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 5nse_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 0.000 174.807 174.900 -0.156 0.000 0.946 67 G CA 0.000 45.062 45.100 -0.063 0.000 0.502 68 P HA 0.245 nan 4.420 nan 0.000 0.267 68 P C -0.056 177.096 177.300 -0.246 0.000 1.201 68 P CA -0.036 62.861 63.100 -0.338 0.000 0.775 68 P CB 0.767 32.113 31.700 -0.591 0.000 0.854 69 K N 1.769 121.918 120.400 -0.420 0.000 2.836 69 K HA 0.096 4.421 4.320 0.008 0.000 0.236 69 K C -0.769 175.327 176.600 -0.841 0.000 1.015 69 K CA 0.115 56.050 56.287 -0.586 0.000 1.194 69 K CB -0.515 31.594 32.500 -0.651 0.000 1.002 69 K HN 0.337 nan 8.250 nan 0.000 0.479 70 F N -0.330 119.644 119.950 0.041 0.000 2.620 70 F HA 0.384 4.916 4.527 0.009 0.000 0.320 70 F C -2.158 173.760 175.800 0.196 0.000 1.069 70 F CA -2.980 55.076 58.000 0.094 0.000 0.953 70 F CB 0.688 39.743 39.000 0.091 0.000 1.322 70 F HN -0.064 nan 8.300 nan 0.000 0.479 71 P HA 0.036 nan 4.420 nan 0.000 0.262 71 P C -0.788 176.591 177.300 0.132 0.000 1.182 71 P CA 0.019 63.226 63.100 0.179 0.000 0.761 71 P CB 0.456 32.231 31.700 0.126 0.000 0.795 72 R N 2.968 123.465 120.500 -0.004 0.000 2.229 72 R HA 0.429 4.774 4.340 0.008 0.000 0.328 72 R C -1.253 174.921 176.300 -0.210 0.000 1.009 72 R CA -0.582 55.323 56.100 -0.324 0.000 0.864 72 R CB 0.563 30.712 30.300 -0.252 0.000 1.085 72 R HN 0.224 nan 8.270 nan 0.000 0.453 73 V N 5.079 124.834 119.914 -0.264 0.000 2.448 73 V HA 0.362 4.487 4.120 0.008 0.000 0.295 73 V C -0.281 175.702 176.094 -0.185 0.000 1.025 73 V CA -0.741 61.478 62.300 -0.134 0.000 0.859 73 V CB 1.520 33.307 31.823 -0.059 0.000 0.988 73 V HN 0.704 nan 8.190 nan 0.000 0.431 74 K N 3.832 124.128 120.400 -0.173 0.000 2.259 74 K HA 0.432 4.757 4.320 0.008 0.000 0.252 74 K C -0.662 175.778 176.600 -0.266 0.000 0.936 74 K CA -0.702 55.389 56.287 -0.327 0.000 0.810 74 K CB 1.525 33.648 32.500 -0.628 0.000 1.143 74 K HN 0.716 nan 8.250 nan 0.000 0.427 75 N N 4.104 122.658 118.700 -0.243 0.000 2.469 75 N HA 0.100 4.845 4.740 0.008 0.000 0.253 75 N C -0.220 175.215 175.510 -0.125 0.000 0.970 75 N CA -0.363 52.660 53.050 -0.046 0.000 0.940 75 N CB 0.502 39.005 38.487 0.027 0.000 1.128 75 N HN 0.675 nan 8.380 nan 0.000 0.503 76 W N 2.140 123.515 121.300 0.126 0.000 2.595 76 W HA 0.067 4.732 4.660 0.008 0.000 0.257 76 W C 2.106 178.671 176.519 0.077 0.000 1.267 76 W CA 0.016 57.425 57.345 0.107 0.000 1.300 76 W CB 0.231 29.775 29.460 0.140 0.000 1.120 76 W HN 0.660 nan 8.180 nan 0.000 0.618 77 E N 0.635 120.984 120.200 0.249 0.000 2.076 77 E HA -0.134 4.221 4.350 0.008 0.000 0.190 77 E C 1.745 178.381 176.600 0.059 0.000 0.979 77 E CA 1.109 57.561 56.400 0.087 0.000 0.807 77 E CB -0.242 29.484 29.700 0.043 0.000 0.761 77 E HN 0.273 nan 8.360 nan 0.000 0.454 78 L N -1.005 120.250 121.223 0.053 0.000 2.513 78 L HA 0.313 4.658 4.340 0.008 0.000 0.222 78 L C 1.674 178.534 176.870 -0.017 0.000 1.096 78 L CA 0.431 55.281 54.840 0.018 0.000 0.857 78 L CB 0.435 42.505 42.059 0.019 0.000 1.026 78 L HN 0.437 nan 8.230 nan 0.000 0.469 79 G N 0.378 109.145 108.800 -0.055 0.000 2.179 79 G HA2 -0.320 3.645 3.960 0.008 0.000 0.260 79 G HA3 -0.320 3.645 3.960 0.008 0.000 0.260 79 G C 0.448 175.257 174.900 -0.152 0.000 0.977 79 G CA 0.433 45.458 45.100 -0.125 0.000 0.641 79 G HN 0.457 nan 8.290 nan 0.000 0.533 80 S N 0.247 115.879 115.700 -0.113 0.000 2.585 80 S HA 0.723 5.198 4.470 0.008 0.000 0.273 80 S C 0.230 174.739 174.600 -0.152 0.000 1.339 80 S CA -0.382 57.757 58.200 -0.102 0.000 1.028 80 S CB 1.873 65.039 63.200 -0.057 0.000 0.906 80 S HN 0.467 nan 8.310 nan 0.000 0.528 81 I N 1.719 122.209 120.570 -0.133 0.000 2.689 81 I HA 0.608 4.783 4.170 0.008 0.000 0.299 81 I C 0.170 176.196 176.117 -0.152 0.000 1.059 81 I CA -0.222 60.966 61.300 -0.187 0.000 1.055 81 I CB 1.916 39.801 38.000 -0.192 0.000 1.243 81 I HN 1.081 nan 8.210 nan 0.000 0.425 82 T N 1.384 115.798 114.554 -0.234 0.000 2.843 82 T HA 0.680 5.034 4.350 0.008 0.000 0.302 82 T C -1.418 173.100 174.700 -0.303 0.000 1.232 82 T CA -0.714 61.302 62.100 -0.138 0.000 1.009 82 T CB 1.896 70.724 68.868 -0.066 0.000 1.254 82 T HN 0.261 nan 8.240 nan 0.000 0.504 83 Y N 0.138 120.435 120.300 -0.005 0.000 2.446 83 Y HA 0.527 5.082 4.550 0.008 0.000 0.345 83 Y C -0.035 175.847 175.900 -0.031 0.000 0.984 83 Y CA -0.943 57.171 58.100 0.024 0.000 1.058 83 Y CB 1.822 40.329 38.460 0.077 0.000 1.220 83 Y HN 0.728 nan 8.280 nan 0.000 0.455 84 D N 1.833 122.308 120.400 0.124 0.000 2.396 84 D HA 0.088 4.733 4.640 0.008 0.000 0.225 84 D C 0.666 176.905 176.300 -0.101 0.000 1.121 84 D CA 0.086 54.099 54.000 0.022 0.000 0.853 84 D CB 1.231 42.074 40.800 0.072 0.000 1.043 84 D HN 0.824 nan 8.370 nan 0.000 0.500 85 T N 1.076 115.434 114.554 -0.327 0.000 3.051 85 T HA -0.076 4.279 4.350 0.008 0.000 0.255 85 T C 1.905 176.405 174.700 -0.334 0.000 1.085 85 T CA -0.147 61.546 62.100 -0.680 0.000 1.109 85 T CB 0.092 68.415 68.868 -0.908 0.000 0.921 85 T HN 0.264 nan 8.240 nan 0.000 0.488 86 L N 2.482 123.580 121.223 -0.210 0.000 2.083 86 L HA 0.010 4.355 4.340 0.008 0.000 0.209 86 L C 2.650 179.367 176.870 -0.255 0.000 1.083 86 L CA 1.377 56.136 54.840 -0.135 0.000 0.752 86 L CB -1.006 41.055 42.059 0.003 0.000 0.899 86 L HN 0.663 nan 8.230 nan 0.000 0.433 87 C N -1.491 117.470 119.300 -0.564 0.000 2.409 87 C HA 0.047 4.511 4.460 0.008 0.000 0.288 87 C C 2.762 177.529 174.990 -0.372 0.000 1.395 87 C CA 0.136 58.561 59.018 -0.988 0.000 1.792 87 C CB -2.346 24.762 27.740 -1.052 0.000 1.847 87 C HN 0.585 nan 8.230 nan 0.000 0.534 88 A N 0.310 123.032 122.820 -0.164 0.000 2.121 88 A HA -0.099 4.226 4.320 0.008 0.000 0.218 88 A C 2.193 179.761 177.584 -0.028 0.000 1.154 88 A CA 1.324 53.347 52.037 -0.023 0.000 0.679 88 A CB -0.523 18.536 19.000 0.098 0.000 0.795 88 A HN 0.811 nan 8.150 nan 0.000 0.458 89 Q N -0.449 119.320 119.800 -0.053 0.000 2.319 89 Q HA 0.120 4.465 4.340 0.008 0.000 0.202 89 Q C 0.516 176.523 176.000 0.013 0.000 0.896 89 Q CA 0.051 55.850 55.803 -0.008 0.000 0.942 89 Q CB 0.344 29.083 28.738 0.002 0.000 1.083 89 Q HN 0.459 nan 8.270 nan 0.000 0.510 90 S N 0.959 116.653 115.700 -0.009 0.000 2.429 90 S HA 0.008 4.483 4.470 0.008 0.000 0.292 90 S C 0.859 175.482 174.600 0.038 0.000 1.183 90 S CA -0.274 57.953 58.200 0.046 0.000 1.088 90 S CB 0.448 63.680 63.200 0.054 0.000 1.018 90 S HN 0.178 nan 8.310 nan 0.000 0.511 91 Q N 2.876 122.704 119.800 0.047 0.000 2.425 91 Q HA 0.149 4.493 4.340 0.008 0.000 0.204 91 Q C 0.357 176.380 176.000 0.037 0.000 0.933 91 Q CA 0.446 56.272 55.803 0.038 0.000 0.939 91 Q CB 0.243 29.006 28.738 0.041 0.000 1.044 91 Q HN 0.822 nan 8.270 nan 0.000 0.513 92 Q N 1.096 120.923 119.800 0.044 0.000 2.316 92 Q HA 0.177 4.522 4.340 0.008 0.000 0.264 92 Q C -1.058 174.969 176.000 0.046 0.000 0.987 92 Q CA -0.568 55.258 55.803 0.038 0.000 0.852 92 Q CB 1.260 30.016 28.738 0.030 0.000 1.287 92 Q HN -0.021 nan 8.270 nan 0.000 0.448 93 D N 2.016 122.439 120.400 0.037 0.000 2.358 93 D HA 0.330 4.975 4.640 0.008 0.000 0.244 93 D C 0.075 176.400 176.300 0.042 0.000 1.163 93 D CA 0.139 54.163 54.000 0.040 0.000 0.945 93 D CB 1.203 42.022 40.800 0.031 0.000 1.152 93 D HN 0.701 nan 8.370 nan 0.000 0.451 94 G N -0.380 108.449 108.800 0.048 0.000 2.938 94 G HA2 0.392 4.357 3.960 0.008 0.000 0.258 94 G HA3 0.392 4.357 3.960 0.008 0.000 0.258 94 G C -1.844 173.081 174.900 0.041 0.000 1.356 94 G CA -0.748 44.380 45.100 0.046 0.000 1.052 94 G HN 0.241 nan 8.290 nan 0.000 0.550 95 P HA 0.077 nan 4.420 nan 0.000 0.225 95 P C 0.527 177.851 177.300 0.039 0.000 1.156 95 P CA 0.254 63.379 63.100 0.041 0.000 0.787 95 P CB 0.099 31.828 31.700 0.048 0.000 0.802 96 C N 0.993 120.319 119.300 0.042 0.000 2.534 96 C HA 0.542 5.007 4.460 0.008 0.000 0.385 96 C C 1.078 176.088 174.990 0.032 0.000 1.264 96 C CA 0.062 59.102 59.018 0.038 0.000 2.342 96 C CB 0.508 28.274 27.740 0.044 0.000 2.564 96 C HN 0.358 nan 8.230 nan 0.000 0.603 97 T N -1.318 113.252 114.554 0.027 0.000 2.864 97 T HA 0.408 4.763 4.350 0.008 0.000 0.299 97 T C -2.364 172.347 174.700 0.019 0.000 1.166 97 T CA -1.144 60.968 62.100 0.022 0.000 1.007 97 T CB 1.331 70.210 68.868 0.018 0.000 1.219 97 T HN 0.254 nan 8.240 nan 0.000 0.506 98 P HA -0.129 nan 4.420 nan 0.000 0.216 98 P C 1.708 179.014 177.300 0.011 0.000 1.153 98 P CA 1.000 64.108 63.100 0.013 0.000 0.858 98 P CB 0.082 31.788 31.700 0.009 0.000 0.789 99 R N -0.097 120.409 120.500 0.011 0.000 2.097 99 R HA -0.158 4.187 4.340 0.008 0.000 0.236 99 R C 0.841 177.147 176.300 0.010 0.000 1.135 99 R CA 1.455 57.560 56.100 0.009 0.000 0.934 99 R CB -0.041 30.265 30.300 0.009 0.000 0.846 99 R HN 0.119 nan 8.270 nan 0.000 0.431 100 R N -0.013 120.494 120.500 0.013 0.000 2.771 100 R HA 0.232 4.577 4.340 0.008 0.000 0.274 100 R C -1.636 174.675 176.300 0.019 0.000 0.987 100 R CA -0.737 55.371 56.100 0.014 0.000 0.908 100 R CB 0.546 30.854 30.300 0.014 0.000 1.213 100 R HN 0.189 nan 8.270 nan 0.000 0.468 101 C N 3.621 122.932 119.300 0.018 0.000 2.255 101 C HA 0.539 5.004 4.460 0.008 0.000 0.326 101 C C 0.503 175.512 174.990 0.032 0.000 1.258 101 C CA -0.723 58.309 59.018 0.025 0.000 1.676 101 C CB -1.019 26.732 27.740 0.018 0.000 2.314 101 C HN 0.734 nan 8.230 nan 0.000 0.509 102 L N 6.085 127.332 121.223 0.040 0.000 3.108 102 L HA 0.298 4.643 4.340 0.008 0.000 0.251 102 L C 1.771 178.680 176.870 0.066 0.000 1.315 102 L CA 0.095 54.965 54.840 0.049 0.000 1.048 102 L CB 0.002 42.088 42.059 0.046 0.000 1.432 102 L HN 1.021 nan 8.230 nan 0.000 0.543 103 G N -0.325 108.516 108.800 0.069 0.000 2.623 103 G HA2 -0.170 3.795 3.960 0.008 0.000 0.214 103 G HA3 -0.170 3.795 3.960 0.008 0.000 0.214 103 G C 1.504 176.483 174.900 0.132 0.000 1.138 103 G CA 0.895 46.050 45.100 0.091 0.000 0.794 103 G HN 0.508 nan 8.290 nan 0.000 0.535 104 S N -0.324 115.450 115.700 0.123 0.000 2.548 104 S HA 0.285 4.760 4.470 0.008 0.000 0.215 104 S C 0.625 175.328 174.600 0.171 0.000 0.976 104 S CA -0.419 57.874 58.200 0.156 0.000 0.908 104 S CB -0.045 63.221 63.200 0.110 0.000 0.781 104 S HN -0.033 nan 8.310 nan 0.000 0.519 105 L N 2.617 123.925 121.223 0.142 0.000 2.418 105 L HA 0.253 4.598 4.340 0.008 0.000 0.274 105 L C 1.377 178.363 176.870 0.195 0.000 1.135 105 L CA 0.109 55.032 54.840 0.138 0.000 0.870 105 L CB 0.654 42.769 42.059 0.094 0.000 1.154 105 L HN -0.021 nan 8.230 nan 0.000 0.462 106 V N 3.992 124.045 119.914 0.231 0.000 2.261 106 V HA -0.164 3.960 4.120 0.008 0.000 0.246 106 V C 1.014 177.242 176.094 0.223 0.000 1.047 106 V CA 1.353 63.847 62.300 0.323 0.000 1.015 106 V CB -0.343 31.674 31.823 0.323 0.000 0.642 106 V HN 0.526 nan 8.190 nan 0.000 0.446 107 L N 3.117 124.413 121.223 0.121 0.000 2.426 107 L HA 0.391 4.736 4.340 0.008 0.000 0.255 107 L C -2.431 174.491 176.870 0.086 0.000 1.080 107 L CA -1.096 53.794 54.840 0.084 0.000 0.960 107 L CB 0.801 42.841 42.059 -0.032 0.000 1.326 107 L HN 0.251 nan 8.230 nan 0.000 0.441 108 P HA 0.286 nan 4.420 nan 0.000 0.301 108 P C -0.500 176.841 177.300 0.069 0.000 1.348 108 P CA -0.765 62.380 63.100 0.075 0.000 0.826 108 P CB 1.196 32.939 31.700 0.072 0.000 0.945 109 R N 3.693 124.223 120.500 0.050 0.000 3.147 109 R HA 0.004 4.348 4.340 0.008 0.000 0.230 109 R C 0.673 176.995 176.300 0.037 0.000 1.549 109 R CA 0.347 56.472 56.100 0.042 0.000 1.025 109 R CB -0.431 29.884 30.300 0.027 0.000 1.180 109 R HN 0.465 nan 8.270 nan 0.000 0.575 110 K N 0.297 120.723 120.400 0.042 0.000 2.524 110 K HA 0.138 4.463 4.320 0.008 0.000 0.210 110 K C 1.663 178.275 176.600 0.020 0.000 1.340 110 K CA 0.206 56.510 56.287 0.029 0.000 0.880 110 K CB -0.222 32.295 32.500 0.028 0.000 1.616 110 K HN 0.089 nan 8.250 nan 0.000 0.457 111 L N 2.154 123.385 121.223 0.014 0.000 2.492 111 L HA 0.118 4.463 4.340 0.008 0.000 0.223 111 L C 0.893 177.772 176.870 0.014 0.000 1.132 111 L CA 0.400 55.236 54.840 -0.007 0.000 0.850 111 L CB -0.744 41.282 42.059 -0.056 0.000 0.966 111 L HN 0.146 nan 8.230 nan 0.000 0.454 112 Q N 1.673 121.500 119.800 0.045 0.000 2.436 112 Q HA -0.078 4.267 4.340 0.008 0.000 0.326 112 Q C 0.067 176.081 176.000 0.024 0.000 1.079 112 Q CA 0.697 56.532 55.803 0.054 0.000 1.049 112 Q CB 0.171 28.939 28.738 0.049 0.000 1.047 112 Q HN 0.360 nan 8.270 nan 0.000 0.386 113 T N 2.509 117.075 114.554 0.020 0.000 3.336 113 T HA 0.417 4.772 4.350 0.008 0.000 0.384 113 T C -0.155 174.539 174.700 -0.011 0.000 1.704 113 T CA -0.906 61.196 62.100 0.002 0.000 1.334 113 T CB 0.248 69.117 68.868 0.001 0.000 1.131 113 T HN 0.476 nan 8.240 nan 0.000 0.684 114 R N 3.224 123.716 120.500 -0.014 0.000 2.446 114 R HA 0.238 4.583 4.340 0.008 0.000 0.314 114 R C -2.336 173.948 176.300 -0.026 0.000 1.003 114 R CA -1.656 54.428 56.100 -0.026 0.000 1.018 114 R CB -0.591 29.697 30.300 -0.020 0.000 0.945 114 R HN 0.310 nan 8.270 nan 0.000 0.419 115 P HA -0.131 nan 4.420 nan 0.000 0.220 115 P C -0.981 176.306 177.300 -0.022 0.000 1.000 115 P CA 0.842 63.924 63.100 -0.030 0.000 1.063 115 P CB 0.067 31.744 31.700 -0.038 0.000 1.023 116 S N 5.344 121.033 115.700 -0.019 0.000 2.465 116 S HA 0.083 4.557 4.470 0.008 0.000 0.280 116 S C -0.791 173.801 174.600 -0.013 0.000 1.232 116 S CA -0.783 57.408 58.200 -0.015 0.000 1.066 116 S CB 0.479 63.670 63.200 -0.015 0.000 0.929 116 S HN 0.373 nan 8.310 nan 0.000 0.494 117 P HA -0.078 nan 4.420 nan 0.000 0.214 117 P C 0.857 178.154 177.300 -0.006 0.000 1.169 117 P CA 1.068 64.164 63.100 -0.006 0.000 0.908 117 P CB -0.007 31.691 31.700 -0.003 0.000 0.791 118 G N -1.651 107.146 108.800 -0.005 0.000 2.705 118 G HA2 0.522 4.487 3.960 0.008 0.000 0.299 118 G HA3 0.522 4.487 3.960 0.008 0.000 0.299 118 G C -2.692 172.203 174.900 -0.009 0.000 1.315 118 G CA -1.283 43.815 45.100 -0.004 0.000 1.045 118 G HN -0.040 nan 8.290 nan 0.000 0.517 119 P HA 0.276 nan 4.420 nan 0.000 0.273 119 P C -2.299 174.998 177.300 -0.006 0.000 1.250 119 P CA -0.735 62.358 63.100 -0.013 0.000 0.793 119 P CB -0.070 31.625 31.700 -0.008 0.000 1.011 120 P HA 0.223 nan 4.420 nan 0.000 0.272 120 P C -2.394 174.912 177.300 0.011 0.000 1.230 120 P CA -1.060 62.042 63.100 0.003 0.000 0.788 120 P CB -1.036 30.669 31.700 0.008 0.000 0.949 121 P HA -0.032 nan 4.420 nan 0.000 0.263 121 P C 0.610 177.921 177.300 0.018 0.000 1.195 121 P CA 0.450 63.557 63.100 0.013 0.000 0.762 121 P CB 0.212 31.919 31.700 0.012 0.000 0.799 122 A N 3.902 126.733 122.820 0.018 0.000 1.985 122 A HA -0.303 4.022 4.320 0.008 0.000 0.223 122 A C 2.128 179.724 177.584 0.020 0.000 1.189 122 A CA 2.239 54.289 52.037 0.022 0.000 0.658 122 A CB -0.936 18.076 19.000 0.019 0.000 0.820 122 A HN 0.534 nan 8.150 nan 0.000 0.464 123 E N -0.670 119.539 120.200 0.015 0.000 2.112 123 E HA -0.142 4.212 4.350 0.008 0.000 0.190 123 E C 2.157 178.767 176.600 0.017 0.000 0.979 123 E CA 1.428 57.836 56.400 0.012 0.000 0.814 123 E CB -0.351 29.355 29.700 0.009 0.000 0.762 123 E HN 0.728 nan 8.360 nan 0.000 0.460 124 Q N -0.361 119.451 119.800 0.020 0.000 2.119 124 Q HA -0.130 4.215 4.340 0.008 0.000 0.201 124 Q C 2.091 178.113 176.000 0.036 0.000 0.972 124 Q CA 1.265 57.083 55.803 0.024 0.000 0.847 124 Q CB -0.121 28.629 28.738 0.020 0.000 0.903 124 Q HN 0.351 nan 8.270 nan 0.000 0.433 125 L N 0.436 121.684 121.223 0.041 0.000 2.093 125 L HA -0.147 4.198 4.340 0.008 0.000 0.208 125 L C 2.014 178.927 176.870 0.071 0.000 1.085 125 L CA 1.285 56.166 54.840 0.069 0.000 0.755 125 L CB -0.655 41.451 42.059 0.079 0.000 0.904 125 L HN 0.283 nan 8.230 nan 0.000 0.435 126 L N -0.330 120.913 121.223 0.033 0.000 2.017 126 L HA -0.168 4.177 4.340 0.008 0.000 0.208 126 L C 2.826 179.701 176.870 0.008 0.000 1.073 126 L CA 2.184 57.022 54.840 -0.003 0.000 0.745 126 L CB -1.366 40.687 42.059 -0.009 0.000 0.894 126 L HN 0.646 nan 8.230 nan 0.000 0.432 127 S N -1.319 114.396 115.700 0.025 0.000 2.382 127 S HA -0.234 4.241 4.470 0.008 0.000 0.228 127 S C 1.773 176.410 174.600 0.061 0.000 1.027 127 S CA 0.982 59.202 58.200 0.034 0.000 0.991 127 S CB -0.432 62.786 63.200 0.031 0.000 0.823 127 S HN 0.539 nan 8.310 nan 0.000 0.469 128 Q N 1.192 121.037 119.800 0.075 0.000 2.079 128 Q HA 0.095 4.440 4.340 0.008 0.000 0.200 128 Q C 2.649 178.751 176.000 0.171 0.000 0.974 128 Q CA 1.291 57.161 55.803 0.112 0.000 0.840 128 Q CB -0.509 28.289 28.738 0.101 0.000 0.898 128 Q HN 0.752 nan 8.270 nan 0.000 0.430 129 A N 1.434 124.338 122.820 0.141 0.000 1.877 129 A HA -0.186 4.139 4.320 0.008 0.000 0.216 129 A C 2.027 179.669 177.584 0.096 0.000 1.186 129 A CA 1.224 53.329 52.037 0.113 0.000 0.620 129 A CB -0.393 18.450 19.000 -0.262 0.000 0.822 129 A HN 0.189 nan 8.150 nan 0.000 0.443 130 R N -0.649 119.876 120.500 0.042 0.000 2.081 130 R HA -0.171 4.174 4.340 0.008 0.000 0.235 130 R C 1.998 178.364 176.300 0.110 0.000 1.131 130 R CA 1.653 57.786 56.100 0.054 0.000 0.960 130 R CB -0.460 29.856 30.300 0.026 0.000 0.856 130 R HN 0.717 nan 8.270 nan 0.000 0.436 131 D N 0.107 120.584 120.400 0.129 0.000 2.097 131 D HA -0.201 4.444 4.640 0.008 0.000 0.195 131 D C 1.647 178.064 176.300 0.195 0.000 0.989 131 D CA 0.952 55.038 54.000 0.144 0.000 0.827 131 D CB -0.063 40.818 40.800 0.136 0.000 0.966 131 D HN 0.112 nan 8.370 nan 0.000 0.456 132 F N 0.904 120.939 119.950 0.141 0.000 2.102 132 F HA -0.085 4.446 4.527 0.007 0.000 0.298 132 F C 1.929 177.861 175.800 0.220 0.000 1.105 132 F CA 1.021 59.139 58.000 0.198 0.000 1.239 132 F CB -0.303 38.826 39.000 0.214 0.000 0.991 132 F HN -0.006 nan 8.300 nan 0.000 0.474 133 I N 0.893 121.418 120.570 -0.075 0.000 2.286 133 I HA -0.303 3.872 4.170 0.008 0.000 0.248 133 I C 1.975 178.072 176.117 -0.033 0.000 1.115 133 I CA 1.181 62.433 61.300 -0.080 0.000 1.392 133 I CB -1.652 36.424 38.000 0.126 0.000 1.065 133 I HN 0.227 nan 8.210 nan 0.000 0.418 134 N N 0.933 119.659 118.700 0.042 0.000 2.120 134 N HA -0.181 4.564 4.740 0.008 0.000 0.188 134 N C 1.850 177.304 175.510 -0.093 0.000 1.024 134 N CA 1.093 54.168 53.050 0.041 0.000 0.852 134 N CB -0.315 38.251 38.487 0.132 0.000 1.003 134 N HN 0.501 nan 8.380 nan 0.000 0.424 135 Q N -0.737 119.019 119.800 -0.073 0.000 2.084 135 Q HA -0.161 4.184 4.340 0.008 0.000 0.202 135 Q C 1.700 177.472 176.000 -0.380 0.000 0.978 135 Q CA 1.100 56.868 55.803 -0.058 0.000 0.844 135 Q CB -0.232 28.628 28.738 0.205 0.000 0.898 135 Q HN 0.437 nan 8.270 nan 0.000 0.426 136 Y N 0.126 119.976 120.300 -0.751 0.000 2.114 136 Y HA -0.292 4.262 4.550 0.007 0.000 0.284 136 Y C 1.708 177.059 175.900 -0.915 0.000 1.143 136 Y CA 1.561 58.959 58.100 -1.169 0.000 1.135 136 Y CB -0.487 37.324 38.460 -1.082 0.000 0.980 136 Y HN 0.080 nan 8.280 nan 0.000 0.499 137 Y N -0.381 119.454 120.300 -0.775 0.000 2.352 137 Y HA -0.192 4.364 4.550 0.009 0.000 0.292 137 Y C 2.742 178.311 175.900 -0.552 0.000 1.136 137 Y CA 1.644 59.297 58.100 -0.745 0.000 1.227 137 Y CB -0.508 37.400 38.460 -0.920 0.000 0.991 137 Y HN 0.083 nan 8.280 nan 0.000 0.545 138 S N -0.669 114.823 115.700 -0.346 0.000 2.368 138 S HA -0.204 4.271 4.470 0.008 0.000 0.224 138 S C 2.270 176.713 174.600 -0.262 0.000 1.029 138 S CA 1.331 59.402 58.200 -0.216 0.000 0.988 138 S CB -0.609 62.514 63.200 -0.128 0.000 0.838 138 S HN 0.638 nan 8.310 nan 0.000 0.462 139 S N 2.591 118.042 115.700 -0.413 0.000 2.399 139 S HA -0.063 4.412 4.470 0.008 0.000 0.231 139 S C 1.701 176.085 174.600 -0.361 0.000 1.022 139 S CA 1.143 59.131 58.200 -0.354 0.000 0.983 139 S CB -0.832 62.057 63.200 -0.520 0.000 0.803 139 S HN 0.735 nan 8.310 nan 0.000 0.480 140 I N -3.107 117.141 120.570 -0.536 0.000 3.875 140 I HA 0.376 4.551 4.170 0.008 0.000 0.329 140 I C -0.267 175.702 176.117 -0.247 0.000 1.295 140 I CA -0.417 60.633 61.300 -0.416 0.000 1.129 140 I CB -0.143 37.499 38.000 -0.597 0.000 1.008 140 I HN -0.118 nan 8.210 nan 0.000 0.413 141 K N 2.196 122.473 120.400 -0.205 0.000 3.096 141 K HA -0.143 4.182 4.320 0.008 0.000 0.266 141 K C -0.163 176.398 176.600 -0.065 0.000 1.043 141 K CA 0.463 56.683 56.287 -0.111 0.000 0.758 141 K CB -1.537 30.914 32.500 -0.081 0.000 1.260 141 K HN 0.557 nan 8.250 nan 0.000 0.481 142 R N -0.647 119.828 120.500 -0.042 0.000 2.642 142 R HA 0.089 4.434 4.340 0.008 0.000 0.435 142 R C 0.080 176.435 176.300 0.092 0.000 1.046 142 R CA -0.303 55.826 56.100 0.049 0.000 1.103 142 R CB 0.834 31.217 30.300 0.139 0.000 1.425 142 R HN 0.165 nan 8.270 nan 0.000 0.586 143 S N 0.035 115.771 115.700 0.059 0.000 2.515 143 S HA 0.311 4.786 4.470 0.008 0.000 0.285 143 S C 1.316 176.022 174.600 0.177 0.000 1.265 143 S CA 1.407 59.703 58.200 0.160 0.000 1.079 143 S CB 0.240 63.483 63.200 0.071 0.000 0.877 143 S HN 0.747 nan 8.310 nan 0.000 0.493 144 G N 3.297 112.261 108.800 0.274 0.000 2.195 144 G HA2 -0.276 3.689 3.960 0.008 0.000 0.246 144 G HA3 -0.276 3.689 3.960 0.008 0.000 0.246 144 G C 0.307 175.171 174.900 -0.060 0.000 0.984 144 G CA 0.340 45.425 45.100 -0.024 0.000 0.633 144 G HN 1.536 nan 8.290 nan 0.000 0.525 145 S N -0.524 115.171 115.700 -0.008 0.000 2.617 145 S HA 0.440 4.915 4.470 0.008 0.000 0.259 145 S C 1.356 175.906 174.600 -0.083 0.000 1.301 145 S CA 0.776 58.956 58.200 -0.034 0.000 0.984 145 S CB 1.321 64.522 63.200 0.001 0.000 0.954 145 S HN 0.537 nan 8.310 nan 0.000 0.572 146 Q N 0.355 120.119 119.800 -0.060 0.000 2.079 146 Q HA -0.103 4.242 4.340 0.008 0.000 0.200 146 Q C 2.262 178.214 176.000 -0.079 0.000 0.974 146 Q CA 1.461 57.224 55.803 -0.066 0.000 0.840 146 Q CB -0.779 27.938 28.738 -0.035 0.000 0.898 146 Q HN 0.923 nan 8.270 nan 0.000 0.430 147 A N 0.142 122.928 122.820 -0.057 0.000 1.933 147 A HA -0.250 4.075 4.320 0.008 0.000 0.218 147 A C 1.861 179.280 177.584 -0.275 0.000 1.175 147 A CA 1.752 53.766 52.037 -0.038 0.000 0.628 147 A CB -1.005 18.062 19.000 0.112 0.000 0.814 147 A HN 0.712 nan 8.150 nan 0.000 0.444 148 H N -0.777 117.854 119.070 -0.732 0.000 2.299 148 H HA -0.097 4.464 4.556 0.009 0.000 0.302 148 H C 1.867 176.864 175.328 -0.551 0.000 1.078 148 H CA 1.170 56.475 56.048 -1.239 0.000 1.323 148 H CB 0.128 29.352 29.762 -0.898 0.000 1.381 148 H HN 0.399 nan 8.280 nan 0.000 0.498 149 E N 0.665 120.682 120.200 -0.305 0.000 2.204 149 E HA -0.147 4.208 4.350 0.008 0.000 0.194 149 E C 2.007 178.525 176.600 -0.137 0.000 0.989 149 E CA 0.845 57.093 56.400 -0.254 0.000 0.824 149 E CB -0.055 29.517 29.700 -0.212 0.000 0.756 149 E HN 0.696 nan 8.360 nan 0.000 0.477 150 E N 0.379 120.518 120.200 -0.102 0.000 2.107 150 E HA -0.132 4.223 4.350 0.008 0.000 0.191 150 E C 2.144 178.739 176.600 -0.010 0.000 0.982 150 E CA 0.547 56.922 56.400 -0.043 0.000 0.809 150 E CB 0.018 29.706 29.700 -0.019 0.000 0.756 150 E HN -0.077 nan 8.360 nan 0.000 0.459 151 R N 1.135 121.638 120.500 0.005 0.000 2.092 151 R HA -0.066 4.279 4.340 0.008 0.000 0.231 151 R C 2.024 178.352 176.300 0.047 0.000 1.119 151 R CA 1.033 57.181 56.100 0.081 0.000 0.970 151 R CB -0.417 30.013 30.300 0.216 0.000 0.864 151 R HN 0.141 nan 8.270 nan 0.000 0.440 152 L N -0.001 121.228 121.223 0.011 0.000 2.083 152 L HA -0.182 4.163 4.340 0.008 0.000 0.209 152 L C 2.443 179.290 176.870 -0.039 0.000 1.083 152 L CA 1.566 56.395 54.840 -0.018 0.000 0.752 152 L CB -0.365 41.662 42.059 -0.053 0.000 0.899 152 L HN 0.317 nan 8.230 nan 0.000 0.433 153 Q N -0.511 119.267 119.800 -0.036 0.000 2.083 153 Q HA -0.237 4.108 4.340 0.008 0.000 0.198 153 Q C 2.116 178.109 176.000 -0.011 0.000 0.969 153 Q CA 1.403 57.189 55.803 -0.028 0.000 0.838 153 Q CB -0.073 28.648 28.738 -0.028 0.000 0.900 153 Q HN 0.454 nan 8.270 nan 0.000 0.436 154 E N 0.350 120.554 120.200 0.006 0.000 2.110 154 E HA -0.176 4.179 4.350 0.008 0.000 0.193 154 E C 1.882 178.499 176.600 0.028 0.000 0.988 154 E CA 1.115 57.533 56.400 0.030 0.000 0.804 154 E CB 0.201 29.933 29.700 0.055 0.000 0.745 154 E HN 0.137 nan 8.360 nan 0.000 0.458 155 V N 1.234 121.139 119.914 -0.015 0.000 2.427 155 V HA -0.205 3.919 4.120 0.008 0.000 0.248 155 V C 1.981 178.015 176.094 -0.100 0.000 1.051 155 V CA 1.977 64.213 62.300 -0.107 0.000 1.048 155 V CB -0.400 31.244 31.823 -0.297 0.000 0.666 155 V HN 0.273 nan 8.190 nan 0.000 0.456 156 E N 0.347 120.506 120.200 -0.067 0.000 2.107 156 E HA -0.106 4.248 4.350 0.008 0.000 0.191 156 E C 2.332 178.927 176.600 -0.007 0.000 0.982 156 E CA 1.151 57.526 56.400 -0.043 0.000 0.809 156 E CB -0.288 29.389 29.700 -0.037 0.000 0.756 156 E HN 0.591 nan 8.360 nan 0.000 0.459 157 A N 1.425 124.247 122.820 0.005 0.000 1.898 157 A HA -0.235 4.090 4.320 0.008 0.000 0.216 157 A C 2.055 179.664 177.584 0.042 0.000 1.181 157 A CA 1.502 53.552 52.037 0.021 0.000 0.620 157 A CB -0.378 18.636 19.000 0.023 0.000 0.819 157 A HN 0.212 nan 8.150 nan 0.000 0.442 158 E N -0.294 119.942 120.200 0.061 0.000 2.051 158 E HA -0.126 4.229 4.350 0.008 0.000 0.192 158 E C 1.809 178.469 176.600 0.099 0.000 0.991 158 E CA 1.400 57.862 56.400 0.102 0.000 0.799 158 E CB -0.082 29.715 29.700 0.162 0.000 0.748 158 E HN 0.306 nan 8.360 nan 0.000 0.449 159 V N 0.921 120.884 119.914 0.081 0.000 2.626 159 V HA -0.201 3.924 4.120 0.008 0.000 0.252 159 V C 2.257 178.380 176.094 0.049 0.000 1.067 159 V CA 1.549 63.894 62.300 0.074 0.000 1.081 159 V CB -0.410 31.444 31.823 0.051 0.000 0.686 159 V HN 0.400 nan 8.190 nan 0.000 0.468 160 A N 0.609 123.451 122.820 0.036 0.000 1.897 160 A HA -0.144 4.180 4.320 0.008 0.000 0.215 160 A C 2.479 180.082 177.584 0.033 0.000 1.181 160 A CA 1.998 54.051 52.037 0.028 0.000 0.620 160 A CB -0.469 18.543 19.000 0.019 0.000 0.821 160 A HN 0.656 nan 8.150 nan 0.000 0.443 161 S N -1.324 114.400 115.700 0.041 0.000 2.470 161 S HA -0.051 4.424 4.470 0.008 0.000 0.222 161 S C 1.644 176.273 174.600 0.048 0.000 1.024 161 S CA 1.408 59.633 58.200 0.042 0.000 0.931 161 S CB -0.505 62.721 63.200 0.043 0.000 0.791 161 S HN 0.737 nan 8.310 nan 0.000 0.513 162 T N -3.568 111.023 114.554 0.061 0.000 2.959 162 T HA 0.528 4.882 4.350 0.008 0.000 0.254 162 T C 1.578 176.309 174.700 0.053 0.000 1.003 162 T CA 0.752 62.891 62.100 0.065 0.000 0.950 162 T CB 0.121 69.046 68.868 0.096 0.000 1.090 162 T HN 1.162 nan 8.240 nan 0.000 0.503 163 G N 0.289 109.119 108.800 0.050 0.000 2.159 163 G HA2 -0.163 3.802 3.960 0.008 0.000 0.256 163 G HA3 -0.163 3.802 3.960 0.008 0.000 0.256 163 G C 0.171 175.096 174.900 0.042 0.000 0.977 163 G CA 0.553 45.677 45.100 0.040 0.000 0.652 163 G HN 1.054 nan 8.290 nan 0.000 0.531 164 T N -1.527 113.060 114.554 0.056 0.000 2.661 164 T HA 0.673 5.028 4.350 0.008 0.000 0.305 164 T C -1.354 173.410 174.700 0.107 0.000 1.441 164 T CA 0.405 62.529 62.100 0.040 0.000 0.999 164 T CB 1.346 70.158 68.868 -0.094 0.000 1.650 164 T HN 1.587 nan 8.240 nan 0.000 0.489 165 Y N -0.552 119.638 120.300 -0.183 0.000 2.728 165 Y HA 0.871 5.425 4.550 0.008 0.000 0.330 165 Y C -1.433 174.239 175.900 -0.380 0.000 1.234 165 Y CA -1.125 56.889 58.100 -0.144 0.000 1.070 165 Y CB 0.832 39.288 38.460 -0.006 0.000 1.300 165 Y HN 0.801 nan 8.280 nan 0.000 0.467 166 H N 0.414 119.518 119.070 0.057 0.000 2.690 166 H HA 0.657 5.218 4.556 0.008 0.000 0.368 166 H C -1.081 174.303 175.328 0.094 0.000 1.150 166 H CA -0.816 55.212 56.048 -0.034 0.000 1.174 166 H CB 2.021 31.800 29.762 0.029 0.000 1.684 166 H HN 0.698 nan 8.280 nan 0.000 0.538 167 L N 2.367 123.683 121.223 0.155 0.000 2.357 167 L HA 0.473 4.817 4.340 0.008 0.000 0.273 167 L C 0.620 177.568 176.870 0.130 0.000 1.080 167 L CA -0.765 54.186 54.840 0.185 0.000 0.803 167 L CB 0.866 43.014 42.059 0.147 0.000 1.174 167 L HN 0.456 nan 8.230 nan 0.000 0.443 168 R N 1.006 121.553 120.500 0.079 0.000 2.637 168 R HA 0.030 4.375 4.340 0.008 0.000 0.269 168 R C 1.097 177.391 176.300 -0.010 0.000 1.089 168 R CA -0.477 55.636 56.100 0.022 0.000 1.177 168 R CB 0.749 31.033 30.300 -0.027 0.000 1.091 168 R HN 0.670 nan 8.270 nan 0.000 0.540 169 E N 1.099 121.291 120.200 -0.013 0.000 2.058 169 E HA -0.226 4.129 4.350 0.008 0.000 0.194 169 E C 1.543 178.124 176.600 -0.031 0.000 0.997 169 E CA 2.139 58.525 56.400 -0.024 0.000 0.801 169 E CB 0.091 29.781 29.700 -0.017 0.000 0.746 169 E HN 0.676 nan 8.360 nan 0.000 0.450 170 S N 0.166 115.842 115.700 -0.039 0.000 2.402 170 S HA -0.147 4.328 4.470 0.008 0.000 0.229 170 S C 1.730 176.300 174.600 -0.050 0.000 1.021 170 S CA 1.164 59.360 58.200 -0.007 0.000 0.974 170 S CB -0.268 62.956 63.200 0.040 0.000 0.800 170 S HN 0.331 nan 8.310 nan 0.000 0.484 171 E N 0.916 120.965 120.200 -0.252 0.000 2.107 171 E HA -0.025 4.330 4.350 0.008 0.000 0.191 171 E C 2.033 178.760 176.600 0.211 0.000 0.982 171 E CA 0.997 57.282 56.400 -0.192 0.000 0.809 171 E CB -0.325 29.256 29.700 -0.198 0.000 0.756 171 E HN 0.441 nan 8.360 nan 0.000 0.459 172 L N 0.953 122.206 121.223 0.049 0.000 2.046 172 L HA -0.142 4.203 4.340 0.008 0.000 0.208 172 L C 2.200 179.042 176.870 -0.046 0.000 1.077 172 L CA 1.362 56.168 54.840 -0.057 0.000 0.747 172 L CB -0.259 41.714 42.059 -0.143 0.000 0.896 172 L HN -0.074 nan 8.230 nan 0.000 0.432 173 V N -0.399 119.522 119.914 0.011 0.000 2.407 173 V HA -0.287 3.837 4.120 0.008 0.000 0.248 173 V C 2.309 178.479 176.094 0.128 0.000 1.055 173 V CA 1.998 64.315 62.300 0.030 0.000 1.049 173 V CB -0.965 30.881 31.823 0.038 0.000 0.662 173 V HN 0.583 nan 8.190 nan 0.000 0.455 174 F N 2.207 122.227 119.950 0.117 0.000 2.113 174 F HA 0.017 4.548 4.527 0.007 0.000 0.297 174 F C 2.197 178.126 175.800 0.214 0.000 1.103 174 F CA 1.743 59.872 58.000 0.215 0.000 1.248 174 F CB -0.969 38.237 39.000 0.344 0.000 0.999 174 F HN 0.118 nan 8.300 nan 0.000 0.475 175 G N -0.150 108.644 108.800 -0.011 0.000 2.422 175 G HA2 -0.193 3.772 3.960 0.008 0.000 0.218 175 G HA3 -0.193 3.772 3.960 0.008 0.000 0.218 175 G C 1.802 176.512 174.900 -0.317 0.000 1.146 175 G CA 0.818 45.770 45.100 -0.245 0.000 0.769 175 G HN 0.654 nan 8.290 nan 0.000 0.547 176 A N 0.815 123.500 122.820 -0.224 0.000 1.902 176 A HA 0.017 4.342 4.320 0.008 0.000 0.217 176 A C 2.301 179.857 177.584 -0.047 0.000 1.181 176 A CA 1.897 53.821 52.037 -0.189 0.000 0.623 176 A CB -0.325 18.597 19.000 -0.130 0.000 0.818 176 A HN 0.368 nan 8.150 nan 0.000 0.443 177 K N -0.803 119.607 120.400 0.016 0.000 2.097 177 K HA -0.111 4.214 4.320 0.008 0.000 0.205 177 K C 2.285 178.935 176.600 0.084 0.000 1.050 177 K CA 1.198 57.607 56.287 0.204 0.000 0.938 177 K CB -0.106 32.567 32.500 0.288 0.000 0.718 177 K HN 0.382 nan 8.250 nan 0.000 0.442 178 Q N 0.180 119.839 119.800 -0.235 0.000 2.119 178 Q HA -0.072 4.273 4.340 0.008 0.000 0.201 178 Q C 2.181 178.021 176.000 -0.267 0.000 0.972 178 Q CA 1.424 56.997 55.803 -0.384 0.000 0.847 178 Q CB -0.229 28.163 28.738 -0.578 0.000 0.903 178 Q HN 0.309 nan 8.270 nan 0.000 0.433 179 A N 0.214 122.870 122.820 -0.273 0.000 1.908 179 A HA -0.192 4.132 4.320 0.008 0.000 0.218 179 A C 1.808 179.395 177.584 0.005 0.000 1.181 179 A CA 1.456 53.285 52.037 -0.346 0.000 0.627 179 A CB -0.947 17.508 19.000 -0.908 0.000 0.818 179 A HN 0.541 nan 8.150 nan 0.000 0.445 180 W N 0.872 122.162 121.300 -0.016 0.000 2.381 180 W HA -0.090 4.574 4.660 0.006 0.000 0.301 180 W C 2.325 178.805 176.519 -0.064 0.000 1.205 180 W CA 1.410 58.791 57.345 0.059 0.000 1.285 180 W CB -0.666 28.832 29.460 0.063 0.000 1.133 180 W HN 0.367 nan 8.180 nan 0.000 0.521 181 R N 0.371 120.802 120.500 -0.114 0.000 2.105 181 R HA -0.188 4.157 4.340 0.008 0.000 0.239 181 R C 1.545 177.681 176.300 -0.274 0.000 1.135 181 R CA 1.847 57.661 56.100 -0.475 0.000 0.967 181 R CB -0.529 29.194 30.300 -0.962 0.000 0.861 181 R HN 0.084 nan 8.270 nan 0.000 0.442 182 N N 0.348 118.940 118.700 -0.181 0.000 2.463 182 N HA 0.018 4.763 4.740 0.008 0.000 0.181 182 N C -0.283 175.173 175.510 -0.089 0.000 1.078 182 N CA 0.671 53.637 53.050 -0.141 0.000 0.902 182 N CB 0.305 38.708 38.487 -0.140 0.000 0.970 182 N HN 0.173 nan 8.380 nan 0.000 0.451 183 A N 2.121 124.938 122.820 -0.005 0.000 2.500 183 A HA 0.186 4.511 4.320 0.008 0.000 0.285 183 A C -1.217 176.341 177.584 -0.043 0.000 1.183 183 A CA -0.858 51.178 52.037 -0.001 0.000 0.851 183 A CB 0.206 19.258 19.000 0.086 0.000 1.091 183 A HN 0.033 nan 8.150 nan 0.000 0.521 184 P HA -0.140 nan 4.420 nan 0.000 0.218 184 P C 1.041 178.275 177.300 -0.111 0.000 1.148 184 P CA 1.228 64.254 63.100 -0.123 0.000 0.822 184 P CB 0.137 31.726 31.700 -0.185 0.000 0.784 185 R N -2.133 118.257 120.500 -0.182 0.000 2.317 185 R HA 0.154 4.499 4.340 0.008 0.000 0.208 185 R C 0.219 176.508 176.300 -0.019 0.000 0.914 185 R CA -0.147 55.857 56.100 -0.160 0.000 1.060 185 R CB -0.510 29.471 30.300 -0.532 0.000 1.015 185 R HN 0.181 nan 8.270 nan 0.000 0.498 186 C N 0.463 119.753 119.300 -0.017 0.000 2.285 186 C HA 0.244 4.709 4.460 0.008 0.000 0.335 186 C C 1.795 176.763 174.990 -0.037 0.000 1.267 186 C CA -0.680 58.359 59.018 0.036 0.000 1.762 186 C CB 0.671 28.502 27.740 0.152 0.000 2.365 186 C HN 0.298 nan 8.230 nan 0.000 0.527 187 V N 5.930 125.782 119.914 -0.104 0.000 3.541 187 V HA 0.231 4.356 4.120 0.008 0.000 0.267 187 V C 1.734 177.856 176.094 0.047 0.000 1.213 187 V CA 1.964 64.110 62.300 -0.257 0.000 1.149 187 V CB -0.032 31.641 31.823 -0.249 0.000 0.822 187 V HN 1.070 nan 8.190 nan 0.000 0.462 188 G N -0.612 108.250 108.800 0.104 0.000 3.371 188 G HA2 0.052 4.016 3.960 0.008 0.000 0.248 188 G HA3 0.052 4.016 3.960 0.008 0.000 0.248 188 G C 1.212 176.169 174.900 0.096 0.000 1.161 188 G CA -0.340 44.836 45.100 0.127 0.000 0.796 188 G HN 0.427 nan 8.290 nan 0.000 0.539 189 R N -0.141 120.342 120.500 -0.028 0.000 2.341 189 R HA 0.090 4.435 4.340 0.008 0.000 0.213 189 R C 1.949 177.832 176.300 -0.694 0.000 1.082 189 R CA 0.221 56.011 56.100 -0.516 0.000 1.017 189 R CB -0.161 29.808 30.300 -0.553 0.000 0.860 189 R HN 0.448 nan 8.270 nan 0.000 0.473 190 I N 0.866 121.217 120.570 -0.364 0.000 2.756 190 I HA -0.221 3.954 4.170 0.008 0.000 0.262 190 I C 1.189 177.213 176.117 -0.154 0.000 1.225 190 I CA 1.188 62.416 61.300 -0.120 0.000 1.472 190 I CB 0.165 38.198 38.000 0.055 0.000 1.094 190 I HN 0.212 nan 8.210 nan 0.000 0.454 191 Q N 0.436 120.078 119.800 -0.264 0.000 2.360 191 Q HA -0.086 4.258 4.340 0.008 0.000 0.202 191 Q C 1.627 177.209 176.000 -0.698 0.000 0.915 191 Q CA 0.264 55.900 55.803 -0.278 0.000 0.943 191 Q CB -0.172 28.564 28.738 -0.003 0.000 1.064 191 Q HN 0.775 nan 8.270 nan 0.000 0.511 192 W N 0.456 121.049 121.300 -1.178 0.000 2.296 192 W HA -0.176 4.491 4.660 0.011 0.000 0.296 192 W C 1.121 177.345 176.519 -0.490 0.000 1.220 192 W CA 1.300 57.830 57.345 -1.358 0.000 1.223 192 W CB -1.243 27.596 29.460 -1.035 0.000 1.139 192 W HN 0.080 nan 8.180 nan 0.000 0.534 193 G N 1.082 109.125 108.800 -1.262 0.000 2.650 193 G HA2 -0.165 3.800 3.960 0.008 0.000 0.214 193 G HA3 -0.165 3.800 3.960 0.008 0.000 0.214 193 G C 0.783 175.448 174.900 -0.392 0.000 1.136 193 G CA 0.016 44.492 45.100 -1.040 0.000 0.789 193 G HN 0.251 nan 8.290 nan 0.000 0.536 194 K N 0.218 120.486 120.400 -0.220 0.000 2.356 194 K HA 0.535 4.859 4.320 0.008 0.000 0.243 194 K C -1.649 175.051 176.600 0.167 0.000 1.072 194 K CA -0.640 55.639 56.287 -0.013 0.000 1.014 194 K CB 0.355 32.870 32.500 0.025 0.000 1.523 194 K HN 0.074 nan 8.250 nan 0.000 0.455 195 L N 3.012 124.312 121.223 0.128 0.000 2.470 195 L HA 0.319 4.664 4.340 0.008 0.000 0.268 195 L C -1.391 175.468 176.870 -0.018 0.000 0.964 195 L CA -0.418 54.509 54.840 0.145 0.000 0.839 195 L CB 1.990 44.208 42.059 0.265 0.000 1.276 195 L HN 0.440 nan 8.230 nan 0.000 0.403 196 Q N 3.474 123.210 119.800 -0.107 0.000 2.337 196 Q HA 0.470 4.815 4.340 0.008 0.000 0.255 196 Q C -1.542 174.127 176.000 -0.552 0.000 0.997 196 Q CA -0.123 55.454 55.803 -0.376 0.000 0.925 196 Q CB 1.124 29.563 28.738 -0.499 0.000 1.212 196 Q HN 0.511 nan 8.270 nan 0.000 0.436 197 V N 6.596 126.227 119.914 -0.471 0.000 2.320 197 V HA 0.300 4.425 4.120 0.008 0.000 0.265 197 V C -0.560 175.263 176.094 -0.451 0.000 1.048 197 V CA -0.514 61.557 62.300 -0.381 0.000 0.865 197 V CB -0.350 31.349 31.823 -0.207 0.000 1.043 197 V HN 0.631 nan 8.190 nan 0.000 0.474 198 F N 2.773 122.576 119.950 -0.244 0.000 2.444 198 F HA 0.277 4.806 4.527 0.003 0.000 0.360 198 F C 0.850 176.464 175.800 -0.310 0.000 1.106 198 F CA -0.639 57.206 58.000 -0.259 0.000 1.170 198 F CB 0.441 39.285 39.000 -0.260 0.000 1.113 198 F HN 0.400 nan 8.300 nan 0.000 0.521 199 D N 3.333 123.682 120.400 -0.086 0.000 2.336 199 D HA 0.342 4.987 4.640 0.008 0.000 0.249 199 D C 0.049 176.164 176.300 -0.308 0.000 1.213 199 D CA 0.185 54.072 54.000 -0.188 0.000 0.870 199 D CB 1.237 41.969 40.800 -0.112 0.000 1.076 199 D HN 0.649 nan 8.370 nan 0.000 0.483 200 A N 4.630 127.123 122.820 -0.544 0.000 2.631 200 A HA 0.148 4.473 4.320 0.008 0.000 0.294 200 A C 1.435 178.744 177.584 -0.458 0.000 1.156 200 A CA -0.399 51.106 52.037 -0.887 0.000 0.963 200 A CB 0.106 18.076 19.000 -1.717 0.000 1.202 200 A HN 0.535 nan 8.150 nan 0.000 0.523 201 R N 0.566 120.925 120.500 -0.236 0.000 2.339 201 R HA -0.067 4.278 4.340 0.008 0.000 0.199 201 R C 0.572 176.845 176.300 -0.044 0.000 1.018 201 R CA 1.159 57.202 56.100 -0.095 0.000 1.036 201 R CB 0.068 30.369 30.300 0.002 0.000 0.899 201 R HN 0.677 nan 8.270 nan 0.000 0.473 202 D N -1.116 119.267 120.400 -0.027 0.000 2.379 202 D HA -0.056 4.589 4.640 0.008 0.000 0.208 202 D C 0.373 176.741 176.300 0.113 0.000 1.065 202 D CA -0.338 53.694 54.000 0.054 0.000 0.848 202 D CB -0.504 40.345 40.800 0.083 0.000 0.949 202 D HN -0.040 nan 8.370 nan 0.000 0.509 203 C N 2.044 121.405 119.300 0.101 0.000 2.523 203 C HA 0.254 4.719 4.460 0.008 0.000 0.406 203 C C 1.791 176.935 174.990 0.256 0.000 1.449 203 C CA 0.804 59.953 59.018 0.218 0.000 1.588 203 C CB -0.863 27.017 27.740 0.232 0.000 2.514 203 C HN 0.495 nan 8.230 nan 0.000 0.606 204 S N 2.626 118.509 115.700 0.305 0.000 2.666 204 S HA 0.296 4.771 4.470 0.008 0.000 0.239 204 S C 0.097 174.864 174.600 0.278 0.000 1.031 204 S CA 0.277 58.669 58.200 0.320 0.000 1.015 204 S CB -0.081 63.238 63.200 0.198 0.000 0.981 204 S HN 1.201 nan 8.310 nan 0.000 0.547 205 S N -0.492 115.376 115.700 0.281 0.000 2.596 205 S HA 0.810 5.285 4.470 0.008 0.000 0.270 205 S C 0.776 175.479 174.600 0.172 0.000 1.155 205 S CA -0.338 57.972 58.200 0.182 0.000 0.827 205 S CB 0.968 64.249 63.200 0.134 0.000 1.130 205 S HN 0.442 nan 8.310 nan 0.000 0.467 206 A N 0.672 123.562 122.820 0.117 0.000 1.933 206 A HA -0.069 4.256 4.320 0.008 0.000 0.218 206 A C 2.108 179.689 177.584 -0.004 0.000 1.175 206 A CA 2.160 54.250 52.037 0.089 0.000 0.628 206 A CB -1.181 17.934 19.000 0.191 0.000 0.814 206 A HN 0.885 nan 8.150 nan 0.000 0.444 207 Q N 0.181 120.064 119.800 0.139 0.000 2.084 207 Q HA -0.197 4.148 4.340 0.008 0.000 0.202 207 Q C 1.889 177.906 176.000 0.028 0.000 0.978 207 Q CA 2.345 58.215 55.803 0.111 0.000 0.844 207 Q CB -0.353 28.506 28.738 0.203 0.000 0.898 207 Q HN 0.758 nan 8.270 nan 0.000 0.426 208 E N -1.012 119.238 120.200 0.084 0.000 2.152 208 E HA -0.126 4.229 4.350 0.008 0.000 0.192 208 E C 1.874 178.589 176.600 0.192 0.000 0.983 208 E CA 0.844 57.310 56.400 0.110 0.000 0.818 208 E CB -0.055 29.755 29.700 0.182 0.000 0.758 208 E HN 0.450 nan 8.360 nan 0.000 0.467 209 M N -0.122 119.557 119.600 0.132 0.000 2.149 209 M HA -0.153 4.331 4.480 0.008 0.000 0.261 209 M C 2.063 178.415 176.300 0.087 0.000 1.064 209 M CA 1.211 56.542 55.300 0.053 0.000 1.102 209 M CB -0.291 32.127 32.600 -0.304 0.000 1.369 209 M HN 0.195 nan 8.290 nan 0.000 0.408 210 F N 1.196 120.949 119.950 -0.329 0.000 2.134 210 F HA -0.177 4.357 4.527 0.011 0.000 0.299 210 F C 2.299 177.991 175.800 -0.180 0.000 1.097 210 F CA 1.795 59.541 58.000 -0.423 0.000 1.264 210 F CB -0.796 37.629 39.000 -0.958 0.000 1.001 210 F HN 0.040 nan 8.300 nan 0.000 0.479 211 T N -0.461 113.932 114.554 -0.269 0.000 2.708 211 T HA -0.230 4.125 4.350 0.008 0.000 0.266 211 T C 1.735 176.259 174.700 -0.293 0.000 1.037 211 T CA 1.842 63.728 62.100 -0.357 0.000 1.146 211 T CB -0.743 67.956 68.868 -0.282 0.000 0.865 211 T HN 0.259 nan 8.240 nan 0.000 0.435 212 Y N 1.108 121.354 120.300 -0.091 0.000 2.181 212 Y HA -0.020 4.534 4.550 0.006 0.000 0.288 212 Y C 2.256 178.107 175.900 -0.081 0.000 1.146 212 Y CA 0.415 58.470 58.100 -0.075 0.000 1.164 212 Y CB -0.594 37.916 38.460 0.084 0.000 0.982 212 Y HN 0.196 nan 8.280 nan 0.000 0.515 213 I N -1.630 119.034 120.570 0.157 0.000 2.226 213 I HA -0.367 3.808 4.170 0.008 0.000 0.245 213 I C 2.290 178.353 176.117 -0.090 0.000 1.100 213 I CA 1.130 62.464 61.300 0.056 0.000 1.374 213 I CB -0.543 37.495 38.000 0.064 0.000 1.057 213 I HN 0.263 nan 8.210 nan 0.000 0.413 214 C N 0.619 119.751 119.300 -0.280 0.000 2.425 214 C HA -0.112 4.353 4.460 0.008 0.000 0.277 214 C C 2.599 177.485 174.990 -0.174 0.000 1.280 214 C CA 0.715 59.552 59.018 -0.301 0.000 1.744 214 C CB -1.397 26.023 27.740 -0.533 0.000 1.989 214 C HN 0.542 nan 8.230 nan 0.000 0.491 215 N N -0.090 118.494 118.700 -0.194 0.000 2.188 215 N HA -0.122 4.623 4.740 0.008 0.000 0.184 215 N C 1.458 176.866 175.510 -0.170 0.000 1.018 215 N CA 1.273 54.197 53.050 -0.210 0.000 0.858 215 N CB -0.717 37.575 38.487 -0.325 0.000 0.989 215 N HN 0.752 nan 8.380 nan 0.000 0.426 216 H N 0.568 119.492 119.070 -0.244 0.000 2.293 216 H HA 0.054 4.616 4.556 0.010 0.000 0.300 216 H C 2.106 177.467 175.328 0.055 0.000 1.082 216 H CA 1.521 57.510 56.048 -0.098 0.000 1.308 216 H CB -0.034 29.720 29.762 -0.014 0.000 1.375 216 H HN 0.074 nan 8.280 nan 0.000 0.495 217 I N 0.676 121.380 120.570 0.223 0.000 2.264 217 I HA -0.270 3.905 4.170 0.008 0.000 0.248 217 I C 2.366 178.556 176.117 0.122 0.000 1.111 217 I CA 1.402 62.788 61.300 0.144 0.000 1.382 217 I CB -0.238 37.771 38.000 0.015 0.000 1.060 217 I HN 0.325 nan 8.210 nan 0.000 0.418 218 K N -0.136 120.311 120.400 0.078 0.000 2.057 218 K HA -0.206 4.119 4.320 0.008 0.000 0.206 218 K C 2.222 178.886 176.600 0.108 0.000 1.050 218 K CA 1.534 57.857 56.287 0.061 0.000 0.935 218 K CB -0.307 32.203 32.500 0.017 0.000 0.715 218 K HN 0.246 nan 8.250 nan 0.000 0.439 219 Y N 1.292 121.619 120.300 0.045 0.000 2.163 219 Y HA -0.195 4.357 4.550 0.002 0.000 0.288 219 Y C 2.187 178.165 175.900 0.130 0.000 1.136 219 Y CA 1.473 59.635 58.100 0.104 0.000 1.147 219 Y CB -0.252 38.330 38.460 0.202 0.000 0.987 219 Y HN 0.028 nan 8.280 nan 0.000 0.509 220 A N -0.699 122.291 122.820 0.284 0.000 1.898 220 A HA -0.151 4.174 4.320 0.008 0.000 0.216 220 A C 2.188 179.840 177.584 0.114 0.000 1.181 220 A CA 2.212 54.377 52.037 0.214 0.000 0.620 220 A CB -1.274 17.939 19.000 0.355 0.000 0.819 220 A HN 0.510 nan 8.150 nan 0.000 0.442 221 T N -0.255 114.363 114.554 0.107 0.000 2.737 221 T HA -0.101 4.254 4.350 0.008 0.000 0.265 221 T C 1.094 175.804 174.700 0.017 0.000 1.038 221 T CA 1.243 63.388 62.100 0.076 0.000 1.144 221 T CB -0.426 68.482 68.868 0.067 0.000 0.866 221 T HN 0.648 nan 8.240 nan 0.000 0.434 222 N N 1.161 119.847 118.700 -0.024 0.000 2.714 222 N HA -0.260 4.485 4.740 0.008 0.000 0.252 222 N C -0.247 175.238 175.510 -0.041 0.000 1.014 222 N CA 0.564 53.574 53.050 -0.067 0.000 0.735 222 N CB -1.338 37.063 38.487 -0.143 0.000 0.924 222 N HN 0.497 nan 8.380 nan 0.000 0.540 223 R N -2.355 118.132 120.500 -0.021 0.000 3.641 223 R HA -0.219 4.126 4.340 0.008 0.000 0.286 223 R C 1.301 177.584 176.300 -0.028 0.000 1.153 223 R CA 1.188 57.274 56.100 -0.023 0.000 0.775 223 R CB -1.949 28.335 30.300 -0.027 0.000 1.215 223 R HN 1.009 nan 8.270 nan 0.000 0.474 224 G N -0.315 108.475 108.800 -0.016 0.000 2.313 224 G HA2 -0.312 3.653 3.960 0.008 0.000 0.215 224 G HA3 -0.312 3.653 3.960 0.008 0.000 0.215 224 G C 0.016 174.902 174.900 -0.023 0.000 1.023 224 G CA 0.037 45.125 45.100 -0.019 0.000 0.626 224 G HN 0.333 nan 8.290 nan 0.000 0.503 225 N N 1.667 120.341 118.700 -0.044 0.000 3.124 225 N HA 0.457 5.202 4.740 0.008 0.000 0.284 225 N C 0.433 175.911 175.510 -0.053 0.000 1.209 225 N CA -0.357 52.650 53.050 -0.072 0.000 1.149 225 N CB -0.428 38.012 38.487 -0.079 0.000 1.434 225 N HN 0.293 nan 8.380 nan 0.000 0.529 226 L N 1.739 122.960 121.223 -0.004 0.000 2.543 226 L HA 0.023 4.368 4.340 0.008 0.000 0.285 226 L C 0.852 177.829 176.870 0.178 0.000 1.236 226 L CA 1.073 55.983 54.840 0.117 0.000 0.871 226 L CB 0.197 42.420 42.059 0.272 0.000 1.121 226 L HN 0.299 nan 8.230 nan 0.000 0.501 227 R N 1.491 122.104 120.500 0.189 0.000 2.532 227 R HA 0.405 4.749 4.340 0.008 0.000 0.297 227 R C -0.684 175.768 176.300 0.254 0.000 0.984 227 R CA -0.672 55.553 56.100 0.209 0.000 0.884 227 R CB 1.672 31.945 30.300 -0.044 0.000 1.182 227 R HN 0.583 nan 8.270 nan 0.000 0.442 228 S N 1.599 117.457 115.700 0.262 0.000 2.549 228 S HA 0.386 4.861 4.470 0.008 0.000 0.286 228 S C -0.133 174.513 174.600 0.076 0.000 1.314 228 S CA -0.101 58.153 58.200 0.089 0.000 1.062 228 S CB 1.047 64.253 63.200 0.011 0.000 0.865 228 S HN 0.705 nan 8.310 nan 0.000 0.498 229 A N 2.682 125.509 122.820 0.010 0.000 2.610 229 A HA 0.836 5.161 4.320 0.008 0.000 0.291 229 A C -1.242 176.318 177.584 -0.039 0.000 1.086 229 A CA -0.691 51.282 52.037 -0.106 0.000 0.677 229 A CB 1.244 20.135 19.000 -0.181 0.000 1.278 229 A HN 0.811 nan 8.150 nan 0.000 0.414 230 I N 0.317 120.848 120.570 -0.065 0.000 2.752 230 I HA 0.622 4.797 4.170 0.008 0.000 0.295 230 I C -1.299 174.872 176.117 0.090 0.000 1.219 230 I CA -0.139 61.249 61.300 0.148 0.000 1.030 230 I CB 2.409 40.485 38.000 0.127 0.000 1.259 230 I HN 0.591 nan 8.210 nan 0.000 0.423 231 T N 6.394 121.053 114.554 0.173 0.000 2.791 231 T HA 0.416 4.771 4.350 0.008 0.000 0.288 231 T C -0.656 173.854 174.700 -0.318 0.000 0.999 231 T CA -0.340 61.717 62.100 -0.073 0.000 0.952 231 T CB 1.396 70.222 68.868 -0.071 0.000 0.938 231 T HN 0.271 nan 8.240 nan 0.000 0.444 232 V N 5.321 124.983 119.914 -0.421 0.000 2.348 232 V HA 0.441 4.565 4.120 0.008 0.000 0.270 232 V C -0.309 175.490 176.094 -0.493 0.000 1.037 232 V CA -0.710 61.350 62.300 -0.399 0.000 0.872 232 V CB -0.295 31.249 31.823 -0.466 0.000 1.002 232 V HN 0.701 nan 8.190 nan 0.000 0.464 233 F N 5.319 125.187 119.950 -0.136 0.000 2.380 233 F HA 0.500 5.033 4.527 0.010 0.000 0.319 233 F C -1.798 173.898 175.800 -0.173 0.000 1.113 233 F CA -2.545 55.284 58.000 -0.285 0.000 1.056 233 F CB 0.283 39.085 39.000 -0.330 0.000 1.289 233 F HN 0.294 nan 8.300 nan 0.000 0.515 234 P HA -0.041 nan 4.420 nan 0.000 0.263 234 P C -0.874 176.468 177.300 0.069 0.000 1.175 234 P CA 0.031 63.085 63.100 -0.077 0.000 0.761 234 P CB 0.183 31.764 31.700 -0.199 0.000 0.794 235 Q N 3.674 123.426 119.800 -0.080 0.000 2.651 235 Q HA 0.118 4.463 4.340 0.008 0.000 0.224 235 Q C -0.234 175.661 176.000 -0.174 0.000 1.094 235 Q CA -0.281 55.234 55.803 -0.480 0.000 1.018 235 Q CB 0.466 28.626 28.738 -0.963 0.000 1.292 235 Q HN 0.336 nan 8.270 nan 0.000 0.588 236 R N 0.011 120.382 120.500 -0.214 0.000 2.442 236 R HA 0.371 4.716 4.340 0.008 0.000 0.291 236 R C -0.689 175.554 176.300 -0.095 0.000 1.069 236 R CA 0.213 56.261 56.100 -0.088 0.000 1.022 236 R CB 0.678 30.922 30.300 -0.093 0.000 0.976 236 R HN 0.655 nan 8.270 nan 0.000 0.443 237 A N 5.129 127.935 122.820 -0.023 0.000 2.355 237 A HA 0.547 4.872 4.320 0.008 0.000 0.324 237 A C -2.370 175.209 177.584 -0.008 0.000 1.117 237 A CA -2.035 49.993 52.037 -0.015 0.000 0.785 237 A CB 1.107 20.130 19.000 0.038 0.000 1.254 237 A HN 0.420 nan 8.150 nan 0.000 0.453 238 P HA 0.311 nan 4.420 nan 0.000 0.265 238 P C 0.685 177.991 177.300 0.009 0.000 1.222 238 P CA 1.759 64.859 63.100 -0.001 0.000 0.767 238 P CB 0.526 32.228 31.700 0.003 0.000 0.801 239 G N 2.512 111.315 108.800 0.006 0.000 2.333 239 G HA2 -0.223 3.742 3.960 0.008 0.000 0.296 239 G HA3 -0.223 3.742 3.960 0.008 0.000 0.296 239 G C -0.095 174.811 174.900 0.010 0.000 1.059 239 G CA -0.282 44.824 45.100 0.009 0.000 1.050 239 G HN 0.741 nan 8.290 nan 0.000 0.508 240 R N -0.462 120.042 120.500 0.007 0.000 2.633 240 R HA 0.504 4.849 4.340 0.008 0.000 0.255 240 R C 0.666 176.961 176.300 -0.007 0.000 1.106 240 R CA 0.051 56.153 56.100 0.003 0.000 0.959 240 R CB 0.577 30.888 30.300 0.019 0.000 1.259 240 R HN 0.892 nan 8.270 nan 0.000 0.453 241 G N 1.687 110.471 108.800 -0.027 0.000 2.716 241 G HA2 0.106 4.070 3.960 0.008 0.000 0.251 241 G HA3 0.106 4.070 3.960 0.008 0.000 0.251 241 G C -0.440 174.434 174.900 -0.043 0.000 1.224 241 G CA -0.219 44.861 45.100 -0.033 0.000 0.891 241 G HN 0.571 nan 8.290 nan 0.000 0.561 242 D N -0.978 119.411 120.400 -0.019 0.000 2.294 242 D HA 0.366 5.011 4.640 0.008 0.000 0.250 242 D C -0.532 175.762 176.300 -0.009 0.000 1.058 242 D CA -0.073 53.946 54.000 0.031 0.000 0.950 242 D CB 1.207 42.044 40.800 0.062 0.000 1.158 242 D HN 0.099 nan 8.370 nan 0.000 0.453 243 F N 1.325 121.303 119.950 0.047 0.000 2.411 243 F HA 0.317 4.850 4.527 0.010 0.000 0.355 243 F C 0.887 176.717 175.800 0.050 0.000 1.117 243 F CA -0.125 57.890 58.000 0.025 0.000 1.139 243 F CB 0.668 39.680 39.000 0.020 0.000 1.120 243 F HN -0.220 nan 8.300 nan 0.000 0.493 244 R N 4.311 124.935 120.500 0.207 0.000 2.673 244 R HA 0.530 4.875 4.340 0.008 0.000 0.281 244 R C -1.133 175.329 176.300 0.271 0.000 0.991 244 R CA -0.861 55.378 56.100 0.232 0.000 0.896 244 R CB 2.316 32.766 30.300 0.250 0.000 1.201 244 R HN 0.628 nan 8.270 nan 0.000 0.457 245 I N 2.199 122.913 120.570 0.240 0.000 2.330 245 I HA 0.161 4.336 4.170 0.008 0.000 0.289 245 I C 0.489 176.829 176.117 0.371 0.000 1.001 245 I CA -0.453 60.987 61.300 0.234 0.000 1.193 245 I CB 1.246 39.324 38.000 0.129 0.000 1.345 245 I HN 0.519 nan 8.210 nan 0.000 0.461 246 W N 3.433 124.789 121.300 0.093 0.000 2.402 246 W HA -0.063 4.602 4.660 0.008 0.000 0.286 246 W C 0.910 177.572 176.519 0.237 0.000 1.221 246 W CA 0.020 57.504 57.345 0.232 0.000 1.257 246 W CB -0.865 28.729 29.460 0.224 0.000 1.120 246 W HN 0.404 nan 8.180 nan 0.000 0.551 247 N N 0.134 119.021 118.700 0.312 0.000 2.492 247 N HA 0.012 4.757 4.740 0.008 0.000 0.260 247 N C 1.334 176.917 175.510 0.121 0.000 1.215 247 N CA 0.833 53.983 53.050 0.167 0.000 0.923 247 N CB 0.770 39.286 38.487 0.049 0.000 1.092 247 N HN -0.098 nan 8.380 nan 0.000 0.448 248 S N 0.946 116.708 115.700 0.103 0.000 2.428 248 S HA -0.070 4.405 4.470 0.008 0.000 0.230 248 S C 0.328 174.927 174.600 -0.002 0.000 1.014 248 S CA 0.774 59.015 58.200 0.068 0.000 0.957 248 S CB 0.001 63.258 63.200 0.096 0.000 0.784 248 S HN 0.662 nan 8.310 nan 0.000 0.499 249 Q N -0.883 118.899 119.800 -0.031 0.000 2.501 249 Q HA 0.504 4.849 4.340 0.008 0.000 0.288 249 Q C 0.258 176.171 176.000 -0.144 0.000 1.051 249 Q CA -0.614 55.126 55.803 -0.106 0.000 0.788 249 Q CB 1.810 30.502 28.738 -0.077 0.000 1.469 249 Q HN 0.094 nan 8.270 nan 0.000 0.416 250 L N -0.016 121.091 121.223 -0.193 0.000 2.056 250 L HA 0.015 4.359 4.340 0.008 0.000 0.207 250 L C 0.489 177.207 176.870 -0.254 0.000 1.078 250 L CA 0.936 55.663 54.840 -0.188 0.000 0.749 250 L CB 0.089 42.024 42.059 -0.207 0.000 0.901 250 L HN 0.271 nan 8.230 nan 0.000 0.433 251 V N 1.018 120.688 119.914 -0.408 0.000 2.384 251 V HA 0.475 4.600 4.120 0.008 0.000 0.287 251 V C -0.216 175.357 176.094 -0.869 0.000 1.020 251 V CA -0.642 61.244 62.300 -0.690 0.000 0.850 251 V CB 1.566 32.804 31.823 -0.975 0.000 0.987 251 V HN 0.204 nan 8.190 nan 0.000 0.436 252 R N 2.837 122.960 120.500 -0.628 0.000 2.604 252 R HA 0.459 4.804 4.340 0.008 0.000 0.270 252 R C -1.829 174.297 176.300 -0.289 0.000 1.052 252 R CA -0.793 55.078 56.100 -0.382 0.000 0.902 252 R CB 2.375 32.588 30.300 -0.144 0.000 1.233 252 R HN 0.563 nan 8.270 nan 0.000 0.455 253 Y N 0.434 120.743 120.300 0.014 0.000 2.301 253 Y HA 0.435 4.990 4.550 0.008 0.000 0.325 253 Y C 0.980 176.858 175.900 -0.037 0.000 1.203 253 Y CA -0.559 57.558 58.100 0.029 0.000 1.255 253 Y CB 1.070 39.614 38.460 0.140 0.000 1.232 253 Y HN 0.671 nan 8.280 nan 0.000 0.501 254 A N 1.440 124.305 122.820 0.074 0.000 2.407 254 A HA 0.566 4.890 4.320 0.008 0.000 0.248 254 A C 0.550 177.892 177.584 -0.403 0.000 1.082 254 A CA 0.216 52.122 52.037 -0.218 0.000 0.785 254 A CB -0.222 18.590 19.000 -0.312 0.000 1.020 254 A HN 0.938 nan 8.150 nan 0.000 0.489 255 G N 0.889 109.436 108.800 -0.421 0.000 2.744 255 G HA2 0.531 4.496 3.960 0.008 0.000 0.309 255 G HA3 0.531 4.496 3.960 0.008 0.000 0.309 255 G C -1.141 173.591 174.900 -0.280 0.000 1.328 255 G CA -0.236 44.676 45.100 -0.313 0.000 1.034 255 G HN 0.486 nan 8.290 nan 0.000 0.518 256 Y N 1.126 121.440 120.300 0.023 0.000 2.341 256 Y HA 0.427 4.981 4.550 0.008 0.000 0.340 256 Y C 0.896 176.796 175.900 -0.001 0.000 0.997 256 Y CA -1.328 56.785 58.100 0.021 0.000 1.149 256 Y CB 1.337 39.805 38.460 0.014 0.000 1.171 256 Y HN 0.536 nan 8.280 nan 0.000 0.494 257 R N 3.516 124.108 120.500 0.153 0.000 2.288 257 R HA 0.130 4.475 4.340 0.008 0.000 0.330 257 R C -0.322 176.018 176.300 0.067 0.000 1.069 257 R CA -0.243 55.905 56.100 0.080 0.000 0.941 257 R CB 0.156 30.491 30.300 0.059 0.000 0.998 257 R HN 0.549 nan 8.270 nan 0.000 0.452 258 Q N 2.304 122.133 119.800 0.048 0.000 2.382 258 Q HA -0.004 4.341 4.340 0.008 0.000 0.229 258 Q C 0.587 176.595 176.000 0.014 0.000 1.006 258 Q CA -0.272 55.547 55.803 0.027 0.000 0.916 258 Q CB 0.785 29.535 28.738 0.019 0.000 1.235 258 Q HN 0.622 nan 8.270 nan 0.000 0.512 259 Q N 1.083 120.885 119.800 0.004 0.000 2.124 259 Q HA -0.130 4.215 4.340 0.008 0.000 0.202 259 Q C 0.603 176.604 176.000 0.002 0.000 0.977 259 Q CA 1.396 57.199 55.803 0.000 0.000 0.850 259 Q CB 0.067 28.801 28.738 -0.007 0.000 0.901 259 Q HN 0.711 nan 8.270 nan 0.000 0.429 260 D N -1.794 118.607 120.400 0.002 0.000 2.344 260 D HA 0.039 4.683 4.640 0.008 0.000 0.242 260 D C 0.961 177.264 176.300 0.005 0.000 1.159 260 D CA 0.720 54.721 54.000 0.002 0.000 0.859 260 D CB 0.023 40.823 40.800 0.000 0.000 0.925 260 D HN 0.324 nan 8.370 nan 0.000 0.510 261 G N 1.153 109.958 108.800 0.008 0.000 2.328 261 G HA2 -0.383 3.581 3.960 0.008 0.000 0.256 261 G HA3 -0.383 3.581 3.960 0.008 0.000 0.256 261 G C 0.664 175.571 174.900 0.011 0.000 1.014 261 G CA 0.682 45.788 45.100 0.011 0.000 0.620 261 G HN 0.716 nan 8.290 nan 0.000 0.530 262 S N -0.913 114.793 115.700 0.009 0.000 2.633 262 S HA 0.673 5.148 4.470 0.008 0.000 0.257 262 S C 0.055 174.660 174.600 0.007 0.000 1.265 262 S CA 0.174 58.377 58.200 0.006 0.000 0.980 262 S CB 2.061 65.262 63.200 0.003 0.000 1.017 262 S HN 1.176 nan 8.310 nan 0.000 0.577 263 V N 1.010 120.920 119.914 -0.008 0.000 2.577 263 V HA 0.522 4.646 4.120 0.008 0.000 0.303 263 V C -0.232 175.840 176.094 -0.037 0.000 1.042 263 V CA -0.779 61.512 62.300 -0.014 0.000 0.872 263 V CB 1.719 33.517 31.823 -0.042 0.000 0.998 263 V HN 0.934 nan 8.190 nan 0.000 0.423 264 R N 3.145 123.656 120.500 0.019 0.000 2.221 264 R HA 0.689 5.033 4.340 0.008 0.000 0.327 264 R C 0.609 176.880 176.300 -0.049 0.000 1.033 264 R CA 1.127 57.244 56.100 0.030 0.000 0.887 264 R CB 0.822 31.219 30.300 0.160 0.000 1.057 264 R HN 1.232 nan 8.270 nan 0.000 0.455 265 G N 2.975 111.656 108.800 -0.199 0.000 2.516 265 G HA2 -0.236 3.729 3.960 0.008 0.000 0.220 265 G HA3 -0.236 3.729 3.960 0.008 0.000 0.220 265 G C -1.330 173.199 174.900 -0.618 0.000 1.165 265 G CA -0.063 44.844 45.100 -0.321 0.000 1.013 265 G HN 0.637 nan 8.290 nan 0.000 0.590 266 D N 1.680 121.864 120.400 -0.359 0.000 2.373 266 D HA 0.575 5.220 4.640 0.008 0.000 0.227 266 D C -1.177 175.031 176.300 -0.153 0.000 1.091 266 D CA -1.916 51.906 54.000 -0.297 0.000 0.840 266 D CB 1.613 42.527 40.800 0.191 0.000 1.060 266 D HN -0.027 nan 8.370 nan 0.000 0.502 267 P HA -0.093 nan 4.420 nan 0.000 0.219 267 P C 0.937 178.243 177.300 0.010 0.000 1.146 267 P CA 0.902 63.964 63.100 -0.064 0.000 0.808 267 P CB 0.308 31.976 31.700 -0.053 0.000 0.779 268 A N -0.366 122.480 122.820 0.044 0.000 2.019 268 A HA -0.144 4.180 4.320 0.008 0.000 0.219 268 A C 1.682 179.320 177.584 0.090 0.000 1.164 268 A CA 1.447 53.542 52.037 0.097 0.000 0.644 268 A CB -0.924 18.158 19.000 0.136 0.000 0.805 268 A HN 0.161 nan 8.150 nan 0.000 0.449 269 N N -0.251 118.486 118.700 0.062 0.000 2.251 269 N HA 0.137 4.881 4.740 0.008 0.000 0.217 269 N C 1.120 176.630 175.510 0.001 0.000 1.124 269 N CA 0.219 53.293 53.050 0.041 0.000 0.843 269 N CB 0.593 39.102 38.487 0.036 0.000 1.024 269 N HN 0.218 nan 8.380 nan 0.000 0.501 270 V N 0.962 120.878 119.914 0.005 0.000 2.287 270 V HA -0.243 3.882 4.120 0.008 0.000 0.248 270 V C 2.423 178.519 176.094 0.003 0.000 1.053 270 V CA 1.808 64.108 62.300 -0.001 0.000 1.027 270 V CB -0.288 31.543 31.823 0.013 0.000 0.646 270 V HN 0.380 nan 8.190 nan 0.000 0.447 271 E N -0.297 119.909 120.200 0.010 0.000 2.072 271 E HA -0.239 4.115 4.350 0.008 0.000 0.191 271 E C 2.115 178.635 176.600 -0.134 0.000 0.985 271 E CA 1.500 57.879 56.400 -0.035 0.000 0.801 271 E CB -0.142 29.576 29.700 0.030 0.000 0.750 271 E HN 0.500 nan 8.360 nan 0.000 0.452 272 I N 0.675 121.188 120.570 -0.095 0.000 2.394 272 I HA -0.180 3.995 4.170 0.008 0.000 0.251 272 I C 1.977 178.045 176.117 -0.081 0.000 1.136 272 I CA 1.413 62.633 61.300 -0.134 0.000 1.425 272 I CB -0.298 37.688 38.000 -0.023 0.000 1.079 272 I HN 0.076 nan 8.210 nan 0.000 0.425 273 T N 0.366 114.897 114.554 -0.038 0.000 2.746 273 T HA -0.164 4.190 4.350 0.008 0.000 0.267 273 T C 1.710 176.481 174.700 0.120 0.000 1.039 273 T CA 1.765 63.884 62.100 0.031 0.000 1.142 273 T CB -0.267 68.611 68.868 0.016 0.000 0.866 273 T HN 0.467 nan 8.240 nan 0.000 0.444 274 E N 0.573 120.809 120.200 0.060 0.000 2.204 274 E HA 0.031 4.386 4.350 0.008 0.000 0.194 274 E C 2.117 178.740 176.600 0.039 0.000 0.989 274 E CA 0.504 56.942 56.400 0.064 0.000 0.824 274 E CB -0.175 29.540 29.700 0.025 0.000 0.756 274 E HN 0.416 nan 8.360 nan 0.000 0.477 275 L N 0.079 121.294 121.223 -0.013 0.000 2.109 275 L HA -0.153 4.192 4.340 0.008 0.000 0.207 275 L C 2.426 179.396 176.870 0.168 0.000 1.086 275 L CA 0.535 55.397 54.840 0.037 0.000 0.760 275 L CB -0.174 41.830 42.059 -0.092 0.000 0.910 275 L HN 0.285 nan 8.230 nan 0.000 0.437 276 C N -0.081 119.279 119.300 0.100 0.000 2.425 276 C HA -0.137 4.328 4.460 0.008 0.000 0.277 276 C C 2.681 177.841 174.990 0.283 0.000 1.280 276 C CA 0.529 59.620 59.018 0.120 0.000 1.744 276 C CB -0.594 27.118 27.740 -0.047 0.000 1.989 276 C HN 0.423 nan 8.230 nan 0.000 0.491 277 I N 0.266 121.010 120.570 0.290 0.000 2.252 277 I HA -0.229 3.945 4.170 0.008 0.000 0.245 277 I C 2.588 178.757 176.117 0.087 0.000 1.102 277 I CA 1.433 62.863 61.300 0.216 0.000 1.385 277 I CB -0.632 37.468 38.000 0.167 0.000 1.064 277 I HN 0.425 nan 8.210 nan 0.000 0.414 278 Q N -0.158 119.663 119.800 0.035 0.000 2.291 278 Q HA -0.203 4.142 4.340 0.008 0.000 0.206 278 Q C 1.047 176.913 176.000 -0.223 0.000 0.976 278 Q CA 1.229 56.970 55.803 -0.102 0.000 0.875 278 Q CB -0.103 28.539 28.738 -0.160 0.000 0.927 278 Q HN 0.634 nan 8.270 nan 0.000 0.450 279 H N -1.793 117.264 119.070 -0.022 0.000 2.505 279 H HA 0.234 4.795 4.556 0.008 0.000 0.289 279 H C 0.756 176.058 175.328 -0.044 0.000 1.052 279 H CA 0.440 56.449 56.048 -0.066 0.000 1.156 279 H CB 0.859 30.537 29.762 -0.141 0.000 1.507 279 H HN 0.369 nan 8.280 nan 0.000 0.548 280 G N -0.229 108.612 108.800 0.068 0.000 2.179 280 G HA2 -0.259 3.706 3.960 0.008 0.000 0.220 280 G HA3 -0.259 3.706 3.960 0.008 0.000 0.220 280 G C -0.099 174.868 174.900 0.113 0.000 0.990 280 G CA -0.221 44.909 45.100 0.050 0.000 0.646 280 G HN 0.352 nan 8.290 nan 0.000 0.517 281 W N 2.721 124.000 121.300 -0.034 0.000 2.266 281 W HA 0.634 5.299 4.660 0.008 0.000 0.317 281 W C 0.251 176.763 176.519 -0.012 0.000 1.310 281 W CA 0.292 57.622 57.345 -0.026 0.000 1.207 281 W CB 0.815 30.269 29.460 -0.009 0.000 1.199 281 W HN 0.031 nan 8.180 nan 0.000 0.544 282 T N 9.659 123.878 114.554 -0.560 0.000 2.747 282 T HA 0.186 4.541 4.350 0.008 0.000 0.301 282 T C -2.121 171.858 174.700 -1.202 0.000 0.952 282 T CA -0.932 60.804 62.100 -0.607 0.000 0.983 282 T CB 0.316 68.974 68.868 -0.351 0.000 0.930 282 T HN 0.229 nan 8.240 nan 0.000 0.494 283 P HA 0.248 nan 4.420 nan 0.000 0.271 283 P C 0.504 177.399 177.300 -0.675 0.000 1.216 283 P CA -0.202 62.194 63.100 -1.174 0.000 0.776 283 P CB 1.008 32.406 31.700 -0.502 0.000 0.881 284 G N 1.824 110.362 108.800 -0.437 0.000 2.582 284 G HA2 0.230 4.195 3.960 0.008 0.000 0.232 284 G HA3 0.230 4.195 3.960 0.008 0.000 0.232 284 G C 0.166 174.793 174.900 -0.455 0.000 1.458 284 G CA -0.613 44.347 45.100 -0.233 0.000 1.062 284 G HN 0.776 nan 8.290 nan 0.000 0.566 285 N N -1.442 117.102 118.700 -0.260 0.000 2.423 285 N HA 0.212 4.957 4.740 0.008 0.000 0.262 285 N C 0.321 175.823 175.510 -0.013 0.000 1.467 285 N CA -0.406 52.430 53.050 -0.357 0.000 0.847 285 N CB 0.649 38.953 38.487 -0.305 0.000 1.394 285 N HN 0.655 nan 8.380 nan 0.000 0.495 286 G N 0.511 109.418 108.800 0.179 0.000 2.531 286 G HA2 0.302 4.267 3.960 0.008 0.000 0.313 286 G HA3 0.302 4.267 3.960 0.008 0.000 0.313 286 G C 0.497 175.502 174.900 0.177 0.000 1.238 286 G CA -0.607 44.595 45.100 0.169 0.000 0.994 286 G HN 0.084 nan 8.290 nan 0.000 0.493 287 R N -1.292 119.220 120.500 0.019 0.000 2.173 287 R HA 0.105 4.450 4.340 0.008 0.000 0.208 287 R C 0.000 175.935 176.300 -0.608 0.000 1.035 287 R CA 0.725 56.660 56.100 -0.274 0.000 1.004 287 R CB 0.056 30.099 30.300 -0.429 0.000 0.917 287 R HN 0.403 nan 8.270 nan 0.000 0.462 288 F N 0.884 120.787 119.950 -0.079 0.000 2.679 288 F HA 0.248 4.780 4.527 0.008 0.000 0.354 288 F C -0.755 174.992 175.800 -0.089 0.000 1.423 288 F CA -1.086 56.627 58.000 -0.479 0.000 1.141 288 F CB 0.601 39.164 39.000 -0.727 0.000 1.168 288 F HN -0.317 nan 8.300 nan 0.000 0.530 289 D N 1.516 122.072 120.400 0.260 0.000 2.316 289 D HA 0.197 4.842 4.640 0.008 0.000 0.245 289 D C 0.167 176.710 176.300 0.405 0.000 1.171 289 D CA 0.109 54.329 54.000 0.367 0.000 0.856 289 D CB 1.976 43.050 40.800 0.458 0.000 1.090 289 D HN -0.061 nan 8.370 nan 0.000 0.476 290 V N 3.835 123.957 119.914 0.347 0.000 2.529 290 V HA 0.016 4.141 4.120 0.008 0.000 0.292 290 V C 0.995 177.098 176.094 0.014 0.000 1.028 290 V CA -0.298 62.091 62.300 0.150 0.000 1.074 290 V CB 0.255 32.120 31.823 0.070 0.000 0.958 290 V HN 0.344 nan 8.190 nan 0.000 0.481 291 L N 8.098 129.225 121.223 -0.161 0.000 2.436 291 L HA 0.372 4.717 4.340 0.008 0.000 0.265 291 L C -1.663 174.940 176.870 -0.445 0.000 1.168 291 L CA -1.368 53.205 54.840 -0.445 0.000 0.815 291 L CB 0.967 42.799 42.059 -0.377 0.000 1.109 291 L HN 0.492 nan 8.230 nan 0.000 0.462 292 P HA 0.267 nan 4.420 nan 0.000 0.278 292 P C -1.184 175.932 177.300 -0.306 0.000 1.266 292 P CA -0.547 62.284 63.100 -0.448 0.000 0.807 292 P CB 1.066 32.388 31.700 -0.629 0.000 1.094 293 L N 0.632 121.759 121.223 -0.160 0.000 2.325 293 L HA 0.421 4.766 4.340 0.008 0.000 0.279 293 L C 0.429 177.250 176.870 -0.083 0.000 1.054 293 L CA -0.795 53.999 54.840 -0.077 0.000 0.804 293 L CB 0.754 42.829 42.059 0.026 0.000 1.200 293 L HN 0.202 nan 8.230 nan 0.000 0.436 294 L N 4.921 126.085 121.223 -0.099 0.000 2.301 294 L HA 0.456 4.800 4.340 0.008 0.000 0.278 294 L C -0.686 176.070 176.870 -0.190 0.000 1.022 294 L CA -0.243 54.444 54.840 -0.254 0.000 0.854 294 L CB 0.891 42.713 42.059 -0.395 0.000 1.226 294 L HN 0.449 nan 8.230 nan 0.000 0.429 295 L N 3.786 124.955 121.223 -0.090 0.000 2.309 295 L HA 0.510 4.854 4.340 0.008 0.000 0.282 295 L C -0.230 176.582 176.870 -0.097 0.000 1.036 295 L CA -0.357 54.464 54.840 -0.032 0.000 0.806 295 L CB 1.749 43.817 42.059 0.016 0.000 1.220 295 L HN 0.549 nan 8.230 nan 0.000 0.429 296 Q N 2.394 122.165 119.800 -0.049 0.000 2.310 296 Q HA 0.692 5.037 4.340 0.008 0.000 0.270 296 Q C -1.212 174.736 176.000 -0.085 0.000 1.025 296 Q CA -0.550 55.220 55.803 -0.054 0.000 0.772 296 Q CB 2.256 31.046 28.738 0.086 0.000 1.253 296 Q HN 0.795 nan 8.270 nan 0.000 0.450 297 A N 4.709 127.425 122.820 -0.173 0.000 2.269 297 A HA 0.707 5.031 4.320 0.008 0.000 0.319 297 A C -2.468 174.851 177.584 -0.441 0.000 1.110 297 A CA -1.767 50.003 52.037 -0.445 0.000 0.847 297 A CB 0.295 19.140 19.000 -0.257 0.000 1.161 297 A HN 0.626 nan 8.150 nan 0.000 0.497 298 P HA 0.022 nan 4.420 nan 0.000 0.258 298 P C -0.705 176.493 177.300 -0.171 0.000 1.172 298 P CA 0.967 63.852 63.100 -0.359 0.000 0.762 298 P CB 0.064 31.551 31.700 -0.354 0.000 0.764 299 D N 0.544 120.887 120.400 -0.094 0.000 2.911 299 D HA -0.191 4.454 4.640 0.008 0.000 0.227 299 D C -0.224 176.058 176.300 -0.030 0.000 1.164 299 D CA 1.270 55.246 54.000 -0.040 0.000 0.782 299 D CB -0.782 40.000 40.800 -0.030 0.000 1.094 299 D HN 0.566 nan 8.370 nan 0.000 0.425 300 E N -0.654 119.522 120.200 -0.040 0.000 2.312 300 E HA 0.661 5.015 4.350 0.008 0.000 0.267 300 E C -0.203 176.383 176.600 -0.023 0.000 0.894 300 E CA -0.834 55.546 56.400 -0.033 0.000 0.773 300 E CB 1.744 31.411 29.700 -0.056 0.000 1.241 300 E HN 0.150 nan 8.360 nan 0.000 0.432 301 A N 2.803 125.609 122.820 -0.024 0.000 2.425 301 A HA 0.333 4.658 4.320 0.008 0.000 0.242 301 A C -2.067 175.414 177.584 -0.171 0.000 1.077 301 A CA -0.968 51.045 52.037 -0.041 0.000 0.781 301 A CB -0.388 18.609 19.000 -0.006 0.000 1.020 301 A HN 0.344 nan 8.150 nan 0.000 0.494 302 P HA 0.160 nan 4.420 nan 0.000 0.269 302 P C -0.696 176.331 177.300 -0.455 0.000 1.215 302 P CA 0.194 62.928 63.100 -0.610 0.000 0.780 302 P CB 0.638 31.488 31.700 -1.416 0.000 0.898 303 E N 0.718 120.719 120.200 -0.331 0.000 2.199 303 E HA 0.392 4.747 4.350 0.008 0.000 0.269 303 E C -0.760 175.549 176.600 -0.484 0.000 0.899 303 E CA -1.081 55.102 56.400 -0.362 0.000 0.772 303 E CB 1.570 31.103 29.700 -0.279 0.000 1.155 303 E HN 0.276 nan 8.360 nan 0.000 0.408 304 L N 3.333 124.210 121.223 -0.578 0.000 2.349 304 L HA 0.395 4.740 4.340 0.008 0.000 0.275 304 L C -1.472 174.908 176.870 -0.816 0.000 1.115 304 L CA 0.344 54.885 54.840 -0.500 0.000 0.820 304 L CB 0.093 41.977 42.059 -0.293 0.000 1.135 304 L HN 0.419 nan 8.230 nan 0.000 0.445 305 F N 3.937 123.660 119.950 -0.378 0.000 2.557 305 F HA 0.448 4.981 4.527 0.009 0.000 0.316 305 F C -0.387 175.144 175.800 -0.449 0.000 1.141 305 F CA -0.856 56.782 58.000 -0.604 0.000 0.922 305 F CB 1.806 40.132 39.000 -1.123 0.000 1.194 305 F HN 0.010 nan 8.300 nan 0.000 0.443 306 V N 4.812 124.628 119.914 -0.163 0.000 2.432 306 V HA 0.304 4.429 4.120 0.008 0.000 0.275 306 V C 0.197 176.367 176.094 0.127 0.000 1.043 306 V CA -0.737 61.554 62.300 -0.016 0.000 0.925 306 V CB 1.315 33.172 31.823 0.057 0.000 0.985 306 V HN 0.539 nan 8.190 nan 0.000 0.466 307 L N 7.146 128.467 121.223 0.163 0.000 2.416 307 L HA 0.298 4.643 4.340 0.008 0.000 0.272 307 L C -2.157 174.816 176.870 0.172 0.000 1.161 307 L CA -1.483 53.505 54.840 0.246 0.000 0.845 307 L CB 0.602 42.739 42.059 0.130 0.000 1.119 307 L HN 0.434 nan 8.230 nan 0.000 0.464 308 P HA 0.117 nan 4.420 nan 0.000 0.271 308 P C -2.029 175.318 177.300 0.078 0.000 1.233 308 P CA -1.100 62.069 63.100 0.114 0.000 0.764 308 P CB 0.533 32.289 31.700 0.094 0.000 0.825 309 P HA -0.270 nan 4.420 nan 0.000 0.218 309 P C 1.377 178.706 177.300 0.047 0.000 1.150 309 P CA 1.439 64.578 63.100 0.065 0.000 0.841 309 P CB -0.153 31.589 31.700 0.070 0.000 0.784 310 E N -0.259 119.965 120.200 0.040 0.000 2.338 310 E HA -0.128 4.227 4.350 0.008 0.000 0.197 310 E C 1.749 178.361 176.600 0.020 0.000 1.007 310 E CA 0.990 57.406 56.400 0.027 0.000 0.849 310 E CB -1.011 28.703 29.700 0.023 0.000 0.774 310 E HN 0.317 nan 8.360 nan 0.000 0.506 311 L N 0.951 122.186 121.223 0.021 0.000 2.270 311 L HA 0.070 4.415 4.340 0.008 0.000 0.210 311 L C 0.898 177.775 176.870 0.013 0.000 1.104 311 L CA 0.211 55.057 54.840 0.010 0.000 0.804 311 L CB 0.255 42.312 42.059 -0.003 0.000 0.937 311 L HN -0.088 nan 8.230 nan 0.000 0.450 312 V N 2.501 122.426 119.914 0.017 0.000 2.338 312 V HA 0.100 4.224 4.120 0.008 0.000 0.255 312 V C 0.135 176.248 176.094 0.032 0.000 1.082 312 V CA -0.428 61.879 62.300 0.013 0.000 0.951 312 V CB 0.810 32.631 31.823 -0.002 0.000 1.102 312 V HN 0.062 nan 8.190 nan 0.000 0.489 313 L N 5.697 126.943 121.223 0.039 0.000 2.367 313 L HA 0.431 4.776 4.340 0.008 0.000 0.275 313 L C 0.192 177.091 176.870 0.050 0.000 1.129 313 L CA 0.774 55.632 54.840 0.030 0.000 0.839 313 L CB 0.482 42.552 42.059 0.019 0.000 1.133 313 L HN 0.661 nan 8.230 nan 0.000 0.453 314 E N 3.073 123.284 120.200 0.017 0.000 2.336 314 E HA 0.610 4.965 4.350 0.008 0.000 0.267 314 E C -1.522 175.028 176.600 -0.085 0.000 0.906 314 E CA -1.017 55.394 56.400 0.018 0.000 0.781 314 E CB 2.461 32.201 29.700 0.067 0.000 1.261 314 E HN 0.359 nan 8.360 nan 0.000 0.436 315 V N 2.616 122.453 119.914 -0.127 0.000 2.407 315 V HA 0.318 4.443 4.120 0.008 0.000 0.291 315 V C -2.486 173.552 176.094 -0.094 0.000 1.018 315 V CA -1.980 60.190 62.300 -0.215 0.000 0.842 315 V CB 1.381 32.857 31.823 -0.579 0.000 0.996 315 V HN 0.517 nan 8.190 nan 0.000 0.426 316 P HA 0.332 nan 4.420 nan 0.000 0.281 316 P C -0.592 176.717 177.300 0.014 0.000 1.252 316 P CA -0.197 62.877 63.100 -0.043 0.000 0.778 316 P CB 0.609 32.291 31.700 -0.030 0.000 0.895 317 L N 3.969 125.234 121.223 0.070 0.000 2.319 317 L HA 0.391 4.736 4.340 0.008 0.000 0.280 317 L C 1.071 178.101 176.870 0.266 0.000 1.099 317 L CA 0.002 54.948 54.840 0.177 0.000 0.828 317 L CB 0.207 42.434 42.059 0.279 0.000 1.150 317 L HN 0.473 nan 8.230 nan 0.000 0.442 318 E N 2.090 122.406 120.200 0.194 0.000 2.393 318 E HA 0.411 4.766 4.350 0.008 0.000 0.273 318 E C -1.277 175.329 176.600 0.010 0.000 0.918 318 E CA -0.962 55.560 56.400 0.204 0.000 0.773 318 E CB 2.177 31.977 29.700 0.166 0.000 1.275 318 E HN 0.468 nan 8.360 nan 0.000 0.451 319 H N 1.750 120.676 119.070 -0.240 0.000 2.472 319 H HA 0.222 4.783 4.556 0.008 0.000 0.338 319 H C -1.714 173.307 175.328 -0.510 0.000 1.133 319 H CA -2.285 53.464 56.048 -0.499 0.000 1.216 319 H CB 2.007 31.389 29.762 -0.634 0.000 1.497 319 H HN 0.447 nan 8.280 nan 0.000 0.500 320 P HA -0.135 nan 4.420 nan 0.000 0.218 320 P C 0.921 178.031 177.300 -0.317 0.000 1.148 320 P CA 1.837 64.400 63.100 -0.896 0.000 0.822 320 P CB 0.472 31.655 31.700 -0.862 0.000 0.784 321 T N -4.306 110.221 114.554 -0.045 0.000 3.057 321 T HA 0.185 4.540 4.350 0.008 0.000 0.254 321 T C 0.949 175.618 174.700 -0.053 0.000 0.965 321 T CA -0.248 61.848 62.100 -0.006 0.000 0.978 321 T CB -0.680 68.197 68.868 0.015 0.000 1.169 321 T HN -0.070 nan 8.240 nan 0.000 0.489 322 L N 2.981 124.120 121.223 -0.140 0.000 2.462 322 L HA 0.319 4.663 4.340 0.008 0.000 0.283 322 L C 1.304 177.839 176.870 -0.559 0.000 1.166 322 L CA -0.208 54.277 54.840 -0.593 0.000 0.964 322 L CB 0.204 41.517 42.059 -1.244 0.000 1.294 322 L HN 0.305 nan 8.230 nan 0.000 0.449 323 E N 3.288 123.317 120.200 -0.286 0.000 2.209 323 E HA -0.215 4.139 4.350 0.008 0.000 0.196 323 E C 1.595 178.164 176.600 -0.053 0.000 0.993 323 E CA 1.548 57.883 56.400 -0.109 0.000 0.819 323 E CB 0.003 29.706 29.700 0.006 0.000 0.745 323 E HN 0.835 nan 8.360 nan 0.000 0.477 324 W N -0.093 121.258 121.300 0.085 0.000 2.595 324 W HA -0.030 4.635 4.660 0.009 0.000 0.257 324 W C 1.483 178.052 176.519 0.083 0.000 1.267 324 W CA -0.202 57.180 57.345 0.063 0.000 1.300 324 W CB -0.842 28.632 29.460 0.024 0.000 1.120 324 W HN -0.055 nan 8.180 nan 0.000 0.618 325 F N 3.048 122.757 119.950 -0.402 0.000 2.126 325 F HA -0.159 4.372 4.527 0.008 0.000 0.299 325 F C 2.701 178.521 175.800 0.033 0.000 1.096 325 F CA 2.907 60.778 58.000 -0.215 0.000 1.255 325 F CB -0.676 38.064 39.000 -0.433 0.000 0.997 325 F HN -0.071 nan 8.300 nan 0.000 0.479 326 A N 0.044 123.001 122.820 0.229 0.000 1.940 326 A HA -0.114 4.211 4.320 0.008 0.000 0.219 326 A C 2.309 179.960 177.584 0.112 0.000 1.176 326 A CA 1.637 53.779 52.037 0.176 0.000 0.631 326 A CB -1.477 17.599 19.000 0.127 0.000 0.814 326 A HN 0.440 nan 8.150 nan 0.000 0.446 327 A N -1.098 121.795 122.820 0.121 0.000 2.172 327 A HA 0.132 4.457 4.320 0.008 0.000 0.216 327 A C 1.711 179.337 177.584 0.069 0.000 1.154 327 A CA 1.113 53.211 52.037 0.101 0.000 0.701 327 A CB -0.376 18.702 19.000 0.130 0.000 0.789 327 A HN 0.365 nan 8.150 nan 0.000 0.465 328 L N -0.954 120.285 121.223 0.026 0.000 2.362 328 L HA 0.090 4.435 4.340 0.008 0.000 0.219 328 L C 1.901 178.789 176.870 0.031 0.000 1.134 328 L CA 1.199 56.026 54.840 -0.022 0.000 0.807 328 L CB -1.249 40.684 42.059 -0.209 0.000 0.927 328 L HN 0.649 nan 8.230 nan 0.000 0.447 329 G N -0.416 108.407 108.800 0.039 0.000 2.198 329 G HA2 -0.289 3.676 3.960 0.008 0.000 0.260 329 G HA3 -0.289 3.676 3.960 0.008 0.000 0.260 329 G C 0.322 175.236 174.900 0.023 0.000 1.025 329 G CA 0.328 45.460 45.100 0.053 0.000 0.769 329 G HN 0.313 nan 8.290 nan 0.000 0.507 330 L N -0.090 121.119 121.223 -0.023 0.000 2.375 330 L HA 0.796 5.141 4.340 0.008 0.000 0.271 330 L C 1.089 177.755 176.870 -0.341 0.000 1.107 330 L CA -0.705 54.047 54.840 -0.148 0.000 0.806 330 L CB 0.998 43.083 42.059 0.044 0.000 1.146 330 L HN 0.556 nan 8.230 nan 0.000 0.447 331 R N 1.598 121.644 120.500 -0.756 0.000 2.733 331 R HA 0.511 4.856 4.340 0.008 0.000 0.272 331 R C -2.131 174.078 176.300 -0.153 0.000 1.029 331 R CA -1.007 54.835 56.100 -0.429 0.000 0.888 331 R CB 1.890 31.897 30.300 -0.488 0.000 1.251 331 R HN 0.647 nan 8.270 nan 0.000 0.464 332 W N 1.521 122.763 121.300 -0.096 0.000 3.296 332 W HA 0.318 4.982 4.660 0.008 0.000 0.314 332 W C -1.238 175.356 176.519 0.125 0.000 1.238 332 W CA -0.935 56.449 57.345 0.065 0.000 1.193 332 W CB 1.966 31.384 29.460 -0.070 0.000 1.383 332 W HN 0.688 nan 8.180 nan 0.000 0.545 333 Y N 1.182 121.368 120.300 -0.191 0.000 2.326 333 Y HA 0.525 5.079 4.550 0.008 0.000 0.333 333 Y C 0.808 176.917 175.900 0.348 0.000 1.240 333 Y CA 0.183 58.273 58.100 -0.016 0.000 1.365 333 Y CB 0.260 38.584 38.460 -0.226 0.000 1.289 333 Y HN 0.350 nan 8.280 nan 0.000 0.548 334 A N 2.362 125.432 122.820 0.417 0.000 2.016 334 A HA 0.077 4.401 4.320 0.008 0.000 0.217 334 A C 0.442 178.358 177.584 0.553 0.000 1.162 334 A CA 0.350 52.676 52.037 0.483 0.000 0.662 334 A CB -0.289 18.826 19.000 0.191 0.000 0.812 334 A HN 0.676 nan 8.150 nan 0.000 0.450 335 L N 1.786 123.295 121.223 0.477 0.000 2.276 335 L HA 0.421 4.765 4.340 0.008 0.000 0.286 335 L C -2.564 174.439 176.870 0.221 0.000 1.024 335 L CA -2.181 52.831 54.840 0.286 0.000 0.826 335 L CB 1.686 43.842 42.059 0.163 0.000 1.211 335 L HN -0.047 nan 8.230 nan 0.000 0.422 336 P HA 0.286 nan 4.420 nan 0.000 0.283 336 P C -1.278 175.917 177.300 -0.175 0.000 1.412 336 P CA -0.297 62.659 63.100 -0.239 0.000 0.912 336 P CB 1.185 32.377 31.700 -0.847 0.000 1.132 337 A N 4.758 127.481 122.820 -0.162 0.000 2.664 337 A HA 0.375 4.699 4.320 0.008 0.000 0.338 337 A C 0.049 177.397 177.584 -0.395 0.000 1.280 337 A CA -0.657 51.206 52.037 -0.289 0.000 0.809 337 A CB 0.405 19.241 19.000 -0.273 0.000 1.114 337 A HN 0.300 nan 8.150 nan 0.000 0.479 338 V N 2.580 122.110 119.914 -0.640 0.000 2.540 338 V HA 0.149 4.274 4.120 0.008 0.000 0.297 338 V C 1.256 176.963 176.094 -0.645 0.000 1.024 338 V CA 1.404 63.308 62.300 -0.661 0.000 1.105 338 V CB 0.938 32.243 31.823 -0.864 0.000 0.938 338 V HN 1.037 nan 8.190 nan 0.000 0.482 339 S N 1.582 117.107 115.700 -0.291 0.000 2.733 339 S HA 0.058 4.533 4.470 0.008 0.000 0.247 339 S C 0.790 175.384 174.600 -0.009 0.000 1.043 339 S CA 0.050 58.167 58.200 -0.139 0.000 1.066 339 S CB -0.393 62.757 63.200 -0.084 0.000 1.045 339 S HN 0.915 nan 8.310 nan 0.000 0.586 340 N N 0.471 119.172 118.700 0.001 0.000 2.205 340 N HA 0.282 5.027 4.740 0.008 0.000 0.201 340 N C 0.199 175.769 175.510 0.101 0.000 1.128 340 N CA -0.470 52.612 53.050 0.054 0.000 0.867 340 N CB 0.053 38.565 38.487 0.041 0.000 0.996 340 N HN 0.268 nan 8.380 nan 0.000 0.503 341 M N 1.505 121.191 119.600 0.143 0.000 2.274 341 M HA 0.264 4.749 4.480 0.008 0.000 0.344 341 M C -0.528 175.934 176.300 0.269 0.000 1.161 341 M CA -0.744 54.699 55.300 0.239 0.000 1.126 341 M CB 2.286 35.083 32.600 0.327 0.000 1.522 341 M HN 0.150 nan 8.290 nan 0.000 0.461 342 L N 3.604 124.965 121.223 0.230 0.000 2.292 342 L HA 0.473 4.818 4.340 0.008 0.000 0.284 342 L C -1.192 175.800 176.870 0.202 0.000 1.065 342 L CA -0.803 54.154 54.840 0.195 0.000 0.806 342 L CB 0.941 43.065 42.059 0.108 0.000 1.175 342 L HN 0.597 nan 8.230 nan 0.000 0.431 343 L N 5.463 126.799 121.223 0.189 0.000 2.265 343 L HA 0.445 4.790 4.340 0.008 0.000 0.289 343 L C -0.509 176.377 176.870 0.028 0.000 1.033 343 L CA 0.230 55.062 54.840 -0.014 0.000 0.814 343 L CB 1.058 43.098 42.059 -0.032 0.000 1.203 343 L HN 0.632 nan 8.230 nan 0.000 0.423 344 E N 6.589 126.722 120.200 -0.111 0.000 2.133 344 E HA 0.392 4.747 4.350 0.008 0.000 0.274 344 E C -1.552 174.953 176.600 -0.159 0.000 0.930 344 E CA -0.423 55.929 56.400 -0.080 0.000 0.770 344 E CB 1.103 30.754 29.700 -0.081 0.000 1.104 344 E HN 0.731 nan 8.360 nan 0.000 0.403 345 I N 2.704 123.189 120.570 -0.141 0.000 2.468 345 I HA 0.263 4.438 4.170 0.008 0.000 0.285 345 I C 0.856 176.773 176.117 -0.334 0.000 1.039 345 I CA -0.634 60.450 61.300 -0.360 0.000 1.074 345 I CB 1.990 39.704 38.000 -0.475 0.000 1.228 345 I HN 0.795 nan 8.210 nan 0.000 0.436 346 G N 4.176 112.824 108.800 -0.252 0.000 2.321 346 G HA2 -0.151 3.814 3.960 0.008 0.000 0.287 346 G HA3 -0.151 3.814 3.960 0.008 0.000 0.287 346 G C 1.023 176.020 174.900 0.162 0.000 1.018 346 G CA 0.787 45.954 45.100 0.112 0.000 0.855 346 G HN 1.553 nan 8.290 nan 0.000 0.507 347 G N -2.002 106.821 108.800 0.038 0.000 2.217 347 G HA2 -0.223 3.742 3.960 0.008 0.000 0.246 347 G HA3 -0.223 3.742 3.960 0.008 0.000 0.246 347 G C 0.467 175.330 174.900 -0.062 0.000 0.990 347 G CA 0.360 45.477 45.100 0.029 0.000 0.627 347 G HN 1.282 nan 8.290 nan 0.000 0.522 348 L N 1.258 122.390 121.223 -0.153 0.000 2.349 348 L HA 0.493 4.837 4.340 0.008 0.000 0.275 348 L C 0.263 176.935 176.870 -0.330 0.000 1.115 348 L CA -0.324 54.312 54.840 -0.340 0.000 0.820 348 L CB 1.000 42.744 42.059 -0.524 0.000 1.135 348 L HN 0.199 nan 8.230 nan 0.000 0.445 349 E N 3.600 123.567 120.200 -0.389 0.000 2.113 349 E HA 0.299 4.653 4.350 0.008 0.000 0.273 349 E C -1.314 175.064 176.600 -0.370 0.000 0.924 349 E CA -0.343 55.901 56.400 -0.259 0.000 0.764 349 E CB 1.127 30.744 29.700 -0.138 0.000 1.104 349 E HN 0.294 nan 8.360 nan 0.000 0.406 350 F N 2.159 122.083 119.950 -0.044 0.000 2.309 350 F HA 0.073 4.606 4.527 0.009 0.000 0.366 350 F C 1.603 177.443 175.800 0.067 0.000 1.104 350 F CA -0.467 57.536 58.000 0.005 0.000 1.179 350 F CB 0.837 39.823 39.000 -0.024 0.000 1.437 350 F HN 0.426 nan 8.300 nan 0.000 0.528 351 S N 1.243 117.053 115.700 0.182 0.000 2.500 351 S HA 0.117 4.591 4.470 0.008 0.000 0.239 351 S C 0.835 175.569 174.600 0.223 0.000 0.989 351 S CA 0.406 58.708 58.200 0.171 0.000 0.951 351 S CB -0.041 63.233 63.200 0.122 0.000 0.759 351 S HN 0.487 nan 8.310 nan 0.000 0.523 352 A N 0.406 123.406 122.820 0.299 0.000 2.522 352 A HA 0.816 5.141 4.320 0.008 0.000 0.285 352 A C -0.211 177.629 177.584 0.427 0.000 1.198 352 A CA -0.150 52.091 52.037 0.341 0.000 0.742 352 A CB 0.870 20.061 19.000 0.319 0.000 1.176 352 A HN 1.001 nan 8.150 nan 0.000 0.444 353 A N 4.033 127.054 122.820 0.335 0.000 3.277 353 A HA 0.637 4.962 4.320 0.008 0.000 0.281 353 A C -3.031 174.711 177.584 0.264 0.000 1.179 353 A CA -0.936 51.260 52.037 0.265 0.000 0.879 353 A CB 0.409 19.551 19.000 0.237 0.000 1.374 353 A HN 0.496 nan 8.150 nan 0.000 0.590 354 P HA 0.383 nan 4.420 nan 0.000 0.268 354 P C -0.699 176.647 177.300 0.077 0.000 1.204 354 P CA 0.491 63.583 63.100 -0.013 0.000 0.768 354 P CB 0.252 31.908 31.700 -0.073 0.000 0.842 355 F N -0.094 119.821 119.950 -0.060 0.000 2.593 355 F HA 0.812 5.343 4.527 0.007 0.000 0.320 355 F C -0.508 175.217 175.800 -0.124 0.000 1.060 355 F CA -1.211 56.744 58.000 -0.075 0.000 0.940 355 F CB 1.673 40.486 39.000 -0.313 0.000 1.268 355 F HN 0.434 nan 8.300 nan 0.000 0.475 356 S N -0.114 115.668 115.700 0.137 0.000 2.547 356 S HA 0.885 5.359 4.470 0.008 0.000 0.270 356 S C -0.833 173.728 174.600 -0.065 0.000 1.150 356 S CA -0.169 58.040 58.200 0.016 0.000 0.850 356 S CB 1.353 64.617 63.200 0.107 0.000 1.118 356 S HN 1.511 nan 8.310 nan 0.000 0.461 357 G N 0.128 108.842 108.800 -0.142 0.000 3.324 357 G HA2 0.733 4.697 3.960 0.008 0.000 0.188 357 G HA3 0.733 4.697 3.960 0.008 0.000 0.188 357 G C -1.408 173.504 174.900 0.019 0.000 1.384 357 G CA -0.158 44.794 45.100 -0.247 0.000 0.841 357 G HN 1.245 nan 8.290 nan 0.000 0.758 358 W N -1.405 119.898 121.300 0.005 0.000 3.083 358 W HA 0.807 5.471 4.660 0.006 0.000 0.333 358 W C -1.723 174.802 176.519 0.010 0.000 1.217 358 W CA -2.158 55.207 57.345 0.033 0.000 1.170 358 W CB 0.431 29.952 29.460 0.102 0.000 1.437 358 W HN 0.374 nan 8.180 nan 0.000 0.557 359 Y N 2.868 123.364 120.300 0.328 0.000 2.379 359 Y HA 0.266 4.821 4.550 0.008 0.000 0.337 359 Y C 0.882 176.849 175.900 0.112 0.000 1.238 359 Y CA -0.648 57.529 58.100 0.129 0.000 1.405 359 Y CB 1.080 39.529 38.460 -0.019 0.000 1.310 359 Y HN 0.476 nan 8.280 nan 0.000 0.569 360 M N 2.317 122.076 119.600 0.265 0.000 2.180 360 M HA 0.214 4.699 4.480 0.008 0.000 0.350 360 M C 0.989 177.294 176.300 0.010 0.000 1.125 360 M CA -0.351 55.030 55.300 0.134 0.000 1.031 360 M CB 1.241 33.898 32.600 0.095 0.000 1.623 360 M HN 0.842 nan 8.290 nan 0.000 0.451 361 S N 1.638 117.296 115.700 -0.070 0.000 2.400 361 S HA -0.221 4.254 4.470 0.008 0.000 0.234 361 S C 1.502 175.970 174.600 -0.220 0.000 1.049 361 S CA 2.360 60.442 58.200 -0.198 0.000 1.039 361 S CB -1.499 61.616 63.200 -0.143 0.000 0.856 361 S HN 0.932 nan 8.310 nan 0.000 0.465 362 T N 0.099 114.561 114.554 -0.153 0.000 2.929 362 T HA -0.030 4.325 4.350 0.008 0.000 0.271 362 T C 1.556 176.114 174.700 -0.236 0.000 1.085 362 T CA 1.226 63.195 62.100 -0.219 0.000 1.125 362 T CB -0.613 68.099 68.868 -0.261 0.000 0.874 362 T HN 0.613 nan 8.240 nan 0.000 0.494 363 E N 0.822 120.904 120.200 -0.196 0.000 2.118 363 E HA -0.054 4.300 4.350 0.008 0.000 0.195 363 E C 1.978 178.328 176.600 -0.417 0.000 0.992 363 E CA 1.381 57.669 56.400 -0.186 0.000 0.804 363 E CB -0.272 29.454 29.700 0.043 0.000 0.741 363 E HN 0.610 nan 8.360 nan 0.000 0.458 364 I N -0.070 120.122 120.570 -0.631 0.000 2.368 364 I HA -0.029 4.146 4.170 0.008 0.000 0.238 364 I C 2.581 178.341 176.117 -0.595 0.000 1.076 364 I CA 0.793 61.543 61.300 -0.918 0.000 1.397 364 I CB -0.518 36.824 38.000 -1.097 0.000 1.141 364 I HN 0.086 nan 8.210 nan 0.000 0.430 365 G N 0.130 108.684 108.800 -0.411 0.000 2.448 365 G HA2 -0.171 3.794 3.960 0.008 0.000 0.219 365 G HA3 -0.171 3.794 3.960 0.008 0.000 0.219 365 G C 1.555 176.340 174.900 -0.192 0.000 1.127 365 G CA 1.607 46.560 45.100 -0.246 0.000 0.766 365 G HN 0.315 nan 8.290 nan 0.000 0.552 366 T N -0.301 114.118 114.554 -0.225 0.000 3.082 366 T HA 0.115 4.469 4.350 0.008 0.000 0.235 366 T C 2.501 177.093 174.700 -0.180 0.000 0.991 366 T CA 0.145 62.134 62.100 -0.185 0.000 1.220 366 T CB 0.092 68.836 68.868 -0.207 0.000 0.909 366 T HN 0.005 nan 8.240 nan 0.000 0.424 367 R N 2.076 122.450 120.500 -0.210 0.000 2.055 367 R HA 0.142 4.487 4.340 0.008 0.000 0.228 367 R C 2.182 178.365 176.300 -0.195 0.000 1.143 367 R CA 1.115 57.102 56.100 -0.189 0.000 0.945 367 R CB -1.215 28.979 30.300 -0.176 0.000 0.841 367 R HN 0.321 nan 8.270 nan 0.000 0.429 368 N N 1.033 119.567 118.700 -0.276 0.000 2.084 368 N HA -0.098 4.647 4.740 0.008 0.000 0.190 368 N C 2.017 177.445 175.510 -0.135 0.000 1.030 368 N CA 1.150 54.032 53.050 -0.281 0.000 0.849 368 N CB -0.314 37.699 38.487 -0.790 0.000 1.012 368 N HN 0.182 nan 8.380 nan 0.000 0.423 369 L N -0.545 120.545 121.223 -0.222 0.000 2.162 369 L HA 0.034 4.379 4.340 0.008 0.000 0.205 369 L C 1.523 178.417 176.870 0.040 0.000 1.086 369 L CA 0.578 55.388 54.840 -0.050 0.000 0.778 369 L CB 0.030 42.032 42.059 -0.095 0.000 0.928 369 L HN 0.176 nan 8.230 nan 0.000 0.446 370 C N -1.546 117.737 119.300 -0.028 0.000 2.926 370 C HA 0.170 4.635 4.460 0.008 0.000 0.272 370 C C 0.712 175.686 174.990 -0.027 0.000 1.249 370 C CA -0.991 58.023 59.018 -0.006 0.000 1.691 370 C CB -0.568 27.158 27.740 -0.023 0.000 1.983 370 C HN 0.291 nan 8.230 nan 0.000 0.615 371 D N 2.931 123.283 120.400 -0.081 0.000 2.443 371 D HA 0.059 4.704 4.640 0.008 0.000 0.239 371 D C -1.001 175.260 176.300 -0.065 0.000 1.136 371 D CA -1.401 52.522 54.000 -0.127 0.000 0.879 371 D CB 0.772 41.344 40.800 -0.379 0.000 1.195 371 D HN 0.180 nan 8.370 nan 0.000 0.443 372 P HA -0.161 nan 4.420 nan 0.000 0.220 372 P C 0.661 178.036 177.300 0.125 0.000 1.148 372 P CA 1.317 64.481 63.100 0.108 0.000 0.803 372 P CB 0.019 31.804 31.700 0.141 0.000 0.782 373 H N -2.385 116.692 119.070 0.012 0.000 2.517 373 H HA 0.357 4.918 4.556 0.008 0.000 0.282 373 H C 1.019 176.352 175.328 0.008 0.000 1.023 373 H CA -0.316 55.736 56.048 0.007 0.000 1.169 373 H CB -0.014 29.752 29.762 0.007 0.000 1.454 373 H HN -0.023 nan 8.280 nan 0.000 0.556 374 R N -0.086 120.290 120.500 -0.206 0.000 2.769 374 R HA 0.177 4.522 4.340 0.008 0.000 0.117 374 R C 1.177 177.427 176.300 -0.083 0.000 1.152 374 R CA -0.622 55.401 56.100 -0.128 0.000 0.887 374 R CB -0.870 29.370 30.300 -0.098 0.000 1.099 374 R HN 0.097 nan 8.270 nan 0.000 0.398 375 Y N 1.657 121.959 120.300 0.004 0.000 2.421 375 Y HA -0.007 4.548 4.550 0.008 0.000 0.292 375 Y C 0.718 176.635 175.900 0.029 0.000 1.136 375 Y CA 1.156 59.278 58.100 0.035 0.000 1.255 375 Y CB -0.264 38.254 38.460 0.098 0.000 0.991 375 Y HN 0.531 nan 8.280 nan 0.000 0.552 376 N N 0.984 119.762 118.700 0.131 0.000 2.688 376 N HA -0.223 4.522 4.740 0.008 0.000 0.258 376 N C 0.466 176.053 175.510 0.127 0.000 1.016 376 N CA 0.366 53.474 53.050 0.098 0.000 0.747 376 N CB -0.998 37.529 38.487 0.066 0.000 0.895 376 N HN 0.619 nan 8.380 nan 0.000 0.543 377 I N -2.964 117.696 120.570 0.150 0.000 3.793 377 I HA 0.024 4.199 4.170 0.008 0.000 0.315 377 I C 1.683 177.894 176.117 0.156 0.000 1.275 377 I CA -0.438 60.951 61.300 0.149 0.000 1.214 377 I CB 0.015 38.110 38.000 0.159 0.000 1.018 377 I HN 0.101 nan 8.210 nan 0.000 0.439 378 L N 1.763 123.088 121.223 0.170 0.000 1.990 378 L HA -0.234 4.111 4.340 0.008 0.000 0.213 378 L C 2.628 179.710 176.870 0.353 0.000 1.072 378 L CA 2.151 57.131 54.840 0.233 0.000 0.755 378 L CB -0.992 41.177 42.059 0.184 0.000 0.889 378 L HN 0.496 nan 8.230 nan 0.000 0.432 379 E N -0.984 119.421 120.200 0.342 0.000 2.077 379 E HA -0.239 4.116 4.350 0.008 0.000 0.193 379 E C 1.705 178.335 176.600 0.049 0.000 0.989 379 E CA 1.388 57.899 56.400 0.184 0.000 0.800 379 E CB 0.047 29.792 29.700 0.074 0.000 0.746 379 E HN 0.510 nan 8.360 nan 0.000 0.452 380 D N -0.015 120.421 120.400 0.060 0.000 2.117 380 D HA -0.143 4.502 4.640 0.008 0.000 0.197 380 D C 2.051 178.346 176.300 -0.007 0.000 0.987 380 D CA 1.015 55.017 54.000 0.005 0.000 0.829 380 D CB -0.164 40.648 40.800 0.021 0.000 0.961 380 D HN 0.133 nan 8.370 nan 0.000 0.460 381 V N 1.328 121.293 119.914 0.086 0.000 2.453 381 V HA -0.145 3.980 4.120 0.008 0.000 0.247 381 V C 2.508 178.679 176.094 0.129 0.000 1.048 381 V CA 1.485 63.879 62.300 0.157 0.000 1.049 381 V CB -0.668 31.336 31.823 0.301 0.000 0.672 381 V HN 0.158 nan 8.190 nan 0.000 0.457 382 A N -0.071 122.839 122.820 0.151 0.000 1.902 382 A HA -0.153 4.172 4.320 0.008 0.000 0.217 382 A C 2.395 179.955 177.584 -0.041 0.000 1.181 382 A CA 1.994 54.115 52.037 0.140 0.000 0.623 382 A CB -0.661 18.508 19.000 0.281 0.000 0.818 382 A HN 0.322 nan 8.150 nan 0.000 0.443 383 V N -0.799 119.042 119.914 -0.122 0.000 2.407 383 V HA -0.314 3.811 4.120 0.008 0.000 0.248 383 V C 2.603 178.544 176.094 -0.255 0.000 1.055 383 V CA 2.052 64.239 62.300 -0.189 0.000 1.049 383 V CB -0.950 30.764 31.823 -0.182 0.000 0.662 383 V HN 0.723 nan 8.190 nan 0.000 0.455 384 C N -0.525 118.555 119.300 -0.366 0.000 2.435 384 C HA -0.089 4.376 4.460 0.008 0.000 0.279 384 C C 2.615 177.201 174.990 -0.675 0.000 1.321 384 C CA 0.796 59.361 59.018 -0.756 0.000 1.752 384 C CB -0.969 25.949 27.740 -1.370 0.000 1.959 384 C HN 0.524 nan 8.230 nan 0.000 0.500 385 M N 0.073 119.516 119.600 -0.261 0.000 2.595 385 M HA 0.026 4.511 4.480 0.008 0.000 0.248 385 M C 0.456 176.740 176.300 -0.028 0.000 1.119 385 M CA 0.964 56.272 55.300 0.012 0.000 1.079 385 M CB -0.446 32.260 32.600 0.176 0.000 1.472 385 M HN 0.277 nan 8.290 nan 0.000 0.501 386 D N 1.364 121.700 120.400 -0.107 0.000 2.716 386 D HA -0.139 4.506 4.640 0.008 0.000 0.239 386 D C -1.080 175.193 176.300 -0.046 0.000 1.125 386 D CA 0.398 54.345 54.000 -0.089 0.000 0.681 386 D CB -0.872 39.884 40.800 -0.074 0.000 1.070 386 D HN 0.293 nan 8.370 nan 0.000 0.432 387 L N -0.143 121.055 121.223 -0.041 0.000 2.352 387 L HA 0.450 4.795 4.340 0.008 0.000 0.269 387 L C 0.835 177.651 176.870 -0.091 0.000 1.034 387 L CA -1.015 53.824 54.840 -0.003 0.000 0.806 387 L CB 0.924 43.047 42.059 0.107 0.000 1.244 387 L HN -0.009 nan 8.230 nan 0.000 0.447 388 D N 0.676 121.044 120.400 -0.052 0.000 2.416 388 D HA 0.010 4.655 4.640 0.008 0.000 0.240 388 D C 1.071 177.186 176.300 -0.309 0.000 1.250 388 D CA -0.075 53.855 54.000 -0.117 0.000 0.967 388 D CB 0.775 41.564 40.800 -0.020 0.000 1.059 388 D HN 0.615 nan 8.370 nan 0.000 0.512 389 T N 0.758 114.937 114.554 -0.625 0.000 3.148 389 T HA 0.054 4.408 4.350 0.008 0.000 0.253 389 T C 1.389 175.712 174.700 -0.628 0.000 1.134 389 T CA 0.111 61.409 62.100 -1.336 0.000 1.051 389 T CB 0.093 68.132 68.868 -1.381 0.000 0.959 389 T HN 0.106 nan 8.240 nan 0.000 0.525 390 R N 0.650 120.986 120.500 -0.273 0.000 2.317 390 R HA 0.321 4.666 4.340 0.008 0.000 0.208 390 R C 0.610 176.926 176.300 0.028 0.000 0.914 390 R CA 0.206 56.250 56.100 -0.095 0.000 1.060 390 R CB 0.416 30.668 30.300 -0.081 0.000 1.015 390 R HN 0.377 nan 8.270 nan 0.000 0.498 391 T N -1.368 113.247 114.554 0.101 0.000 2.971 391 T HA 0.133 4.488 4.350 0.008 0.000 0.304 391 T C 1.093 175.968 174.700 0.291 0.000 1.038 391 T CA -0.470 61.726 62.100 0.161 0.000 1.007 391 T CB 1.400 70.326 68.868 0.096 0.000 1.055 391 T HN 0.236 nan 8.240 nan 0.000 0.451 392 T N 1.193 115.876 114.554 0.215 0.000 2.833 392 T HA -0.116 4.239 4.350 0.008 0.000 0.269 392 T C 2.115 176.869 174.700 0.090 0.000 1.054 392 T CA 1.717 63.903 62.100 0.143 0.000 1.135 392 T CB -0.652 68.254 68.868 0.062 0.000 0.869 392 T HN 0.703 nan 8.240 nan 0.000 0.466 393 S N 2.049 117.804 115.700 0.091 0.000 2.547 393 S HA -0.061 4.414 4.470 0.008 0.000 0.235 393 S C 2.092 176.740 174.600 0.081 0.000 0.980 393 S CA 0.808 59.047 58.200 0.065 0.000 0.941 393 S CB -0.871 62.360 63.200 0.051 0.000 0.763 393 S HN 0.780 nan 8.310 nan 0.000 0.532 394 S N 1.576 117.360 115.700 0.141 0.000 2.527 394 S HA 0.250 4.724 4.470 0.008 0.000 0.222 394 S C 0.954 175.638 174.600 0.139 0.000 0.985 394 S CA 0.176 58.468 58.200 0.155 0.000 0.921 394 S CB -0.927 62.406 63.200 0.221 0.000 0.772 394 S HN 0.610 nan 8.310 nan 0.000 0.529 395 L N 1.074 122.346 121.223 0.082 0.000 3.717 395 L HA -0.170 4.175 4.340 0.008 0.000 0.414 395 L C 1.602 178.478 176.870 0.010 0.000 1.228 395 L CA 0.664 55.492 54.840 -0.020 0.000 0.918 395 L CB -2.410 39.647 42.059 -0.004 0.000 1.865 395 L HN 0.739 nan 8.230 nan 0.000 0.922 396 W N -0.025 121.286 121.300 0.018 0.000 2.363 396 W HA -0.136 4.529 4.660 0.008 0.000 0.296 396 W C 1.726 178.261 176.519 0.028 0.000 1.212 396 W CA 1.295 58.654 57.345 0.022 0.000 1.260 396 W CB -0.701 28.768 29.460 0.016 0.000 1.131 396 W HN 0.271 nan 8.180 nan 0.000 0.530 397 K N 1.062 121.029 120.400 -0.721 0.000 2.057 397 K HA -0.167 4.158 4.320 0.008 0.000 0.207 397 K C 1.532 177.996 176.600 -0.228 0.000 1.049 397 K CA 2.382 58.288 56.287 -0.636 0.000 0.931 397 K CB -0.349 31.627 32.500 -0.873 0.000 0.714 397 K HN 0.057 nan 8.250 nan 0.000 0.440 398 D N 0.637 120.923 120.400 -0.188 0.000 2.097 398 D HA -0.124 4.521 4.640 0.008 0.000 0.195 398 D C 1.696 177.988 176.300 -0.013 0.000 0.989 398 D CA 1.221 55.167 54.000 -0.090 0.000 0.827 398 D CB 0.031 40.786 40.800 -0.074 0.000 0.966 398 D HN 0.118 nan 8.370 nan 0.000 0.456 399 K N 0.519 120.937 120.400 0.031 0.000 2.057 399 K HA -0.029 4.296 4.320 0.008 0.000 0.207 399 K C 2.212 178.879 176.600 0.111 0.000 1.049 399 K CA 1.148 57.483 56.287 0.081 0.000 0.931 399 K CB -0.164 32.404 32.500 0.113 0.000 0.714 399 K HN 0.088 nan 8.250 nan 0.000 0.440 400 A N 1.645 124.551 122.820 0.143 0.000 1.873 400 A HA -0.101 4.224 4.320 0.008 0.000 0.215 400 A C 2.416 180.085 177.584 0.142 0.000 1.186 400 A CA 1.799 53.949 52.037 0.189 0.000 0.616 400 A CB -0.763 18.385 19.000 0.247 0.000 0.823 400 A HN 0.326 nan 8.150 nan 0.000 0.442 401 A N -0.514 122.347 122.820 0.069 0.000 1.908 401 A HA -0.055 4.269 4.320 0.008 0.000 0.218 401 A C 2.238 179.833 177.584 0.019 0.000 1.181 401 A CA 1.932 53.982 52.037 0.022 0.000 0.627 401 A CB -0.996 17.978 19.000 -0.043 0.000 0.818 401 A HN 0.409 nan 8.150 nan 0.000 0.445 402 V N 0.358 120.291 119.914 0.031 0.000 2.295 402 V HA -0.216 3.909 4.120 0.008 0.000 0.246 402 V C 2.524 178.653 176.094 0.058 0.000 1.049 402 V CA 2.156 64.478 62.300 0.038 0.000 1.024 402 V CB -0.693 31.161 31.823 0.051 0.000 0.648 402 V HN 0.546 nan 8.190 nan 0.000 0.447 403 E N -0.185 120.078 120.200 0.106 0.000 2.150 403 E HA -0.097 4.258 4.350 0.008 0.000 0.193 403 E C 2.126 178.774 176.600 0.080 0.000 0.985 403 E CA 1.058 57.558 56.400 0.166 0.000 0.814 403 E CB -0.215 29.584 29.700 0.165 0.000 0.752 403 E HN 0.584 nan 8.360 nan 0.000 0.466 404 I N 1.504 122.135 120.570 0.101 0.000 2.252 404 I HA -0.223 3.952 4.170 0.008 0.000 0.245 404 I C 2.137 178.227 176.117 -0.046 0.000 1.102 404 I CA 0.763 62.118 61.300 0.092 0.000 1.385 404 I CB -0.269 37.841 38.000 0.184 0.000 1.064 404 I HN 0.063 nan 8.210 nan 0.000 0.414 405 N N 0.726 119.398 118.700 -0.048 0.000 2.188 405 N HA -0.156 4.588 4.740 0.008 0.000 0.184 405 N C 1.912 177.364 175.510 -0.096 0.000 1.018 405 N CA 1.086 54.085 53.050 -0.084 0.000 0.858 405 N CB -0.068 38.380 38.487 -0.066 0.000 0.989 405 N HN 0.200 nan 8.380 nan 0.000 0.426 406 L N 1.519 122.681 121.223 -0.102 0.000 2.093 406 L HA -0.018 4.326 4.340 0.008 0.000 0.208 406 L C 2.223 178.934 176.870 -0.265 0.000 1.085 406 L CA 1.298 56.039 54.840 -0.166 0.000 0.755 406 L CB -0.679 41.263 42.059 -0.196 0.000 0.904 406 L HN 0.030 nan 8.230 nan 0.000 0.435 407 A N -1.203 121.403 122.820 -0.357 0.000 1.898 407 A HA -0.125 4.200 4.320 0.008 0.000 0.216 407 A C 2.248 179.739 177.584 -0.154 0.000 1.181 407 A CA 1.858 53.639 52.037 -0.427 0.000 0.620 407 A CB -1.035 17.415 19.000 -0.916 0.000 0.819 407 A HN 0.284 nan 8.150 nan 0.000 0.442 408 V N 0.086 119.929 119.914 -0.119 0.000 2.295 408 V HA -0.268 3.856 4.120 0.008 0.000 0.246 408 V C 2.579 178.660 176.094 -0.021 0.000 1.049 408 V CA 2.017 64.286 62.300 -0.052 0.000 1.024 408 V CB -0.782 30.927 31.823 -0.192 0.000 0.648 408 V HN 0.564 nan 8.190 nan 0.000 0.447 409 L N -0.545 120.636 121.223 -0.070 0.000 2.017 409 L HA -0.217 4.127 4.340 0.008 0.000 0.208 409 L C 2.633 179.523 176.870 0.032 0.000 1.073 409 L CA 2.212 57.031 54.840 -0.035 0.000 0.745 409 L CB -0.791 41.241 42.059 -0.045 0.000 0.894 409 L HN 0.484 nan 8.230 nan 0.000 0.432 410 H N -0.485 118.531 119.070 -0.091 0.000 2.353 410 H HA -0.133 4.428 4.556 0.009 0.000 0.300 410 H C 2.307 177.615 175.328 -0.033 0.000 1.090 410 H CA 1.923 57.913 56.048 -0.096 0.000 1.327 410 H CB 0.074 29.715 29.762 -0.202 0.000 1.383 410 H HN 0.149 nan 8.280 nan 0.000 0.508 411 S N -0.430 115.220 115.700 -0.083 0.000 2.368 411 S HA -0.087 4.388 4.470 0.008 0.000 0.224 411 S C 1.811 176.385 174.600 -0.043 0.000 1.029 411 S CA 1.104 59.249 58.200 -0.092 0.000 0.988 411 S CB -0.374 62.865 63.200 0.065 0.000 0.838 411 S HN 0.324 nan 8.310 nan 0.000 0.462 412 F N 2.032 121.915 119.950 -0.112 0.000 2.146 412 F HA -0.040 4.491 4.527 0.008 0.000 0.298 412 F C 2.617 178.359 175.800 -0.097 0.000 1.096 412 F CA 0.967 58.926 58.000 -0.068 0.000 1.275 412 F CB -0.574 38.410 39.000 -0.026 0.000 1.008 412 F HN 0.201 nan 8.300 nan 0.000 0.480 413 Q N -0.542 119.289 119.800 0.050 0.000 2.167 413 Q HA -0.164 4.181 4.340 0.008 0.000 0.202 413 Q C 2.266 178.201 176.000 -0.108 0.000 0.970 413 Q CA 0.841 56.624 55.803 -0.033 0.000 0.855 413 Q CB -0.273 28.441 28.738 -0.041 0.000 0.911 413 Q HN 0.320 nan 8.270 nan 0.000 0.438 414 L N 0.294 121.395 121.223 -0.203 0.000 2.056 414 L HA -0.012 4.333 4.340 0.008 0.000 0.207 414 L C 1.748 178.528 176.870 -0.151 0.000 1.078 414 L CA 1.712 56.415 54.840 -0.229 0.000 0.749 414 L CB -0.840 40.988 42.059 -0.386 0.000 0.901 414 L HN 0.133 nan 8.230 nan 0.000 0.433 415 A N -0.773 121.954 122.820 -0.154 0.000 2.259 415 A HA 0.010 4.334 4.320 0.008 0.000 0.208 415 A C 0.790 178.303 177.584 -0.117 0.000 1.201 415 A CA -0.107 51.843 52.037 -0.145 0.000 0.824 415 A CB -0.230 18.646 19.000 -0.208 0.000 0.838 415 A HN 0.439 nan 8.150 nan 0.000 0.485 416 K N -0.952 119.393 120.400 -0.091 0.000 3.096 416 K HA -0.134 4.190 4.320 0.008 0.000 0.266 416 K C -0.609 175.954 176.600 -0.061 0.000 1.043 416 K CA 0.825 57.071 56.287 -0.068 0.000 0.758 416 K CB -2.570 29.892 32.500 -0.064 0.000 1.260 416 K HN 0.313 nan 8.250 nan 0.000 0.481 417 V N 0.940 120.826 119.914 -0.048 0.000 2.495 417 V HA 0.198 4.323 4.120 0.008 0.000 0.298 417 V C 0.806 176.975 176.094 0.125 0.000 1.031 417 V CA -0.763 61.537 62.300 -0.001 0.000 0.871 417 V CB 2.057 33.797 31.823 -0.138 0.000 0.988 417 V HN 0.255 nan 8.190 nan 0.000 0.432 418 T N 5.859 120.454 114.554 0.068 0.000 2.934 418 T HA 0.444 4.798 4.350 0.008 0.000 0.306 418 T C -0.297 174.483 174.700 0.133 0.000 1.042 418 T CA 0.737 62.808 62.100 -0.048 0.000 1.145 418 T CB 0.176 68.865 68.868 -0.298 0.000 0.982 418 T HN 0.560 nan 8.240 nan 0.000 0.544 419 I N 2.655 123.235 120.570 0.016 0.000 2.882 419 I HA 0.590 4.764 4.170 0.008 0.000 0.298 419 I C -1.718 174.425 176.117 0.044 0.000 1.462 419 I CA -0.766 60.580 61.300 0.077 0.000 1.000 419 I CB 1.991 39.968 38.000 -0.038 0.000 1.340 419 I HN 0.446 nan 8.210 nan 0.000 0.462 420 V N 5.896 125.892 119.914 0.136 0.000 2.577 420 V HA 0.563 4.688 4.120 0.008 0.000 0.303 420 V C -1.091 175.047 176.094 0.072 0.000 1.042 420 V CA -0.247 62.131 62.300 0.130 0.000 0.872 420 V CB 1.909 33.901 31.823 0.282 0.000 0.998 420 V HN 0.927 nan 8.190 nan 0.000 0.423 421 D N 4.349 124.760 120.400 0.019 0.000 2.371 421 D HA 0.107 4.752 4.640 0.008 0.000 0.242 421 D C 1.345 177.610 176.300 -0.058 0.000 1.218 421 D CA 0.372 54.351 54.000 -0.036 0.000 0.945 421 D CB 0.398 41.139 40.800 -0.099 0.000 1.137 421 D HN 0.739 nan 8.370 nan 0.000 0.464 422 H N -0.389 118.590 119.070 -0.152 0.000 2.491 422 H HA -0.131 4.430 4.556 0.008 0.000 0.290 422 H C 0.965 176.190 175.328 -0.171 0.000 1.050 422 H CA 1.250 57.182 56.048 -0.193 0.000 1.309 422 H CB -0.482 29.113 29.762 -0.278 0.000 1.392 422 H HN 0.504 nan 8.280 nan 0.000 0.554 423 H N 1.235 120.104 119.070 -0.336 0.000 2.333 423 H HA 0.163 4.724 4.556 0.008 0.000 0.302 423 H C 2.550 177.855 175.328 -0.038 0.000 1.075 423 H CA 1.347 57.297 56.048 -0.163 0.000 1.348 423 H CB -0.357 29.275 29.762 -0.217 0.000 1.393 423 H HN 0.509 nan 8.280 nan 0.000 0.509 424 A N 1.295 124.164 122.820 0.081 0.000 1.933 424 A HA -0.072 4.253 4.320 0.008 0.000 0.218 424 A C 2.666 180.320 177.584 0.117 0.000 1.175 424 A CA 1.732 53.823 52.037 0.090 0.000 0.628 424 A CB -0.764 18.279 19.000 0.071 0.000 0.814 424 A HN 0.427 nan 8.150 nan 0.000 0.444 425 A N -0.278 122.608 122.820 0.111 0.000 1.898 425 A HA -0.078 4.246 4.320 0.008 0.000 0.216 425 A C 2.425 180.105 177.584 0.160 0.000 1.181 425 A CA 2.434 54.555 52.037 0.140 0.000 0.620 425 A CB -1.263 17.805 19.000 0.114 0.000 0.819 425 A HN 0.723 nan 8.150 nan 0.000 0.442 426 T N -2.989 111.647 114.554 0.137 0.000 2.942 426 T HA -0.032 4.322 4.350 0.008 0.000 0.265 426 T C 1.696 176.530 174.700 0.224 0.000 1.062 426 T CA 1.203 63.408 62.100 0.175 0.000 1.139 426 T CB -0.602 68.341 68.868 0.125 0.000 0.883 426 T HN 0.031 nan 8.240 nan 0.000 0.468 427 V N 2.906 122.927 119.914 0.178 0.000 2.295 427 V HA -0.178 3.947 4.120 0.008 0.000 0.246 427 V C 3.228 179.419 176.094 0.161 0.000 1.049 427 V CA 2.183 64.576 62.300 0.156 0.000 1.024 427 V CB -0.942 30.953 31.823 0.120 0.000 0.648 427 V HN 0.794 nan 8.190 nan 0.000 0.447 428 S N -0.324 115.479 115.700 0.172 0.000 2.402 428 S HA -0.222 4.253 4.470 0.008 0.000 0.229 428 S C 1.945 176.675 174.600 0.218 0.000 1.021 428 S CA 1.606 59.909 58.200 0.171 0.000 0.974 428 S CB -0.714 62.590 63.200 0.173 0.000 0.800 428 S HN 0.541 nan 8.310 nan 0.000 0.484 429 F N 1.692 121.708 119.950 0.111 0.000 2.325 429 F HA 0.208 4.740 4.527 0.007 0.000 0.299 429 F C 2.149 178.040 175.800 0.152 0.000 1.090 429 F CA 0.853 58.935 58.000 0.136 0.000 1.392 429 F CB -0.233 38.826 39.000 0.099 0.000 1.053 429 F HN 0.108 nan 8.300 nan 0.000 0.521 430 M N 0.088 119.788 119.600 0.168 0.000 2.175 430 M HA -0.138 4.347 4.480 0.008 0.000 0.264 430 M C 2.195 178.483 176.300 -0.019 0.000 1.063 430 M CA 1.377 56.716 55.300 0.065 0.000 1.119 430 M CB -1.110 31.567 32.600 0.128 0.000 1.377 430 M HN 0.055 nan 8.290 nan 0.000 0.415 431 K N -0.256 120.160 120.400 0.027 0.000 2.057 431 K HA -0.200 4.125 4.320 0.008 0.000 0.207 431 K C 1.981 178.564 176.600 -0.028 0.000 1.049 431 K CA 1.723 58.017 56.287 0.012 0.000 0.931 431 K CB -0.629 31.901 32.500 0.050 0.000 0.714 431 K HN 0.367 nan 8.250 nan 0.000 0.440 432 H N 0.057 119.042 119.070 -0.142 0.000 2.353 432 H HA -0.015 4.545 4.556 0.008 0.000 0.300 432 H C 1.694 176.850 175.328 -0.286 0.000 1.090 432 H CA 2.150 58.079 56.048 -0.199 0.000 1.327 432 H CB -0.174 29.432 29.762 -0.260 0.000 1.383 432 H HN 0.173 nan 8.280 nan 0.000 0.508 433 L N -0.173 120.738 121.223 -0.520 0.000 2.046 433 L HA -0.161 4.183 4.340 0.008 0.000 0.208 433 L C 2.324 179.024 176.870 -0.284 0.000 1.077 433 L CA 1.718 56.278 54.840 -0.467 0.000 0.747 433 L CB -0.482 41.377 42.059 -0.334 0.000 0.896 433 L HN 0.389 nan 8.230 nan 0.000 0.432 434 D N 0.102 120.390 120.400 -0.187 0.000 2.097 434 D HA -0.186 4.459 4.640 0.008 0.000 0.195 434 D C 1.860 178.087 176.300 -0.122 0.000 0.989 434 D CA 1.288 55.219 54.000 -0.115 0.000 0.827 434 D CB 0.001 40.762 40.800 -0.064 0.000 0.966 434 D HN 0.139 nan 8.370 nan 0.000 0.456 435 N N 0.652 119.269 118.700 -0.137 0.000 2.069 435 N HA -0.135 4.610 4.740 0.008 0.000 0.191 435 N C 1.608 177.034 175.510 -0.139 0.000 1.031 435 N CA 0.989 53.978 53.050 -0.102 0.000 0.852 435 N CB -0.351 38.102 38.487 -0.056 0.000 1.018 435 N HN 0.357 nan 8.380 nan 0.000 0.423 436 E N 0.505 120.540 120.200 -0.275 0.000 2.268 436 E HA -0.142 4.212 4.350 0.008 0.000 0.195 436 E C 1.807 178.304 176.600 -0.172 0.000 0.995 436 E CA 0.439 56.678 56.400 -0.268 0.000 0.836 436 E CB -0.025 29.398 29.700 -0.463 0.000 0.763 436 E HN 0.363 nan 8.360 nan 0.000 0.491 437 Q N 1.556 121.266 119.800 -0.149 0.000 2.046 437 Q HA -0.101 4.244 4.340 0.008 0.000 0.200 437 Q C 1.791 177.745 176.000 -0.077 0.000 0.975 437 Q CA 1.650 57.394 55.803 -0.098 0.000 0.836 437 Q CB 0.055 28.745 28.738 -0.079 0.000 0.896 437 Q HN 0.111 nan 8.270 nan 0.000 0.428 438 K N -0.557 119.801 120.400 -0.069 0.000 2.057 438 K HA -0.020 4.305 4.320 0.008 0.000 0.206 438 K C 2.040 178.612 176.600 -0.047 0.000 1.050 438 K CA 1.070 57.327 56.287 -0.050 0.000 0.935 438 K CB -0.204 32.273 32.500 -0.039 0.000 0.715 438 K HN 0.248 nan 8.250 nan 0.000 0.439 439 A N 1.366 124.156 122.820 -0.050 0.000 1.872 439 A HA -0.083 4.242 4.320 0.008 0.000 0.214 439 A C 1.831 179.387 177.584 -0.046 0.000 1.187 439 A CA 1.217 53.234 52.037 -0.033 0.000 0.614 439 A CB -0.053 18.942 19.000 -0.009 0.000 0.826 439 A HN 0.173 nan 8.150 nan 0.000 0.442 440 R N -2.533 117.925 120.500 -0.070 0.000 2.531 440 R HA 0.272 4.617 4.340 0.008 0.000 0.316 440 R C 0.766 177.018 176.300 -0.080 0.000 0.955 440 R CA 0.511 56.569 56.100 -0.070 0.000 1.120 440 R CB 0.684 30.938 30.300 -0.076 0.000 1.361 440 R HN 0.710 nan 8.270 nan 0.000 0.534 441 G N 1.038 109.786 108.800 -0.086 0.000 2.182 441 G HA2 -0.152 3.813 3.960 0.008 0.000 0.248 441 G HA3 -0.152 3.813 3.960 0.008 0.000 0.248 441 G C 0.188 175.042 174.900 -0.077 0.000 1.042 441 G CA 0.054 45.094 45.100 -0.099 0.000 0.775 441 G HN 0.723 nan 8.290 nan 0.000 0.501 442 G N -2.417 106.352 108.800 -0.052 0.000 2.356 442 G HA2 0.540 4.504 3.960 0.008 0.000 0.300 442 G HA3 0.540 4.504 3.960 0.008 0.000 0.300 442 G C -0.740 174.161 174.900 0.002 0.000 1.331 442 G CA 0.414 45.519 45.100 0.007 0.000 0.905 442 G HN 2.024 nan 8.290 nan 0.000 0.587 443 C N 2.000 121.332 119.300 0.053 0.000 2.833 443 C HA 0.688 5.152 4.460 0.008 0.000 0.383 443 C C -2.549 172.413 174.990 -0.048 0.000 1.058 443 C CA -1.120 57.881 59.018 -0.029 0.000 1.259 443 C CB 1.250 28.910 27.740 -0.135 0.000 1.726 443 C HN 0.729 nan 8.230 nan 0.000 0.484 444 P HA 0.365 nan 4.420 nan 0.000 0.266 444 P C -0.601 176.586 177.300 -0.188 0.000 1.215 444 P CA 0.679 63.389 63.100 -0.651 0.000 0.763 444 P CB 0.895 32.024 31.700 -0.951 0.000 0.806 445 A N 2.944 125.724 122.820 -0.067 0.000 2.427 445 A HA 0.385 4.709 4.320 0.008 0.000 0.298 445 A C -0.876 176.756 177.584 0.081 0.000 1.036 445 A CA -0.582 51.507 52.037 0.087 0.000 0.701 445 A CB 1.243 20.413 19.000 0.283 0.000 1.250 445 A HN 0.440 nan 8.150 nan 0.000 0.412 446 D N 2.241 122.673 120.400 0.054 0.000 2.456 446 D HA 0.112 4.756 4.640 0.008 0.000 0.219 446 D C 0.827 177.252 176.300 0.208 0.000 1.126 446 D CA -0.440 53.626 54.000 0.110 0.000 0.890 446 D CB 0.360 41.157 40.800 -0.005 0.000 1.025 446 D HN 0.623 nan 8.370 nan 0.000 0.511 447 W N 4.280 125.623 121.300 0.071 0.000 2.304 447 W HA -0.325 4.340 4.660 0.009 0.000 0.315 447 W C 2.009 178.571 176.519 0.071 0.000 1.233 447 W CA 2.488 59.864 57.345 0.051 0.000 1.261 447 W CB -0.029 29.440 29.460 0.014 0.000 1.150 447 W HN 0.563 nan 8.180 nan 0.000 0.494 448 A N -1.155 121.935 122.820 0.450 0.000 1.978 448 A HA -0.221 4.104 4.320 0.008 0.000 0.220 448 A C 1.519 179.159 177.584 0.093 0.000 1.170 448 A CA 1.764 53.981 52.037 0.299 0.000 0.636 448 A CB -1.341 17.872 19.000 0.355 0.000 0.810 448 A HN 0.546 nan 8.150 nan 0.000 0.448 449 W N -0.888 120.379 121.300 -0.055 0.000 2.704 449 W HA 0.180 4.845 4.660 0.008 0.000 0.266 449 W C 1.855 178.258 176.519 -0.194 0.000 1.266 449 W CA -0.062 57.228 57.345 -0.091 0.000 1.377 449 W CB -0.078 29.357 29.460 -0.041 0.000 1.082 449 W HN 0.143 nan 8.180 nan 0.000 0.608 450 I N -0.182 120.344 120.570 -0.072 0.000 2.406 450 I HA -0.064 4.111 4.170 0.008 0.000 0.249 450 I C 0.703 176.611 176.117 -0.348 0.000 1.122 450 I CA 0.745 61.867 61.300 -0.296 0.000 1.431 450 I CB -1.498 36.248 38.000 -0.424 0.000 1.087 450 I HN -0.403 nan 8.210 nan 0.000 0.424 451 V N 3.674 123.294 119.914 -0.490 0.000 2.572 451 V HA 0.105 4.230 4.120 0.008 0.000 0.291 451 V C -1.944 173.973 176.094 -0.295 0.000 1.039 451 V CA -1.137 60.872 62.300 -0.485 0.000 1.055 451 V CB 0.200 31.492 31.823 -0.884 0.000 0.969 451 V HN 0.118 nan 8.190 nan 0.000 0.482 452 P HA 0.103 nan 4.420 nan 0.000 0.268 452 P C -1.763 175.406 177.300 -0.219 0.000 1.208 452 P CA -1.006 61.971 63.100 -0.206 0.000 0.777 452 P CB 0.067 31.643 31.700 -0.206 0.000 0.875 453 P HA -0.034 nan 4.420 nan 0.000 0.230 453 P C 0.222 177.402 177.300 -0.200 0.000 1.158 453 P CA 1.246 64.224 63.100 -0.204 0.000 0.769 453 P CB 0.008 31.584 31.700 -0.206 0.000 0.807 454 I N -7.010 113.398 120.570 -0.269 0.000 2.969 454 I HA 0.463 4.638 4.170 0.008 0.000 0.307 454 I C -0.002 175.966 176.117 -0.247 0.000 1.149 454 I CA -1.264 59.888 61.300 -0.247 0.000 1.008 454 I CB 1.959 39.792 38.000 -0.278 0.000 1.232 454 I HN -0.413 nan 8.210 nan 0.000 0.435 455 S N 2.114 117.732 115.700 -0.137 0.000 3.533 455 S HA -0.203 4.272 4.470 0.008 0.000 0.347 455 S C 1.400 175.965 174.600 -0.059 0.000 1.101 455 S CA 0.847 59.015 58.200 -0.053 0.000 1.009 455 S CB -1.688 61.556 63.200 0.074 0.000 0.916 455 S HN 1.269 nan 8.310 nan 0.000 0.496 456 G N 2.237 110.971 108.800 -0.110 0.000 2.599 456 G HA2 -0.338 3.626 3.960 0.008 0.000 0.219 456 G HA3 -0.338 3.626 3.960 0.008 0.000 0.219 456 G C 1.425 176.179 174.900 -0.244 0.000 1.193 456 G CA 1.558 46.601 45.100 -0.095 0.000 0.778 456 G HN 1.287 nan 8.290 nan 0.000 0.589 457 S N 0.224 115.496 115.700 -0.712 0.000 2.603 457 S HA 0.203 4.678 4.470 0.008 0.000 0.229 457 S C 2.010 176.526 174.600 -0.140 0.000 0.972 457 S CA 0.465 58.091 58.200 -0.955 0.000 0.935 457 S CB -0.132 62.358 63.200 -1.183 0.000 0.769 457 S HN 0.323 nan 8.310 nan 0.000 0.536 458 L N 1.950 123.156 121.223 -0.027 0.000 2.558 458 L HA 0.149 4.494 4.340 0.008 0.000 0.225 458 L C 1.196 178.197 176.870 0.219 0.000 1.128 458 L CA 0.416 55.331 54.840 0.124 0.000 0.868 458 L CB -0.789 41.368 42.059 0.163 0.000 1.006 458 L HN 0.474 nan 8.230 nan 0.000 0.454 459 T N -4.271 110.405 114.554 0.203 0.000 2.925 459 T HA 0.314 4.669 4.350 0.008 0.000 0.285 459 T C -1.682 173.179 174.700 0.269 0.000 1.021 459 T CA -1.990 60.255 62.100 0.240 0.000 1.042 459 T CB 1.957 70.931 68.868 0.176 0.000 1.037 459 T HN -0.201 nan 8.240 nan 0.000 0.481 460 P HA -0.085 nan 4.420 nan 0.000 0.218 460 P C 1.829 179.323 177.300 0.323 0.000 1.149 460 P CA 1.088 64.392 63.100 0.339 0.000 0.817 460 P CB -0.336 31.511 31.700 0.244 0.000 0.785 461 V N -3.639 116.414 119.914 0.231 0.000 2.594 461 V HA -0.201 3.924 4.120 0.008 0.000 0.253 461 V C 2.370 178.560 176.094 0.159 0.000 1.069 461 V CA 1.264 63.677 62.300 0.188 0.000 1.082 461 V CB -2.264 29.606 31.823 0.079 0.000 0.680 461 V HN -0.120 nan 8.190 nan 0.000 0.469 462 F N 2.020 121.924 119.950 -0.077 0.000 2.161 462 F HA -0.155 4.377 4.527 0.008 0.000 0.300 462 F C 2.425 178.314 175.800 0.149 0.000 1.089 462 F CA 2.175 60.145 58.000 -0.050 0.000 1.282 462 F CB -0.297 38.520 39.000 -0.305 0.000 1.010 462 F HN 0.298 nan 8.300 nan 0.000 0.485 463 H N -0.768 118.648 119.070 0.577 0.000 2.533 463 H HA 0.117 4.677 4.556 0.008 0.000 0.271 463 H C 0.177 175.761 175.328 0.426 0.000 1.000 463 H CA 0.250 56.589 56.048 0.485 0.000 1.149 463 H CB -0.350 29.669 29.762 0.428 0.000 1.375 463 H HN 0.272 nan 8.280 nan 0.000 0.582 464 Q N 1.860 121.931 119.800 0.452 0.000 2.348 464 Q HA 0.189 4.534 4.340 0.008 0.000 0.265 464 Q C -0.631 175.598 176.000 0.382 0.000 0.998 464 Q CA -0.499 55.523 55.803 0.364 0.000 0.831 464 Q CB 0.992 29.915 28.738 0.309 0.000 1.251 464 Q HN 0.235 nan 8.270 nan 0.000 0.456 465 E N 3.234 123.598 120.200 0.273 0.000 2.390 465 E HA 0.333 4.688 4.350 0.008 0.000 0.261 465 E C -0.489 176.239 176.600 0.214 0.000 1.076 465 E CA 0.181 56.697 56.400 0.194 0.000 0.905 465 E CB 0.885 30.671 29.700 0.144 0.000 0.984 465 E HN 0.590 nan 8.360 nan 0.000 0.427 466 M N 1.065 120.791 119.600 0.210 0.000 2.531 466 M HA 0.355 4.840 4.480 0.008 0.000 0.286 466 M C -1.332 175.073 176.300 0.175 0.000 1.232 466 M CA -0.947 54.486 55.300 0.222 0.000 0.877 466 M CB 2.476 35.265 32.600 0.315 0.000 1.726 466 M HN 0.155 nan 8.290 nan 0.000 0.463 467 V N 1.493 121.519 119.914 0.187 0.000 2.417 467 V HA 0.437 4.562 4.120 0.008 0.000 0.291 467 V C -0.626 175.591 176.094 0.206 0.000 1.024 467 V CA -0.726 61.712 62.300 0.230 0.000 0.861 467 V CB 1.594 33.606 31.823 0.315 0.000 0.985 467 V HN 0.883 nan 8.190 nan 0.000 0.436 468 N N 3.512 122.319 118.700 0.178 0.000 2.372 468 N HA 0.680 5.425 4.740 0.008 0.000 0.291 468 N C -1.674 173.917 175.510 0.135 0.000 1.024 468 N CA -0.397 52.669 53.050 0.027 0.000 0.873 468 N CB 1.787 40.294 38.487 0.033 0.000 1.206 468 N HN 0.726 nan 8.380 nan 0.000 0.486 469 Y N 0.863 121.175 120.300 0.020 0.000 2.656 469 Y HA 0.509 5.064 4.550 0.008 0.000 0.334 469 Y C -1.324 174.570 175.900 -0.010 0.000 1.179 469 Y CA -1.169 56.937 58.100 0.009 0.000 1.050 469 Y CB 0.668 39.138 38.460 0.017 0.000 1.308 469 Y HN 0.189 nan 8.280 nan 0.000 0.456 470 I N 3.461 124.110 120.570 0.130 0.000 2.304 470 I HA 0.406 4.581 4.170 0.008 0.000 0.291 470 I C -0.701 175.471 176.117 0.090 0.000 1.018 470 I CA -0.376 60.948 61.300 0.039 0.000 1.260 470 I CB 0.881 38.892 38.000 0.017 0.000 1.390 470 I HN 0.424 nan 8.210 nan 0.000 0.475 471 L N 4.996 126.243 121.223 0.039 0.000 2.342 471 L HA 0.556 4.901 4.340 0.008 0.000 0.271 471 L C 0.006 176.869 176.870 -0.012 0.000 1.008 471 L CA -0.518 54.352 54.840 0.051 0.000 0.818 471 L CB 2.101 44.194 42.059 0.057 0.000 1.296 471 L HN 0.521 nan 8.230 nan 0.000 0.427 472 S N 1.771 117.474 115.700 0.004 0.000 2.532 472 S HA 0.627 5.102 4.470 0.008 0.000 0.301 472 S C -2.542 172.060 174.600 0.004 0.000 1.083 472 S CA -1.472 56.714 58.200 -0.023 0.000 1.025 472 S CB 1.796 64.999 63.200 0.004 0.000 1.056 472 S HN 0.239 nan 8.310 nan 0.000 0.494 473 P HA 0.369 nan 4.420 nan 0.000 0.267 473 P C -1.295 175.863 177.300 -0.237 0.000 1.201 473 P CA 0.022 63.006 63.100 -0.193 0.000 0.775 473 P CB 0.496 32.022 31.700 -0.290 0.000 0.854 474 A N 1.378 124.019 122.820 -0.298 0.000 2.609 474 A HA 0.679 5.003 4.320 0.008 0.000 0.291 474 A C -1.707 175.641 177.584 -0.394 0.000 1.096 474 A CA -0.436 51.424 52.037 -0.296 0.000 0.684 474 A CB 0.808 19.714 19.000 -0.156 0.000 1.282 474 A HN 0.281 nan 8.150 nan 0.000 0.412 475 F N 1.285 121.138 119.950 -0.162 0.000 2.385 475 F HA 0.611 5.142 4.527 0.007 0.000 0.360 475 F C 0.938 176.617 175.800 -0.202 0.000 1.122 475 F CA 0.124 58.029 58.000 -0.158 0.000 1.090 475 F CB 1.559 40.421 39.000 -0.229 0.000 1.150 475 F HN 0.546 nan 8.300 nan 0.000 0.472 476 R N 1.761 122.269 120.500 0.014 0.000 2.902 476 R HA 0.539 4.884 4.340 0.008 0.000 0.258 476 R C -1.413 174.854 176.300 -0.055 0.000 1.071 476 R CA -1.174 54.858 56.100 -0.112 0.000 1.024 476 R CB 1.424 31.695 30.300 -0.049 0.000 1.184 476 R HN 0.327 nan 8.270 nan 0.000 0.492 477 Y N 1.098 121.417 120.300 0.031 0.000 2.307 477 Y HA 0.200 4.755 4.550 0.008 0.000 0.324 477 Y C 0.433 176.331 175.900 -0.003 0.000 1.238 477 Y CA -0.498 57.612 58.100 0.017 0.000 1.280 477 Y CB 1.030 39.490 38.460 0.000 0.000 1.248 477 Y HN 0.442 nan 8.280 nan 0.000 0.508 478 Q N 1.421 121.311 119.800 0.150 0.000 2.416 478 Q HA 0.656 5.000 4.340 0.008 0.000 0.281 478 Q C -3.123 172.841 176.000 -0.059 0.000 1.067 478 Q CA -2.476 53.346 55.803 0.032 0.000 0.809 478 Q CB 2.141 30.891 28.738 0.020 0.000 1.418 478 Q HN 0.276 nan 8.270 nan 0.000 0.411 479 P HA 0.045 nan 4.420 nan 0.000 0.269 479 P C -0.890 176.190 177.300 -0.368 0.000 1.215 479 P CA -0.033 62.939 63.100 -0.214 0.000 0.780 479 P CB 0.410 32.002 31.700 -0.181 0.000 0.898 480 D N 3.159 123.204 120.400 -0.592 0.000 2.455 480 D HA -0.010 4.634 4.640 0.008 0.000 0.241 480 D C -1.003 174.700 176.300 -0.995 0.000 1.138 480 D CA -0.850 52.483 54.000 -1.111 0.000 0.877 480 D CB 0.406 40.077 40.800 -1.882 0.000 1.187 480 D HN 0.289 nan 8.370 nan 0.000 0.451 481 P HA -0.112 nan 4.420 nan 0.000 0.220 481 P C 0.489 177.468 177.300 -0.535 0.000 1.148 481 P CA 0.904 63.613 63.100 -0.651 0.000 0.803 481 P CB 0.082 31.358 31.700 -0.707 0.000 0.782 482 W N 0.000 120.881 121.300 -0.698 0.000 2.388 482 W HA 0.000 4.664 4.660 0.007 0.000 0.303 482 W CA 0.000 57.096 57.345 -0.415 0.000 1.226 482 W CB 0.000 29.219 29.460 -0.402 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535