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 1d1v_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 0.009 0.000 0.244 67 G C 0.000 174.832 174.900 -0.113 0.000 0.946 67 G CA 0.000 45.067 45.100 -0.055 0.000 0.502 68 P HA 0.232 nan 4.420 nan 0.000 0.265 68 P C -0.009 177.251 177.300 -0.066 0.000 1.187 68 P CA -0.019 62.957 63.100 -0.206 0.000 0.766 68 P CB 0.771 32.127 31.700 -0.574 0.000 0.820 69 K N 2.720 123.017 120.400 -0.172 0.000 3.025 69 K HA 0.096 4.421 4.320 0.009 0.000 0.260 69 K C -0.763 175.430 176.600 -0.679 0.000 1.023 69 K CA 0.101 56.147 56.287 -0.402 0.000 1.194 69 K CB -0.537 31.659 32.500 -0.508 0.000 1.094 69 K HN 0.355 nan 8.250 nan 0.000 0.460 70 F N -0.414 119.565 119.950 0.048 0.000 2.620 70 F HA 0.380 4.912 4.527 0.009 0.000 0.320 70 F C -2.145 173.760 175.800 0.176 0.000 1.069 70 F CA -2.956 55.098 58.000 0.089 0.000 0.953 70 F CB 0.686 39.738 39.000 0.086 0.000 1.322 70 F HN -0.041 nan 8.300 nan 0.000 0.479 71 P HA 0.046 nan 4.420 nan 0.000 0.262 71 P C -0.776 176.616 177.300 0.153 0.000 1.182 71 P CA -0.033 63.181 63.100 0.190 0.000 0.761 71 P CB 0.437 32.223 31.700 0.143 0.000 0.795 72 R N 3.325 123.849 120.500 0.039 0.000 2.221 72 R HA 0.359 4.704 4.340 0.009 0.000 0.327 72 R C -1.144 175.045 176.300 -0.186 0.000 1.033 72 R CA -0.506 55.428 56.100 -0.277 0.000 0.887 72 R CB 0.427 30.609 30.300 -0.197 0.000 1.057 72 R HN 0.235 nan 8.270 nan 0.000 0.455 73 V N 5.213 124.983 119.914 -0.240 0.000 2.417 73 V HA 0.357 4.482 4.120 0.009 0.000 0.291 73 V C -0.131 175.877 176.094 -0.143 0.000 1.024 73 V CA -0.694 61.544 62.300 -0.105 0.000 0.861 73 V CB 1.462 33.263 31.823 -0.036 0.000 0.985 73 V HN 0.693 nan 8.190 nan 0.000 0.436 74 K N 3.777 124.119 120.400 -0.097 0.000 2.259 74 K HA 0.424 4.749 4.320 0.009 0.000 0.252 74 K C -0.716 175.811 176.600 -0.122 0.000 0.936 74 K CA -0.722 55.437 56.287 -0.213 0.000 0.810 74 K CB 1.587 33.807 32.500 -0.465 0.000 1.143 74 K HN 0.712 nan 8.250 nan 0.000 0.427 75 N N 4.039 122.653 118.700 -0.144 0.000 2.469 75 N HA 0.100 4.846 4.740 0.009 0.000 0.253 75 N C -0.337 175.144 175.510 -0.048 0.000 0.970 75 N CA -0.355 52.713 53.050 0.030 0.000 0.940 75 N CB 0.478 38.998 38.487 0.055 0.000 1.128 75 N HN 0.664 nan 8.380 nan 0.000 0.503 76 W N 2.134 123.506 121.300 0.121 0.000 2.937 76 W HA 0.122 4.787 4.660 0.008 0.000 0.245 76 W C 2.017 178.574 176.519 0.064 0.000 1.306 76 W CA -0.125 57.279 57.345 0.097 0.000 1.470 76 W CB 0.276 29.812 29.460 0.126 0.000 1.132 76 W HN 0.657 nan 8.180 nan 0.000 0.675 77 E N 0.402 120.734 120.200 0.220 0.000 2.060 77 E HA -0.092 4.263 4.350 0.009 0.000 0.189 77 E C 1.800 178.428 176.600 0.046 0.000 0.974 77 E CA 0.922 57.364 56.400 0.071 0.000 0.808 77 E CB -0.226 29.502 29.700 0.047 0.000 0.768 77 E HN 0.234 nan 8.360 nan 0.000 0.453 78 L N -0.713 120.536 121.223 0.043 0.000 2.477 78 L HA 0.261 4.606 4.340 0.009 0.000 0.220 78 L C 1.542 178.395 176.870 -0.028 0.000 1.106 78 L CA 0.485 55.331 54.840 0.010 0.000 0.851 78 L CB 0.302 42.370 42.059 0.015 0.000 0.994 78 L HN 0.446 nan 8.230 nan 0.000 0.462 79 G N 0.650 109.409 108.800 -0.068 0.000 2.162 79 G HA2 -0.306 3.659 3.960 0.009 0.000 0.260 79 G HA3 -0.306 3.659 3.960 0.009 0.000 0.260 79 G C 0.388 175.196 174.900 -0.153 0.000 0.976 79 G CA 0.453 45.466 45.100 -0.145 0.000 0.655 79 G HN 0.473 nan 8.290 nan 0.000 0.533 80 S N -0.106 115.526 115.700 -0.115 0.000 2.601 80 S HA 0.796 5.272 4.470 0.009 0.000 0.271 80 S C 0.148 174.664 174.600 -0.140 0.000 1.305 80 S CA -0.686 57.455 58.200 -0.098 0.000 1.022 80 S CB 2.097 65.264 63.200 -0.055 0.000 0.940 80 S HN 0.446 nan 8.310 nan 0.000 0.525 81 I N 1.960 122.453 120.570 -0.128 0.000 2.689 81 I HA 0.597 4.772 4.170 0.009 0.000 0.299 81 I C 0.210 176.231 176.117 -0.160 0.000 1.059 81 I CA -0.246 60.944 61.300 -0.182 0.000 1.055 81 I CB 1.873 39.754 38.000 -0.199 0.000 1.243 81 I HN 1.075 nan 8.210 nan 0.000 0.425 82 T N 1.447 115.853 114.554 -0.247 0.000 2.816 82 T HA 0.693 5.048 4.350 0.009 0.000 0.299 82 T C -1.433 173.052 174.700 -0.358 0.000 1.230 82 T CA -0.711 61.289 62.100 -0.166 0.000 1.007 82 T CB 1.960 70.785 68.868 -0.071 0.000 1.289 82 T HN 0.266 nan 8.240 nan 0.000 0.508 83 Y N 0.171 120.464 120.300 -0.011 0.000 2.376 83 Y HA 0.498 5.053 4.550 0.008 0.000 0.340 83 Y C -0.127 175.751 175.900 -0.037 0.000 0.965 83 Y CA -0.969 57.137 58.100 0.010 0.000 1.078 83 Y CB 1.804 40.281 38.460 0.029 0.000 1.193 83 Y HN 0.733 nan 8.280 nan 0.000 0.452 84 D N 1.993 122.469 120.400 0.127 0.000 2.347 84 D HA 0.089 4.734 4.640 0.009 0.000 0.235 84 D C 0.671 176.940 176.300 -0.052 0.000 1.149 84 D CA 0.116 54.145 54.000 0.048 0.000 0.850 84 D CB 1.308 42.174 40.800 0.110 0.000 1.061 84 D HN 0.809 nan 8.370 nan 0.000 0.487 85 T N 1.148 115.542 114.554 -0.267 0.000 3.014 85 T HA -0.054 4.301 4.350 0.009 0.000 0.250 85 T C 1.875 176.426 174.700 -0.247 0.000 1.060 85 T CA -0.225 61.538 62.100 -0.560 0.000 1.040 85 T CB 0.094 68.439 68.868 -0.872 0.000 0.971 85 T HN 0.258 nan 8.240 nan 0.000 0.497 86 L N 2.575 123.700 121.223 -0.164 0.000 2.131 86 L HA 0.013 4.358 4.340 0.009 0.000 0.210 86 L C 2.665 179.369 176.870 -0.276 0.000 1.092 86 L CA 1.378 56.150 54.840 -0.114 0.000 0.759 86 L CB -1.000 41.076 42.059 0.028 0.000 0.903 86 L HN 0.670 nan 8.230 nan 0.000 0.435 87 C N -1.419 117.520 119.300 -0.602 0.000 2.409 87 C HA -0.007 4.459 4.460 0.009 0.000 0.284 87 C C 2.761 177.514 174.990 -0.394 0.000 1.354 87 C CA 0.206 58.577 59.018 -1.078 0.000 1.787 87 C CB -2.311 24.836 27.740 -0.988 0.000 1.900 87 C HN 0.584 nan 8.230 nan 0.000 0.520 88 A N -0.087 122.646 122.820 -0.145 0.000 2.121 88 A HA -0.074 4.252 4.320 0.009 0.000 0.218 88 A C 2.299 179.869 177.584 -0.024 0.000 1.154 88 A CA 1.308 53.342 52.037 -0.005 0.000 0.679 88 A CB -0.430 18.659 19.000 0.149 0.000 0.795 88 A HN 0.715 nan 8.150 nan 0.000 0.458 89 Q N -0.086 119.681 119.800 -0.055 0.000 2.424 89 Q HA 0.062 4.407 4.340 0.009 0.000 0.204 89 Q C 0.836 176.844 176.000 0.013 0.000 0.933 89 Q CA 0.307 56.105 55.803 -0.008 0.000 0.929 89 Q CB -0.236 28.506 28.738 0.006 0.000 1.037 89 Q HN 0.523 nan 8.270 nan 0.000 0.511 90 S N 1.138 116.833 115.700 -0.008 0.000 2.546 90 S HA -0.026 4.449 4.470 0.009 0.000 0.290 90 S C 0.940 175.564 174.600 0.040 0.000 1.290 90 S CA 0.141 58.371 58.200 0.050 0.000 1.069 90 S CB 0.459 63.699 63.200 0.067 0.000 0.846 90 S HN 0.153 nan 8.310 nan 0.000 0.495 91 Q N 2.547 122.377 119.800 0.051 0.000 2.217 91 Q HA 0.223 4.568 4.340 0.009 0.000 0.217 91 Q C 0.067 176.091 176.000 0.039 0.000 0.844 91 Q CA 0.136 55.964 55.803 0.041 0.000 0.957 91 Q CB 0.607 29.372 28.738 0.046 0.000 1.127 91 Q HN 0.768 nan 8.270 nan 0.000 0.503 92 Q N 0.995 120.823 119.800 0.047 0.000 2.356 92 Q HA 0.226 4.571 4.340 0.009 0.000 0.270 92 Q C -1.380 174.649 176.000 0.048 0.000 1.058 92 Q CA -0.516 55.311 55.803 0.041 0.000 0.802 92 Q CB 1.645 30.404 28.738 0.035 0.000 1.303 92 Q HN -0.056 nan 8.270 nan 0.000 0.444 93 D N 1.872 122.295 120.400 0.039 0.000 2.345 93 D HA 0.305 4.950 4.640 0.009 0.000 0.247 93 D C 0.181 176.507 176.300 0.044 0.000 1.108 93 D CA 0.237 54.262 54.000 0.042 0.000 0.894 93 D CB 1.390 42.209 40.800 0.032 0.000 1.203 93 D HN 0.674 nan 8.370 nan 0.000 0.430 94 G N 0.767 109.599 108.800 0.052 0.000 2.531 94 G HA2 0.338 4.303 3.960 0.009 0.000 0.281 94 G HA3 0.338 4.303 3.960 0.009 0.000 0.281 94 G C -1.577 173.349 174.900 0.043 0.000 1.382 94 G CA -0.625 44.505 45.100 0.050 0.000 1.045 94 G HN 0.343 nan 8.290 nan 0.000 0.533 95 P HA 0.162 nan 4.420 nan 0.000 0.245 95 P C 0.289 177.610 177.300 0.036 0.000 1.203 95 P CA -0.016 63.107 63.100 0.038 0.000 0.792 95 P CB 0.188 31.912 31.700 0.040 0.000 0.997 96 C N 0.881 120.205 119.300 0.040 0.000 2.520 96 C HA 0.613 5.078 4.460 0.009 0.000 0.376 96 C C 1.040 176.048 174.990 0.030 0.000 1.268 96 C CA 0.162 59.201 59.018 0.036 0.000 2.414 96 C CB 0.834 28.599 27.740 0.041 0.000 2.521 96 C HN 0.372 nan 8.230 nan 0.000 0.618 97 T N -1.722 112.847 114.554 0.024 0.000 2.843 97 T HA 0.412 4.767 4.350 0.009 0.000 0.302 97 T C -2.496 172.214 174.700 0.016 0.000 1.232 97 T CA -1.090 61.021 62.100 0.019 0.000 1.009 97 T CB 1.304 70.181 68.868 0.015 0.000 1.254 97 T HN 0.262 nan 8.240 nan 0.000 0.504 98 P HA -0.002 nan 4.420 nan 0.000 0.219 98 P C 1.475 178.780 177.300 0.008 0.000 1.146 98 P CA 0.674 63.780 63.100 0.010 0.000 0.808 98 P CB 0.146 31.850 31.700 0.007 0.000 0.779 99 R N -0.240 120.265 120.500 0.008 0.000 2.075 99 R HA -0.038 4.307 4.340 0.009 0.000 0.226 99 R C 0.570 176.874 176.300 0.007 0.000 1.114 99 R CA 0.902 57.006 56.100 0.007 0.000 0.972 99 R CB 0.205 30.509 30.300 0.007 0.000 0.869 99 R HN 0.075 nan 8.270 nan 0.000 0.437 100 R N -0.221 120.285 120.500 0.010 0.000 2.594 100 R HA 0.148 4.493 4.340 0.009 0.000 0.265 100 R C -1.770 174.539 176.300 0.015 0.000 1.070 100 R CA -0.719 55.387 56.100 0.010 0.000 0.909 100 R CB 0.124 30.430 30.300 0.010 0.000 1.243 100 R HN 0.089 nan 8.270 nan 0.000 0.455 101 C N 4.098 123.407 119.300 0.014 0.000 2.347 101 C HA 0.539 5.005 4.460 0.009 0.000 0.353 101 C C 0.858 175.864 174.990 0.026 0.000 1.273 101 C CA -0.631 58.399 59.018 0.020 0.000 1.861 101 C CB -0.867 26.881 27.740 0.012 0.000 2.420 101 C HN 0.770 nan 8.230 nan 0.000 0.542 102 L N 5.784 127.028 121.223 0.035 0.000 3.110 102 L HA 0.277 4.622 4.340 0.009 0.000 0.266 102 L C 2.064 178.970 176.870 0.059 0.000 1.257 102 L CA 0.220 55.085 54.840 0.042 0.000 1.038 102 L CB -0.138 41.944 42.059 0.039 0.000 1.395 102 L HN 1.022 nan 8.230 nan 0.000 0.566 103 G N 0.330 109.167 108.800 0.062 0.000 2.498 103 G HA2 -0.253 3.712 3.960 0.009 0.000 0.219 103 G HA3 -0.253 3.712 3.960 0.009 0.000 0.219 103 G C 1.513 176.485 174.900 0.120 0.000 1.119 103 G CA 1.146 46.297 45.100 0.085 0.000 0.766 103 G HN 0.510 nan 8.290 nan 0.000 0.552 104 S N -0.728 115.038 115.700 0.110 0.000 2.575 104 S HA 0.367 4.843 4.470 0.009 0.000 0.215 104 S C 0.495 175.182 174.600 0.144 0.000 0.966 104 S CA -0.518 57.766 58.200 0.140 0.000 0.911 104 S CB 0.058 63.320 63.200 0.103 0.000 0.780 104 S HN -0.024 nan 8.310 nan 0.000 0.514 105 L N 2.233 123.529 121.223 0.121 0.000 2.331 105 L HA 0.313 4.658 4.340 0.009 0.000 0.278 105 L C 1.355 178.315 176.870 0.151 0.000 1.106 105 L CA 0.074 54.981 54.840 0.110 0.000 0.824 105 L CB 1.057 43.159 42.059 0.073 0.000 1.142 105 L HN -0.011 nan 8.230 nan 0.000 0.443 106 V N 3.936 123.949 119.914 0.166 0.000 2.261 106 V HA -0.155 3.970 4.120 0.009 0.000 0.246 106 V C 0.982 177.146 176.094 0.115 0.000 1.047 106 V CA 1.400 63.833 62.300 0.222 0.000 1.015 106 V CB -0.363 31.578 31.823 0.197 0.000 0.642 106 V HN 0.530 nan 8.190 nan 0.000 0.446 107 L N 1.326 122.569 121.223 0.033 0.000 2.556 107 L HA 0.396 4.741 4.340 0.009 0.000 0.243 107 L C -2.645 174.235 176.870 0.016 0.000 1.331 107 L CA -1.352 53.476 54.840 -0.020 0.000 0.927 107 L CB 0.730 42.704 42.059 -0.142 0.000 1.219 107 L HN 0.213 nan 8.230 nan 0.000 0.490 108 P HA 0.184 nan 4.420 nan 0.000 0.275 108 P C -0.154 177.167 177.300 0.036 0.000 1.227 108 P CA -0.551 62.573 63.100 0.039 0.000 0.781 108 P CB 0.626 32.355 31.700 0.048 0.000 0.906 109 R N 3.448 123.962 120.500 0.022 0.000 3.688 109 R HA 0.127 4.473 4.340 0.009 0.000 0.194 109 R C 0.465 176.779 176.300 0.023 0.000 1.677 109 R CA 0.260 56.372 56.100 0.019 0.000 1.351 109 R CB -0.387 29.916 30.300 0.006 0.000 1.338 109 R HN 0.407 nan 8.270 nan 0.000 0.731 110 K N 0.136 120.556 120.400 0.034 0.000 3.332 110 K HA 0.262 4.587 4.320 0.009 0.000 0.254 110 K C 1.938 178.558 176.600 0.034 0.000 1.304 110 K CA -0.255 56.051 56.287 0.031 0.000 1.215 110 K CB -0.857 31.663 32.500 0.033 0.000 2.064 110 K HN 0.082 nan 8.250 nan 0.000 0.423 111 L N 1.783 123.030 121.223 0.040 0.000 2.030 111 L HA -0.247 4.098 4.340 0.009 0.000 0.222 111 L C 0.759 177.657 176.870 0.046 0.000 1.082 111 L CA 1.214 56.075 54.840 0.036 0.000 0.785 111 L CB -0.711 41.369 42.059 0.035 0.000 0.895 111 L HN 0.456 nan 8.230 nan 0.000 0.439 112 Q N 1.644 121.490 119.800 0.076 0.000 3.646 112 Q HA -0.188 4.157 4.340 0.009 0.000 0.319 112 Q C 0.201 176.224 176.000 0.037 0.000 1.351 112 Q CA 0.901 56.748 55.803 0.073 0.000 0.985 112 Q CB -0.322 28.441 28.738 0.041 0.000 1.010 112 Q HN 0.440 nan 8.270 nan 0.000 0.470 113 T N 2.217 116.795 114.554 0.040 0.000 4.219 113 T HA 0.266 4.621 4.350 0.009 0.000 0.263 113 T C 0.208 174.905 174.700 -0.005 0.000 1.217 113 T CA -0.700 61.408 62.100 0.014 0.000 1.145 113 T CB 0.008 68.885 68.868 0.016 0.000 1.298 113 T HN 0.444 nan 8.240 nan 0.000 0.999 114 R N 2.802 123.295 120.500 -0.013 0.000 2.623 114 R HA 0.263 4.608 4.340 0.009 0.000 0.271 114 R C -2.427 173.854 176.300 -0.033 0.000 1.043 114 R CA -1.690 54.392 56.100 -0.031 0.000 1.083 114 R CB -0.402 29.881 30.300 -0.028 0.000 0.974 114 R HN 0.297 nan 8.270 nan 0.000 0.436 115 P HA -0.007 nan 4.420 nan 0.000 0.258 115 P C -1.054 176.228 177.300 -0.029 0.000 1.187 115 P CA 0.495 63.571 63.100 -0.039 0.000 0.767 115 P CB 0.538 32.208 31.700 -0.050 0.000 0.770 116 S N 3.367 119.052 115.700 -0.025 0.000 2.497 116 S HA 0.363 4.838 4.470 0.009 0.000 0.176 116 S C -1.661 172.927 174.600 -0.019 0.000 1.445 116 S CA -1.208 56.980 58.200 -0.020 0.000 1.092 116 S CB -0.021 63.168 63.200 -0.019 0.000 1.216 116 S HN 0.162 nan 8.310 nan 0.000 0.486 117 P HA -0.064 nan 4.420 nan 0.000 0.212 117 P C 1.033 178.327 177.300 -0.010 0.000 0.886 117 P CA 1.291 64.384 63.100 -0.013 0.000 1.017 117 P CB -0.708 30.986 31.700 -0.010 0.000 0.686 118 G N 1.257 110.053 108.800 -0.006 0.000 2.115 118 G HA2 0.035 4.000 3.960 0.009 0.000 0.244 118 G HA3 0.035 4.000 3.960 0.009 0.000 0.244 118 G C -2.197 172.700 174.900 -0.005 0.000 1.105 118 G CA -0.492 44.606 45.100 -0.004 0.000 0.893 118 G HN 0.203 nan 8.290 nan 0.000 0.443 119 P HA 0.004 nan 4.420 nan 0.000 0.265 119 P C -1.703 175.595 177.300 -0.003 0.000 1.167 119 P CA -0.296 62.802 63.100 -0.004 0.000 0.760 119 P CB 0.115 31.817 31.700 0.003 0.000 0.783 120 P HA 0.252 nan 4.420 nan 0.000 0.276 120 P C -2.542 174.762 177.300 0.007 0.000 1.244 120 P CA -1.694 61.406 63.100 -0.001 0.000 0.801 120 P CB -0.467 31.230 31.700 -0.006 0.000 1.006 121 P HA 0.037 nan 4.420 nan 0.000 0.261 121 P C 0.912 178.221 177.300 0.015 0.000 1.203 121 P CA 0.254 63.360 63.100 0.010 0.000 0.767 121 P CB 0.035 31.740 31.700 0.009 0.000 0.785 122 A N 4.432 127.262 122.820 0.016 0.000 1.958 122 A HA -0.271 4.055 4.320 0.009 0.000 0.221 122 A C 1.882 179.475 177.584 0.015 0.000 1.178 122 A CA 1.707 53.756 52.037 0.020 0.000 0.642 122 A CB -0.727 18.284 19.000 0.018 0.000 0.816 122 A HN 0.599 nan 8.150 nan 0.000 0.453 123 E N -1.188 119.019 120.200 0.011 0.000 2.077 123 E HA -0.250 4.105 4.350 0.009 0.000 0.193 123 E C 2.237 178.845 176.600 0.013 0.000 0.989 123 E CA 1.349 57.754 56.400 0.009 0.000 0.800 123 E CB -0.152 29.552 29.700 0.007 0.000 0.746 123 E HN 0.736 nan 8.360 nan 0.000 0.452 124 Q N 1.093 120.903 119.800 0.016 0.000 2.016 124 Q HA -0.169 4.176 4.340 0.009 0.000 0.200 124 Q C 2.116 178.133 176.000 0.030 0.000 0.978 124 Q CA 1.108 56.923 55.803 0.020 0.000 0.833 124 Q CB -0.297 28.451 28.738 0.016 0.000 0.895 124 Q HN 0.250 nan 8.270 nan 0.000 0.427 125 L N -0.245 121.000 121.223 0.035 0.000 2.046 125 L HA -0.133 4.212 4.340 0.009 0.000 0.208 125 L C 2.057 178.960 176.870 0.055 0.000 1.077 125 L CA 1.668 56.545 54.840 0.062 0.000 0.747 125 L CB -0.799 41.306 42.059 0.078 0.000 0.896 125 L HN 0.394 nan 8.230 nan 0.000 0.432 126 L N -1.042 120.192 121.223 0.019 0.000 2.012 126 L HA -0.265 4.080 4.340 0.009 0.000 0.210 126 L C 2.683 179.551 176.870 -0.004 0.000 1.073 126 L CA 2.163 56.991 54.840 -0.020 0.000 0.748 126 L CB -0.955 41.092 42.059 -0.021 0.000 0.891 126 L HN 0.491 nan 8.230 nan 0.000 0.431 127 S N -0.784 114.926 115.700 0.017 0.000 2.359 127 S HA -0.260 4.215 4.470 0.009 0.000 0.224 127 S C 1.852 176.486 174.600 0.056 0.000 1.035 127 S CA 1.599 59.817 58.200 0.029 0.000 1.018 127 S CB -0.006 63.211 63.200 0.028 0.000 0.876 127 S HN 0.474 nan 8.310 nan 0.000 0.448 128 Q N 0.168 120.009 119.800 0.069 0.000 2.084 128 Q HA -0.030 4.315 4.340 0.009 0.000 0.202 128 Q C 2.508 178.605 176.000 0.163 0.000 0.978 128 Q CA 1.411 57.278 55.803 0.106 0.000 0.844 128 Q CB -0.375 28.418 28.738 0.092 0.000 0.898 128 Q HN 0.684 nan 8.270 nan 0.000 0.426 129 A N 1.371 124.267 122.820 0.127 0.000 1.877 129 A HA -0.209 4.116 4.320 0.009 0.000 0.216 129 A C 2.001 179.656 177.584 0.118 0.000 1.186 129 A CA 1.360 53.464 52.037 0.111 0.000 0.620 129 A CB -0.429 18.414 19.000 -0.261 0.000 0.822 129 A HN 0.218 nan 8.150 nan 0.000 0.443 130 R N -0.589 119.942 120.500 0.051 0.000 2.091 130 R HA -0.178 4.167 4.340 0.009 0.000 0.238 130 R C 2.010 178.384 176.300 0.123 0.000 1.136 130 R CA 1.652 57.791 56.100 0.066 0.000 0.959 130 R CB -0.571 29.746 30.300 0.029 0.000 0.856 130 R HN 0.718 nan 8.270 nan 0.000 0.437 131 D N 0.269 120.750 120.400 0.136 0.000 2.104 131 D HA -0.213 4.432 4.640 0.009 0.000 0.194 131 D C 1.667 178.087 176.300 0.201 0.000 0.994 131 D CA 1.063 55.152 54.000 0.149 0.000 0.830 131 D CB -0.083 40.801 40.800 0.140 0.000 0.959 131 D HN 0.144 nan 8.370 nan 0.000 0.452 132 F N 0.795 120.833 119.950 0.146 0.000 2.134 132 F HA -0.084 4.447 4.527 0.007 0.000 0.299 132 F C 1.936 177.883 175.800 0.245 0.000 1.097 132 F CA 1.017 59.141 58.000 0.207 0.000 1.264 132 F CB -0.256 38.872 39.000 0.213 0.000 1.001 132 F HN -0.010 nan 8.300 nan 0.000 0.479 133 I N 1.049 121.614 120.570 -0.008 0.000 2.264 133 I HA -0.310 3.866 4.170 0.009 0.000 0.248 133 I C 1.942 178.065 176.117 0.009 0.000 1.111 133 I CA 1.207 62.497 61.300 -0.017 0.000 1.382 133 I CB -1.661 36.439 38.000 0.166 0.000 1.060 133 I HN 0.245 nan 8.210 nan 0.000 0.418 134 N N 0.907 119.644 118.700 0.061 0.000 2.120 134 N HA -0.180 4.565 4.740 0.009 0.000 0.188 134 N C 1.836 177.297 175.510 -0.081 0.000 1.024 134 N CA 1.061 54.135 53.050 0.040 0.000 0.852 134 N CB -0.375 38.192 38.487 0.134 0.000 1.003 134 N HN 0.497 nan 8.380 nan 0.000 0.424 135 Q N -0.511 119.255 119.800 -0.056 0.000 2.096 135 Q HA -0.184 4.161 4.340 0.009 0.000 0.204 135 Q C 1.786 177.583 176.000 -0.338 0.000 0.982 135 Q CA 1.288 57.070 55.803 -0.036 0.000 0.850 135 Q CB -0.269 28.588 28.738 0.200 0.000 0.901 135 Q HN 0.449 nan 8.270 nan 0.000 0.422 136 Y N 0.079 119.962 120.300 -0.695 0.000 2.114 136 Y HA -0.304 4.251 4.550 0.007 0.000 0.284 136 Y C 1.788 177.161 175.900 -0.879 0.000 1.143 136 Y CA 1.687 59.115 58.100 -1.121 0.000 1.135 136 Y CB -0.528 37.350 38.460 -0.969 0.000 0.980 136 Y HN 0.083 nan 8.280 nan 0.000 0.499 137 Y N -0.827 119.071 120.300 -0.670 0.000 2.333 137 Y HA -0.195 4.361 4.550 0.010 0.000 0.290 137 Y C 3.044 178.629 175.900 -0.526 0.000 1.144 137 Y CA 1.687 59.387 58.100 -0.667 0.000 1.228 137 Y CB -0.714 37.242 38.460 -0.840 0.000 0.985 137 Y HN 0.215 nan 8.280 nan 0.000 0.542 138 S N -0.618 114.879 115.700 -0.338 0.000 2.383 138 S HA -0.184 4.291 4.470 0.009 0.000 0.227 138 S C 2.344 176.779 174.600 -0.275 0.000 1.026 138 S CA 1.402 59.472 58.200 -0.216 0.000 0.981 138 S CB -0.603 62.519 63.200 -0.129 0.000 0.818 138 S HN 0.582 nan 8.310 nan 0.000 0.472 139 S N 1.818 117.249 115.700 -0.449 0.000 2.423 139 S HA -0.025 4.450 4.470 0.009 0.000 0.231 139 S C 1.629 175.981 174.600 -0.415 0.000 1.014 139 S CA 0.991 58.942 58.200 -0.414 0.000 0.965 139 S CB -0.885 61.923 63.200 -0.654 0.000 0.785 139 S HN 0.809 nan 8.310 nan 0.000 0.495 140 I N -3.200 117.030 120.570 -0.567 0.000 3.904 140 I HA 0.426 4.601 4.170 0.009 0.000 0.333 140 I C -0.378 175.578 176.117 -0.268 0.000 1.361 140 I CA -0.577 60.460 61.300 -0.438 0.000 1.116 140 I CB -0.052 37.587 38.000 -0.602 0.000 1.028 140 I HN -0.142 nan 8.210 nan 0.000 0.398 141 K N 2.240 122.509 120.400 -0.218 0.000 3.096 141 K HA -0.145 4.180 4.320 0.009 0.000 0.266 141 K C -0.121 176.435 176.600 -0.074 0.000 1.043 141 K CA 0.491 56.705 56.287 -0.121 0.000 0.758 141 K CB -1.594 30.853 32.500 -0.089 0.000 1.260 141 K HN 0.590 nan 8.250 nan 0.000 0.481 142 R N -0.683 119.783 120.500 -0.057 0.000 2.668 142 R HA 0.126 4.471 4.340 0.009 0.000 0.435 142 R C -0.381 175.993 176.300 0.123 0.000 1.059 142 R CA -0.291 55.840 56.100 0.051 0.000 1.073 142 R CB 0.664 31.033 30.300 0.115 0.000 1.401 142 R HN 0.030 nan 8.270 nan 0.000 0.590 143 S N -0.089 115.657 115.700 0.077 0.000 2.549 143 S HA 0.308 4.783 4.470 0.009 0.000 0.283 143 S C 1.331 176.052 174.600 0.202 0.000 1.320 143 S CA 0.940 59.251 58.200 0.185 0.000 1.058 143 S CB 1.059 64.316 63.200 0.095 0.000 0.882 143 S HN 0.679 nan 8.310 nan 0.000 0.498 144 G N 2.186 111.161 108.800 0.292 0.000 2.179 144 G HA2 -0.312 3.653 3.960 0.009 0.000 0.260 144 G HA3 -0.312 3.653 3.960 0.009 0.000 0.260 144 G C 0.328 175.219 174.900 -0.015 0.000 0.977 144 G CA 0.289 45.397 45.100 0.014 0.000 0.641 144 G HN 1.146 nan 8.290 nan 0.000 0.533 145 S N -0.654 115.075 115.700 0.048 0.000 2.624 145 S HA 0.471 4.946 4.470 0.009 0.000 0.263 145 S C 1.337 175.917 174.600 -0.033 0.000 1.287 145 S CA 0.715 58.926 58.200 0.018 0.000 0.990 145 S CB 1.481 64.719 63.200 0.063 0.000 0.950 145 S HN 0.566 nan 8.310 nan 0.000 0.561 146 Q N 0.756 120.542 119.800 -0.023 0.000 2.050 146 Q HA -0.146 4.199 4.340 0.009 0.000 0.202 146 Q C 2.263 178.235 176.000 -0.046 0.000 0.980 146 Q CA 1.667 57.447 55.803 -0.037 0.000 0.840 146 Q CB -0.851 27.878 28.738 -0.014 0.000 0.898 146 Q HN 0.940 nan 8.270 nan 0.000 0.424 147 A N 0.279 123.096 122.820 -0.006 0.000 1.940 147 A HA -0.271 4.054 4.320 0.009 0.000 0.219 147 A C 1.897 179.362 177.584 -0.199 0.000 1.176 147 A CA 1.842 53.889 52.037 0.018 0.000 0.631 147 A CB -1.120 17.986 19.000 0.176 0.000 0.814 147 A HN 0.743 nan 8.150 nan 0.000 0.446 148 H N -0.811 117.906 119.070 -0.588 0.000 2.293 148 H HA -0.114 4.448 4.556 0.009 0.000 0.300 148 H C 1.953 176.951 175.328 -0.549 0.000 1.082 148 H CA 1.232 56.597 56.048 -1.137 0.000 1.308 148 H CB 0.101 29.407 29.762 -0.760 0.000 1.375 148 H HN 0.418 nan 8.280 nan 0.000 0.495 149 E N 0.654 120.675 120.200 -0.299 0.000 2.153 149 E HA -0.155 4.200 4.350 0.009 0.000 0.194 149 E C 2.065 178.576 176.600 -0.148 0.000 0.988 149 E CA 0.982 57.227 56.400 -0.260 0.000 0.811 149 E CB -0.084 29.495 29.700 -0.202 0.000 0.746 149 E HN 0.708 nan 8.360 nan 0.000 0.466 150 E N 0.434 120.569 120.200 -0.109 0.000 2.072 150 E HA -0.156 4.199 4.350 0.009 0.000 0.190 150 E C 2.173 178.756 176.600 -0.028 0.000 0.982 150 E CA 0.665 57.034 56.400 -0.051 0.000 0.803 150 E CB -0.049 29.639 29.700 -0.020 0.000 0.755 150 E HN -0.071 nan 8.360 nan 0.000 0.453 151 R N 1.422 121.901 120.500 -0.035 0.000 2.081 151 R HA -0.086 4.259 4.340 0.009 0.000 0.235 151 R C 2.067 178.378 176.300 0.019 0.000 1.131 151 R CA 1.152 57.276 56.100 0.039 0.000 0.960 151 R CB -0.610 29.766 30.300 0.128 0.000 0.856 151 R HN 0.152 nan 8.270 nan 0.000 0.436 152 L N 0.199 121.407 121.223 -0.025 0.000 2.046 152 L HA -0.218 4.127 4.340 0.009 0.000 0.208 152 L C 2.564 179.405 176.870 -0.049 0.000 1.077 152 L CA 1.760 56.578 54.840 -0.037 0.000 0.747 152 L CB -0.457 41.552 42.059 -0.084 0.000 0.896 152 L HN 0.329 nan 8.230 nan 0.000 0.432 153 Q N -0.481 119.290 119.800 -0.048 0.000 2.084 153 Q HA -0.273 4.072 4.340 0.009 0.000 0.202 153 Q C 2.152 178.142 176.000 -0.017 0.000 0.978 153 Q CA 1.703 57.485 55.803 -0.036 0.000 0.844 153 Q CB -0.176 28.542 28.738 -0.034 0.000 0.898 153 Q HN 0.480 nan 8.270 nan 0.000 0.426 154 E N 0.297 120.497 120.200 0.001 0.000 2.085 154 E HA -0.187 4.169 4.350 0.009 0.000 0.194 154 E C 2.001 178.615 176.600 0.023 0.000 0.994 154 E CA 1.265 57.681 56.400 0.026 0.000 0.801 154 E CB 0.168 29.900 29.700 0.052 0.000 0.743 154 E HN 0.148 nan 8.360 nan 0.000 0.453 155 V N 1.382 121.287 119.914 -0.015 0.000 2.343 155 V HA -0.244 3.881 4.120 0.009 0.000 0.247 155 V C 2.078 178.103 176.094 -0.115 0.000 1.051 155 V CA 2.104 64.337 62.300 -0.112 0.000 1.036 155 V CB -0.496 31.155 31.823 -0.285 0.000 0.654 155 V HN 0.287 nan 8.190 nan 0.000 0.451 156 E N 0.298 120.448 120.200 -0.083 0.000 2.106 156 E HA -0.157 4.199 4.350 0.009 0.000 0.192 156 E C 2.311 178.900 176.600 -0.018 0.000 0.984 156 E CA 1.237 57.602 56.400 -0.057 0.000 0.806 156 E CB -0.288 29.383 29.700 -0.048 0.000 0.750 156 E HN 0.611 nan 8.360 nan 0.000 0.458 157 A N 1.435 124.253 122.820 -0.003 0.000 1.897 157 A HA -0.221 4.104 4.320 0.009 0.000 0.215 157 A C 2.061 179.668 177.584 0.038 0.000 1.181 157 A CA 1.519 53.566 52.037 0.016 0.000 0.620 157 A CB -0.372 18.639 19.000 0.018 0.000 0.821 157 A HN 0.244 nan 8.150 nan 0.000 0.443 158 E N -0.205 120.030 120.200 0.059 0.000 2.077 158 E HA -0.129 4.226 4.350 0.009 0.000 0.193 158 E C 1.750 178.415 176.600 0.108 0.000 0.989 158 E CA 1.490 57.953 56.400 0.105 0.000 0.800 158 E CB -0.129 29.674 29.700 0.172 0.000 0.746 158 E HN 0.268 nan 8.360 nan 0.000 0.452 159 V N 1.061 121.026 119.914 0.085 0.000 2.427 159 V HA -0.203 3.922 4.120 0.009 0.000 0.248 159 V C 2.401 178.527 176.094 0.052 0.000 1.051 159 V CA 1.568 63.917 62.300 0.081 0.000 1.048 159 V CB -0.605 31.246 31.823 0.046 0.000 0.666 159 V HN 0.468 nan 8.190 nan 0.000 0.456 160 A N 0.638 123.479 122.820 0.034 0.000 1.940 160 A HA -0.210 4.116 4.320 0.009 0.000 0.219 160 A C 2.483 180.086 177.584 0.032 0.000 1.176 160 A CA 2.468 54.521 52.037 0.026 0.000 0.631 160 A CB -0.503 18.507 19.000 0.016 0.000 0.814 160 A HN 0.688 nan 8.150 nan 0.000 0.446 161 S N -1.905 113.820 115.700 0.042 0.000 2.483 161 S HA -0.031 4.445 4.470 0.009 0.000 0.221 161 S C 1.628 176.258 174.600 0.050 0.000 1.030 161 S CA 1.249 59.474 58.200 0.042 0.000 0.925 161 S CB -0.500 62.724 63.200 0.041 0.000 0.795 161 S HN 0.748 nan 8.310 nan 0.000 0.511 162 T N -3.438 111.156 114.554 0.066 0.000 2.985 162 T HA 0.544 4.899 4.350 0.009 0.000 0.254 162 T C 1.643 176.382 174.700 0.065 0.000 1.021 162 T CA 0.812 62.956 62.100 0.074 0.000 0.957 162 T CB 0.167 69.099 68.868 0.107 0.000 1.047 162 T HN 1.145 nan 8.240 nan 0.000 0.511 163 G N 0.378 109.214 108.800 0.062 0.000 2.225 163 G HA2 -0.230 3.735 3.960 0.009 0.000 0.254 163 G HA3 -0.230 3.735 3.960 0.009 0.000 0.254 163 G C 0.250 175.187 174.900 0.062 0.000 0.988 163 G CA 0.627 45.757 45.100 0.051 0.000 0.625 163 G HN 1.013 nan 8.290 nan 0.000 0.527 164 T N -1.300 113.303 114.554 0.082 0.000 2.654 164 T HA 0.744 5.099 4.350 0.009 0.000 0.289 164 T C -1.029 173.780 174.700 0.182 0.000 1.062 164 T CA 0.410 62.561 62.100 0.084 0.000 1.041 164 T CB 1.533 70.364 68.868 -0.061 0.000 1.417 164 T HN 1.495 nan 8.240 nan 0.000 0.510 165 Y N -0.969 119.256 120.300 -0.124 0.000 2.705 165 Y HA 0.828 5.383 4.550 0.008 0.000 0.332 165 Y C -1.531 174.201 175.900 -0.280 0.000 1.221 165 Y CA -1.230 56.841 58.100 -0.049 0.000 1.059 165 Y CB 0.865 39.341 38.460 0.026 0.000 1.298 165 Y HN 0.759 nan 8.280 nan 0.000 0.459 166 H N 0.535 119.622 119.070 0.029 0.000 2.747 166 H HA 0.650 5.211 4.556 0.008 0.000 0.371 166 H C -1.099 174.264 175.328 0.058 0.000 1.161 166 H CA -0.866 55.144 56.048 -0.064 0.000 1.167 166 H CB 2.014 31.784 29.762 0.013 0.000 1.732 166 H HN 0.695 nan 8.280 nan 0.000 0.544 167 L N 2.096 123.389 121.223 0.116 0.000 2.357 167 L HA 0.477 4.822 4.340 0.009 0.000 0.273 167 L C 0.582 177.524 176.870 0.120 0.000 1.080 167 L CA -0.751 54.182 54.840 0.154 0.000 0.803 167 L CB 0.893 43.017 42.059 0.108 0.000 1.174 167 L HN 0.426 nan 8.230 nan 0.000 0.443 168 R N 1.086 121.635 120.500 0.082 0.000 2.679 168 R HA 0.018 4.363 4.340 0.009 0.000 0.269 168 R C 1.086 177.387 176.300 0.001 0.000 1.076 168 R CA -0.371 55.745 56.100 0.028 0.000 1.160 168 R CB 0.760 31.046 30.300 -0.023 0.000 1.054 168 R HN 0.674 nan 8.270 nan 0.000 0.507 169 E N 1.119 121.319 120.200 0.000 0.000 2.049 169 E HA -0.265 4.090 4.350 0.009 0.000 0.198 169 E C 1.555 178.151 176.600 -0.006 0.000 1.007 169 E CA 2.313 58.709 56.400 -0.008 0.000 0.809 169 E CB 0.048 29.746 29.700 -0.003 0.000 0.749 169 E HN 0.684 nan 8.360 nan 0.000 0.450 170 S N -0.057 115.639 115.700 -0.006 0.000 2.423 170 S HA -0.147 4.328 4.470 0.009 0.000 0.231 170 S C 1.665 176.293 174.600 0.047 0.000 1.014 170 S CA 1.186 59.412 58.200 0.044 0.000 0.965 170 S CB -0.237 63.016 63.200 0.088 0.000 0.785 170 S HN 0.346 nan 8.310 nan 0.000 0.495 171 E N 0.822 120.941 120.200 -0.135 0.000 2.107 171 E HA 0.010 4.365 4.350 0.009 0.000 0.191 171 E C 1.997 178.759 176.600 0.270 0.000 0.982 171 E CA 0.879 57.245 56.400 -0.056 0.000 0.809 171 E CB -0.304 29.341 29.700 -0.092 0.000 0.756 171 E HN 0.433 nan 8.360 nan 0.000 0.459 172 L N 1.015 122.288 121.223 0.084 0.000 2.056 172 L HA -0.134 4.211 4.340 0.009 0.000 0.207 172 L C 2.174 179.035 176.870 -0.015 0.000 1.078 172 L CA 1.326 56.144 54.840 -0.036 0.000 0.749 172 L CB -0.255 41.719 42.059 -0.142 0.000 0.901 172 L HN -0.075 nan 8.230 nan 0.000 0.433 173 V N -0.431 119.510 119.914 0.045 0.000 2.343 173 V HA -0.300 3.826 4.120 0.009 0.000 0.247 173 V C 2.327 178.518 176.094 0.162 0.000 1.051 173 V CA 2.105 64.441 62.300 0.061 0.000 1.036 173 V CB -0.930 30.933 31.823 0.066 0.000 0.654 173 V HN 0.578 nan 8.190 nan 0.000 0.451 174 F N 2.078 122.117 119.950 0.148 0.000 2.113 174 F HA 0.009 4.540 4.527 0.007 0.000 0.297 174 F C 2.176 178.113 175.800 0.227 0.000 1.103 174 F CA 1.681 59.815 58.000 0.223 0.000 1.248 174 F CB -0.953 38.251 39.000 0.341 0.000 0.999 174 F HN 0.117 nan 8.300 nan 0.000 0.475 175 G N -0.073 108.778 108.800 0.084 0.000 2.418 175 G HA2 -0.221 3.745 3.960 0.009 0.000 0.217 175 G HA3 -0.221 3.745 3.960 0.009 0.000 0.217 175 G C 1.833 176.576 174.900 -0.261 0.000 1.158 175 G CA 0.902 45.924 45.100 -0.130 0.000 0.771 175 G HN 0.647 nan 8.290 nan 0.000 0.545 176 A N 0.893 123.603 122.820 -0.183 0.000 1.877 176 A HA -0.028 4.297 4.320 0.009 0.000 0.216 176 A C 2.316 179.875 177.584 -0.042 0.000 1.186 176 A CA 1.997 53.933 52.037 -0.168 0.000 0.620 176 A CB -0.368 18.572 19.000 -0.100 0.000 0.822 176 A HN 0.380 nan 8.150 nan 0.000 0.443 177 K N -0.843 119.579 120.400 0.038 0.000 2.057 177 K HA -0.133 4.192 4.320 0.009 0.000 0.207 177 K C 2.286 178.931 176.600 0.076 0.000 1.049 177 K CA 1.279 57.697 56.287 0.219 0.000 0.931 177 K CB -0.157 32.529 32.500 0.311 0.000 0.714 177 K HN 0.384 nan 8.250 nan 0.000 0.440 178 Q N 0.273 119.933 119.800 -0.233 0.000 2.124 178 Q HA -0.095 4.250 4.340 0.009 0.000 0.202 178 Q C 2.178 178.011 176.000 -0.279 0.000 0.977 178 Q CA 1.492 57.061 55.803 -0.391 0.000 0.850 178 Q CB -0.289 28.088 28.738 -0.602 0.000 0.901 178 Q HN 0.327 nan 8.270 nan 0.000 0.429 179 A N 0.227 122.871 122.820 -0.293 0.000 1.908 179 A HA -0.195 4.131 4.320 0.009 0.000 0.218 179 A C 1.828 179.377 177.584 -0.057 0.000 1.181 179 A CA 1.471 53.260 52.037 -0.414 0.000 0.627 179 A CB -0.986 17.381 19.000 -1.056 0.000 0.818 179 A HN 0.537 nan 8.150 nan 0.000 0.445 180 W N 0.881 122.155 121.300 -0.043 0.000 2.379 180 W HA -0.121 4.543 4.660 0.006 0.000 0.307 180 W C 2.372 178.853 176.519 -0.063 0.000 1.200 180 W CA 1.533 58.923 57.345 0.075 0.000 1.297 180 W CB -0.774 28.737 29.460 0.085 0.000 1.140 180 W HN 0.373 nan 8.180 nan 0.000 0.507 181 R N 0.341 120.771 120.500 -0.116 0.000 2.117 181 R HA -0.209 4.136 4.340 0.009 0.000 0.243 181 R C 1.630 177.769 176.300 -0.269 0.000 1.143 181 R CA 1.944 57.755 56.100 -0.481 0.000 0.968 181 R CB -0.572 29.149 30.300 -0.965 0.000 0.863 181 R HN 0.104 nan 8.270 nan 0.000 0.444 182 N N 0.298 118.891 118.700 -0.179 0.000 2.463 182 N HA 0.008 4.753 4.740 0.009 0.000 0.181 182 N C -0.281 175.181 175.510 -0.080 0.000 1.078 182 N CA 0.718 53.689 53.050 -0.131 0.000 0.902 182 N CB 0.249 38.657 38.487 -0.131 0.000 0.970 182 N HN 0.183 nan 8.380 nan 0.000 0.451 183 A N 2.103 124.921 122.820 -0.003 0.000 2.500 183 A HA 0.190 4.515 4.320 0.009 0.000 0.285 183 A C -1.225 176.337 177.584 -0.038 0.000 1.183 183 A CA -0.874 51.164 52.037 0.002 0.000 0.851 183 A CB 0.187 19.244 19.000 0.096 0.000 1.091 183 A HN 0.030 nan 8.150 nan 0.000 0.521 184 P HA -0.131 nan 4.420 nan 0.000 0.219 184 P C 1.065 178.307 177.300 -0.096 0.000 1.146 184 P CA 1.175 64.211 63.100 -0.107 0.000 0.808 184 P CB 0.152 31.757 31.700 -0.159 0.000 0.779 185 R N -2.206 118.200 120.500 -0.157 0.000 2.317 185 R HA 0.157 4.502 4.340 0.009 0.000 0.208 185 R C 0.189 176.487 176.300 -0.004 0.000 0.914 185 R CA -0.151 55.870 56.100 -0.130 0.000 1.060 185 R CB -0.401 29.595 30.300 -0.506 0.000 1.015 185 R HN 0.175 nan 8.270 nan 0.000 0.498 186 C N 0.622 119.911 119.300 -0.018 0.000 2.265 186 C HA 0.225 4.690 4.460 0.009 0.000 0.332 186 C C 1.848 176.790 174.990 -0.080 0.000 1.248 186 C CA -0.656 58.379 59.018 0.027 0.000 1.727 186 C CB 0.554 28.385 27.740 0.151 0.000 2.348 186 C HN 0.288 nan 8.230 nan 0.000 0.519 187 V N 5.959 125.783 119.914 -0.150 0.000 3.461 187 V HA 0.214 4.339 4.120 0.009 0.000 0.267 187 V C 1.735 177.833 176.094 0.006 0.000 1.186 187 V CA 2.029 64.126 62.300 -0.338 0.000 1.154 187 V CB -0.089 31.566 31.823 -0.280 0.000 0.802 187 V HN 1.065 nan 8.190 nan 0.000 0.474 188 G N -0.645 108.202 108.800 0.078 0.000 3.448 188 G HA2 0.073 4.038 3.960 0.009 0.000 0.261 188 G HA3 0.073 4.038 3.960 0.009 0.000 0.261 188 G C 1.179 176.126 174.900 0.079 0.000 1.173 188 G CA -0.363 44.808 45.100 0.118 0.000 0.835 188 G HN 0.422 nan 8.290 nan 0.000 0.534 189 R N -0.170 120.299 120.500 -0.052 0.000 2.328 189 R HA 0.126 4.471 4.340 0.009 0.000 0.207 189 R C 1.956 177.868 176.300 -0.647 0.000 1.056 189 R CA 0.140 55.943 56.100 -0.496 0.000 1.016 189 R CB -0.128 29.851 30.300 -0.536 0.000 0.872 189 R HN 0.449 nan 8.270 nan 0.000 0.471 190 I N 0.876 121.231 120.570 -0.358 0.000 2.756 190 I HA -0.234 3.941 4.170 0.009 0.000 0.262 190 I C 1.276 177.308 176.117 -0.141 0.000 1.225 190 I CA 1.203 62.442 61.300 -0.101 0.000 1.472 190 I CB 0.175 38.216 38.000 0.067 0.000 1.094 190 I HN 0.202 nan 8.210 nan 0.000 0.454 191 Q N 0.421 120.074 119.800 -0.246 0.000 2.360 191 Q HA -0.097 4.248 4.340 0.009 0.000 0.202 191 Q C 1.658 177.235 176.000 -0.706 0.000 0.915 191 Q CA 0.401 56.044 55.803 -0.267 0.000 0.943 191 Q CB -0.204 28.543 28.738 0.015 0.000 1.064 191 Q HN 0.785 nan 8.270 nan 0.000 0.511 192 W N 0.326 120.885 121.300 -1.236 0.000 2.313 192 W HA -0.174 4.493 4.660 0.011 0.000 0.293 192 W C 1.170 177.383 176.519 -0.510 0.000 1.216 192 W CA 1.257 57.738 57.345 -1.440 0.000 1.223 192 W CB -1.291 27.549 29.460 -1.034 0.000 1.138 192 W HN 0.081 nan 8.180 nan 0.000 0.535 193 G N 1.110 109.201 108.800 -1.182 0.000 2.534 193 G HA2 -0.183 3.782 3.960 0.009 0.000 0.217 193 G HA3 -0.183 3.782 3.960 0.009 0.000 0.217 193 G C 0.840 175.520 174.900 -0.366 0.000 1.128 193 G CA 0.128 44.628 45.100 -1.000 0.000 0.784 193 G HN 0.257 nan 8.290 nan 0.000 0.542 194 K N 0.238 120.521 120.400 -0.194 0.000 2.423 194 K HA 0.504 4.829 4.320 0.009 0.000 0.234 194 K C -1.657 175.054 176.600 0.185 0.000 1.051 194 K CA -0.679 55.610 56.287 0.002 0.000 1.021 194 K CB 0.362 32.885 32.500 0.038 0.000 1.474 194 K HN 0.072 nan 8.250 nan 0.000 0.474 195 L N 3.173 124.491 121.223 0.157 0.000 2.439 195 L HA 0.327 4.673 4.340 0.009 0.000 0.270 195 L C -1.232 175.636 176.870 -0.004 0.000 0.972 195 L CA -0.414 54.533 54.840 0.177 0.000 0.836 195 L CB 1.885 44.129 42.059 0.309 0.000 1.255 195 L HN 0.437 nan 8.230 nan 0.000 0.404 196 Q N 3.537 123.276 119.800 -0.101 0.000 2.307 196 Q HA 0.438 4.783 4.340 0.009 0.000 0.259 196 Q C -1.516 174.170 176.000 -0.524 0.000 0.998 196 Q CA -0.005 55.569 55.803 -0.381 0.000 0.923 196 Q CB 1.017 29.414 28.738 -0.569 0.000 1.196 196 Q HN 0.522 nan 8.270 nan 0.000 0.416 197 V N 6.606 126.241 119.914 -0.466 0.000 2.333 197 V HA 0.332 4.457 4.120 0.009 0.000 0.274 197 V C -0.582 175.235 176.094 -0.462 0.000 1.028 197 V CA -0.481 61.601 62.300 -0.364 0.000 0.851 197 V CB -0.025 31.682 31.823 -0.193 0.000 1.000 197 V HN 0.630 nan 8.190 nan 0.000 0.456 198 F N 2.889 122.697 119.950 -0.236 0.000 2.404 198 F HA 0.343 4.872 4.527 0.005 0.000 0.358 198 F C 0.649 176.274 175.800 -0.291 0.000 1.120 198 F CA -0.803 57.049 58.000 -0.248 0.000 1.144 198 F CB 0.834 39.681 39.000 -0.254 0.000 1.133 198 F HN 0.399 nan 8.300 nan 0.000 0.495 199 D N 3.303 123.663 120.400 -0.067 0.000 2.339 199 D HA 0.390 5.035 4.640 0.009 0.000 0.241 199 D C -0.006 176.136 176.300 -0.264 0.000 1.183 199 D CA 0.132 54.031 54.000 -0.168 0.000 0.859 199 D CB 1.256 41.996 40.800 -0.099 0.000 1.067 199 D HN 0.630 nan 8.370 nan 0.000 0.484 200 A N 4.591 127.111 122.820 -0.500 0.000 2.676 200 A HA 0.157 4.482 4.320 0.009 0.000 0.297 200 A C 1.357 178.700 177.584 -0.402 0.000 1.132 200 A CA -0.408 51.143 52.037 -0.810 0.000 0.972 200 A CB 0.067 18.068 19.000 -1.665 0.000 1.197 200 A HN 0.528 nan 8.150 nan 0.000 0.524 201 R N 0.674 121.048 120.500 -0.210 0.000 2.346 201 R HA -0.050 4.295 4.340 0.009 0.000 0.199 201 R C 0.521 176.805 176.300 -0.025 0.000 1.015 201 R CA 1.077 57.125 56.100 -0.086 0.000 1.058 201 R CB 0.085 30.384 30.300 -0.002 0.000 0.921 201 R HN 0.678 nan 8.270 nan 0.000 0.475 202 D N -1.186 119.214 120.400 0.001 0.000 2.417 202 D HA -0.055 4.591 4.640 0.009 0.000 0.207 202 D C 0.444 176.826 176.300 0.138 0.000 1.075 202 D CA -0.339 53.708 54.000 0.078 0.000 0.851 202 D CB -0.561 40.303 40.800 0.106 0.000 0.976 202 D HN -0.023 nan 8.370 nan 0.000 0.505 203 C N 2.226 121.614 119.300 0.147 0.000 2.538 203 C HA 0.290 4.755 4.460 0.009 0.000 0.408 203 C C 1.601 176.748 174.990 0.262 0.000 1.421 203 C CA 0.812 59.989 59.018 0.264 0.000 1.642 203 C CB -0.751 27.178 27.740 0.316 0.000 2.553 203 C HN 0.458 nan 8.230 nan 0.000 0.604 204 S N 2.588 118.470 115.700 0.304 0.000 2.819 204 S HA 0.349 4.824 4.470 0.009 0.000 0.249 204 S C -0.129 174.623 174.600 0.252 0.000 1.030 204 S CA 0.198 58.595 58.200 0.327 0.000 1.052 204 S CB -0.230 63.096 63.200 0.210 0.000 1.017 204 S HN 1.347 nan 8.310 nan 0.000 0.576 205 S N -0.429 115.420 115.700 0.249 0.000 2.565 205 S HA 0.791 5.266 4.470 0.009 0.000 0.269 205 S C 0.804 175.474 174.600 0.117 0.000 1.153 205 S CA -0.320 57.965 58.200 0.143 0.000 0.835 205 S CB 0.961 64.230 63.200 0.115 0.000 1.122 205 S HN 0.530 nan 8.310 nan 0.000 0.462 206 A N 1.103 123.965 122.820 0.071 0.000 1.908 206 A HA -0.124 4.201 4.320 0.009 0.000 0.218 206 A C 2.125 179.678 177.584 -0.052 0.000 1.181 206 A CA 2.354 54.414 52.037 0.038 0.000 0.627 206 A CB -1.245 17.843 19.000 0.146 0.000 0.818 206 A HN 0.971 nan 8.150 nan 0.000 0.445 207 Q N 0.165 120.031 119.800 0.111 0.000 2.084 207 Q HA -0.204 4.141 4.340 0.009 0.000 0.202 207 Q C 1.891 177.898 176.000 0.012 0.000 0.978 207 Q CA 2.367 58.223 55.803 0.089 0.000 0.844 207 Q CB -0.394 28.475 28.738 0.219 0.000 0.898 207 Q HN 0.756 nan 8.270 nan 0.000 0.426 208 E N -0.912 119.327 120.200 0.065 0.000 2.150 208 E HA -0.145 4.210 4.350 0.009 0.000 0.193 208 E C 1.840 178.542 176.600 0.170 0.000 0.985 208 E CA 0.961 57.416 56.400 0.092 0.000 0.814 208 E CB -0.068 29.727 29.700 0.157 0.000 0.752 208 E HN 0.482 nan 8.360 nan 0.000 0.466 209 M N -0.272 119.385 119.600 0.095 0.000 2.159 209 M HA -0.113 4.372 4.480 0.009 0.000 0.263 209 M C 2.050 178.402 176.300 0.087 0.000 1.063 209 M CA 1.298 56.622 55.300 0.041 0.000 1.110 209 M CB -0.256 32.134 32.600 -0.350 0.000 1.374 209 M HN 0.208 nan 8.290 nan 0.000 0.411 210 F N 0.782 120.537 119.950 -0.324 0.000 2.134 210 F HA -0.216 4.318 4.527 0.011 0.000 0.299 210 F C 2.237 177.939 175.800 -0.164 0.000 1.097 210 F CA 1.509 59.270 58.000 -0.399 0.000 1.264 210 F CB -0.073 38.390 39.000 -0.896 0.000 1.001 210 F HN 0.026 nan 8.300 nan 0.000 0.479 211 T N -0.378 114.051 114.554 -0.207 0.000 2.708 211 T HA -0.242 4.113 4.350 0.009 0.000 0.266 211 T C 1.582 176.130 174.700 -0.254 0.000 1.037 211 T CA 1.893 63.817 62.100 -0.295 0.000 1.146 211 T CB -0.789 67.939 68.868 -0.232 0.000 0.865 211 T HN 0.362 nan 8.240 nan 0.000 0.435 212 Y N 0.864 121.114 120.300 -0.084 0.000 2.165 212 Y HA -0.097 4.457 4.550 0.007 0.000 0.286 212 Y C 2.321 178.154 175.900 -0.111 0.000 1.155 212 Y CA 0.874 58.929 58.100 -0.075 0.000 1.164 212 Y CB -0.324 38.192 38.460 0.094 0.000 0.978 212 Y HN 0.167 nan 8.280 nan 0.000 0.513 213 I N -1.529 119.106 120.570 0.109 0.000 2.252 213 I HA -0.351 3.824 4.170 0.009 0.000 0.245 213 I C 2.312 178.349 176.117 -0.134 0.000 1.102 213 I CA 0.871 62.171 61.300 -0.001 0.000 1.385 213 I CB -0.480 37.528 38.000 0.014 0.000 1.064 213 I HN 0.329 nan 8.210 nan 0.000 0.414 214 C N 0.743 119.848 119.300 -0.326 0.000 2.429 214 C HA -0.133 4.332 4.460 0.009 0.000 0.277 214 C C 2.619 177.499 174.990 -0.183 0.000 1.262 214 C CA 0.823 59.641 59.018 -0.335 0.000 1.733 214 C CB -1.384 26.027 27.740 -0.549 0.000 2.010 214 C HN 0.545 nan 8.230 nan 0.000 0.483 215 N N -0.130 118.454 118.700 -0.194 0.000 2.166 215 N HA -0.137 4.608 4.740 0.009 0.000 0.186 215 N C 1.440 176.850 175.510 -0.166 0.000 1.019 215 N CA 1.362 54.299 53.050 -0.189 0.000 0.856 215 N CB -0.762 37.561 38.487 -0.273 0.000 0.993 215 N HN 0.761 nan 8.380 nan 0.000 0.426 216 H N 0.577 119.484 119.070 -0.272 0.000 2.321 216 H HA 0.064 4.626 4.556 0.011 0.000 0.300 216 H C 2.127 177.458 175.328 0.005 0.000 1.087 216 H CA 1.456 57.392 56.048 -0.186 0.000 1.319 216 H CB -0.027 29.663 29.762 -0.119 0.000 1.379 216 H HN 0.080 nan 8.280 nan 0.000 0.501 217 I N 0.713 121.411 120.570 0.213 0.000 2.208 217 I HA -0.278 3.897 4.170 0.009 0.000 0.245 217 I C 2.363 178.551 176.117 0.118 0.000 1.097 217 I CA 1.467 62.857 61.300 0.151 0.000 1.363 217 I CB -0.267 37.746 38.000 0.021 0.000 1.051 217 I HN 0.334 nan 8.210 nan 0.000 0.413 218 K N -0.056 120.382 120.400 0.064 0.000 2.026 218 K HA -0.233 4.093 4.320 0.009 0.000 0.208 218 K C 2.247 178.900 176.600 0.088 0.000 1.048 218 K CA 1.726 58.042 56.287 0.049 0.000 0.929 218 K CB -0.419 32.087 32.500 0.010 0.000 0.713 218 K HN 0.244 nan 8.250 nan 0.000 0.439 219 Y N 1.431 121.740 120.300 0.015 0.000 2.145 219 Y HA -0.217 4.335 4.550 0.003 0.000 0.286 219 Y C 2.213 178.170 175.900 0.096 0.000 1.145 219 Y CA 1.449 59.592 58.100 0.071 0.000 1.148 219 Y CB -0.339 38.210 38.460 0.148 0.000 0.981 219 Y HN 0.043 nan 8.280 nan 0.000 0.507 220 A N -0.867 122.143 122.820 0.317 0.000 1.930 220 A HA -0.144 4.181 4.320 0.009 0.000 0.217 220 A C 2.196 179.865 177.584 0.142 0.000 1.175 220 A CA 2.166 54.355 52.037 0.254 0.000 0.627 220 A CB -1.223 17.969 19.000 0.321 0.000 0.815 220 A HN 0.507 nan 8.150 nan 0.000 0.443 221 T N -0.281 114.343 114.554 0.116 0.000 2.812 221 T HA -0.080 4.275 4.350 0.009 0.000 0.264 221 T C 1.073 175.789 174.700 0.026 0.000 1.042 221 T CA 1.083 63.234 62.100 0.086 0.000 1.140 221 T CB -0.420 68.493 68.868 0.074 0.000 0.870 221 T HN 0.640 nan 8.240 nan 0.000 0.445 222 N N 1.313 119.999 118.700 -0.024 0.000 2.707 222 N HA -0.264 4.482 4.740 0.009 0.000 0.253 222 N C -0.174 175.312 175.510 -0.040 0.000 0.998 222 N CA 0.472 53.480 53.050 -0.071 0.000 0.751 222 N CB -1.262 37.141 38.487 -0.140 0.000 0.920 222 N HN 0.450 nan 8.380 nan 0.000 0.539 223 R N -2.241 118.248 120.500 -0.020 0.000 3.741 223 R HA -0.238 4.107 4.340 0.009 0.000 0.292 223 R C 1.296 177.583 176.300 -0.021 0.000 1.176 223 R CA 1.174 57.263 56.100 -0.019 0.000 0.794 223 R CB -1.924 28.360 30.300 -0.026 0.000 1.213 223 R HN 0.968 nan 8.270 nan 0.000 0.494 224 G N -0.328 108.469 108.800 -0.005 0.000 2.307 224 G HA2 -0.293 3.672 3.960 0.009 0.000 0.210 224 G HA3 -0.293 3.672 3.960 0.009 0.000 0.210 224 G C -0.037 174.857 174.900 -0.009 0.000 1.005 224 G CA -0.001 45.096 45.100 -0.005 0.000 0.634 224 G HN 0.338 nan 8.290 nan 0.000 0.496 225 N N 1.629 120.311 118.700 -0.030 0.000 3.188 225 N HA 0.472 5.217 4.740 0.009 0.000 0.279 225 N C 0.413 175.904 175.510 -0.032 0.000 1.213 225 N CA -0.442 52.574 53.050 -0.057 0.000 1.138 225 N CB -0.335 38.110 38.487 -0.069 0.000 1.417 225 N HN 0.233 nan 8.380 nan 0.000 0.526 226 L N 1.729 122.966 121.223 0.023 0.000 2.543 226 L HA 0.051 4.396 4.340 0.009 0.000 0.285 226 L C 0.841 177.842 176.870 0.218 0.000 1.236 226 L CA 1.057 55.986 54.840 0.147 0.000 0.871 226 L CB 0.155 42.392 42.059 0.297 0.000 1.121 226 L HN 0.346 nan 8.230 nan 0.000 0.501 227 R N 1.382 122.027 120.500 0.242 0.000 2.575 227 R HA 0.421 4.766 4.340 0.009 0.000 0.293 227 R C -0.634 175.855 176.300 0.314 0.000 0.983 227 R CA -0.693 55.578 56.100 0.284 0.000 0.887 227 R CB 1.714 32.077 30.300 0.105 0.000 1.184 227 R HN 0.566 nan 8.270 nan 0.000 0.445 228 S N 1.496 117.372 115.700 0.293 0.000 2.549 228 S HA 0.441 4.916 4.470 0.009 0.000 0.286 228 S C -0.245 174.408 174.600 0.088 0.000 1.314 228 S CA -0.075 58.186 58.200 0.101 0.000 1.062 228 S CB 1.087 64.296 63.200 0.015 0.000 0.865 228 S HN 0.694 nan 8.310 nan 0.000 0.498 229 A N 2.773 125.606 122.820 0.021 0.000 2.610 229 A HA 0.836 5.161 4.320 0.009 0.000 0.291 229 A C -1.336 176.276 177.584 0.047 0.000 1.086 229 A CA -0.662 51.333 52.037 -0.070 0.000 0.677 229 A CB 1.192 20.081 19.000 -0.185 0.000 1.278 229 A HN 0.791 nan 8.150 nan 0.000 0.414 230 I N 0.285 120.879 120.570 0.039 0.000 2.692 230 I HA 0.602 4.777 4.170 0.009 0.000 0.293 230 I C -1.249 174.963 176.117 0.158 0.000 1.200 230 I CA -0.088 61.341 61.300 0.215 0.000 1.036 230 I CB 2.390 40.471 38.000 0.135 0.000 1.258 230 I HN 0.607 nan 8.210 nan 0.000 0.421 231 T N 6.334 120.992 114.554 0.173 0.000 2.786 231 T HA 0.463 4.818 4.350 0.009 0.000 0.283 231 T C -0.732 173.744 174.700 -0.373 0.000 0.992 231 T CA -0.359 61.681 62.100 -0.099 0.000 0.954 231 T CB 1.525 70.296 68.868 -0.161 0.000 0.934 231 T HN 0.264 nan 8.240 nan 0.000 0.440 232 V N 5.138 124.777 119.914 -0.458 0.000 2.347 232 V HA 0.480 4.605 4.120 0.009 0.000 0.280 232 V C -0.411 175.366 176.094 -0.528 0.000 1.021 232 V CA -0.798 61.234 62.300 -0.446 0.000 0.847 232 V CB 0.045 31.581 31.823 -0.479 0.000 0.990 232 V HN 0.704 nan 8.190 nan 0.000 0.444 233 F N 5.122 124.967 119.950 -0.174 0.000 2.375 233 F HA 0.527 5.060 4.527 0.010 0.000 0.317 233 F C -1.822 173.844 175.800 -0.224 0.000 1.124 233 F CA -2.520 55.293 58.000 -0.311 0.000 1.050 233 F CB 0.225 39.022 39.000 -0.339 0.000 1.314 233 F HN 0.293 nan 8.300 nan 0.000 0.511 234 P HA -0.020 nan 4.420 nan 0.000 0.265 234 P C -0.980 176.349 177.300 0.049 0.000 1.187 234 P CA -0.062 62.958 63.100 -0.134 0.000 0.766 234 P CB 0.191 31.708 31.700 -0.306 0.000 0.820 235 Q N 3.133 122.927 119.800 -0.010 0.000 2.492 235 Q HA 0.193 4.538 4.340 0.009 0.000 0.238 235 Q C -0.255 175.663 176.000 -0.136 0.000 1.045 235 Q CA -0.463 55.128 55.803 -0.353 0.000 0.934 235 Q CB 0.512 28.761 28.738 -0.814 0.000 1.276 235 Q HN 0.323 nan 8.270 nan 0.000 0.521 236 R N -0.019 120.372 120.500 -0.182 0.000 2.590 236 R HA 0.392 4.737 4.340 0.009 0.000 0.274 236 R C -0.591 175.658 176.300 -0.084 0.000 1.061 236 R CA 0.337 56.395 56.100 -0.070 0.000 1.081 236 R CB 0.563 30.812 30.300 -0.085 0.000 0.984 236 R HN 0.695 nan 8.270 nan 0.000 0.448 237 A N 4.067 126.876 122.820 -0.017 0.000 2.384 237 A HA 0.550 4.875 4.320 0.009 0.000 0.312 237 A C -2.415 175.165 177.584 -0.006 0.000 1.113 237 A CA -2.104 49.926 52.037 -0.011 0.000 0.779 237 A CB 1.029 20.053 19.000 0.040 0.000 1.307 237 A HN 0.436 nan 8.150 nan 0.000 0.436 238 P HA 0.153 nan 4.420 nan 0.000 0.256 238 P C 0.972 178.276 177.300 0.007 0.000 1.173 238 P CA 2.149 65.250 63.100 0.002 0.000 0.768 238 P CB 0.154 31.861 31.700 0.011 0.000 0.758 239 G N 2.562 111.364 108.800 0.002 0.000 2.361 239 G HA2 -0.314 3.651 3.960 0.009 0.000 0.294 239 G HA3 -0.314 3.651 3.960 0.009 0.000 0.294 239 G C 0.323 175.227 174.900 0.006 0.000 1.004 239 G CA 0.135 45.237 45.100 0.004 0.000 0.870 239 G HN 0.688 nan 8.290 nan 0.000 0.510 240 R N -0.305 120.199 120.500 0.007 0.000 2.873 240 R HA 0.609 4.954 4.340 0.009 0.000 0.264 240 R C 0.881 177.181 176.300 -0.001 0.000 1.026 240 R CA -0.140 55.964 56.100 0.007 0.000 1.002 240 R CB 0.915 31.227 30.300 0.020 0.000 1.174 240 R HN 0.291 nan 8.270 nan 0.000 0.488 241 G N 1.303 110.091 108.800 -0.019 0.000 2.491 241 G HA2 0.071 4.036 3.960 0.009 0.000 0.242 241 G HA3 0.071 4.036 3.960 0.009 0.000 0.242 241 G C -0.650 174.227 174.900 -0.039 0.000 1.266 241 G CA -0.340 44.741 45.100 -0.032 0.000 0.844 241 G HN 0.574 nan 8.290 nan 0.000 0.571 242 D N -0.143 120.252 120.400 -0.009 0.000 2.312 242 D HA 0.339 4.984 4.640 0.009 0.000 0.248 242 D C -0.190 176.121 176.300 0.018 0.000 1.086 242 D CA 0.040 54.070 54.000 0.049 0.000 0.948 242 D CB 0.995 41.835 40.800 0.067 0.000 1.162 242 D HN 0.126 nan 8.370 nan 0.000 0.446 243 F N 1.240 121.215 119.950 0.042 0.000 2.396 243 F HA 0.365 4.898 4.527 0.010 0.000 0.343 243 F C 0.965 176.794 175.800 0.048 0.000 1.104 243 F CA 0.013 58.023 58.000 0.016 0.000 1.161 243 F CB 0.726 39.725 39.000 -0.002 0.000 1.146 243 F HN -0.189 nan 8.300 nan 0.000 0.522 244 R N 3.650 124.271 120.500 0.202 0.000 2.626 244 R HA 0.497 4.842 4.340 0.009 0.000 0.274 244 R C -1.411 175.042 176.300 0.254 0.000 1.031 244 R CA -0.805 55.432 56.100 0.229 0.000 0.898 244 R CB 2.191 32.643 30.300 0.254 0.000 1.222 244 R HN 0.626 nan 8.270 nan 0.000 0.455 245 I N 2.083 122.798 120.570 0.242 0.000 2.355 245 I HA 0.175 4.351 4.170 0.009 0.000 0.288 245 I C 0.493 176.826 176.117 0.360 0.000 0.999 245 I CA -0.457 60.979 61.300 0.228 0.000 1.163 245 I CB 1.250 39.329 38.000 0.132 0.000 1.316 245 I HN 0.529 nan 8.210 nan 0.000 0.454 246 W N 3.505 124.851 121.300 0.076 0.000 2.388 246 W HA -0.089 4.576 4.660 0.008 0.000 0.294 246 W C 0.968 177.596 176.519 0.181 0.000 1.212 246 W CA 0.159 57.615 57.345 0.185 0.000 1.271 246 W CB -0.849 28.699 29.460 0.147 0.000 1.126 246 W HN 0.405 nan 8.180 nan 0.000 0.535 247 N N 0.148 119.015 118.700 0.279 0.000 2.492 247 N HA 0.011 4.756 4.740 0.009 0.000 0.260 247 N C 1.313 176.888 175.510 0.108 0.000 1.215 247 N CA 0.861 53.994 53.050 0.139 0.000 0.923 247 N CB 0.709 39.211 38.487 0.025 0.000 1.092 247 N HN -0.079 nan 8.380 nan 0.000 0.448 248 S N 0.829 116.585 115.700 0.093 0.000 2.428 248 S HA -0.046 4.429 4.470 0.009 0.000 0.230 248 S C 0.363 174.961 174.600 -0.003 0.000 1.014 248 S CA 0.695 58.937 58.200 0.069 0.000 0.957 248 S CB 0.075 63.337 63.200 0.105 0.000 0.784 248 S HN 0.652 nan 8.310 nan 0.000 0.499 249 Q N -0.805 118.976 119.800 -0.032 0.000 2.456 249 Q HA 0.487 4.833 4.340 0.009 0.000 0.284 249 Q C 0.138 176.046 176.000 -0.153 0.000 1.061 249 Q CA -0.570 55.172 55.803 -0.103 0.000 0.799 249 Q CB 1.937 30.643 28.738 -0.054 0.000 1.445 249 Q HN 0.138 nan 8.270 nan 0.000 0.411 250 L N 0.161 121.262 121.223 -0.203 0.000 2.201 250 L HA 0.044 4.389 4.340 0.009 0.000 0.212 250 L C 0.355 177.057 176.870 -0.281 0.000 1.105 250 L CA 0.775 55.494 54.840 -0.201 0.000 0.775 250 L CB 0.194 42.130 42.059 -0.204 0.000 0.913 250 L HN 0.244 nan 8.230 nan 0.000 0.440 251 V N 0.947 120.588 119.914 -0.456 0.000 2.444 251 V HA 0.487 4.612 4.120 0.009 0.000 0.294 251 V C -0.296 175.304 176.094 -0.823 0.000 1.022 251 V CA -0.679 61.168 62.300 -0.756 0.000 0.850 251 V CB 1.721 32.802 31.823 -1.237 0.000 0.992 251 V HN 0.160 nan 8.190 nan 0.000 0.426 252 R N 2.995 123.145 120.500 -0.583 0.000 2.584 252 R HA 0.461 4.806 4.340 0.009 0.000 0.276 252 R C -1.845 174.271 176.300 -0.307 0.000 1.046 252 R CA -0.753 55.137 56.100 -0.350 0.000 0.906 252 R CB 2.370 32.576 30.300 -0.157 0.000 1.215 252 R HN 0.584 nan 8.270 nan 0.000 0.449 253 Y N 0.656 120.961 120.300 0.008 0.000 2.313 253 Y HA 0.399 4.954 4.550 0.009 0.000 0.332 253 Y C 1.043 176.907 175.900 -0.060 0.000 1.071 253 Y CA -0.504 57.606 58.100 0.018 0.000 1.169 253 Y CB 1.166 39.702 38.460 0.126 0.000 1.192 253 Y HN 0.684 nan 8.280 nan 0.000 0.487 254 A N 2.086 124.927 122.820 0.036 0.000 2.507 254 A HA 0.472 4.797 4.320 0.009 0.000 0.235 254 A C 0.703 178.054 177.584 -0.388 0.000 1.070 254 A CA 0.409 52.298 52.037 -0.247 0.000 0.768 254 A CB -0.275 18.493 19.000 -0.386 0.000 1.011 254 A HN 0.964 nan 8.150 nan 0.000 0.502 255 G N 0.747 109.295 108.800 -0.420 0.000 2.728 255 G HA2 0.539 4.504 3.960 0.009 0.000 0.296 255 G HA3 0.539 4.504 3.960 0.009 0.000 0.296 255 G C -0.993 173.738 174.900 -0.282 0.000 1.401 255 G CA -0.287 44.630 45.100 -0.303 0.000 1.007 255 G HN 0.560 nan 8.290 nan 0.000 0.527 256 Y N 1.508 121.820 120.300 0.021 0.000 2.335 256 Y HA 0.440 4.995 4.550 0.009 0.000 0.339 256 Y C 0.930 176.832 175.900 0.002 0.000 0.987 256 Y CA -1.067 57.048 58.100 0.025 0.000 1.140 256 Y CB 1.458 39.931 38.460 0.022 0.000 1.173 256 Y HN 0.505 nan 8.280 nan 0.000 0.486 257 R N 3.057 123.648 120.500 0.151 0.000 2.449 257 R HA 0.090 4.435 4.340 0.009 0.000 0.296 257 R C -0.418 175.928 176.300 0.076 0.000 1.047 257 R CA -0.074 56.076 56.100 0.083 0.000 1.018 257 R CB 0.359 30.696 30.300 0.062 0.000 0.962 257 R HN 0.570 nan 8.270 nan 0.000 0.428 258 Q N 2.490 122.320 119.800 0.050 0.000 2.212 258 Q HA 0.094 4.439 4.340 0.009 0.000 0.238 258 Q C 0.644 176.655 176.000 0.018 0.000 0.955 258 Q CA -0.598 55.223 55.803 0.030 0.000 0.906 258 Q CB 1.095 29.847 28.738 0.023 0.000 1.215 258 Q HN 0.640 nan 8.270 nan 0.000 0.478 259 Q N 0.982 120.786 119.800 0.007 0.000 2.096 259 Q HA -0.177 4.168 4.340 0.009 0.000 0.204 259 Q C 1.121 177.124 176.000 0.005 0.000 0.982 259 Q CA 2.048 57.853 55.803 0.003 0.000 0.850 259 Q CB -0.322 28.414 28.738 -0.004 0.000 0.901 259 Q HN 0.737 nan 8.270 nan 0.000 0.422 260 D N -1.492 118.911 120.400 0.005 0.000 2.378 260 D HA 0.056 4.701 4.640 0.009 0.000 0.227 260 D C 1.095 177.400 176.300 0.008 0.000 1.012 260 D CA 0.991 54.995 54.000 0.005 0.000 0.905 260 D CB -0.122 40.680 40.800 0.004 0.000 0.895 260 D HN 0.340 nan 8.370 nan 0.000 0.532 261 G N -0.405 108.402 108.800 0.012 0.000 2.213 261 G HA2 -0.296 3.669 3.960 0.009 0.000 0.226 261 G HA3 -0.296 3.669 3.960 0.009 0.000 0.226 261 G C 0.624 175.533 174.900 0.015 0.000 0.992 261 G CA 0.302 45.411 45.100 0.014 0.000 0.632 261 G HN 0.796 nan 8.290 nan 0.000 0.511 262 S N -0.842 114.866 115.700 0.014 0.000 2.625 262 S HA 0.749 5.224 4.470 0.009 0.000 0.262 262 S C 0.103 174.711 174.600 0.013 0.000 1.223 262 S CA 0.133 58.339 58.200 0.011 0.000 0.993 262 S CB 2.039 65.244 63.200 0.008 0.000 1.051 262 S HN 1.169 nan 8.310 nan 0.000 0.562 263 V N 0.712 120.625 119.914 -0.001 0.000 2.709 263 V HA 0.556 4.681 4.120 0.009 0.000 0.308 263 V C -0.221 175.857 176.094 -0.027 0.000 1.062 263 V CA -0.803 61.492 62.300 -0.008 0.000 0.901 263 V CB 1.698 33.497 31.823 -0.040 0.000 1.003 263 V HN 0.926 nan 8.190 nan 0.000 0.425 264 R N 2.554 123.069 120.500 0.024 0.000 2.295 264 R HA 0.699 5.044 4.340 0.009 0.000 0.324 264 R C 0.495 176.776 176.300 -0.031 0.000 0.968 264 R CA 0.848 56.964 56.100 0.028 0.000 0.837 264 R CB 1.169 31.546 30.300 0.129 0.000 1.133 264 R HN 1.222 nan 8.270 nan 0.000 0.450 265 G N 2.959 111.637 108.800 -0.202 0.000 2.443 265 G HA2 -0.236 3.729 3.960 0.009 0.000 0.209 265 G HA3 -0.236 3.729 3.960 0.009 0.000 0.209 265 G C -1.392 173.112 174.900 -0.660 0.000 1.176 265 G CA -0.138 44.763 45.100 -0.332 0.000 1.074 265 G HN 0.613 nan 8.290 nan 0.000 0.577 266 D N 1.605 121.765 120.400 -0.400 0.000 2.396 266 D HA 0.591 5.236 4.640 0.009 0.000 0.225 266 D C -1.087 175.113 176.300 -0.166 0.000 1.121 266 D CA -2.051 51.745 54.000 -0.341 0.000 0.853 266 D CB 1.540 42.452 40.800 0.186 0.000 1.043 266 D HN -0.017 nan 8.370 nan 0.000 0.500 267 P HA -0.111 nan 4.420 nan 0.000 0.218 267 P C 0.912 178.216 177.300 0.008 0.000 1.146 267 P CA 0.970 64.030 63.100 -0.067 0.000 0.813 267 P CB 0.281 31.951 31.700 -0.050 0.000 0.778 268 A N -0.427 122.418 122.820 0.041 0.000 2.067 268 A HA -0.128 4.197 4.320 0.009 0.000 0.219 268 A C 1.539 179.173 177.584 0.083 0.000 1.158 268 A CA 1.356 53.450 52.037 0.094 0.000 0.661 268 A CB -0.842 18.241 19.000 0.139 0.000 0.801 268 A HN 0.167 nan 8.150 nan 0.000 0.452 269 N N -0.237 118.494 118.700 0.051 0.000 2.321 269 N HA 0.168 4.913 4.740 0.009 0.000 0.242 269 N C 0.991 176.490 175.510 -0.019 0.000 1.141 269 N CA 0.094 53.159 53.050 0.024 0.000 0.864 269 N CB 0.693 39.190 38.487 0.017 0.000 1.100 269 N HN 0.190 nan 8.380 nan 0.000 0.510 270 V N 0.973 120.882 119.914 -0.008 0.000 2.261 270 V HA -0.248 3.877 4.120 0.009 0.000 0.246 270 V C 2.472 178.558 176.094 -0.013 0.000 1.047 270 V CA 1.883 64.175 62.300 -0.013 0.000 1.015 270 V CB -0.259 31.569 31.823 0.007 0.000 0.642 270 V HN 0.394 nan 8.190 nan 0.000 0.446 271 E N -0.259 119.937 120.200 -0.006 0.000 2.051 271 E HA -0.267 4.088 4.350 0.009 0.000 0.192 271 E C 2.137 178.650 176.600 -0.145 0.000 0.991 271 E CA 1.832 58.201 56.400 -0.052 0.000 0.799 271 E CB -0.213 29.488 29.700 0.001 0.000 0.748 271 E HN 0.480 nan 8.360 nan 0.000 0.449 272 I N 0.809 121.305 120.570 -0.124 0.000 2.286 272 I HA -0.210 3.965 4.170 0.009 0.000 0.248 272 I C 2.083 178.132 176.117 -0.113 0.000 1.115 272 I CA 1.590 62.794 61.300 -0.161 0.000 1.392 272 I CB -0.455 37.502 38.000 -0.071 0.000 1.065 272 I HN 0.106 nan 8.210 nan 0.000 0.418 273 T N 0.580 115.089 114.554 -0.075 0.000 2.720 273 T HA -0.187 4.169 4.350 0.009 0.000 0.268 273 T C 1.713 176.462 174.700 0.082 0.000 1.037 273 T CA 1.881 63.968 62.100 -0.023 0.000 1.144 273 T CB -0.284 68.559 68.868 -0.042 0.000 0.864 273 T HN 0.503 nan 8.240 nan 0.000 0.444 274 E N 0.676 120.902 120.200 0.042 0.000 2.150 274 E HA 0.003 4.358 4.350 0.009 0.000 0.193 274 E C 2.232 178.866 176.600 0.056 0.000 0.985 274 E CA 0.636 57.075 56.400 0.065 0.000 0.814 274 E CB -0.244 29.473 29.700 0.028 0.000 0.752 274 E HN 0.416 nan 8.360 nan 0.000 0.466 275 L N 0.422 121.634 121.223 -0.017 0.000 2.093 275 L HA -0.201 4.144 4.340 0.009 0.000 0.208 275 L C 2.526 179.477 176.870 0.134 0.000 1.085 275 L CA 0.702 55.558 54.840 0.028 0.000 0.755 275 L CB -0.318 41.654 42.059 -0.146 0.000 0.904 275 L HN 0.307 nan 8.230 nan 0.000 0.435 276 C N -0.132 119.201 119.300 0.055 0.000 2.429 276 C HA -0.136 4.329 4.460 0.009 0.000 0.277 276 C C 2.698 177.850 174.990 0.271 0.000 1.262 276 C CA 0.430 59.494 59.018 0.076 0.000 1.733 276 C CB -0.583 27.101 27.740 -0.093 0.000 2.010 276 C HN 0.422 nan 8.230 nan 0.000 0.483 277 I N 0.475 121.231 120.570 0.309 0.000 2.179 277 I HA -0.262 3.913 4.170 0.009 0.000 0.242 277 I C 2.641 178.839 176.117 0.136 0.000 1.088 277 I CA 1.531 62.984 61.300 0.254 0.000 1.357 277 I CB -0.732 37.388 38.000 0.200 0.000 1.051 277 I HN 0.451 nan 8.210 nan 0.000 0.409 278 Q N -0.083 119.783 119.800 0.111 0.000 2.234 278 Q HA -0.225 4.120 4.340 0.009 0.000 0.206 278 Q C 0.968 176.904 176.000 -0.108 0.000 0.980 278 Q CA 1.325 57.133 55.803 0.007 0.000 0.869 278 Q CB -0.175 28.567 28.738 0.008 0.000 0.912 278 Q HN 0.633 nan 8.270 nan 0.000 0.436 279 H N -1.659 117.405 119.070 -0.009 0.000 2.507 279 H HA 0.246 4.807 4.556 0.009 0.000 0.294 279 H C 0.761 176.070 175.328 -0.032 0.000 1.064 279 H CA 0.523 56.541 56.048 -0.052 0.000 1.138 279 H CB 0.657 30.343 29.762 -0.127 0.000 1.515 279 H HN 0.379 nan 8.280 nan 0.000 0.547 280 G N -0.333 108.507 108.800 0.068 0.000 2.176 280 G HA2 -0.267 3.698 3.960 0.009 0.000 0.232 280 G HA3 -0.267 3.698 3.960 0.009 0.000 0.232 280 G C 0.015 174.980 174.900 0.108 0.000 0.986 280 G CA -0.134 44.994 45.100 0.048 0.000 0.643 280 G HN 0.397 nan 8.290 nan 0.000 0.522 281 W N 2.642 123.925 121.300 -0.029 0.000 2.266 281 W HA 0.632 5.298 4.660 0.009 0.000 0.317 281 W C 0.275 176.790 176.519 -0.006 0.000 1.310 281 W CA 0.286 57.617 57.345 -0.024 0.000 1.207 281 W CB 0.782 30.235 29.460 -0.012 0.000 1.199 281 W HN 0.038 nan 8.180 nan 0.000 0.544 282 T N 9.735 123.924 114.554 -0.608 0.000 2.739 282 T HA 0.182 4.537 4.350 0.009 0.000 0.298 282 T C -2.052 171.884 174.700 -1.274 0.000 0.929 282 T CA -0.881 60.828 62.100 -0.653 0.000 1.014 282 T CB 0.353 68.991 68.868 -0.383 0.000 0.914 282 T HN 0.246 nan 8.240 nan 0.000 0.509 283 P HA 0.293 nan 4.420 nan 0.000 0.272 283 P C 0.352 177.286 177.300 -0.610 0.000 1.223 283 P CA -0.235 62.206 63.100 -1.099 0.000 0.784 283 P CB 0.982 32.451 31.700 -0.385 0.000 0.923 284 G N 0.946 109.542 108.800 -0.339 0.000 2.736 284 G HA2 0.336 4.302 3.960 0.009 0.000 0.229 284 G HA3 0.336 4.302 3.960 0.009 0.000 0.229 284 G C 0.048 174.666 174.900 -0.470 0.000 1.380 284 G CA -0.726 44.257 45.100 -0.196 0.000 1.040 284 G HN 0.758 nan 8.290 nan 0.000 0.568 285 N N -1.495 117.040 118.700 -0.274 0.000 2.381 285 N HA 0.252 4.998 4.740 0.009 0.000 0.257 285 N C 0.486 175.980 175.510 -0.027 0.000 1.409 285 N CA -0.427 52.401 53.050 -0.370 0.000 0.836 285 N CB 0.899 39.225 38.487 -0.268 0.000 1.384 285 N HN 0.644 nan 8.380 nan 0.000 0.490 286 G N 0.452 109.357 108.800 0.174 0.000 2.535 286 G HA2 0.215 4.180 3.960 0.009 0.000 0.303 286 G HA3 0.215 4.180 3.960 0.009 0.000 0.303 286 G C 0.239 175.262 174.900 0.205 0.000 1.237 286 G CA -0.655 44.559 45.100 0.190 0.000 0.986 286 G HN 0.159 nan 8.290 nan 0.000 0.494 287 R N -1.372 119.165 120.500 0.061 0.000 2.254 287 R HA 0.205 4.550 4.340 0.009 0.000 0.195 287 R C -0.105 175.812 176.300 -0.639 0.000 0.957 287 R CA 0.296 56.260 56.100 -0.227 0.000 1.024 287 R CB 0.069 30.206 30.300 -0.272 0.000 0.952 287 R HN 0.409 nan 8.270 nan 0.000 0.484 288 F N 0.671 120.615 119.950 -0.009 0.000 2.576 288 F HA 0.264 4.796 4.527 0.009 0.000 0.365 288 F C -0.973 174.880 175.800 0.088 0.000 1.506 288 F CA -1.053 56.754 58.000 -0.321 0.000 1.113 288 F CB 0.825 39.432 39.000 -0.655 0.000 1.293 288 F HN -0.271 nan 8.300 nan 0.000 0.540 289 D N 1.774 122.386 120.400 0.354 0.000 2.316 289 D HA 0.182 4.827 4.640 0.009 0.000 0.245 289 D C 0.250 176.787 176.300 0.394 0.000 1.171 289 D CA 0.138 54.380 54.000 0.404 0.000 0.856 289 D CB 2.138 43.225 40.800 0.478 0.000 1.090 289 D HN -0.056 nan 8.370 nan 0.000 0.476 290 V N 3.826 123.932 119.914 0.321 0.000 2.529 290 V HA -0.011 4.115 4.120 0.009 0.000 0.292 290 V C 1.028 177.099 176.094 -0.038 0.000 1.028 290 V CA -0.171 62.185 62.300 0.092 0.000 1.074 290 V CB 0.228 32.074 31.823 0.037 0.000 0.958 290 V HN 0.337 nan 8.190 nan 0.000 0.481 291 L N 7.990 129.084 121.223 -0.215 0.000 2.453 291 L HA 0.405 4.751 4.340 0.009 0.000 0.261 291 L C -1.711 174.888 176.870 -0.451 0.000 1.179 291 L CA -1.431 53.119 54.840 -0.482 0.000 0.813 291 L CB 1.072 42.870 42.059 -0.436 0.000 1.110 291 L HN 0.488 nan 8.230 nan 0.000 0.466 292 P HA 0.305 nan 4.420 nan 0.000 0.280 292 P C -1.247 175.879 177.300 -0.290 0.000 1.272 292 P CA -0.565 62.285 63.100 -0.417 0.000 0.819 292 P CB 1.160 32.533 31.700 -0.546 0.000 1.122 293 L N 0.548 121.683 121.223 -0.148 0.000 2.322 293 L HA 0.439 4.784 4.340 0.009 0.000 0.279 293 L C 0.371 177.193 176.870 -0.081 0.000 1.036 293 L CA -0.857 53.937 54.840 -0.076 0.000 0.807 293 L CB 0.881 42.954 42.059 0.024 0.000 1.226 293 L HN 0.191 nan 8.230 nan 0.000 0.433 294 L N 4.772 125.928 121.223 -0.113 0.000 2.283 294 L HA 0.449 4.794 4.340 0.009 0.000 0.281 294 L C -0.601 176.140 176.870 -0.216 0.000 1.033 294 L CA -0.242 54.434 54.840 -0.274 0.000 0.848 294 L CB 0.880 42.653 42.059 -0.477 0.000 1.226 294 L HN 0.434 nan 8.230 nan 0.000 0.429 295 L N 3.697 124.858 121.223 -0.103 0.000 2.307 295 L HA 0.499 4.845 4.340 0.009 0.000 0.282 295 L C -0.195 176.608 176.870 -0.111 0.000 1.051 295 L CA -0.353 54.450 54.840 -0.061 0.000 0.804 295 L CB 1.683 43.712 42.059 -0.051 0.000 1.197 295 L HN 0.563 nan 8.230 nan 0.000 0.431 296 Q N 2.340 122.103 119.800 -0.062 0.000 2.310 296 Q HA 0.669 5.014 4.340 0.009 0.000 0.270 296 Q C -1.264 174.671 176.000 -0.109 0.000 1.025 296 Q CA -0.551 55.218 55.803 -0.057 0.000 0.772 296 Q CB 2.226 31.022 28.738 0.097 0.000 1.253 296 Q HN 0.788 nan 8.270 nan 0.000 0.450 297 A N 4.772 127.479 122.820 -0.189 0.000 2.282 297 A HA 0.705 5.030 4.320 0.009 0.000 0.319 297 A C -2.462 174.857 177.584 -0.441 0.000 1.121 297 A CA -1.737 50.030 52.037 -0.450 0.000 0.836 297 A CB 0.280 19.118 19.000 -0.270 0.000 1.146 297 A HN 0.628 nan 8.150 nan 0.000 0.494 298 P HA 0.001 nan 4.420 nan 0.000 0.259 298 P C -0.605 176.592 177.300 -0.172 0.000 1.163 298 P CA 0.956 63.838 63.100 -0.363 0.000 0.760 298 P CB 0.108 31.593 31.700 -0.359 0.000 0.762 299 D N 0.170 120.516 120.400 -0.090 0.000 2.882 299 D HA -0.202 4.443 4.640 0.009 0.000 0.229 299 D C -0.095 176.189 176.300 -0.027 0.000 1.167 299 D CA 1.338 55.315 54.000 -0.037 0.000 0.759 299 D CB -0.772 40.010 40.800 -0.030 0.000 1.088 299 D HN 0.569 nan 8.370 nan 0.000 0.425 300 E N -0.799 119.378 120.200 -0.037 0.000 2.299 300 E HA 0.667 5.022 4.350 0.009 0.000 0.265 300 E C -0.201 176.397 176.600 -0.003 0.000 0.911 300 E CA -0.807 55.578 56.400 -0.026 0.000 0.789 300 E CB 1.735 31.404 29.700 -0.051 0.000 1.246 300 E HN 0.144 nan 8.360 nan 0.000 0.427 301 A N 2.569 125.389 122.820 -0.001 0.000 2.386 301 A HA 0.361 4.686 4.320 0.009 0.000 0.248 301 A C -2.146 175.378 177.584 -0.101 0.000 1.082 301 A CA -1.043 50.995 52.037 0.002 0.000 0.789 301 A CB -0.243 18.770 19.000 0.021 0.000 1.025 301 A HN 0.336 nan 8.150 nan 0.000 0.490 302 P HA 0.192 nan 4.420 nan 0.000 0.271 302 P C -0.707 176.389 177.300 -0.340 0.000 1.216 302 P CA 0.123 62.931 63.100 -0.486 0.000 0.776 302 P CB 0.778 31.711 31.700 -1.278 0.000 0.881 303 E N 1.028 121.100 120.200 -0.212 0.000 2.191 303 E HA 0.393 4.748 4.350 0.009 0.000 0.274 303 E C -0.675 175.756 176.600 -0.282 0.000 0.948 303 E CA -1.061 55.212 56.400 -0.211 0.000 0.802 303 E CB 1.306 30.945 29.700 -0.102 0.000 1.137 303 E HN 0.292 nan 8.360 nan 0.000 0.397 304 L N 3.231 124.181 121.223 -0.456 0.000 2.326 304 L HA 0.415 4.760 4.340 0.009 0.000 0.278 304 L C -1.489 174.930 176.870 -0.751 0.000 1.092 304 L CA 0.264 54.857 54.840 -0.412 0.000 0.810 304 L CB 0.140 42.042 42.059 -0.261 0.000 1.153 304 L HN 0.411 nan 8.230 nan 0.000 0.439 305 F N 3.807 123.539 119.950 -0.363 0.000 2.561 305 F HA 0.463 4.996 4.527 0.010 0.000 0.313 305 F C -0.384 175.158 175.800 -0.431 0.000 1.126 305 F CA -0.874 56.774 58.000 -0.587 0.000 0.918 305 F CB 1.861 40.182 39.000 -1.133 0.000 1.199 305 F HN 0.007 nan 8.300 nan 0.000 0.444 306 V N 4.731 124.545 119.914 -0.166 0.000 2.383 306 V HA 0.295 4.420 4.120 0.009 0.000 0.275 306 V C 0.145 176.319 176.094 0.134 0.000 1.036 306 V CA -0.729 61.564 62.300 -0.013 0.000 0.889 306 V CB 1.267 33.120 31.823 0.050 0.000 0.985 306 V HN 0.535 nan 8.190 nan 0.000 0.459 307 L N 7.507 128.833 121.223 0.172 0.000 2.410 307 L HA 0.273 4.618 4.340 0.009 0.000 0.273 307 L C -2.086 174.888 176.870 0.173 0.000 1.144 307 L CA -1.436 53.556 54.840 0.253 0.000 0.863 307 L CB 0.455 42.594 42.059 0.132 0.000 1.140 307 L HN 0.432 nan 8.230 nan 0.000 0.463 308 P HA 0.052 nan 4.420 nan 0.000 0.263 308 P C -1.983 175.365 177.300 0.080 0.000 1.195 308 P CA -0.899 62.272 63.100 0.118 0.000 0.762 308 P CB 0.379 32.138 31.700 0.099 0.000 0.799 309 P HA -0.266 nan 4.420 nan 0.000 0.218 309 P C 1.410 178.738 177.300 0.047 0.000 1.154 309 P CA 1.472 64.610 63.100 0.064 0.000 0.872 309 P CB -0.201 31.539 31.700 0.067 0.000 0.790 310 E N -0.083 120.141 120.200 0.041 0.000 2.265 310 E HA -0.154 4.201 4.350 0.009 0.000 0.196 310 E C 1.706 178.318 176.600 0.021 0.000 0.996 310 E CA 1.104 57.521 56.400 0.028 0.000 0.832 310 E CB -1.084 28.630 29.700 0.023 0.000 0.756 310 E HN 0.328 nan 8.360 nan 0.000 0.491 311 L N 0.963 122.199 121.223 0.022 0.000 2.446 311 L HA 0.105 4.450 4.340 0.009 0.000 0.219 311 L C 0.675 177.554 176.870 0.014 0.000 1.116 311 L CA 0.048 54.895 54.840 0.012 0.000 0.844 311 L CB 0.505 42.562 42.059 -0.003 0.000 0.970 311 L HN -0.099 nan 8.230 nan 0.000 0.457 312 V N 2.232 122.158 119.914 0.018 0.000 2.284 312 V HA 0.136 4.261 4.120 0.009 0.000 0.260 312 V C 0.079 176.195 176.094 0.036 0.000 1.084 312 V CA -0.519 61.789 62.300 0.013 0.000 0.894 312 V CB 1.075 32.895 31.823 -0.005 0.000 1.119 312 V HN 0.058 nan 8.190 nan 0.000 0.484 313 L N 5.577 126.828 121.223 0.047 0.000 2.410 313 L HA 0.385 4.731 4.340 0.009 0.000 0.273 313 L C 0.252 177.158 176.870 0.061 0.000 1.144 313 L CA 0.855 55.719 54.840 0.040 0.000 0.863 313 L CB 0.244 42.323 42.059 0.032 0.000 1.140 313 L HN 0.647 nan 8.230 nan 0.000 0.463 314 E N 3.323 123.538 120.200 0.024 0.000 2.320 314 E HA 0.629 4.985 4.350 0.009 0.000 0.264 314 E C -1.449 175.097 176.600 -0.090 0.000 0.923 314 E CA -1.061 55.352 56.400 0.022 0.000 0.796 314 E CB 2.458 32.197 29.700 0.065 0.000 1.262 314 E HN 0.349 nan 8.360 nan 0.000 0.428 315 V N 2.572 122.402 119.914 -0.141 0.000 2.443 315 V HA 0.297 4.423 4.120 0.009 0.000 0.293 315 V C -2.472 173.550 176.094 -0.120 0.000 1.021 315 V CA -1.969 60.188 62.300 -0.239 0.000 0.848 315 V CB 1.448 32.895 31.823 -0.627 0.000 0.998 315 V HN 0.518 nan 8.190 nan 0.000 0.424 316 P HA 0.300 nan 4.420 nan 0.000 0.276 316 P C -0.679 176.621 177.300 -0.001 0.000 1.230 316 P CA -0.115 62.948 63.100 -0.061 0.000 0.776 316 P CB 0.605 32.278 31.700 -0.045 0.000 0.888 317 L N 3.522 124.781 121.223 0.060 0.000 2.276 317 L HA 0.458 4.804 4.340 0.009 0.000 0.286 317 L C 1.000 178.033 176.870 0.273 0.000 1.061 317 L CA -0.192 54.755 54.840 0.178 0.000 0.807 317 L CB 0.556 42.786 42.059 0.286 0.000 1.177 317 L HN 0.480 nan 8.230 nan 0.000 0.429 318 E N 1.930 122.265 120.200 0.226 0.000 2.416 318 E HA 0.427 4.782 4.350 0.009 0.000 0.273 318 E C -1.336 175.324 176.600 0.100 0.000 0.935 318 E CA -0.953 55.593 56.400 0.244 0.000 0.784 318 E CB 2.316 32.122 29.700 0.177 0.000 1.301 318 E HN 0.469 nan 8.360 nan 0.000 0.454 319 H N 1.504 120.479 119.070 -0.160 0.000 2.472 319 H HA 0.234 4.796 4.556 0.009 0.000 0.338 319 H C -1.775 173.263 175.328 -0.483 0.000 1.133 319 H CA -2.295 53.489 56.048 -0.440 0.000 1.216 319 H CB 2.030 31.409 29.762 -0.638 0.000 1.497 319 H HN 0.427 nan 8.280 nan 0.000 0.500 320 P HA -0.157 nan 4.420 nan 0.000 0.216 320 P C 0.963 178.090 177.300 -0.288 0.000 1.150 320 P CA 2.159 64.738 63.100 -0.868 0.000 0.843 320 P CB 0.394 31.578 31.700 -0.859 0.000 0.787 321 T N -4.100 110.455 114.554 0.001 0.000 2.987 321 T HA 0.197 4.552 4.350 0.009 0.000 0.248 321 T C 1.035 175.695 174.700 -0.068 0.000 0.997 321 T CA -0.233 61.870 62.100 0.004 0.000 1.013 321 T CB -0.681 68.200 68.868 0.022 0.000 1.077 321 T HN -0.061 nan 8.240 nan 0.000 0.483 322 L N 2.936 124.042 121.223 -0.195 0.000 2.401 322 L HA 0.318 4.663 4.340 0.009 0.000 0.283 322 L C 1.262 177.766 176.870 -0.610 0.000 1.151 322 L CA -0.255 54.184 54.840 -0.668 0.000 0.942 322 L CB 0.246 41.500 42.059 -1.341 0.000 1.283 322 L HN 0.294 nan 8.230 nan 0.000 0.442 323 E N 3.108 123.116 120.200 -0.320 0.000 2.209 323 E HA -0.212 4.143 4.350 0.009 0.000 0.196 323 E C 1.518 178.079 176.600 -0.064 0.000 0.993 323 E CA 1.443 57.767 56.400 -0.126 0.000 0.819 323 E CB 0.010 29.708 29.700 -0.004 0.000 0.745 323 E HN 0.823 nan 8.360 nan 0.000 0.477 324 W N -0.181 121.171 121.300 0.086 0.000 2.678 324 W HA 0.016 4.681 4.660 0.009 0.000 0.256 324 W C 1.464 178.040 176.519 0.095 0.000 1.280 324 W CA -0.261 57.125 57.345 0.069 0.000 1.345 324 W CB -0.875 28.604 29.460 0.031 0.000 1.118 324 W HN -0.060 nan 8.180 nan 0.000 0.629 325 F N 2.987 122.727 119.950 -0.349 0.000 2.120 325 F HA -0.188 4.344 4.527 0.009 0.000 0.300 325 F C 2.732 178.563 175.800 0.052 0.000 1.095 325 F CA 3.138 61.048 58.000 -0.149 0.000 1.249 325 F CB -0.564 38.219 39.000 -0.361 0.000 0.995 325 F HN -0.074 nan 8.300 nan 0.000 0.480 326 A N 0.006 122.963 122.820 0.229 0.000 1.978 326 A HA -0.129 4.196 4.320 0.009 0.000 0.220 326 A C 2.306 179.951 177.584 0.101 0.000 1.170 326 A CA 1.595 53.732 52.037 0.166 0.000 0.636 326 A CB -1.456 17.619 19.000 0.125 0.000 0.810 326 A HN 0.452 nan 8.150 nan 0.000 0.448 327 A N -0.942 121.949 122.820 0.117 0.000 2.125 327 A HA 0.043 4.368 4.320 0.009 0.000 0.219 327 A C 1.800 179.422 177.584 0.063 0.000 1.156 327 A CA 1.365 53.461 52.037 0.098 0.000 0.671 327 A CB -0.409 18.672 19.000 0.136 0.000 0.794 327 A HN 0.383 nan 8.150 nan 0.000 0.459 328 L N -0.921 120.316 121.223 0.023 0.000 2.275 328 L HA 0.060 4.405 4.340 0.009 0.000 0.215 328 L C 1.916 178.791 176.870 0.008 0.000 1.119 328 L CA 1.303 56.125 54.840 -0.031 0.000 0.790 328 L CB -1.190 40.740 42.059 -0.215 0.000 0.919 328 L HN 0.672 nan 8.230 nan 0.000 0.443 329 G N -0.672 108.135 108.800 0.012 0.000 2.198 329 G HA2 -0.283 3.682 3.960 0.009 0.000 0.260 329 G HA3 -0.283 3.682 3.960 0.009 0.000 0.260 329 G C 0.359 175.235 174.900 -0.040 0.000 1.025 329 G CA 0.389 45.499 45.100 0.015 0.000 0.769 329 G HN 0.314 nan 8.290 nan 0.000 0.507 330 L N -0.463 120.720 121.223 -0.067 0.000 2.439 330 L HA 0.839 5.184 4.340 0.009 0.000 0.261 330 L C 1.103 177.780 176.870 -0.322 0.000 1.153 330 L CA -0.626 54.111 54.840 -0.171 0.000 0.808 330 L CB 0.999 43.060 42.059 0.003 0.000 1.126 330 L HN 0.596 nan 8.230 nan 0.000 0.460 331 R N 0.629 120.779 120.500 -0.583 0.000 2.741 331 R HA 0.441 4.786 4.340 0.009 0.000 0.276 331 R C -2.261 173.961 176.300 -0.130 0.000 1.028 331 R CA -1.019 54.867 56.100 -0.355 0.000 0.865 331 R CB 1.478 31.497 30.300 -0.470 0.000 1.268 331 R HN 0.664 nan 8.270 nan 0.000 0.475 332 W N 1.541 122.786 121.300 -0.091 0.000 3.213 332 W HA 0.351 5.016 4.660 0.008 0.000 0.318 332 W C -1.299 175.313 176.519 0.156 0.000 1.248 332 W CA -0.949 56.437 57.345 0.070 0.000 1.187 332 W CB 1.943 31.372 29.460 -0.052 0.000 1.403 332 W HN 0.684 nan 8.180 nan 0.000 0.556 333 Y N 1.270 121.490 120.300 -0.133 0.000 2.304 333 Y HA 0.544 5.099 4.550 0.008 0.000 0.327 333 Y C 0.818 176.961 175.900 0.404 0.000 1.209 333 Y CA 0.092 58.217 58.100 0.042 0.000 1.299 333 Y CB 0.282 38.638 38.460 -0.174 0.000 1.249 333 Y HN 0.365 nan 8.280 nan 0.000 0.519 334 A N 2.859 125.956 122.820 0.461 0.000 1.929 334 A HA -0.006 4.319 4.320 0.009 0.000 0.216 334 A C 0.644 178.589 177.584 0.601 0.000 1.176 334 A CA 0.641 52.991 52.037 0.523 0.000 0.628 334 A CB -0.421 18.721 19.000 0.236 0.000 0.816 334 A HN 0.709 nan 8.150 nan 0.000 0.444 335 L N 1.879 123.406 121.223 0.508 0.000 2.262 335 L HA 0.402 4.748 4.340 0.009 0.000 0.288 335 L C -2.530 174.502 176.870 0.270 0.000 1.035 335 L CA -2.195 52.842 54.840 0.329 0.000 0.820 335 L CB 1.524 43.697 42.059 0.191 0.000 1.204 335 L HN -0.008 nan 8.230 nan 0.000 0.424 336 P HA 0.318 nan 4.420 nan 0.000 0.288 336 P C -1.446 175.763 177.300 -0.152 0.000 1.363 336 P CA -0.321 62.662 63.100 -0.194 0.000 0.837 336 P CB 1.317 32.518 31.700 -0.831 0.000 0.981 337 A N 4.533 127.266 122.820 -0.146 0.000 2.363 337 A HA 0.447 4.773 4.320 0.009 0.000 0.296 337 A C -0.233 177.133 177.584 -0.364 0.000 1.237 337 A CA -0.680 51.198 52.037 -0.265 0.000 0.773 337 A CB 0.954 19.806 19.000 -0.246 0.000 1.153 337 A HN 0.302 nan 8.150 nan 0.000 0.473 338 V N 3.146 122.678 119.914 -0.636 0.000 2.470 338 V HA 0.268 4.393 4.120 0.009 0.000 0.276 338 V C 1.164 176.859 176.094 -0.666 0.000 1.040 338 V CA 0.941 62.818 62.300 -0.706 0.000 1.008 338 V CB 0.862 32.007 31.823 -1.130 0.000 0.990 338 V HN 1.073 nan 8.190 nan 0.000 0.477 339 S N 1.906 117.418 115.700 -0.314 0.000 2.666 339 S HA 0.040 4.515 4.470 0.009 0.000 0.239 339 S C 0.827 175.409 174.600 -0.029 0.000 1.031 339 S CA 0.096 58.199 58.200 -0.162 0.000 1.015 339 S CB -0.373 62.770 63.200 -0.094 0.000 0.981 339 S HN 0.910 nan 8.310 nan 0.000 0.547 340 N N 0.343 119.033 118.700 -0.017 0.000 2.204 340 N HA 0.305 5.050 4.740 0.009 0.000 0.219 340 N C 0.056 175.620 175.510 0.091 0.000 1.151 340 N CA -0.466 52.616 53.050 0.055 0.000 0.867 340 N CB 0.140 38.666 38.487 0.064 0.000 1.043 340 N HN 0.261 nan 8.380 nan 0.000 0.516 341 M N 1.378 121.044 119.600 0.109 0.000 2.444 341 M HA 0.333 4.818 4.480 0.009 0.000 0.319 341 M C -0.629 175.815 176.300 0.239 0.000 1.183 341 M CA -0.866 54.547 55.300 0.188 0.000 1.032 341 M CB 2.503 35.247 32.600 0.241 0.000 1.569 341 M HN 0.130 nan 8.290 nan 0.000 0.468 342 L N 2.987 124.336 121.223 0.210 0.000 2.295 342 L HA 0.508 4.853 4.340 0.009 0.000 0.285 342 L C -1.337 175.660 176.870 0.210 0.000 1.035 342 L CA -0.919 54.035 54.840 0.190 0.000 0.806 342 L CB 1.082 43.203 42.059 0.103 0.000 1.214 342 L HN 0.582 nan 8.230 nan 0.000 0.426 343 L N 5.399 126.751 121.223 0.214 0.000 2.265 343 L HA 0.446 4.791 4.340 0.009 0.000 0.289 343 L C -0.482 176.424 176.870 0.061 0.000 1.033 343 L CA 0.253 55.124 54.840 0.051 0.000 0.814 343 L CB 1.059 43.156 42.059 0.063 0.000 1.203 343 L HN 0.631 nan 8.230 nan 0.000 0.423 344 E N 6.564 126.710 120.200 -0.089 0.000 2.151 344 E HA 0.411 4.766 4.350 0.009 0.000 0.275 344 E C -1.568 174.946 176.600 -0.145 0.000 0.936 344 E CA -0.438 55.914 56.400 -0.079 0.000 0.777 344 E CB 1.174 30.824 29.700 -0.083 0.000 1.108 344 E HN 0.731 nan 8.360 nan 0.000 0.401 345 I N 2.593 123.079 120.570 -0.141 0.000 2.500 345 I HA 0.258 4.433 4.170 0.009 0.000 0.286 345 I C 0.742 176.646 176.117 -0.356 0.000 1.063 345 I CA -0.713 60.383 61.300 -0.341 0.000 1.062 345 I CB 2.003 39.735 38.000 -0.448 0.000 1.223 345 I HN 0.789 nan 8.210 nan 0.000 0.435 346 G N 4.232 112.881 108.800 -0.252 0.000 2.341 346 G HA2 -0.127 3.838 3.960 0.009 0.000 0.292 346 G HA3 -0.127 3.838 3.960 0.009 0.000 0.292 346 G C 1.051 176.022 174.900 0.119 0.000 1.021 346 G CA 0.840 45.979 45.100 0.065 0.000 0.905 346 G HN 1.552 nan 8.290 nan 0.000 0.508 347 G N -1.889 106.921 108.800 0.017 0.000 2.253 347 G HA2 -0.269 3.696 3.960 0.009 0.000 0.251 347 G HA3 -0.269 3.696 3.960 0.009 0.000 0.251 347 G C 0.591 175.436 174.900 -0.091 0.000 0.998 347 G CA 0.525 45.630 45.100 0.008 0.000 0.621 347 G HN 1.298 nan 8.290 nan 0.000 0.524 348 L N 0.839 121.944 121.223 -0.197 0.000 2.397 348 L HA 0.517 4.862 4.340 0.009 0.000 0.271 348 L C 0.384 177.001 176.870 -0.422 0.000 1.148 348 L CA -0.081 54.510 54.840 -0.414 0.000 0.825 348 L CB 0.919 42.619 42.059 -0.599 0.000 1.117 348 L HN 0.208 nan 8.230 nan 0.000 0.456 349 E N 2.753 122.643 120.200 -0.518 0.000 2.185 349 E HA 0.322 4.677 4.350 0.009 0.000 0.261 349 E C -1.434 174.872 176.600 -0.490 0.000 0.879 349 E CA -0.394 55.788 56.400 -0.364 0.000 0.756 349 E CB 1.415 31.004 29.700 -0.186 0.000 1.152 349 E HN 0.269 nan 8.360 nan 0.000 0.416 350 F N 2.219 122.139 119.950 -0.049 0.000 2.309 350 F HA 0.088 4.621 4.527 0.010 0.000 0.366 350 F C 1.616 177.453 175.800 0.062 0.000 1.104 350 F CA -0.449 57.550 58.000 -0.002 0.000 1.179 350 F CB 0.853 39.836 39.000 -0.029 0.000 1.437 350 F HN 0.420 nan 8.300 nan 0.000 0.528 351 S N 1.273 117.074 115.700 0.170 0.000 2.442 351 S HA 0.085 4.560 4.470 0.009 0.000 0.236 351 S C 0.901 175.635 174.600 0.223 0.000 1.007 351 S CA 0.454 58.753 58.200 0.166 0.000 0.965 351 S CB -0.024 63.250 63.200 0.124 0.000 0.773 351 S HN 0.480 nan 8.310 nan 0.000 0.504 352 A N 0.499 123.499 122.820 0.299 0.000 2.466 352 A HA 0.822 5.147 4.320 0.009 0.000 0.291 352 A C -0.189 177.646 177.584 0.419 0.000 1.234 352 A CA -0.170 52.079 52.037 0.353 0.000 0.752 352 A CB 0.812 20.027 19.000 0.359 0.000 1.153 352 A HN 0.973 nan 8.150 nan 0.000 0.458 353 A N 4.162 127.164 122.820 0.305 0.000 3.307 353 A HA 0.646 4.971 4.320 0.009 0.000 0.289 353 A C -3.025 174.681 177.584 0.203 0.000 1.138 353 A CA -1.004 51.156 52.037 0.206 0.000 0.860 353 A CB 0.482 19.606 19.000 0.205 0.000 1.318 353 A HN 0.500 nan 8.150 nan 0.000 0.551 354 P HA 0.394 nan 4.420 nan 0.000 0.268 354 P C -0.778 176.504 177.300 -0.029 0.000 1.204 354 P CA 0.455 63.491 63.100 -0.107 0.000 0.768 354 P CB 0.247 31.846 31.700 -0.170 0.000 0.842 355 F N -0.027 119.845 119.950 -0.130 0.000 2.588 355 F HA 0.778 5.309 4.527 0.008 0.000 0.314 355 F C -0.480 175.221 175.800 -0.165 0.000 1.069 355 F CA -1.180 56.746 58.000 -0.122 0.000 0.931 355 F CB 1.694 40.507 39.000 -0.312 0.000 1.260 355 F HN 0.406 nan 8.300 nan 0.000 0.465 356 S N 0.472 116.235 115.700 0.105 0.000 2.579 356 S HA 0.963 5.438 4.470 0.009 0.000 0.272 356 S C -0.753 173.799 174.600 -0.080 0.000 1.141 356 S CA -0.167 58.031 58.200 -0.003 0.000 0.843 356 S CB 1.535 64.805 63.200 0.116 0.000 1.122 356 S HN 1.468 nan 8.310 nan 0.000 0.468 357 G N -0.122 108.592 108.800 -0.144 0.000 3.354 357 G HA2 0.730 4.695 3.960 0.009 0.000 0.174 357 G HA3 0.730 4.695 3.960 0.009 0.000 0.174 357 G C -1.600 173.304 174.900 0.006 0.000 1.140 357 G CA -0.300 44.653 45.100 -0.245 0.000 0.897 357 G HN 1.166 nan 8.290 nan 0.000 0.685 358 W N -1.454 119.854 121.300 0.013 0.000 3.031 358 W HA 0.817 5.481 4.660 0.007 0.000 0.337 358 W C -1.692 174.841 176.519 0.023 0.000 1.187 358 W CA -2.135 55.237 57.345 0.046 0.000 1.166 358 W CB 0.451 29.979 29.460 0.113 0.000 1.437 358 W HN 0.406 nan 8.180 nan 0.000 0.551 359 Y N 2.505 123.004 120.300 0.332 0.000 2.326 359 Y HA 0.312 4.868 4.550 0.009 0.000 0.333 359 Y C 0.766 176.733 175.900 0.112 0.000 1.240 359 Y CA -0.651 57.525 58.100 0.127 0.000 1.365 359 Y CB 1.165 39.609 38.460 -0.027 0.000 1.289 359 Y HN 0.461 nan 8.280 nan 0.000 0.548 360 M N 1.919 121.678 119.600 0.265 0.000 2.205 360 M HA 0.207 4.692 4.480 0.009 0.000 0.344 360 M C 1.018 177.309 176.300 -0.015 0.000 1.085 360 M CA -0.301 55.075 55.300 0.126 0.000 1.001 360 M CB 1.173 33.826 32.600 0.089 0.000 1.626 360 M HN 0.830 nan 8.290 nan 0.000 0.442 361 S N 1.299 116.948 115.700 -0.085 0.000 2.392 361 S HA -0.211 4.264 4.470 0.009 0.000 0.232 361 S C 1.450 175.905 174.600 -0.242 0.000 1.041 361 S CA 2.254 60.326 58.200 -0.213 0.000 1.026 361 S CB -1.422 61.694 63.200 -0.140 0.000 0.845 361 S HN 0.925 nan 8.310 nan 0.000 0.465 362 T N -0.052 114.391 114.554 -0.185 0.000 2.962 362 T HA -0.003 4.352 4.350 0.009 0.000 0.270 362 T C 1.552 176.091 174.700 -0.268 0.000 1.088 362 T CA 1.184 63.130 62.100 -0.256 0.000 1.127 362 T CB -0.530 68.156 68.868 -0.304 0.000 0.883 362 T HN 0.593 nan 8.240 nan 0.000 0.493 363 E N 0.875 120.933 120.200 -0.237 0.000 2.077 363 E HA -0.040 4.315 4.350 0.009 0.000 0.193 363 E C 2.040 178.355 176.600 -0.475 0.000 0.989 363 E CA 1.361 57.617 56.400 -0.238 0.000 0.800 363 E CB -0.259 29.428 29.700 -0.022 0.000 0.746 363 E HN 0.593 nan 8.360 nan 0.000 0.452 364 I N 0.050 120.203 120.570 -0.695 0.000 2.270 364 I HA -0.060 4.115 4.170 0.009 0.000 0.239 364 I C 2.599 178.354 176.117 -0.603 0.000 1.080 364 I CA 0.930 61.652 61.300 -0.964 0.000 1.383 364 I CB -0.574 36.771 38.000 -1.093 0.000 1.097 364 I HN 0.111 nan 8.210 nan 0.000 0.420 365 G N 0.241 108.793 108.800 -0.413 0.000 2.422 365 G HA2 -0.177 3.788 3.960 0.009 0.000 0.218 365 G HA3 -0.177 3.788 3.960 0.009 0.000 0.218 365 G C 1.620 176.401 174.900 -0.197 0.000 1.146 365 G CA 1.572 46.524 45.100 -0.246 0.000 0.769 365 G HN 0.307 nan 8.290 nan 0.000 0.547 366 T N -0.124 114.290 114.554 -0.233 0.000 2.980 366 T HA 0.107 4.462 4.350 0.009 0.000 0.239 366 T C 2.527 177.115 174.700 -0.187 0.000 1.011 366 T CA 0.267 62.251 62.100 -0.193 0.000 1.171 366 T CB 0.072 68.809 68.868 -0.219 0.000 0.873 366 T HN 0.003 nan 8.240 nan 0.000 0.431 367 R N 2.107 122.474 120.500 -0.222 0.000 2.060 367 R HA 0.133 4.478 4.340 0.009 0.000 0.225 367 R C 2.198 178.377 176.300 -0.202 0.000 1.155 367 R CA 1.131 57.110 56.100 -0.202 0.000 0.930 367 R CB -1.308 28.873 30.300 -0.199 0.000 0.829 367 R HN 0.321 nan 8.270 nan 0.000 0.433 368 N N 1.006 119.537 118.700 -0.281 0.000 2.149 368 N HA -0.115 4.631 4.740 0.009 0.000 0.188 368 N C 1.897 177.334 175.510 -0.121 0.000 1.019 368 N CA 1.107 53.993 53.050 -0.273 0.000 0.857 368 N CB -0.203 37.817 38.487 -0.778 0.000 0.997 368 N HN 0.218 nan 8.380 nan 0.000 0.426 369 L N -1.057 120.053 121.223 -0.187 0.000 2.408 369 L HA 0.114 4.459 4.340 0.009 0.000 0.215 369 L C 1.223 178.121 176.870 0.047 0.000 1.081 369 L CA 0.328 55.152 54.840 -0.027 0.000 0.840 369 L CB 0.267 42.283 42.059 -0.072 0.000 1.002 369 L HN 0.148 nan 8.230 nan 0.000 0.468 370 C N -1.608 117.679 119.300 -0.020 0.000 3.230 370 C HA 0.186 4.651 4.460 0.009 0.000 0.300 370 C C 0.700 175.675 174.990 -0.025 0.000 1.292 370 C CA -0.902 58.115 59.018 -0.002 0.000 1.707 370 C CB -0.203 27.523 27.740 -0.023 0.000 2.181 370 C HN 0.282 nan 8.230 nan 0.000 0.655 371 D N 2.433 122.785 120.400 -0.080 0.000 2.488 371 D HA 0.063 4.709 4.640 0.009 0.000 0.238 371 D C -1.432 174.839 176.300 -0.048 0.000 1.138 371 D CA -0.996 52.930 54.000 -0.123 0.000 0.873 371 D CB 0.675 41.241 40.800 -0.391 0.000 1.183 371 D HN 0.125 nan 8.370 nan 0.000 0.458 372 P HA -0.144 nan 4.420 nan 0.000 0.218 372 P C 0.661 178.053 177.300 0.153 0.000 1.148 372 P CA 1.256 64.436 63.100 0.134 0.000 0.822 372 P CB 0.029 31.826 31.700 0.162 0.000 0.784 373 H N -2.908 116.171 119.070 0.015 0.000 2.517 373 H HA 0.342 4.903 4.556 0.009 0.000 0.282 373 H C 0.938 176.273 175.328 0.012 0.000 1.023 373 H CA -0.043 56.012 56.048 0.011 0.000 1.169 373 H CB -0.057 29.711 29.762 0.011 0.000 1.454 373 H HN -0.010 nan 8.280 nan 0.000 0.556 374 R N -0.161 120.243 120.500 -0.160 0.000 3.006 374 R HA 0.184 4.530 4.340 0.009 0.000 0.150 374 R C 1.118 177.386 176.300 -0.054 0.000 1.285 374 R CA -0.716 55.325 56.100 -0.097 0.000 0.813 374 R CB -0.837 29.422 30.300 -0.069 0.000 1.582 374 R HN 0.088 nan 8.270 nan 0.000 0.441 375 Y N 1.587 121.898 120.300 0.018 0.000 2.421 375 Y HA -0.037 4.518 4.550 0.009 0.000 0.292 375 Y C 0.734 176.656 175.900 0.037 0.000 1.136 375 Y CA 1.292 59.418 58.100 0.043 0.000 1.255 375 Y CB -0.328 38.194 38.460 0.103 0.000 0.991 375 Y HN 0.558 nan 8.280 nan 0.000 0.552 376 N N 0.844 119.629 118.700 0.142 0.000 2.705 376 N HA -0.221 4.525 4.740 0.009 0.000 0.255 376 N C 0.452 176.041 175.510 0.133 0.000 1.008 376 N CA 0.332 53.446 53.050 0.106 0.000 0.742 376 N CB -1.010 37.523 38.487 0.077 0.000 0.906 376 N HN 0.610 nan 8.380 nan 0.000 0.541 377 I N -2.987 117.674 120.570 0.152 0.000 3.812 377 I HA 0.028 4.203 4.170 0.009 0.000 0.320 377 I C 1.627 177.840 176.117 0.160 0.000 1.276 377 I CA -0.446 60.944 61.300 0.150 0.000 1.164 377 I CB 0.007 38.099 38.000 0.154 0.000 1.009 377 I HN 0.107 nan 8.210 nan 0.000 0.431 378 L N 1.740 123.066 121.223 0.172 0.000 1.990 378 L HA -0.223 4.122 4.340 0.009 0.000 0.213 378 L C 2.619 179.702 176.870 0.354 0.000 1.072 378 L CA 2.130 57.109 54.840 0.231 0.000 0.755 378 L CB -0.986 41.173 42.059 0.167 0.000 0.889 378 L HN 0.482 nan 8.230 nan 0.000 0.432 379 E N -0.916 119.494 120.200 0.350 0.000 2.058 379 E HA -0.244 4.112 4.350 0.009 0.000 0.194 379 E C 1.766 178.410 176.600 0.073 0.000 0.997 379 E CA 1.463 57.995 56.400 0.220 0.000 0.801 379 E CB 0.034 29.807 29.700 0.123 0.000 0.746 379 E HN 0.503 nan 8.360 nan 0.000 0.450 380 D N 0.037 120.481 120.400 0.073 0.000 2.092 380 D HA -0.168 4.478 4.640 0.009 0.000 0.193 380 D C 2.101 178.404 176.300 0.006 0.000 0.994 380 D CA 1.291 55.300 54.000 0.016 0.000 0.828 380 D CB -0.382 40.434 40.800 0.028 0.000 0.963 380 D HN 0.133 nan 8.370 nan 0.000 0.450 381 V N 1.555 121.527 119.914 0.096 0.000 2.407 381 V HA -0.222 3.903 4.120 0.009 0.000 0.248 381 V C 2.556 178.737 176.094 0.146 0.000 1.055 381 V CA 1.732 64.136 62.300 0.174 0.000 1.049 381 V CB -0.784 31.228 31.823 0.315 0.000 0.662 381 V HN 0.185 nan 8.190 nan 0.000 0.455 382 A N -0.286 122.633 122.820 0.166 0.000 1.902 382 A HA -0.160 4.165 4.320 0.009 0.000 0.217 382 A C 2.408 179.971 177.584 -0.036 0.000 1.181 382 A CA 2.008 54.134 52.037 0.148 0.000 0.623 382 A CB -0.689 18.486 19.000 0.292 0.000 0.818 382 A HN 0.324 nan 8.150 nan 0.000 0.443 383 V N -0.806 119.039 119.914 -0.115 0.000 2.332 383 V HA -0.332 3.793 4.120 0.009 0.000 0.248 383 V C 2.640 178.586 176.094 -0.247 0.000 1.055 383 V CA 2.109 64.299 62.300 -0.183 0.000 1.038 383 V CB -0.965 30.753 31.823 -0.174 0.000 0.651 383 V HN 0.722 nan 8.190 nan 0.000 0.450 384 C N -0.555 118.536 119.300 -0.348 0.000 2.422 384 C HA -0.140 4.325 4.460 0.009 0.000 0.279 384 C C 2.621 177.209 174.990 -0.670 0.000 1.305 384 C CA 1.030 59.602 59.018 -0.743 0.000 1.757 384 C CB -0.978 25.987 27.740 -1.291 0.000 1.962 384 C HN 0.534 nan 8.230 nan 0.000 0.499 385 M N -0.182 119.271 119.600 -0.245 0.000 2.618 385 M HA 0.034 4.519 4.480 0.009 0.000 0.240 385 M C 0.501 176.784 176.300 -0.027 0.000 1.123 385 M CA 0.878 56.188 55.300 0.018 0.000 1.060 385 M CB -0.384 32.324 32.600 0.181 0.000 1.535 385 M HN 0.267 nan 8.290 nan 0.000 0.507 386 D N 1.314 121.649 120.400 -0.108 0.000 2.716 386 D HA -0.143 4.502 4.640 0.009 0.000 0.239 386 D C -0.944 175.324 176.300 -0.053 0.000 1.125 386 D CA 0.402 54.346 54.000 -0.094 0.000 0.681 386 D CB -0.845 39.908 40.800 -0.078 0.000 1.070 386 D HN 0.299 nan 8.370 nan 0.000 0.432 387 L N -0.290 120.904 121.223 -0.048 0.000 2.416 387 L HA 0.430 4.775 4.340 0.009 0.000 0.262 387 L C 0.896 177.701 176.870 -0.108 0.000 1.093 387 L CA -0.888 53.943 54.840 -0.015 0.000 0.801 387 L CB 0.675 42.789 42.059 0.091 0.000 1.191 387 L HN -0.001 nan 8.230 nan 0.000 0.459 388 D N 0.303 120.660 120.400 -0.072 0.000 2.470 388 D HA 0.023 4.668 4.640 0.009 0.000 0.226 388 D C 1.041 177.141 176.300 -0.333 0.000 1.196 388 D CA -0.228 53.691 54.000 -0.136 0.000 0.979 388 D CB 0.654 41.434 40.800 -0.033 0.000 1.059 388 D HN 0.588 nan 8.370 nan 0.000 0.515 389 T N 0.497 114.647 114.554 -0.673 0.000 3.194 389 T HA 0.047 4.402 4.350 0.009 0.000 0.251 389 T C 1.349 175.671 174.700 -0.629 0.000 1.132 389 T CA 0.137 61.379 62.100 -1.431 0.000 1.028 389 T CB -0.069 67.903 68.868 -1.493 0.000 0.976 389 T HN 0.263 nan 8.240 nan 0.000 0.535 390 R N 0.289 120.624 120.500 -0.275 0.000 2.300 390 R HA 0.252 4.597 4.340 0.009 0.000 0.199 390 R C 0.640 176.959 176.300 0.031 0.000 0.920 390 R CA 0.218 56.263 56.100 -0.092 0.000 1.046 390 R CB 0.381 30.632 30.300 -0.081 0.000 0.984 390 R HN 0.307 nan 8.270 nan 0.000 0.493 391 T N -0.782 113.833 114.554 0.101 0.000 2.952 391 T HA 0.104 4.460 4.350 0.009 0.000 0.305 391 T C 1.111 175.988 174.700 0.295 0.000 1.064 391 T CA -0.585 61.613 62.100 0.163 0.000 1.008 391 T CB 1.716 70.642 68.868 0.096 0.000 1.078 391 T HN 0.204 nan 8.240 nan 0.000 0.459 392 T N 1.016 115.699 114.554 0.215 0.000 2.788 392 T HA -0.114 4.241 4.350 0.009 0.000 0.268 392 T C 2.118 176.878 174.700 0.100 0.000 1.044 392 T CA 1.756 63.943 62.100 0.145 0.000 1.139 392 T CB -0.717 68.188 68.868 0.062 0.000 0.867 392 T HN 0.701 nan 8.240 nan 0.000 0.454 393 S N 2.051 117.808 115.700 0.095 0.000 2.595 393 S HA -0.056 4.419 4.470 0.009 0.000 0.235 393 S C 2.072 176.724 174.600 0.086 0.000 0.974 393 S CA 0.813 59.055 58.200 0.069 0.000 0.942 393 S CB -0.914 62.319 63.200 0.054 0.000 0.766 393 S HN 0.781 nan 8.310 nan 0.000 0.536 394 S N 1.530 117.318 115.700 0.147 0.000 2.527 394 S HA 0.250 4.725 4.470 0.009 0.000 0.222 394 S C 0.947 175.636 174.600 0.147 0.000 0.985 394 S CA 0.184 58.477 58.200 0.155 0.000 0.921 394 S CB -0.929 62.395 63.200 0.207 0.000 0.772 394 S HN 0.631 nan 8.310 nan 0.000 0.529 395 L N 0.958 122.244 121.223 0.104 0.000 3.717 395 L HA -0.166 4.180 4.340 0.009 0.000 0.411 395 L C 1.575 178.473 176.870 0.048 0.000 1.233 395 L CA 0.653 55.499 54.840 0.010 0.000 0.917 395 L CB -2.447 39.621 42.059 0.015 0.000 1.902 395 L HN 0.739 nan 8.230 nan 0.000 0.894 396 W N -0.050 121.262 121.300 0.020 0.000 2.374 396 W HA -0.121 4.544 4.660 0.009 0.000 0.288 396 W C 1.695 178.233 176.519 0.031 0.000 1.218 396 W CA 1.254 58.614 57.345 0.025 0.000 1.245 396 W CB -0.652 28.820 29.460 0.020 0.000 1.126 396 W HN 0.284 nan 8.180 nan 0.000 0.545 397 K N 1.077 121.109 120.400 -0.614 0.000 2.057 397 K HA -0.146 4.179 4.320 0.009 0.000 0.206 397 K C 1.528 178.004 176.600 -0.208 0.000 1.050 397 K CA 2.273 58.206 56.287 -0.590 0.000 0.935 397 K CB -0.324 31.670 32.500 -0.844 0.000 0.715 397 K HN 0.041 nan 8.250 nan 0.000 0.439 398 D N 0.752 121.052 120.400 -0.167 0.000 2.117 398 D HA -0.126 4.519 4.640 0.009 0.000 0.197 398 D C 1.669 177.967 176.300 -0.005 0.000 0.987 398 D CA 1.211 55.165 54.000 -0.077 0.000 0.829 398 D CB 0.035 40.796 40.800 -0.064 0.000 0.961 398 D HN 0.111 nan 8.370 nan 0.000 0.460 399 K N 0.530 120.955 120.400 0.041 0.000 2.026 399 K HA -0.026 4.300 4.320 0.009 0.000 0.208 399 K C 2.236 178.904 176.600 0.114 0.000 1.048 399 K CA 1.148 57.486 56.287 0.086 0.000 0.929 399 K CB -0.181 32.390 32.500 0.120 0.000 0.713 399 K HN 0.088 nan 8.250 nan 0.000 0.439 400 A N 1.614 124.523 122.820 0.149 0.000 1.877 400 A HA -0.134 4.191 4.320 0.009 0.000 0.216 400 A C 2.400 180.070 177.584 0.142 0.000 1.186 400 A CA 1.907 54.059 52.037 0.193 0.000 0.620 400 A CB -0.787 18.364 19.000 0.252 0.000 0.822 400 A HN 0.342 nan 8.150 nan 0.000 0.443 401 A N -0.591 122.270 122.820 0.070 0.000 1.940 401 A HA -0.028 4.297 4.320 0.009 0.000 0.219 401 A C 2.234 179.829 177.584 0.018 0.000 1.176 401 A CA 1.875 53.925 52.037 0.023 0.000 0.631 401 A CB -0.923 18.053 19.000 -0.041 0.000 0.814 401 A HN 0.401 nan 8.150 nan 0.000 0.446 402 V N 0.248 120.181 119.914 0.031 0.000 2.295 402 V HA -0.200 3.925 4.120 0.009 0.000 0.246 402 V C 2.541 178.666 176.094 0.051 0.000 1.049 402 V CA 2.106 64.428 62.300 0.036 0.000 1.024 402 V CB -0.684 31.169 31.823 0.051 0.000 0.648 402 V HN 0.518 nan 8.190 nan 0.000 0.447 403 E N -0.042 120.214 120.200 0.093 0.000 2.150 403 E HA -0.110 4.245 4.350 0.009 0.000 0.193 403 E C 2.131 178.755 176.600 0.041 0.000 0.985 403 E CA 1.128 57.606 56.400 0.129 0.000 0.814 403 E CB -0.272 29.508 29.700 0.133 0.000 0.752 403 E HN 0.582 nan 8.360 nan 0.000 0.466 404 I N 1.479 122.099 120.570 0.084 0.000 2.315 404 I HA -0.237 3.938 4.170 0.009 0.000 0.248 404 I C 2.116 178.208 176.117 -0.041 0.000 1.117 404 I CA 0.792 62.143 61.300 0.085 0.000 1.404 404 I CB -0.303 37.813 38.000 0.194 0.000 1.071 404 I HN 0.078 nan 8.210 nan 0.000 0.419 405 N N 0.748 119.420 118.700 -0.046 0.000 2.188 405 N HA -0.155 4.590 4.740 0.009 0.000 0.184 405 N C 1.925 177.381 175.510 -0.089 0.000 1.018 405 N CA 1.086 54.088 53.050 -0.080 0.000 0.858 405 N CB -0.081 38.367 38.487 -0.065 0.000 0.989 405 N HN 0.201 nan 8.380 nan 0.000 0.426 406 L N 1.615 122.779 121.223 -0.098 0.000 2.083 406 L HA -0.033 4.312 4.340 0.009 0.000 0.209 406 L C 2.242 178.968 176.870 -0.241 0.000 1.083 406 L CA 1.361 56.106 54.840 -0.158 0.000 0.752 406 L CB -0.770 41.168 42.059 -0.201 0.000 0.899 406 L HN 0.039 nan 8.230 nan 0.000 0.433 407 A N -1.160 121.460 122.820 -0.333 0.000 1.902 407 A HA -0.151 4.175 4.320 0.009 0.000 0.217 407 A C 2.270 179.786 177.584 -0.113 0.000 1.181 407 A CA 1.991 53.801 52.037 -0.378 0.000 0.623 407 A CB -1.094 17.404 19.000 -0.837 0.000 0.818 407 A HN 0.297 nan 8.150 nan 0.000 0.443 408 V N 0.003 119.867 119.914 -0.085 0.000 2.295 408 V HA -0.267 3.859 4.120 0.009 0.000 0.246 408 V C 2.583 178.685 176.094 0.013 0.000 1.049 408 V CA 2.031 64.321 62.300 -0.017 0.000 1.024 408 V CB -0.752 30.973 31.823 -0.162 0.000 0.648 408 V HN 0.570 nan 8.190 nan 0.000 0.447 409 L N -0.606 120.589 121.223 -0.048 0.000 2.017 409 L HA -0.217 4.129 4.340 0.009 0.000 0.208 409 L C 2.624 179.522 176.870 0.047 0.000 1.073 409 L CA 2.144 56.974 54.840 -0.016 0.000 0.745 409 L CB -0.793 41.248 42.059 -0.029 0.000 0.894 409 L HN 0.482 nan 8.230 nan 0.000 0.432 410 H N -0.374 118.650 119.070 -0.076 0.000 2.319 410 H HA -0.147 4.415 4.556 0.009 0.000 0.299 410 H C 2.333 177.648 175.328 -0.022 0.000 1.092 410 H CA 2.021 58.016 56.048 -0.088 0.000 1.302 410 H CB -0.014 29.628 29.762 -0.199 0.000 1.373 410 H HN 0.140 nan 8.280 nan 0.000 0.497 411 S N -0.525 115.106 115.700 -0.115 0.000 2.368 411 S HA -0.108 4.367 4.470 0.009 0.000 0.225 411 S C 1.992 176.554 174.600 -0.064 0.000 1.030 411 S CA 1.224 59.345 58.200 -0.132 0.000 0.999 411 S CB -0.471 62.753 63.200 0.041 0.000 0.844 411 S HN 0.391 nan 8.310 nan 0.000 0.459 412 F N 1.873 121.757 119.950 -0.111 0.000 2.186 412 F HA -0.109 4.423 4.527 0.008 0.000 0.299 412 F C 2.742 178.488 175.800 -0.091 0.000 1.090 412 F CA 1.002 58.963 58.000 -0.066 0.000 1.307 412 F CB -0.225 38.761 39.000 -0.023 0.000 1.019 412 F HN 0.207 nan 8.300 nan 0.000 0.489 413 Q N -0.368 119.464 119.800 0.053 0.000 2.119 413 Q HA -0.202 4.143 4.340 0.009 0.000 0.201 413 Q C 2.150 178.091 176.000 -0.097 0.000 0.972 413 Q CA 1.253 57.041 55.803 -0.025 0.000 0.847 413 Q CB -0.313 28.405 28.738 -0.032 0.000 0.903 413 Q HN 0.364 nan 8.270 nan 0.000 0.433 414 L N 0.400 121.506 121.223 -0.194 0.000 2.056 414 L HA -0.067 4.278 4.340 0.009 0.000 0.207 414 L C 1.943 178.728 176.870 -0.142 0.000 1.078 414 L CA 1.903 56.620 54.840 -0.207 0.000 0.749 414 L CB -0.500 41.357 42.059 -0.337 0.000 0.901 414 L HN 0.101 nan 8.230 nan 0.000 0.433 415 A N -1.243 121.485 122.820 -0.153 0.000 2.235 415 A HA -0.007 4.318 4.320 0.009 0.000 0.208 415 A C 0.980 178.497 177.584 -0.111 0.000 1.172 415 A CA 0.282 52.233 52.037 -0.142 0.000 0.786 415 A CB -0.599 18.276 19.000 -0.207 0.000 0.804 415 A HN 0.497 nan 8.150 nan 0.000 0.479 416 K N -1.086 119.262 120.400 -0.086 0.000 3.150 416 K HA -0.127 4.199 4.320 0.009 0.000 0.267 416 K C -0.835 175.736 176.600 -0.048 0.000 1.028 416 K CA 0.631 56.882 56.287 -0.059 0.000 0.753 416 K CB -2.036 30.430 32.500 -0.057 0.000 1.288 416 K HN 0.247 nan 8.250 nan 0.000 0.473 417 V N 1.054 120.950 119.914 -0.029 0.000 2.495 417 V HA 0.164 4.289 4.120 0.009 0.000 0.298 417 V C 0.772 176.954 176.094 0.147 0.000 1.031 417 V CA -0.752 61.563 62.300 0.025 0.000 0.871 417 V CB 2.001 33.769 31.823 -0.091 0.000 0.988 417 V HN 0.274 nan 8.190 nan 0.000 0.432 418 T N 6.152 120.754 114.554 0.079 0.000 2.934 418 T HA 0.420 4.776 4.350 0.009 0.000 0.306 418 T C -0.228 174.544 174.700 0.119 0.000 1.042 418 T CA 0.869 62.946 62.100 -0.039 0.000 1.145 418 T CB 0.138 68.846 68.868 -0.267 0.000 0.982 418 T HN 0.601 nan 8.240 nan 0.000 0.544 419 I N 1.807 122.372 120.570 -0.009 0.000 2.897 419 I HA 0.563 4.739 4.170 0.009 0.000 0.299 419 I C -1.814 174.320 176.117 0.027 0.000 1.527 419 I CA -0.880 60.455 61.300 0.059 0.000 0.979 419 I CB 1.778 39.742 38.000 -0.061 0.000 1.360 419 I HN 0.460 nan 8.210 nan 0.000 0.495 420 V N 4.975 124.959 119.914 0.117 0.000 2.623 420 V HA 0.455 4.580 4.120 0.009 0.000 0.304 420 V C -1.104 175.034 176.094 0.074 0.000 1.054 420 V CA -0.258 62.112 62.300 0.117 0.000 0.882 420 V CB 2.133 34.108 31.823 0.253 0.000 1.002 420 V HN 0.881 nan 8.190 nan 0.000 0.424 421 D N 4.215 124.634 120.400 0.032 0.000 2.371 421 D HA 0.123 4.768 4.640 0.009 0.000 0.242 421 D C 1.296 177.584 176.300 -0.020 0.000 1.218 421 D CA 0.277 54.278 54.000 0.001 0.000 0.945 421 D CB 0.391 41.160 40.800 -0.052 0.000 1.137 421 D HN 0.745 nan 8.370 nan 0.000 0.464 422 H N -0.518 118.461 119.070 -0.152 0.000 2.521 422 H HA -0.110 4.451 4.556 0.008 0.000 0.286 422 H C 0.908 176.128 175.328 -0.181 0.000 1.034 422 H CA 1.163 57.096 56.048 -0.191 0.000 1.278 422 H CB -0.478 29.118 29.762 -0.277 0.000 1.386 422 H HN 0.506 nan 8.280 nan 0.000 0.567 423 H N 1.178 120.048 119.070 -0.332 0.000 2.317 423 H HA 0.185 4.746 4.556 0.008 0.000 0.304 423 H C 2.528 177.831 175.328 -0.042 0.000 1.067 423 H CA 1.314 57.256 56.048 -0.177 0.000 1.352 423 H CB -0.353 29.274 29.762 -0.225 0.000 1.398 423 H HN 0.486 nan 8.280 nan 0.000 0.510 424 A N 1.455 124.328 122.820 0.088 0.000 1.902 424 A HA -0.101 4.224 4.320 0.009 0.000 0.217 424 A C 2.675 180.328 177.584 0.115 0.000 1.181 424 A CA 1.855 53.947 52.037 0.091 0.000 0.623 424 A CB -0.841 18.203 19.000 0.073 0.000 0.818 424 A HN 0.432 nan 8.150 nan 0.000 0.443 425 A N -0.244 122.643 122.820 0.112 0.000 1.902 425 A HA -0.110 4.215 4.320 0.009 0.000 0.217 425 A C 2.453 180.133 177.584 0.161 0.000 1.181 425 A CA 2.588 54.711 52.037 0.143 0.000 0.623 425 A CB -1.393 17.680 19.000 0.123 0.000 0.818 425 A HN 0.760 nan 8.150 nan 0.000 0.443 426 T N -2.774 111.860 114.554 0.134 0.000 2.857 426 T HA -0.066 4.289 4.350 0.009 0.000 0.266 426 T C 1.693 176.525 174.700 0.221 0.000 1.048 426 T CA 1.328 63.532 62.100 0.174 0.000 1.139 426 T CB -0.709 68.233 68.868 0.123 0.000 0.874 426 T HN 0.047 nan 8.240 nan 0.000 0.455 427 V N 2.883 122.899 119.914 0.171 0.000 2.343 427 V HA -0.176 3.950 4.120 0.009 0.000 0.247 427 V C 3.224 179.409 176.094 0.152 0.000 1.051 427 V CA 2.119 64.509 62.300 0.149 0.000 1.036 427 V CB -0.962 30.930 31.823 0.114 0.000 0.654 427 V HN 0.805 nan 8.190 nan 0.000 0.451 428 S N -0.238 115.562 115.700 0.167 0.000 2.402 428 S HA -0.215 4.260 4.470 0.009 0.000 0.229 428 S C 1.951 176.676 174.600 0.207 0.000 1.021 428 S CA 1.497 59.797 58.200 0.165 0.000 0.974 428 S CB -0.723 62.579 63.200 0.171 0.000 0.800 428 S HN 0.519 nan 8.310 nan 0.000 0.484 429 F N 2.122 122.137 119.950 0.108 0.000 2.234 429 F HA 0.133 4.665 4.527 0.008 0.000 0.299 429 F C 2.187 178.077 175.800 0.151 0.000 1.087 429 F CA 0.997 59.075 58.000 0.130 0.000 1.340 429 F CB -0.317 38.739 39.000 0.092 0.000 1.031 429 F HN 0.099 nan 8.300 nan 0.000 0.500 430 M N 0.094 119.754 119.600 0.099 0.000 2.132 430 M HA -0.155 4.330 4.480 0.009 0.000 0.263 430 M C 2.210 178.476 176.300 -0.057 0.000 1.065 430 M CA 1.442 56.743 55.300 0.002 0.000 1.122 430 M CB -1.234 31.422 32.600 0.094 0.000 1.365 430 M HN 0.065 nan 8.290 nan 0.000 0.411 431 K N -0.130 120.273 120.400 0.006 0.000 2.057 431 K HA -0.212 4.113 4.320 0.009 0.000 0.207 431 K C 1.967 178.549 176.600 -0.030 0.000 1.049 431 K CA 1.800 58.089 56.287 0.003 0.000 0.931 431 K CB -0.659 31.868 32.500 0.045 0.000 0.714 431 K HN 0.380 nan 8.250 nan 0.000 0.440 432 H N 0.077 119.062 119.070 -0.142 0.000 2.353 432 H HA -0.019 4.542 4.556 0.008 0.000 0.300 432 H C 1.708 176.881 175.328 -0.259 0.000 1.090 432 H CA 2.239 58.181 56.048 -0.178 0.000 1.327 432 H CB -0.208 29.424 29.762 -0.215 0.000 1.383 432 H HN 0.179 nan 8.280 nan 0.000 0.508 433 L N -0.031 120.896 121.223 -0.493 0.000 2.042 433 L HA -0.191 4.154 4.340 0.009 0.000 0.210 433 L C 2.089 178.795 176.870 -0.273 0.000 1.076 433 L CA 1.503 56.078 54.840 -0.443 0.000 0.749 433 L CB -0.415 41.436 42.059 -0.346 0.000 0.893 433 L HN 0.352 nan 8.230 nan 0.000 0.432 434 D N -0.127 120.161 120.400 -0.186 0.000 2.097 434 D HA -0.157 4.488 4.640 0.009 0.000 0.195 434 D C 1.979 178.206 176.300 -0.122 0.000 0.989 434 D CA 1.014 54.944 54.000 -0.115 0.000 0.827 434 D CB -0.344 40.415 40.800 -0.068 0.000 0.966 434 D HN 0.250 nan 8.370 nan 0.000 0.456 435 N N 0.991 119.607 118.700 -0.141 0.000 2.043 435 N HA -0.135 4.610 4.740 0.009 0.000 0.193 435 N C 1.615 177.040 175.510 -0.142 0.000 1.037 435 N CA 0.852 53.837 53.050 -0.107 0.000 0.851 435 N CB -0.277 38.173 38.487 -0.062 0.000 1.027 435 N HN 0.260 nan 8.380 nan 0.000 0.422 436 E N 0.653 120.685 120.200 -0.280 0.000 2.150 436 E HA -0.171 4.184 4.350 0.009 0.000 0.193 436 E C 1.884 178.389 176.600 -0.158 0.000 0.985 436 E CA 0.583 56.828 56.400 -0.258 0.000 0.814 436 E CB -0.134 29.309 29.700 -0.429 0.000 0.752 436 E HN 0.342 nan 8.360 nan 0.000 0.466 437 Q N 1.513 121.227 119.800 -0.144 0.000 2.061 437 Q HA -0.143 4.203 4.340 0.009 0.000 0.204 437 Q C 1.807 177.764 176.000 -0.073 0.000 0.984 437 Q CA 1.780 57.528 55.803 -0.092 0.000 0.846 437 Q CB 0.014 28.705 28.738 -0.077 0.000 0.902 437 Q HN 0.154 nan 8.270 nan 0.000 0.421 438 K N -0.788 119.572 120.400 -0.068 0.000 2.062 438 K HA 0.018 4.344 4.320 0.009 0.000 0.205 438 K C 2.055 178.628 176.600 -0.044 0.000 1.051 438 K CA 1.030 57.288 56.287 -0.049 0.000 0.941 438 K CB -0.207 32.270 32.500 -0.039 0.000 0.719 438 K HN 0.236 nan 8.250 nan 0.000 0.440 439 A N 1.341 124.134 122.820 -0.045 0.000 1.929 439 A HA -0.079 4.246 4.320 0.009 0.000 0.216 439 A C 1.752 179.313 177.584 -0.038 0.000 1.176 439 A CA 1.202 53.223 52.037 -0.026 0.000 0.628 439 A CB -0.031 18.971 19.000 0.003 0.000 0.816 439 A HN 0.189 nan 8.150 nan 0.000 0.444 440 R N -2.792 117.672 120.500 -0.060 0.000 2.541 440 R HA 0.267 4.612 4.340 0.009 0.000 0.332 440 R C 0.791 177.051 176.300 -0.067 0.000 0.951 440 R CA 0.485 56.550 56.100 -0.058 0.000 1.136 440 R CB 0.685 30.948 30.300 -0.062 0.000 1.449 440 R HN 0.689 nan 8.270 nan 0.000 0.531 441 G N 0.930 109.685 108.800 -0.075 0.000 2.137 441 G HA2 -0.161 3.805 3.960 0.009 0.000 0.237 441 G HA3 -0.161 3.805 3.960 0.009 0.000 0.237 441 G C 0.231 175.094 174.900 -0.062 0.000 1.002 441 G CA 0.059 45.105 45.100 -0.090 0.000 0.702 441 G HN 0.740 nan 8.290 nan 0.000 0.515 442 G N -2.403 106.375 108.800 -0.037 0.000 2.368 442 G HA2 0.524 4.490 3.960 0.009 0.000 0.302 442 G HA3 0.524 4.490 3.960 0.009 0.000 0.302 442 G C -0.743 174.169 174.900 0.020 0.000 1.329 442 G CA 0.439 45.551 45.100 0.020 0.000 0.935 442 G HN 1.997 nan 8.290 nan 0.000 0.590 443 C N 1.999 121.340 119.300 0.068 0.000 2.817 443 C HA 0.723 5.188 4.460 0.009 0.000 0.385 443 C C -2.539 172.430 174.990 -0.034 0.000 1.050 443 C CA -1.088 57.930 59.018 -0.001 0.000 1.245 443 C CB 1.293 28.979 27.740 -0.091 0.000 1.706 443 C HN 0.741 nan 8.230 nan 0.000 0.488 444 P HA 0.424 nan 4.420 nan 0.000 0.271 444 P C -0.710 176.475 177.300 -0.192 0.000 1.220 444 P CA 0.497 63.204 63.100 -0.655 0.000 0.768 444 P CB 1.181 32.198 31.700 -1.139 0.000 0.848 445 A N 2.561 125.336 122.820 -0.076 0.000 2.488 445 A HA 0.386 4.712 4.320 0.009 0.000 0.298 445 A C -1.002 176.626 177.584 0.074 0.000 1.044 445 A CA -0.576 51.503 52.037 0.071 0.000 0.693 445 A CB 1.270 20.431 19.000 0.267 0.000 1.272 445 A HN 0.456 nan 8.150 nan 0.000 0.402 446 D N 2.073 122.506 120.400 0.056 0.000 2.456 446 D HA 0.110 4.755 4.640 0.009 0.000 0.219 446 D C 0.844 177.266 176.300 0.204 0.000 1.126 446 D CA -0.430 53.640 54.000 0.116 0.000 0.890 446 D CB 0.306 41.128 40.800 0.036 0.000 1.025 446 D HN 0.605 nan 8.370 nan 0.000 0.511 447 W N 4.237 125.578 121.300 0.068 0.000 2.304 447 W HA -0.332 4.334 4.660 0.009 0.000 0.315 447 W C 1.988 178.546 176.519 0.065 0.000 1.233 447 W CA 2.467 59.842 57.345 0.049 0.000 1.261 447 W CB -0.010 29.457 29.460 0.012 0.000 1.150 447 W HN 0.564 nan 8.180 nan 0.000 0.494 448 A N -1.475 121.606 122.820 0.436 0.000 2.024 448 A HA -0.202 4.123 4.320 0.009 0.000 0.220 448 A C 1.499 179.150 177.584 0.111 0.000 1.164 448 A CA 1.646 53.868 52.037 0.309 0.000 0.643 448 A CB -1.249 17.966 19.000 0.359 0.000 0.806 448 A HN 0.535 nan 8.150 nan 0.000 0.451 449 W N -0.931 120.338 121.300 -0.051 0.000 2.704 449 W HA 0.199 4.864 4.660 0.008 0.000 0.266 449 W C 1.860 178.267 176.519 -0.188 0.000 1.266 449 W CA -0.079 57.213 57.345 -0.088 0.000 1.377 449 W CB 0.037 29.471 29.460 -0.044 0.000 1.082 449 W HN 0.137 nan 8.180 nan 0.000 0.608 450 I N -0.166 120.363 120.570 -0.068 0.000 2.233 450 I HA -0.079 4.096 4.170 0.009 0.000 0.243 450 I C 0.698 176.615 176.117 -0.333 0.000 1.093 450 I CA 0.824 61.956 61.300 -0.281 0.000 1.380 450 I CB -1.501 36.266 38.000 -0.390 0.000 1.067 450 I HN -0.428 nan 8.210 nan 0.000 0.413 451 V N 3.980 123.605 119.914 -0.481 0.000 2.529 451 V HA 0.062 4.188 4.120 0.009 0.000 0.292 451 V C -1.936 173.984 176.094 -0.290 0.000 1.028 451 V CA -1.002 61.018 62.300 -0.467 0.000 1.074 451 V CB -0.018 31.311 31.823 -0.823 0.000 0.958 451 V HN 0.143 nan 8.190 nan 0.000 0.481 452 P HA 0.125 nan 4.420 nan 0.000 0.269 452 P C -1.719 175.452 177.300 -0.215 0.000 1.215 452 P CA -1.171 61.806 63.100 -0.204 0.000 0.780 452 P CB 0.037 31.624 31.700 -0.188 0.000 0.898 453 P HA -0.053 nan 4.420 nan 0.000 0.228 453 P C 0.214 177.396 177.300 -0.197 0.000 1.151 453 P CA 1.294 64.271 63.100 -0.205 0.000 0.770 453 P CB -0.009 31.562 31.700 -0.215 0.000 0.786 454 I N -7.007 113.407 120.570 -0.261 0.000 2.934 454 I HA 0.445 4.620 4.170 0.009 0.000 0.306 454 I C -0.016 175.976 176.117 -0.208 0.000 1.110 454 I CA -1.312 59.849 61.300 -0.232 0.000 1.019 454 I CB 1.915 39.752 38.000 -0.272 0.000 1.227 454 I HN -0.412 nan 8.210 nan 0.000 0.434 455 S N 1.995 117.630 115.700 -0.109 0.000 3.521 455 S HA -0.206 4.270 4.470 0.009 0.000 0.362 455 S C 1.392 175.961 174.600 -0.052 0.000 1.044 455 S CA 0.824 59.005 58.200 -0.031 0.000 1.091 455 S CB -1.733 61.532 63.200 0.108 0.000 0.908 455 S HN 1.253 nan 8.310 nan 0.000 0.473 456 G N 2.246 110.981 108.800 -0.108 0.000 2.599 456 G HA2 -0.334 3.631 3.960 0.009 0.000 0.219 456 G HA3 -0.334 3.631 3.960 0.009 0.000 0.219 456 G C 1.409 176.155 174.900 -0.257 0.000 1.193 456 G CA 1.517 46.553 45.100 -0.107 0.000 0.778 456 G HN 1.292 nan 8.290 nan 0.000 0.589 457 S N 0.176 115.472 115.700 -0.672 0.000 2.607 457 S HA 0.230 4.706 4.470 0.009 0.000 0.224 457 S C 1.992 176.503 174.600 -0.147 0.000 0.969 457 S CA 0.358 58.032 58.200 -0.877 0.000 0.927 457 S CB -0.116 62.389 63.200 -1.159 0.000 0.772 457 S HN 0.325 nan 8.310 nan 0.000 0.533 458 L N 1.887 123.089 121.223 -0.036 0.000 2.509 458 L HA 0.155 4.500 4.340 0.009 0.000 0.222 458 L C 1.248 178.236 176.870 0.195 0.000 1.123 458 L CA 0.436 55.342 54.840 0.111 0.000 0.856 458 L CB -0.786 41.365 42.059 0.152 0.000 0.985 458 L HN 0.470 nan 8.230 nan 0.000 0.456 459 T N -4.128 110.526 114.554 0.167 0.000 2.929 459 T HA 0.308 4.663 4.350 0.009 0.000 0.284 459 T C -1.653 173.185 174.700 0.229 0.000 1.014 459 T CA -1.984 60.236 62.100 0.201 0.000 1.051 459 T CB 1.897 70.847 68.868 0.137 0.000 1.028 459 T HN -0.195 nan 8.240 nan 0.000 0.485 460 P HA -0.093 nan 4.420 nan 0.000 0.218 460 P C 1.834 179.307 177.300 0.288 0.000 1.149 460 P CA 1.114 64.398 63.100 0.307 0.000 0.817 460 P CB -0.355 31.485 31.700 0.232 0.000 0.785 461 V N -3.490 116.547 119.914 0.206 0.000 2.490 461 V HA -0.211 3.914 4.120 0.009 0.000 0.250 461 V C 2.395 178.562 176.094 0.121 0.000 1.061 461 V CA 1.303 63.702 62.300 0.164 0.000 1.064 461 V CB -2.291 29.566 31.823 0.057 0.000 0.670 461 V HN -0.114 nan 8.190 nan 0.000 0.461 462 F N 1.897 121.780 119.950 -0.111 0.000 2.154 462 F HA -0.193 4.339 4.527 0.008 0.000 0.301 462 F C 2.459 178.339 175.800 0.133 0.000 1.087 462 F CA 2.306 60.261 58.000 -0.076 0.000 1.274 462 F CB -0.274 38.542 39.000 -0.308 0.000 1.009 462 F HN 0.288 nan 8.300 nan 0.000 0.485 463 H N -0.909 118.485 119.070 0.540 0.000 2.533 463 H HA 0.112 4.673 4.556 0.009 0.000 0.271 463 H C 0.247 175.816 175.328 0.401 0.000 1.000 463 H CA 0.278 56.595 56.048 0.450 0.000 1.149 463 H CB -0.326 29.681 29.762 0.408 0.000 1.375 463 H HN 0.272 nan 8.280 nan 0.000 0.582 464 Q N 1.872 121.935 119.800 0.438 0.000 2.325 464 Q HA 0.177 4.522 4.340 0.009 0.000 0.262 464 Q C -0.578 175.656 176.000 0.390 0.000 0.968 464 Q CA -0.466 55.557 55.803 0.366 0.000 0.877 464 Q CB 0.936 29.854 28.738 0.301 0.000 1.253 464 Q HN 0.230 nan 8.270 nan 0.000 0.448 465 E N 3.372 123.751 120.200 0.299 0.000 2.390 465 E HA 0.299 4.655 4.350 0.009 0.000 0.261 465 E C -0.480 176.259 176.600 0.232 0.000 1.076 465 E CA 0.207 56.741 56.400 0.223 0.000 0.905 465 E CB 0.870 30.678 29.700 0.179 0.000 0.984 465 E HN 0.595 nan 8.360 nan 0.000 0.427 466 M N 1.241 120.977 119.600 0.228 0.000 2.550 466 M HA 0.374 4.860 4.480 0.009 0.000 0.292 466 M C -1.241 175.168 176.300 0.180 0.000 1.221 466 M CA -0.995 54.444 55.300 0.231 0.000 0.873 466 M CB 2.440 35.231 32.600 0.318 0.000 1.727 466 M HN 0.154 nan 8.290 nan 0.000 0.459 467 V N 1.541 121.566 119.914 0.185 0.000 2.417 467 V HA 0.426 4.551 4.120 0.009 0.000 0.291 467 V C -0.658 175.536 176.094 0.166 0.000 1.024 467 V CA -0.705 61.731 62.300 0.227 0.000 0.861 467 V CB 1.617 33.642 31.823 0.336 0.000 0.985 467 V HN 0.878 nan 8.190 nan 0.000 0.436 468 N N 3.386 122.178 118.700 0.153 0.000 2.372 468 N HA 0.726 5.471 4.740 0.009 0.000 0.291 468 N C -1.656 173.924 175.510 0.116 0.000 1.024 468 N CA -0.431 52.618 53.050 -0.002 0.000 0.873 468 N CB 1.815 40.323 38.487 0.035 0.000 1.206 468 N HN 0.735 nan 8.380 nan 0.000 0.486 469 Y N 0.592 120.913 120.300 0.035 0.000 2.677 469 Y HA 0.479 5.034 4.550 0.009 0.000 0.334 469 Y C -1.496 174.409 175.900 0.008 0.000 1.196 469 Y CA -1.165 56.950 58.100 0.024 0.000 1.059 469 Y CB 0.670 39.149 38.460 0.032 0.000 1.315 469 Y HN 0.179 nan 8.280 nan 0.000 0.455 470 I N 3.374 124.052 120.570 0.181 0.000 2.321 470 I HA 0.455 4.630 4.170 0.009 0.000 0.291 470 I C -0.731 175.458 176.117 0.120 0.000 0.998 470 I CA -0.471 60.878 61.300 0.081 0.000 1.227 470 I CB 1.067 39.095 38.000 0.047 0.000 1.368 470 I HN 0.426 nan 8.210 nan 0.000 0.466 471 L N 5.012 126.273 121.223 0.064 0.000 2.341 471 L HA 0.608 4.953 4.340 0.009 0.000 0.267 471 L C -0.132 176.737 176.870 -0.002 0.000 1.009 471 L CA -0.552 54.325 54.840 0.061 0.000 0.819 471 L CB 2.132 44.232 42.059 0.068 0.000 1.323 471 L HN 0.530 nan 8.230 nan 0.000 0.425 472 S N 1.452 117.157 115.700 0.009 0.000 2.542 472 S HA 0.660 5.135 4.470 0.009 0.000 0.293 472 S C -2.629 171.979 174.600 0.012 0.000 1.089 472 S CA -1.451 56.738 58.200 -0.018 0.000 0.961 472 S CB 1.968 65.171 63.200 0.005 0.000 1.062 472 S HN 0.238 nan 8.310 nan 0.000 0.483 473 P HA 0.352 nan 4.420 nan 0.000 0.267 473 P C -1.245 175.918 177.300 -0.230 0.000 1.195 473 P CA 0.136 63.136 63.100 -0.168 0.000 0.773 473 P CB 0.421 31.975 31.700 -0.244 0.000 0.837 474 A N 1.504 124.145 122.820 -0.299 0.000 2.612 474 A HA 0.655 4.980 4.320 0.009 0.000 0.293 474 A C -1.654 175.693 177.584 -0.396 0.000 1.075 474 A CA -0.529 51.324 52.037 -0.307 0.000 0.680 474 A CB 0.747 19.657 19.000 -0.150 0.000 1.279 474 A HN 0.333 nan 8.150 nan 0.000 0.411 475 F N 1.182 121.033 119.950 -0.164 0.000 2.405 475 F HA 0.616 5.147 4.527 0.008 0.000 0.355 475 F C 0.972 176.659 175.800 -0.188 0.000 1.121 475 F CA 0.058 57.958 58.000 -0.167 0.000 1.112 475 F CB 1.637 40.483 39.000 -0.257 0.000 1.126 475 F HN 0.529 nan 8.300 nan 0.000 0.481 476 R N 1.943 122.464 120.500 0.034 0.000 2.854 476 R HA 0.469 4.814 4.340 0.009 0.000 0.271 476 R C -1.496 174.788 176.300 -0.028 0.000 0.996 476 R CA -1.227 54.835 56.100 -0.063 0.000 0.961 476 R CB 1.579 31.871 30.300 -0.012 0.000 1.182 476 R HN 0.398 nan 8.270 nan 0.000 0.479 477 Y N 1.506 121.825 120.300 0.032 0.000 2.336 477 Y HA 0.115 4.670 4.550 0.009 0.000 0.331 477 Y C 0.594 176.492 175.900 -0.003 0.000 1.211 477 Y CA 0.020 58.129 58.100 0.016 0.000 1.346 477 Y CB 0.858 39.316 38.460 -0.004 0.000 1.271 477 Y HN 0.439 nan 8.280 nan 0.000 0.538 478 Q N 2.299 122.192 119.800 0.156 0.000 2.421 478 Q HA 0.647 4.992 4.340 0.009 0.000 0.280 478 Q C -3.121 172.850 176.000 -0.049 0.000 1.085 478 Q CA -2.512 53.314 55.803 0.039 0.000 0.807 478 Q CB 2.236 30.990 28.738 0.027 0.000 1.405 478 Q HN 0.278 nan 8.270 nan 0.000 0.419 479 P HA 0.045 nan 4.420 nan 0.000 0.269 479 P C -0.931 176.157 177.300 -0.354 0.000 1.215 479 P CA -0.003 62.970 63.100 -0.212 0.000 0.780 479 P CB 0.421 32.010 31.700 -0.186 0.000 0.898 480 D N 3.134 123.183 120.400 -0.585 0.000 2.424 480 D HA 0.010 4.655 4.640 0.009 0.000 0.244 480 D C -1.044 174.666 176.300 -0.984 0.000 1.134 480 D CA -0.923 52.439 54.000 -1.064 0.000 0.881 480 D CB 0.423 40.052 40.800 -1.951 0.000 1.191 480 D HN 0.304 nan 8.370 nan 0.000 0.445 481 P HA -0.073 nan 4.420 nan 0.000 0.228 481 P C 0.181 177.154 177.300 -0.545 0.000 1.151 481 P CA 0.686 63.420 63.100 -0.611 0.000 0.770 481 P CB 0.110 31.482 31.700 -0.547 0.000 0.786 482 W N 0.000 120.902 121.300 -0.663 0.000 2.388 482 W HA 0.000 4.665 4.660 0.008 0.000 0.303 482 W CA 0.000 57.085 57.345 -0.433 0.000 1.226 482 W CB 0.000 29.149 29.460 -0.518 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535