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 3dry_1_D DATA FIRST_RESID 34 DATA SEQUENCE ALAQRPGSVS KWVRLNVGGT YFLTTRQTLc RDPKSFLYRL cQADPDLDSD DATA SEQUENCE KDETGAYLID RDPTYFGPVL NYLRHGKLVI NKDLAEEGVL EEAEFYNITS DATA SEQUENCE LIKLVKDKIR ERDSKTSQVP VKHVYRVLQC QEEELTQMVS TMSDGWKFEQ DATA SEQUENCE LVSIGSSXXX XXEDQAEFLC VVSKELH 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 34 A HA 0.000 nan 4.320 nan 0.000 0.244 34 A C 0.000 177.584 177.584 0.000 0.000 1.274 34 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 34 A CB 0.000 19.000 19.000 0.000 0.000 0.831 35 L N 0.936 122.159 121.223 0.000 0.000 3.569 35 L HA 0.753 5.092 4.340 -0.001 0.000 0.178 35 L C 1.780 178.651 176.870 0.001 0.000 1.286 35 L CA 0.812 55.653 54.840 0.001 0.000 0.952 35 L CB -0.007 42.053 42.059 0.001 0.000 1.540 35 L HN 1.010 nan 8.230 nan 0.000 0.661 36 A N -2.096 120.725 122.820 0.002 0.000 1.485 36 A HA 0.323 4.643 4.320 -0.001 0.000 0.211 36 A C 0.149 177.734 177.584 0.003 0.000 1.759 36 A CA 0.019 52.057 52.037 0.002 0.000 1.385 36 A CB 0.889 19.891 19.000 0.002 0.000 1.293 36 A HN 0.354 nan 8.150 nan 0.000 0.400 37 Q N -1.110 118.692 119.800 0.003 0.000 2.648 37 Q HA 0.471 4.810 4.340 -0.001 0.000 0.300 37 Q C -1.499 174.504 176.000 0.006 0.000 0.954 37 Q CA -0.846 54.959 55.803 0.004 0.000 0.757 37 Q CB 2.278 31.019 28.738 0.005 0.000 1.482 37 Q HN 0.399 nan 8.270 nan 0.000 0.437 38 R N 2.023 122.527 120.500 0.007 0.000 2.216 38 R HA 0.272 4.611 4.340 -0.001 0.000 0.332 38 R C -1.979 174.329 176.300 0.014 0.000 1.056 38 R CA -1.258 54.847 56.100 0.009 0.000 0.901 38 R CB 0.576 30.881 30.300 0.008 0.000 1.039 38 R HN 0.248 nan 8.270 nan 0.000 0.456 39 P HA 0.061 nan 4.420 nan 0.000 0.232 39 P C -0.133 177.182 177.300 0.026 0.000 1.606 39 P CA 0.619 63.729 63.100 0.017 0.000 1.105 39 P CB 0.119 31.825 31.700 0.011 0.000 1.919 40 G N -0.321 108.501 108.800 0.036 0.000 2.731 40 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.219 40 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.219 40 G C 0.749 175.679 174.900 0.050 0.000 0.989 40 G CA 0.267 45.399 45.100 0.053 0.000 0.871 40 G HN 0.451 nan 8.290 nan 0.000 0.591 41 S N 0.010 115.731 115.700 0.035 0.000 2.370 41 S HA 0.090 4.560 4.470 -0.001 0.000 0.214 41 S C 1.893 176.512 174.600 0.031 0.000 1.033 41 S CA 1.589 59.805 58.200 0.027 0.000 0.941 41 S CB -0.439 62.769 63.200 0.014 0.000 0.886 41 S HN 1.409 nan 8.310 nan 0.000 0.521 42 V N 2.172 122.100 119.914 0.025 0.000 2.032 42 V HA 0.381 4.500 4.120 -0.001 0.000 0.233 42 V C -0.063 176.047 176.094 0.027 0.000 1.578 42 V CA -0.214 62.097 62.300 0.019 0.000 1.560 42 V CB -1.502 30.328 31.823 0.012 0.000 1.556 42 V HN 0.309 nan 8.190 nan 0.000 0.496 43 S N 1.995 117.718 115.700 0.039 0.000 2.537 43 S HA 0.443 4.913 4.470 -0.001 0.000 0.301 43 S C 0.853 175.456 174.600 0.005 0.000 1.092 43 S CA -0.754 57.486 58.200 0.065 0.000 1.048 43 S CB 2.038 65.320 63.200 0.136 0.000 1.053 43 S HN 0.818 nan 8.310 nan 0.000 0.501 44 K N 1.500 121.847 120.400 -0.089 0.000 2.365 44 K HA 0.047 4.367 4.320 -0.001 0.000 0.197 44 K C -0.671 175.727 176.600 -0.336 0.000 1.042 44 K CA 0.390 56.504 56.287 -0.289 0.000 0.987 44 K CB 0.196 32.396 32.500 -0.501 0.000 0.779 44 K HN 0.579 nan 8.250 nan 0.000 0.484 45 W N 0.981 122.299 121.300 0.031 0.000 2.365 45 W HA 0.328 4.987 4.660 -0.002 0.000 0.316 45 W C -0.879 175.680 176.519 0.067 0.000 1.164 45 W CA -0.937 56.434 57.345 0.044 0.000 1.204 45 W CB 1.519 31.000 29.460 0.034 0.000 1.213 45 W HN -0.353 nan 8.180 nan 0.000 0.539 46 V N 4.298 124.429 119.914 0.362 0.000 2.482 46 V HA 0.395 4.514 4.120 -0.001 0.000 0.295 46 V C -0.240 176.044 176.094 0.317 0.000 1.026 46 V CA -1.442 61.034 62.300 0.293 0.000 0.856 46 V CB 1.191 33.151 31.823 0.228 0.000 1.001 46 V HN 0.462 nan 8.190 nan 0.000 0.424 47 R N 4.646 125.322 120.500 0.294 0.000 2.298 47 R HA 0.650 4.990 4.340 -0.001 0.000 0.310 47 R C -0.769 175.750 176.300 0.365 0.000 1.068 47 R CA -0.182 56.099 56.100 0.301 0.000 0.957 47 R CB 0.741 31.174 30.300 0.221 0.000 1.003 47 R HN 0.599 nan 8.270 nan 0.000 0.454 48 L N 2.160 123.618 121.223 0.392 0.000 2.331 48 L HA 0.367 4.706 4.340 -0.001 0.000 0.275 48 L C 0.336 177.414 176.870 0.346 0.000 1.022 48 L CA -0.862 54.183 54.840 0.342 0.000 0.812 48 L CB 1.467 43.678 42.059 0.253 0.000 1.257 48 L HN 0.589 nan 8.230 nan 0.000 0.435 49 N N 2.206 121.025 118.700 0.198 0.000 3.170 49 N HA 0.149 4.888 4.740 -0.001 0.000 0.305 49 N C -0.895 174.598 175.510 -0.029 0.000 1.499 49 N CA -0.294 52.748 53.050 -0.014 0.000 1.110 49 N CB 0.437 38.851 38.487 -0.121 0.000 1.390 49 N HN 0.305 nan 8.380 nan 0.000 0.508 50 V N 0.855 120.774 119.914 0.009 0.000 2.485 50 V HA 0.202 4.321 4.120 -0.001 0.000 0.287 50 V C 1.739 177.806 176.094 -0.045 0.000 1.022 50 V CA 0.213 62.439 62.300 -0.124 0.000 1.067 50 V CB 0.449 32.013 31.823 -0.431 0.000 0.967 50 V HN 0.648 nan 8.190 nan 0.000 0.479 51 G N 3.807 112.564 108.800 -0.073 0.000 2.291 51 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.287 51 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.287 51 G C 1.170 176.054 174.900 -0.026 0.000 0.998 51 G CA 1.059 46.132 45.100 -0.045 0.000 0.728 51 G HN 2.277 nan 8.290 nan 0.000 0.519 52 G N -2.786 105.979 108.800 -0.057 0.000 2.211 52 G HA2 0.146 4.105 3.960 -0.001 0.000 0.201 52 G HA3 0.146 4.105 3.960 -0.001 0.000 0.201 52 G C 0.424 175.267 174.900 -0.095 0.000 0.997 52 G CA 0.912 45.959 45.100 -0.088 0.000 0.652 52 G HN 2.361 nan 8.290 nan 0.000 0.500 53 T N -0.753 113.807 114.554 0.011 0.000 2.842 53 T HA 0.614 4.963 4.350 -0.001 0.000 0.308 53 T C -0.015 174.810 174.700 0.207 0.000 1.041 53 T CA -0.805 61.347 62.100 0.087 0.000 0.964 53 T CB 0.973 69.941 68.868 0.168 0.000 0.972 53 T HN 0.304 nan 8.240 nan 0.000 0.460 54 Y N 2.753 123.163 120.300 0.184 0.000 2.717 54 Y HA 0.297 4.846 4.550 -0.002 0.000 0.330 54 Y C 0.297 176.329 175.900 0.219 0.000 1.217 54 Y CA -0.203 58.033 58.100 0.227 0.000 1.506 54 Y CB 0.043 38.571 38.460 0.113 0.000 1.268 54 Y HN 0.594 nan 8.280 nan 0.000 0.561 55 F N 3.336 123.473 119.950 0.311 0.000 2.508 55 F HA 0.504 5.030 4.527 -0.001 0.000 0.325 55 F C -0.549 175.394 175.800 0.238 0.000 1.090 55 F CA -1.146 57.014 58.000 0.266 0.000 0.945 55 F CB 1.455 40.666 39.000 0.351 0.000 1.156 55 F HN 0.227 nan 8.300 nan 0.000 0.463 56 L N 2.245 123.659 121.223 0.319 0.000 2.346 56 L HA 0.804 5.143 4.340 -0.001 0.000 0.274 56 L C -0.356 176.703 176.870 0.315 0.000 1.007 56 L CA 0.006 55.005 54.840 0.265 0.000 0.818 56 L CB 1.945 44.066 42.059 0.105 0.000 1.284 56 L HN 0.688 nan 8.230 nan 0.000 0.424 57 T N 0.999 115.787 114.554 0.390 0.000 2.733 57 T HA 0.515 4.864 4.350 -0.001 0.000 0.312 57 T C -1.151 173.751 174.700 0.337 0.000 1.590 57 T CA 0.090 62.407 62.100 0.363 0.000 1.005 57 T CB 1.050 70.052 68.868 0.222 0.000 1.528 57 T HN 0.905 nan 8.240 nan 0.000 0.496 58 T N 0.464 115.065 114.554 0.078 0.000 2.907 58 T HA 0.474 4.823 4.350 -0.001 0.000 0.284 58 T C 1.323 175.948 174.700 -0.125 0.000 1.004 58 T CA -0.591 61.368 62.100 -0.235 0.000 1.063 58 T CB 1.468 70.023 68.868 -0.522 0.000 0.992 58 T HN 0.723 nan 8.240 nan 0.000 0.483 59 R N 0.894 121.306 120.500 -0.146 0.000 2.112 59 R HA -0.206 4.134 4.340 -0.001 0.000 0.242 59 R C 2.485 178.725 176.300 -0.101 0.000 1.137 59 R CA 2.233 58.275 56.100 -0.097 0.000 0.944 59 R CB -0.481 29.758 30.300 -0.102 0.000 0.857 59 R HN 0.920 nan 8.270 nan 0.000 0.435 60 Q N -0.583 119.141 119.800 -0.127 0.000 2.389 60 Q HA -0.184 4.156 4.340 -0.001 0.000 0.213 60 Q C 0.964 176.922 176.000 -0.069 0.000 0.989 60 Q CA 2.028 57.772 55.803 -0.098 0.000 0.891 60 Q CB 0.112 28.775 28.738 -0.124 0.000 0.923 60 Q HN 0.446 nan 8.270 nan 0.000 0.455 61 T N -0.125 114.389 114.554 -0.067 0.000 2.939 61 T HA 0.029 4.378 4.350 -0.001 0.000 0.254 61 T C 1.654 176.339 174.700 -0.026 0.000 1.041 61 T CA 0.539 62.611 62.100 -0.047 0.000 1.142 61 T CB -0.022 68.825 68.868 -0.034 0.000 0.874 61 T HN 0.214 nan 8.240 nan 0.000 0.452 62 L N 0.455 121.665 121.223 -0.021 0.000 2.291 62 L HA 0.054 4.394 4.340 -0.001 0.000 0.214 62 L C 2.195 179.090 176.870 0.041 0.000 1.120 62 L CA 0.479 55.314 54.840 -0.009 0.000 0.799 62 L CB -0.438 41.592 42.059 -0.048 0.000 0.925 62 L HN 0.322 nan 8.230 nan 0.000 0.446 63 c N -0.577 118.052 118.600 0.049 0.000 2.576 63 c HA 0.012 4.581 4.570 -0.001 0.000 0.267 63 c C 2.777 176.969 174.090 0.170 0.000 1.364 63 c CA -0.078 56.359 56.329 0.179 0.000 1.723 63 c CB -1.148 41.411 42.510 0.081 0.000 1.778 63 c HN 0.442 nan 8.230 nan 0.000 0.572 64 R N 1.021 121.564 120.500 0.073 0.000 2.159 64 R HA -0.122 4.217 4.340 -0.001 0.000 0.237 64 R C -0.092 176.229 176.300 0.035 0.000 1.131 64 R CA 1.321 57.440 56.100 0.032 0.000 0.982 64 R CB -0.039 30.251 30.300 -0.016 0.000 0.868 64 R HN 0.374 nan 8.270 nan 0.000 0.453 65 D N -1.014 119.414 120.400 0.046 0.000 2.440 65 D HA 0.199 4.839 4.640 -0.001 0.000 0.252 65 D C -2.083 174.107 176.300 -0.184 0.000 1.180 65 D CA -2.393 51.593 54.000 -0.024 0.000 0.894 65 D CB 1.922 42.745 40.800 0.040 0.000 1.111 65 D HN -0.114 nan 8.370 nan 0.000 0.544 66 P HA -0.144 nan 4.420 nan 0.000 0.219 66 P C 0.899 177.663 177.300 -0.893 0.000 1.144 66 P CA 1.113 63.411 63.100 -1.338 0.000 0.806 66 P CB 0.377 31.568 31.700 -0.849 0.000 0.771 67 K N -0.580 119.600 120.400 -0.367 0.000 2.305 67 K HA 0.047 4.366 4.320 -0.001 0.000 0.199 67 K C 1.242 177.805 176.600 -0.062 0.000 1.047 67 K CA 0.356 56.538 56.287 -0.176 0.000 0.976 67 K CB -0.262 32.175 32.500 -0.104 0.000 0.765 67 K HN 0.214 nan 8.250 nan 0.000 0.474 68 S N 0.387 116.076 115.700 -0.018 0.000 2.584 68 S HA -0.020 4.449 4.470 -0.001 0.000 0.270 68 S C 0.985 175.680 174.600 0.158 0.000 1.346 68 S CA -0.679 57.579 58.200 0.096 0.000 1.018 68 S CB 0.454 63.729 63.200 0.125 0.000 0.899 68 S HN 0.254 nan 8.310 nan 0.000 0.542 69 F N 2.442 122.422 119.950 0.049 0.000 2.250 69 F HA -0.045 4.481 4.527 -0.001 0.000 0.301 69 F C 1.389 177.236 175.800 0.078 0.000 1.077 69 F CA 1.507 59.526 58.000 0.032 0.000 1.348 69 F CB -0.515 38.461 39.000 -0.041 0.000 1.040 69 F HN 0.599 nan 8.300 nan 0.000 0.509 70 L N -1.448 119.724 121.223 -0.085 0.000 2.095 70 L HA -0.173 4.167 4.340 -0.001 0.000 0.204 70 L C 2.213 178.960 176.870 -0.204 0.000 1.080 70 L CA 1.116 55.809 54.840 -0.245 0.000 0.759 70 L CB -1.349 40.660 42.059 -0.083 0.000 0.914 70 L HN 0.088 nan 8.230 nan 0.000 0.439 71 Y N 1.459 121.655 120.300 -0.174 0.000 2.265 71 Y HA -0.365 4.184 4.550 -0.001 0.000 0.280 71 Y C 2.623 178.421 175.900 -0.169 0.000 1.222 71 Y CA 1.597 59.617 58.100 -0.134 0.000 1.226 71 Y CB -0.189 38.227 38.460 -0.074 0.000 0.968 71 Y HN 0.076 nan 8.280 nan 0.000 0.540 72 R N -1.099 119.265 120.500 -0.227 0.000 2.075 72 R HA -0.078 4.261 4.340 -0.001 0.000 0.226 72 R C 1.994 178.086 176.300 -0.347 0.000 1.114 72 R CA 1.457 57.389 56.100 -0.279 0.000 0.972 72 R CB -0.512 29.644 30.300 -0.240 0.000 0.869 72 R HN 0.318 nan 8.270 nan 0.000 0.437 73 L N 0.412 121.329 121.223 -0.510 0.000 2.141 73 L HA -0.142 4.198 4.340 -0.001 0.000 0.209 73 L C 2.687 179.334 176.870 -0.372 0.000 1.094 73 L CA 1.128 55.549 54.840 -0.699 0.000 0.763 73 L CB -0.858 40.488 42.059 -1.188 0.000 0.908 73 L HN 0.263 nan 8.230 nan 0.000 0.437 74 c N 0.114 118.528 118.600 -0.309 0.000 2.376 74 c HA -0.235 4.334 4.570 -0.001 0.000 0.275 74 c C 2.521 176.484 174.090 -0.211 0.000 1.200 74 c CA 1.166 57.360 56.329 -0.224 0.000 1.756 74 c CB -0.673 41.686 42.510 -0.252 0.000 2.050 74 c HN 0.563 nan 8.230 nan 0.000 0.460 75 Q N -0.035 119.592 119.800 -0.287 0.000 2.247 75 Q HA 0.328 4.667 4.340 -0.001 0.000 0.205 75 Q C 0.744 176.675 176.000 -0.116 0.000 0.896 75 Q CA 0.634 56.295 55.803 -0.235 0.000 0.950 75 Q CB -0.175 28.357 28.738 -0.343 0.000 1.054 75 Q HN 0.769 nan 8.270 nan 0.000 0.482 76 A N 2.432 125.222 122.820 -0.050 0.000 2.251 76 A HA -0.190 4.129 4.320 -0.001 0.000 0.283 76 A C -0.124 177.482 177.584 0.038 0.000 1.415 76 A CA 0.780 52.853 52.037 0.060 0.000 0.742 76 A CB -1.479 17.549 19.000 0.048 0.000 1.151 76 A HN 0.495 nan 8.150 nan 0.000 0.354 77 D N 0.947 121.364 120.400 0.029 0.000 2.345 77 D HA 0.320 4.959 4.640 -0.001 0.000 0.247 77 D C -1.047 175.289 176.300 0.059 0.000 1.108 77 D CA -1.155 52.855 54.000 0.017 0.000 0.894 77 D CB 0.947 41.738 40.800 -0.015 0.000 1.203 77 D HN 0.215 nan 8.370 nan 0.000 0.430 78 P HA 0.009 nan 4.420 nan 0.000 0.221 78 P C 0.133 177.465 177.300 0.054 0.000 1.155 78 P CA 0.771 63.897 63.100 0.044 0.000 0.812 78 P CB 0.254 31.971 31.700 0.028 0.000 0.801 79 D N -0.940 119.493 120.400 0.054 0.000 2.378 79 D HA 0.007 4.646 4.640 -0.001 0.000 0.227 79 D C 1.166 177.521 176.300 0.092 0.000 1.012 79 D CA 0.624 54.662 54.000 0.063 0.000 0.905 79 D CB -0.394 40.440 40.800 0.057 0.000 0.895 79 D HN 0.193 nan 8.370 nan 0.000 0.532 80 L N -0.185 121.106 121.223 0.114 0.000 2.858 80 L HA 0.142 4.481 4.340 -0.001 0.000 0.251 80 L C 0.651 177.627 176.870 0.178 0.000 1.149 80 L CA -0.005 54.939 54.840 0.173 0.000 0.955 80 L CB 0.621 42.806 42.059 0.210 0.000 1.289 80 L HN -0.165 nan 8.230 nan 0.000 0.542 81 D N -0.073 120.392 120.400 0.109 0.000 2.392 81 D HA -0.088 4.551 4.640 -0.001 0.000 0.228 81 D C 1.838 178.158 176.300 0.033 0.000 1.003 81 D CA 0.849 54.879 54.000 0.050 0.000 0.917 81 D CB 0.252 41.069 40.800 0.028 0.000 0.890 81 D HN 0.280 nan 8.370 nan 0.000 0.532 82 S N -1.290 114.446 115.700 0.061 0.000 2.559 82 S HA 0.064 4.534 4.470 -0.001 0.000 0.226 82 S C 0.752 175.394 174.600 0.069 0.000 1.000 82 S CA -0.453 57.778 58.200 0.051 0.000 0.948 82 S CB 0.487 63.717 63.200 0.049 0.000 0.870 82 S HN -0.160 nan 8.310 nan 0.000 0.497 83 D N 1.568 122.033 120.400 0.109 0.000 2.368 83 D HA 0.328 4.967 4.640 -0.001 0.000 0.218 83 D C -0.033 176.346 176.300 0.132 0.000 1.112 83 D CA 0.074 54.157 54.000 0.138 0.000 0.834 83 D CB 0.409 41.332 40.800 0.205 0.000 0.953 83 D HN 0.444 nan 8.370 nan 0.000 0.505 84 K N 0.880 121.307 120.400 0.044 0.000 2.087 84 K HA 0.280 4.600 4.320 -0.001 0.000 0.255 84 K C 0.083 176.686 176.600 0.004 0.000 0.988 84 K CA -0.698 55.563 56.287 -0.043 0.000 0.915 84 K CB 1.135 33.514 32.500 -0.202 0.000 1.043 84 K HN -0.021 nan 8.250 nan 0.000 0.457 85 D N -0.666 119.744 120.400 0.017 0.000 2.595 85 D HA 0.052 4.691 4.640 -0.001 0.000 0.268 85 D C 0.582 176.901 176.300 0.032 0.000 1.181 85 D CA -0.489 53.537 54.000 0.043 0.000 1.085 85 D CB 0.315 41.166 40.800 0.084 0.000 1.186 85 D HN 0.378 nan 8.370 nan 0.000 0.621 86 E N -1.589 118.638 120.200 0.045 0.000 2.265 86 E HA -0.023 4.326 4.350 -0.001 0.000 0.196 86 E C 0.235 176.849 176.600 0.024 0.000 0.996 86 E CA 1.256 57.675 56.400 0.031 0.000 0.832 86 E CB -0.095 29.627 29.700 0.036 0.000 0.756 86 E HN 0.538 nan 8.360 nan 0.000 0.491 87 T N -4.044 110.534 114.554 0.040 0.000 3.514 87 T HA 0.507 4.856 4.350 -0.001 0.000 0.259 87 T C 0.975 175.687 174.700 0.021 0.000 1.466 87 T CA -0.189 61.922 62.100 0.018 0.000 1.562 87 T CB 0.473 69.341 68.868 -0.000 0.000 0.924 87 T HN 0.160 nan 8.240 nan 0.000 0.678 88 G N 1.387 110.181 108.800 -0.010 0.000 2.284 88 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.268 88 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.268 88 G C 0.541 175.401 174.900 -0.066 0.000 0.980 88 G CA 0.110 45.176 45.100 -0.056 0.000 0.631 88 G HN 1.502 nan 8.290 nan 0.000 0.548 89 A N -0.293 122.559 122.820 0.054 0.000 2.363 89 A HA 0.678 4.998 4.320 -0.001 0.000 0.270 89 A C 0.097 177.746 177.584 0.108 0.000 1.121 89 A CA -0.429 51.699 52.037 0.153 0.000 0.800 89 A CB 0.331 19.533 19.000 0.337 0.000 1.052 89 A HN 0.495 nan 8.150 nan 0.000 0.493 90 Y N 0.935 121.308 120.300 0.121 0.000 2.379 90 Y HA 0.329 4.879 4.550 -0.001 0.000 0.337 90 Y C 0.289 176.245 175.900 0.094 0.000 1.238 90 Y CA 0.047 58.204 58.100 0.094 0.000 1.405 90 Y CB 0.532 39.038 38.460 0.075 0.000 1.310 90 Y HN 0.394 nan 8.280 nan 0.000 0.569 91 L N 3.731 125.110 121.223 0.261 0.000 2.309 91 L HA 0.492 4.831 4.340 -0.001 0.000 0.282 91 L C -0.491 176.474 176.870 0.159 0.000 1.036 91 L CA -0.955 53.977 54.840 0.153 0.000 0.806 91 L CB 0.958 43.081 42.059 0.106 0.000 1.220 91 L HN 0.452 nan 8.230 nan 0.000 0.429 92 I N 1.785 122.403 120.570 0.081 0.000 2.512 92 I HA 0.176 4.346 4.170 -0.001 0.000 0.287 92 I C -0.601 175.482 176.117 -0.055 0.000 1.069 92 I CA -0.598 60.740 61.300 0.064 0.000 1.056 92 I CB 2.236 40.282 38.000 0.077 0.000 1.229 92 I HN 0.447 nan 8.210 nan 0.000 0.429 93 D N 7.234 127.574 120.400 -0.099 0.000 2.608 93 D HA 0.189 4.828 4.640 -0.001 0.000 0.224 93 D C -0.231 175.893 176.300 -0.294 0.000 1.123 93 D CA 0.187 54.090 54.000 -0.162 0.000 1.030 93 D CB 0.168 40.881 40.800 -0.144 0.000 1.093 93 D HN 0.268 nan 8.370 nan 0.000 0.497 94 R N 0.956 121.299 120.500 -0.262 0.000 2.795 94 R HA 0.289 4.628 4.340 -0.001 0.000 0.268 94 R C -1.098 175.121 176.300 -0.134 0.000 1.041 94 R CA -0.874 55.051 56.100 -0.291 0.000 0.927 94 R CB 0.293 30.331 30.300 -0.438 0.000 1.235 94 R HN 0.122 nan 8.270 nan 0.000 0.463 95 D N 2.527 122.892 120.400 -0.059 0.000 2.352 95 D HA 0.188 4.828 4.640 -0.001 0.000 0.245 95 D C -1.306 175.115 176.300 0.201 0.000 1.224 95 D CA -1.852 52.198 54.000 0.084 0.000 0.879 95 D CB 1.072 41.961 40.800 0.148 0.000 1.057 95 D HN 0.034 nan 8.370 nan 0.000 0.491 96 P HA -0.208 nan 4.420 nan 0.000 0.216 96 P C 1.314 178.850 177.300 0.392 0.000 1.157 96 P CA 1.230 64.538 63.100 0.346 0.000 0.880 96 P CB 0.014 31.992 31.700 0.463 0.000 0.791 97 T N -1.860 112.857 114.554 0.271 0.000 2.969 97 T HA -0.152 4.198 4.350 -0.001 0.000 0.271 97 T C 1.126 175.744 174.700 -0.137 0.000 1.127 97 T CA 1.211 63.362 62.100 0.085 0.000 1.102 97 T CB -0.628 68.249 68.868 0.016 0.000 0.855 97 T HN 0.186 nan 8.240 nan 0.000 0.536 98 Y N -1.816 118.586 120.300 0.170 0.000 2.535 98 Y HA 0.355 4.906 4.550 0.001 0.000 0.264 98 Y C 1.635 177.664 175.900 0.216 0.000 1.087 98 Y CA -1.086 57.108 58.100 0.156 0.000 1.285 98 Y CB -0.315 38.216 38.460 0.119 0.000 1.200 98 Y HN 0.203 nan 8.280 nan 0.000 0.514 99 F N 0.865 120.931 119.950 0.193 0.000 2.027 99 F HA -0.249 4.277 4.527 -0.000 0.000 0.297 99 F C 2.411 178.247 175.800 0.061 0.000 1.129 99 F CA 1.616 59.652 58.000 0.060 0.000 1.195 99 F CB -0.644 38.243 39.000 -0.187 0.000 0.960 99 F HN 0.148 nan 8.300 nan 0.000 0.485 100 G N 0.859 109.687 108.800 0.047 0.000 3.331 100 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.259 100 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.259 100 G C -0.769 174.074 174.900 -0.096 0.000 1.004 100 G CA 1.592 46.700 45.100 0.012 0.000 0.753 100 G HN 0.324 nan 8.290 nan 0.000 1.125 101 P HA -0.191 nan 4.420 nan 0.000 0.222 101 P C 2.232 179.525 177.300 -0.010 0.000 1.159 101 P CA 2.152 65.267 63.100 0.025 0.000 0.920 101 P CB -0.411 31.331 31.700 0.069 0.000 0.793 102 V N -0.698 119.198 119.914 -0.031 0.000 2.215 102 V HA -0.259 3.860 4.120 -0.001 0.000 0.249 102 V C 2.434 178.428 176.094 -0.168 0.000 1.054 102 V CA 2.213 64.485 62.300 -0.046 0.000 1.012 102 V CB -1.445 30.403 31.823 0.041 0.000 0.639 102 V HN 0.062 nan 8.190 nan 0.000 0.448 103 L N 0.285 121.212 121.223 -0.493 0.000 2.351 103 L HA -0.170 4.169 4.340 -0.001 0.000 0.220 103 L C 1.876 178.604 176.870 -0.237 0.000 1.127 103 L CA 1.801 56.380 54.840 -0.435 0.000 0.786 103 L CB -1.212 40.431 42.059 -0.692 0.000 0.914 103 L HN 0.398 nan 8.230 nan 0.000 0.443 104 N N -1.753 116.828 118.700 -0.199 0.000 2.124 104 N HA -0.244 4.496 4.740 -0.001 0.000 0.189 104 N C 1.760 176.960 175.510 -0.516 0.000 1.050 104 N CA 1.252 54.120 53.050 -0.304 0.000 0.848 104 N CB -0.395 38.034 38.487 -0.096 0.000 1.027 104 N HN 0.369 nan 8.380 nan 0.000 0.435 105 Y N 2.648 122.745 120.300 -0.338 0.000 2.136 105 Y HA -0.342 4.207 4.550 -0.002 0.000 0.271 105 Y C 2.039 177.801 175.900 -0.229 0.000 1.252 105 Y CA 1.630 59.594 58.100 -0.226 0.000 1.117 105 Y CB -0.639 37.771 38.460 -0.083 0.000 0.932 105 Y HN 0.095 nan 8.280 nan 0.000 0.512 106 L N -0.277 120.839 121.223 -0.178 0.000 1.943 106 L HA -0.298 4.041 4.340 -0.001 0.000 0.215 106 L C 2.668 179.351 176.870 -0.312 0.000 1.074 106 L CA 2.095 56.806 54.840 -0.215 0.000 0.759 106 L CB -0.789 41.233 42.059 -0.061 0.000 0.888 106 L HN 0.137 nan 8.230 nan 0.000 0.433 107 R N -0.718 119.607 120.500 -0.291 0.000 2.133 107 R HA -0.195 4.145 4.340 -0.001 0.000 0.247 107 R C 1.306 177.499 176.300 -0.178 0.000 1.151 107 R CA 1.850 57.821 56.100 -0.215 0.000 0.971 107 R CB -0.340 29.869 30.300 -0.153 0.000 0.866 107 R HN 0.705 nan 8.270 nan 0.000 0.447 108 H N -4.096 114.887 119.070 -0.145 0.000 3.109 108 H HA 0.230 4.785 4.556 -0.000 0.000 0.248 108 H C 0.523 175.733 175.328 -0.196 0.000 1.177 108 H CA 0.104 56.072 56.048 -0.135 0.000 0.977 108 H CB 0.236 29.956 29.762 -0.070 0.000 2.165 108 H HN 0.252 nan 8.280 nan 0.000 0.693 109 G N 2.245 110.825 108.800 -0.367 0.000 2.321 109 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.287 109 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.287 109 G C -0.276 174.597 174.900 -0.045 0.000 1.018 109 G CA 0.666 45.481 45.100 -0.474 0.000 0.855 109 G HN 0.432 nan 8.290 nan 0.000 0.507 110 K N -0.960 119.555 120.400 0.192 0.000 2.498 110 K HA 0.454 4.773 4.320 -0.001 0.000 0.254 110 K C -0.706 176.091 176.600 0.328 0.000 0.933 110 K CA -1.220 55.241 56.287 0.291 0.000 0.806 110 K CB 2.344 34.978 32.500 0.223 0.000 1.301 110 K HN 0.151 nan 8.250 nan 0.000 0.432 111 L N 3.545 124.915 121.223 0.246 0.000 2.325 111 L HA 0.179 4.518 4.340 -0.001 0.000 0.284 111 L C -0.532 176.427 176.870 0.148 0.000 1.089 111 L CA -0.320 54.633 54.840 0.187 0.000 0.836 111 L CB 0.502 42.636 42.059 0.124 0.000 1.184 111 L HN 0.370 nan 8.230 nan 0.000 0.444 112 V N 4.224 124.231 119.914 0.156 0.000 2.448 112 V HA 0.695 4.814 4.120 -0.001 0.000 0.295 112 V C -0.226 175.916 176.094 0.080 0.000 1.025 112 V CA -0.590 61.776 62.300 0.110 0.000 0.859 112 V CB 1.395 33.293 31.823 0.125 0.000 0.988 112 V HN 0.626 nan 8.190 nan 0.000 0.431 113 I N 3.865 124.469 120.570 0.057 0.000 2.769 113 I HA 0.490 4.660 4.170 -0.001 0.000 0.298 113 I C -0.216 175.916 176.117 0.024 0.000 1.128 113 I CA -0.737 60.586 61.300 0.039 0.000 1.031 113 I CB 2.477 40.503 38.000 0.044 0.000 1.235 113 I HN 0.687 nan 8.210 nan 0.000 0.423 114 N N 4.157 122.862 118.700 0.008 0.000 2.463 114 N HA 0.243 4.982 4.740 -0.001 0.000 0.270 114 N C 0.300 175.811 175.510 0.002 0.000 1.205 114 N CA -0.568 52.483 53.050 0.002 0.000 0.974 114 N CB 1.449 39.931 38.487 -0.008 0.000 1.197 114 N HN 0.510 nan 8.380 nan 0.000 0.504 115 K N 0.315 120.717 120.400 0.004 0.000 2.280 115 K HA -0.134 4.186 4.320 -0.001 0.000 0.202 115 K C 1.139 177.743 176.600 0.007 0.000 1.047 115 K CA 1.109 57.401 56.287 0.007 0.000 0.942 115 K CB 0.047 32.551 32.500 0.007 0.000 0.739 115 K HN 0.600 nan 8.250 nan 0.000 0.457 116 D N 0.067 120.466 120.400 -0.002 0.000 2.355 116 D HA -0.062 4.577 4.640 -0.001 0.000 0.206 116 D C 0.450 176.744 176.300 -0.011 0.000 1.010 116 D CA -0.053 53.945 54.000 -0.003 0.000 0.875 116 D CB 0.145 40.940 40.800 -0.008 0.000 0.966 116 D HN -0.078 nan 8.370 nan 0.000 0.512 117 L N 1.720 122.921 121.223 -0.037 0.000 2.461 117 L HA 0.290 4.630 4.340 -0.001 0.000 0.272 117 L C 0.571 177.460 176.870 0.033 0.000 1.197 117 L CA -0.328 54.465 54.840 -0.078 0.000 0.836 117 L CB 0.874 42.839 42.059 -0.157 0.000 1.105 117 L HN 0.061 nan 8.230 nan 0.000 0.477 118 A N 3.569 126.475 122.820 0.144 0.000 2.347 118 A HA 0.288 4.607 4.320 -0.001 0.000 0.287 118 A C 1.178 178.904 177.584 0.237 0.000 1.199 118 A CA -0.507 51.656 52.037 0.210 0.000 0.851 118 A CB -0.128 19.030 19.000 0.264 0.000 1.118 118 A HN 0.833 nan 8.150 nan 0.000 0.525 119 E N 2.705 122.986 120.200 0.135 0.000 2.160 119 E HA -0.266 4.083 4.350 -0.001 0.000 0.195 119 E C 0.731 177.397 176.600 0.111 0.000 0.991 119 E CA 1.714 58.185 56.400 0.117 0.000 0.810 119 E CB -0.154 29.590 29.700 0.072 0.000 0.742 119 E HN 0.797 nan 8.360 nan 0.000 0.466 120 E N 1.150 121.402 120.200 0.087 0.000 2.077 120 E HA -0.089 4.260 4.350 -0.001 0.000 0.193 120 E C 2.197 178.804 176.600 0.010 0.000 0.989 120 E CA 1.455 57.879 56.400 0.040 0.000 0.800 120 E CB -0.700 29.010 29.700 0.017 0.000 0.746 120 E HN 0.487 nan 8.360 nan 0.000 0.452 121 G N 0.086 108.885 108.800 -0.001 0.000 2.462 121 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.220 121 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.220 121 G C 1.725 176.572 174.900 -0.088 0.000 1.121 121 G CA 0.741 45.665 45.100 -0.293 0.000 0.758 121 G HN 0.202 nan 8.290 nan 0.000 0.559 122 V N 0.384 120.430 119.914 0.220 0.000 2.307 122 V HA -0.114 4.006 4.120 -0.001 0.000 0.245 122 V C 2.717 178.880 176.094 0.115 0.000 1.045 122 V CA 1.718 64.155 62.300 0.228 0.000 1.024 122 V CB -0.225 31.724 31.823 0.211 0.000 0.651 122 V HN 0.381 nan 8.190 nan 0.000 0.449 123 L N 0.114 121.377 121.223 0.066 0.000 2.021 123 L HA -0.219 4.120 4.340 -0.001 0.000 0.215 123 L C 2.502 179.389 176.870 0.029 0.000 1.074 123 L CA 2.105 56.967 54.840 0.036 0.000 0.760 123 L CB -0.780 41.289 42.059 0.017 0.000 0.889 123 L HN 0.328 nan 8.230 nan 0.000 0.433 124 E N -0.177 120.022 120.200 -0.002 0.000 2.038 124 E HA -0.210 4.139 4.350 -0.001 0.000 0.195 124 E C 2.108 178.726 176.600 0.030 0.000 1.000 124 E CA 1.434 57.822 56.400 -0.021 0.000 0.803 124 E CB -0.323 29.320 29.700 -0.095 0.000 0.750 124 E HN 0.587 nan 8.360 nan 0.000 0.448 125 E N 0.398 120.636 120.200 0.064 0.000 2.204 125 E HA -0.118 4.232 4.350 -0.001 0.000 0.195 125 E C 1.876 178.676 176.600 0.333 0.000 0.990 125 E CA 0.821 57.336 56.400 0.192 0.000 0.821 125 E CB -0.130 29.748 29.700 0.296 0.000 0.750 125 E HN 0.202 nan 8.360 nan 0.000 0.477 126 A N 1.358 124.306 122.820 0.213 0.000 1.872 126 A HA -0.162 4.158 4.320 -0.001 0.000 0.214 126 A C 2.027 179.696 177.584 0.141 0.000 1.187 126 A CA 1.171 53.315 52.037 0.178 0.000 0.614 126 A CB -0.314 18.728 19.000 0.070 0.000 0.826 126 A HN 0.158 nan 8.150 nan 0.000 0.442 127 E N -1.402 118.849 120.200 0.085 0.000 2.150 127 E HA -0.131 4.218 4.350 -0.001 0.000 0.193 127 E C 1.694 178.308 176.600 0.022 0.000 0.985 127 E CA 1.087 57.511 56.400 0.039 0.000 0.814 127 E CB -0.222 29.488 29.700 0.017 0.000 0.752 127 E HN 0.698 nan 8.360 nan 0.000 0.466 128 F N 0.172 120.040 119.950 -0.136 0.000 2.146 128 F HA -0.196 4.331 4.527 -0.001 0.000 0.298 128 F C 1.561 177.181 175.800 -0.301 0.000 1.096 128 F CA 1.423 59.248 58.000 -0.293 0.000 1.275 128 F CB -0.157 38.549 39.000 -0.490 0.000 1.008 128 F HN -0.010 nan 8.300 nan 0.000 0.480 129 Y N -0.007 120.298 120.300 0.007 0.000 2.475 129 Y HA -0.002 4.547 4.550 -0.001 0.000 0.289 129 Y C 1.414 177.312 175.900 -0.002 0.000 1.121 129 Y CA 0.881 58.992 58.100 0.020 0.000 1.257 129 Y CB -0.226 38.367 38.460 0.221 0.000 1.026 129 Y HN 0.202 nan 8.280 nan 0.000 0.555 130 N N 0.619 119.377 118.700 0.096 0.000 2.862 130 N HA -0.217 4.523 4.740 -0.001 0.000 0.248 130 N C -0.830 174.710 175.510 0.050 0.000 1.116 130 N CA 0.053 53.124 53.050 0.035 0.000 0.727 130 N CB -1.284 37.200 38.487 -0.005 0.000 1.083 130 N HN 0.278 nan 8.380 nan 0.000 0.555 131 I N 2.131 122.743 120.570 0.071 0.000 2.278 131 I HA 0.025 4.195 4.170 -0.001 0.000 0.296 131 I C 1.777 177.872 176.117 -0.038 0.000 1.121 131 I CA -0.204 61.112 61.300 0.026 0.000 1.267 131 I CB 0.678 38.692 38.000 0.024 0.000 1.447 131 I HN 0.116 nan 8.210 nan 0.000 0.509 132 T N 1.579 116.118 114.554 -0.025 0.000 2.708 132 T HA -0.174 4.175 4.350 -0.001 0.000 0.266 132 T C 1.984 176.651 174.700 -0.055 0.000 1.037 132 T CA 1.812 63.892 62.100 -0.033 0.000 1.146 132 T CB -0.196 68.660 68.868 -0.019 0.000 0.865 132 T HN 0.696 nan 8.240 nan 0.000 0.435 133 S N 2.296 117.966 115.700 -0.051 0.000 2.382 133 S HA -0.038 4.432 4.470 -0.001 0.000 0.228 133 S C 1.979 176.461 174.600 -0.195 0.000 1.027 133 S CA 0.649 58.821 58.200 -0.046 0.000 0.991 133 S CB -0.756 62.501 63.200 0.094 0.000 0.823 133 S HN 0.249 nan 8.310 nan 0.000 0.469 134 L N 2.132 123.089 121.223 -0.443 0.000 2.017 134 L HA 0.120 4.459 4.340 -0.001 0.000 0.208 134 L C 2.136 178.871 176.870 -0.224 0.000 1.073 134 L CA 1.462 55.968 54.840 -0.558 0.000 0.745 134 L CB -0.871 40.799 42.059 -0.648 0.000 0.894 134 L HN 0.319 nan 8.230 nan 0.000 0.432 135 I N -0.585 119.903 120.570 -0.137 0.000 2.567 135 I HA -0.243 3.926 4.170 -0.001 0.000 0.257 135 I C 2.397 178.486 176.117 -0.047 0.000 1.184 135 I CA 0.822 62.084 61.300 -0.064 0.000 1.451 135 I CB -0.429 37.549 38.000 -0.036 0.000 1.089 135 I HN 0.269 nan 8.210 nan 0.000 0.441 136 K N 1.038 121.407 120.400 -0.052 0.000 2.116 136 K HA -0.037 4.283 4.320 -0.001 0.000 0.203 136 K C 2.037 178.624 176.600 -0.022 0.000 1.052 136 K CA 1.170 57.440 56.287 -0.027 0.000 0.952 136 K CB -0.088 32.401 32.500 -0.018 0.000 0.729 136 K HN 0.301 nan 8.250 nan 0.000 0.446 137 L N 0.083 121.283 121.223 -0.038 0.000 2.023 137 L HA -0.139 4.200 4.340 -0.001 0.000 0.205 137 L C 2.424 179.289 176.870 -0.008 0.000 1.073 137 L CA 0.684 55.515 54.840 -0.016 0.000 0.745 137 L CB -0.542 41.506 42.059 -0.019 0.000 0.900 137 L HN -0.160 nan 8.230 nan 0.000 0.435 138 V N 0.108 120.008 119.914 -0.023 0.000 2.392 138 V HA -0.321 3.799 4.120 -0.001 0.000 0.249 138 V C 2.463 178.563 176.094 0.010 0.000 1.059 138 V CA 1.841 64.141 62.300 0.000 0.000 1.051 138 V CB -0.553 31.270 31.823 -0.000 0.000 0.658 138 V HN 0.425 nan 8.190 nan 0.000 0.455 139 K N -0.545 119.856 120.400 0.002 0.000 2.155 139 K HA -0.140 4.179 4.320 -0.001 0.000 0.203 139 K C 1.824 178.429 176.600 0.008 0.000 1.052 139 K CA 1.456 57.746 56.287 0.005 0.000 0.948 139 K CB -0.224 32.275 32.500 -0.001 0.000 0.728 139 K HN 0.411 nan 8.250 nan 0.000 0.448 140 D N 0.794 121.198 120.400 0.007 0.000 2.178 140 D HA -0.091 4.548 4.640 -0.001 0.000 0.202 140 D C 1.744 178.053 176.300 0.015 0.000 0.974 140 D CA 0.930 54.937 54.000 0.011 0.000 0.841 140 D CB 0.170 40.977 40.800 0.012 0.000 0.953 140 D HN -0.057 nan 8.370 nan 0.000 0.478 141 K N 0.203 120.614 120.400 0.019 0.000 2.148 141 K HA 0.007 4.326 4.320 -0.001 0.000 0.204 141 K C 2.096 178.709 176.600 0.022 0.000 1.050 141 K CA 0.380 56.681 56.287 0.023 0.000 0.942 141 K CB -0.156 32.362 32.500 0.030 0.000 0.724 141 K HN 0.282 nan 8.250 nan 0.000 0.446 142 I N 0.385 120.968 120.570 0.021 0.000 2.439 142 I HA -0.244 3.925 4.170 -0.001 0.000 0.251 142 I C 2.424 178.551 176.117 0.016 0.000 1.139 142 I CA 0.838 62.150 61.300 0.021 0.000 1.438 142 I CB -0.060 37.951 38.000 0.019 0.000 1.085 142 I HN 0.132 nan 8.210 nan 0.000 0.427 143 R N 0.591 121.099 120.500 0.013 0.000 2.070 143 R HA -0.211 4.129 4.340 -0.001 0.000 0.227 143 R C 2.183 178.491 176.300 0.012 0.000 1.147 143 R CA 1.640 57.747 56.100 0.011 0.000 0.924 143 R CB -0.689 29.616 30.300 0.009 0.000 0.827 143 R HN 0.309 nan 8.270 nan 0.000 0.431 144 E N 0.857 121.065 120.200 0.014 0.000 2.245 144 E HA -0.323 4.027 4.350 -0.001 0.000 0.217 144 E C 1.711 178.319 176.600 0.014 0.000 1.069 144 E CA 2.487 58.896 56.400 0.014 0.000 0.877 144 E CB 0.081 29.791 29.700 0.017 0.000 0.757 144 E HN 0.269 nan 8.360 nan 0.000 0.464 145 R N -0.266 120.244 120.500 0.015 0.000 2.225 145 R HA 0.143 4.482 4.340 -0.001 0.000 0.194 145 R C 1.655 177.964 176.300 0.013 0.000 0.957 145 R CA 1.072 57.181 56.100 0.015 0.000 1.042 145 R CB -0.481 29.829 30.300 0.018 0.000 1.004 145 R HN 0.056 nan 8.270 nan 0.000 0.509 146 D N 1.213 121.621 120.400 0.013 0.000 2.123 146 D HA -0.010 4.629 4.640 -0.001 0.000 0.200 146 D C 0.189 176.495 176.300 0.010 0.000 0.976 146 D CA 1.164 55.171 54.000 0.012 0.000 0.831 146 D CB -0.180 40.627 40.800 0.011 0.000 0.974 146 D HN 0.120 nan 8.370 nan 0.000 0.469 147 S N 0.670 116.375 115.700 0.009 0.000 4.117 147 S HA 0.106 4.575 4.470 -0.001 0.000 0.191 147 S C 0.811 175.416 174.600 0.008 0.000 1.308 147 S CA 0.218 58.423 58.200 0.008 0.000 0.906 147 S CB -0.161 63.044 63.200 0.008 0.000 1.565 147 S HN 0.153 nan 8.310 nan 0.000 0.439 148 K N 0.721 121.126 120.400 0.008 0.000 3.066 148 K HA 0.043 4.363 4.320 -0.001 0.000 0.168 148 K C -0.674 175.930 176.600 0.007 0.000 1.076 148 K CA 0.014 56.305 56.287 0.008 0.000 1.082 148 K CB 0.367 32.872 32.500 0.009 0.000 0.700 148 K HN 0.158 nan 8.250 nan 0.000 0.403 149 T N 0.734 115.293 114.554 0.007 0.000 3.842 149 T HA 0.014 4.364 4.350 -0.001 0.000 0.267 149 T C 0.281 174.985 174.700 0.006 0.000 1.173 149 T CA 0.329 62.433 62.100 0.007 0.000 1.142 149 T CB 0.400 69.272 68.868 0.007 0.000 1.191 149 T HN 0.007 nan 8.240 nan 0.000 0.895 150 S N 2.279 117.982 115.700 0.005 0.000 2.979 150 S HA 0.139 4.609 4.470 -0.001 0.000 0.210 150 S C 1.377 175.979 174.600 0.003 0.000 1.364 150 S CA -0.584 57.617 58.200 0.003 0.000 1.208 150 S CB -0.034 63.167 63.200 0.002 0.000 1.167 150 S HN 0.675 nan 8.310 nan 0.000 0.519 151 Q N 1.280 121.083 119.800 0.006 0.000 2.451 151 Q HA 0.032 4.371 4.340 -0.001 0.000 0.206 151 Q C 0.616 176.620 176.000 0.007 0.000 0.947 151 Q CA 0.280 56.088 55.803 0.008 0.000 0.937 151 Q CB -0.098 28.648 28.738 0.012 0.000 1.025 151 Q HN 0.755 nan 8.270 nan 0.000 0.511 152 V N 1.927 121.842 119.914 0.003 0.000 3.175 152 V HA -0.101 4.018 4.120 -0.001 0.000 0.269 152 V C -2.312 173.774 176.094 -0.012 0.000 1.013 152 V CA -0.678 61.620 62.300 -0.003 0.000 1.161 152 V CB -1.202 30.617 31.823 -0.006 0.000 0.746 152 V HN 0.183 nan 8.190 nan 0.000 0.424 153 P HA 0.121 nan 4.420 nan 0.000 0.250 153 P C 0.310 177.553 177.300 -0.096 0.000 1.198 153 P CA 0.153 63.240 63.100 -0.022 0.000 1.118 153 P CB 0.191 31.902 31.700 0.018 0.000 1.208 154 V N 4.862 124.708 119.914 -0.114 0.000 2.555 154 V HA -0.150 3.970 4.120 -0.001 0.000 0.299 154 V C 1.468 177.343 176.094 -0.366 0.000 1.012 154 V CA 0.674 62.878 62.300 -0.160 0.000 1.180 154 V CB -0.747 31.015 31.823 -0.102 0.000 0.887 154 V HN 0.453 nan 8.190 nan 0.000 0.476 155 K N 3.796 124.018 120.400 -0.298 0.000 2.234 155 K HA 0.290 4.610 4.320 -0.001 0.000 0.251 155 K C -0.443 175.811 176.600 -0.577 0.000 1.011 155 K CA -0.008 56.073 56.287 -0.343 0.000 0.889 155 K CB 0.244 32.654 32.500 -0.151 0.000 1.011 155 K HN 0.782 nan 8.250 nan 0.000 0.505 156 H N -0.889 118.113 119.070 -0.113 0.000 2.759 156 H HA 0.266 4.821 4.556 -0.002 0.000 0.354 156 H C -1.139 173.943 175.328 -0.410 0.000 1.074 156 H CA -1.145 54.710 56.048 -0.321 0.000 1.226 156 H CB 1.330 30.835 29.762 -0.429 0.000 1.648 156 H HN 0.263 nan 8.280 nan 0.000 0.529 157 V N 0.682 120.404 119.914 -0.320 0.000 2.617 157 V HA 0.501 4.620 4.120 -0.001 0.000 0.298 157 V C -0.767 175.115 176.094 -0.354 0.000 1.048 157 V CA -0.705 61.466 62.300 -0.214 0.000 0.964 157 V CB 0.619 32.377 31.823 -0.107 0.000 1.004 157 V HN 0.597 nan 8.190 nan 0.000 0.466 158 Y N 2.330 122.697 120.300 0.111 0.000 2.485 158 Y HA 0.830 5.379 4.550 -0.001 0.000 0.345 158 Y C 0.409 176.411 175.900 0.171 0.000 0.998 158 Y CA -0.900 57.282 58.100 0.136 0.000 1.059 158 Y CB 2.081 40.585 38.460 0.073 0.000 1.234 158 Y HN 0.539 nan 8.280 nan 0.000 0.461 159 R N 0.963 121.658 120.500 0.326 0.000 2.837 159 R HA 0.736 5.076 4.340 -0.001 0.000 0.271 159 R C -1.777 174.588 176.300 0.108 0.000 0.993 159 R CA -1.160 55.056 56.100 0.195 0.000 0.931 159 R CB 2.416 32.794 30.300 0.129 0.000 1.206 159 R HN 0.481 nan 8.270 nan 0.000 0.474 160 V N 3.755 123.701 119.914 0.054 0.000 2.340 160 V HA 0.364 4.483 4.120 -0.001 0.000 0.277 160 V C 0.148 176.245 176.094 0.005 0.000 1.017 160 V CA -0.640 61.676 62.300 0.027 0.000 0.820 160 V CB 1.128 32.968 31.823 0.028 0.000 1.028 160 V HN 0.488 nan 8.190 nan 0.000 0.436 161 L N 3.249 124.467 121.223 -0.007 0.000 2.439 161 L HA 0.636 4.976 4.340 -0.001 0.000 0.259 161 L C 0.121 177.003 176.870 0.021 0.000 1.129 161 L CA -0.162 54.669 54.840 -0.014 0.000 0.803 161 L CB 1.010 43.048 42.059 -0.036 0.000 1.161 161 L HN 0.633 nan 8.230 nan 0.000 0.462 162 Q N 1.600 121.413 119.800 0.022 0.000 2.263 162 Q HA 0.535 4.875 4.340 -0.001 0.000 0.266 162 Q C -1.662 174.367 176.000 0.048 0.000 1.002 162 Q CA -0.644 55.188 55.803 0.049 0.000 0.790 162 Q CB 1.992 30.752 28.738 0.036 0.000 1.272 162 Q HN 0.860 nan 8.270 nan 0.000 0.435 163 C N 1.071 120.418 119.300 0.079 0.000 3.086 163 C HA 0.601 5.061 4.460 -0.001 0.000 0.311 163 C C -0.185 174.865 174.990 0.101 0.000 1.260 163 C CA -0.876 58.177 59.018 0.059 0.000 1.426 163 C CB 1.517 29.269 27.740 0.020 0.000 1.826 163 C HN 0.919 nan 8.230 nan 0.000 0.474 164 Q N 0.977 120.821 119.800 0.074 0.000 2.471 164 Q HA 0.175 4.514 4.340 -0.001 0.000 0.223 164 Q C 1.456 177.492 176.000 0.060 0.000 1.045 164 Q CA 0.424 56.287 55.803 0.099 0.000 0.956 164 Q CB 1.038 29.813 28.738 0.062 0.000 1.249 164 Q HN 0.893 nan 8.270 nan 0.000 0.549 165 E N 0.901 121.159 120.200 0.096 0.000 2.108 165 E HA -0.365 3.984 4.350 -0.001 0.000 0.203 165 E C 1.441 178.013 176.600 -0.047 0.000 1.022 165 E CA 2.106 58.510 56.400 0.007 0.000 0.823 165 E CB -0.329 29.421 29.700 0.082 0.000 0.744 165 E HN 0.760 nan 8.360 nan 0.000 0.456 166 E N 1.778 121.970 120.200 -0.012 0.000 2.051 166 E HA -0.231 4.118 4.350 -0.001 0.000 0.192 166 E C 1.486 178.066 176.600 -0.034 0.000 0.991 166 E CA 1.472 57.860 56.400 -0.019 0.000 0.799 166 E CB -0.392 29.306 29.700 -0.005 0.000 0.748 166 E HN 0.610 nan 8.360 nan 0.000 0.449 167 E N 0.904 121.085 120.200 -0.032 0.000 2.411 167 E HA 0.084 4.433 4.350 -0.001 0.000 0.228 167 E C 1.016 177.582 176.600 -0.056 0.000 1.169 167 E CA -0.201 56.177 56.400 -0.036 0.000 1.421 167 E CB 0.543 30.231 29.700 -0.021 0.000 1.333 167 E HN 0.246 nan 8.360 nan 0.000 0.434 168 L N 0.501 121.668 121.223 -0.092 0.000 2.408 168 L HA 0.113 4.453 4.340 -0.001 0.000 0.215 168 L C 1.811 178.606 176.870 -0.124 0.000 1.081 168 L CA 1.381 56.136 54.840 -0.141 0.000 0.840 168 L CB -0.045 41.846 42.059 -0.281 0.000 1.002 168 L HN 0.079 nan 8.230 nan 0.000 0.468 169 T N -1.004 113.487 114.554 -0.105 0.000 2.904 169 T HA -0.159 4.190 4.350 -0.001 0.000 0.267 169 T C 1.637 176.296 174.700 -0.068 0.000 1.059 169 T CA 1.329 63.374 62.100 -0.091 0.000 1.137 169 T CB -0.056 68.767 68.868 -0.076 0.000 0.879 169 T HN 0.393 nan 8.240 nan 0.000 0.467 170 Q N 0.921 120.688 119.800 -0.055 0.000 1.969 170 Q HA -0.082 4.257 4.340 -0.001 0.000 0.198 170 Q C 2.408 178.386 176.000 -0.036 0.000 0.978 170 Q CA 1.149 56.928 55.803 -0.041 0.000 0.830 170 Q CB -0.319 28.398 28.738 -0.034 0.000 0.896 170 Q HN 0.462 nan 8.270 nan 0.000 0.431 171 M N 0.365 119.943 119.600 -0.036 0.000 2.204 171 M HA -0.258 4.221 4.480 -0.001 0.000 0.255 171 M C 2.024 178.314 176.300 -0.017 0.000 1.073 171 M CA 2.201 57.483 55.300 -0.030 0.000 1.084 171 M CB -0.366 32.220 32.600 -0.023 0.000 1.289 171 M HN 0.205 nan 8.290 nan 0.000 0.419 172 V N 0.600 120.506 119.914 -0.014 0.000 2.380 172 V HA -0.286 3.833 4.120 -0.001 0.000 0.251 172 V C 2.412 178.500 176.094 -0.010 0.000 1.063 172 V CA 2.234 64.532 62.300 -0.003 0.000 1.055 172 V CB -1.035 30.742 31.823 -0.077 0.000 0.657 172 V HN 0.750 nan 8.190 nan 0.000 0.455 173 S N 0.127 115.811 115.700 -0.025 0.000 2.412 173 S HA -0.113 4.356 4.470 -0.001 0.000 0.223 173 S C 1.956 176.552 174.600 -0.007 0.000 1.048 173 S CA 1.044 59.232 58.200 -0.019 0.000 0.954 173 S CB -0.726 62.456 63.200 -0.029 0.000 0.840 173 S HN 0.676 nan 8.310 nan 0.000 0.503 174 T N 0.120 114.665 114.554 -0.014 0.000 3.163 174 T HA 0.208 4.558 4.350 -0.001 0.000 0.260 174 T C 0.613 175.303 174.700 -0.017 0.000 1.156 174 T CA -0.138 61.955 62.100 -0.013 0.000 1.072 174 T CB -0.802 68.054 68.868 -0.020 0.000 0.937 174 T HN 0.335 nan 8.240 nan 0.000 0.528 175 M N 2.524 122.115 119.600 -0.014 0.000 2.248 175 M HA 0.109 4.589 4.480 -0.001 0.000 0.343 175 M C 0.772 177.076 176.300 0.008 0.000 1.243 175 M CA 0.130 55.413 55.300 -0.029 0.000 1.025 175 M CB 0.527 33.137 32.600 0.017 0.000 1.759 175 M HN 0.365 nan 8.290 nan 0.000 0.452 176 S N 2.433 118.110 115.700 -0.039 0.000 2.611 176 S HA -0.032 4.437 4.470 -0.001 0.000 0.252 176 S C -0.229 174.526 174.600 0.258 0.000 1.369 176 S CA -0.374 57.877 58.200 0.086 0.000 0.975 176 S CB 0.417 63.647 63.200 0.049 0.000 0.937 176 S HN 0.776 nan 8.310 nan 0.000 0.584 177 D N -0.169 120.383 120.400 0.253 0.000 2.351 177 D HA 0.421 5.061 4.640 -0.001 0.000 0.251 177 D C 1.104 177.531 176.300 0.212 0.000 1.137 177 D CA 1.443 55.559 54.000 0.192 0.000 0.879 177 D CB 0.477 41.349 40.800 0.119 0.000 1.181 177 D HN 0.787 nan 8.370 nan 0.000 0.448 178 G N 3.047 111.925 108.800 0.130 0.000 2.299 178 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.237 178 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.237 178 G C 0.130 175.027 174.900 -0.005 0.000 1.027 178 G CA 0.080 45.189 45.100 0.015 0.000 0.619 178 G HN 0.482 nan 8.290 nan 0.000 0.513 179 W N 2.608 123.918 121.300 0.017 0.000 2.190 179 W HA 0.651 5.311 4.660 0.000 0.000 0.330 179 W C 0.697 177.233 176.519 0.028 0.000 1.299 179 W CA -0.167 57.186 57.345 0.013 0.000 1.215 179 W CB 0.646 30.117 29.460 0.018 0.000 1.147 179 W HN -0.069 nan 8.180 nan 0.000 0.563 180 K N 2.423 122.960 120.400 0.228 0.000 2.258 180 K HA 0.481 4.801 4.320 -0.001 0.000 0.236 180 K C -1.038 175.703 176.600 0.234 0.000 1.008 180 K CA -1.296 55.101 56.287 0.184 0.000 0.869 180 K CB 1.167 33.721 32.500 0.089 0.000 1.171 180 K HN 0.362 nan 8.250 nan 0.000 0.447 181 F N 1.196 121.195 119.950 0.081 0.000 2.371 181 F HA 0.149 4.675 4.527 -0.002 0.000 0.329 181 F C 1.111 176.954 175.800 0.072 0.000 1.107 181 F CA 0.314 58.358 58.000 0.074 0.000 1.137 181 F CB 0.954 39.982 39.000 0.047 0.000 1.214 181 F HN 0.459 nan 8.300 nan 0.000 0.536 182 E N 1.278 121.122 120.200 -0.593 0.000 3.100 182 E HA 0.117 4.466 4.350 -0.001 0.000 0.191 182 E C -0.637 175.711 176.600 -0.420 0.000 1.097 182 E CA 0.192 56.407 56.400 -0.309 0.000 1.339 182 E CB 0.414 30.035 29.700 -0.131 0.000 1.330 182 E HN 0.645 nan 8.360 nan 0.000 0.511 183 Q N 0.205 119.602 119.800 -0.671 0.000 2.633 183 Q HA 0.443 4.782 4.340 -0.001 0.000 0.289 183 Q C -1.843 173.973 176.000 -0.306 0.000 0.940 183 Q CA -0.650 54.963 55.803 -0.317 0.000 0.785 183 Q CB 2.046 30.716 28.738 -0.113 0.000 1.467 183 Q HN 0.123 nan 8.270 nan 0.000 0.401 184 L N -0.414 120.826 121.223 0.028 0.000 2.466 184 L HA 0.894 5.234 4.340 -0.001 0.000 0.258 184 L C -1.378 175.609 176.870 0.194 0.000 0.973 184 L CA -0.873 54.058 54.840 0.151 0.000 0.826 184 L CB 1.543 43.802 42.059 0.334 0.000 1.372 184 L HN 0.318 nan 8.230 nan 0.000 0.409 185 V N -0.940 119.069 119.914 0.159 0.000 2.760 185 V HA 0.817 4.937 4.120 -0.001 0.000 0.309 185 V C -0.092 175.924 176.094 -0.130 0.000 1.077 185 V CA -0.334 61.988 62.300 0.037 0.000 0.910 185 V CB 1.364 33.185 31.823 -0.003 0.000 1.008 185 V HN 1.024 nan 8.190 nan 0.000 0.424 186 S N 3.624 119.154 115.700 -0.284 0.000 2.632 186 S HA 0.766 5.236 4.470 -0.001 0.000 0.271 186 S C -0.227 174.142 174.600 -0.386 0.000 1.260 186 S CA -0.576 57.233 58.200 -0.652 0.000 1.010 186 S CB 0.738 63.619 63.200 -0.532 0.000 0.965 186 S HN 0.725 nan 8.310 nan 0.000 0.534 187 I N 3.038 123.365 120.570 -0.405 0.000 2.917 187 I HA 0.297 4.466 4.170 -0.001 0.000 0.292 187 I C 0.503 176.529 176.117 -0.152 0.000 1.510 187 I CA -0.005 61.171 61.300 -0.208 0.000 0.858 187 I CB -0.097 37.816 38.000 -0.146 0.000 1.862 187 I HN 0.874 nan 8.210 nan 0.000 0.615 188 G N 3.301 112.022 108.800 -0.132 0.000 2.884 188 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.261 188 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.261 188 G C -0.156 174.709 174.900 -0.058 0.000 1.025 188 G CA 0.031 45.085 45.100 -0.078 0.000 1.228 188 G HN 0.627 nan 8.290 nan 0.000 0.558 189 S N 0.214 115.883 115.700 -0.051 0.000 2.451 189 S HA 0.927 5.396 4.470 -0.001 0.000 0.301 189 S C 0.271 174.863 174.600 -0.014 0.000 1.116 189 S CA -0.023 58.162 58.200 -0.024 0.000 1.093 189 S CB 2.578 65.769 63.200 -0.015 0.000 1.017 189 S HN 1.184 nan 8.310 nan 0.000 0.482 197 D N 2.811 123.216 120.400 0.008 0.000 2.144 197 D HA -0.139 4.500 4.640 -0.001 0.000 0.207 197 D C 1.671 177.979 176.300 0.014 0.000 0.970 197 D CA 1.450 55.457 54.000 0.011 0.000 0.853 197 D CB 0.058 40.863 40.800 0.009 0.000 1.007 197 D HN 0.605 nan 8.370 nan 0.000 0.469 198 Q N 0.767 120.574 119.800 0.012 0.000 2.478 198 Q HA -0.310 4.029 4.340 -0.001 0.000 0.447 198 Q C 0.361 176.374 176.000 0.022 0.000 0.743 198 Q CA 1.765 57.576 55.803 0.014 0.000 0.966 198 Q CB -0.796 27.948 28.738 0.010 0.000 1.221 198 Q HN 0.300 nan 8.270 nan 0.000 0.856 199 A N -0.522 122.314 122.820 0.026 0.000 2.529 199 A HA 0.599 4.918 4.320 -0.001 0.000 0.296 199 A C -0.209 177.407 177.584 0.053 0.000 1.205 199 A CA 0.116 52.180 52.037 0.044 0.000 0.671 199 A CB 1.760 20.786 19.000 0.042 0.000 1.301 199 A HN 0.491 nan 8.150 nan 0.000 0.450 200 E N -1.899 118.358 120.200 0.094 0.000 2.560 200 E HA 0.366 4.715 4.350 -0.001 0.000 0.190 200 E C -1.337 175.309 176.600 0.076 0.000 0.956 200 E CA 0.341 56.802 56.400 0.102 0.000 1.515 200 E CB 0.520 30.336 29.700 0.194 0.000 1.930 200 E HN 0.439 nan 8.360 nan 0.000 0.939 201 F N 0.490 120.447 119.950 0.012 0.000 2.591 201 F HA 0.475 5.001 4.527 -0.001 0.000 0.309 201 F C -0.401 175.408 175.800 0.015 0.000 1.098 201 F CA -0.871 57.140 58.000 0.019 0.000 0.937 201 F CB 1.495 40.513 39.000 0.031 0.000 1.250 201 F HN -0.196 nan 8.300 nan 0.000 0.447 202 L N 1.407 122.727 121.223 0.162 0.000 2.472 202 L HA 0.665 5.005 4.340 -0.001 0.000 0.256 202 L C -0.601 176.358 176.870 0.148 0.000 1.111 202 L CA -0.876 54.030 54.840 0.110 0.000 0.800 202 L CB 1.556 43.642 42.059 0.044 0.000 1.286 202 L HN 0.648 nan 8.230 nan 0.000 0.479 203 C N 0.846 120.190 119.300 0.073 0.000 3.008 203 C HA 0.413 4.872 4.460 -0.001 0.000 0.405 203 C C -0.466 174.501 174.990 -0.038 0.000 1.046 203 C CA -0.481 58.558 59.018 0.035 0.000 1.249 203 C CB 0.474 28.266 27.740 0.086 0.000 1.656 203 C HN 0.473 nan 8.230 nan 0.000 0.517 204 V N 5.540 125.389 119.914 -0.109 0.000 2.607 204 V HA 0.721 4.841 4.120 -0.001 0.000 0.289 204 V C 0.181 176.186 176.094 -0.149 0.000 1.053 204 V CA -0.013 62.239 62.300 -0.081 0.000 0.996 204 V CB 1.576 33.361 31.823 -0.065 0.000 0.995 204 V HN 0.872 nan 8.190 nan 0.000 0.476 205 V N 4.208 124.137 119.914 0.024 0.000 2.817 205 V HA 0.756 4.876 4.120 -0.001 0.000 0.303 205 V C -0.258 175.984 176.094 0.246 0.000 1.151 205 V CA 0.130 62.482 62.300 0.087 0.000 0.929 205 V CB 2.405 34.291 31.823 0.104 0.000 1.030 205 V HN 1.069 nan 8.190 nan 0.000 0.427 206 S N 5.109 120.909 115.700 0.167 0.000 2.745 206 S HA 0.836 5.306 4.470 -0.001 0.000 0.292 206 S C -0.558 173.996 174.600 -0.077 0.000 1.133 206 S CA -0.536 57.633 58.200 -0.052 0.000 0.998 206 S CB 1.849 64.904 63.200 -0.243 0.000 1.087 206 S HN 1.251 nan 8.310 nan 0.000 0.551 207 K N 0.322 120.500 120.400 -0.370 0.000 2.571 207 K HA 0.256 4.575 4.320 -0.001 0.000 0.252 207 K C -1.239 175.166 176.600 -0.325 0.000 0.956 207 K CA -0.301 55.666 56.287 -0.534 0.000 0.822 207 K CB 1.808 33.510 32.500 -1.331 0.000 1.286 207 K HN 0.853 nan 8.250 nan 0.000 0.439 208 E N 3.500 123.603 120.200 -0.161 0.000 2.390 208 E HA 0.138 4.487 4.350 -0.001 0.000 0.261 208 E C -0.679 175.832 176.600 -0.147 0.000 1.076 208 E CA -0.251 56.129 56.400 -0.032 0.000 0.905 208 E CB 0.740 30.461 29.700 0.034 0.000 0.984 208 E HN 0.555 nan 8.360 nan 0.000 0.427 209 L N 3.871 125.007 121.223 -0.145 0.000 3.096 209 L HA 0.195 4.535 4.340 -0.001 0.000 0.272 209 L C -0.085 176.737 176.870 -0.080 0.000 1.311 209 L CA -0.373 54.387 54.840 -0.133 0.000 0.943 209 L CB -0.009 41.964 42.059 -0.145 0.000 1.348 209 L HN 0.612 nan 8.230 nan 0.000 0.562 210 H N 0.000 119.001 119.070 -0.114 0.000 2.539 210 H HA 0.000 4.557 4.556 0.001 0.000 0.296 210 H CA 0.000 55.998 56.048 -0.084 0.000 1.023 210 H CB 0.000 29.722 29.762 -0.067 0.000 1.292 210 H HN 0.000 nan 8.280 nan 0.000 0.496