 104 S CA -0.457 57.840 58.200 0.161 0.000 0.918 104 S CB -0.084 63.178 63.200 0.104 0.000 0.772 104 S HN -0.004 nan 8.310 nan 0.000 0.531 105 L N 2.333 123.643 121.223 0.146 0.000 2.455 105 L HA 0.194 4.539 4.340 0.008 0.000 0.272 105 L C 1.392 178.384 176.870 0.204 0.000 1.174 105 L CA 0.284 55.207 54.840 0.138 0.000 0.869 105 L CB 0.783 42.899 42.059 0.095 0.000 1.130 105 L HN 0.020 nan 8.230 nan 0.000 0.474 106 V N 3.942 123.987 119.914 0.219 0.000 2.323 106 V HA -0.113 4.012 4.120 0.008 0.000 0.244 106 V C 0.931 177.141 176.094 0.193 0.000 1.041 106 V CA 1.125 63.614 62.300 0.316 0.000 1.025 106 V CB -0.296 31.711 31.823 0.307 0.000 0.656 106 V HN 0.473 nan 8.190 nan 0.000 0.451 107 L N 3.222 124.498 121.223 0.088 0.000 2.371 107 L HA 0.382 4.727 4.340 0.008 0.000 0.262 107 L C -2.423 174.495 176.870 0.079 0.000 1.054 107 L CA -1.329 53.537 54.840 0.042 0.000 0.924 107 L CB 0.808 42.795 42.059 -0.120 0.000 1.295 107 L HN 0.238 nan 8.230 nan 0.000 0.441 108 P HA 0.175 nan 4.420 nan 0.000 0.280 108 P C -0.372 176.974 177.300 0.077 0.000 1.244 108 P CA -0.568 62.580 63.100 0.081 0.000 0.784 108 P CB 0.910 32.656 31.700 0.077 0.000 0.913 109 R N 3.510 124.040 120.500 0.050 0.000 3.641 109 R HA 0.092 4.437 4.340 0.008 0.000 0.189 109 R C 0.607 176.930 176.300 0.038 0.000 1.706 109 R CA 0.127 56.251 56.100 0.041 0.000 1.311 109 R CB -0.165 30.148 30.300 0.023 0.000 1.330 109 R HN 0.464 nan 8.270 nan 0.000 0.727 110 K N 0.050 120.478 120.400 0.046 0.000 2.644 110 K HA 0.150 4.475 4.320 0.008 0.000 0.231 110 K C 1.882 178.498 176.600 0.025 0.000 1.493 110 K CA -0.222 56.085 56.287 0.033 0.000 0.836 110 K CB -0.651 31.869 32.500 0.033 0.000 1.853 110 K HN 0.060 nan 8.250 nan 0.000 0.390 111 L N 2.406 123.639 121.223 0.018 0.000 2.051 111 L HA -0.166 4.179 4.340 0.008 0.000 0.214 111 L C 1.327 178.207 176.870 0.017 0.000 1.076 111 L CA 1.178 56.015 54.840 -0.005 0.000 0.758 111 L CB -0.494 41.531 42.059 -0.058 0.000 0.890 111 L HN 0.328 nan 8.230 nan 0.000 0.433 112 Q N 0.078 119.914 119.800 0.059 0.000 2.379 112 Q HA -0.069 4.276 4.340 0.008 0.000 0.320 112 Q C -0.471 175.548 176.000 0.032 0.000 1.153 112 Q CA 1.274 57.122 55.803 0.075 0.000 0.993 112 Q CB 0.384 29.173 28.738 0.084 0.000 1.265 112 Q HN 0.340 nan 8.270 nan 0.000 0.423 113 T N 1.603 116.170 114.554 0.022 0.000 3.066 113 T HA 0.460 4.815 4.350 0.008 0.000 0.318 113 T C -0.774 173.917 174.700 -0.014 0.000 0.979 113 T CA -0.923 61.178 62.100 0.001 0.000 1.025 113 T CB 0.984 69.851 68.868 -0.001 0.000 1.002 113 T HN 0.488 nan 8.240 nan 0.000 0.453 114 R N 3.607 124.096 120.500 -0.018 0.000 2.272 114 R HA 0.395 4.740 4.340 0.008 0.000 0.334 114 R C -2.427 173.856 176.300 -0.029 0.000 1.117 114 R CA -1.832 54.250 56.100 -0.029 0.000 0.966 114 R CB -0.426 29.858 30.300 -0.026 0.000 1.049 114 R HN 0.412 nan 8.270 nan 0.000 0.477 115 P HA -0.102 nan 4.420 nan 0.000 0.249 115 P C -0.954 176.331 177.300 -0.026 0.000 1.140 115 P CA 0.734 63.814 63.100 -0.033 0.000 0.803 115 P CB 0.216 31.892 31.700 -0.041 0.000 0.745 116 S N 6.264 121.951 115.700 -0.022 0.000 2.429 116 S HA 0.102 4.577 4.470 0.008 0.000 0.292 116 S C -1.043 173.548 174.600 -0.016 0.000 1.183 116 S CA -0.900 57.289 58.200 -0.018 0.000 1.088 116 S CB 0.379 63.569 63.200 -0.017 0.000 1.018 116 S HN 0.369 nan 8.310 nan 0.000 0.511 117 P HA -0.126 nan 4.420 nan 0.000 0.219 117 P C 0.800 178.096 177.300 -0.007 0.000 1.153 117 P CA 1.479 64.573 63.100 -0.009 0.000 0.865 117 P CB -0.013 31.683 31.700 -0.006 0.000 0.788 118 G N -2.600 106.195 108.800 -0.007 0.000 2.714 118 G HA2 0.537 4.502 3.960 0.008 0.000 0.292 118 G HA3 0.537 4.502 3.960 0.008 0.000 0.292 118 G C -2.922 171.972 174.900 -0.010 0.000 1.308 118 G CA -1.465 43.631 45.100 -0.006 0.000 0.964 118 G HN -0.197 nan 8.290 nan 0.000 0.484 119 P HA 0.105 nan 4.420 nan 0.000 0.273 119 P C -2.272 175.024 177.300 -0.008 0.000 1.237 119 P CA -0.361 62.732 63.100 -0.013 0.000 0.813 119 P CB -0.255 31.444 31.700 -0.002 0.000 0.930 120 P HA 0.270 nan 4.420 nan 0.000 0.276 120 P C -2.418 174.887 177.300 0.009 0.000 1.252 120 P CA -1.462 61.639 63.100 0.001 0.000 0.802 120 P CB -1.085 30.619 31.700 0.006 0.000 1.035 121 P HA -0.028 nan 4.420 nan 0.000 0.262 121 P C 0.637 177.946 177.300 0.015 0.000 1.182 121 P CA 0.415 63.521 63.100 0.011 0.000 0.761 121 P CB 0.170 31.875 31.700 0.009 0.000 0.795 122 A N 3.612 126.442 122.820 0.015 0.000 1.948 122 A HA -0.258 4.067 4.320 0.008 0.000 0.220 122 A C 2.102 179.694 177.584 0.014 0.000 1.177 122 A CA 1.822 53.870 52.037 0.018 0.000 0.636 122 A CB -0.810 18.198 19.000 0.015 0.000 0.815 122 A HN 0.488 nan 8.150 nan 0.000 0.449 123 E N -0.581 119.626 120.200 0.011 0.000 2.076 123 E HA -0.109 4.246 4.350 0.008 0.000 0.190 123 E C 2.160 178.768 176.600 0.013 0.000 0.979 123 E CA 1.207 57.612 56.400 0.008 0.000 0.807 123 E CB -0.361 29.343 29.700 0.007 0.000 0.761 123 E HN 0.712 nan 8.360 nan 0.000 0.454 124 Q N -0.400 119.410 119.800 0.016 0.000 2.030 124 Q HA -0.178 4.167 4.340 0.008 0.000 0.204 124 Q C 2.150 178.168 176.000 0.031 0.000 0.986 124 Q CA 1.609 57.425 55.803 0.021 0.000 0.843 124 Q CB -0.230 28.519 28.738 0.017 0.000 0.904 124 Q HN 0.269 nan 8.270 nan 0.000 0.420 125 L N 0.333 121.578 121.223 0.035 0.000 2.046 125 L HA -0.185 4.160 4.340 0.008 0.000 0.208 125 L C 2.004 178.906 176.870 0.054 0.000 1.077 125 L CA 1.574 56.450 54.840 0.060 0.000 0.747 125 L CB -0.629 41.473 42.059 0.072 0.000 0.896 125 L HN 0.305 nan 8.230 nan 0.000 0.432 126 L N -0.540 120.694 121.223 0.018 0.000 2.083 126 L HA -0.174 4.171 4.340 0.008 0.000 0.209 126 L C 2.724 179.594 176.870 -0.000 0.000 1.083 126 L CA 1.939 56.768 54.840 -0.018 0.000 0.752 126 L CB -1.034 41.012 42.059 -0.021 0.000 0.899 126 L HN 0.623 nan 8.230 nan 0.000 0.433 127 S N -0.929 114.782 115.700 0.019 0.000 2.368 127 S HA -0.252 4.223 4.470 0.008 0.000 0.225 127 S C 1.765 176.400 174.600 0.057 0.000 1.030 127 S CA 0.973 59.192 58.200 0.031 0.000 0.999 127 S CB -0.418 62.799 63.200 0.029 0.000 0.844 127 S HN 0.494 nan 8.310 nan 0.000 0.459 128 Q N 1.170 121.011 119.800 0.070 0.000 2.167 128 Q HA 0.134 4.479 4.340 0.008 0.000 0.202 128 Q C 2.579 178.677 176.000 0.164 0.000 0.970 128 Q CA 1.224 57.091 55.803 0.107 0.000 0.855 128 Q CB -0.491 28.302 28.738 0.093 0.000 0.911 128 Q HN 0.766 nan 8.270 nan 0.000 0.438 129 A N 1.391 124.286 122.820 0.125 0.000 1.873 129 A HA -0.167 4.157 4.320 0.008 0.000 0.215 129 A C 2.004 179.658 177.584 0.116 0.000 1.186 129 A CA 1.073 53.175 52.037 0.108 0.000 0.616 129 A CB -0.322 18.508 19.000 -0.283 0.000 0.823 129 A HN 0.185 nan 8.150 nan 0.000 0.442 130 R N -0.434 120.096 120.500 0.051 0.000 2.091 130 R HA -0.189 4.156 4.340 0.008 0.000 0.238 130 R C 2.013 178.388 176.300 0.125 0.000 1.136 130 R CA 1.758 57.897 56.100 0.065 0.000 0.959 130 R CB -0.571 29.746 30.300 0.028 0.000 0.856 130 R HN 0.742 nan 8.270 nan 0.000 0.437 131 D N 0.130 120.612 120.400 0.138 0.000 2.117 131 D HA -0.204 4.441 4.640 0.008 0.000 0.197 131 D C 1.697 178.124 176.300 0.211 0.000 0.987 131 D CA 0.913 55.006 54.000 0.154 0.000 0.829 131 D CB -0.061 40.824 40.800 0.142 0.000 0.961 131 D HN 0.163 nan 8.370 nan 0.000 0.460 132 F N 0.753 120.791 119.950 0.146 0.000 2.146 132 F HA -0.031 4.500 4.527 0.007 0.000 0.298 132 F C 1.876 177.822 175.800 0.242 0.000 1.096 132 F CA 0.961 59.084 58.000 0.204 0.000 1.275 132 F CB -0.161 38.968 39.000 0.214 0.000 1.008 132 F HN -0.015 nan 8.300 nan 0.000 0.480 133 I N 0.910 121.538 120.570 0.095 0.000 2.286 133 I HA -0.273 3.902 4.170 0.008 0.000 0.248 133 I C 1.890 178.056 176.117 0.081 0.000 1.115 133 I CA 1.043 62.374 61.300 0.051 0.000 1.392 133 I CB -1.633 36.492 38.000 0.208 0.000 1.065 133 I HN 0.221 nan 8.210 nan 0.000 0.418 134 N N 1.179 119.950 118.700 0.119 0.000 2.104 134 N HA -0.203 4.542 4.740 0.008 0.000 0.190 134 N C 1.827 177.299 175.510 -0.064 0.000 1.024 134 N CA 1.183 54.279 53.050 0.075 0.000 0.853 134 N CB -0.379 38.193 38.487 0.142 0.000 1.008 134 N HN 0.513 nan 8.380 nan 0.000 0.424 135 Q N -0.723 119.049 119.800 -0.046 0.000 2.124 135 Q HA -0.169 4.176 4.340 0.008 0.000 0.202 135 Q C 1.720 177.518 176.000 -0.336 0.000 0.977 135 Q CA 1.155 56.929 55.803 -0.048 0.000 0.850 135 Q CB -0.254 28.593 28.738 0.181 0.000 0.901 135 Q HN 0.481 nan 8.270 nan 0.000 0.429 136 Y N 0.032 119.921 120.300 -0.686 0.000 2.114 136 Y HA -0.291 4.263 4.550 0.007 0.000 0.284 136 Y C 1.705 177.090 175.900 -0.859 0.000 1.143 136 Y CA 1.593 59.027 58.100 -1.109 0.000 1.135 136 Y CB -0.394 37.477 38.460 -0.983 0.000 0.980 136 Y HN 0.052 nan 8.280 nan 0.000 0.499 137 Y N -0.405 119.519 120.300 -0.626 0.000 2.293 137 Y HA -0.205 4.351 4.550 0.009 0.000 0.291 137 Y C 2.787 178.360 175.900 -0.544 0.000 1.137 137 Y CA 1.664 59.369 58.100 -0.657 0.000 1.202 137 Y CB -0.505 37.427 38.460 -0.881 0.000 0.990 137 Y HN 0.087 nan 8.280 nan 0.000 0.537 138 S N -0.627 114.872 115.700 -0.336 0.000 2.368 138 S HA -0.230 4.244 4.470 0.008 0.000 0.225 138 S C 2.299 176.724 174.600 -0.290 0.000 1.030 138 S CA 1.426 59.486 58.200 -0.233 0.000 0.999 138 S CB -0.617 62.501 63.200 -0.137 0.000 0.844 138 S HN 0.642 nan 8.310 nan 0.000 0.459 139 S N 2.430 117.856 115.700 -0.457 0.000 2.399 139 S HA -0.082 4.393 4.470 0.008 0.000 0.231 139 S C 1.654 175.992 174.600 -0.437 0.000 1.022 139 S CA 1.221 59.166 58.200 -0.425 0.000 0.983 139 S CB -0.780 62.029 63.200 -0.651 0.000 0.803 139 S HN 0.708 nan 8.310 nan 0.000 0.480 140 I N -3.049 117.148 120.570 -0.622 0.000 3.861 140 I HA 0.405 4.580 4.170 0.008 0.000 0.329 140 I C -0.178 175.773 176.117 -0.276 0.000 1.321 140 I CA -0.425 60.599 61.300 -0.459 0.000 1.126 140 I CB -0.122 37.510 38.000 -0.614 0.000 1.018 140 I HN -0.091 nan 8.210 nan 0.000 0.407 141 K N 2.013 122.276 120.400 -0.229 0.000 3.167 141 K HA -0.125 4.200 4.320 0.008 0.000 0.272 141 K C -0.116 176.436 176.600 -0.081 0.000 1.137 141 K CA 0.438 56.648 56.287 -0.129 0.000 0.800 141 K CB -1.645 30.798 32.500 -0.095 0.000 1.253 141 K HN 0.567 nan 8.250 nan 0.000 0.497 142 R N -0.571 119.890 120.500 -0.065 0.000 2.659 142 R HA 0.092 4.437 4.340 0.008 0.000 0.418 142 R C 0.220 176.566 176.300 0.076 0.000 1.076 142 R CA -0.271 55.853 56.100 0.040 0.000 1.093 142 R CB 0.972 31.353 30.300 0.135 0.000 1.400 142 R HN 0.177 nan 8.270 nan 0.000 0.583 143 S N -0.145 115.564 115.700 0.015 0.000 2.549 143 S HA 0.288 4.763 4.470 0.008 0.000 0.286 143 S C 1.377 176.099 174.600 0.204 0.000 1.314 143 S CA 1.475 59.729 58.200 0.090 0.000 1.062 143 S CB 0.454 63.673 63.200 0.032 0.000 0.865 143 S HN 0.730 nan 8.310 nan 0.000 0.498 144 G N 2.994 112.026 108.800 0.387 0.000 2.199 144 G HA2 -0.290 3.675 3.960 0.008 0.000 0.254 144 G HA3 -0.290 3.675 3.960 0.008 0.000 0.254 144 G C 0.305 175.214 174.900 0.016 0.000 0.982 144 G CA 0.491 45.638 45.100 0.078 0.000 0.632 144 G HN 1.691 nan 8.290 nan 0.000 0.529 145 S N -0.247 115.492 115.700 0.065 0.000 2.608 145 S HA 0.425 4.900 4.470 0.008 0.000 0.261 145 S C 1.548 176.125 174.600 -0.038 0.000 1.314 145 S CA 0.779 58.989 58.200 0.017 0.000 0.992 145 S CB 1.357 64.586 63.200 0.048 0.000 0.935 145 S HN 1.060 nan 8.310 nan 0.000 0.564 146 Q N 1.536 121.319 119.800 -0.028 0.000 2.030 146 Q HA -0.139 4.205 4.340 0.008 0.000 0.204 146 Q C 2.138 178.105 176.000 -0.056 0.000 0.986 146 Q CA 1.893 57.671 55.803 -0.042 0.000 0.843 146 Q CB -1.041 27.686 28.738 -0.018 0.000 0.904 146 Q HN 0.918 nan 8.270 nan 0.000 0.420 147 A N 0.636 123.442 122.820 -0.024 0.000 1.940 147 A HA -0.275 4.049 4.320 0.008 0.000 0.219 147 A C 2.058 179.511 177.584 -0.218 0.000 1.176 147 A CA 1.760 53.789 52.037 -0.013 0.000 0.631 147 A CB -1.215 17.863 19.000 0.130 0.000 0.814 147 A HN 0.783 nan 8.150 nan 0.000 0.446 148 H N -1.160 117.570 119.070 -0.566 0.000 2.363 148 H HA -0.084 4.477 4.556 0.009 0.000 0.301 148 H C 1.897 176.930 175.328 -0.491 0.000 1.074 148 H CA 1.071 56.503 56.048 -1.026 0.000 1.354 148 H CB 0.146 29.443 29.762 -0.776 0.000 1.397 148 H HN 0.380 nan 8.280 nan 0.000 0.516 149 E N 1.000 121.008 120.200 -0.320 0.000 2.077 149 E HA -0.155 4.200 4.350 0.008 0.000 0.193 149 E C 2.116 178.618 176.600 -0.163 0.000 0.989 149 E CA 1.007 57.243 56.400 -0.274 0.000 0.800 149 E CB -0.180 29.403 29.700 -0.195 0.000 0.746 149 E HN 0.677 nan 8.360 nan 0.000 0.452 150 E N 0.330 120.461 120.200 -0.116 0.000 2.077 150 E HA -0.201 4.154 4.350 0.008 0.000 0.193 150 E C 2.192 178.771 176.600 -0.035 0.000 0.989 150 E CA 1.070 57.436 56.400 -0.058 0.000 0.800 150 E CB -0.075 29.610 29.700 -0.026 0.000 0.746 150 E HN -0.065 nan 8.360 nan 0.000 0.452 151 R N 1.164 121.639 120.500 -0.041 0.000 2.081 151 R HA -0.092 4.253 4.340 0.008 0.000 0.235 151 R C 2.100 178.407 176.300 0.012 0.000 1.131 151 R CA 1.150 57.271 56.100 0.035 0.000 0.960 151 R CB -0.506 29.875 30.300 0.135 0.000 0.856 151 R HN 0.146 nan 8.270 nan 0.000 0.436 152 L N 0.143 121.343 121.223 -0.038 0.000 2.079 152 L HA -0.216 4.129 4.340 0.008 0.000 0.210 152 L C 2.531 179.366 176.870 -0.058 0.000 1.081 152 L CA 1.655 56.464 54.840 -0.053 0.000 0.752 152 L CB -0.469 41.528 42.059 -0.104 0.000 0.896 152 L HN 0.319 nan 8.230 nan 0.000 0.433 153 Q N -0.357 119.409 119.800 -0.056 0.000 2.046 153 Q HA -0.254 4.091 4.340 0.008 0.000 0.200 153 Q C 2.196 178.185 176.000 -0.019 0.000 0.975 153 Q CA 1.751 57.529 55.803 -0.040 0.000 0.836 153 Q CB -0.133 28.582 28.738 -0.038 0.000 0.896 153 Q HN 0.490 nan 8.270 nan 0.000 0.428 154 E N 0.355 120.553 120.200 -0.002 0.000 2.051 154 E HA -0.184 4.171 4.350 0.008 0.000 0.192 154 E C 1.962 178.576 176.600 0.023 0.000 0.991 154 E CA 1.307 57.721 56.400 0.025 0.000 0.799 154 E CB 0.112 29.841 29.700 0.049 0.000 0.748 154 E HN 0.142 nan 8.360 nan 0.000 0.449 155 V N 1.631 121.539 119.914 -0.010 0.000 2.407 155 V HA -0.245 3.880 4.120 0.008 0.000 0.248 155 V C 2.155 178.189 176.094 -0.101 0.000 1.055 155 V CA 2.188 64.432 62.300 -0.093 0.000 1.049 155 V CB -0.529 31.139 31.823 -0.258 0.000 0.662 155 V HN 0.312 nan 8.190 nan 0.000 0.455 156 E N 0.350 120.506 120.200 -0.074 0.000 2.077 156 E HA -0.184 4.171 4.350 0.008 0.000 0.193 156 E C 2.350 178.940 176.600 -0.016 0.000 0.989 156 E CA 1.294 57.662 56.400 -0.053 0.000 0.800 156 E CB -0.324 29.348 29.700 -0.046 0.000 0.746 156 E HN 0.606 nan 8.360 nan 0.000 0.452 157 A N 1.499 124.318 122.820 -0.001 0.000 1.933 157 A HA -0.244 4.081 4.320 0.008 0.000 0.218 157 A C 2.055 179.662 177.584 0.038 0.000 1.175 157 A CA 1.595 53.642 52.037 0.016 0.000 0.628 157 A CB -0.404 18.607 19.000 0.019 0.000 0.814 157 A HN 0.252 nan 8.150 nan 0.000 0.444 158 E N -0.302 119.933 120.200 0.059 0.000 2.107 158 E HA -0.099 4.256 4.350 0.008 0.000 0.191 158 E C 1.777 178.438 176.600 0.101 0.000 0.982 158 E CA 1.187 57.648 56.400 0.101 0.000 0.809 158 E CB -0.048 29.752 29.700 0.167 0.000 0.756 158 E HN 0.321 nan 8.360 nan 0.000 0.459 159 V N 1.059 121.019 119.914 0.076 0.000 2.427 159 V HA -0.203 3.922 4.120 0.008 0.000 0.248 159 V C 2.398 178.520 176.094 0.047 0.000 1.051 159 V CA 1.640 63.982 62.300 0.070 0.000 1.048 159 V CB -0.520 31.325 31.823 0.036 0.000 0.666 159 V HN 0.417 nan 8.190 nan 0.000 0.456 160 A N 0.541 123.380 122.820 0.032 0.000 1.933 160 A HA -0.199 4.126 4.320 0.008 0.000 0.218 160 A C 2.528 180.130 177.584 0.031 0.000 1.175 160 A CA 2.322 54.373 52.037 0.025 0.000 0.628 160 A CB -0.575 18.434 19.000 0.016 0.000 0.814 160 A HN 0.671 nan 8.150 nan 0.000 0.444 161 S N -1.372 114.352 115.700 0.040 0.000 2.439 161 S HA -0.060 4.415 4.470 0.008 0.000 0.224 161 S C 1.664 176.293 174.600 0.048 0.000 1.029 161 S CA 1.597 59.821 58.200 0.041 0.000 0.946 161 S CB -0.553 62.672 63.200 0.042 0.000 0.797 161 S HN 0.793 nan 8.310 nan 0.000 0.504 162 T N -3.980 110.611 114.554 0.063 0.000 3.003 162 T HA 0.535 4.890 4.350 0.008 0.000 0.261 162 T C 1.584 176.321 174.700 0.061 0.000 1.003 162 T CA 0.839 62.980 62.100 0.069 0.000 0.917 162 T CB 0.150 69.079 68.868 0.100 0.000 1.084 162 T HN 1.187 nan 8.240 nan 0.000 0.522 163 G N 0.465 109.299 108.800 0.057 0.000 2.234 163 G HA2 -0.241 3.724 3.960 0.008 0.000 0.260 163 G HA3 -0.241 3.724 3.960 0.008 0.000 0.260 163 G C 0.253 175.185 174.900 0.054 0.000 0.987 163 G CA 0.726 45.854 45.100 0.047 0.000 0.625 163 G HN 1.044 nan 8.290 nan 0.000 0.532 164 T N -1.329 113.270 114.554 0.074 0.000 2.696 164 T HA 0.733 5.088 4.350 0.008 0.000 0.291 164 T C -0.926 173.865 174.700 0.153 0.000 1.095 164 T CA 0.332 62.466 62.100 0.057 0.000 1.026 164 T CB 1.566 70.395 68.868 -0.065 0.000 1.390 164 T HN 1.401 nan 8.240 nan 0.000 0.513 165 Y N -0.903 119.314 120.300 -0.138 0.000 2.728 165 Y HA 0.848 5.403 4.550 0.008 0.000 0.330 165 Y C -1.475 174.256 175.900 -0.281 0.000 1.234 165 Y CA -1.210 56.855 58.100 -0.058 0.000 1.070 165 Y CB 1.016 39.491 38.460 0.025 0.000 1.300 165 Y HN 0.756 nan 8.280 nan 0.000 0.467 166 H N 0.475 119.556 119.070 0.019 0.000 2.717 166 H HA 0.584 5.145 4.556 0.008 0.000 0.366 166 H C -1.180 174.180 175.328 0.054 0.000 1.132 166 H CA -0.790 55.222 56.048 -0.060 0.000 1.180 166 H CB 2.071 31.843 29.762 0.016 0.000 1.678 166 H HN 0.686 nan 8.280 nan 0.000 0.537 167 L N 2.662 123.953 121.223 0.114 0.000 2.350 167 L HA 0.424 4.769 4.340 0.008 0.000 0.275 167 L C 0.627 177.568 176.870 0.119 0.000 1.099 167 L CA -0.598 54.328 54.840 0.145 0.000 0.808 167 L CB 0.715 42.832 42.059 0.097 0.000 1.149 167 L HN 0.457 nan 8.230 nan 0.000 0.442 168 R N 1.345 121.895 120.500 0.083 0.000 2.738 168 R HA -0.015 4.330 4.340 0.008 0.000 0.268 168 R C 1.156 177.458 176.300 0.003 0.000 1.062 168 R CA -0.305 55.814 56.100 0.030 0.000 1.158 168 R CB 0.650 30.944 30.300 -0.011 0.000 1.046 168 R HN 0.664 nan 8.270 nan 0.000 0.493 169 E N 1.213 121.416 120.200 0.004 0.000 2.070 169 E HA -0.249 4.106 4.350 0.008 0.000 0.197 169 E C 1.534 178.133 176.600 -0.003 0.000 1.004 169 E CA 2.132 58.529 56.400 -0.005 0.000 0.805 169 E CB 0.084 29.785 29.700 0.001 0.000 0.744 169 E HN 0.689 nan 8.360 nan 0.000 0.451 170 S N -0.047 115.652 115.700 -0.002 0.000 2.402 170 S HA -0.152 4.323 4.470 0.008 0.000 0.229 170 S C 1.748 176.379 174.600 0.051 0.000 1.021 170 S CA 1.171 59.398 58.200 0.045 0.000 0.974 170 S CB -0.220 63.031 63.200 0.085 0.000 0.800 170 S HN 0.325 nan 8.310 nan 0.000 0.484 171 E N 0.803 120.914 120.200 -0.149 0.000 2.072 171 E HA -0.038 4.317 4.350 0.008 0.000 0.191 171 E C 2.017 178.762 176.600 0.242 0.000 0.985 171 E CA 1.074 57.414 56.400 -0.099 0.000 0.801 171 E CB -0.304 29.322 29.700 -0.125 0.000 0.750 171 E HN 0.426 nan 8.360 nan 0.000 0.452 172 L N 0.769 122.037 121.223 0.075 0.000 2.046 172 L HA -0.160 4.185 4.340 0.008 0.000 0.208 172 L C 2.178 179.041 176.870 -0.011 0.000 1.077 172 L CA 1.392 56.212 54.840 -0.032 0.000 0.747 172 L CB -0.326 41.655 42.059 -0.129 0.000 0.896 172 L HN -0.048 nan 8.230 nan 0.000 0.432 173 V N -0.442 119.499 119.914 0.045 0.000 2.295 173 V HA -0.314 3.811 4.120 0.008 0.000 0.246 173 V C 2.329 178.522 176.094 0.164 0.000 1.049 173 V CA 2.130 64.468 62.300 0.063 0.000 1.024 173 V CB -0.944 30.917 31.823 0.064 0.000 0.648 173 V HN 0.583 nan 8.190 nan 0.000 0.447 174 F N 2.084 122.121 119.950 0.145 0.000 2.095 174 F HA -0.065 4.466 4.527 0.007 0.000 0.298 174 F C 2.195 178.127 175.800 0.220 0.000 1.104 174 F CA 1.813 59.944 58.000 0.218 0.000 1.232 174 F CB -1.041 38.152 39.000 0.321 0.000 0.987 174 F HN 0.126 nan 8.300 nan 0.000 0.475 175 G N -0.079 108.794 108.800 0.121 0.000 2.476 175 G HA2 -0.285 3.679 3.960 0.008 0.000 0.218 175 G HA3 -0.285 3.679 3.960 0.008 0.000 0.218 175 G C 1.813 176.575 174.900 -0.230 0.000 1.164 175 G CA 1.147 46.210 45.100 -0.062 0.000 0.768 175 G HN 0.677 nan 8.290 nan 0.000 0.560 176 A N 0.571 123.291 122.820 -0.167 0.000 1.898 176 A HA 0.049 4.374 4.320 0.008 0.000 0.216 176 A C 2.313 179.876 177.584 -0.036 0.000 1.181 176 A CA 1.888 53.826 52.037 -0.165 0.000 0.620 176 A CB -0.307 18.627 19.000 -0.110 0.000 0.819 176 A HN 0.383 nan 8.150 nan 0.000 0.442 177 K N -0.720 119.706 120.400 0.042 0.000 2.148 177 K HA -0.112 4.213 4.320 0.008 0.000 0.204 177 K C 2.191 178.833 176.600 0.071 0.000 1.050 177 K CA 1.183 57.603 56.287 0.221 0.000 0.942 177 K CB -0.091 32.606 32.500 0.330 0.000 0.724 177 K HN 0.365 nan 8.250 nan 0.000 0.446 178 Q N 0.123 119.789 119.800 -0.223 0.000 2.172 178 Q HA -0.030 4.315 4.340 0.008 0.000 0.200 178 Q C 2.129 177.958 176.000 -0.285 0.000 0.964 178 Q CA 1.245 56.811 55.803 -0.396 0.000 0.855 178 Q CB -0.136 28.239 28.738 -0.604 0.000 0.918 178 Q HN 0.306 nan 8.270 nan 0.000 0.444 179 A N 0.059 122.703 122.820 -0.293 0.000 1.933 179 A HA -0.183 4.142 4.320 0.008 0.000 0.218 179 A C 1.809 179.366 177.584 -0.045 0.000 1.175 179 A CA 1.347 53.141 52.037 -0.405 0.000 0.628 179 A CB -0.875 17.491 19.000 -1.057 0.000 0.814 179 A HN 0.516 nan 8.150 nan 0.000 0.444 180 W N 0.913 122.197 121.300 -0.025 0.000 2.378 180 W HA -0.110 4.554 4.660 0.006 0.000 0.313 180 W C 2.355 178.830 176.519 -0.073 0.000 1.197 180 W CA 1.465 58.852 57.345 0.070 0.000 1.304 180 W CB -0.763 28.740 29.460 0.070 0.000 1.148 180 W HN 0.367 nan 8.180 nan 0.000 0.494 181 R N 0.416 120.824 120.500 -0.153 0.000 2.117 181 R HA -0.222 4.123 4.340 0.008 0.000 0.243 181 R C 1.573 177.704 176.300 -0.280 0.000 1.143 181 R CA 1.976 57.773 56.100 -0.505 0.000 0.968 181 R CB -0.610 29.072 30.300 -1.030 0.000 0.863 181 R HN 0.105 nan 8.270 nan 0.000 0.444 182 N N 0.180 118.766 118.700 -0.192 0.000 2.463 182 N HA 0.017 4.762 4.740 0.008 0.000 0.181 182 N C -0.362 175.096 175.510 -0.086 0.000 1.078 182 N CA 0.760 53.721 53.050 -0.148 0.000 0.902 182 N CB 0.340 38.738 38.487 -0.148 0.000 0.970 182 N HN 0.201 nan 8.380 nan 0.000 0.451 183 A N 1.828 124.649 122.820 0.001 0.000 2.444 183 A HA 0.274 4.598 4.320 0.008 0.000 0.287 183 A C -1.337 176.229 177.584 -0.029 0.000 1.195 183 A CA -0.990 51.051 52.037 0.008 0.000 0.858 183 A CB 0.422 19.482 19.000 0.099 0.000 1.117 183 A HN 0.005 nan 8.150 nan 0.000 0.521 184 P HA -0.077 nan 4.420 nan 0.000 0.223 184 P C 1.060 178.320 177.300 -0.068 0.000 1.151 184 P CA 1.016 64.065 63.100 -0.085 0.000 0.787 184 P CB 0.176 31.792 31.700 -0.139 0.000 0.788 185 R N -1.860 118.563 120.500 -0.128 0.000 2.310 185 R HA 0.123 4.468 4.340 0.008 0.000 0.202 185 R C 0.368 176.648 176.300 -0.035 0.000 0.933 185 R CA -0.088 55.946 56.100 -0.110 0.000 1.054 185 R CB -0.504 29.577 30.300 -0.364 0.000 0.985 185 R HN 0.172 nan 8.270 nan 0.000 0.489 186 C N 0.638 119.923 119.300 -0.025 0.000 2.303 186 C HA 0.196 4.661 4.460 0.008 0.000 0.341 186 C C 1.950 176.895 174.990 -0.075 0.000 1.244 186 C CA -0.649 58.379 59.018 0.016 0.000 1.765 186 C CB 0.455 28.287 27.740 0.153 0.000 2.379 186 C HN 0.279 nan 8.230 nan 0.000 0.530 187 V N 6.076 125.899 119.914 -0.153 0.000 3.380 187 V HA 0.167 4.291 4.120 0.008 0.000 0.268 187 V C 1.827 177.934 176.094 0.022 0.000 1.168 187 V CA 2.209 64.329 62.300 -0.300 0.000 1.156 187 V CB -0.179 31.493 31.823 -0.253 0.000 0.785 187 V HN 1.086 nan 8.190 nan 0.000 0.487 188 G N -0.905 107.949 108.800 0.089 0.000 3.284 188 G HA2 0.030 3.995 3.960 0.008 0.000 0.236 188 G HA3 0.030 3.995 3.960 0.008 0.000 0.236 188 G C 1.294 176.233 174.900 0.064 0.000 1.158 188 G CA -0.319 44.851 45.100 0.116 0.000 0.774 188 G HN 0.415 nan 8.290 nan 0.000 0.545 189 R N -0.165 120.298 120.500 -0.061 0.000 2.341 189 R HA 0.109 4.454 4.340 0.008 0.000 0.213 189 R C 1.976 177.850 176.300 -0.709 0.000 1.082 189 R CA 0.194 55.961 56.100 -0.554 0.000 1.017 189 R CB -0.174 29.790 30.300 -0.561 0.000 0.860 189 R HN 0.435 nan 8.270 nan 0.000 0.473 190 I N 0.898 121.244 120.570 -0.374 0.000 2.567 190 I HA -0.240 3.935 4.170 0.008 0.000 0.257 190 I C 1.312 177.329 176.117 -0.167 0.000 1.184 190 I CA 1.181 62.392 61.300 -0.147 0.000 1.451 190 I CB 0.153 38.179 38.000 0.044 0.000 1.089 190 I HN 0.187 nan 8.210 nan 0.000 0.441 191 Q N 0.573 120.224 119.800 -0.248 0.000 2.444 191 Q HA -0.125 4.220 4.340 0.008 0.000 0.206 191 Q C 1.638 177.257 176.000 -0.634 0.000 0.948 191 Q CA 0.525 56.176 55.803 -0.253 0.000 0.946 191 Q CB -0.246 28.514 28.738 0.037 0.000 1.027 191 Q HN 0.788 nan 8.270 nan 0.000 0.513 192 W N -0.213 120.468 121.300 -1.031 0.000 2.350 192 W HA -0.068 4.599 4.660 0.011 0.000 0.289 192 W C 1.276 177.547 176.519 -0.414 0.000 1.215 192 W CA 1.084 57.672 57.345 -1.262 0.000 1.236 192 W CB -1.232 27.642 29.460 -0.977 0.000 1.130 192 W HN 0.070 nan 8.180 nan 0.000 0.541 193 G N 1.248 109.322 108.800 -1.210 0.000 2.534 193 G HA2 -0.233 3.732 3.960 0.008 0.000 0.217 193 G HA3 -0.233 3.732 3.960 0.008 0.000 0.217 193 G C 1.342 176.010 174.900 -0.387 0.000 1.128 193 G CA 0.345 44.820 45.100 -1.043 0.000 0.784 193 G HN 0.305 nan 8.290 nan 0.000 0.542 194 K N 0.186 120.454 120.400 -0.220 0.000 3.129 194 K HA 0.359 4.684 4.320 0.008 0.000 0.241 194 K C -0.543 176.139 176.600 0.137 0.000 1.239 194 K CA -0.617 55.658 56.287 -0.020 0.000 1.239 194 K CB -0.247 32.272 32.500 0.031 0.000 1.347 194 K HN 0.144 nan 8.250 nan 0.000 0.435 195 L N 1.669 122.991 121.223 0.166 0.000 2.307 195 L HA 0.318 4.663 4.340 0.008 0.000 0.282 195 L C -0.656 176.234 176.870 0.033 0.000 1.051 195 L CA -0.206 54.765 54.840 0.218 0.000 0.804 195 L CB 1.482 43.762 42.059 0.367 0.000 1.197 195 L HN 0.175 nan 8.230 nan 0.000 0.431 196 Q N 3.633 123.400 119.800 -0.056 0.000 2.322 196 Q HA 0.415 4.760 4.340 0.008 0.000 0.256 196 Q C -1.542 174.176 176.000 -0.471 0.000 0.960 196 Q CA -0.224 55.395 55.803 -0.306 0.000 0.934 196 Q CB 1.099 29.610 28.738 -0.378 0.000 1.200 196 Q HN 0.546 nan 8.270 nan 0.000 0.435 197 V N 6.450 126.113 119.914 -0.419 0.000 2.334 197 V HA 0.336 4.461 4.120 0.008 0.000 0.267 197 V C -0.580 175.248 176.094 -0.443 0.000 1.040 197 V CA -0.469 61.629 62.300 -0.337 0.000 0.866 197 V CB -0.162 31.558 31.823 -0.172 0.000 1.019 197 V HN 0.640 nan 8.190 nan 0.000 0.468 198 F N 2.881 122.714 119.950 -0.194 0.000 2.424 198 F HA 0.342 4.871 4.527 0.003 0.000 0.356 198 F C 0.614 176.265 175.800 -0.247 0.000 1.110 198 F CA -0.838 57.039 58.000 -0.206 0.000 1.161 198 F CB 0.759 39.639 39.000 -0.199 0.000 1.115 198 F HN 0.413 nan 8.300 nan 0.000 0.507 199 D N 3.155 123.539 120.400 -0.027 0.000 2.339 199 D HA 0.401 5.046 4.640 0.008 0.000 0.241 199 D C -0.031 176.125 176.300 -0.240 0.000 1.183 199 D CA -0.062 53.852 54.000 -0.145 0.000 0.859 199 D CB 1.232 41.981 40.800 -0.085 0.000 1.067 199 D HN 0.609 nan 8.370 nan 0.000 0.484 200 A N 4.655 127.165 122.820 -0.517 0.000 2.701 200 A HA 0.177 4.502 4.320 0.008 0.000 0.297 200 A C 1.438 178.717 177.584 -0.509 0.000 1.197 200 A CA -0.421 51.058 52.037 -0.930 0.000 0.963 200 A CB -0.003 17.838 19.000 -1.931 0.000 1.175 200 A HN 0.564 nan 8.150 nan 0.000 0.531 201 R N 0.548 120.901 120.500 -0.246 0.000 2.339 201 R HA -0.058 4.287 4.340 0.008 0.000 0.199 201 R C 0.554 176.829 176.300 -0.043 0.000 1.018 201 R CA 1.094 57.129 56.100 -0.108 0.000 1.036 201 R CB 0.097 30.390 30.300 -0.011 0.000 0.899 201 R HN 0.663 nan 8.270 nan 0.000 0.473 202 D N -0.858 119.534 120.400 -0.013 0.000 2.339 202 D HA -0.056 4.589 4.640 0.008 0.000 0.217 202 D C 0.361 176.738 176.300 0.127 0.000 1.050 202 D CA -0.283 53.759 54.000 0.070 0.000 0.856 202 D CB -0.514 40.349 40.800 0.105 0.000 0.922 202 D HN -0.035 nan 8.370 nan 0.000 0.518 203 C N 1.705 121.064 119.300 0.099 0.000 2.642 203 C HA 0.340 4.805 4.460 0.008 0.000 0.420 203 C C 1.591 176.743 174.990 0.269 0.000 1.349 203 C CA 0.657 59.813 59.018 0.229 0.000 1.821 203 C CB -0.474 27.418 27.740 0.253 0.000 2.637 203 C HN 0.485 nan 8.230 nan 0.000 0.605 204 S N 2.161 118.054 115.700 0.322 0.000 2.900 204 S HA 0.307 4.782 4.470 0.008 0.000 0.253 204 S C -0.130 174.634 174.600 0.273 0.000 1.029 204 S CA 0.186 58.593 58.200 0.344 0.000 1.096 204 S CB -0.235 63.095 63.200 0.217 0.000 1.067 204 S HN 1.204 nan 8.310 nan 0.000 0.610 205 S N -0.311 115.550 115.700 0.268 0.000 2.579 205 S HA 0.826 5.301 4.470 0.008 0.000 0.272 205 S C 0.893 175.582 174.600 0.148 0.000 1.141 205 S CA -0.316 57.981 58.200 0.162 0.000 0.843 205 S CB 1.052 64.329 63.200 0.128 0.000 1.122 205 S HN 0.539 nan 8.310 nan 0.000 0.468 206 A N 0.924 123.801 122.820 0.094 0.000 1.940 206 A HA -0.116 4.209 4.320 0.008 0.000 0.219 206 A C 2.129 179.700 177.584 -0.021 0.000 1.176 206 A CA 2.283 54.360 52.037 0.067 0.000 0.631 206 A CB -1.256 17.854 19.000 0.183 0.000 0.814 206 A HN 0.939 nan 8.150 nan 0.000 0.446 207 Q N 0.134 120.014 119.800 0.134 0.000 2.096 207 Q HA -0.213 4.132 4.340 0.008 0.000 0.204 207 Q C 1.892 177.904 176.000 0.020 0.000 0.982 207 Q CA 2.380 58.229 55.803 0.076 0.000 0.850 207 Q CB -0.383 28.475 28.738 0.200 0.000 0.901 207 Q HN 0.754 nan 8.270 nan 0.000 0.422 208 E N -0.872 119.381 120.200 0.088 0.000 2.106 208 E HA -0.164 4.191 4.350 0.008 0.000 0.192 208 E C 1.891 178.627 176.600 0.227 0.000 0.984 208 E CA 1.203 57.684 56.400 0.135 0.000 0.806 208 E CB -0.083 29.740 29.700 0.206 0.000 0.750 208 E HN 0.489 nan 8.360 nan 0.000 0.458 209 M N -0.268 119.424 119.600 0.153 0.000 2.108 209 M HA -0.159 4.325 4.480 0.008 0.000 0.261 209 M C 2.141 178.488 176.300 0.079 0.000 1.066 209 M CA 1.432 56.779 55.300 0.077 0.000 1.107 209 M CB -0.398 32.006 32.600 -0.326 0.000 1.356 209 M HN 0.187 nan 8.290 nan 0.000 0.406 210 F N 1.105 120.851 119.950 -0.339 0.000 2.134 210 F HA -0.220 4.313 4.527 0.010 0.000 0.299 210 F C 2.320 178.018 175.800 -0.170 0.000 1.097 210 F CA 1.725 59.475 58.000 -0.416 0.000 1.264 210 F CB -0.185 38.230 39.000 -0.976 0.000 1.001 210 F HN 0.035 nan 8.300 nan 0.000 0.479 211 T N -0.381 114.069 114.554 -0.173 0.000 2.684 211 T HA -0.268 4.087 4.350 0.008 0.000 0.267 211 T C 1.596 176.160 174.700 -0.227 0.000 1.036 211 T CA 1.961 63.904 62.100 -0.261 0.000 1.148 211 T CB -0.804 67.947 68.868 -0.195 0.000 0.863 211 T HN 0.378 nan 8.240 nan 0.000 0.436 212 Y N 0.716 120.971 120.300 -0.076 0.000 2.165 212 Y HA -0.087 4.468 4.550 0.007 0.000 0.286 212 Y C 2.253 178.105 175.900 -0.080 0.000 1.155 212 Y CA 0.872 58.936 58.100 -0.060 0.000 1.164 212 Y CB -0.320 38.194 38.460 0.089 0.000 0.978 212 Y HN 0.183 nan 8.280 nan 0.000 0.513 213 I N -1.638 118.994 120.570 0.104 0.000 2.286 213 I HA -0.316 3.859 4.170 0.008 0.000 0.245 213 I C 2.249 178.279 176.117 -0.145 0.000 1.104 213 I CA 0.709 62.003 61.300 -0.010 0.000 1.397 213 I CB -0.439 37.550 38.000 -0.019 0.000 1.072 213 I HN 0.288 nan 8.210 nan 0.000 0.417 214 C N 0.829 119.917 119.300 -0.353 0.000 2.429 214 C HA -0.138 4.327 4.460 0.008 0.000 0.277 214 C C 2.594 177.479 174.990 -0.175 0.000 1.262 214 C CA 0.809 59.630 59.018 -0.328 0.000 1.733 214 C CB -1.430 26.006 27.740 -0.508 0.000 2.010 214 C HN 0.548 nan 8.230 nan 0.000 0.483 215 N N -0.083 118.507 118.700 -0.183 0.000 2.188 215 N HA -0.131 4.614 4.740 0.008 0.000 0.184 215 N C 1.434 176.864 175.510 -0.133 0.000 1.018 215 N CA 1.342 54.285 53.050 -0.178 0.000 0.858 215 N CB -0.785 37.532 38.487 -0.283 0.000 0.989 215 N HN 0.768 nan 8.380 nan 0.000 0.426 216 H N 0.600 119.541 119.070 -0.214 0.000 2.293 216 H HA 0.054 4.616 4.556 0.010 0.000 0.300 216 H C 2.095 177.450 175.328 0.046 0.000 1.082 216 H CA 1.506 57.498 56.048 -0.094 0.000 1.308 216 H CB -0.048 29.701 29.762 -0.021 0.000 1.375 216 H HN 0.077 nan 8.280 nan 0.000 0.495 217 I N 0.785 121.482 120.570 0.211 0.000 2.208 217 I HA -0.282 3.893 4.170 0.008 0.000 0.245 217 I C 2.285 178.470 176.117 0.114 0.000 1.097 217 I CA 1.543 62.930 61.300 0.146 0.000 1.363 217 I CB -0.250 37.762 38.000 0.021 0.000 1.051 217 I HN 0.352 nan 8.210 nan 0.000 0.413 218 K N -0.106 120.332 120.400 0.064 0.000 2.057 218 K HA -0.218 4.107 4.320 0.008 0.000 0.206 218 K C 2.201 178.857 176.600 0.092 0.000 1.050 218 K CA 1.550 57.869 56.287 0.053 0.000 0.935 218 K CB -0.429 32.080 32.500 0.015 0.000 0.715 218 K HN 0.268 nan 8.250 nan 0.000 0.439 219 Y N 1.723 122.036 120.300 0.021 0.000 2.114 219 Y HA -0.285 4.267 4.550 0.003 0.000 0.284 219 Y C 2.357 178.319 175.900 0.102 0.000 1.143 219 Y CA 1.727 59.873 58.100 0.076 0.000 1.135 219 Y CB -0.271 38.279 38.460 0.151 0.000 0.980 219 Y HN 0.050 nan 8.280 nan 0.000 0.499 220 A N -0.820 122.140 122.820 0.234 0.000 1.898 220 A HA -0.150 4.175 4.320 0.008 0.000 0.216 220 A C 2.191 179.837 177.584 0.103 0.000 1.181 220 A CA 2.196 54.342 52.037 0.183 0.000 0.620 220 A CB -1.266 17.908 19.000 0.290 0.000 0.819 220 A HN 0.517 nan 8.150 nan 0.000 0.442 221 T N -0.357 114.256 114.554 0.098 0.000 2.770 221 T HA -0.084 4.271 4.350 0.008 0.000 0.263 221 T C 1.050 175.761 174.700 0.018 0.000 1.039 221 T CA 1.184 63.330 62.100 0.076 0.000 1.142 221 T CB -0.405 68.506 68.868 0.073 0.000 0.868 221 T HN 0.617 nan 8.240 nan 0.000 0.435 222 N N 1.099 119.784 118.700 -0.025 0.000 2.714 222 N HA -0.246 4.499 4.740 0.008 0.000 0.252 222 N C -0.185 175.300 175.510 -0.040 0.000 1.014 222 N CA 0.498 53.509 53.050 -0.065 0.000 0.735 222 N CB -1.299 37.107 38.487 -0.136 0.000 0.924 222 N HN 0.479 nan 8.380 nan 0.000 0.540 223 R N -2.200 118.288 120.500 -0.020 0.000 3.741 223 R HA -0.229 4.116 4.340 0.008 0.000 0.292 223 R C 1.240 177.527 176.300 -0.021 0.000 1.176 223 R CA 1.263 57.352 56.100 -0.019 0.000 0.794 223 R CB -1.987 28.299 30.300 -0.024 0.000 1.213 223 R HN 1.033 nan 8.270 nan 0.000 0.494 224 G N -0.265 108.531 108.800 -0.008 0.000 2.218 224 G HA2 -0.302 3.663 3.960 0.008 0.000 0.216 224 G HA3 -0.302 3.663 3.960 0.008 0.000 0.216 224 G C -0.108 174.782 174.900 -0.016 0.000 0.994 224 G CA 0.040 45.137 45.100 -0.004 0.000 0.637 224 G HN 0.373 nan 8.290 nan 0.000 0.505 225 N N 1.223 119.900 118.700 -0.040 0.000 2.918 225 N HA 0.515 5.260 4.740 0.008 0.000 0.247 225 N C 0.310 175.783 175.510 -0.063 0.000 1.117 225 N CA -0.443 52.562 53.050 -0.074 0.000 1.005 225 N CB -0.094 38.344 38.487 -0.081 0.000 1.297 225 N HN 0.215 nan 8.380 nan 0.000 0.513 226 L N 2.064 123.272 121.223 -0.025 0.000 2.483 226 L HA 0.244 4.589 4.340 0.008 0.000 0.276 226 L C 0.768 177.728 176.870 0.150 0.000 1.213 226 L CA 0.723 55.622 54.840 0.098 0.000 0.843 226 L CB 0.385 42.598 42.059 0.255 0.000 1.107 226 L HN 0.370 nan 8.230 nan 0.000 0.487 227 R N 1.295 121.912 120.500 0.195 0.000 2.532 227 R HA 0.421 4.766 4.340 0.008 0.000 0.297 227 R C -0.743 175.726 176.300 0.281 0.000 0.984 227 R CA -0.680 55.556 56.100 0.227 0.000 0.884 227 R CB 1.719 32.014 30.300 -0.008 0.000 1.182 227 R HN 0.565 nan 8.270 nan 0.000 0.442 228 S N 1.517 117.399 115.700 0.304 0.000 2.549 228 S HA 0.430 4.905 4.470 0.008 0.000 0.286 228 S C -0.213 174.442 174.600 0.093 0.000 1.314 228 S CA -0.103 58.170 58.200 0.121 0.000 1.062 228 S CB 1.093 64.341 63.200 0.080 0.000 0.865 228 S HN 0.696 nan 8.310 nan 0.000 0.498 229 A N 2.697 125.528 122.820 0.020 0.000 2.612 229 A HA 0.817 5.142 4.320 0.008 0.000 0.293 229 A C -1.275 176.324 177.584 0.024 0.000 1.075 229 A CA -0.665 51.327 52.037 -0.075 0.000 0.680 229 A CB 1.154 20.043 19.000 -0.184 0.000 1.279 229 A HN 0.786 nan 8.150 nan 0.000 0.411 230 I N 0.262 120.847 120.570 0.025 0.000 2.686 230 I HA 0.681 4.856 4.170 0.008 0.000 0.295 230 I C -1.074 175.161 176.117 0.197 0.000 1.114 230 I CA -0.166 61.273 61.300 0.232 0.000 1.038 230 I CB 2.456 40.553 38.000 0.161 0.000 1.238 230 I HN 0.601 nan 8.210 nan 0.000 0.420 231 T N 6.102 120.805 114.554 0.249 0.000 2.786 231 T HA 0.469 4.824 4.350 0.008 0.000 0.283 231 T C -0.866 173.663 174.700 -0.285 0.000 0.992 231 T CA -0.365 61.732 62.100 -0.005 0.000 0.954 231 T CB 1.541 70.404 68.868 -0.008 0.000 0.934 231 T HN 0.262 nan 8.240 nan 0.000 0.440 232 V N 5.008 124.671 119.914 -0.418 0.000 2.334 232 V HA 0.467 4.592 4.120 0.008 0.000 0.281 232 V C -0.425 175.362 176.094 -0.512 0.000 1.016 232 V CA -0.860 61.207 62.300 -0.388 0.000 0.832 232 V CB 0.082 31.652 31.823 -0.421 0.000 0.999 232 V HN 0.729 nan 8.190 nan 0.000 0.439 233 F N 5.351 125.207 119.950 -0.157 0.000 2.378 233 F HA 0.463 4.996 4.527 0.010 0.000 0.319 233 F C -1.724 173.947 175.800 -0.214 0.000 1.155 233 F CA -2.366 55.447 58.000 -0.311 0.000 1.157 233 F CB 0.133 38.925 39.000 -0.345 0.000 1.252 233 F HN 0.292 nan 8.300 nan 0.000 0.550 234 P HA -0.036 nan 4.420 nan 0.000 0.265 234 P C -0.894 176.418 177.300 0.019 0.000 1.187 234 P CA -0.100 62.940 63.100 -0.100 0.000 0.766 234 P CB 0.250 31.822 31.700 -0.212 0.000 0.820 235 Q N 3.520 123.272 119.800 -0.080 0.000 2.492 235 Q HA 0.131 4.476 4.340 0.008 0.000 0.238 235 Q C -0.239 175.652 176.000 -0.182 0.000 1.045 235 Q CA -0.308 55.224 55.803 -0.452 0.000 0.934 235 Q CB 0.519 28.704 28.738 -0.922 0.000 1.276 235 Q HN 0.336 nan 8.270 nan 0.000 0.521 236 R N 0.067 120.441 120.500 -0.209 0.000 2.679 236 R HA 0.365 4.710 4.340 0.008 0.000 0.268 236 R C -0.596 175.643 176.300 -0.101 0.000 1.044 236 R CA 0.528 56.575 56.100 -0.088 0.000 1.105 236 R CB 0.388 30.632 30.300 -0.094 0.000 0.989 236 R HN 0.718 nan 8.270 nan 0.000 0.447 237 A N 3.786 126.588 122.820 -0.031 0.000 2.515 237 A HA 0.540 4.865 4.320 0.008 0.000 0.298 237 A C -2.544 175.036 177.584 -0.006 0.000 1.059 237 A CA -1.894 50.129 52.037 -0.023 0.000 0.698 237 A CB 1.451 20.467 19.000 0.026 0.000 1.289 237 A HN 0.408 nan 8.150 nan 0.000 0.404 238 P HA 0.291 nan 4.420 nan 0.000 0.262 238 P C 0.784 178.092 177.300 0.014 0.000 1.182 238 P CA 1.940 65.043 63.100 0.004 0.000 0.761 238 P CB 0.369 32.076 31.700 0.011 0.000 0.795 239 G N 2.151 110.958 108.800 0.011 0.000 2.359 239 G HA2 -0.213 3.752 3.960 0.008 0.000 0.298 239 G HA3 -0.213 3.752 3.960 0.008 0.000 0.298 239 G C -0.060 174.849 174.900 0.015 0.000 1.030 239 G CA -0.073 45.034 45.100 0.013 0.000 1.149 239 G HN 0.815 nan 8.290 nan 0.000 0.512 240 R N -0.534 119.972 120.500 0.011 0.000 2.725 240 R HA 0.491 4.835 4.340 0.008 0.000 0.254 240 R C 0.531 176.831 176.300 0.001 0.000 1.076 240 R CA 0.080 56.186 56.100 0.010 0.000 0.940 240 R CB 0.404 30.721 30.300 0.028 0.000 1.260 240 R HN 0.931 nan 8.270 nan 0.000 0.466 241 G N 1.465 110.254 108.800 -0.018 0.000 2.634 241 G HA2 0.219 4.184 3.960 0.008 0.000 0.255 241 G HA3 0.219 4.184 3.960 0.008 0.000 0.255 241 G C -0.567 174.314 174.900 -0.032 0.000 1.205 241 G CA -0.279 44.806 45.100 -0.024 0.000 0.884 241 G HN 0.549 nan 8.290 nan 0.000 0.549 242 D N -0.613 119.781 120.400 -0.009 0.000 2.225 242 D HA 0.320 4.965 4.640 0.008 0.000 0.249 242 D C -0.202 176.099 176.300 0.001 0.000 1.052 242 D CA -0.064 53.963 54.000 0.045 0.000 0.909 242 D CB 1.161 42.001 40.800 0.066 0.000 1.186 242 D HN 0.079 nan 8.370 nan 0.000 0.431 243 F N 1.696 121.671 119.950 0.041 0.000 2.504 243 F HA 0.218 4.750 4.527 0.010 0.000 0.369 243 F C 1.189 177.018 175.800 0.048 0.000 1.082 243 F CA 0.194 58.207 58.000 0.022 0.000 1.216 243 F CB 0.427 39.427 39.000 -0.000 0.000 1.108 243 F HN -0.184 nan 8.300 nan 0.000 0.554 244 R N 3.747 124.372 120.500 0.208 0.000 2.651 244 R HA 0.504 4.849 4.340 0.008 0.000 0.278 244 R C -1.120 175.328 176.300 0.246 0.000 1.010 244 R CA -0.894 55.344 56.100 0.230 0.000 0.896 244 R CB 2.172 32.635 30.300 0.272 0.000 1.211 244 R HN 0.610 nan 8.270 nan 0.000 0.456 245 I N 2.105 122.805 120.570 0.217 0.000 2.304 245 I HA 0.159 4.334 4.170 0.008 0.000 0.291 245 I C 0.529 176.860 176.117 0.356 0.000 1.018 245 I CA -0.379 61.049 61.300 0.213 0.000 1.260 245 I CB 1.065 39.131 38.000 0.110 0.000 1.390 245 I HN 0.517 nan 8.210 nan 0.000 0.475 246 W N 3.493 124.836 121.300 0.072 0.000 2.436 246 W HA -0.032 4.632 4.660 0.008 0.000 0.284 246 W C 0.970 177.592 176.519 0.173 0.000 1.225 246 W CA -0.021 57.438 57.345 0.190 0.000 1.271 246 W CB -0.797 28.745 29.460 0.137 0.000 1.114 246 W HN 0.401 nan 8.180 nan 0.000 0.559 247 N N 0.090 118.948 118.700 0.264 0.000 2.441 247 N HA -0.013 4.732 4.740 0.008 0.000 0.251 247 N C 1.310 176.880 175.510 0.100 0.000 1.242 247 N CA 0.956 54.080 53.050 0.123 0.000 0.898 247 N CB 0.734 39.232 38.487 0.018 0.000 1.100 247 N HN -0.086 nan 8.380 nan 0.000 0.443 248 S N 0.524 116.271 115.700 0.078 0.000 2.478 248 S HA 0.036 4.511 4.470 0.008 0.000 0.222 248 S C 0.321 174.912 174.600 -0.015 0.000 1.008 248 S CA 0.385 58.617 58.200 0.053 0.000 0.928 248 S CB 0.146 63.397 63.200 0.084 0.000 0.781 248 S HN 0.613 nan 8.310 nan 0.000 0.518 249 Q N -0.379 119.396 119.800 -0.042 0.000 2.413 249 Q HA 0.521 4.866 4.340 0.008 0.000 0.276 249 Q C 0.275 176.182 176.000 -0.156 0.000 1.099 249 Q CA -0.564 55.173 55.803 -0.109 0.000 0.814 249 Q CB 2.016 30.713 28.738 -0.068 0.000 1.379 249 Q HN 0.119 nan 8.270 nan 0.000 0.436 250 L N 0.177 121.284 121.223 -0.193 0.000 2.083 250 L HA -0.035 4.309 4.340 0.008 0.000 0.209 250 L C 0.449 177.162 176.870 -0.261 0.000 1.083 250 L CA 0.907 55.633 54.840 -0.190 0.000 0.752 250 L CB -0.003 41.940 42.059 -0.193 0.000 0.899 250 L HN 0.284 nan 8.230 nan 0.000 0.433 251 V N 0.929 120.594 119.914 -0.416 0.000 2.409 251 V HA 0.457 4.582 4.120 0.008 0.000 0.291 251 V C -0.168 175.368 176.094 -0.929 0.000 1.020 251 V CA -0.648 61.224 62.300 -0.712 0.000 0.848 251 V CB 1.516 32.741 31.823 -0.997 0.000 0.990 251 V HN 0.194 nan 8.190 nan 0.000 0.430 252 R N 2.853 122.950 120.500 -0.671 0.000 2.740 252 R HA 0.538 4.883 4.340 0.008 0.000 0.273 252 R C -1.829 174.240 176.300 -0.384 0.000 0.998 252 R CA -0.857 54.984 56.100 -0.432 0.000 0.900 252 R CB 2.506 32.710 30.300 -0.160 0.000 1.223 252 R HN 0.544 nan 8.270 nan 0.000 0.466 253 Y N 0.260 120.557 120.300 -0.005 0.000 2.334 253 Y HA 0.448 5.003 4.550 0.008 0.000 0.328 253 Y C 0.866 176.735 175.900 -0.051 0.000 1.130 253 Y CA -0.608 57.502 58.100 0.017 0.000 1.163 253 Y CB 1.297 39.843 38.460 0.143 0.000 1.207 253 Y HN 0.699 nan 8.280 nan 0.000 0.471 254 A N 1.429 124.284 122.820 0.059 0.000 2.425 254 A HA 0.542 4.867 4.320 0.008 0.000 0.242 254 A C 0.562 177.937 177.584 -0.350 0.000 1.077 254 A CA 0.240 52.140 52.037 -0.229 0.000 0.781 254 A CB -0.262 18.481 19.000 -0.429 0.000 1.020 254 A HN 0.935 nan 8.150 nan 0.000 0.494 255 G N 0.481 109.049 108.800 -0.385 0.000 2.533 255 G HA2 0.548 4.513 3.960 0.008 0.000 0.310 255 G HA3 0.548 4.513 3.960 0.008 0.000 0.310 255 G C -1.061 173.661 174.900 -0.297 0.000 1.266 255 G CA -0.243 44.681 45.100 -0.293 0.000 0.967 255 G HN 0.553 nan 8.290 nan 0.000 0.493 256 Y N 1.642 121.954 120.300 0.020 0.000 2.334 256 Y HA 0.445 5.000 4.550 0.008 0.000 0.336 256 Y C 0.843 176.743 175.900 -0.001 0.000 0.960 256 Y CA -1.138 56.975 58.100 0.022 0.000 1.164 256 Y CB 1.645 40.117 38.460 0.021 0.000 1.155 256 Y HN 0.481 nan 8.280 nan 0.000 0.478 257 R N 2.947 123.534 120.500 0.146 0.000 2.484 257 R HA 0.067 4.412 4.340 0.008 0.000 0.293 257 R C -0.301 176.041 176.300 0.071 0.000 1.023 257 R CA 0.039 56.187 56.100 0.080 0.000 1.037 257 R CB 0.296 30.633 30.300 0.062 0.000 0.951 257 R HN 0.558 nan 8.270 nan 0.000 0.418 258 Q N 2.050 121.877 119.800 0.046 0.000 2.212 258 Q HA 0.064 4.409 4.340 0.008 0.000 0.238 258 Q C 0.460 176.469 176.000 0.016 0.000 0.955 258 Q CA -0.497 55.322 55.803 0.027 0.000 0.906 258 Q CB 1.142 29.891 28.738 0.019 0.000 1.215 258 Q HN 0.577 nan 8.270 nan 0.000 0.478 259 Q N 1.012 120.816 119.800 0.006 0.000 2.167 259 Q HA -0.120 4.225 4.340 0.008 0.000 0.202 259 Q C 0.656 176.659 176.000 0.004 0.000 0.970 259 Q CA 1.305 57.109 55.803 0.003 0.000 0.855 259 Q CB 0.150 28.886 28.738 -0.004 0.000 0.911 259 Q HN 0.676 nan 8.270 nan 0.000 0.438 260 D N -1.931 118.472 120.400 0.004 0.000 2.352 260 D HA 0.007 4.652 4.640 0.008 0.000 0.232 260 D C 1.047 177.351 176.300 0.008 0.000 1.055 260 D CA 0.879 54.881 54.000 0.004 0.000 0.891 260 D CB -0.047 40.754 40.800 0.002 0.000 0.897 260 D HN 0.334 nan 8.370 nan 0.000 0.529 261 G N 0.655 109.462 108.800 0.011 0.000 2.217 261 G HA2 -0.321 3.644 3.960 0.008 0.000 0.246 261 G HA3 -0.321 3.644 3.960 0.008 0.000 0.246 261 G C 0.553 175.462 174.900 0.014 0.000 0.990 261 G CA 0.444 45.552 45.100 0.014 0.000 0.627 261 G HN 0.730 nan 8.290 nan 0.000 0.522 262 S N -0.891 114.816 115.700 0.012 0.000 2.626 262 S HA 0.683 5.158 4.470 0.008 0.000 0.257 262 S C 0.167 174.773 174.600 0.010 0.000 1.288 262 S CA 0.095 58.300 58.200 0.009 0.000 0.980 262 S CB 2.123 65.327 63.200 0.006 0.000 0.975 262 S HN 1.110 nan 8.310 nan 0.000 0.577 263 V N 1.092 121.003 119.914 -0.005 0.000 2.540 263 V HA 0.532 4.657 4.120 0.008 0.000 0.302 263 V C 0.087 176.162 176.094 -0.031 0.000 1.035 263 V CA -0.826 61.467 62.300 -0.013 0.000 0.873 263 V CB 1.535 33.334 31.823 -0.040 0.000 0.992 263 V HN 0.931 nan 8.190 nan 0.000 0.428 264 R N 3.005 123.515 120.500 0.016 0.000 2.312 264 R HA 0.680 5.025 4.340 0.008 0.000 0.311 264 R C 0.572 176.842 176.300 -0.050 0.000 1.004 264 R CA 0.945 57.053 56.100 0.013 0.000 0.902 264 R CB 1.050 31.413 30.300 0.106 0.000 1.073 264 R HN 1.184 nan 8.270 nan 0.000 0.457 265 G N 2.879 111.560 108.800 -0.198 0.000 2.466 265 G HA2 -0.252 3.713 3.960 0.008 0.000 0.218 265 G HA3 -0.252 3.713 3.960 0.008 0.000 0.218 265 G C -1.284 173.236 174.900 -0.634 0.000 1.237 265 G CA -0.061 44.844 45.100 -0.325 0.000 0.954 265 G HN 0.662 nan 8.290 nan 0.000 0.580 266 D N 1.620 121.778 120.400 -0.403 0.000 2.380 266 D HA 0.548 5.193 4.640 0.008 0.000 0.230 266 D C -0.967 175.214 176.300 -0.198 0.000 1.154 266 D CA -1.973 51.804 54.000 -0.371 0.000 0.859 266 D CB 1.380 42.260 40.800 0.133 0.000 1.045 266 D HN -0.005 nan 8.370 nan 0.000 0.495 267 P HA -0.076 nan 4.420 nan 0.000 0.221 267 P C 0.955 178.249 177.300 -0.010 0.000 1.145 267 P CA 0.787 63.835 63.100 -0.087 0.000 0.795 267 P CB 0.220 31.881 31.700 -0.065 0.000 0.775 268 A N -0.412 122.420 122.820 0.021 0.000 2.125 268 A HA -0.147 4.178 4.320 0.008 0.000 0.219 268 A C 1.622 179.247 177.584 0.069 0.000 1.156 268 A CA 1.436 53.519 52.037 0.076 0.000 0.671 268 A CB -0.929 18.139 19.000 0.113 0.000 0.794 268 A HN 0.153 nan 8.150 nan 0.000 0.459 269 N N -0.499 118.221 118.700 0.034 0.000 2.275 269 N HA 0.164 4.909 4.740 0.008 0.000 0.236 269 N C 1.055 176.555 175.510 -0.017 0.000 1.154 269 N CA 0.187 53.247 53.050 0.018 0.000 0.866 269 N CB 0.682 39.174 38.487 0.009 0.000 1.093 269 N HN 0.202 nan 8.380 nan 0.000 0.515 270 V N 0.688 120.598 119.914 -0.006 0.000 2.343 270 V HA -0.225 3.900 4.120 0.008 0.000 0.247 270 V C 2.391 178.487 176.094 0.004 0.000 1.051 270 V CA 1.754 64.050 62.300 -0.006 0.000 1.036 270 V CB -0.282 31.549 31.823 0.014 0.000 0.654 270 V HN 0.391 nan 8.190 nan 0.000 0.451 271 E N -0.066 120.145 120.200 0.018 0.000 2.047 271 E HA -0.251 4.104 4.350 0.008 0.000 0.191 271 E C 2.159 178.703 176.600 -0.094 0.000 0.987 271 E CA 1.601 57.998 56.400 -0.005 0.000 0.799 271 E CB -0.176 29.566 29.700 0.070 0.000 0.752 271 E HN 0.463 nan 8.360 nan 0.000 0.449 272 I N 0.964 121.487 120.570 -0.079 0.000 2.361 272 I HA -0.208 3.967 4.170 0.008 0.000 0.251 272 I C 2.019 178.075 176.117 -0.101 0.000 1.133 272 I CA 1.544 62.761 61.300 -0.138 0.000 1.413 272 I CB -0.410 37.556 38.000 -0.057 0.000 1.073 272 I HN 0.109 nan 8.210 nan 0.000 0.424 273 T N 0.051 114.572 114.554 -0.055 0.000 2.746 273 T HA -0.177 4.178 4.350 0.008 0.000 0.267 273 T C 1.776 176.539 174.700 0.105 0.000 1.039 273 T CA 1.793 63.900 62.100 0.011 0.000 1.142 273 T CB -0.240 68.617 68.868 -0.020 0.000 0.866 273 T HN 0.438 nan 8.240 nan 0.000 0.444 274 E N 0.468 120.700 120.200 0.054 0.000 2.152 274 E HA 0.034 4.389 4.350 0.008 0.000 0.192 274 E C 2.130 178.754 176.600 0.040 0.000 0.983 274 E CA 0.526 56.965 56.400 0.066 0.000 0.818 274 E CB -0.188 29.535 29.700 0.038 0.000 0.758 274 E HN 0.399 nan 8.360 nan 0.000 0.467 275 L N 0.057 121.260 121.223 -0.034 0.000 2.093 275 L HA -0.213 4.132 4.340 0.008 0.000 0.208 275 L C 2.437 179.361 176.870 0.090 0.000 1.085 275 L CA 0.627 55.463 54.840 -0.006 0.000 0.755 275 L CB -0.325 41.623 42.059 -0.185 0.000 0.904 275 L HN 0.324 nan 8.230 nan 0.000 0.435 276 C N 0.010 119.340 119.300 0.050 0.000 2.432 276 C HA -0.164 4.301 4.460 0.008 0.000 0.277 276 C C 2.724 177.875 174.990 0.268 0.000 1.249 276 C CA 0.536 59.605 59.018 0.085 0.000 1.725 276 C CB -0.630 27.073 27.740 -0.062 0.000 2.028 276 C HN 0.420 nan 8.230 nan 0.000 0.477 277 I N 0.629 121.389 120.570 0.318 0.000 2.127 277 I HA -0.312 3.863 4.170 0.008 0.000 0.241 277 I C 2.640 178.820 176.117 0.106 0.000 1.075 277 I CA 1.731 63.168 61.300 0.228 0.000 1.334 277 I CB -0.669 37.437 38.000 0.177 0.000 1.040 277 I HN 0.469 nan 8.210 nan 0.000 0.405 278 Q N -0.486 119.354 119.800 0.067 0.000 2.297 278 Q HA -0.233 4.112 4.340 0.008 0.000 0.208 278 Q C 1.306 177.217 176.000 -0.148 0.000 0.981 278 Q CA 1.359 57.141 55.803 -0.035 0.000 0.876 278 Q CB -0.199 28.512 28.738 -0.045 0.000 0.921 278 Q HN 0.627 nan 8.270 nan 0.000 0.446 279 H N -1.951 117.103 119.070 -0.027 0.000 2.549 279 H HA 0.219 4.780 4.556 0.008 0.000 0.279 279 H C 0.767 176.064 175.328 -0.053 0.000 1.018 279 H CA 0.516 56.520 56.048 -0.073 0.000 1.175 279 H CB 1.040 30.712 29.762 -0.151 0.000 1.485 279 H HN 0.369 nan 8.280 nan 0.000 0.543 280 G N -0.528 108.312 108.800 0.066 0.000 2.205 280 G HA2 -0.234 3.731 3.960 0.008 0.000 0.180 280 G HA3 -0.234 3.731 3.960 0.008 0.000 0.180 280 G C -0.180 174.781 174.900 0.102 0.000 1.004 280 G CA -0.327 44.796 45.100 0.039 0.000 0.670 280 G HN 0.278 nan 8.290 nan 0.000 0.496 281 W N 2.732 124.008 121.300 -0.040 0.000 2.190 281 W HA 0.647 5.312 4.660 0.009 0.000 0.330 281 W C 0.108 176.619 176.519 -0.014 0.000 1.299 281 W CA 0.430 57.756 57.345 -0.031 0.000 1.215 281 W CB 0.930 30.382 29.460 -0.015 0.000 1.147 281 W HN 0.006 nan 8.180 nan 0.000 0.563 282 T N 9.250 123.463 114.554 -0.567 0.000 2.738 282 T HA 0.239 4.593 4.350 0.008 0.000 0.298 282 T C -2.158 171.793 174.700 -1.249 0.000 0.962 282 T CA -0.994 60.714 62.100 -0.654 0.000 0.972 282 T CB 0.616 69.267 68.868 -0.361 0.000 0.928 282 T HN 0.216 nan 8.240 nan 0.000 0.474 283 P HA 0.299 nan 4.420 nan 0.000 0.275 283 P C 0.465 177.372 177.300 -0.655 0.000 1.228 283 P CA -0.283 62.117 63.100 -1.167 0.000 0.786 283 P CB 0.903 32.313 31.700 -0.482 0.000 0.927 284 G N 1.432 109.991 108.800 -0.402 0.000 2.494 284 G HA2 0.258 4.223 3.960 0.008 0.000 0.270 284 G HA3 0.258 4.223 3.960 0.008 0.000 0.270 284 G C 0.001 174.600 174.900 -0.502 0.000 1.423 284 G CA -0.695 44.279 45.100 -0.210 0.000 1.055 284 G HN 0.787 nan 8.290 nan 0.000 0.536 285 N N -1.716 116.808 118.700 -0.293 0.000 2.527 285 N HA 0.284 5.029 4.740 0.008 0.000 0.279 285 N C 0.299 175.800 175.510 -0.015 0.000 1.571 285 N CA -0.406 52.380 53.050 -0.439 0.000 0.858 285 N CB 0.652 38.904 38.487 -0.392 0.000 1.422 285 N HN 0.679 nan 8.380 nan 0.000 0.491 286 G N 0.246 109.155 108.800 0.182 0.000 2.557 286 G HA2 0.256 4.221 3.960 0.008 0.000 0.302 286 G HA3 0.256 4.221 3.960 0.008 0.000 0.302 286 G C 0.380 175.392 174.900 0.186 0.000 1.311 286 G CA -0.683 44.521 45.100 0.174 0.000 1.030 286 G HN 0.149 nan 8.290 nan 0.000 0.509 287 R N -1.392 119.137 120.500 0.049 0.000 2.210 287 R HA 0.141 4.486 4.340 0.008 0.000 0.203 287 R C -0.114 175.845 176.300 -0.567 0.000 1.010 287 R CA 0.594 56.549 56.100 -0.242 0.000 1.008 287 R CB 0.029 30.132 30.300 -0.328 0.000 0.923 287 R HN 0.425 nan 8.270 nan 0.000 0.469 288 F N 0.458 120.391 119.950 -0.028 0.000 2.576 288 F HA 0.238 4.770 4.527 0.008 0.000 0.365 288 F C -0.924 174.893 175.800 0.028 0.000 1.506 288 F CA -1.036 56.725 58.000 -0.398 0.000 1.113 288 F CB 0.796 39.372 39.000 -0.706 0.000 1.293 288 F HN -0.312 nan 8.300 nan 0.000 0.540 289 D N 1.750 122.354 120.400 0.340 0.000 2.316 289 D HA 0.219 4.864 4.640 0.008 0.000 0.245 289 D C 0.165 176.707 176.300 0.404 0.000 1.171 289 D CA 0.147 54.388 54.000 0.402 0.000 0.856 289 D CB 2.086 43.174 40.800 0.480 0.000 1.090 289 D HN -0.050 nan 8.370 nan 0.000 0.476 290 V N 3.855 123.962 119.914 0.322 0.000 2.585 290 V HA 0.017 4.142 4.120 0.008 0.000 0.296 290 V C 1.060 177.125 176.094 -0.048 0.000 1.035 290 V CA -0.336 62.019 62.300 0.090 0.000 1.084 290 V CB 0.392 32.224 31.823 0.015 0.000 0.953 290 V HN 0.360 nan 8.190 nan 0.000 0.483 291 L N 7.907 128.999 121.223 -0.218 0.000 2.452 291 L HA 0.329 4.674 4.340 0.008 0.000 0.267 291 L C -1.648 174.944 176.870 -0.464 0.000 1.188 291 L CA -1.303 53.252 54.840 -0.475 0.000 0.821 291 L CB 0.952 42.778 42.059 -0.388 0.000 1.102 291 L HN 0.503 nan 8.230 nan 0.000 0.470 292 P HA 0.236 nan 4.420 nan 0.000 0.278 292 P C -1.156 175.976 177.300 -0.282 0.000 1.266 292 P CA -0.541 62.299 63.100 -0.432 0.000 0.807 292 P CB 1.000 32.346 31.700 -0.590 0.000 1.094 293 L N 0.828 121.979 121.223 -0.121 0.000 2.334 293 L HA 0.391 4.736 4.340 0.008 0.000 0.277 293 L C 0.470 177.299 176.870 -0.069 0.000 1.075 293 L CA -0.786 54.024 54.840 -0.050 0.000 0.804 293 L CB 0.489 42.593 42.059 0.076 0.000 1.174 293 L HN 0.219 nan 8.230 nan 0.000 0.438 294 L N 5.013 126.173 121.223 -0.105 0.000 2.277 294 L HA 0.478 4.823 4.340 0.008 0.000 0.284 294 L C -0.679 176.073 176.870 -0.197 0.000 1.028 294 L CA -0.171 54.518 54.840 -0.251 0.000 0.835 294 L CB 0.964 42.759 42.059 -0.440 0.000 1.215 294 L HN 0.439 nan 8.230 nan 0.000 0.425 295 L N 4.177 125.318 121.223 -0.136 0.000 2.341 295 L HA 0.534 4.879 4.340 0.008 0.000 0.278 295 L C -0.466 176.337 176.870 -0.113 0.000 1.005 295 L CA -0.461 54.343 54.840 -0.059 0.000 0.818 295 L CB 2.036 44.094 42.059 -0.001 0.000 1.259 295 L HN 0.550 nan 8.230 nan 0.000 0.418 296 Q N 2.384 122.145 119.800 -0.065 0.000 2.325 296 Q HA 0.703 5.048 4.340 0.008 0.000 0.270 296 Q C -1.071 174.864 176.000 -0.107 0.000 1.020 296 Q CA -0.510 55.258 55.803 -0.059 0.000 0.785 296 Q CB 2.224 31.038 28.738 0.126 0.000 1.259 296 Q HN 0.792 nan 8.270 nan 0.000 0.452 297 A N 4.894 127.595 122.820 -0.199 0.000 2.279 297 A HA 0.701 5.026 4.320 0.008 0.000 0.303 297 A C -2.462 174.852 177.584 -0.449 0.000 1.108 297 A CA -1.710 50.039 52.037 -0.479 0.000 0.830 297 A CB 0.288 19.112 19.000 -0.293 0.000 1.106 297 A HN 0.607 nan 8.150 nan 0.000 0.493 298 P HA 0.028 nan 4.420 nan 0.000 0.261 298 P C -0.633 176.567 177.300 -0.166 0.000 1.173 298 P CA 0.699 63.595 63.100 -0.340 0.000 0.760 298 P CB 0.123 31.634 31.700 -0.316 0.000 0.783 299 D N 0.105 120.453 120.400 -0.087 0.000 2.811 299 D HA -0.202 4.442 4.640 0.008 0.000 0.231 299 D C -0.243 176.041 176.300 -0.027 0.000 1.157 299 D CA 1.262 55.242 54.000 -0.034 0.000 0.716 299 D CB -0.723 40.062 40.800 -0.025 0.000 1.077 299 D HN 0.582 nan 8.370 nan 0.000 0.428 300 E N -0.582 119.595 120.200 -0.038 0.000 2.299 300 E HA 0.666 5.021 4.350 0.008 0.000 0.265 300 E C -0.109 176.485 176.600 -0.011 0.000 0.911 300 E CA -0.899 55.483 56.400 -0.029 0.000 0.789 300 E CB 1.605 31.272 29.700 -0.054 0.000 1.246 300 E HN 0.153 nan 8.360 nan 0.000 0.427 301 A N 2.499 125.312 122.820 -0.012 0.000 2.386 301 A HA 0.333 4.658 4.320 0.008 0.000 0.248 301 A C -2.116 175.378 177.584 -0.149 0.000 1.082 301 A CA -1.071 50.952 52.037 -0.024 0.000 0.789 301 A CB -0.387 18.624 19.000 0.019 0.000 1.025 301 A HN 0.331 nan 8.150 nan 0.000 0.490 302 P HA 0.153 nan 4.420 nan 0.000 0.268 302 P C -0.663 176.379 177.300 -0.430 0.000 1.205 302 P CA 0.319 63.053 63.100 -0.611 0.000 0.771 302 P CB 0.576 31.375 31.700 -1.502 0.000 0.858 303 E N 1.076 121.105 120.200 -0.285 0.000 2.207 303 E HA 0.494 4.849 4.350 0.008 0.000 0.270 303 E C -0.759 175.629 176.600 -0.353 0.000 0.927 303 E CA -1.073 55.161 56.400 -0.277 0.000 0.799 303 E CB 1.638 31.221 29.700 -0.195 0.000 1.172 303 E HN 0.304 nan 8.360 nan 0.000 0.404 304 L N 2.811 123.722 121.223 -0.520 0.000 2.282 304 L HA 0.465 4.810 4.340 0.008 0.000 0.288 304 L C -1.647 174.762 176.870 -0.767 0.000 1.033 304 L CA -0.120 54.451 54.840 -0.448 0.000 0.807 304 L CB 0.257 42.154 42.059 -0.269 0.000 1.209 304 L HN 0.407 nan 8.230 nan 0.000 0.423 305 F N 4.111 123.845 119.950 -0.360 0.000 2.529 305 F HA 0.491 5.023 4.527 0.009 0.000 0.320 305 F C -0.275 175.298 175.800 -0.378 0.000 1.118 305 F CA -0.925 56.727 58.000 -0.579 0.000 0.915 305 F CB 1.827 40.096 39.000 -1.218 0.000 1.161 305 F HN -0.006 nan 8.300 nan 0.000 0.445 306 V N 4.723 124.562 119.914 -0.125 0.000 2.406 306 V HA 0.247 4.372 4.120 0.008 0.000 0.272 306 V C 0.214 176.412 176.094 0.174 0.000 1.043 306 V CA -0.723 61.587 62.300 0.017 0.000 0.915 306 V CB 1.126 32.988 31.823 0.066 0.000 0.988 306 V HN 0.541 nan 8.190 nan 0.000 0.466 307 L N 7.944 129.289 121.223 0.202 0.000 2.455 307 L HA 0.232 4.577 4.340 0.008 0.000 0.272 307 L C -2.024 174.951 176.870 0.175 0.000 1.174 307 L CA -1.390 53.602 54.840 0.253 0.000 0.869 307 L CB 0.271 42.402 42.059 0.120 0.000 1.130 307 L HN 0.444 nan 8.230 nan 0.000 0.474 308 P HA 0.076 nan 4.420 nan 0.000 0.267 308 P C -2.074 175.273 177.300 0.079 0.000 1.205 308 P CA -1.095 62.075 63.100 0.117 0.000 0.765 308 P CB 0.297 32.057 31.700 0.100 0.000 0.828 309 P HA -0.204 nan 4.420 nan 0.000 0.217 309 P C 1.244 178.572 177.300 0.047 0.000 1.148 309 P CA 1.326 64.464 63.100 0.063 0.000 0.828 309 P CB -0.175 31.567 31.700 0.069 0.000 0.783 310 E N -0.061 120.163 120.200 0.041 0.000 2.478 310 E HA -0.089 4.266 4.350 0.008 0.000 0.198 310 E C 1.500 178.113 176.600 0.022 0.000 1.046 310 E CA 0.766 57.183 56.400 0.029 0.000 0.870 310 E CB -0.849 28.866 29.700 0.025 0.000 0.818 310 E HN 0.327 nan 8.360 nan 0.000 0.527 311 L N 0.950 122.186 121.223 0.022 0.000 2.529 311 L HA 0.149 4.494 4.340 0.008 0.000 0.223 311 L C 0.491 177.369 176.870 0.013 0.000 1.113 311 L CA 0.011 54.858 54.840 0.010 0.000 0.861 311 L CB 0.615 42.670 42.059 -0.006 0.000 1.012 311 L HN -0.094 nan 8.230 nan 0.000 0.461 312 V N 2.087 122.012 119.914 0.019 0.000 2.294 312 V HA 0.185 4.310 4.120 0.008 0.000 0.272 312 V C -0.040 176.075 176.094 0.036 0.000 1.027 312 V CA -0.537 61.772 62.300 0.015 0.000 0.823 312 V CB 1.537 33.358 31.823 -0.004 0.000 1.030 312 V HN 0.033 nan 8.190 nan 0.000 0.457 313 L N 5.712 126.963 121.223 0.047 0.000 2.331 313 L HA 0.485 4.830 4.340 0.008 0.000 0.278 313 L C 0.148 177.051 176.870 0.055 0.000 1.106 313 L CA 0.717 55.580 54.840 0.037 0.000 0.824 313 L CB 0.554 42.631 42.059 0.030 0.000 1.142 313 L HN 0.660 nan 8.230 nan 0.000 0.443 314 E N 3.220 123.431 120.200 0.019 0.000 2.336 314 E HA 0.607 4.961 4.350 0.008 0.000 0.267 314 E C -1.474 175.067 176.600 -0.099 0.000 0.906 314 E CA -1.026 55.383 56.400 0.014 0.000 0.781 314 E CB 2.485 32.224 29.700 0.065 0.000 1.261 314 E HN 0.361 nan 8.360 nan 0.000 0.436 315 V N 2.804 122.624 119.914 -0.157 0.000 2.376 315 V HA 0.305 4.429 4.120 0.008 0.000 0.287 315 V C -2.448 173.578 176.094 -0.115 0.000 1.015 315 V CA -2.043 60.102 62.300 -0.258 0.000 0.834 315 V CB 1.262 32.671 31.823 -0.689 0.000 1.001 315 V HN 0.526 nan 8.190 nan 0.000 0.428 316 P HA 0.277 nan 4.420 nan 0.000 0.276 316 P C -0.605 176.704 177.300 0.015 0.000 1.230 316 P CA -0.145 62.926 63.100 -0.049 0.000 0.776 316 P CB 0.610 32.289 31.700 -0.035 0.000 0.888 317 L N 3.566 124.833 121.223 0.073 0.000 2.276 317 L HA 0.408 4.753 4.340 0.008 0.000 0.286 317 L C 1.075 178.119 176.870 0.290 0.000 1.061 317 L CA -0.172 54.788 54.840 0.200 0.000 0.807 317 L CB 0.564 42.805 42.059 0.305 0.000 1.177 317 L HN 0.513 nan 8.230 nan 0.000 0.429 318 E N 2.034 122.384 120.200 0.250 0.000 2.410 318 E HA 0.443 4.798 4.350 0.008 0.000 0.269 318 E C -1.229 175.428 176.600 0.095 0.000 0.937 318 E CA -0.930 55.630 56.400 0.267 0.000 0.793 318 E CB 2.293 32.112 29.700 0.198 0.000 1.314 318 E HN 0.451 nan 8.360 nan 0.000 0.447 319 H N 0.835 119.791 119.070 -0.190 0.000 2.529 319 H HA 0.245 4.807 4.556 0.008 0.000 0.348 319 H C -1.833 173.156 175.328 -0.565 0.000 1.152 319 H CA -2.399 53.355 56.048 -0.491 0.000 1.202 319 H CB 2.078 31.433 29.762 -0.678 0.000 1.562 319 H HN 0.412 nan 8.280 nan 0.000 0.515 320 P HA -0.107 nan 4.420 nan 0.000 0.220 320 P C 0.911 178.034 177.300 -0.295 0.000 1.148 320 P CA 1.670 64.245 63.100 -0.876 0.000 0.803 320 P CB 0.452 31.664 31.700 -0.814 0.000 0.782 321 T N -4.808 109.728 114.554 -0.031 0.000 2.980 321 T HA 0.203 4.558 4.350 0.008 0.000 0.252 321 T C 0.812 175.474 174.700 -0.063 0.000 0.962 321 T CA -0.204 61.887 62.100 -0.015 0.000 0.932 321 T CB -0.554 68.317 68.868 0.005 0.000 1.188 321 T HN -0.070 nan 8.240 nan 0.000 0.500 322 L N 2.969 124.104 121.223 -0.147 0.000 2.356 322 L HA 0.369 4.714 4.340 0.008 0.000 0.282 322 L C 1.338 177.866 176.870 -0.570 0.000 1.132 322 L CA -0.376 54.102 54.840 -0.604 0.000 0.923 322 L CB 0.531 41.832 42.059 -1.264 0.000 1.278 322 L HN 0.274 nan 8.230 nan 0.000 0.436 323 E N 3.424 123.439 120.200 -0.309 0.000 2.118 323 E HA -0.215 4.140 4.350 0.008 0.000 0.195 323 E C 1.646 178.212 176.600 -0.056 0.000 0.992 323 E CA 1.575 57.906 56.400 -0.115 0.000 0.804 323 E CB -0.015 29.687 29.700 0.002 0.000 0.741 323 E HN 0.828 nan 8.360 nan 0.000 0.458 324 W N 0.199 121.546 121.300 0.078 0.000 2.525 324 W HA -0.058 4.607 4.660 0.009 0.000 0.259 324 W C 1.590 178.163 176.519 0.089 0.000 1.253 324 W CA -0.127 57.256 57.345 0.062 0.000 1.262 324 W CB -0.965 28.512 29.460 0.027 0.000 1.122 324 W HN -0.065 nan 8.180 nan 0.000 0.607 325 F N 2.931 122.659 119.950 -0.370 0.000 2.126 325 F HA -0.151 4.381 4.527 0.008 0.000 0.299 325 F C 2.731 178.561 175.800 0.050 0.000 1.096 325 F CA 3.035 60.936 58.000 -0.165 0.000 1.255 325 F CB -0.567 38.185 39.000 -0.413 0.000 0.997 325 F HN -0.078 nan 8.300 nan 0.000 0.479 326 A N 0.106 123.062 122.820 0.227 0.000 1.978 326 A HA -0.142 4.183 4.320 0.008 0.000 0.220 326 A C 2.284 179.924 177.584 0.095 0.000 1.170 326 A CA 1.599 53.735 52.037 0.164 0.000 0.636 326 A CB -1.465 17.612 19.000 0.128 0.000 0.810 326 A HN 0.454 nan 8.150 nan 0.000 0.448 327 A N -1.013 121.874 122.820 0.112 0.000 2.172 327 A HA 0.097 4.422 4.320 0.008 0.000 0.216 327 A C 1.714 179.333 177.584 0.058 0.000 1.154 327 A CA 1.177 53.270 52.037 0.092 0.000 0.701 327 A CB -0.358 18.717 19.000 0.125 0.000 0.789 327 A HN 0.367 nan 8.150 nan 0.000 0.465 328 L N -1.110 120.118 121.223 0.010 0.000 2.376 328 L HA 0.094 4.439 4.340 0.008 0.000 0.219 328 L C 1.904 178.780 176.870 0.009 0.000 1.133 328 L CA 1.295 56.117 54.840 -0.030 0.000 0.816 328 L CB -1.447 40.504 42.059 -0.180 0.000 0.933 328 L HN 0.676 nan 8.230 nan 0.000 0.449 329 G N -0.505 108.300 108.800 0.008 0.000 2.147 329 G HA2 -0.277 3.688 3.960 0.008 0.000 0.244 329 G HA3 -0.277 3.688 3.960 0.008 0.000 0.244 329 G C 0.334 175.216 174.900 -0.030 0.000 1.005 329 G CA 0.283 45.395 45.100 0.020 0.000 0.713 329 G HN 0.316 nan 8.290 nan 0.000 0.515 330 L N 0.123 121.304 121.223 -0.070 0.000 2.418 330 L HA 0.764 5.109 4.340 0.008 0.000 0.265 330 L C 1.157 177.815 176.870 -0.353 0.000 1.143 330 L CA -0.621 54.099 54.840 -0.201 0.000 0.809 330 L CB 0.804 42.852 42.059 -0.018 0.000 1.124 330 L HN 0.521 nan 8.230 nan 0.000 0.456 331 R N 1.333 121.394 120.500 -0.732 0.000 2.752 331 R HA 0.514 4.859 4.340 0.008 0.000 0.271 331 R C -1.980 174.253 176.300 -0.112 0.000 1.026 331 R CA -0.969 54.896 56.100 -0.392 0.000 0.901 331 R CB 2.007 32.039 30.300 -0.448 0.000 1.243 331 R HN 0.657 nan 8.270 nan 0.000 0.463 332 W N 1.334 122.575 121.300 -0.099 0.000 3.118 332 W HA 0.373 5.038 4.660 0.008 0.000 0.328 332 W C -1.150 175.451 176.519 0.137 0.000 1.239 332 W CA -1.025 56.348 57.345 0.047 0.000 1.176 332 W CB 2.089 31.505 29.460 -0.072 0.000 1.433 332 W HN 0.675 nan 8.180 nan 0.000 0.562 333 Y N 0.938 121.153 120.300 -0.141 0.000 2.301 333 Y HA 0.544 5.099 4.550 0.008 0.000 0.328 333 Y C 0.805 176.932 175.900 0.378 0.000 1.242 333 Y CA 0.012 58.120 58.100 0.013 0.000 1.323 333 Y CB 0.249 38.578 38.460 -0.217 0.000 1.266 333 Y HN 0.366 nan 8.280 nan 0.000 0.527 334 A N 2.335 125.417 122.820 0.438 0.000 1.968 334 A HA 0.027 4.351 4.320 0.008 0.000 0.217 334 A C 0.521 178.467 177.584 0.604 0.000 1.169 334 A CA 0.666 53.007 52.037 0.507 0.000 0.638 334 A CB -0.358 18.790 19.000 0.246 0.000 0.812 334 A HN 0.687 nan 8.150 nan 0.000 0.446 335 L N 1.657 123.203 121.223 0.538 0.000 2.295 335 L HA 0.447 4.792 4.340 0.008 0.000 0.281 335 L C -2.665 174.395 176.870 0.316 0.000 1.018 335 L CA -2.349 52.697 54.840 0.343 0.000 0.841 335 L CB 1.757 43.940 42.059 0.206 0.000 1.218 335 L HN -0.057 nan 8.230 nan 0.000 0.424 336 P HA 0.363 nan 4.420 nan 0.000 0.287 336 P C -1.400 175.825 177.300 -0.125 0.000 1.307 336 P CA -0.310 62.697 63.100 -0.155 0.000 0.777 336 P CB 1.406 32.626 31.700 -0.800 0.000 0.883 337 A N 4.292 127.039 122.820 -0.122 0.000 2.651 337 A HA 0.392 4.717 4.320 0.008 0.000 0.290 337 A C -0.413 176.959 177.584 -0.354 0.000 1.185 337 A CA -0.621 51.273 52.037 -0.238 0.000 0.746 337 A CB 0.723 19.606 19.000 -0.195 0.000 1.213 337 A HN 0.282 nan 8.150 nan 0.000 0.429 338 V N 2.820 122.365 119.914 -0.616 0.000 2.521 338 V HA 0.232 4.357 4.120 0.008 0.000 0.286 338 V C 1.270 176.956 176.094 -0.679 0.000 1.034 338 V CA 1.230 63.115 62.300 -0.690 0.000 1.045 338 V CB 1.010 32.211 31.823 -1.036 0.000 0.974 338 V HN 1.085 nan 8.190 nan 0.000 0.480 339 S N 1.906 117.412 115.700 -0.324 0.000 2.666 339 S HA 0.060 4.535 4.470 0.008 0.000 0.239 339 S C 0.755 175.329 174.600 -0.044 0.000 1.031 339 S CA 0.075 58.170 58.200 -0.174 0.000 1.015 339 S CB -0.348 62.787 63.200 -0.108 0.000 0.981 339 S HN 0.918 nan 8.310 nan 0.000 0.547 340 N N 0.368 119.052 118.700 -0.027 0.000 2.200 340 N HA 0.325 5.069 4.740 0.008 0.000 0.224 340 N C 0.032 175.595 175.510 0.090 0.000 1.179 340 N CA -0.502 52.577 53.050 0.049 0.000 0.877 340 N CB 0.145 38.664 38.487 0.054 0.000 1.072 340 N HN 0.247 nan 8.380 nan 0.000 0.519 341 M N 1.214 120.882 119.600 0.113 0.000 2.359 341 M HA 0.290 4.775 4.480 0.008 0.000 0.322 341 M C -0.416 176.029 176.300 0.241 0.000 1.166 341 M CA -0.811 54.609 55.300 0.200 0.000 1.067 341 M CB 2.126 34.885 32.600 0.266 0.000 1.523 341 M HN 0.139 nan 8.290 nan 0.000 0.467 342 L N 2.713 124.063 121.223 0.211 0.000 2.292 342 L HA 0.461 4.806 4.340 0.008 0.000 0.284 342 L C -1.164 175.837 176.870 0.218 0.000 1.065 342 L CA -0.773 54.179 54.840 0.187 0.000 0.806 342 L CB 0.951 43.069 42.059 0.099 0.000 1.175 342 L HN 0.572 nan 8.230 nan 0.000 0.431 343 L N 5.435 126.787 121.223 0.214 0.000 2.272 343 L HA 0.469 4.814 4.340 0.008 0.000 0.289 343 L C -0.593 176.306 176.870 0.047 0.000 1.032 343 L CA 0.237 55.102 54.840 0.041 0.000 0.810 343 L CB 1.134 43.218 42.059 0.043 0.000 1.205 343 L HN 0.637 nan 8.230 nan 0.000 0.422 344 E N 6.558 126.698 120.200 -0.101 0.000 2.176 344 E HA 0.425 4.780 4.350 0.008 0.000 0.267 344 E C -1.657 174.857 176.600 -0.145 0.000 0.893 344 E CA -0.477 55.879 56.400 -0.073 0.000 0.761 344 E CB 1.269 30.922 29.700 -0.079 0.000 1.133 344 E HN 0.743 nan 8.360 nan 0.000 0.409 345 I N 2.561 123.050 120.570 -0.135 0.000 2.512 345 I HA 0.280 4.455 4.170 0.008 0.000 0.287 345 I C 0.832 176.723 176.117 -0.377 0.000 1.069 345 I CA -0.666 60.419 61.300 -0.358 0.000 1.056 345 I CB 2.039 39.763 38.000 -0.460 0.000 1.229 345 I HN 0.790 nan 8.210 nan 0.000 0.429 346 G N 4.146 112.770 108.800 -0.294 0.000 2.321 346 G HA2 -0.126 3.838 3.960 0.008 0.000 0.287 346 G HA3 -0.126 3.838 3.960 0.008 0.000 0.287 346 G C 1.033 176.004 174.900 0.119 0.000 1.018 346 G CA 0.826 45.954 45.100 0.046 0.000 0.855 346 G HN 1.592 nan 8.290 nan 0.000 0.507 347 G N -2.062 106.748 108.800 0.017 0.000 2.217 347 G HA2 -0.226 3.738 3.960 0.008 0.000 0.246 347 G HA3 -0.226 3.738 3.960 0.008 0.000 0.246 347 G C 0.495 175.351 174.900 -0.074 0.000 0.990 347 G CA 0.411 45.522 45.100 0.018 0.000 0.627 347 G HN 1.262 nan 8.290 nan 0.000 0.522 348 L N 0.869 121.988 121.223 -0.173 0.000 2.395 348 L HA 0.580 4.925 4.340 0.008 0.000 0.269 348 L C 0.271 176.915 176.870 -0.378 0.000 1.133 348 L CA -0.345 54.273 54.840 -0.370 0.000 0.812 348 L CB 1.055 42.778 42.059 -0.560 0.000 1.125 348 L HN 0.173 nan 8.230 nan 0.000 0.452 349 E N 2.789 122.695 120.200 -0.490 0.000 2.182 349 E HA 0.302 4.657 4.350 0.008 0.000 0.258 349 E C -1.438 174.890 176.600 -0.454 0.000 0.879 349 E CA -0.375 55.833 56.400 -0.321 0.000 0.754 349 E CB 1.379 30.977 29.700 -0.170 0.000 1.162 349 E HN 0.287 nan 8.360 nan 0.000 0.419 350 F N 2.203 122.123 119.950 -0.050 0.000 2.406 350 F HA 0.066 4.599 4.527 0.010 0.000 0.358 350 F C 1.691 177.528 175.800 0.061 0.000 1.161 350 F CA -0.394 57.604 58.000 -0.003 0.000 1.185 350 F CB 0.687 39.670 39.000 -0.028 0.000 1.421 350 F HN 0.412 nan 8.300 nan 0.000 0.576 351 S N 1.207 117.002 115.700 0.158 0.000 2.474 351 S HA 0.137 4.612 4.470 0.008 0.000 0.235 351 S C 0.859 175.587 174.600 0.213 0.000 0.997 351 S CA 0.324 58.618 58.200 0.157 0.000 0.949 351 S CB -0.010 63.259 63.200 0.115 0.000 0.766 351 S HN 0.474 nan 8.310 nan 0.000 0.517 352 A N 0.494 123.485 122.820 0.285 0.000 2.340 352 A HA 0.839 5.164 4.320 0.008 0.000 0.297 352 A C -0.151 177.677 177.584 0.408 0.000 1.195 352 A CA -0.219 52.015 52.037 0.329 0.000 0.769 352 A CB 1.052 20.236 19.000 0.307 0.000 1.163 352 A HN 1.068 nan 8.150 nan 0.000 0.472 353 A N 4.159 127.173 122.820 0.323 0.000 3.330 353 A HA 0.591 4.916 4.320 0.008 0.000 0.256 353 A C -3.118 174.616 177.584 0.251 0.000 1.185 353 A CA -0.771 51.418 52.037 0.254 0.000 0.940 353 A CB 0.323 19.465 19.000 0.236 0.000 1.397 353 A HN 0.513 nan 8.150 nan 0.000 0.678 354 P HA 0.461 nan 4.420 nan 0.000 0.268 354 P C -0.719 176.609 177.300 0.046 0.000 1.204 354 P CA 0.399 63.472 63.100 -0.044 0.000 0.768 354 P CB 0.291 31.917 31.700 -0.123 0.000 0.842 355 F N -0.353 119.543 119.950 -0.089 0.000 2.588 355 F HA 0.777 5.309 4.527 0.007 0.000 0.314 355 F C -0.658 175.064 175.800 -0.129 0.000 1.069 355 F CA -1.227 56.726 58.000 -0.078 0.000 0.931 355 F CB 1.673 40.508 39.000 -0.274 0.000 1.260 355 F HN 0.393 nan 8.300 nan 0.000 0.465 356 S N 0.422 116.214 115.700 0.153 0.000 2.541 356 S HA 0.920 5.395 4.470 0.008 0.000 0.271 356 S C -0.740 173.822 174.600 -0.063 0.000 1.133 356 S CA -0.139 58.083 58.200 0.037 0.000 0.876 356 S CB 1.461 64.767 63.200 0.175 0.000 1.105 356 S HN 1.439 nan 8.310 nan 0.000 0.470 357 G N 0.366 109.076 108.800 -0.149 0.000 3.364 357 G HA2 0.762 4.727 3.960 0.008 0.000 0.191 357 G HA3 0.762 4.727 3.960 0.008 0.000 0.191 357 G C -1.283 173.619 174.900 0.003 0.000 1.352 357 G CA -0.328 44.609 45.100 -0.272 0.000 0.758 357 G HN 1.140 nan 8.290 nan 0.000 0.730 358 W N -1.885 119.411 121.300 -0.006 0.000 3.075 358 W HA 0.787 5.451 4.660 0.006 0.000 0.334 358 W C -1.873 174.636 176.519 -0.017 0.000 1.243 358 W CA -2.045 55.313 57.345 0.023 0.000 1.170 358 W CB 0.515 30.034 29.460 0.097 0.000 1.452 358 W HN 0.369 nan 8.180 nan 0.000 0.572 359 Y N 2.617 123.113 120.300 0.328 0.000 2.346 359 Y HA 0.303 4.859 4.550 0.009 0.000 0.330 359 Y C 0.903 176.876 175.900 0.121 0.000 1.178 359 Y CA -0.686 57.486 58.100 0.120 0.000 1.331 359 Y CB 1.278 39.719 38.460 -0.031 0.000 1.253 359 Y HN 0.437 nan 8.280 nan 0.000 0.529 360 M N 2.539 122.292 119.600 0.254 0.000 2.180 360 M HA 0.141 4.626 4.480 0.008 0.000 0.358 360 M C 1.094 177.408 176.300 0.024 0.000 1.233 360 M CA -0.046 55.336 55.300 0.137 0.000 1.114 360 M CB 0.878 33.534 32.600 0.093 0.000 1.594 360 M HN 0.854 nan 8.290 nan 0.000 0.467 361 S N 1.233 116.902 115.700 -0.051 0.000 2.419 361 S HA -0.153 4.321 4.470 0.008 0.000 0.233 361 S C 1.469 175.944 174.600 -0.207 0.000 1.016 361 S CA 1.767 59.856 58.200 -0.184 0.000 0.974 361 S CB -1.136 61.988 63.200 -0.126 0.000 0.786 361 S HN 0.914 nan 8.310 nan 0.000 0.492 362 T N -0.293 114.165 114.554 -0.159 0.000 2.915 362 T HA 0.004 4.359 4.350 0.008 0.000 0.269 362 T C 1.613 176.177 174.700 -0.226 0.000 1.071 362 T CA 1.257 63.217 62.100 -0.233 0.000 1.132 362 T CB -0.453 68.236 68.868 -0.298 0.000 0.878 362 T HN 0.466 nan 8.240 nan 0.000 0.479 363 E N 1.308 121.403 120.200 -0.175 0.000 2.077 363 E HA -0.021 4.334 4.350 0.008 0.000 0.193 363 E C 1.884 178.263 176.600 -0.369 0.000 0.989 363 E CA 1.052 57.359 56.400 -0.154 0.000 0.800 363 E CB -0.476 29.262 29.700 0.064 0.000 0.746 363 E HN 0.668 nan 8.360 nan 0.000 0.452 364 I N -0.636 119.578 120.570 -0.592 0.000 2.206 364 I HA -0.050 4.125 4.170 0.008 0.000 0.239 364 I C 2.398 178.152 176.117 -0.605 0.000 1.078 364 I CA 1.077 61.823 61.300 -0.923 0.000 1.367 364 I CB -0.573 36.769 38.000 -1.097 0.000 1.078 364 I HN 0.236 nan 8.210 nan 0.000 0.413 365 G N -0.163 108.394 108.800 -0.406 0.000 2.408 365 G HA2 -0.151 3.814 3.960 0.008 0.000 0.217 365 G HA3 -0.151 3.814 3.960 0.008 0.000 0.217 365 G C 1.622 176.407 174.900 -0.192 0.000 1.150 365 G CA 1.403 46.356 45.100 -0.246 0.000 0.776 365 G HN 0.297 nan 8.290 nan 0.000 0.542 366 T N -0.190 114.234 114.554 -0.216 0.000 3.044 366 T HA 0.111 4.466 4.350 0.008 0.000 0.237 366 T C 2.521 177.125 174.700 -0.161 0.000 1.001 366 T CA 0.175 62.172 62.100 -0.171 0.000 1.160 366 T CB 0.132 68.884 68.868 -0.194 0.000 0.889 366 T HN 0.011 nan 8.240 nan 0.000 0.442 367 R N 2.035 122.423 120.500 -0.187 0.000 2.052 367 R HA 0.187 4.532 4.340 0.008 0.000 0.226 367 R C 2.081 178.285 176.300 -0.160 0.000 1.145 367 R CA 1.009 57.018 56.100 -0.153 0.000 0.952 367 R CB -1.082 29.142 30.300 -0.128 0.000 0.847 367 R HN 0.311 nan 8.270 nan 0.000 0.431 368 N N 0.901 119.448 118.700 -0.254 0.000 2.216 368 N HA -0.034 4.711 4.740 0.008 0.000 0.183 368 N C 1.933 177.369 175.510 -0.123 0.000 1.017 368 N CA 0.891 53.797 53.050 -0.240 0.000 0.861 368 N CB -0.078 37.989 38.487 -0.700 0.000 0.986 368 N HN 0.174 nan 8.380 nan 0.000 0.428 369 L N -0.865 120.235 121.223 -0.205 0.000 2.354 369 L HA 0.094 4.439 4.340 0.008 0.000 0.212 369 L C 1.155 178.053 176.870 0.047 0.000 1.091 369 L CA 0.421 55.237 54.840 -0.041 0.000 0.828 369 L CB 0.252 42.255 42.059 -0.093 0.000 0.973 369 L HN 0.139 nan 8.230 nan 0.000 0.461 370 C N -1.555 117.736 119.300 -0.015 0.000 3.392 370 C HA 0.198 4.663 4.460 0.008 0.000 0.301 370 C C 0.627 175.614 174.990 -0.005 0.000 1.354 370 C CA -0.914 58.111 59.018 0.011 0.000 1.732 370 C CB -0.209 27.524 27.740 -0.011 0.000 2.269 370 C HN 0.277 nan 8.230 nan 0.000 0.673 371 D N 3.004 123.376 120.400 -0.047 0.000 2.472 371 D HA 0.055 4.700 4.640 0.008 0.000 0.237 371 D C -1.192 175.109 176.300 0.001 0.000 1.141 371 D CA -1.194 52.772 54.000 -0.058 0.000 0.875 371 D CB 0.744 41.395 40.800 -0.249 0.000 1.192 371 D HN 0.165 nan 8.370 nan 0.000 0.450 372 P HA -0.136 nan 4.420 nan 0.000 0.220 372 P C 0.665 178.061 177.300 0.159 0.000 1.148 372 P CA 1.250 64.432 63.100 0.137 0.000 0.803 372 P CB -0.011 31.777 31.700 0.146 0.000 0.782 373 H N -2.457 116.627 119.070 0.023 0.000 2.517 373 H HA 0.358 4.919 4.556 0.008 0.000 0.282 373 H C 0.936 176.276 175.328 0.021 0.000 1.023 373 H CA -0.291 55.768 56.048 0.018 0.000 1.169 373 H CB -0.039 29.733 29.762 0.017 0.000 1.454 373 H HN -0.056 nan 8.280 nan 0.000 0.556 374 R N -0.105 120.273 120.500 -0.205 0.000 3.006 374 R HA 0.186 4.531 4.340 0.008 0.000 0.150 374 R C 1.087 177.361 176.300 -0.044 0.000 1.285 374 R CA -0.678 55.348 56.100 -0.123 0.000 0.813 374 R CB -0.856 29.386 30.300 -0.097 0.000 1.582 374 R HN 0.094 nan 8.270 nan 0.000 0.441 375 Y N 1.629 121.937 120.300 0.013 0.000 2.421 375 Y HA -0.020 4.535 4.550 0.008 0.000 0.292 375 Y C 0.764 176.684 175.900 0.034 0.000 1.136 375 Y CA 1.226 59.350 58.100 0.039 0.000 1.255 375 Y CB -0.261 38.257 38.460 0.098 0.000 0.991 375 Y HN 0.553 nan 8.280 nan 0.000 0.552 376 N N 0.903 119.692 118.700 0.149 0.000 2.714 376 N HA -0.222 4.523 4.740 0.008 0.000 0.253 376 N C 0.506 176.097 175.510 0.135 0.000 1.024 376 N CA 0.379 53.496 53.050 0.111 0.000 0.726 376 N CB -1.042 37.494 38.487 0.081 0.000 0.908 376 N HN 0.627 nan 8.380 nan 0.000 0.542 377 I N -3.241 117.420 120.570 0.153 0.000 3.793 377 I HA 0.006 4.181 4.170 0.008 0.000 0.315 377 I C 1.718 177.931 176.117 0.160 0.000 1.275 377 I CA -0.392 60.999 61.300 0.152 0.000 1.214 377 I CB -0.030 38.063 38.000 0.157 0.000 1.018 377 I HN 0.091 nan 8.210 nan 0.000 0.439 378 L N 1.772 123.099 121.223 0.173 0.000 1.989 378 L HA -0.212 4.133 4.340 0.008 0.000 0.211 378 L C 2.606 179.683 176.870 0.346 0.000 1.071 378 L CA 2.032 57.010 54.840 0.230 0.000 0.749 378 L CB -1.104 41.062 42.059 0.179 0.000 0.890 378 L HN 0.488 nan 8.230 nan 0.000 0.431 379 E N -0.887 119.526 120.200 0.355 0.000 2.077 379 E HA -0.246 4.109 4.350 0.008 0.000 0.193 379 E C 1.718 178.358 176.600 0.066 0.000 0.989 379 E CA 1.434 57.961 56.400 0.213 0.000 0.800 379 E CB 0.074 29.838 29.700 0.106 0.000 0.746 379 E HN 0.482 nan 8.360 nan 0.000 0.452 380 D N 0.027 120.469 120.400 0.071 0.000 2.104 380 D HA -0.158 4.486 4.640 0.008 0.000 0.194 380 D C 2.059 178.366 176.300 0.011 0.000 0.994 380 D CA 1.143 55.153 54.000 0.017 0.000 0.830 380 D CB -0.314 40.505 40.800 0.032 0.000 0.959 380 D HN 0.109 nan 8.370 nan 0.000 0.452 381 V N 1.277 121.252 119.914 0.102 0.000 2.427 381 V HA -0.208 3.917 4.120 0.008 0.000 0.248 381 V C 2.493 178.673 176.094 0.144 0.000 1.051 381 V CA 1.670 64.072 62.300 0.171 0.000 1.048 381 V CB -0.763 31.245 31.823 0.307 0.000 0.666 381 V HN 0.185 nan 8.190 nan 0.000 0.456 382 A N -0.207 122.715 122.820 0.169 0.000 1.902 382 A HA -0.162 4.162 4.320 0.008 0.000 0.217 382 A C 2.407 179.978 177.584 -0.021 0.000 1.181 382 A CA 2.057 54.188 52.037 0.157 0.000 0.623 382 A CB -0.667 18.518 19.000 0.308 0.000 0.818 382 A HN 0.332 nan 8.150 nan 0.000 0.443 383 V N -0.623 119.230 119.914 -0.101 0.000 2.295 383 V HA -0.340 3.785 4.120 0.008 0.000 0.246 383 V C 2.640 178.593 176.094 -0.236 0.000 1.049 383 V CA 2.130 64.328 62.300 -0.171 0.000 1.024 383 V CB -1.082 30.640 31.823 -0.168 0.000 0.648 383 V HN 0.721 nan 8.190 nan 0.000 0.447 384 C N -0.309 118.786 119.300 -0.341 0.000 2.410 384 C HA -0.158 4.307 4.460 0.008 0.000 0.281 384 C C 2.534 177.132 174.990 -0.653 0.000 1.318 384 C CA 0.958 59.546 59.018 -0.716 0.000 1.776 384 C CB -1.191 25.745 27.740 -1.340 0.000 1.942 384 C HN 0.540 nan 8.230 nan 0.000 0.508 385 M N 0.181 119.643 119.600 -0.229 0.000 2.561 385 M HA 0.067 4.551 4.480 0.008 0.000 0.238 385 M C 0.470 176.762 176.300 -0.013 0.000 1.131 385 M CA 0.687 56.006 55.300 0.031 0.000 1.046 385 M CB -0.394 32.327 32.600 0.201 0.000 1.532 385 M HN 0.171 nan 8.290 nan 0.000 0.497 386 D N 1.510 121.851 120.400 -0.098 0.000 2.772 386 D HA -0.147 4.498 4.640 0.008 0.000 0.233 386 D C -0.874 175.403 176.300 -0.038 0.000 1.143 386 D CA 0.569 54.522 54.000 -0.078 0.000 0.700 386 D CB -0.906 39.860 40.800 -0.057 0.000 1.076 386 D HN 0.325 nan 8.370 nan 0.000 0.430 387 L N -0.275 120.932 121.223 -0.027 0.000 2.416 387 L HA 0.374 4.719 4.340 0.008 0.000 0.262 387 L C 0.949 177.774 176.870 -0.075 0.000 1.093 387 L CA -0.815 54.030 54.840 0.009 0.000 0.801 387 L CB 0.653 42.780 42.059 0.113 0.000 1.191 387 L HN -0.057 nan 8.230 nan 0.000 0.459 388 D N 0.450 120.825 120.400 -0.041 0.000 2.402 388 D HA 0.026 4.671 4.640 0.008 0.000 0.235 388 D C 1.019 177.134 176.300 -0.309 0.000 1.226 388 D CA -0.181 53.749 54.000 -0.117 0.000 0.918 388 D CB 0.855 41.639 40.800 -0.026 0.000 1.043 388 D HN 0.602 nan 8.370 nan 0.000 0.506 389 T N 0.936 115.127 114.554 -0.604 0.000 3.148 389 T HA 0.046 4.401 4.350 0.008 0.000 0.253 389 T C 1.280 175.577 174.700 -0.671 0.000 1.134 389 T CA 0.069 61.367 62.100 -1.338 0.000 1.051 389 T CB 0.079 68.135 68.868 -1.353 0.000 0.959 389 T HN 0.124 nan 8.240 nan 0.000 0.525 390 R N 0.816 121.142 120.500 -0.290 0.000 2.317 390 R HA 0.376 4.721 4.340 0.008 0.000 0.208 390 R C 0.519 176.827 176.300 0.014 0.000 0.914 390 R CA 0.070 56.106 56.100 -0.107 0.000 1.060 390 R CB 0.183 30.432 30.300 -0.086 0.000 1.015 390 R HN 0.368 nan 8.270 nan 0.000 0.498 391 T N -1.471 113.137 114.554 0.089 0.000 2.993 391 T HA 0.153 4.508 4.350 0.008 0.000 0.312 391 T C 1.030 175.905 174.700 0.290 0.000 1.115 391 T CA -0.420 61.774 62.100 0.157 0.000 1.027 391 T CB 1.379 70.304 68.868 0.095 0.000 1.116 391 T HN 0.222 nan 8.240 nan 0.000 0.464 392 T N 0.891 115.573 114.554 0.213 0.000 2.821 392 T HA -0.093 4.262 4.350 0.008 0.000 0.267 392 T C 2.048 176.809 174.700 0.102 0.000 1.046 392 T CA 1.674 63.867 62.100 0.155 0.000 1.139 392 T CB -0.617 68.293 68.868 0.070 0.000 0.871 392 T HN 0.684 nan 8.240 nan 0.000 0.454 393 S N 1.996 117.752 115.700 0.094 0.000 2.603 393 S HA -0.004 4.471 4.470 0.008 0.000 0.229 393 S C 2.064 176.714 174.600 0.084 0.000 0.972 393 S CA 0.600 58.839 58.200 0.065 0.000 0.935 393 S CB -0.808 62.423 63.200 0.050 0.000 0.769 393 S HN 0.744 nan 8.310 nan 0.000 0.536 394 S N 1.731 117.519 115.700 0.146 0.000 2.522 394 S HA 0.199 4.674 4.470 0.008 0.000 0.227 394 S C 1.003 175.687 174.600 0.141 0.000 0.986 394 S CA 0.293 58.585 58.200 0.153 0.000 0.929 394 S CB -0.948 62.376 63.200 0.206 0.000 0.769 394 S HN 0.629 nan 8.310 nan 0.000 0.529 395 L N 0.615 121.894 121.223 0.093 0.000 3.898 395 L HA -0.165 4.179 4.340 0.008 0.000 0.407 395 L C 1.619 178.502 176.870 0.022 0.000 1.207 395 L CA 0.675 55.511 54.840 -0.007 0.000 0.931 395 L CB -2.521 39.541 42.059 0.005 0.000 2.014 395 L HN 0.741 nan 8.230 nan 0.000 0.858 396 W N 0.174 121.487 121.300 0.020 0.000 2.363 396 W HA -0.161 4.503 4.660 0.008 0.000 0.296 396 W C 1.721 178.259 176.519 0.031 0.000 1.212 396 W CA 1.415 58.775 57.345 0.026 0.000 1.260 396 W CB -0.758 28.714 29.460 0.020 0.000 1.131 396 W HN 0.275 nan 8.180 nan 0.000 0.530 397 K N 1.032 121.011 120.400 -0.702 0.000 2.057 397 K HA -0.168 4.157 4.320 0.008 0.000 0.207 397 K C 1.538 178.007 176.600 -0.219 0.000 1.049 397 K CA 2.380 58.297 56.287 -0.617 0.000 0.931 397 K CB -0.372 31.623 32.500 -0.841 0.000 0.714 397 K HN 0.060 nan 8.250 nan 0.000 0.440 398 D N 0.638 120.930 120.400 -0.180 0.000 2.117 398 D HA -0.117 4.528 4.640 0.008 0.000 0.198 398 D C 1.669 177.962 176.300 -0.011 0.000 0.982 398 D CA 1.192 55.141 54.000 -0.085 0.000 0.828 398 D CB 0.030 40.788 40.800 -0.070 0.000 0.967 398 D HN 0.121 nan 8.370 nan 0.000 0.464 399 K N 0.495 120.915 120.400 0.033 0.000 2.025 399 K HA 0.009 4.334 4.320 0.008 0.000 0.207 399 K C 2.205 178.870 176.600 0.107 0.000 1.049 399 K CA 1.098 57.431 56.287 0.078 0.000 0.933 399 K CB -0.138 32.428 32.500 0.110 0.000 0.714 399 K HN 0.080 nan 8.250 nan 0.000 0.438 400 A N 1.589 124.493 122.820 0.140 0.000 1.877 400 A HA -0.128 4.197 4.320 0.008 0.000 0.216 400 A C 2.392 180.058 177.584 0.136 0.000 1.186 400 A CA 1.870 54.018 52.037 0.185 0.000 0.620 400 A CB -0.782 18.367 19.000 0.248 0.000 0.822 400 A HN 0.332 nan 8.150 nan 0.000 0.443 401 A N -0.521 122.338 122.820 0.066 0.000 1.908 401 A HA -0.052 4.273 4.320 0.008 0.000 0.218 401 A C 2.237 179.832 177.584 0.019 0.000 1.181 401 A CA 1.920 53.970 52.037 0.022 0.000 0.627 401 A CB -1.018 17.959 19.000 -0.039 0.000 0.818 401 A HN 0.420 nan 8.150 nan 0.000 0.445 402 V N 0.242 120.174 119.914 0.029 0.000 2.343 402 V HA -0.214 3.911 4.120 0.008 0.000 0.247 402 V C 2.549 178.672 176.094 0.048 0.000 1.051 402 V CA 2.177 64.498 62.300 0.035 0.000 1.036 402 V CB -0.690 31.162 31.823 0.048 0.000 0.654 402 V HN 0.514 nan 8.190 nan 0.000 0.451 403 E N -0.163 120.089 120.200 0.086 0.000 2.152 403 E HA -0.075 4.280 4.350 0.008 0.000 0.192 403 E C 2.106 178.730 176.600 0.040 0.000 0.983 403 E CA 1.004 57.475 56.400 0.120 0.000 0.818 403 E CB -0.244 29.530 29.700 0.123 0.000 0.758 403 E HN 0.598 nan 8.360 nan 0.000 0.467 404 I N 1.495 122.112 120.570 0.079 0.000 2.252 404 I HA -0.248 3.927 4.170 0.008 0.000 0.245 404 I C 2.112 178.208 176.117 -0.036 0.000 1.102 404 I CA 0.856 62.206 61.300 0.084 0.000 1.385 404 I CB -0.304 37.814 38.000 0.197 0.000 1.064 404 I HN 0.065 nan 8.210 nan 0.000 0.414 405 N N 0.709 119.383 118.700 -0.042 0.000 2.188 405 N HA -0.163 4.582 4.740 0.008 0.000 0.184 405 N C 1.941 177.402 175.510 -0.082 0.000 1.018 405 N CA 1.145 54.150 53.050 -0.075 0.000 0.858 405 N CB -0.108 38.341 38.487 -0.063 0.000 0.989 405 N HN 0.206 nan 8.380 nan 0.000 0.426 406 L N 1.528 122.694 121.223 -0.094 0.000 2.083 406 L HA -0.057 4.288 4.340 0.008 0.000 0.209 406 L C 2.276 178.994 176.870 -0.253 0.000 1.083 406 L CA 1.327 56.070 54.840 -0.162 0.000 0.752 406 L CB -0.623 41.305 42.059 -0.219 0.000 0.899 406 L HN 0.044 nan 8.230 nan 0.000 0.433 407 A N -1.269 121.342 122.820 -0.347 0.000 1.902 407 A HA -0.144 4.181 4.320 0.008 0.000 0.217 407 A C 2.259 179.784 177.584 -0.098 0.000 1.181 407 A CA 1.886 53.698 52.037 -0.374 0.000 0.623 407 A CB -1.078 17.418 19.000 -0.841 0.000 0.818 407 A HN 0.277 nan 8.150 nan 0.000 0.443 408 V N 0.054 119.925 119.914 -0.072 0.000 2.255 408 V HA -0.302 3.823 4.120 0.008 0.000 0.247 408 V C 2.595 178.696 176.094 0.012 0.000 1.051 408 V CA 2.194 64.489 62.300 -0.008 0.000 1.018 408 V CB -0.804 30.930 31.823 -0.147 0.000 0.641 408 V HN 0.575 nan 8.190 nan 0.000 0.445 409 L N -0.705 120.493 121.223 -0.040 0.000 2.046 409 L HA -0.212 4.133 4.340 0.008 0.000 0.208 409 L C 2.604 179.506 176.870 0.053 0.000 1.077 409 L CA 2.118 56.952 54.840 -0.010 0.000 0.747 409 L CB -0.779 41.269 42.059 -0.019 0.000 0.896 409 L HN 0.498 nan 8.230 nan 0.000 0.432 410 H N -0.482 118.545 119.070 -0.071 0.000 2.319 410 H HA -0.148 4.413 4.556 0.009 0.000 0.299 410 H C 2.316 177.637 175.328 -0.012 0.000 1.092 410 H CA 2.032 58.033 56.048 -0.079 0.000 1.302 410 H CB 0.028 29.679 29.762 -0.184 0.000 1.373 410 H HN 0.158 nan 8.280 nan 0.000 0.497 411 S N -0.451 115.233 115.700 -0.027 0.000 2.355 411 S HA -0.109 4.366 4.470 0.008 0.000 0.222 411 S C 2.006 176.604 174.600 -0.004 0.000 1.031 411 S CA 1.266 59.435 58.200 -0.053 0.000 0.993 411 S CB -0.501 62.760 63.200 0.101 0.000 0.859 411 S HN 0.400 nan 8.310 nan 0.000 0.453 412 F N 1.844 121.744 119.950 -0.083 0.000 2.186 412 F HA -0.122 4.409 4.527 0.008 0.000 0.299 412 F C 2.784 178.536 175.800 -0.081 0.000 1.090 412 F CA 0.949 58.919 58.000 -0.050 0.000 1.307 412 F CB -0.249 38.748 39.000 -0.006 0.000 1.019 412 F HN 0.202 nan 8.300 nan 0.000 0.489 413 Q N 0.012 119.854 119.800 0.069 0.000 2.079 413 Q HA -0.201 4.144 4.340 0.008 0.000 0.200 413 Q C 2.371 178.316 176.000 -0.093 0.000 0.974 413 Q CA 1.170 56.962 55.803 -0.018 0.000 0.840 413 Q CB -0.291 28.427 28.738 -0.034 0.000 0.898 413 Q HN 0.430 nan 8.270 nan 0.000 0.430 414 L N 0.138 121.245 121.223 -0.194 0.000 2.042 414 L HA -0.162 4.183 4.340 0.008 0.000 0.210 414 L C 1.957 178.745 176.870 -0.137 0.000 1.076 414 L CA 1.547 56.260 54.840 -0.212 0.000 0.749 414 L CB -0.492 41.357 42.059 -0.350 0.000 0.893 414 L HN 0.233 nan 8.230 nan 0.000 0.432 415 A N -1.134 121.605 122.820 -0.136 0.000 2.235 415 A HA -0.065 4.260 4.320 0.008 0.000 0.208 415 A C 0.803 178.329 177.584 -0.097 0.000 1.172 415 A CA 0.074 52.034 52.037 -0.128 0.000 0.786 415 A CB -0.062 18.823 19.000 -0.191 0.000 0.804 415 A HN 0.454 nan 8.150 nan 0.000 0.479 416 K N -0.985 119.372 120.400 -0.072 0.000 3.150 416 K HA -0.127 4.198 4.320 0.008 0.000 0.267 416 K C -0.739 175.838 176.600 -0.038 0.000 1.028 416 K CA 0.756 57.013 56.287 -0.050 0.000 0.753 416 K CB -2.609 29.860 32.500 -0.051 0.000 1.288 416 K HN 0.279 nan 8.250 nan 0.000 0.473 417 V N 1.119 121.029 119.914 -0.007 0.000 2.448 417 V HA 0.175 4.300 4.120 0.008 0.000 0.295 417 V C 0.755 176.951 176.094 0.169 0.000 1.025 417 V CA -0.715 61.612 62.300 0.045 0.000 0.859 417 V CB 2.072 33.858 31.823 -0.062 0.000 0.988 417 V HN 0.324 nan 8.190 nan 0.000 0.431 418 T N 6.051 120.656 114.554 0.086 0.000 2.933 418 T HA 0.358 4.713 4.350 0.008 0.000 0.306 418 T C -0.280 174.501 174.700 0.134 0.000 1.045 418 T CA 0.935 63.015 62.100 -0.033 0.000 1.143 418 T CB 0.081 68.789 68.868 -0.267 0.000 1.003 418 T HN 0.522 nan 8.240 nan 0.000 0.540 419 I N 2.717 123.302 120.570 0.025 0.000 2.908 419 I HA 0.629 4.803 4.170 0.008 0.000 0.300 419 I C -1.552 174.599 176.117 0.057 0.000 1.385 419 I CA -0.807 60.532 61.300 0.065 0.000 1.004 419 I CB 2.110 40.066 38.000 -0.073 0.000 1.309 419 I HN 0.441 nan 8.210 nan 0.000 0.449 420 V N 5.409 125.411 119.914 0.146 0.000 2.638 420 V HA 0.563 4.688 4.120 0.008 0.000 0.306 420 V C -1.214 174.933 176.094 0.089 0.000 1.052 420 V CA -0.302 62.082 62.300 0.140 0.000 0.885 420 V CB 1.997 33.986 31.823 0.276 0.000 0.999 420 V HN 0.904 nan 8.190 nan 0.000 0.424 421 D N 4.229 124.660 120.400 0.051 0.000 2.358 421 D HA 0.154 4.799 4.640 0.008 0.000 0.244 421 D C 1.250 177.547 176.300 -0.004 0.000 1.163 421 D CA 0.280 54.298 54.000 0.030 0.000 0.945 421 D CB 0.473 41.267 40.800 -0.010 0.000 1.152 421 D HN 0.733 nan 8.370 nan 0.000 0.451 422 H N -0.088 118.898 119.070 -0.139 0.000 2.491 422 H HA -0.109 4.451 4.556 0.008 0.000 0.290 422 H C 0.970 176.170 175.328 -0.213 0.000 1.050 422 H CA 1.194 57.125 56.048 -0.195 0.000 1.309 422 H CB -0.549 29.045 29.762 -0.280 0.000 1.392 422 H HN 0.524 nan 8.280 nan 0.000 0.554 423 H N 1.144 119.984 119.070 -0.383 0.000 2.363 423 H HA 0.147 4.707 4.556 0.008 0.000 0.301 423 H C 2.457 177.754 175.328 -0.051 0.000 1.074 423 H CA 1.315 57.245 56.048 -0.196 0.000 1.354 423 H CB -0.220 29.405 29.762 -0.228 0.000 1.397 423 H HN 0.516 nan 8.280 nan 0.000 0.516 424 A N 1.333 124.198 122.820 0.075 0.000 1.930 424 A HA -0.017 4.307 4.320 0.008 0.000 0.217 424 A C 2.679 180.329 177.584 0.110 0.000 1.175 424 A CA 1.494 53.584 52.037 0.088 0.000 0.627 424 A CB -0.700 18.344 19.000 0.074 0.000 0.815 424 A HN 0.415 nan 8.150 nan 0.000 0.443 425 A N -0.172 122.711 122.820 0.105 0.000 1.902 425 A HA -0.097 4.228 4.320 0.008 0.000 0.217 425 A C 2.426 180.101 177.584 0.152 0.000 1.181 425 A CA 2.489 54.607 52.037 0.135 0.000 0.623 425 A CB -1.266 17.802 19.000 0.113 0.000 0.818 425 A HN 0.724 nan 8.150 nan 0.000 0.443 426 T N -3.160 111.467 114.554 0.122 0.000 2.942 426 T HA -0.016 4.339 4.350 0.008 0.000 0.265 426 T C 1.677 176.497 174.700 0.200 0.000 1.062 426 T CA 1.139 63.335 62.100 0.159 0.000 1.139 426 T CB -0.559 68.370 68.868 0.102 0.000 0.883 426 T HN 0.031 nan 8.240 nan 0.000 0.468 427 V N 2.111 122.120 119.914 0.159 0.000 2.343 427 V HA -0.170 3.954 4.120 0.008 0.000 0.247 427 V C 3.005 179.187 176.094 0.147 0.000 1.051 427 V CA 2.181 64.566 62.300 0.141 0.000 1.036 427 V CB -0.858 31.031 31.823 0.109 0.000 0.654 427 V HN 0.544 nan 8.190 nan 0.000 0.451 428 S N -0.595 115.202 115.700 0.161 0.000 2.406 428 S HA -0.121 4.354 4.470 0.008 0.000 0.228 428 S C 1.727 176.448 174.600 0.202 0.000 1.020 428 S CA 1.244 59.540 58.200 0.160 0.000 0.965 428 S CB -0.397 62.900 63.200 0.161 0.000 0.798 428 S HN 0.588 nan 8.310 nan 0.000 0.488 429 F N 2.397 122.409 119.950 0.104 0.000 2.186 429 F HA -0.040 4.492 4.527 0.008 0.000 0.299 429 F C 2.048 177.934 175.800 0.144 0.000 1.090 429 F CA 1.070 59.147 58.000 0.128 0.000 1.307 429 F CB -0.280 38.775 39.000 0.092 0.000 1.019 429 F HN 0.079 nan 8.300 nan 0.000 0.489 430 M N 0.025 119.710 119.600 0.142 0.000 2.159 430 M HA -0.181 4.304 4.480 0.008 0.000 0.263 430 M C 2.175 178.459 176.300 -0.027 0.000 1.063 430 M CA 1.487 56.814 55.300 0.044 0.000 1.110 430 M CB -1.203 31.462 32.600 0.108 0.000 1.374 430 M HN 0.074 nan 8.290 nan 0.000 0.411 431 K N -0.316 120.094 120.400 0.017 0.000 2.057 431 K HA -0.188 4.137 4.320 0.008 0.000 0.206 431 K C 1.996 178.579 176.600 -0.029 0.000 1.050 431 K CA 1.676 57.966 56.287 0.005 0.000 0.935 431 K CB -0.590 31.936 32.500 0.043 0.000 0.715 431 K HN 0.341 nan 8.250 nan 0.000 0.439 432 H N 0.235 119.224 119.070 -0.134 0.000 2.319 432 H HA -0.086 4.474 4.556 0.008 0.000 0.297 432 H C 1.692 176.854 175.328 -0.276 0.000 1.097 432 H CA 2.396 58.330 56.048 -0.189 0.000 1.285 432 H CB -0.285 29.334 29.762 -0.238 0.000 1.368 432 H HN 0.181 nan 8.280 nan 0.000 0.495 433 L N -0.237 120.682 121.223 -0.507 0.000 2.042 433 L HA -0.188 4.157 4.340 0.008 0.000 0.210 433 L C 2.370 179.078 176.870 -0.270 0.000 1.076 433 L CA 1.753 56.327 54.840 -0.444 0.000 0.749 433 L CB -0.505 41.361 42.059 -0.322 0.000 0.893 433 L HN 0.385 nan 8.230 nan 0.000 0.432 434 D N -0.045 120.249 120.400 -0.177 0.000 2.117 434 D HA -0.175 4.470 4.640 0.008 0.000 0.198 434 D C 1.902 178.132 176.300 -0.118 0.000 0.982 434 D CA 1.113 55.045 54.000 -0.112 0.000 0.828 434 D CB -0.006 40.757 40.800 -0.063 0.000 0.967 434 D HN 0.156 nan 8.370 nan 0.000 0.464 435 N N 0.567 119.187 118.700 -0.133 0.000 2.069 435 N HA -0.131 4.614 4.740 0.008 0.000 0.191 435 N C 1.612 177.040 175.510 -0.137 0.000 1.031 435 N CA 0.920 53.910 53.050 -0.100 0.000 0.852 435 N CB -0.251 38.206 38.487 -0.050 0.000 1.018 435 N HN 0.350 nan 8.380 nan 0.000 0.423 436 E N 0.516 120.554 120.200 -0.269 0.000 2.216 436 E HA -0.118 4.236 4.350 0.008 0.000 0.192 436 E C 1.857 178.358 176.600 -0.164 0.000 0.988 436 E CA 0.377 56.620 56.400 -0.261 0.000 0.834 436 E CB -0.087 29.347 29.700 -0.444 0.000 0.772 436 E HN 0.319 nan 8.360 nan 0.000 0.479 437 Q N 1.647 121.358 119.800 -0.148 0.000 2.096 437 Q HA -0.141 4.204 4.340 0.008 0.000 0.204 437 Q C 1.774 177.729 176.000 -0.076 0.000 0.982 437 Q CA 1.732 57.478 55.803 -0.095 0.000 0.850 437 Q CB 0.033 28.724 28.738 -0.077 0.000 0.901 437 Q HN 0.126 nan 8.270 nan 0.000 0.422 438 K N -0.891 119.466 120.400 -0.072 0.000 2.062 438 K HA 0.024 4.349 4.320 0.008 0.000 0.205 438 K C 2.007 178.578 176.600 -0.048 0.000 1.051 438 K CA 1.015 57.271 56.287 -0.052 0.000 0.941 438 K CB -0.142 32.334 32.500 -0.041 0.000 0.719 438 K HN 0.237 nan 8.250 nan 0.000 0.440 439 A N 1.190 123.980 122.820 -0.050 0.000 1.930 439 A HA -0.039 4.286 4.320 0.008 0.000 0.215 439 A C 1.749 179.309 177.584 -0.039 0.000 1.176 439 A CA 1.030 53.050 52.037 -0.028 0.000 0.632 439 A CB 0.051 19.050 19.000 -0.001 0.000 0.819 439 A HN 0.153 nan 8.150 nan 0.000 0.445 440 R N -2.777 117.686 120.500 -0.061 0.000 2.541 440 R HA 0.247 4.592 4.340 0.008 0.000 0.332 440 R C 0.855 177.116 176.300 -0.064 0.000 0.951 440 R CA 0.554 56.619 56.100 -0.058 0.000 1.136 440 R CB 0.728 30.988 30.300 -0.067 0.000 1.449 440 R HN 0.697 nan 8.270 nan 0.000 0.531 441 G N 0.932 109.687 108.800 -0.075 0.000 2.136 441 G HA2 -0.187 3.778 3.960 0.008 0.000 0.242 441 G HA3 -0.187 3.778 3.960 0.008 0.000 0.242 441 G C 0.220 175.083 174.900 -0.062 0.000 0.989 441 G CA 0.068 45.114 45.100 -0.091 0.000 0.682 441 G HN 0.731 nan 8.290 nan 0.000 0.522 442 G N -2.375 106.403 108.800 -0.038 0.000 2.337 442 G HA2 0.545 4.510 3.960 0.008 0.000 0.298 442 G HA3 0.545 4.510 3.960 0.008 0.000 0.298 442 G C -0.891 174.017 174.900 0.012 0.000 1.335 442 G CA 0.367 45.480 45.100 0.022 0.000 0.875 442 G HN 1.900 nan 8.290 nan 0.000 0.579 443 C N 1.964 121.297 119.300 0.055 0.000 2.705 443 C HA 0.752 5.217 4.460 0.008 0.000 0.369 443 C C -2.539 172.418 174.990 -0.054 0.000 1.069 443 C CA -1.304 57.697 59.018 -0.029 0.000 1.260 443 C CB 1.338 28.998 27.740 -0.133 0.000 1.764 443 C HN 0.693 nan 8.230 nan 0.000 0.469 444 P HA 0.405 nan 4.420 nan 0.000 0.271 444 P C -0.690 176.494 177.300 -0.193 0.000 1.226 444 P CA 0.577 63.258 63.100 -0.697 0.000 0.765 444 P CB 1.047 32.107 31.700 -1.066 0.000 0.835 445 A N 2.565 125.351 122.820 -0.056 0.000 2.517 445 A HA 0.419 4.744 4.320 0.008 0.000 0.297 445 A C -1.224 176.430 177.584 0.116 0.000 1.050 445 A CA -0.534 51.568 52.037 0.108 0.000 0.694 445 A CB 1.305 20.486 19.000 0.301 0.000 1.277 445 A HN 0.431 nan 8.150 nan 0.000 0.400 446 D N 1.984 122.445 120.400 0.101 0.000 2.473 446 D HA 0.165 4.810 4.640 0.008 0.000 0.226 446 D C 0.783 177.237 176.300 0.257 0.000 1.089 446 D CA -0.522 53.578 54.000 0.167 0.000 0.883 446 D CB 0.362 41.212 40.800 0.082 0.000 1.029 446 D HN 0.599 nan 8.370 nan 0.000 0.517 447 W N 4.260 125.615 121.300 0.092 0.000 2.321 447 W HA -0.270 4.396 4.660 0.009 0.000 0.306 447 W C 1.840 178.392 176.519 0.055 0.000 1.217 447 W CA 2.132 59.509 57.345 0.053 0.000 1.257 447 W CB 0.114 29.580 29.460 0.010 0.000 1.145 447 W HN 0.544 nan 8.180 nan 0.000 0.509 448 A N -1.353 121.741 122.820 0.457 0.000 2.070 448 A HA -0.164 4.160 4.320 0.008 0.000 0.220 448 A C 1.379 178.956 177.584 -0.012 0.000 1.159 448 A CA 1.499 53.691 52.037 0.258 0.000 0.656 448 A CB -1.135 18.030 19.000 0.276 0.000 0.800 448 A HN 0.550 nan 8.150 nan 0.000 0.453 449 W N -1.116 120.155 121.300 -0.049 0.000 2.762 449 W HA 0.233 4.897 4.660 0.008 0.000 0.265 449 W C 1.793 178.202 176.519 -0.183 0.000 1.263 449 W CA -0.176 57.118 57.345 -0.084 0.000 1.411 449 W CB 0.076 29.515 29.460 -0.035 0.000 1.065 449 W HN 0.114 nan 8.180 nan 0.000 0.609 450 I N -0.072 120.458 120.570 -0.066 0.000 2.333 450 I HA -0.059 4.115 4.170 0.008 0.000 0.246 450 I C 0.680 176.593 176.117 -0.340 0.000 1.106 450 I CA 0.813 61.943 61.300 -0.285 0.000 1.411 450 I CB -1.414 36.351 38.000 -0.392 0.000 1.082 450 I HN -0.410 nan 8.210 nan 0.000 0.420 451 V N 3.974 123.593 119.914 -0.491 0.000 2.521 451 V HA 0.076 4.201 4.120 0.008 0.000 0.286 451 V C -1.927 173.985 176.094 -0.304 0.000 1.034 451 V CA -1.001 61.003 62.300 -0.494 0.000 1.045 451 V CB 0.103 31.376 31.823 -0.917 0.000 0.974 451 V HN 0.121 nan 8.190 nan 0.000 0.480 452 P HA 0.135 nan 4.420 nan 0.000 0.269 452 P C -1.860 175.316 177.300 -0.206 0.000 1.215 452 P CA -1.114 61.870 63.100 -0.193 0.000 0.780 452 P CB 0.100 31.697 31.700 -0.172 0.000 0.898 453 P HA 0.039 nan 4.420 nan 0.000 0.245 453 P C 0.052 177.240 177.300 -0.187 0.000 1.212 453 P CA 0.845 63.829 63.100 -0.193 0.000 0.774 453 P CB 0.018 31.602 31.700 -0.193 0.000 0.999 454 I N -6.323 114.103 120.570 -0.240 0.000 2.892 454 I HA 0.475 4.650 4.170 0.008 0.000 0.306 454 I C 0.141 176.148 176.117 -0.183 0.000 1.078 454 I CA -1.235 59.937 61.300 -0.212 0.000 1.032 454 I CB 1.835 39.688 38.000 -0.245 0.000 1.229 454 I HN -0.412 nan 8.210 nan 0.000 0.435 455 S N 2.199 117.846 115.700 -0.089 0.000 3.477 455 S HA -0.210 4.265 4.470 0.008 0.000 0.357 455 S C 1.425 176.009 174.600 -0.028 0.000 1.083 455 S CA 0.835 59.026 58.200 -0.015 0.000 1.042 455 S CB -1.696 61.578 63.200 0.123 0.000 0.911 455 S HN 1.243 nan 8.310 nan 0.000 0.490 456 G N 2.107 110.864 108.800 -0.072 0.000 2.599 456 G HA2 -0.326 3.638 3.960 0.008 0.000 0.219 456 G HA3 -0.326 3.638 3.960 0.008 0.000 0.219 456 G C 1.384 176.182 174.900 -0.169 0.000 1.193 456 G CA 1.498 46.571 45.100 -0.046 0.000 0.778 456 G HN 1.271 nan 8.290 nan 0.000 0.589 457 S N 0.126 115.471 115.700 -0.592 0.000 2.603 457 S HA 0.250 4.725 4.470 0.008 0.000 0.220 457 S C 1.975 176.482 174.600 -0.156 0.000 0.967 457 S CA 0.176 57.827 58.200 -0.914 0.000 0.920 457 S CB -0.109 62.261 63.200 -1.382 0.000 0.773 457 S HN 0.315 nan 8.310 nan 0.000 0.529 458 L N 2.062 123.264 121.223 -0.035 0.000 2.554 458 L HA 0.142 4.487 4.340 0.008 0.000 0.226 458 L C 1.262 178.250 176.870 0.197 0.000 1.137 458 L CA 0.451 55.356 54.840 0.109 0.000 0.863 458 L CB -0.906 41.248 42.059 0.158 0.000 0.985 458 L HN 0.487 nan 8.230 nan 0.000 0.451 459 T N -4.523 110.138 114.554 0.178 0.000 2.945 459 T HA 0.341 4.696 4.350 0.008 0.000 0.286 459 T C -1.837 173.021 174.700 0.263 0.000 1.025 459 T CA -2.004 60.223 62.100 0.211 0.000 1.039 459 T CB 1.933 70.883 68.868 0.136 0.000 1.068 459 T HN -0.233 nan 8.240 nan 0.000 0.497 460 P HA -0.052 nan 4.420 nan 0.000 0.221 460 P C 1.842 179.328 177.300 0.311 0.000 1.150 460 P CA 0.911 64.195 63.100 0.307 0.000 0.800 460 P CB -0.430 31.403 31.700 0.221 0.000 0.787 461 V N -3.633 116.415 119.914 0.223 0.000 2.626 461 V HA -0.194 3.931 4.120 0.008 0.000 0.252 461 V C 2.341 178.516 176.094 0.135 0.000 1.067 461 V CA 1.188 63.592 62.300 0.174 0.000 1.081 461 V CB -2.213 29.649 31.823 0.065 0.000 0.686 461 V HN -0.109 nan 8.190 nan 0.000 0.468 462 F N 1.686 121.589 119.950 -0.079 0.000 2.126 462 F HA -0.190 4.342 4.527 0.008 0.000 0.299 462 F C 2.502 178.388 175.800 0.143 0.000 1.096 462 F CA 2.305 60.261 58.000 -0.073 0.000 1.255 462 F CB -0.243 38.567 39.000 -0.317 0.000 0.997 462 F HN 0.258 nan 8.300 nan 0.000 0.479 463 H N -0.956 118.448 119.070 0.558 0.000 2.539 463 H HA 0.091 4.652 4.556 0.008 0.000 0.267 463 H C 0.295 175.882 175.328 0.433 0.000 0.982 463 H CA 0.319 56.656 56.048 0.483 0.000 1.146 463 H CB -0.252 29.757 29.762 0.412 0.000 1.382 463 H HN 0.265 nan 8.280 nan 0.000 0.577 464 Q N 1.908 121.983 119.800 0.459 0.000 2.340 464 Q HA 0.160 4.505 4.340 0.008 0.000 0.259 464 Q C -0.579 175.658 176.000 0.395 0.000 0.964 464 Q CA -0.409 55.619 55.803 0.374 0.000 0.900 464 Q CB 0.752 29.675 28.738 0.307 0.000 1.228 464 Q HN 0.223 nan 8.270 nan 0.000 0.449 465 E N 3.242 123.627 120.200 0.308 0.000 2.398 465 E HA 0.213 4.568 4.350 0.008 0.000 0.263 465 E C -0.486 176.248 176.600 0.224 0.000 1.046 465 E CA 0.396 56.928 56.400 0.220 0.000 0.908 465 E CB 0.767 30.572 29.700 0.174 0.000 0.963 465 E HN 0.594 nan 8.360 nan 0.000 0.431 466 M N 1.401 121.130 119.600 0.215 0.000 2.501 466 M HA 0.356 4.841 4.480 0.008 0.000 0.293 466 M C -1.281 175.132 176.300 0.188 0.000 1.192 466 M CA -0.988 54.452 55.300 0.233 0.000 0.886 466 M CB 2.402 35.198 32.600 0.328 0.000 1.710 466 M HN 0.163 nan 8.290 nan 0.000 0.457 467 V N 1.671 121.709 119.914 0.206 0.000 2.417 467 V HA 0.420 4.545 4.120 0.008 0.000 0.291 467 V C -0.576 175.672 176.094 0.257 0.000 1.024 467 V CA -0.725 61.729 62.300 0.258 0.000 0.861 467 V CB 1.509 33.531 31.823 0.331 0.000 0.985 467 V HN 0.881 nan 8.190 nan 0.000 0.436 468 N N 3.689 122.528 118.700 0.233 0.000 2.372 468 N HA 0.708 5.453 4.740 0.008 0.000 0.291 468 N C -1.615 174.022 175.510 0.212 0.000 1.024 468 N CA -0.422 52.685 53.050 0.095 0.000 0.873 468 N CB 1.761 40.301 38.487 0.087 0.000 1.206 468 N HN 0.754 nan 8.380 nan 0.000 0.486 469 Y N 0.735 121.057 120.300 0.037 0.000 2.677 469 Y HA 0.472 5.027 4.550 0.008 0.000 0.334 469 Y C -1.452 174.453 175.900 0.007 0.000 1.196 469 Y CA -1.201 56.914 58.100 0.025 0.000 1.059 469 Y CB 0.796 39.275 38.460 0.031 0.000 1.315 469 Y HN 0.160 nan 8.280 nan 0.000 0.455 470 I N 3.540 124.206 120.570 0.160 0.000 2.312 470 I HA 0.404 4.579 4.170 0.008 0.000 0.290 470 I C -0.770 175.410 176.117 0.106 0.000 1.008 470 I CA -0.519 60.816 61.300 0.058 0.000 1.226 470 I CB 1.090 39.110 38.000 0.033 0.000 1.371 470 I HN 0.422 nan 8.210 nan 0.000 0.468 471 L N 5.017 126.272 121.223 0.053 0.000 2.331 471 L HA 0.534 4.879 4.340 0.008 0.000 0.275 471 L C 0.114 176.981 176.870 -0.004 0.000 1.022 471 L CA -0.454 54.421 54.840 0.058 0.000 0.812 471 L CB 2.006 44.095 42.059 0.050 0.000 1.257 471 L HN 0.535 nan 8.230 nan 0.000 0.435 472 S N 1.981 117.688 115.700 0.012 0.000 2.532 472 S HA 0.619 5.094 4.470 0.008 0.000 0.301 472 S C -2.545 172.060 174.600 0.008 0.000 1.083 472 S CA -1.479 56.712 58.200 -0.015 0.000 1.025 472 S CB 1.798 65.002 63.200 0.007 0.000 1.056 472 S HN 0.243 nan 8.310 nan 0.000 0.494 473 P HA 0.349 nan 4.420 nan 0.000 0.267 473 P C -1.432 175.728 177.300 -0.233 0.000 1.201 473 P CA 0.056 63.057 63.100 -0.165 0.000 0.775 473 P CB 0.515 32.074 31.700 -0.235 0.000 0.854 474 A N 2.103 124.746 122.820 -0.296 0.000 2.574 474 A HA 0.649 4.974 4.320 0.008 0.000 0.297 474 A C -1.395 175.957 177.584 -0.387 0.000 1.062 474 A CA -0.534 51.334 52.037 -0.282 0.000 0.686 474 A CB 0.766 19.680 19.000 -0.144 0.000 1.285 474 A HN 0.339 nan 8.150 nan 0.000 0.403 475 F N 1.387 121.247 119.950 -0.151 0.000 2.404 475 F HA 0.621 5.153 4.527 0.007 0.000 0.345 475 F C 1.095 176.786 175.800 -0.182 0.000 1.110 475 F CA 0.270 58.183 58.000 -0.144 0.000 1.130 475 F CB 1.415 40.296 39.000 -0.198 0.000 1.129 475 F HN 0.516 nan 8.300 nan 0.000 0.500 476 R N 1.868 122.388 120.500 0.033 0.000 2.795 476 R HA 0.428 4.773 4.340 0.008 0.000 0.275 476 R C -1.516 174.745 176.300 -0.065 0.000 0.981 476 R CA -1.264 54.779 56.100 -0.095 0.000 0.917 476 R CB 1.685 31.963 30.300 -0.036 0.000 1.202 476 R HN 0.396 nan 8.270 nan 0.000 0.469 477 Y N 1.596 121.914 120.300 0.030 0.000 2.379 477 Y HA 0.089 4.644 4.550 0.008 0.000 0.337 477 Y C 0.710 176.607 175.900 -0.005 0.000 1.238 477 Y CA -0.056 58.051 58.100 0.011 0.000 1.405 477 Y CB 0.663 39.117 38.460 -0.010 0.000 1.310 477 Y HN 0.452 nan 8.280 nan 0.000 0.569 478 Q N 1.714 121.606 119.800 0.153 0.000 2.416 478 Q HA 0.648 4.993 4.340 0.008 0.000 0.281 478 Q C -3.134 172.837 176.000 -0.049 0.000 1.067 478 Q CA -2.508 53.318 55.803 0.038 0.000 0.809 478 Q CB 2.171 30.924 28.738 0.025 0.000 1.418 478 Q HN 0.254 nan 8.270 nan 0.000 0.411 479 P HA 0.085 nan 4.420 nan 0.000 0.269 479 P C -0.855 176.243 177.300 -0.337 0.000 1.215 479 P CA -0.055 62.924 63.100 -0.201 0.000 0.780 479 P CB 0.416 32.008 31.700 -0.180 0.000 0.898 480 D N 2.897 122.972 120.400 -0.540 0.000 2.423 480 D HA 0.008 4.653 4.640 0.008 0.000 0.238 480 D C -1.102 174.603 176.300 -0.991 0.000 1.142 480 D CA -0.948 52.466 54.000 -0.976 0.000 0.884 480 D CB 0.256 40.095 40.800 -1.601 0.000 1.199 480 D HN 0.267 nan 8.370 nan 0.000 0.438 481 P HA -0.031 nan 4.420 nan 0.000 0.225 481 P C 0.324 177.235 177.300 -0.648 0.000 1.156 481 P CA 0.680 63.339 63.100 -0.736 0.000 0.787 481 P CB 0.084 31.252 31.700 -0.888 0.000 0.802 482 W N 0.000 120.849 121.300 -0.752 0.000 2.388 482 W HA 0.000 4.665 4.660 0.008 0.000 0.303 482 W CA 0.000 57.098 57.345 -0.411 0.000 1.226 482 W CB 0.000 29.254 29.460 -0.344 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535