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 2cko_1_B DATA FIRST_RESID 87 DATA SEQUENCE TRRRAYLWCK EFLPGAWRGL REDEFHISVI RGGLSNMLFQ CSLPDTTATL DATA SEQUENCE GDEPRKVLLR LYGXXXXXXX XXXXXXXXXX XXXXXXXXEA MVLESVMFAI DATA SEQUENCE LAERSLGPKL YGIFPQGRLE QFIPSRRLDT EELSLPDISA EIAEKMATFH DATA SEQUENCE GMKMPFNKEP KWLFGTMEKY LKEVLRIKFT EESRIKKLHK LLSYNLPLEL DATA SEQUENCE ENLRSLLEST PSPVVFCHND CQEGNILLLE GRENSEKQKL MLIDFEYSSY DATA SEQUENCE NYRGFDIGNH FCEWMYDYSY EKYPFFRANI RKYPTKKQQL HFISSYLPAF DATA SEQUENCE QNDFENLSTE EKSIIKEEML LEVNRFALAS HFLWGLWSIV QAKISSIEFG DATA SEQUENCE YMDYAQARFD AYFHQKRKLG V 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 87 T HA 0.000 nan 4.350 nan 0.000 0.228 87 T C 0.000 174.653 174.700 -0.079 0.000 1.109 87 T CA 0.000 62.065 62.100 -0.059 0.000 1.349 87 T CB 0.000 68.847 68.868 -0.036 0.000 0.612 88 R N 0.963 121.448 120.500 -0.025 0.000 2.096 88 R HA -0.082 4.619 4.340 0.602 0.000 0.240 88 R C 2.449 178.791 176.300 0.071 0.000 1.139 88 R CA 2.003 58.142 56.100 0.064 0.000 0.952 88 R CB -0.153 30.185 30.300 0.063 0.000 0.854 88 R HN 0.490 nan 8.270 nan 0.000 0.436 89 R N -0.269 120.219 120.500 -0.020 0.000 2.081 89 R HA -0.107 4.594 4.340 0.602 0.000 0.235 89 R C 2.568 178.765 176.300 -0.172 0.000 1.131 89 R CA 1.876 57.943 56.100 -0.055 0.000 0.960 89 R CB -0.186 30.069 30.300 -0.074 0.000 0.856 89 R HN 0.265 nan 8.270 nan 0.000 0.436 90 R N -0.027 120.295 120.500 -0.296 0.000 2.066 90 R HA -0.041 4.660 4.340 0.602 0.000 0.232 90 R C 2.367 178.186 176.300 -0.802 0.000 1.131 90 R CA 1.311 56.997 56.100 -0.690 0.000 0.955 90 R CB -0.342 29.537 30.300 -0.702 0.000 0.851 90 R HN 0.201 nan 8.270 nan 0.000 0.432 91 A N 0.664 123.326 122.820 -0.264 0.000 1.865 91 A HA -0.264 4.418 4.320 0.602 0.000 0.217 91 A C 2.013 179.493 177.584 -0.173 0.000 1.191 91 A CA 1.612 53.691 52.037 0.069 0.000 0.623 91 A CB -0.969 18.168 19.000 0.228 0.000 0.826 91 A HN 0.512 nan 8.150 nan 0.000 0.444 92 Y N 0.257 120.184 120.300 -0.622 0.000 2.102 92 Y HA -0.241 4.670 4.550 0.602 0.000 0.280 92 Y C 2.002 177.554 175.900 -0.580 0.000 1.178 92 Y CA 1.982 59.379 58.100 -1.171 0.000 1.146 92 Y CB -0.486 37.471 38.460 -0.838 0.000 0.968 92 Y HN 0.235 nan 8.280 nan 0.000 0.504 93 L N -1.182 119.640 121.223 -0.668 0.000 2.056 93 L HA -0.249 4.452 4.340 0.602 0.000 0.207 93 L C 2.387 178.984 176.870 -0.455 0.000 1.078 93 L CA 1.176 55.617 54.840 -0.664 0.000 0.749 93 L CB -0.531 41.189 42.059 -0.565 0.000 0.901 93 L HN 0.420 nan 8.230 nan 0.000 0.433 94 W N -0.787 120.301 121.300 -0.354 0.000 2.355 94 W HA -0.190 4.834 4.660 0.606 0.000 0.309 94 W C 2.698 179.108 176.519 -0.181 0.000 1.206 94 W CA 0.753 57.895 57.345 -0.338 0.000 1.284 94 W CB -1.435 27.584 29.460 -0.734 0.000 1.145 94 W HN 0.279 nan 8.180 nan 0.000 0.502 95 C N -0.047 119.224 119.300 -0.048 0.000 2.432 95 C HA -0.183 4.638 4.460 0.602 0.000 0.277 95 C C 2.768 177.703 174.990 -0.093 0.000 1.249 95 C CA 1.255 60.182 59.018 -0.152 0.000 1.725 95 C CB -1.183 26.464 27.740 -0.154 0.000 2.028 95 C HN 0.325 nan 8.230 nan 0.000 0.477 96 K N 0.852 121.140 120.400 -0.188 0.000 2.032 96 K HA -0.199 4.482 4.320 0.602 0.000 0.209 96 K C 1.846 178.398 176.600 -0.079 0.000 1.048 96 K CA 1.740 57.931 56.287 -0.160 0.000 0.927 96 K CB -0.176 32.004 32.500 -0.533 0.000 0.712 96 K HN 0.580 nan 8.250 nan 0.000 0.441 97 E N -1.125 119.016 120.200 -0.099 0.000 2.230 97 E HA -0.083 4.628 4.350 0.602 0.000 0.192 97 E C 1.651 178.138 176.600 -0.189 0.000 0.987 97 E CA 0.668 56.986 56.400 -0.137 0.000 0.841 97 E CB 0.105 29.693 29.700 -0.188 0.000 0.783 97 E HN 0.281 nan 8.360 nan 0.000 0.481 98 F N 0.445 120.365 119.950 -0.050 0.000 2.582 98 F HA 0.169 5.058 4.527 0.603 0.000 0.290 98 F C 0.920 176.704 175.800 -0.027 0.000 1.115 98 F CA 0.175 58.170 58.000 -0.007 0.000 1.445 98 F CB 0.449 39.470 39.000 0.034 0.000 1.126 98 F HN -0.178 nan 8.300 nan 0.000 0.574 99 L N 2.410 123.666 121.223 0.054 0.000 2.307 99 L HA 0.364 5.065 4.340 0.602 0.000 0.282 99 L C -2.175 174.739 176.870 0.073 0.000 1.051 99 L CA -1.994 52.803 54.840 -0.073 0.000 0.804 99 L CB 1.042 42.763 42.059 -0.564 0.000 1.197 99 L HN -0.235 nan 8.230 nan 0.000 0.431 100 P HA 0.399 nan 4.420 nan 0.000 0.284 100 P C 0.239 177.657 177.300 0.197 0.000 1.292 100 P CA 0.140 63.318 63.100 0.130 0.000 0.800 100 P CB 1.472 33.232 31.700 0.101 0.000 1.188 101 G N 0.163 109.045 108.800 0.136 0.000 2.527 101 G HA2 -0.284 4.037 3.960 0.602 0.000 0.268 101 G HA3 -0.284 4.037 3.960 0.602 0.000 0.268 101 G C 1.152 176.114 174.900 0.103 0.000 1.175 101 G CA 1.050 46.218 45.100 0.114 0.000 0.962 101 G HN 0.620 nan 8.290 nan 0.000 0.560 102 A N -1.043 121.805 122.820 0.047 0.000 1.986 102 A HA -0.034 4.647 4.320 0.602 0.000 0.220 102 A C 2.133 179.682 177.584 -0.059 0.000 1.171 102 A CA 2.455 54.459 52.037 -0.054 0.000 0.640 102 A CB -0.700 18.202 19.000 -0.163 0.000 0.811 102 A HN 0.935 nan 8.150 nan 0.000 0.451 103 W N -0.296 121.023 121.300 0.032 0.000 2.374 103 W HA -0.100 4.923 4.660 0.604 0.000 0.288 103 W C 2.416 178.936 176.519 0.002 0.000 1.218 103 W CA 1.017 58.382 57.345 0.034 0.000 1.245 103 W CB -0.110 29.366 29.460 0.027 0.000 1.126 103 W HN 0.179 nan 8.180 nan 0.000 0.545 104 R N -0.559 120.060 120.500 0.199 0.000 2.120 104 R HA -0.044 4.657 4.340 0.602 0.000 0.234 104 R C 1.872 178.206 176.300 0.057 0.000 1.123 104 R CA 1.487 57.645 56.100 0.097 0.000 0.975 104 R CB -1.256 29.084 30.300 0.066 0.000 0.866 104 R HN 0.275 nan 8.270 nan 0.000 0.446 105 G N 0.251 109.086 108.800 0.058 0.000 3.690 105 G HA2 0.173 4.494 3.960 0.602 0.000 0.283 105 G HA3 0.173 4.494 3.960 0.602 0.000 0.283 105 G C -0.153 174.786 174.900 0.066 0.000 1.057 105 G CA -0.436 44.692 45.100 0.047 0.000 0.821 105 G HN 0.027 nan 8.290 nan 0.000 0.526 106 L N 1.541 122.827 121.223 0.105 0.000 2.416 106 L HA 0.406 5.107 4.340 0.602 0.000 0.272 106 L C 0.673 177.703 176.870 0.267 0.000 1.161 106 L CA -0.370 54.563 54.840 0.155 0.000 0.845 106 L CB 0.496 42.676 42.059 0.202 0.000 1.119 106 L HN 0.120 nan 8.230 nan 0.000 0.464 107 R N 3.185 123.776 120.500 0.151 0.000 2.500 107 R HA 0.116 4.817 4.340 0.602 0.000 0.275 107 R C 1.025 177.197 176.300 -0.214 0.000 1.051 107 R CA -0.653 55.475 56.100 0.048 0.000 1.088 107 R CB 0.602 30.891 30.300 -0.018 0.000 1.063 107 R HN 0.658 nan 8.270 nan 0.000 0.511 108 E N 2.248 122.037 120.200 -0.685 0.000 2.097 108 E HA -0.272 4.440 4.350 0.602 0.000 0.196 108 E C 0.887 177.244 176.600 -0.405 0.000 1.000 108 E CA 2.496 58.258 56.400 -1.065 0.000 0.804 108 E CB -0.007 29.234 29.700 -0.765 0.000 0.740 108 E HN 0.762 nan 8.360 nan 0.000 0.454 109 D N -0.729 119.530 120.400 -0.235 0.000 2.310 109 D HA -0.131 4.870 4.640 0.602 0.000 0.212 109 D C 1.358 177.596 176.300 -0.103 0.000 0.965 109 D CA 0.940 54.855 54.000 -0.140 0.000 0.879 109 D CB -0.164 40.575 40.800 -0.102 0.000 0.921 109 D HN 0.277 nan 8.370 nan 0.000 0.510 110 E N -1.062 119.107 120.200 -0.052 0.000 2.474 110 E HA 0.047 4.758 4.350 0.602 0.000 0.194 110 E C -0.257 176.408 176.600 0.109 0.000 1.041 110 E CA -0.410 56.006 56.400 0.025 0.000 0.874 110 E CB 0.117 29.849 29.700 0.053 0.000 0.914 110 E HN 0.279 nan 8.360 nan 0.000 0.498 111 F N 1.937 121.827 119.950 -0.100 0.000 2.467 111 F HA 0.128 5.015 4.527 0.601 0.000 0.362 111 F C -0.249 175.483 175.800 -0.113 0.000 1.090 111 F CA -0.408 57.602 58.000 0.017 0.000 1.202 111 F CB 0.287 39.325 39.000 0.063 0.000 1.113 111 F HN -0.096 nan 8.300 nan 0.000 0.541 112 H N 6.696 125.507 119.070 -0.432 0.000 2.511 112 H HA 0.580 5.497 4.556 0.602 0.000 0.328 112 H C -0.576 174.376 175.328 -0.628 0.000 1.044 112 H CA -0.500 55.311 56.048 -0.396 0.000 1.212 112 H CB 1.452 31.095 29.762 -0.198 0.000 1.428 112 H HN 0.695 nan 8.280 nan 0.000 0.483 113 I N 2.315 122.645 120.570 -0.399 0.000 2.802 113 I HA 0.602 5.133 4.170 0.602 0.000 0.298 113 I C -1.123 174.973 176.117 -0.035 0.000 1.176 113 I CA -0.394 60.753 61.300 -0.255 0.000 1.025 113 I CB 1.503 39.317 38.000 -0.309 0.000 1.243 113 I HN 0.745 nan 8.210 nan 0.000 0.424 114 S N 4.921 120.667 115.700 0.077 0.000 2.550 114 S HA 0.556 5.387 4.470 0.602 0.000 0.270 114 S C -1.092 173.623 174.600 0.191 0.000 1.145 114 S CA -0.816 57.454 58.200 0.117 0.000 0.852 114 S CB 1.597 64.828 63.200 0.051 0.000 1.119 114 S HN 0.433 nan 8.310 nan 0.000 0.465 115 V N 3.193 123.194 119.914 0.145 0.000 2.529 115 V HA 0.104 4.585 4.120 0.602 0.000 0.292 115 V C 0.720 176.777 176.094 -0.062 0.000 1.028 115 V CA -0.089 62.194 62.300 -0.027 0.000 1.074 115 V CB 0.260 32.056 31.823 -0.045 0.000 0.958 115 V HN 0.873 nan 8.190 nan 0.000 0.481 116 I N 3.856 124.341 120.570 -0.142 0.000 2.927 116 I HA 0.233 4.764 4.170 0.602 0.000 0.268 116 I C 1.044 177.100 176.117 -0.101 0.000 1.153 116 I CA 0.952 62.221 61.300 -0.052 0.000 1.459 116 I CB -0.090 37.932 38.000 0.037 0.000 1.149 116 I HN 0.582 nan 8.210 nan 0.000 0.443 117 R N -0.263 120.106 120.500 -0.217 0.000 2.535 117 R HA 0.498 5.199 4.340 0.602 0.000 0.274 117 R C -0.068 176.090 176.300 -0.237 0.000 1.090 117 R CA -0.287 55.708 56.100 -0.175 0.000 0.930 117 R CB 1.891 32.117 30.300 -0.123 0.000 1.223 117 R HN 0.118 nan 8.270 nan 0.000 0.441 118 G N 0.909 109.627 108.800 -0.136 0.000 2.546 118 G HA2 0.638 4.959 3.960 0.602 0.000 0.239 118 G HA3 0.638 4.959 3.960 0.602 0.000 0.239 118 G C 0.070 174.939 174.900 -0.053 0.000 1.476 118 G CA -0.046 44.999 45.100 -0.091 0.000 1.064 118 G HN 0.992 nan 8.290 nan 0.000 0.561 119 G N -2.477 106.316 108.800 -0.011 0.000 2.434 119 G HA2 0.163 4.485 3.960 0.602 0.000 0.671 119 G HA3 0.163 4.485 3.960 0.602 0.000 0.671 119 G C 0.131 175.051 174.900 0.034 0.000 1.280 119 G CA 0.134 45.237 45.100 0.007 0.000 0.975 119 G HN 1.411 nan 8.290 nan 0.000 0.510 120 L N 0.521 121.768 121.223 0.039 0.000 2.556 120 L HA 0.568 5.270 4.340 0.602 0.000 0.226 120 L C 1.281 178.188 176.870 0.062 0.000 1.089 120 L CA 1.781 56.652 54.840 0.052 0.000 0.864 120 L CB 0.026 42.112 42.059 0.044 0.000 1.067 120 L HN 1.445 nan 8.230 nan 0.000 0.477 121 S N -2.134 113.600 115.700 0.056 0.000 2.618 121 S HA 0.390 5.221 4.470 0.602 0.000 0.277 121 S C -0.425 174.209 174.600 0.057 0.000 1.138 121 S CA -0.755 57.485 58.200 0.067 0.000 0.844 121 S CB 1.063 64.297 63.200 0.056 0.000 1.127 121 S HN 0.165 nan 8.310 nan 0.000 0.474 122 N N 0.286 119.033 118.700 0.078 0.000 2.702 122 N HA -0.168 4.933 4.740 0.602 0.000 0.261 122 N C -0.729 174.787 175.510 0.009 0.000 0.965 122 N CA 0.910 53.993 53.050 0.055 0.000 0.795 122 N CB -1.304 37.207 38.487 0.040 0.000 0.909 122 N HN 0.683 nan 8.380 nan 0.000 0.546 123 M N 0.399 120.013 119.600 0.022 0.000 2.243 123 M HA 0.281 5.122 4.480 0.602 0.000 0.341 123 M C 0.750 176.969 176.300 -0.135 0.000 1.130 123 M CA 0.507 55.761 55.300 -0.076 0.000 1.162 123 M CB 0.747 33.347 32.600 -0.001 0.000 1.497 123 M HN 0.077 nan 8.290 nan 0.000 0.456 124 L N 2.480 123.471 121.223 -0.387 0.000 2.381 124 L HA 0.699 5.400 4.340 0.602 0.000 0.268 124 L C -1.336 175.189 176.870 -0.574 0.000 0.997 124 L CA -0.565 54.122 54.840 -0.255 0.000 0.818 124 L CB 1.436 43.435 42.059 -0.098 0.000 1.310 124 L HN 0.577 nan 8.230 nan 0.000 0.416 125 F N 0.219 120.227 119.950 0.097 0.000 2.578 125 F HA 0.396 5.284 4.527 0.602 0.000 0.311 125 F C -0.059 175.807 175.800 0.109 0.000 1.094 125 F CA -0.625 57.434 58.000 0.099 0.000 0.923 125 F CB 2.148 41.216 39.000 0.113 0.000 1.230 125 F HN 0.393 nan 8.300 nan 0.000 0.450 126 Q N 2.283 122.222 119.800 0.232 0.000 2.278 126 Q HA 0.588 5.289 4.340 0.602 0.000 0.257 126 Q C -1.613 174.430 176.000 0.072 0.000 0.928 126 Q CA -0.378 55.471 55.803 0.076 0.000 0.932 126 Q CB 1.199 29.877 28.738 -0.100 0.000 1.221 126 Q HN 0.831 nan 8.270 nan 0.000 0.434 127 C N 3.206 122.563 119.300 0.096 0.000 2.408 127 C HA 0.816 5.638 4.460 0.602 0.000 0.321 127 C C -0.537 174.622 174.990 0.282 0.000 1.245 127 C CA -0.578 58.532 59.018 0.152 0.000 1.523 127 C CB 0.803 28.741 27.740 0.331 0.000 2.178 127 C HN 0.931 nan 8.230 nan 0.000 0.488 128 S N 2.210 118.078 115.700 0.280 0.000 2.618 128 S HA 0.763 5.594 4.470 0.602 0.000 0.277 128 S C -1.114 173.512 174.600 0.044 0.000 1.138 128 S CA -0.836 57.519 58.200 0.259 0.000 0.844 128 S CB 0.589 63.793 63.200 0.007 0.000 1.127 128 S HN 0.588 nan 8.310 nan 0.000 0.474 129 L N 1.565 122.653 121.223 -0.224 0.000 2.417 129 L HA 0.410 5.112 4.340 0.602 0.000 0.268 129 L C -2.244 174.459 176.870 -0.278 0.000 1.158 129 L CA -2.073 52.533 54.840 -0.390 0.000 0.819 129 L CB 0.125 41.896 42.059 -0.479 0.000 1.112 129 L HN 0.438 nan 8.230 nan 0.000 0.458 130 P HA -0.046 nan 4.420 nan 0.000 0.263 130 P C -0.454 176.713 177.300 -0.221 0.000 1.175 130 P CA 0.079 63.022 63.100 -0.262 0.000 0.761 130 P CB 0.381 32.054 31.700 -0.045 0.000 0.794 131 D N 0.151 120.416 120.400 -0.225 0.000 2.310 131 D HA -0.127 4.874 4.640 0.602 0.000 0.212 131 D C 1.467 177.709 176.300 -0.096 0.000 0.965 131 D CA 1.396 55.309 54.000 -0.144 0.000 0.879 131 D CB -0.826 39.900 40.800 -0.124 0.000 0.921 131 D HN 0.415 nan 8.370 nan 0.000 0.510 132 T N -2.907 111.596 114.554 -0.085 0.000 3.088 132 T HA -0.000 4.711 4.350 0.602 0.000 0.259 132 T C 0.928 175.593 174.700 -0.059 0.000 1.122 132 T CA 0.042 62.108 62.100 -0.057 0.000 1.095 132 T CB -0.391 68.453 68.868 -0.039 0.000 0.930 132 T HN -0.096 nan 8.240 nan 0.000 0.508 133 T N 3.245 117.750 114.554 -0.082 0.000 2.749 133 T HA 0.627 5.339 4.350 0.602 0.000 0.295 133 T C 0.367 175.016 174.700 -0.084 0.000 0.936 133 T CA -0.538 61.508 62.100 -0.089 0.000 1.060 133 T CB 0.869 69.659 68.868 -0.131 0.000 0.904 133 T HN 0.524 nan 8.240 nan 0.000 0.500 134 A N 3.926 126.710 122.820 -0.060 0.000 2.425 134 A HA 0.507 5.189 4.320 0.602 0.000 0.249 134 A C 1.025 178.579 177.584 -0.050 0.000 1.084 134 A CA -0.729 51.282 52.037 -0.044 0.000 0.781 134 A CB -0.083 18.901 19.000 -0.026 0.000 1.019 134 A HN 0.847 nan 8.150 nan 0.000 0.490 135 T N 0.856 115.391 114.554 -0.032 0.000 2.913 135 T HA 0.421 5.132 4.350 0.602 0.000 0.297 135 T C 0.920 175.624 174.700 0.006 0.000 1.029 135 T CA -0.533 61.560 62.100 -0.011 0.000 1.104 135 T CB 0.508 69.386 68.868 0.018 0.000 0.964 135 T HN 0.412 nan 8.240 nan 0.000 0.532 136 L N 1.295 122.530 121.223 0.018 0.000 2.446 136 L HA 0.362 5.063 4.340 0.602 0.000 0.219 136 L C 1.611 178.501 176.870 0.034 0.000 1.116 136 L CA 0.448 55.302 54.840 0.023 0.000 0.844 136 L CB -0.602 41.473 42.059 0.027 0.000 0.970 136 L HN 1.011 nan 8.230 nan 0.000 0.457 137 G N -0.174 108.654 108.800 0.046 0.000 3.319 137 G HA2 0.027 4.348 3.960 0.602 0.000 0.158 137 G HA3 0.027 4.348 3.960 0.602 0.000 0.158 137 G C -0.862 174.075 174.900 0.062 0.000 1.205 137 G CA 0.415 45.546 45.100 0.052 0.000 1.252 137 G HN 0.114 nan 8.290 nan 0.000 0.668 138 D N 1.150 121.595 120.400 0.076 0.000 2.424 138 D HA 0.080 5.081 4.640 0.602 0.000 0.220 138 D C 0.420 176.784 176.300 0.107 0.000 1.150 138 D CA -0.174 53.879 54.000 0.088 0.000 0.831 138 D CB 0.023 40.877 40.800 0.089 0.000 0.981 138 D HN 0.499 nan 8.370 nan 0.000 0.500 139 E N 1.990 122.255 120.200 0.107 0.000 2.404 139 E HA 0.160 4.871 4.350 0.602 0.000 0.261 139 E C -2.252 174.417 176.600 0.115 0.000 1.074 139 E CA -1.419 55.046 56.400 0.108 0.000 0.917 139 E CB 0.445 30.257 29.700 0.187 0.000 0.965 139 E HN 0.006 nan 8.360 nan 0.000 0.433 140 P HA 0.181 nan 4.420 nan 0.000 0.275 140 P C 0.017 177.500 177.300 0.304 0.000 1.228 140 P CA -0.356 62.803 63.100 0.098 0.000 0.786 140 P CB 0.966 32.606 31.700 -0.099 0.000 0.927 141 R N 0.890 121.526 120.500 0.227 0.000 2.161 141 R HA 0.083 4.784 4.340 0.602 0.000 0.213 141 R C 1.037 177.512 176.300 0.292 0.000 1.055 141 R CA 0.826 57.046 56.100 0.200 0.000 0.996 141 R CB 0.184 30.530 30.300 0.076 0.000 0.901 141 R HN 0.475 nan 8.270 nan 0.000 0.456 142 K N 0.927 121.483 120.400 0.259 0.000 2.501 142 K HA 0.311 4.992 4.320 0.602 0.000 0.252 142 K C -1.234 175.483 176.600 0.196 0.000 0.934 142 K CA -0.594 55.811 56.287 0.197 0.000 0.797 142 K CB 2.214 34.704 32.500 -0.016 0.000 1.270 142 K HN -0.089 nan 8.250 nan 0.000 0.431 143 V N 0.843 120.854 119.914 0.162 0.000 3.130 143 V HA 0.623 5.105 4.120 0.602 0.000 0.310 143 V C -1.505 174.736 176.094 0.244 0.000 1.158 143 V CA -1.185 61.227 62.300 0.186 0.000 1.029 143 V CB 1.924 33.751 31.823 0.007 0.000 1.057 143 V HN 0.688 nan 8.190 nan 0.000 0.436 144 L N 3.145 124.552 121.223 0.307 0.000 2.296 144 L HA 0.643 5.344 4.340 0.602 0.000 0.286 144 L C -0.972 176.019 176.870 0.200 0.000 1.023 144 L CA -0.504 54.519 54.840 0.305 0.000 0.812 144 L CB 1.286 43.544 42.059 0.332 0.000 1.223 144 L HN 0.930 nan 8.230 nan 0.000 0.421 145 L N 6.484 127.844 121.223 0.228 0.000 2.275 145 L HA 0.508 5.209 4.340 0.602 0.000 0.288 145 L C -0.300 176.674 176.870 0.174 0.000 1.046 145 L CA -0.091 54.865 54.840 0.193 0.000 0.805 145 L CB 1.066 43.291 42.059 0.277 0.000 1.193 145 L HN 0.748 nan 8.230 nan 0.000 0.426 146 R N 5.003 125.486 120.500 -0.028 0.000 2.360 146 R HA 0.568 5.269 4.340 0.602 0.000 0.318 146 R C -1.832 174.311 176.300 -0.262 0.000 0.950 146 R CA -0.767 55.269 56.100 -0.106 0.000 0.837 146 R CB 1.088 31.267 30.300 -0.201 0.000 1.165 146 R HN 0.640 nan 8.270 nan 0.000 0.458 147 L N 5.625 126.802 121.223 -0.077 0.000 2.287 147 L HA 0.295 4.996 4.340 0.602 0.000 0.287 147 L C 0.114 176.942 176.870 -0.070 0.000 1.022 147 L CA -0.266 54.500 54.840 -0.123 0.000 0.814 147 L CB 1.190 43.343 42.059 0.157 0.000 1.217 147 L HN 0.737 nan 8.230 nan 0.000 0.420 148 Y N 3.805 124.077 120.300 -0.047 0.000 2.165 148 Y HA 0.015 4.929 4.550 0.607 0.000 0.286 148 Y C 1.725 177.624 175.900 -0.001 0.000 1.155 148 Y CA 0.518 58.589 58.100 -0.048 0.000 1.164 148 Y CB -0.220 38.194 38.460 -0.078 0.000 0.978 148 Y HN 0.768 nan 8.280 nan 0.000 0.513 176 A N 0.861 123.652 122.820 -0.048 0.000 1.881 176 A HA -0.178 4.504 4.320 0.602 0.000 0.219 176 A C 2.545 180.063 177.584 -0.110 0.000 1.215 176 A CA 3.705 55.695 52.037 -0.079 0.000 0.648 176 A CB -0.743 18.207 19.000 -0.083 0.000 0.832 176 A HN 1.151 nan 8.150 nan 0.000 0.455 177 M N -0.427 119.096 119.600 -0.129 0.000 2.108 177 M HA -0.118 4.723 4.480 0.602 0.000 0.261 177 M C 1.870 178.117 176.300 -0.089 0.000 1.066 177 M CA 2.253 57.453 55.300 -0.168 0.000 1.107 177 M CB -0.428 32.069 32.600 -0.171 0.000 1.356 177 M HN 0.131 nan 8.290 nan 0.000 0.406 178 V N 0.519 120.408 119.914 -0.041 0.000 2.295 178 V HA -0.278 4.203 4.120 0.602 0.000 0.246 178 V C 2.420 178.537 176.094 0.039 0.000 1.049 178 V CA 2.082 64.386 62.300 0.008 0.000 1.024 178 V CB -0.863 30.975 31.823 0.025 0.000 0.648 178 V HN 0.578 nan 8.190 nan 0.000 0.447 179 L N -0.551 120.680 121.223 0.014 0.000 2.027 179 L HA -0.182 4.519 4.340 0.602 0.000 0.206 179 L C 2.548 179.415 176.870 -0.005 0.000 1.074 179 L CA 1.711 56.552 54.840 0.001 0.000 0.745 179 L CB -0.737 41.214 42.059 -0.181 0.000 0.898 179 L HN 0.336 nan 8.230 nan 0.000 0.433 180 E N 0.094 120.269 120.200 -0.040 0.000 2.065 180 E HA -0.242 4.469 4.350 0.602 0.000 0.201 180 E C 2.313 178.974 176.600 0.102 0.000 1.016 180 E CA 1.974 58.378 56.400 0.007 0.000 0.818 180 E CB -0.018 29.637 29.700 -0.075 0.000 0.749 180 E HN 0.383 nan 8.360 nan 0.000 0.453 181 S N 0.011 115.746 115.700 0.060 0.000 2.356 181 S HA -0.142 4.689 4.470 0.602 0.000 0.223 181 S C 2.160 176.852 174.600 0.153 0.000 1.032 181 S CA 1.049 59.303 58.200 0.090 0.000 1.005 181 S CB -0.248 62.969 63.200 0.030 0.000 0.867 181 S HN 0.072 nan 8.310 nan 0.000 0.449 182 V N 2.230 122.233 119.914 0.149 0.000 2.295 182 V HA -0.215 4.266 4.120 0.602 0.000 0.246 182 V C 2.329 178.537 176.094 0.190 0.000 1.049 182 V CA 1.927 64.322 62.300 0.158 0.000 1.024 182 V CB -0.575 31.356 31.823 0.180 0.000 0.648 182 V HN 0.488 nan 8.190 nan 0.000 0.447 183 M N -1.063 118.719 119.600 0.303 0.000 2.065 183 M HA -0.245 4.596 4.480 0.602 0.000 0.259 183 M C 2.181 178.578 176.300 0.161 0.000 1.069 183 M CA 2.351 57.818 55.300 0.279 0.000 1.110 183 M CB -0.385 32.400 32.600 0.308 0.000 1.328 183 M HN 0.382 nan 8.290 nan 0.000 0.405 184 F N 0.777 120.786 119.950 0.099 0.000 2.091 184 F HA -0.266 4.619 4.527 0.597 0.000 0.299 184 F C 2.316 178.135 175.800 0.031 0.000 1.103 184 F CA 2.080 60.138 58.000 0.096 0.000 1.228 184 F CB -0.517 38.541 39.000 0.097 0.000 0.984 184 F HN 0.247 nan 8.300 nan 0.000 0.477 185 A N 0.471 123.419 122.820 0.214 0.000 1.908 185 A HA -0.192 4.489 4.320 0.602 0.000 0.218 185 A C 2.270 179.825 177.584 -0.050 0.000 1.181 185 A CA 2.052 54.138 52.037 0.081 0.000 0.627 185 A CB -1.209 17.844 19.000 0.089 0.000 0.818 185 A HN 0.517 nan 8.150 nan 0.000 0.445 186 I N -0.507 120.020 120.570 -0.072 0.000 2.179 186 I HA -0.258 4.273 4.170 0.602 0.000 0.242 186 I C 2.389 178.386 176.117 -0.200 0.000 1.088 186 I CA 1.144 62.358 61.300 -0.144 0.000 1.357 186 I CB -0.324 37.565 38.000 -0.185 0.000 1.051 186 I HN 0.300 nan 8.210 nan 0.000 0.409 187 L N 0.431 121.503 121.223 -0.251 0.000 2.046 187 L HA -0.207 4.494 4.340 0.602 0.000 0.208 187 L C 2.877 179.589 176.870 -0.264 0.000 1.077 187 L CA 1.368 56.025 54.840 -0.305 0.000 0.747 187 L CB -0.816 40.998 42.059 -0.409 0.000 0.896 187 L HN 0.234 nan 8.230 nan 0.000 0.432 188 A N -0.183 122.450 122.820 -0.310 0.000 1.892 188 A HA -0.231 4.450 4.320 0.602 0.000 0.218 188 A C 2.216 179.707 177.584 -0.155 0.000 1.188 188 A CA 1.751 53.639 52.037 -0.248 0.000 0.631 188 A CB -0.472 18.383 19.000 -0.241 0.000 0.822 188 A HN 0.371 nan 8.150 nan 0.000 0.447 189 E N -0.231 119.890 120.200 -0.132 0.000 2.160 189 E HA -0.155 4.556 4.350 0.602 0.000 0.195 189 E C 1.890 178.430 176.600 -0.100 0.000 0.991 189 E CA 1.029 57.369 56.400 -0.099 0.000 0.810 189 E CB -0.250 29.396 29.700 -0.090 0.000 0.742 189 E HN 0.645 nan 8.360 nan 0.000 0.466 190 R N -0.118 120.307 120.500 -0.125 0.000 2.334 190 R HA 0.127 4.828 4.340 0.602 0.000 0.216 190 R C 0.322 176.564 176.300 -0.097 0.000 0.905 190 R CA 0.272 56.301 56.100 -0.117 0.000 1.064 190 R CB 0.355 30.564 30.300 -0.152 0.000 1.046 190 R HN -0.091 nan 8.270 nan 0.000 0.508 191 S N 0.284 115.928 115.700 -0.093 0.000 3.672 191 S HA -0.090 4.741 4.470 0.602 0.000 0.319 191 S C 0.448 175.017 174.600 -0.052 0.000 1.151 191 S CA 0.379 58.540 58.200 -0.064 0.000 0.911 191 S CB -0.897 62.277 63.200 -0.043 0.000 0.939 191 S HN 0.243 nan 8.310 nan 0.000 0.524 192 L N -0.472 120.707 121.223 -0.074 0.000 2.693 192 L HA 0.452 5.153 4.340 0.602 0.000 0.235 192 L C 1.269 178.155 176.870 0.028 0.000 1.127 192 L CA 1.420 56.242 54.840 -0.029 0.000 0.914 192 L CB -0.214 41.800 42.059 -0.075 0.000 1.193 192 L HN 0.554 nan 8.230 nan 0.000 0.502 193 G N -0.814 107.960 108.800 -0.043 0.000 2.727 193 G HA2 0.580 4.901 3.960 0.602 0.000 0.289 193 G HA3 0.580 4.901 3.960 0.602 0.000 0.289 193 G C -2.957 171.880 174.900 -0.104 0.000 1.418 193 G CA -0.823 44.276 45.100 -0.002 0.000 0.818 193 G HN -0.224 nan 8.290 nan 0.000 0.486 194 P HA 0.189 nan 4.420 nan 0.000 0.268 194 P C -0.180 177.061 177.300 -0.100 0.000 1.205 194 P CA -0.054 63.041 63.100 -0.007 0.000 0.771 194 P CB 0.530 32.335 31.700 0.175 0.000 0.858 195 K N 1.400 121.744 120.400 -0.093 0.000 2.440 195 K HA 0.133 4.814 4.320 0.602 0.000 0.270 195 K C -0.058 176.424 176.600 -0.196 0.000 0.980 195 K CA -0.184 55.964 56.287 -0.232 0.000 0.953 195 K CB 0.045 32.304 32.500 -0.401 0.000 0.925 195 K HN 0.296 nan 8.250 nan 0.000 0.497 196 L N 3.158 124.282 121.223 -0.166 0.000 2.280 196 L HA 0.195 4.897 4.340 0.602 0.000 0.287 196 L C -0.591 176.176 176.870 -0.171 0.000 1.023 196 L CA 0.096 54.947 54.840 0.019 0.000 0.819 196 L CB 0.713 42.905 42.059 0.221 0.000 1.212 196 L HN 0.577 nan 8.230 nan 0.000 0.420 197 Y N 3.517 123.881 120.300 0.108 0.000 2.503 197 Y HA 0.589 5.501 4.550 0.604 0.000 0.277 197 Y C 1.306 177.277 175.900 0.119 0.000 1.102 197 Y CA 0.052 58.206 58.100 0.090 0.000 1.261 197 Y CB 0.556 39.046 38.460 0.050 0.000 1.096 197 Y HN 0.619 nan 8.280 nan 0.000 0.546 198 G N -0.230 108.670 108.800 0.167 0.000 2.733 198 G HA2 0.494 4.815 3.960 0.602 0.000 0.297 198 G HA3 0.494 4.815 3.960 0.602 0.000 0.297 198 G C -2.166 172.602 174.900 -0.220 0.000 1.452 198 G CA -0.520 44.620 45.100 0.067 0.000 0.940 198 G HN -0.048 nan 8.290 nan 0.000 0.547 199 I N 1.268 121.721 120.570 -0.194 0.000 2.569 199 I HA 0.876 5.408 4.170 0.602 0.000 0.290 199 I C -1.337 174.653 176.117 -0.212 0.000 1.088 199 I CA -1.110 59.963 61.300 -0.377 0.000 1.047 199 I CB 1.437 39.346 38.000 -0.153 0.000 1.237 199 I HN 0.566 nan 8.210 nan 0.000 0.421 200 F N 4.798 124.549 119.950 -0.332 0.000 2.686 200 F HA 0.669 5.560 4.527 0.606 0.000 0.311 200 F C -2.394 173.319 175.800 -0.145 0.000 1.128 200 F CA -1.966 55.905 58.000 -0.216 0.000 0.946 200 F CB 0.019 38.788 39.000 -0.384 0.000 1.336 200 F HN 0.145 nan 8.300 nan 0.000 0.457 201 P HA -0.214 nan 4.420 nan 0.000 0.216 201 P C 0.970 178.341 177.300 0.118 0.000 1.154 201 P CA 2.065 65.243 63.100 0.130 0.000 0.865 201 P CB 0.055 31.858 31.700 0.171 0.000 0.789 202 Q N -1.207 118.634 119.800 0.068 0.000 2.360 202 Q HA 0.324 5.026 4.340 0.602 0.000 0.202 202 Q C 0.898 176.563 176.000 -0.559 0.000 0.915 202 Q CA 0.779 56.569 55.803 -0.022 0.000 0.943 202 Q CB 0.419 29.247 28.738 0.149 0.000 1.064 202 Q HN 0.204 nan 8.270 nan 0.000 0.511 203 G N 1.013 109.127 108.800 -1.143 0.000 2.360 203 G HA2 0.416 4.737 3.960 0.602 0.000 0.276 203 G HA3 0.416 4.737 3.960 0.602 0.000 0.276 203 G C -1.646 172.025 174.900 -2.047 0.000 1.256 203 G CA -0.499 43.504 45.100 -1.828 0.000 0.890 203 G HN 0.321 nan 8.290 nan 0.000 0.486 204 R N -1.318 118.285 120.500 -1.496 0.000 2.716 204 R HA 0.729 5.431 4.340 0.602 0.000 0.271 204 R C -1.759 174.241 176.300 -0.501 0.000 1.028 204 R CA -1.041 54.382 56.100 -1.128 0.000 0.883 204 R CB 1.142 30.989 30.300 -0.755 0.000 1.250 204 R HN 0.485 nan 8.270 nan 0.000 0.465 205 L N 1.695 122.766 121.223 -0.254 0.000 2.305 205 L HA 0.508 5.209 4.340 0.602 0.000 0.284 205 L C -0.460 176.461 176.870 0.086 0.000 1.013 205 L CA -0.557 54.278 54.840 -0.010 0.000 0.819 205 L CB 1.776 43.873 42.059 0.064 0.000 1.227 205 L HN 0.694 nan 8.230 nan 0.000 0.417 206 E N 1.993 122.288 120.200 0.158 0.000 2.320 206 E HA 0.331 5.043 4.350 0.602 0.000 0.264 206 E C -1.163 175.670 176.600 0.388 0.000 0.923 206 E CA -1.067 55.485 56.400 0.252 0.000 0.796 206 E CB 1.682 31.535 29.700 0.256 0.000 1.262 206 E HN 0.414 nan 8.360 nan 0.000 0.428 207 Q N 1.147 121.162 119.800 0.357 0.000 2.304 207 Q HA -0.030 4.671 4.340 0.602 0.000 0.301 207 Q C -1.218 174.982 176.000 0.333 0.000 1.063 207 Q CA 0.162 56.213 55.803 0.414 0.000 0.947 207 Q CB 0.314 29.196 28.738 0.240 0.000 1.201 207 Q HN 0.447 nan 8.270 nan 0.000 0.389 208 F N 5.651 125.725 119.950 0.207 0.000 2.410 208 F HA 0.349 5.238 4.527 0.603 0.000 0.348 208 F C -0.562 175.313 175.800 0.126 0.000 1.106 208 F CA -0.681 57.408 58.000 0.148 0.000 1.163 208 F CB 0.613 39.694 39.000 0.135 0.000 1.129 208 F HN 0.383 nan 8.300 nan 0.000 0.516 209 I N 7.875 128.153 120.570 -0.486 0.000 2.382 209 I HA 0.264 4.795 4.170 0.602 0.000 0.285 209 I C -2.475 173.375 176.117 -0.446 0.000 1.007 209 I CA -2.101 59.035 61.300 -0.274 0.000 1.142 209 I CB 1.202 39.111 38.000 -0.153 0.000 1.289 209 I HN 0.396 nan 8.210 nan 0.000 0.453 210 P HA 0.249 nan 4.420 nan 0.000 0.271 210 P C -0.332 176.925 177.300 -0.071 0.000 1.226 210 P CA 0.294 63.353 63.100 -0.068 0.000 0.765 210 P CB 0.807 32.587 31.700 0.133 0.000 0.835 211 S N 2.082 117.735 115.700 -0.078 0.000 2.688 211 S HA 0.661 5.492 4.470 0.602 0.000 0.266 211 S C -1.205 173.369 174.600 -0.044 0.000 1.061 211 S CA -1.224 56.940 58.200 -0.060 0.000 0.844 211 S CB 1.423 64.568 63.200 -0.091 0.000 1.103 211 S HN 0.602 nan 8.310 nan 0.000 0.471 212 R N -0.045 120.437 120.500 -0.031 0.000 2.888 212 R HA 0.801 5.502 4.340 0.602 0.000 0.264 212 R C -0.821 175.462 176.300 -0.029 0.000 1.045 212 R CA -1.227 54.860 56.100 -0.022 0.000 0.962 212 R CB 1.098 31.394 30.300 -0.006 0.000 1.210 212 R HN 0.662 nan 8.270 nan 0.000 0.479 213 R N 0.559 121.045 120.500 -0.024 0.000 2.560 213 R HA 0.317 5.018 4.340 0.602 0.000 0.270 213 R C -0.143 176.146 176.300 -0.018 0.000 1.074 213 R CA -0.595 55.490 56.100 -0.024 0.000 1.140 213 R CB 0.552 30.840 30.300 -0.020 0.000 1.073 213 R HN 0.376 nan 8.270 nan 0.000 0.527 214 L N 1.662 122.873 121.223 -0.022 0.000 2.439 214 L HA 0.090 4.791 4.340 0.602 0.000 0.269 214 L C 0.182 177.040 176.870 -0.020 0.000 1.179 214 L CA -0.076 54.749 54.840 -0.025 0.000 0.828 214 L CB 0.420 42.461 42.059 -0.031 0.000 1.106 214 L HN 0.466 nan 8.230 nan 0.000 0.467 215 D N 0.460 120.841 120.400 -0.030 0.000 2.312 215 D HA 0.107 5.108 4.640 0.602 0.000 0.248 215 D C 1.099 177.363 176.300 -0.061 0.000 1.086 215 D CA -0.278 53.705 54.000 -0.029 0.000 0.948 215 D CB 1.427 42.209 40.800 -0.030 0.000 1.162 215 D HN 0.529 nan 8.370 nan 0.000 0.446 216 T N 0.717 115.236 114.554 -0.059 0.000 2.699 216 T HA -0.223 4.488 4.350 0.602 0.000 0.268 216 T C 1.611 176.203 174.700 -0.180 0.000 1.036 216 T CA 1.692 63.728 62.100 -0.106 0.000 1.147 216 T CB -0.167 68.648 68.868 -0.088 0.000 0.862 216 T HN 0.612 nan 8.240 nan 0.000 0.446 217 E N 1.504 121.618 120.200 -0.143 0.000 2.333 217 E HA -0.172 4.540 4.350 0.602 0.000 0.198 217 E C 1.711 178.181 176.600 -0.216 0.000 1.007 217 E CA 1.128 57.427 56.400 -0.169 0.000 0.845 217 E CB -0.286 29.348 29.700 -0.109 0.000 0.766 217 E HN 0.572 nan 8.360 nan 0.000 0.507 218 E N 0.781 120.867 120.200 -0.191 0.000 2.299 218 E HA 0.012 4.723 4.350 0.602 0.000 0.193 218 E C 2.067 178.514 176.600 -0.254 0.000 0.998 218 E CA 0.175 56.468 56.400 -0.178 0.000 0.851 218 E CB 0.019 29.655 29.700 -0.107 0.000 0.795 218 E HN 0.319 nan 8.360 nan 0.000 0.492 219 L N 1.142 122.142 121.223 -0.372 0.000 2.129 219 L HA -0.205 4.496 4.340 0.602 0.000 0.212 219 L C 2.507 178.862 176.870 -0.858 0.000 1.087 219 L CA 1.442 55.961 54.840 -0.535 0.000 0.757 219 L CB -0.579 41.009 42.059 -0.785 0.000 0.896 219 L HN 0.214 nan 8.230 nan 0.000 0.434 220 S N -0.775 114.327 115.700 -0.997 0.000 2.496 220 S HA 0.048 4.879 4.470 0.602 0.000 0.224 220 S C 0.874 175.288 174.600 -0.311 0.000 0.996 220 S CA -0.221 57.429 58.200 -0.915 0.000 0.927 220 S CB -0.565 62.221 63.200 -0.690 0.000 0.774 220 S HN 0.226 nan 8.310 nan 0.000 0.524 221 L N 3.058 124.147 121.223 -0.223 0.000 2.584 221 L HA 0.109 4.810 4.340 0.602 0.000 0.272 221 L C -1.085 175.765 176.870 -0.033 0.000 1.195 221 L CA -1.353 53.425 54.840 -0.105 0.000 0.920 221 L CB 0.087 42.096 42.059 -0.084 0.000 1.173 221 L HN 0.081 nan 8.230 nan 0.000 0.489 222 P HA -0.192 nan 4.420 nan 0.000 0.216 222 P C 0.747 178.151 177.300 0.172 0.000 1.153 222 P CA 1.254 64.332 63.100 -0.036 0.000 0.858 222 P CB 0.255 31.831 31.700 -0.207 0.000 0.789 223 D N -0.808 119.646 120.400 0.090 0.000 2.144 223 D HA -0.110 4.891 4.640 0.602 0.000 0.199 223 D C 2.059 178.407 176.300 0.079 0.000 0.984 223 D CA 0.752 54.806 54.000 0.090 0.000 0.834 223 D CB -0.582 40.243 40.800 0.041 0.000 0.955 223 D HN 0.070 nan 8.370 nan 0.000 0.465 224 I N 1.060 121.665 120.570 0.058 0.000 2.142 224 I HA -0.221 4.311 4.170 0.602 0.000 0.240 224 I C 2.439 178.622 176.117 0.110 0.000 1.078 224 I CA 1.185 62.513 61.300 0.047 0.000 1.343 224 I CB -1.376 36.623 38.000 -0.002 0.000 1.046 224 I HN 0.021 nan 8.210 nan 0.000 0.405 225 S N 1.709 117.530 115.700 0.202 0.000 2.368 225 S HA -0.114 4.717 4.470 0.602 0.000 0.225 225 S C 2.284 177.020 174.600 0.227 0.000 1.030 225 S CA 1.027 59.467 58.200 0.400 0.000 0.999 225 S CB -0.826 62.763 63.200 0.649 0.000 0.844 225 S HN 0.416 nan 8.310 nan 0.000 0.459 226 A N 2.049 124.963 122.820 0.157 0.000 1.917 226 A HA -0.199 4.483 4.320 0.602 0.000 0.219 226 A C 2.228 179.746 177.584 -0.110 0.000 1.182 226 A CA 1.894 53.895 52.037 -0.060 0.000 0.633 226 A CB -0.883 18.125 19.000 0.014 0.000 0.819 226 A HN 0.729 nan 8.150 nan 0.000 0.448 227 E N -0.350 119.830 120.200 -0.035 0.000 2.107 227 E HA -0.103 4.608 4.350 0.602 0.000 0.191 227 E C 1.818 178.370 176.600 -0.081 0.000 0.982 227 E CA 0.939 57.306 56.400 -0.055 0.000 0.809 227 E CB -0.264 29.423 29.700 -0.021 0.000 0.756 227 E HN 0.627 nan 8.360 nan 0.000 0.459 228 I N 1.373 121.914 120.570 -0.048 0.000 2.208 228 I HA -0.310 4.221 4.170 0.602 0.000 0.245 228 I C 2.594 178.613 176.117 -0.163 0.000 1.097 228 I CA 1.216 62.475 61.300 -0.069 0.000 1.363 228 I CB -0.402 37.600 38.000 0.005 0.000 1.051 228 I HN 0.235 nan 8.210 nan 0.000 0.413 229 A N 0.424 122.981 122.820 -0.439 0.000 1.883 229 A HA -0.268 4.414 4.320 0.602 0.000 0.217 229 A C 2.231 179.640 177.584 -0.293 0.000 1.186 229 A CA 2.035 53.614 52.037 -0.763 0.000 0.624 229 A CB -0.677 17.538 19.000 -1.309 0.000 0.822 229 A HN 0.480 nan 8.150 nan 0.000 0.444 230 E N -0.453 119.600 120.200 -0.244 0.000 2.051 230 E HA -0.175 4.537 4.350 0.602 0.000 0.192 230 E C 2.060 178.586 176.600 -0.123 0.000 0.991 230 E CA 1.173 57.470 56.400 -0.172 0.000 0.799 230 E CB -0.093 29.528 29.700 -0.132 0.000 0.748 230 E HN 0.351 nan 8.360 nan 0.000 0.449 231 K N 0.488 120.830 120.400 -0.097 0.000 2.057 231 K HA -0.104 4.577 4.320 0.602 0.000 0.206 231 K C 2.097 178.676 176.600 -0.035 0.000 1.050 231 K CA 0.951 57.210 56.287 -0.048 0.000 0.935 231 K CB -0.323 32.150 32.500 -0.046 0.000 0.715 231 K HN 0.221 nan 8.250 nan 0.000 0.439 232 M N 0.451 119.991 119.600 -0.100 0.000 2.132 232 M HA -0.128 4.714 4.480 0.602 0.000 0.263 232 M C 2.089 178.264 176.300 -0.210 0.000 1.065 232 M CA 1.608 56.803 55.300 -0.175 0.000 1.122 232 M CB -0.121 32.386 32.600 -0.156 0.000 1.365 232 M HN 0.106 nan 8.290 nan 0.000 0.411 233 A N -0.086 122.653 122.820 -0.135 0.000 1.908 233 A HA -0.175 4.506 4.320 0.602 0.000 0.218 233 A C 2.059 179.658 177.584 0.025 0.000 1.181 233 A CA 2.410 54.312 52.037 -0.226 0.000 0.627 233 A CB -1.351 17.267 19.000 -0.637 0.000 0.818 233 A HN 0.593 nan 8.150 nan 0.000 0.445 234 T N -0.971 113.575 114.554 -0.013 0.000 2.674 234 T HA -0.146 4.565 4.350 0.602 0.000 0.265 234 T C 1.614 176.382 174.700 0.112 0.000 1.039 234 T CA 1.529 63.636 62.100 0.013 0.000 1.150 234 T CB -0.466 68.403 68.868 0.001 0.000 0.864 234 T HN 0.418 nan 8.240 nan 0.000 0.427 235 F N 1.452 121.406 119.950 0.006 0.000 2.115 235 F HA -0.239 4.641 4.527 0.588 0.000 0.300 235 F C 2.335 178.294 175.800 0.264 0.000 1.092 235 F CA 1.709 59.769 58.000 0.100 0.000 1.245 235 F CB -0.398 38.653 39.000 0.084 0.000 0.995 235 F HN 0.413 nan 8.300 nan 0.000 0.481 236 H N -2.103 117.216 119.070 0.414 0.000 2.495 236 H HA -0.003 4.918 4.556 0.608 0.000 0.287 236 H C 2.303 177.850 175.328 0.366 0.000 1.033 236 H CA 0.364 56.659 56.048 0.411 0.000 1.307 236 H CB -0.318 29.738 29.762 0.489 0.000 1.401 236 H HN 0.395 nan 8.280 nan 0.000 0.555 237 G N -0.068 108.913 108.800 0.303 0.000 2.777 237 G HA2 0.030 4.352 3.960 0.602 0.000 0.211 237 G HA3 0.030 4.352 3.960 0.602 0.000 0.211 237 G C 0.571 175.459 174.900 -0.020 0.000 1.149 237 G CA -0.315 44.803 45.100 0.030 0.000 0.785 237 G HN 0.126 nan 8.290 nan 0.000 0.536 238 M N 1.058 120.632 119.600 -0.044 0.000 2.245 238 M HA 0.181 5.023 4.480 0.602 0.000 0.344 238 M C -0.175 176.039 176.300 -0.144 0.000 1.170 238 M CA 0.606 55.809 55.300 -0.161 0.000 1.135 238 M CB 0.859 33.265 32.600 -0.323 0.000 1.574 238 M HN -0.073 nan 8.290 nan 0.000 0.452 239 K N 3.450 123.751 120.400 -0.165 0.000 2.211 239 K HA 0.506 5.187 4.320 0.602 0.000 0.275 239 K C -0.846 175.595 176.600 -0.265 0.000 1.024 239 K CA -0.366 55.847 56.287 -0.123 0.000 0.887 239 K CB 1.037 33.470 32.500 -0.112 0.000 1.084 239 K HN 0.480 nan 8.250 nan 0.000 0.463 240 M N 3.340 122.797 119.600 -0.238 0.000 2.602 240 M HA 0.289 5.130 4.480 0.602 0.000 0.312 240 M C -2.180 173.831 176.300 -0.481 0.000 1.181 240 M CA -2.679 52.313 55.300 -0.514 0.000 0.910 240 M CB 1.452 33.580 32.600 -0.786 0.000 1.723 240 M HN 0.315 nan 8.290 nan 0.000 0.459 241 P HA 0.210 nan 4.420 nan 0.000 0.246 241 P C -1.048 175.970 177.300 -0.470 0.000 1.686 241 P CA 0.319 63.080 63.100 -0.564 0.000 0.867 241 P CB -0.612 30.800 31.700 -0.480 0.000 1.733 242 F N -0.509 119.500 119.950 0.099 0.000 2.523 242 F HA 0.345 5.240 4.527 0.612 0.000 0.329 242 F C 1.083 176.933 175.800 0.084 0.000 1.061 242 F CA -2.172 55.917 58.000 0.149 0.000 0.967 242 F CB 0.095 39.255 39.000 0.267 0.000 1.218 242 F HN -0.177 nan 8.300 nan 0.000 0.480 243 N N 1.899 120.768 118.700 0.282 0.000 2.365 243 N HA -0.082 5.019 4.740 0.602 0.000 0.265 243 N C 0.543 176.059 175.510 0.011 0.000 1.288 243 N CA 0.350 53.462 53.050 0.103 0.000 0.869 243 N CB 0.609 39.160 38.487 0.108 0.000 1.071 243 N HN 0.492 nan 8.380 nan 0.000 0.480 244 K N 1.622 121.898 120.400 -0.205 0.000 2.444 244 K HA -0.043 4.639 4.320 0.602 0.000 0.193 244 K C 0.112 176.615 176.600 -0.161 0.000 1.024 244 K CA 0.090 56.110 56.287 -0.446 0.000 1.077 244 K CB 0.205 32.388 32.500 -0.528 0.000 0.833 244 K HN 0.556 nan 8.250 nan 0.000 0.517 245 E N 3.292 123.458 120.200 -0.058 0.000 2.259 245 E HA 0.049 4.760 4.350 0.602 0.000 0.281 245 E C -2.116 174.482 176.600 -0.003 0.000 1.037 245 E CA -2.259 54.127 56.400 -0.024 0.000 0.854 245 E CB 0.902 30.601 29.700 -0.002 0.000 1.051 245 E HN -0.117 nan 8.360 nan 0.000 0.409 246 P HA 0.077 nan 4.420 nan 0.000 0.228 246 P C -0.171 177.123 177.300 -0.010 0.000 1.748 246 P CA 0.130 63.130 63.100 -0.166 0.000 0.909 246 P CB -0.084 31.250 31.700 -0.610 0.000 1.882 247 K N -0.779 119.663 120.400 0.069 0.000 2.418 247 K HA -0.067 4.614 4.320 0.602 0.000 0.195 247 K C 1.515 178.175 176.600 0.099 0.000 1.035 247 K CA 0.298 56.641 56.287 0.092 0.000 1.003 247 K CB -1.387 31.150 32.500 0.061 0.000 0.793 247 K HN 0.270 nan 8.250 nan 0.000 0.494 248 W N 0.629 121.892 121.300 -0.061 0.000 2.315 248 W HA -0.255 4.369 4.660 -0.060 0.000 0.323 248 W C 1.643 178.067 176.519 -0.159 0.000 1.233 248 W CA 1.972 59.250 57.345 -0.112 0.000 1.267 248 W CB -0.420 28.954 29.460 -0.142 0.000 1.160 248 W HN 0.268 nan 8.180 nan 0.000 0.474 249 L N -0.012 121.241 121.223 0.049 0.000 1.955 249 L HA -0.193 4.509 4.340 0.602 0.000 0.213 249 L C 2.370 178.965 176.870 -0.459 0.000 1.072 249 L CA 2.222 56.907 54.840 -0.259 0.000 0.755 249 L CB -1.586 40.534 42.059 0.100 0.000 0.888 249 L HN 0.059 nan 8.230 nan 0.000 0.432 250 F N -0.283 119.580 119.950 -0.145 0.000 2.259 250 F HA 0.028 4.904 4.527 0.582 0.000 0.298 250 F C 2.388 178.055 175.800 -0.221 0.000 1.088 250 F CA 1.105 59.009 58.000 -0.160 0.000 1.358 250 F CB -1.063 37.894 39.000 -0.071 0.000 1.040 250 F HN 0.223 nan 8.300 nan 0.000 0.505 251 G N -0.575 108.169 108.800 -0.094 0.000 2.440 251 G HA2 -0.242 4.079 3.960 0.602 0.000 0.218 251 G HA3 -0.242 4.079 3.960 0.602 0.000 0.218 251 G C 1.701 176.378 174.900 -0.373 0.000 1.154 251 G CA 1.612 46.602 45.100 -0.182 0.000 0.767 251 G HN 0.285 nan 8.290 nan 0.000 0.552 252 T N 1.176 115.341 114.554 -0.649 0.000 2.737 252 T HA -0.058 4.653 4.350 0.602 0.000 0.265 252 T C 2.518 176.725 174.700 -0.822 0.000 1.038 252 T CA 1.308 62.852 62.100 -0.926 0.000 1.144 252 T CB -0.211 67.817 68.868 -1.400 0.000 0.866 252 T HN 0.166 nan 8.240 nan 0.000 0.434 253 M N 0.797 120.050 119.600 -0.579 0.000 2.117 253 M HA -0.109 4.732 4.480 0.602 0.000 0.262 253 M C 2.395 178.616 176.300 -0.133 0.000 1.065 253 M CA 1.612 56.736 55.300 -0.293 0.000 1.114 253 M CB -0.434 31.972 32.600 -0.324 0.000 1.361 253 M HN 0.317 nan 8.290 nan 0.000 0.408 254 E N 0.220 120.336 120.200 -0.139 0.000 2.077 254 E HA -0.236 4.475 4.350 0.602 0.000 0.193 254 E C 1.961 178.520 176.600 -0.068 0.000 0.989 254 E CA 1.279 57.649 56.400 -0.050 0.000 0.800 254 E CB -0.126 29.558 29.700 -0.027 0.000 0.746 254 E HN 0.380 nan 8.360 nan 0.000 0.452 255 K N 0.252 120.546 120.400 -0.177 0.000 2.001 255 K HA -0.223 4.458 4.320 0.602 0.000 0.214 255 K C 1.987 178.572 176.600 -0.026 0.000 1.050 255 K CA 1.688 57.878 56.287 -0.161 0.000 0.934 255 K CB -0.179 32.130 32.500 -0.318 0.000 0.718 255 K HN 0.091 nan 8.250 nan 0.000 0.443 256 Y N 0.733 121.015 120.300 -0.029 0.000 2.242 256 Y HA -0.161 4.764 4.550 0.625 0.000 0.291 256 Y C 2.144 178.060 175.900 0.027 0.000 1.137 256 Y CA 0.673 58.776 58.100 0.004 0.000 1.181 256 Y CB -0.930 37.547 38.460 0.028 0.000 0.989 256 Y HN 0.137 nan 8.280 nan 0.000 0.527 257 L N 0.881 122.220 121.223 0.193 0.000 2.012 257 L HA -0.207 4.494 4.340 0.602 0.000 0.210 257 L C 2.436 179.363 176.870 0.095 0.000 1.073 257 L CA 2.018 56.949 54.840 0.152 0.000 0.748 257 L CB -0.833 41.322 42.059 0.160 0.000 0.891 257 L HN 0.149 nan 8.230 nan 0.000 0.431 258 K N -0.663 119.778 120.400 0.068 0.000 2.034 258 K HA -0.263 4.418 4.320 0.602 0.000 0.214 258 K C 2.072 178.693 176.600 0.035 0.000 1.051 258 K CA 2.034 58.346 56.287 0.041 0.000 0.931 258 K CB -0.288 32.226 32.500 0.022 0.000 0.715 258 K HN 0.447 nan 8.250 nan 0.000 0.446 259 E N 0.283 120.513 120.200 0.049 0.000 2.049 259 E HA -0.190 4.522 4.350 0.602 0.000 0.198 259 E C 2.123 178.723 176.600 0.000 0.000 1.007 259 E CA 1.587 58.003 56.400 0.025 0.000 0.809 259 E CB -0.234 29.496 29.700 0.050 0.000 0.749 259 E HN 0.185 nan 8.360 nan 0.000 0.450 260 V N 1.676 121.608 119.914 0.029 0.000 2.282 260 V HA -0.273 4.208 4.120 0.602 0.000 0.249 260 V C 2.485 178.573 176.094 -0.010 0.000 1.057 260 V CA 1.609 63.916 62.300 0.012 0.000 1.032 260 V CB -0.521 31.337 31.823 0.058 0.000 0.645 260 V HN 0.266 nan 8.190 nan 0.000 0.447 261 L N -0.751 120.479 121.223 0.011 0.000 2.456 261 L HA -0.088 4.613 4.340 0.602 0.000 0.224 261 L C 2.407 179.267 176.870 -0.017 0.000 1.148 261 L CA 1.135 55.979 54.840 0.006 0.000 0.825 261 L CB -0.480 41.592 42.059 0.021 0.000 0.937 261 L HN 0.252 nan 8.230 nan 0.000 0.450 262 R N -0.505 119.974 120.500 -0.035 0.000 2.312 262 R HA 0.238 4.939 4.340 0.602 0.000 0.205 262 R C 0.470 176.708 176.300 -0.103 0.000 0.904 262 R CA -0.139 55.929 56.100 -0.053 0.000 1.052 262 R CB 0.306 30.581 30.300 -0.042 0.000 1.014 262 R HN 0.228 nan 8.270 nan 0.000 0.503 263 I N 1.503 121.981 120.570 -0.153 0.000 2.529 263 I HA 0.033 4.564 4.170 0.602 0.000 0.284 263 I C 0.386 176.305 176.117 -0.330 0.000 1.082 263 I CA 0.254 61.371 61.300 -0.305 0.000 1.406 263 I CB 0.680 38.407 38.000 -0.455 0.000 1.405 263 I HN -0.212 nan 8.210 nan 0.000 0.548 264 K N 6.888 127.054 120.400 -0.389 0.000 2.579 264 K HA 0.400 5.082 4.320 0.602 0.000 0.250 264 K C -1.434 174.982 176.600 -0.307 0.000 0.952 264 K CA -0.543 55.590 56.287 -0.258 0.000 0.857 264 K CB 1.189 33.619 32.500 -0.116 0.000 1.123 264 K HN 0.213 nan 8.250 nan 0.000 0.433 265 F N 0.548 120.476 119.950 -0.038 0.000 2.378 265 F HA 0.201 5.089 4.527 0.601 0.000 0.325 265 F C 2.021 177.803 175.800 -0.030 0.000 1.097 265 F CA -0.306 57.672 58.000 -0.036 0.000 1.079 265 F CB 1.604 40.574 39.000 -0.051 0.000 1.240 265 F HN 0.584 nan 8.300 nan 0.000 0.519 266 T N -3.237 111.439 114.554 0.204 0.000 3.023 266 T HA 0.078 4.789 4.350 0.602 0.000 0.249 266 T C 0.481 175.225 174.700 0.072 0.000 1.050 266 T CA 0.059 62.220 62.100 0.101 0.000 1.088 266 T CB -0.025 68.887 68.868 0.072 0.000 0.946 266 T HN 0.436 nan 8.240 nan 0.000 0.480 267 E N 1.614 121.855 120.200 0.068 0.000 2.283 267 E HA 0.150 4.861 4.350 0.602 0.000 0.278 267 E C 0.687 177.276 176.600 -0.017 0.000 1.027 267 E CA -0.124 56.283 56.400 0.010 0.000 0.843 267 E CB 1.619 31.311 29.700 -0.014 0.000 1.062 267 E HN 0.487 nan 8.360 nan 0.000 0.401 268 E N 2.549 122.737 120.200 -0.020 0.000 2.058 268 E HA -0.194 4.517 4.350 0.602 0.000 0.194 268 E C 1.557 178.128 176.600 -0.049 0.000 0.997 268 E CA 1.308 57.694 56.400 -0.023 0.000 0.801 268 E CB 0.111 29.803 29.700 -0.014 0.000 0.746 268 E HN 0.484 nan 8.360 nan 0.000 0.450 269 S N -0.211 115.453 115.700 -0.061 0.000 2.370 269 S HA -0.156 4.675 4.470 0.602 0.000 0.226 269 S C 1.940 176.470 174.600 -0.116 0.000 1.033 269 S CA 1.328 59.486 58.200 -0.069 0.000 1.011 269 S CB -0.115 63.048 63.200 -0.062 0.000 0.852 269 S HN 0.238 nan 8.310 nan 0.000 0.457 270 R N 0.199 120.574 120.500 -0.208 0.000 2.092 270 R HA 0.093 4.794 4.340 0.602 0.000 0.231 270 R C 2.279 178.412 176.300 -0.279 0.000 1.119 270 R CA 1.466 57.308 56.100 -0.430 0.000 0.970 270 R CB -0.407 29.352 30.300 -0.900 0.000 0.864 270 R HN 0.439 nan 8.270 nan 0.000 0.440 271 I N 0.936 121.430 120.570 -0.127 0.000 2.127 271 I HA -0.328 4.203 4.170 0.602 0.000 0.241 271 I C 2.150 178.128 176.117 -0.231 0.000 1.075 271 I CA 1.481 62.710 61.300 -0.118 0.000 1.334 271 I CB -0.165 37.781 38.000 -0.090 0.000 1.040 271 I HN 0.040 nan 8.210 nan 0.000 0.405 272 K N 0.926 121.256 120.400 -0.117 0.000 2.057 272 K HA -0.170 4.511 4.320 0.602 0.000 0.207 272 K C 2.041 178.620 176.600 -0.035 0.000 1.049 272 K CA 1.433 57.689 56.287 -0.051 0.000 0.931 272 K CB -0.074 32.415 32.500 -0.019 0.000 0.714 272 K HN 0.182 nan 8.250 nan 0.000 0.440 273 K N 0.062 120.434 120.400 -0.047 0.000 2.057 273 K HA -0.153 4.529 4.320 0.602 0.000 0.207 273 K C 1.979 178.577 176.600 -0.004 0.000 1.049 273 K CA 1.213 57.489 56.287 -0.018 0.000 0.931 273 K CB -0.236 32.253 32.500 -0.019 0.000 0.714 273 K HN 0.021 nan 8.250 nan 0.000 0.440 274 L N 0.976 122.200 121.223 0.002 0.000 2.017 274 L HA -0.182 4.519 4.340 0.602 0.000 0.208 274 L C 1.924 178.824 176.870 0.049 0.000 1.073 274 L CA 1.900 56.779 54.840 0.065 0.000 0.745 274 L CB -0.595 41.577 42.059 0.188 0.000 0.894 274 L HN 0.246 nan 8.230 nan 0.000 0.432 275 H N -0.979 118.093 119.070 0.004 0.000 2.422 275 H HA -0.188 4.729 4.556 0.601 0.000 0.298 275 H C 2.163 177.414 175.328 -0.127 0.000 1.098 275 H CA 1.239 57.258 56.048 -0.048 0.000 1.315 275 H CB 0.108 29.853 29.762 -0.028 0.000 1.382 275 H HN 0.354 nan 8.280 nan 0.000 0.523 276 K N 1.153 121.537 120.400 -0.027 0.000 2.026 276 K HA -0.153 4.528 4.320 0.602 0.000 0.208 276 K C 2.022 178.355 176.600 -0.445 0.000 1.048 276 K CA 1.136 57.306 56.287 -0.194 0.000 0.929 276 K CB -0.050 32.372 32.500 -0.130 0.000 0.713 276 K HN 0.218 nan 8.250 nan 0.000 0.439 277 L N 0.958 122.005 121.223 -0.293 0.000 2.046 277 L HA -0.194 4.507 4.340 0.602 0.000 0.208 277 L C 2.402 179.085 176.870 -0.312 0.000 1.077 277 L CA 1.021 55.656 54.840 -0.342 0.000 0.747 277 L CB -0.333 41.621 42.059 -0.174 0.000 0.896 277 L HN 0.234 nan 8.230 nan 0.000 0.432 278 L N -0.464 120.660 121.223 -0.164 0.000 2.083 278 L HA -0.189 4.512 4.340 0.602 0.000 0.209 278 L C 2.784 179.594 176.870 -0.101 0.000 1.083 278 L CA 1.409 56.201 54.840 -0.081 0.000 0.752 278 L CB -0.657 41.410 42.059 0.013 0.000 0.899 278 L HN 0.420 nan 8.230 nan 0.000 0.433 279 S N -0.936 114.646 115.700 -0.196 0.000 2.493 279 S HA -0.203 4.628 4.470 0.602 0.000 0.243 279 S C 1.650 176.183 174.600 -0.111 0.000 0.991 279 S CA 0.790 58.882 58.200 -0.181 0.000 0.957 279 S CB -0.532 62.526 63.200 -0.235 0.000 0.756 279 S HN 0.413 nan 8.310 nan 0.000 0.521 280 Y N 1.713 121.998 120.300 -0.025 0.000 2.546 280 Y HA 0.314 5.225 4.550 0.602 0.000 0.287 280 Y C 1.165 177.108 175.900 0.072 0.000 1.158 280 Y CA -0.680 57.433 58.100 0.022 0.000 1.307 280 Y CB -0.804 37.696 38.460 0.065 0.000 1.036 280 Y HN 0.307 nan 8.280 nan 0.000 0.532 281 N N 0.620 119.422 118.700 0.170 0.000 2.610 281 N HA -0.205 4.896 4.740 0.602 0.000 0.271 281 N C 0.380 176.008 175.510 0.195 0.000 1.146 281 N CA 0.309 53.445 53.050 0.143 0.000 0.711 281 N CB -1.054 37.506 38.487 0.122 0.000 0.883 281 N HN 0.401 nan 8.380 nan 0.000 0.548 282 L N 1.446 122.772 121.223 0.171 0.000 2.046 282 L HA -0.095 4.606 4.340 0.602 0.000 0.208 282 L C -0.512 176.532 176.870 0.290 0.000 1.077 282 L CA 1.284 56.275 54.840 0.251 0.000 0.747 282 L CB -1.111 41.032 42.059 0.139 0.000 0.896 282 L HN 0.355 nan 8.230 nan 0.000 0.432 283 P HA -0.203 nan 4.420 nan 0.000 0.215 283 P C 1.774 179.148 177.300 0.123 0.000 1.153 283 P CA 1.163 64.347 63.100 0.141 0.000 0.853 283 P CB 0.056 31.812 31.700 0.094 0.000 0.788 284 L N 0.037 121.336 121.223 0.126 0.000 2.056 284 L HA -0.114 4.587 4.340 0.602 0.000 0.207 284 L C 2.193 179.145 176.870 0.135 0.000 1.078 284 L CA 2.009 56.915 54.840 0.111 0.000 0.749 284 L CB -1.408 40.716 42.059 0.108 0.000 0.901 284 L HN -0.181 nan 8.230 nan 0.000 0.433 285 E N -0.511 119.817 120.200 0.213 0.000 2.110 285 E HA -0.233 4.478 4.350 0.602 0.000 0.193 285 E C 2.061 178.700 176.600 0.065 0.000 0.988 285 E CA 1.389 57.946 56.400 0.263 0.000 0.804 285 E CB -0.501 29.475 29.700 0.460 0.000 0.745 285 E HN 0.428 nan 8.360 nan 0.000 0.458 286 L N 0.704 121.913 121.223 -0.023 0.000 2.093 286 L HA -0.112 4.589 4.340 0.602 0.000 0.208 286 L C 1.806 178.636 176.870 -0.065 0.000 1.085 286 L CA 1.739 56.400 54.840 -0.298 0.000 0.755 286 L CB -0.375 41.594 42.059 -0.150 0.000 0.904 286 L HN 0.029 nan 8.230 nan 0.000 0.435 287 E N 0.044 120.245 120.200 0.002 0.000 2.077 287 E HA -0.166 4.545 4.350 0.602 0.000 0.193 287 E C 1.991 178.582 176.600 -0.014 0.000 0.989 287 E CA 1.062 57.458 56.400 -0.007 0.000 0.800 287 E CB -0.552 29.150 29.700 0.003 0.000 0.746 287 E HN 0.565 nan 8.360 nan 0.000 0.452 288 N N 1.032 119.744 118.700 0.021 0.000 2.069 288 N HA -0.172 4.929 4.740 0.602 0.000 0.191 288 N C 1.925 177.442 175.510 0.012 0.000 1.031 288 N CA 0.723 53.792 53.050 0.031 0.000 0.852 288 N CB -0.614 37.927 38.487 0.090 0.000 1.018 288 N HN 0.120 nan 8.380 nan 0.000 0.423 289 L N 1.644 122.875 121.223 0.012 0.000 2.046 289 L HA -0.077 4.624 4.340 0.602 0.000 0.208 289 L C 2.379 179.277 176.870 0.046 0.000 1.077 289 L CA 1.561 56.408 54.840 0.013 0.000 0.747 289 L CB -0.542 41.468 42.059 -0.081 0.000 0.896 289 L HN 0.088 nan 8.230 nan 0.000 0.432 290 R N -1.026 119.502 120.500 0.046 0.000 2.103 290 R HA -0.172 4.529 4.340 0.602 0.000 0.242 290 R C 2.197 178.366 176.300 -0.219 0.000 1.142 290 R CA 1.823 57.777 56.100 -0.244 0.000 0.960 290 R CB -0.236 29.774 30.300 -0.482 0.000 0.858 290 R HN 0.482 nan 8.270 nan 0.000 0.439 291 S N 0.905 116.526 115.700 -0.132 0.000 2.355 291 S HA -0.102 4.729 4.470 0.602 0.000 0.222 291 S C 1.911 176.447 174.600 -0.108 0.000 1.031 291 S CA 1.274 59.408 58.200 -0.110 0.000 0.993 291 S CB -0.206 62.952 63.200 -0.070 0.000 0.859 291 S HN 0.270 nan 8.310 nan 0.000 0.453 292 L N 1.107 122.272 121.223 -0.098 0.000 2.042 292 L HA -0.109 4.592 4.340 0.602 0.000 0.210 292 L C 2.185 178.947 176.870 -0.179 0.000 1.076 292 L CA 1.131 55.901 54.840 -0.117 0.000 0.749 292 L CB -0.652 41.340 42.059 -0.112 0.000 0.893 292 L HN 0.272 nan 8.230 nan 0.000 0.432 293 L N -0.992 120.094 121.223 -0.228 0.000 2.240 293 L HA -0.090 4.611 4.340 0.602 0.000 0.211 293 L C 2.683 179.402 176.870 -0.252 0.000 1.106 293 L CA 0.470 55.090 54.840 -0.367 0.000 0.793 293 L CB -0.538 41.259 42.059 -0.436 0.000 0.927 293 L HN 0.283 nan 8.230 nan 0.000 0.446 294 E N 0.899 120.981 120.200 -0.197 0.000 2.097 294 E HA -0.242 4.469 4.350 0.602 0.000 0.196 294 E C 1.945 178.492 176.600 -0.089 0.000 1.000 294 E CA 1.844 58.160 56.400 -0.140 0.000 0.804 294 E CB 0.077 29.697 29.700 -0.134 0.000 0.740 294 E HN 0.478 nan 8.360 nan 0.000 0.454 295 S N -0.778 114.869 115.700 -0.088 0.000 2.634 295 S HA 0.094 4.925 4.470 0.602 0.000 0.221 295 S C 0.223 174.801 174.600 -0.037 0.000 0.952 295 S CA -0.348 57.820 58.200 -0.052 0.000 0.930 295 S CB 0.242 63.413 63.200 -0.048 0.000 0.780 295 S HN -0.065 nan 8.310 nan 0.000 0.498 296 T N 4.586 119.112 114.554 -0.047 0.000 2.963 296 T HA 0.445 5.156 4.350 0.602 0.000 0.343 296 T C -2.944 171.813 174.700 0.096 0.000 1.146 296 T CA -1.314 60.793 62.100 0.011 0.000 1.016 296 T CB 1.157 69.993 68.868 -0.052 0.000 1.046 296 T HN 0.138 nan 8.240 nan 0.000 0.496 297 P HA 0.332 nan 4.420 nan 0.000 0.267 297 P C -0.521 176.854 177.300 0.124 0.000 1.205 297 P CA -0.066 63.093 63.100 0.099 0.000 0.765 297 P CB 0.574 32.319 31.700 0.074 0.000 0.828 298 S N 3.061 118.835 115.700 0.123 0.000 2.603 298 S HA 0.490 5.321 4.470 0.602 0.000 0.274 298 S C -2.939 171.728 174.600 0.111 0.000 1.168 298 S CA -1.466 56.766 58.200 0.053 0.000 0.963 298 S CB 0.769 63.882 63.200 -0.144 0.000 1.078 298 S HN 0.130 nan 8.310 nan 0.000 0.477 299 P HA 0.144 nan 4.420 nan 0.000 0.266 299 P C -0.744 176.572 177.300 0.027 0.000 1.195 299 P CA -0.264 62.862 63.100 0.043 0.000 0.768 299 P CB 0.368 32.061 31.700 -0.011 0.000 0.838 300 V N 4.028 123.972 119.914 0.049 0.000 2.385 300 V HA 0.302 4.783 4.120 0.602 0.000 0.269 300 V C 0.847 177.008 176.094 0.111 0.000 1.043 300 V CA -0.215 62.090 62.300 0.008 0.000 0.906 300 V CB 0.951 32.761 31.823 -0.021 0.000 0.995 300 V HN 0.502 nan 8.190 nan 0.000 0.467 301 V N 2.208 122.153 119.914 0.052 0.000 3.158 301 V HA 0.649 5.131 4.120 0.602 0.000 0.311 301 V C -0.713 175.353 176.094 -0.048 0.000 1.181 301 V CA -1.172 61.189 62.300 0.103 0.000 1.054 301 V CB 2.078 33.873 31.823 -0.046 0.000 1.085 301 V HN 0.511 nan 8.190 nan 0.000 0.446 302 F N 2.081 121.857 119.950 -0.290 0.000 2.434 302 F HA 0.613 5.502 4.527 0.604 0.000 0.358 302 F C 0.185 175.980 175.800 -0.009 0.000 1.136 302 F CA -0.547 57.124 58.000 -0.548 0.000 1.157 302 F CB -0.316 38.284 39.000 -0.666 0.000 1.167 302 F HN 0.656 nan 8.300 nan 0.000 0.539 303 C N 6.310 125.294 119.300 -0.526 0.000 2.365 303 C HA 0.175 4.996 4.460 0.602 0.000 0.351 303 C C 1.922 176.845 174.990 -0.113 0.000 1.240 303 C CA -0.536 58.411 59.018 -0.118 0.000 2.062 303 C CB 0.885 28.520 27.740 -0.176 0.000 2.387 303 C HN 0.891 nan 8.230 nan 0.000 0.537 304 H N 1.996 121.078 119.070 0.020 0.000 2.357 304 H HA -0.074 4.846 4.556 0.607 0.000 0.301 304 H C 1.189 176.495 175.328 -0.036 0.000 1.082 304 H CA 2.410 58.409 56.048 -0.082 0.000 1.342 304 H CB 0.118 29.660 29.762 -0.366 0.000 1.389 304 H HN 0.923 nan 8.280 nan 0.000 0.511 305 N N -0.424 118.379 118.700 0.172 0.000 2.965 305 N HA -0.213 4.888 4.740 0.602 0.000 0.232 305 N C -0.644 175.133 175.510 0.446 0.000 0.913 305 N CA 0.958 54.159 53.050 0.252 0.000 0.981 305 N CB -0.815 37.539 38.487 -0.220 0.000 1.077 305 N HN 0.364 nan 8.380 nan 0.000 0.589 306 D N -0.077 120.620 120.400 0.494 0.000 3.118 306 D HA 0.189 5.190 4.640 0.602 0.000 0.352 306 D C -1.043 175.375 176.300 0.197 0.000 1.498 306 D CA -0.327 53.874 54.000 0.335 0.000 0.759 306 D CB -0.228 40.750 40.800 0.298 0.000 1.251 306 D HN 0.299 nan 8.370 nan 0.000 0.504 307 C N 2.840 122.163 119.300 0.039 0.000 2.896 307 C HA 0.365 5.186 4.460 0.602 0.000 0.499 307 C C 0.448 175.458 174.990 0.033 0.000 1.022 307 C CA -0.234 58.663 59.018 -0.201 0.000 1.127 307 C CB -2.220 25.368 27.740 -0.252 0.000 1.452 307 C HN 0.392 nan 8.230 nan 0.000 0.580 308 Q N 2.451 122.249 119.800 -0.003 0.000 2.241 308 Q HA 0.411 5.112 4.340 0.602 0.000 0.262 308 Q C 1.226 177.252 176.000 0.042 0.000 1.014 308 Q CA -0.480 55.361 55.803 0.063 0.000 0.885 308 Q CB 0.781 29.541 28.738 0.037 0.000 1.311 308 Q HN 0.532 nan 8.270 nan 0.000 0.461 309 E N 1.597 121.839 120.200 0.070 0.000 2.114 309 E HA -0.239 4.472 4.350 0.602 0.000 0.199 309 E C 1.400 178.005 176.600 0.008 0.000 1.008 309 E CA 1.957 58.376 56.400 0.032 0.000 0.810 309 E CB -0.933 28.778 29.700 0.018 0.000 0.739 309 E HN 0.919 nan 8.360 nan 0.000 0.456 310 G N 0.832 109.644 108.800 0.020 0.000 2.586 310 G HA2 -0.192 4.130 3.960 0.602 0.000 0.215 310 G HA3 -0.192 4.130 3.960 0.602 0.000 0.215 310 G C 1.125 176.002 174.900 -0.040 0.000 1.128 310 G CA 0.465 45.561 45.100 -0.007 0.000 0.774 310 G HN 0.191 nan 8.290 nan 0.000 0.543 311 N N -0.135 118.532 118.700 -0.054 0.000 2.235 311 N HA 0.255 5.356 4.740 0.602 0.000 0.231 311 N C -0.418 175.021 175.510 -0.118 0.000 1.177 311 N CA -0.037 52.962 53.050 -0.084 0.000 0.874 311 N CB 1.023 39.469 38.487 -0.069 0.000 1.097 311 N HN 0.234 nan 8.380 nan 0.000 0.518 312 I N 1.404 121.923 120.570 -0.085 0.000 2.447 312 I HA 0.309 4.840 4.170 0.602 0.000 0.287 312 I C -0.467 175.616 176.117 -0.056 0.000 1.023 312 I CA -0.596 60.655 61.300 -0.081 0.000 1.083 312 I CB 2.087 40.045 38.000 -0.069 0.000 1.245 312 I HN -0.320 nan 8.210 nan 0.000 0.434 313 L N 6.249 127.440 121.223 -0.053 0.000 2.292 313 L HA 0.389 5.090 4.340 0.602 0.000 0.284 313 L C -0.397 176.452 176.870 -0.035 0.000 1.065 313 L CA -0.720 54.092 54.840 -0.047 0.000 0.806 313 L CB 1.472 43.499 42.059 -0.053 0.000 1.175 313 L HN 0.434 nan 8.230 nan 0.000 0.431 314 L N 5.302 126.506 121.223 -0.031 0.000 2.261 314 L HA 0.351 5.052 4.340 0.602 0.000 0.289 314 L C -0.423 176.434 176.870 -0.021 0.000 1.059 314 L CA 0.088 54.914 54.840 -0.023 0.000 0.816 314 L CB 0.638 42.686 42.059 -0.019 0.000 1.191 314 L HN 0.410 nan 8.230 nan 0.000 0.431 315 L N 5.567 126.781 121.223 -0.016 0.000 2.315 315 L HA 0.267 4.968 4.340 0.602 0.000 0.283 315 L C 0.611 177.480 176.870 -0.003 0.000 1.089 315 L CA -0.440 54.392 54.840 -0.014 0.000 0.833 315 L CB 0.475 42.529 42.059 -0.007 0.000 1.170 315 L HN 0.670 nan 8.230 nan 0.000 0.442 316 E N 2.837 123.038 120.200 0.001 0.000 2.442 316 E HA 0.273 4.984 4.350 0.602 0.000 0.262 316 E C 0.986 177.597 176.600 0.019 0.000 1.004 316 E CA 0.363 56.771 56.400 0.013 0.000 0.928 316 E CB 0.686 30.401 29.700 0.025 0.000 0.937 316 E HN 0.785 nan 8.360 nan 0.000 0.446 317 G N 3.833 112.644 108.800 0.018 0.000 2.284 317 G HA2 -0.300 4.021 3.960 0.602 0.000 0.216 317 G HA3 -0.300 4.021 3.960 0.602 0.000 0.216 317 G C 0.734 175.642 174.900 0.014 0.000 1.009 317 G CA 0.164 45.275 45.100 0.019 0.000 0.625 317 G HN 0.660 nan 8.290 nan 0.000 0.501 318 R N 0.139 120.645 120.500 0.010 0.000 2.662 318 R HA 0.648 5.349 4.340 0.602 0.000 0.396 318 R C 0.985 177.288 176.300 0.004 0.000 1.096 318 R CA 0.953 57.057 56.100 0.008 0.000 1.081 318 R CB -0.195 30.109 30.300 0.007 0.000 1.382 318 R HN 0.450 nan 8.270 nan 0.000 0.580 319 E N 1.378 121.581 120.200 0.004 0.000 2.515 319 E HA -0.046 4.666 4.350 0.602 0.000 0.201 319 E C 1.003 177.604 176.600 0.001 0.000 1.071 319 E CA 0.720 57.120 56.400 0.001 0.000 0.880 319 E CB -0.607 29.093 29.700 0.000 0.000 0.828 319 E HN 0.488 nan 8.360 nan 0.000 0.540 320 N N -0.389 118.313 118.700 0.003 0.000 2.220 320 N HA 0.022 5.123 4.740 0.602 0.000 0.195 320 N C 0.518 176.031 175.510 0.004 0.000 1.123 320 N CA 0.236 53.288 53.050 0.004 0.000 0.874 320 N CB 0.698 39.188 38.487 0.005 0.000 0.995 320 N HN 0.301 nan 8.380 nan 0.000 0.498 321 S N 0.805 116.507 115.700 0.004 0.000 2.562 321 S HA 0.018 4.849 4.470 0.602 0.000 0.281 321 S C 1.164 175.766 174.600 0.004 0.000 1.333 321 S CA -0.125 58.077 58.200 0.004 0.000 1.052 321 S CB 1.603 64.805 63.200 0.003 0.000 0.884 321 S HN 0.222 nan 8.310 nan 0.000 0.506 322 E N 2.636 122.839 120.200 0.005 0.000 2.140 322 E HA 0.098 4.809 4.350 0.602 0.000 0.191 322 E C 0.986 177.591 176.600 0.008 0.000 0.973 322 E CA 0.570 56.975 56.400 0.008 0.000 0.829 322 E CB 0.097 29.804 29.700 0.011 0.000 0.781 322 E HN 0.706 nan 8.360 nan 0.000 0.466 323 K N -0.657 119.744 120.400 0.002 0.000 2.438 323 K HA 0.167 4.848 4.320 0.602 0.000 0.206 323 K C -0.098 176.496 176.600 -0.010 0.000 1.081 323 K CA -0.029 56.255 56.287 -0.005 0.000 1.053 323 K CB 1.193 33.688 32.500 -0.008 0.000 0.908 323 K HN -0.111 nan 8.250 nan 0.000 0.556 324 Q N 1.127 120.923 119.800 -0.006 0.000 2.928 324 Q HA 0.112 4.813 4.340 0.602 0.000 0.353 324 Q C -0.197 175.801 176.000 -0.003 0.000 0.870 324 Q CA 0.003 55.802 55.803 -0.006 0.000 0.963 324 Q CB 1.116 29.851 28.738 -0.005 0.000 1.419 324 Q HN 0.296 nan 8.270 nan 0.000 0.396 325 K N -0.828 119.569 120.400 -0.004 0.000 2.402 325 K HA 0.339 5.020 4.320 0.602 0.000 0.204 325 K C 0.283 176.878 176.600 -0.008 0.000 1.056 325 K CA -0.056 56.228 56.287 -0.004 0.000 1.069 325 K CB 0.947 33.445 32.500 -0.003 0.000 0.888 325 K HN 0.053 nan 8.250 nan 0.000 0.546 326 L N 1.443 122.660 121.223 -0.010 0.000 2.341 326 L HA 0.610 5.311 4.340 0.602 0.000 0.267 326 L C -0.810 176.056 176.870 -0.007 0.000 1.009 326 L CA -1.169 53.663 54.840 -0.014 0.000 0.819 326 L CB 2.105 44.151 42.059 -0.021 0.000 1.323 326 L HN 0.085 nan 8.230 nan 0.000 0.425 327 M N 2.638 122.234 119.600 -0.008 0.000 2.393 327 M HA 0.512 5.353 4.480 0.602 0.000 0.299 327 M C -1.813 174.489 176.300 0.003 0.000 1.103 327 M CA -0.555 54.755 55.300 0.017 0.000 0.910 327 M CB 2.140 34.757 32.600 0.028 0.000 1.659 327 M HN 0.460 nan 8.290 nan 0.000 0.445 328 L N 6.272 127.521 121.223 0.044 0.000 2.305 328 L HA 0.561 5.263 4.340 0.602 0.000 0.281 328 L C -0.231 176.648 176.870 0.015 0.000 1.085 328 L CA -0.557 54.278 54.840 -0.008 0.000 0.813 328 L CB 0.753 42.797 42.059 -0.025 0.000 1.157 328 L HN 0.734 nan 8.230 nan 0.000 0.436 329 I N -1.847 118.571 120.570 -0.252 0.000 3.457 329 I HA 0.611 5.142 4.170 0.602 0.000 0.307 329 I C -0.958 174.725 176.117 -0.722 0.000 1.138 329 I CA -0.882 60.061 61.300 -0.596 0.000 0.974 329 I CB 1.856 39.718 38.000 -0.230 0.000 1.324 329 I HN 0.373 nan 8.210 nan 0.000 0.485 330 D N 1.393 121.375 120.400 -0.696 0.000 2.990 330 D HA -0.187 4.814 4.640 0.602 0.000 0.245 330 D C -0.665 175.396 176.300 -0.398 0.000 1.120 330 D CA 0.895 54.688 54.000 -0.345 0.000 0.838 330 D CB -1.057 39.669 40.800 -0.124 0.000 1.000 330 D HN 0.525 nan 8.370 nan 0.000 0.420 331 F N -0.543 119.434 119.950 0.044 0.000 2.873 331 F HA 0.330 5.214 4.527 0.594 0.000 0.289 331 F C 2.087 177.842 175.800 -0.074 0.000 1.206 331 F CA 0.404 58.347 58.000 -0.095 0.000 1.401 331 F CB -0.612 38.499 39.000 0.185 0.000 0.996 331 F HN 0.203 nan 8.300 nan 0.000 0.511 332 E N -0.663 119.530 120.200 -0.012 0.000 2.230 332 E HA -0.102 4.609 4.350 0.602 0.000 0.192 332 E C 1.135 177.638 176.600 -0.161 0.000 0.987 332 E CA 0.833 57.176 56.400 -0.096 0.000 0.841 332 E CB -0.859 28.725 29.700 -0.193 0.000 0.783 332 E HN 0.670 nan 8.360 nan 0.000 0.481 333 Y N 1.072 121.353 120.300 -0.031 0.000 2.466 333 Y HA 0.250 5.147 4.550 0.579 0.000 0.272 333 Y C 1.162 176.889 175.900 -0.289 0.000 1.169 333 Y CA -0.082 58.010 58.100 -0.014 0.000 1.285 333 Y CB 0.482 39.021 38.460 0.132 0.000 1.078 333 Y HN 0.023 nan 8.280 nan 0.000 0.523 334 S N 0.773 116.370 115.700 -0.172 0.000 2.573 334 S HA 0.337 5.168 4.470 0.602 0.000 0.277 334 S C 0.240 174.522 174.600 -0.530 0.000 1.346 334 S CA 0.161 58.129 58.200 -0.387 0.000 1.034 334 S CB 0.657 63.734 63.200 -0.204 0.000 0.879 334 S HN 0.423 nan 8.310 nan 0.000 0.528 335 S N 0.794 116.035 115.700 -0.765 0.000 2.633 335 S HA 0.351 5.182 4.470 0.602 0.000 0.271 335 S C -1.644 172.658 174.600 -0.498 0.000 1.112 335 S CA -1.012 56.878 58.200 -0.517 0.000 0.828 335 S CB -0.085 62.729 63.200 -0.644 0.000 1.086 335 S HN 0.455 nan 8.310 nan 0.000 0.461 336 Y N 2.046 122.307 120.300 -0.065 0.000 2.544 336 Y HA 0.593 5.475 4.550 0.554 0.000 0.330 336 Y C 0.956 176.747 175.900 -0.182 0.000 1.136 336 Y CA 1.201 59.271 58.100 -0.051 0.000 1.417 336 Y CB 0.585 39.072 38.460 0.045 0.000 1.229 336 Y HN 0.904 nan 8.280 nan 0.000 0.532 337 N N 0.978 119.596 118.700 -0.135 0.000 3.046 337 N HA 0.228 5.329 4.740 0.602 0.000 0.243 337 N C -1.966 173.383 175.510 -0.268 0.000 1.452 337 N CA -1.109 51.797 53.050 -0.240 0.000 0.882 337 N CB 0.633 38.968 38.487 -0.252 0.000 1.425 337 N HN 0.278 nan 8.380 nan 0.000 0.517 338 Y N 1.566 121.816 120.300 -0.083 0.000 2.544 338 Y HA 0.175 5.114 4.550 0.647 0.000 0.330 338 Y C 2.045 177.731 175.900 -0.356 0.000 1.136 338 Y CA 0.088 58.029 58.100 -0.264 0.000 1.417 338 Y CB 0.589 38.747 38.460 -0.504 0.000 1.229 338 Y HN 0.520 nan 8.280 nan 0.000 0.532 339 R N 2.051 122.407 120.500 -0.239 0.000 2.133 339 R HA -0.219 4.482 4.340 0.602 0.000 0.247 339 R C 2.030 178.149 176.300 -0.302 0.000 1.151 339 R CA 1.857 57.757 56.100 -0.334 0.000 0.971 339 R CB -0.657 29.459 30.300 -0.306 0.000 0.866 339 R HN 1.056 nan 8.270 nan 0.000 0.447 340 G N -0.070 108.448 108.800 -0.470 0.000 2.408 340 G HA2 -0.295 4.026 3.960 0.602 0.000 0.217 340 G HA3 -0.295 4.026 3.960 0.602 0.000 0.217 340 G C 1.225 175.968 174.900 -0.261 0.000 1.150 340 G CA 0.515 45.330 45.100 -0.475 0.000 0.776 340 G HN 0.427 nan 8.290 nan 0.000 0.542 341 F N 1.635 121.371 119.950 -0.357 0.000 2.095 341 F HA -0.074 4.851 4.527 0.665 0.000 0.298 341 F C 2.207 177.994 175.800 -0.022 0.000 1.104 341 F CA 1.916 59.911 58.000 -0.009 0.000 1.232 341 F CB -0.077 38.994 39.000 0.119 0.000 0.987 341 F HN 0.128 nan 8.300 nan 0.000 0.475 342 D N 0.366 120.767 120.400 0.002 0.000 2.097 342 D HA -0.169 4.832 4.640 0.602 0.000 0.195 342 D C 2.317 178.511 176.300 -0.177 0.000 0.989 342 D CA 1.771 55.768 54.000 -0.005 0.000 0.827 342 D CB -0.247 40.681 40.800 0.213 0.000 0.966 342 D HN 0.383 nan 8.370 nan 0.000 0.456 343 I N -0.054 120.354 120.570 -0.271 0.000 2.233 343 I HA -0.092 4.439 4.170 0.602 0.000 0.243 343 I C 2.526 178.142 176.117 -0.835 0.000 1.093 343 I CA 1.157 62.113 61.300 -0.572 0.000 1.380 343 I CB -0.645 36.978 38.000 -0.628 0.000 1.067 343 I HN 0.038 nan 8.210 nan 0.000 0.413 344 G N 0.947 109.406 108.800 -0.568 0.000 2.440 344 G HA2 -0.317 4.004 3.960 0.602 0.000 0.218 344 G HA3 -0.317 4.004 3.960 0.602 0.000 0.218 344 G C 1.457 176.157 174.900 -0.333 0.000 1.154 344 G CA 0.954 45.818 45.100 -0.394 0.000 0.767 344 G HN 0.421 nan 8.290 nan 0.000 0.552 345 N N 0.278 118.709 118.700 -0.449 0.000 2.069 345 N HA -0.227 4.874 4.740 0.602 0.000 0.191 345 N C 2.035 177.456 175.510 -0.148 0.000 1.031 345 N CA 1.702 54.542 53.050 -0.351 0.000 0.852 345 N CB -0.289 37.898 38.487 -0.500 0.000 1.018 345 N HN 0.470 nan 8.380 nan 0.000 0.423 346 H N 0.097 119.014 119.070 -0.255 0.000 2.319 346 H HA -0.102 4.814 4.556 0.600 0.000 0.299 346 H C 1.688 177.011 175.328 -0.008 0.000 1.092 346 H CA 1.997 57.965 56.048 -0.133 0.000 1.302 346 H CB -0.441 29.206 29.762 -0.191 0.000 1.373 346 H HN 0.164 nan 8.280 nan 0.000 0.497 347 F N 0.238 119.855 119.950 -0.555 0.000 2.126 347 F HA -0.227 4.666 4.527 0.610 0.000 0.299 347 F C 2.959 178.419 175.800 -0.567 0.000 1.096 347 F CA 0.877 58.332 58.000 -0.908 0.000 1.255 347 F CB -1.493 36.934 39.000 -0.955 0.000 0.997 347 F HN 0.320 nan 8.300 nan 0.000 0.479 348 C N 0.031 119.362 119.300 0.052 0.000 2.413 348 C HA -0.170 4.652 4.460 0.602 0.000 0.277 348 C C 2.596 177.732 174.990 0.242 0.000 1.265 348 C CA 0.822 59.985 59.018 0.242 0.000 1.752 348 C CB -0.862 26.960 27.740 0.137 0.000 1.998 348 C HN 0.372 nan 8.230 nan 0.000 0.489 349 E N -0.421 119.882 120.200 0.173 0.000 2.338 349 E HA -0.146 4.565 4.350 0.602 0.000 0.197 349 E C 1.641 178.344 176.600 0.170 0.000 1.007 349 E CA 0.757 57.287 56.400 0.217 0.000 0.849 349 E CB -0.244 29.538 29.700 0.138 0.000 0.774 349 E HN 0.802 nan 8.360 nan 0.000 0.506 350 W N 0.398 121.574 121.300 -0.206 0.000 2.421 350 W HA -0.044 4.976 4.660 0.600 0.000 0.270 350 W C 2.008 178.399 176.519 -0.213 0.000 1.233 350 W CA 0.767 57.981 57.345 -0.217 0.000 1.226 350 W CB -0.522 28.769 29.460 -0.282 0.000 1.121 350 W HN 0.090 nan 8.180 nan 0.000 0.579 351 M N -2.047 117.511 119.600 -0.070 0.000 2.509 351 M HA 0.061 4.902 4.480 0.602 0.000 0.250 351 M C -0.645 175.311 176.300 -0.573 0.000 1.132 351 M CA 0.684 55.761 55.300 -0.372 0.000 1.080 351 M CB -0.140 32.093 32.600 -0.612 0.000 1.408 351 M HN -0.282 nan 8.290 nan 0.000 0.484 352 Y N 0.229 120.518 120.300 -0.019 0.000 2.341 352 Y HA 0.398 5.309 4.550 0.603 0.000 0.338 352 Y C -0.477 175.185 175.900 -0.397 0.000 0.965 352 Y CA -1.946 56.055 58.100 -0.164 0.000 1.108 352 Y CB 0.894 39.250 38.460 -0.173 0.000 1.180 352 Y HN -0.124 nan 8.280 nan 0.000 0.458 353 D N 2.275 122.575 120.400 -0.167 0.000 2.440 353 D HA 0.173 5.174 4.640 0.602 0.000 0.239 353 D C -0.603 175.655 176.300 -0.070 0.000 1.084 353 D CA -0.537 53.369 54.000 -0.156 0.000 0.843 353 D CB 0.695 41.471 40.800 -0.039 0.000 1.097 353 D HN 0.478 nan 8.370 nan 0.000 0.531 354 Y N 1.218 121.654 120.300 0.227 0.000 2.490 354 Y HA 0.035 4.947 4.550 0.603 0.000 0.281 354 Y C 2.148 178.191 175.900 0.239 0.000 1.174 354 Y CA 0.092 58.344 58.100 0.254 0.000 1.295 354 Y CB 0.060 38.564 38.460 0.075 0.000 1.062 354 Y HN 0.339 nan 8.280 nan 0.000 0.522 355 S N -1.709 114.163 115.700 0.287 0.000 2.597 355 S HA 0.037 4.868 4.470 0.602 0.000 0.224 355 S C 0.051 174.809 174.600 0.263 0.000 0.955 355 S CA -0.483 57.856 58.200 0.231 0.000 0.933 355 S CB -0.862 62.427 63.200 0.149 0.000 0.788 355 S HN 0.289 nan 8.310 nan 0.000 0.488 356 Y N 3.292 123.687 120.300 0.158 0.000 2.544 356 Y HA 0.305 5.215 4.550 0.601 0.000 0.330 356 Y C 0.671 176.675 175.900 0.174 0.000 1.136 356 Y CA -0.685 57.472 58.100 0.096 0.000 1.417 356 Y CB 0.626 39.088 38.460 0.004 0.000 1.229 356 Y HN 0.126 nan 8.280 nan 0.000 0.532 357 E N 2.764 122.833 120.200 -0.218 0.000 2.478 357 E HA 0.051 4.763 4.350 0.602 0.000 0.194 357 E C -0.218 176.248 176.600 -0.224 0.000 1.045 357 E CA 0.533 56.884 56.400 -0.081 0.000 0.868 357 E CB 0.079 29.764 29.700 -0.025 0.000 0.885 357 E HN 0.336 nan 8.360 nan 0.000 0.505 358 K N 0.094 119.923 120.400 -0.951 0.000 2.238 358 K HA 0.245 4.926 4.320 0.602 0.000 0.239 358 K C -0.570 175.153 176.600 -1.462 0.000 0.987 358 K CA -1.223 54.515 56.287 -0.915 0.000 0.857 358 K CB 0.647 32.747 32.500 -0.667 0.000 1.154 358 K HN -0.030 nan 8.250 nan 0.000 0.439 359 Y N 3.370 122.810 120.300 -1.434 0.000 2.717 359 Y HA -0.025 4.886 4.550 0.603 0.000 0.330 359 Y C -1.247 174.295 175.900 -0.597 0.000 1.217 359 Y CA -0.637 56.696 58.100 -1.277 0.000 1.506 359 Y CB 0.595 38.688 38.460 -0.611 0.000 1.268 359 Y HN 0.386 nan 8.280 nan 0.000 0.561 360 P HA 0.128 nan 4.420 nan 0.000 0.257 360 P C -0.504 176.376 177.300 -0.700 0.000 1.281 360 P CA 0.272 62.554 63.100 -1.362 0.000 0.826 360 P CB -0.174 30.911 31.700 -1.026 0.000 1.237 361 F N -2.677 117.135 119.950 -0.230 0.000 2.681 361 F HA -0.215 4.673 4.527 0.601 0.000 0.299 361 F C 0.158 176.185 175.800 0.379 0.000 0.676 361 F CA 0.210 58.234 58.000 0.040 0.000 1.496 361 F CB -2.793 36.270 39.000 0.106 0.000 1.827 361 F HN 0.066 nan 8.300 nan 0.000 0.328 362 F N -1.485 118.645 119.950 0.301 0.000 2.631 362 F HA 0.832 5.722 4.527 0.606 0.000 0.308 362 F C -0.587 175.293 175.800 0.132 0.000 1.097 362 F CA -1.853 56.331 58.000 0.306 0.000 0.952 362 F CB 1.447 40.684 39.000 0.395 0.000 1.307 362 F HN -0.172 nan 8.300 nan 0.000 0.450 363 R N 1.763 122.287 120.500 0.039 0.000 2.514 363 R HA 0.825 5.526 4.340 0.602 0.000 0.301 363 R C -1.169 175.252 176.300 0.203 0.000 0.962 363 R CA -1.205 54.810 56.100 -0.143 0.000 0.882 363 R CB 2.086 32.234 30.300 -0.253 0.000 1.143 363 R HN 0.943 nan 8.270 nan 0.000 0.452 364 A N 2.707 125.649 122.820 0.202 0.000 2.303 364 A HA 0.401 5.083 4.320 0.602 0.000 0.320 364 A C -0.753 176.816 177.584 -0.025 0.000 1.192 364 A CA -0.634 51.527 52.037 0.205 0.000 0.821 364 A CB 0.853 20.131 19.000 0.465 0.000 1.188 364 A HN 0.625 nan 8.150 nan 0.000 0.492 365 N N 3.228 121.847 118.700 -0.135 0.000 2.577 365 N HA 0.224 5.325 4.740 0.602 0.000 0.275 365 N C 0.523 175.944 175.510 -0.149 0.000 1.091 365 N CA -0.542 52.433 53.050 -0.125 0.000 0.843 365 N CB 0.818 39.243 38.487 -0.103 0.000 1.295 365 N HN 0.483 nan 8.380 nan 0.000 0.530 366 I N 1.845 122.321 120.570 -0.156 0.000 2.361 366 I HA -0.155 4.377 4.170 0.602 0.000 0.251 366 I C 2.118 178.176 176.117 -0.099 0.000 1.133 366 I CA 0.786 61.975 61.300 -0.184 0.000 1.413 366 I CB -0.189 37.606 38.000 -0.342 0.000 1.073 366 I HN 0.531 nan 8.210 nan 0.000 0.424 367 R N 1.154 121.608 120.500 -0.076 0.000 2.280 367 R HA -0.101 4.600 4.340 0.602 0.000 0.207 367 R C 1.751 178.059 176.300 0.013 0.000 1.043 367 R CA 0.648 56.733 56.100 -0.024 0.000 1.006 367 R CB 0.193 30.475 30.300 -0.030 0.000 0.885 367 R HN 0.132 nan 8.270 nan 0.000 0.467 368 K N -0.201 120.204 120.400 0.009 0.000 2.459 368 K HA -0.072 4.610 4.320 0.602 0.000 0.193 368 K C -0.123 176.556 176.600 0.131 0.000 1.030 368 K CA 0.081 56.402 56.287 0.057 0.000 1.026 368 K CB -0.202 32.306 32.500 0.012 0.000 0.809 368 K HN 0.147 nan 8.250 nan 0.000 0.504 369 Y N 4.037 124.297 120.300 -0.066 0.000 2.712 369 Y HA -0.044 4.866 4.550 0.599 0.000 0.333 369 Y C -1.907 173.817 175.900 -0.294 0.000 1.225 369 Y CA -1.878 56.117 58.100 -0.174 0.000 1.499 369 Y CB 0.255 38.623 38.460 -0.153 0.000 1.288 369 Y HN 0.031 nan 8.280 nan 0.000 0.575 370 P HA -0.001 nan 4.420 nan 0.000 0.268 370 P C -0.501 176.475 177.300 -0.540 0.000 1.205 370 P CA -0.141 62.319 63.100 -1.067 0.000 0.771 370 P CB 0.498 30.938 31.700 -2.099 0.000 0.858 371 T N -0.805 113.588 114.554 -0.268 0.000 2.802 371 T HA 0.067 4.778 4.350 0.602 0.000 0.305 371 T C 1.360 175.953 174.700 -0.178 0.000 1.053 371 T CA -0.451 61.566 62.100 -0.138 0.000 1.058 371 T CB 0.712 69.544 68.868 -0.060 0.000 0.988 371 T HN 0.407 nan 8.240 nan 0.000 0.539 372 K N 0.596 120.941 120.400 -0.091 0.000 2.113 372 K HA -0.215 4.467 4.320 0.602 0.000 0.208 372 K C 2.284 178.851 176.600 -0.055 0.000 1.047 372 K CA 1.775 58.021 56.287 -0.069 0.000 0.928 372 K CB -0.194 32.295 32.500 -0.018 0.000 0.716 372 K HN 0.733 nan 8.250 nan 0.000 0.446 373 K N 0.396 120.775 120.400 -0.035 0.000 2.057 373 K HA -0.180 4.501 4.320 0.602 0.000 0.206 373 K C 2.068 178.680 176.600 0.019 0.000 1.050 373 K CA 1.603 57.892 56.287 0.004 0.000 0.935 373 K CB 0.055 32.559 32.500 0.006 0.000 0.715 373 K HN 0.247 nan 8.250 nan 0.000 0.439 374 Q N 0.153 119.929 119.800 -0.041 0.000 2.119 374 Q HA -0.152 4.549 4.340 0.602 0.000 0.201 374 Q C 2.178 178.110 176.000 -0.114 0.000 0.972 374 Q CA 1.510 57.300 55.803 -0.021 0.000 0.847 374 Q CB 0.095 28.801 28.738 -0.053 0.000 0.903 374 Q HN 0.419 nan 8.270 nan 0.000 0.433 375 Q N 0.310 119.907 119.800 -0.339 0.000 2.084 375 Q HA -0.142 4.560 4.340 0.602 0.000 0.202 375 Q C 2.106 178.133 176.000 0.045 0.000 0.978 375 Q CA 1.032 56.597 55.803 -0.397 0.000 0.844 375 Q CB -0.095 28.389 28.738 -0.424 0.000 0.898 375 Q HN 0.378 nan 8.270 nan 0.000 0.426 376 L N -0.352 120.912 121.223 0.068 0.000 2.083 376 L HA -0.215 4.486 4.340 0.602 0.000 0.209 376 L C 2.462 179.445 176.870 0.188 0.000 1.083 376 L CA 1.284 56.205 54.840 0.134 0.000 0.752 376 L CB -0.373 41.748 42.059 0.104 0.000 0.899 376 L HN 0.342 nan 8.230 nan 0.000 0.433 377 H N -0.533 118.610 119.070 0.122 0.000 2.357 377 H HA -0.254 4.664 4.556 0.602 0.000 0.301 377 H C 2.012 177.459 175.328 0.198 0.000 1.082 377 H CA 1.859 57.990 56.048 0.139 0.000 1.342 377 H CB -0.138 29.702 29.762 0.130 0.000 1.389 377 H HN 0.264 nan 8.280 nan 0.000 0.511 378 F N 1.127 121.148 119.950 0.118 0.000 2.075 378 F HA -0.160 4.726 4.527 0.599 0.000 0.297 378 F C 2.324 178.181 175.800 0.095 0.000 1.113 378 F CA 1.863 59.946 58.000 0.139 0.000 1.218 378 F CB -0.329 38.875 39.000 0.339 0.000 0.984 378 F HN 0.322 nan 8.300 nan 0.000 0.472 379 I N -2.038 118.764 120.570 0.387 0.000 2.614 379 I HA -0.133 4.398 4.170 0.602 0.000 0.258 379 I C 1.983 178.138 176.117 0.064 0.000 1.189 379 I CA 1.483 62.921 61.300 0.230 0.000 1.462 379 I CB -0.766 37.354 38.000 0.201 0.000 1.092 379 I HN -0.008 nan 8.210 nan 0.000 0.442 380 S N 1.148 116.869 115.700 0.034 0.000 2.423 380 S HA -0.088 4.743 4.470 0.602 0.000 0.231 380 S C 2.087 176.641 174.600 -0.077 0.000 1.014 380 S CA 1.551 59.752 58.200 0.001 0.000 0.965 380 S CB -0.220 62.999 63.200 0.032 0.000 0.785 380 S HN 0.620 nan 8.310 nan 0.000 0.495 381 S N 0.260 115.857 115.700 -0.172 0.000 2.406 381 S HA 0.022 4.853 4.470 0.602 0.000 0.224 381 S C 1.555 176.048 174.600 -0.178 0.000 1.030 381 S CA 0.415 58.493 58.200 -0.203 0.000 0.958 381 S CB -0.427 62.594 63.200 -0.299 0.000 0.811 381 S HN 0.630 nan 8.310 nan 0.000 0.489 382 Y N 2.536 122.645 120.300 -0.320 0.000 2.145 382 Y HA -0.117 4.792 4.550 0.599 0.000 0.286 382 Y C 1.881 177.679 175.900 -0.171 0.000 1.145 382 Y CA 1.365 59.316 58.100 -0.250 0.000 1.148 382 Y CB -0.401 37.936 38.460 -0.205 0.000 0.981 382 Y HN 0.115 nan 8.280 nan 0.000 0.507 383 L N -0.100 121.050 121.223 -0.120 0.000 2.027 383 L HA -0.142 4.559 4.340 0.602 0.000 0.206 383 L C -0.552 176.095 176.870 -0.373 0.000 1.074 383 L CA 1.301 55.900 54.840 -0.401 0.000 0.745 383 L CB -1.689 39.720 42.059 -1.084 0.000 0.898 383 L HN 0.196 nan 8.230 nan 0.000 0.433 384 P HA -0.115 nan 4.420 nan 0.000 0.219 384 P C 1.362 178.631 177.300 -0.052 0.000 1.150 384 P CA 1.532 64.638 63.100 0.011 0.000 0.814 384 P CB -0.002 31.748 31.700 0.084 0.000 0.787 385 A N -1.338 121.402 122.820 -0.133 0.000 1.930 385 A HA -0.166 4.515 4.320 0.602 0.000 0.217 385 A C 2.075 179.546 177.584 -0.188 0.000 1.175 385 A CA 1.259 53.198 52.037 -0.163 0.000 0.627 385 A CB -1.720 17.156 19.000 -0.206 0.000 0.815 385 A HN 0.155 nan 8.150 nan 0.000 0.443 386 F N -0.241 119.470 119.950 -0.398 0.000 2.270 386 F HA 0.093 4.979 4.527 0.600 0.000 0.295 386 F C 1.021 176.735 175.800 -0.143 0.000 1.087 386 F CA 0.950 58.751 58.000 -0.333 0.000 1.365 386 F CB 0.235 38.931 39.000 -0.507 0.000 1.056 386 F HN 0.141 nan 8.300 nan 0.000 0.506 387 Q N 0.511 120.347 119.800 0.061 0.000 2.456 387 Q HA 0.202 4.903 4.340 0.602 0.000 0.252 387 Q C 0.727 176.777 176.000 0.084 0.000 1.042 387 Q CA 0.322 56.181 55.803 0.094 0.000 0.766 387 Q CB 0.922 29.809 28.738 0.248 0.000 1.196 387 Q HN 0.484 nan 8.270 nan 0.000 0.504 388 N N 2.436 121.141 118.700 0.008 0.000 2.430 388 N HA -0.207 4.894 4.740 0.602 0.000 0.186 388 N C 1.116 176.660 175.510 0.058 0.000 1.032 388 N CA 1.930 54.989 53.050 0.014 0.000 0.893 388 N CB -0.387 38.083 38.487 -0.028 0.000 0.957 388 N HN 0.663 nan 8.380 nan 0.000 0.442 389 D N -2.899 117.552 120.400 0.085 0.000 2.366 389 D HA 0.064 5.065 4.640 0.602 0.000 0.205 389 D C 1.401 177.766 176.300 0.110 0.000 1.022 389 D CA -0.277 53.768 54.000 0.075 0.000 0.868 389 D CB -0.415 40.418 40.800 0.055 0.000 0.953 389 D HN 0.371 nan 8.370 nan 0.000 0.514 390 F N 1.877 121.844 119.950 0.027 0.000 2.106 390 F HA -0.310 4.580 4.527 0.604 0.000 0.299 390 F C 2.001 177.821 175.800 0.033 0.000 1.082 390 F CA 1.771 59.796 58.000 0.042 0.000 1.244 390 F CB -0.156 38.879 39.000 0.059 0.000 0.997 390 F HN -0.124 nan 8.300 nan 0.000 0.486 391 E N 0.315 120.556 120.200 0.068 0.000 2.333 391 E HA -0.179 4.533 4.350 0.602 0.000 0.198 391 E C 1.247 177.783 176.600 -0.107 0.000 1.007 391 E CA 1.381 57.763 56.400 -0.030 0.000 0.845 391 E CB -0.528 29.217 29.700 0.075 0.000 0.766 391 E HN 0.665 nan 8.360 nan 0.000 0.507 392 N N -0.875 117.772 118.700 -0.090 0.000 2.322 392 N HA 0.117 5.218 4.740 0.602 0.000 0.194 392 N C -0.388 175.058 175.510 -0.106 0.000 1.126 392 N CA -0.284 52.722 53.050 -0.075 0.000 0.845 392 N CB 0.422 38.889 38.487 -0.033 0.000 0.976 392 N HN 0.054 nan 8.380 nan 0.000 0.475 393 L N 1.005 122.110 121.223 -0.196 0.000 2.439 393 L HA 0.196 4.898 4.340 0.602 0.000 0.261 393 L C 0.782 177.556 176.870 -0.161 0.000 1.153 393 L CA -0.743 53.983 54.840 -0.189 0.000 0.808 393 L CB 0.671 42.561 42.059 -0.282 0.000 1.126 393 L HN 0.149 nan 8.230 nan 0.000 0.460 394 S N -0.528 115.109 115.700 -0.104 0.000 2.546 394 S HA -0.071 4.760 4.470 0.602 0.000 0.290 394 S C 1.078 175.627 174.600 -0.085 0.000 1.290 394 S CA -0.151 58.005 58.200 -0.073 0.000 1.069 394 S CB 1.104 64.279 63.200 -0.042 0.000 0.846 394 S HN 0.750 nan 8.310 nan 0.000 0.495 395 T N 1.636 116.151 114.554 -0.064 0.000 2.760 395 T HA -0.180 4.532 4.350 0.602 0.000 0.269 395 T C 1.886 176.570 174.700 -0.027 0.000 1.047 395 T CA 1.961 64.031 62.100 -0.049 0.000 1.139 395 T CB -0.505 68.349 68.868 -0.023 0.000 0.855 395 T HN 0.892 nan 8.240 nan 0.000 0.471 396 E N 0.647 120.836 120.200 -0.017 0.000 2.230 396 E HA -0.075 4.636 4.350 0.602 0.000 0.192 396 E C 1.975 178.579 176.600 0.007 0.000 0.987 396 E CA 0.917 57.318 56.400 0.001 0.000 0.841 396 E CB -0.462 29.241 29.700 0.005 0.000 0.783 396 E HN 0.653 nan 8.360 nan 0.000 0.481 397 E N 1.436 121.629 120.200 -0.011 0.000 2.106 397 E HA -0.128 4.583 4.350 0.602 0.000 0.192 397 E C 1.953 178.561 176.600 0.013 0.000 0.984 397 E CA 0.873 57.274 56.400 0.001 0.000 0.806 397 E CB 0.140 29.832 29.700 -0.014 0.000 0.750 397 E HN 0.167 nan 8.360 nan 0.000 0.458 398 K N -0.005 120.364 120.400 -0.051 0.000 2.063 398 K HA -0.102 4.580 4.320 0.602 0.000 0.208 398 K C 2.381 179.057 176.600 0.127 0.000 1.048 398 K CA 1.338 57.610 56.287 -0.025 0.000 0.928 398 K CB -0.111 32.289 32.500 -0.168 0.000 0.713 398 K HN -0.016 nan 8.250 nan 0.000 0.442 399 S N 0.859 116.605 115.700 0.076 0.000 2.368 399 S HA -0.053 4.778 4.470 0.602 0.000 0.224 399 S C 1.908 176.562 174.600 0.090 0.000 1.029 399 S CA 0.702 58.954 58.200 0.087 0.000 0.988 399 S CB -0.072 63.162 63.200 0.058 0.000 0.838 399 S HN 0.158 nan 8.310 nan 0.000 0.462 400 I N 1.716 122.331 120.570 0.076 0.000 2.163 400 I HA -0.198 4.333 4.170 0.602 0.000 0.243 400 I C 2.129 178.306 176.117 0.101 0.000 1.085 400 I CA 1.484 62.829 61.300 0.075 0.000 1.347 400 I CB -1.236 36.800 38.000 0.061 0.000 1.044 400 I HN 0.303 nan 8.210 nan 0.000 0.408 401 I N 0.646 121.300 120.570 0.140 0.000 2.127 401 I HA -0.322 4.209 4.170 0.602 0.000 0.241 401 I C 2.628 178.839 176.117 0.157 0.000 1.075 401 I CA 1.505 62.913 61.300 0.178 0.000 1.334 401 I CB -0.379 37.806 38.000 0.309 0.000 1.040 401 I HN 0.202 nan 8.210 nan 0.000 0.405 402 K N 0.336 120.845 120.400 0.180 0.000 2.032 402 K HA -0.192 4.490 4.320 0.602 0.000 0.209 402 K C 2.123 178.787 176.600 0.107 0.000 1.048 402 K CA 1.313 57.688 56.287 0.147 0.000 0.927 402 K CB -0.168 32.434 32.500 0.169 0.000 0.712 402 K HN 0.235 nan 8.250 nan 0.000 0.441 403 E N 0.813 121.071 120.200 0.095 0.000 2.085 403 E HA -0.230 4.481 4.350 0.602 0.000 0.194 403 E C 1.958 178.599 176.600 0.068 0.000 0.994 403 E CA 1.180 57.624 56.400 0.074 0.000 0.801 403 E CB -0.087 29.650 29.700 0.063 0.000 0.743 403 E HN 0.411 nan 8.360 nan 0.000 0.453 404 E N 0.318 120.560 120.200 0.070 0.000 2.072 404 E HA -0.145 4.566 4.350 0.602 0.000 0.191 404 E C 2.174 178.812 176.600 0.064 0.000 0.985 404 E CA 0.768 57.206 56.400 0.064 0.000 0.801 404 E CB -0.073 29.666 29.700 0.065 0.000 0.750 404 E HN 0.147 nan 8.360 nan 0.000 0.452 405 M N 0.198 119.837 119.600 0.064 0.000 2.117 405 M HA -0.181 4.660 4.480 0.602 0.000 0.262 405 M C 1.940 178.274 176.300 0.056 0.000 1.065 405 M CA 1.041 56.367 55.300 0.044 0.000 1.114 405 M CB 0.008 32.625 32.600 0.028 0.000 1.361 405 M HN 0.203 nan 8.290 nan 0.000 0.408 406 L N 0.588 121.858 121.223 0.079 0.000 2.043 406 L HA -0.226 4.475 4.340 0.602 0.000 0.212 406 L C 2.156 179.081 176.870 0.091 0.000 1.075 406 L CA 1.860 56.760 54.840 0.100 0.000 0.752 406 L CB -0.977 41.135 42.059 0.089 0.000 0.891 406 L HN 0.382 nan 8.230 nan 0.000 0.432 407 L N -1.277 119.989 121.223 0.072 0.000 2.072 407 L HA -0.195 4.506 4.340 0.602 0.000 0.205 407 L C 2.493 179.409 176.870 0.077 0.000 1.079 407 L CA 1.294 56.170 54.840 0.060 0.000 0.752 407 L CB -0.585 41.499 42.059 0.043 0.000 0.906 407 L HN 0.392 nan 8.230 nan 0.000 0.436 408 E N 0.698 120.956 120.200 0.096 0.000 2.033 408 E HA -0.267 4.444 4.350 0.602 0.000 0.199 408 E C 2.151 178.887 176.600 0.228 0.000 1.011 408 E CA 2.583 59.083 56.400 0.165 0.000 0.815 408 E CB -0.077 29.691 29.700 0.114 0.000 0.755 408 E HN 0.358 nan 8.360 nan 0.000 0.451 409 V N -0.937 119.042 119.914 0.107 0.000 2.548 409 V HA -0.149 4.332 4.120 0.602 0.000 0.249 409 V C 1.498 177.656 176.094 0.108 0.000 1.055 409 V CA 2.189 64.517 62.300 0.047 0.000 1.065 409 V CB -0.784 30.945 31.823 -0.156 0.000 0.681 409 V HN 0.171 nan 8.190 nan 0.000 0.462 410 N N 0.230 119.010 118.700 0.134 0.000 2.354 410 N HA 0.035 5.136 4.740 0.602 0.000 0.179 410 N C 2.011 177.554 175.510 0.055 0.000 1.021 410 N CA 1.022 54.150 53.050 0.131 0.000 0.887 410 N CB -0.203 38.356 38.487 0.119 0.000 0.974 410 N HN 0.482 nan 8.380 nan 0.000 0.437 411 R N -0.180 120.342 120.500 0.036 0.000 2.062 411 R HA 0.002 4.703 4.340 0.602 0.000 0.231 411 R C 1.366 177.614 176.300 -0.087 0.000 1.136 411 R CA 1.126 57.189 56.100 -0.062 0.000 0.948 411 R CB -0.377 29.851 30.300 -0.121 0.000 0.845 411 R HN 0.221 nan 8.270 nan 0.000 0.430 412 F N 0.854 120.806 119.950 0.003 0.000 2.333 412 F HA -0.104 4.780 4.527 0.594 0.000 0.300 412 F C 2.460 178.259 175.800 -0.002 0.000 1.083 412 F CA 0.899 58.920 58.000 0.036 0.000 1.395 412 F CB -0.352 38.683 39.000 0.058 0.000 1.056 412 F HN 0.108 nan 8.300 nan 0.000 0.529 413 A N 0.392 123.271 122.820 0.098 0.000 1.948 413 A HA -0.199 4.482 4.320 0.602 0.000 0.220 413 A C 2.221 179.791 177.584 -0.023 0.000 1.177 413 A CA 1.552 53.583 52.037 -0.010 0.000 0.636 413 A CB -1.078 17.963 19.000 0.068 0.000 0.815 413 A HN 0.425 nan 8.150 nan 0.000 0.449 414 L N -0.942 120.319 121.223 0.064 0.000 2.079 414 L HA -0.249 4.452 4.340 0.602 0.000 0.210 414 L C 3.071 180.110 176.870 0.283 0.000 1.081 414 L CA 1.178 56.127 54.840 0.182 0.000 0.752 414 L CB -0.574 41.496 42.059 0.019 0.000 0.896 414 L HN 0.450 nan 8.230 nan 0.000 0.433 415 A N -1.005 121.919 122.820 0.172 0.000 1.930 415 A HA -0.221 4.460 4.320 0.602 0.000 0.217 415 A C 2.538 180.278 177.584 0.261 0.000 1.175 415 A CA 1.872 54.017 52.037 0.181 0.000 0.627 415 A CB -0.627 18.507 19.000 0.222 0.000 0.815 415 A HN 0.380 nan 8.150 nan 0.000 0.443 416 S N -0.875 114.938 115.700 0.187 0.000 2.353 416 S HA -0.250 4.581 4.470 0.602 0.000 0.222 416 S C 2.072 176.742 174.600 0.117 0.000 1.035 416 S CA 1.688 59.946 58.200 0.097 0.000 1.025 416 S CB -0.639 62.458 63.200 -0.172 0.000 0.902 416 S HN 0.715 nan 8.310 nan 0.000 0.440 417 H N -0.612 118.549 119.070 0.152 0.000 2.319 417 H HA -0.091 4.828 4.556 0.605 0.000 0.299 417 H C 1.997 177.169 175.328 -0.261 0.000 1.092 417 H CA 1.725 57.763 56.048 -0.017 0.000 1.302 417 H CB -0.974 28.791 29.762 0.005 0.000 1.373 417 H HN 0.548 nan 8.280 nan 0.000 0.497 418 F N 0.619 120.442 119.950 -0.212 0.000 2.113 418 F HA -0.124 4.762 4.527 0.599 0.000 0.297 418 F C 2.691 178.335 175.800 -0.260 0.000 1.103 418 F CA 0.706 58.432 58.000 -0.456 0.000 1.248 418 F CB -0.322 38.482 39.000 -0.326 0.000 0.999 418 F HN -0.004 nan 8.300 nan 0.000 0.475 419 L N -0.969 120.277 121.223 0.039 0.000 1.989 419 L HA -0.248 4.454 4.340 0.602 0.000 0.211 419 L C 2.103 178.917 176.870 -0.094 0.000 1.071 419 L CA 2.055 56.826 54.840 -0.116 0.000 0.749 419 L CB -0.533 41.290 42.059 -0.394 0.000 0.890 419 L HN 0.246 nan 8.230 nan 0.000 0.431 420 W N -0.727 120.615 121.300 0.070 0.000 2.436 420 W HA 0.018 5.052 4.660 0.624 0.000 0.284 420 W C 2.401 179.000 176.519 0.133 0.000 1.225 420 W CA 0.505 57.893 57.345 0.070 0.000 1.271 420 W CB -0.658 28.792 29.460 -0.018 0.000 1.114 420 W HN 0.237 nan 8.180 nan 0.000 0.559 421 G N 0.864 109.713 108.800 0.082 0.000 2.421 421 G HA2 -0.243 4.078 3.960 0.602 0.000 0.216 421 G HA3 -0.243 4.078 3.960 0.602 0.000 0.216 421 G C 1.443 176.508 174.900 0.274 0.000 1.171 421 G CA 0.988 46.099 45.100 0.018 0.000 0.775 421 G HN 0.166 nan 8.290 nan 0.000 0.543 422 L N -1.340 120.011 121.223 0.212 0.000 2.027 422 L HA -0.018 4.684 4.340 0.602 0.000 0.206 422 L C 2.609 179.556 176.870 0.128 0.000 1.074 422 L CA 1.339 56.319 54.840 0.233 0.000 0.745 422 L CB -0.507 41.718 42.059 0.277 0.000 0.898 422 L HN 0.462 nan 8.230 nan 0.000 0.433 423 W N 0.622 121.819 121.300 -0.172 0.000 2.304 423 W HA -0.351 4.667 4.660 0.598 0.000 0.315 423 W C 2.922 179.362 176.519 -0.131 0.000 1.233 423 W CA 2.174 59.240 57.345 -0.465 0.000 1.261 423 W CB -0.274 29.072 29.460 -0.190 0.000 1.150 423 W HN 0.027 nan 8.180 nan 0.000 0.494 424 S N -0.102 115.866 115.700 0.446 0.000 2.399 424 S HA -0.188 4.643 4.470 0.602 0.000 0.231 424 S C 1.759 176.432 174.600 0.122 0.000 1.022 424 S CA 1.674 60.107 58.200 0.389 0.000 0.983 424 S CB -0.469 63.201 63.200 0.784 0.000 0.803 424 S HN 0.355 nan 8.310 nan 0.000 0.480 425 I N 0.621 121.266 120.570 0.124 0.000 2.286 425 I HA -0.102 4.429 4.170 0.602 0.000 0.245 425 I C 2.229 178.345 176.117 -0.003 0.000 1.104 425 I CA 0.718 62.091 61.300 0.122 0.000 1.397 425 I CB -0.364 37.723 38.000 0.145 0.000 1.072 425 I HN 0.147 nan 8.210 nan 0.000 0.417 426 V N 0.634 120.457 119.914 -0.151 0.000 2.287 426 V HA -0.302 4.179 4.120 0.602 0.000 0.248 426 V C 2.544 178.413 176.094 -0.374 0.000 1.053 426 V CA 1.676 63.826 62.300 -0.250 0.000 1.027 426 V CB -0.756 30.873 31.823 -0.322 0.000 0.646 426 V HN 0.460 nan 8.190 nan 0.000 0.447 427 Q N 0.078 119.479 119.800 -0.665 0.000 2.135 427 Q HA -0.146 4.555 4.340 0.602 0.000 0.204 427 Q C 2.401 177.980 176.000 -0.701 0.000 0.981 427 Q CA 1.871 57.107 55.803 -0.944 0.000 0.856 427 Q CB -0.944 26.734 28.738 -1.766 0.000 0.902 427 Q HN 0.667 nan 8.270 nan 0.000 0.425 428 A N 0.900 123.523 122.820 -0.328 0.000 2.024 428 A HA -0.209 4.472 4.320 0.602 0.000 0.220 428 A C 2.146 179.845 177.584 0.192 0.000 1.164 428 A CA 1.959 54.029 52.037 0.054 0.000 0.643 428 A CB -0.227 18.902 19.000 0.215 0.000 0.806 428 A HN 0.211 nan 8.150 nan 0.000 0.451 429 K N 0.234 120.719 120.400 0.143 0.000 2.166 429 K HA 0.127 4.808 4.320 0.602 0.000 0.201 429 K C 1.520 178.123 176.600 0.005 0.000 1.052 429 K CA 1.389 57.756 56.287 0.134 0.000 0.969 429 K CB -0.286 32.178 32.500 -0.059 0.000 0.761 429 K HN 0.612 nan 8.250 nan 0.000 0.459 430 I N -2.604 117.906 120.570 -0.100 0.000 4.070 430 I HA 0.274 4.806 4.170 0.602 0.000 0.328 430 I C 0.453 176.509 176.117 -0.103 0.000 1.298 430 I CA -0.478 60.762 61.300 -0.101 0.000 1.173 430 I CB 0.573 38.498 38.000 -0.125 0.000 1.051 430 I HN -0.029 nan 8.210 nan 0.000 0.409 431 S N 1.137 116.745 115.700 -0.153 0.000 2.565 431 S HA 0.408 5.239 4.470 0.602 0.000 0.290 431 S C 0.883 175.509 174.600 0.043 0.000 1.150 431 S CA 0.047 58.193 58.200 -0.089 0.000 1.058 431 S CB 1.419 64.496 63.200 -0.206 0.000 1.032 431 S HN 0.425 nan 8.310 nan 0.000 0.510 432 S N 3.732 119.475 115.700 0.071 0.000 2.539 432 S HA 0.339 5.171 4.470 0.602 0.000 0.221 432 S C 0.493 175.165 174.600 0.118 0.000 0.987 432 S CA -0.498 57.758 58.200 0.094 0.000 0.929 432 S CB -0.634 62.602 63.200 0.059 0.000 0.832 432 S HN 0.704 nan 8.310 nan 0.000 0.492 433 I N 2.481 123.148 120.570 0.163 0.000 2.872 433 I HA 0.013 4.544 4.170 0.602 0.000 0.291 433 I C 0.904 177.099 176.117 0.129 0.000 1.216 433 I CA 0.253 61.635 61.300 0.136 0.000 1.424 433 I CB 0.429 38.530 38.000 0.167 0.000 1.351 433 I HN 0.326 nan 8.210 nan 0.000 0.592 434 E N 6.208 126.397 120.200 -0.017 0.000 1.858 434 E HA 0.206 4.918 4.350 0.602 0.000 0.267 434 E C -1.355 175.132 176.600 -0.188 0.000 1.215 434 E CA -0.057 56.263 56.400 -0.133 0.000 0.952 434 E CB 0.273 29.766 29.700 -0.344 0.000 1.058 434 E HN 0.372 nan 8.360 nan 0.000 0.407 435 F N 1.485 121.362 119.950 -0.121 0.000 2.672 435 F HA 0.371 5.261 4.527 0.604 0.000 0.311 435 F C -0.096 175.681 175.800 -0.039 0.000 1.113 435 F CA -0.725 57.207 58.000 -0.114 0.000 0.996 435 F CB 1.562 40.213 39.000 -0.582 0.000 1.286 435 F HN 0.242 nan 8.300 nan 0.000 0.441 436 G N 4.160 112.581 108.800 -0.632 0.000 3.101 436 G HA2 0.103 4.424 3.960 0.602 0.000 0.272 436 G HA3 0.103 4.424 3.960 0.602 0.000 0.272 436 G C 0.113 174.847 174.900 -0.276 0.000 0.801 436 G CA -0.003 44.832 45.100 -0.441 0.000 1.978 436 G HN 0.728 nan 8.290 nan 0.000 0.591 437 Y N 1.359 121.734 120.300 0.125 0.000 2.165 437 Y HA -0.187 4.724 4.550 0.602 0.000 0.286 437 Y C 2.757 178.794 175.900 0.228 0.000 1.155 437 Y CA 1.321 59.597 58.100 0.292 0.000 1.164 437 Y CB -0.069 38.544 38.460 0.255 0.000 0.978 437 Y HN 0.348 nan 8.280 nan 0.000 0.513 438 M N -0.431 119.344 119.600 0.292 0.000 2.175 438 M HA -0.174 4.667 4.480 0.602 0.000 0.264 438 M C 1.467 177.883 176.300 0.194 0.000 1.063 438 M CA 1.395 56.813 55.300 0.196 0.000 1.119 438 M CB -1.029 31.615 32.600 0.074 0.000 1.377 438 M HN 0.182 nan 8.290 nan 0.000 0.415 439 D N -0.897 119.613 120.400 0.184 0.000 2.144 439 D HA -0.173 4.829 4.640 0.602 0.000 0.200 439 D C 1.882 178.377 176.300 0.326 0.000 0.978 439 D CA 1.012 55.152 54.000 0.234 0.000 0.833 439 D CB -0.353 40.551 40.800 0.173 0.000 0.961 439 D HN 0.373 nan 8.370 nan 0.000 0.470 440 Y N 1.394 121.717 120.300 0.038 0.000 2.200 440 Y HA -0.092 4.817 4.550 0.598 0.000 0.290 440 Y C 2.223 178.117 175.900 -0.010 0.000 1.137 440 Y CA 1.472 59.383 58.100 -0.315 0.000 1.163 440 Y CB -0.422 37.826 38.460 -0.354 0.000 0.988 440 Y HN -0.055 nan 8.280 nan 0.000 0.518 441 A N -0.005 122.905 122.820 0.150 0.000 1.883 441 A HA -0.298 4.383 4.320 0.602 0.000 0.217 441 A C 2.155 179.878 177.584 0.233 0.000 1.186 441 A CA 2.070 54.218 52.037 0.184 0.000 0.624 441 A CB -0.970 18.218 19.000 0.314 0.000 0.822 441 A HN 0.556 nan 8.150 nan 0.000 0.444 442 Q N -0.242 119.694 119.800 0.227 0.000 2.084 442 Q HA -0.053 4.648 4.340 0.602 0.000 0.202 442 Q C 2.050 178.170 176.000 0.201 0.000 0.978 442 Q CA 2.146 58.103 55.803 0.258 0.000 0.844 442 Q CB -0.623 28.242 28.738 0.212 0.000 0.898 442 Q HN 0.576 nan 8.270 nan 0.000 0.426 443 A N 0.417 123.308 122.820 0.119 0.000 1.908 443 A HA -0.226 4.455 4.320 0.602 0.000 0.218 443 A C 2.023 179.601 177.584 -0.010 0.000 1.181 443 A CA 1.691 53.790 52.037 0.103 0.000 0.627 443 A CB -0.502 18.599 19.000 0.169 0.000 0.818 443 A HN 0.255 nan 8.150 nan 0.000 0.445 444 R N -1.335 119.032 120.500 -0.222 0.000 2.092 444 R HA -0.024 4.677 4.340 0.602 0.000 0.231 444 R C 1.777 177.919 176.300 -0.263 0.000 1.119 444 R CA 1.198 57.136 56.100 -0.270 0.000 0.970 444 R CB -1.155 28.890 30.300 -0.426 0.000 0.864 444 R HN 0.610 nan 8.270 nan 0.000 0.440 445 F N 1.492 121.386 119.950 -0.093 0.000 2.206 445 F HA -0.094 4.795 4.527 0.603 0.000 0.298 445 F C 1.967 177.788 175.800 0.035 0.000 1.090 445 F CA 1.115 59.049 58.000 -0.110 0.000 1.323 445 F CB -0.248 38.724 39.000 -0.048 0.000 1.028 445 F HN -0.024 nan 8.300 nan 0.000 0.492 446 D N 0.213 120.764 120.400 0.252 0.000 2.123 446 D HA -0.194 4.807 4.640 0.602 0.000 0.196 446 D C 2.333 178.680 176.300 0.079 0.000 0.992 446 D CA 1.545 55.671 54.000 0.210 0.000 0.833 446 D CB -0.581 40.313 40.800 0.158 0.000 0.954 446 D HN 0.253 nan 8.370 nan 0.000 0.455 447 A N -0.166 122.587 122.820 -0.111 0.000 1.929 447 A HA -0.172 4.509 4.320 0.602 0.000 0.216 447 A C 2.158 179.468 177.584 -0.456 0.000 1.176 447 A CA 1.086 52.917 52.037 -0.345 0.000 0.628 447 A CB -0.946 17.707 19.000 -0.579 0.000 0.816 447 A HN 0.346 nan 8.150 nan 0.000 0.444 448 Y N -0.263 119.677 120.300 -0.600 0.000 2.097 448 Y HA -0.269 4.641 4.550 0.600 0.000 0.282 448 Y C 1.922 177.641 175.900 -0.301 0.000 1.152 448 Y CA 2.284 60.132 58.100 -0.421 0.000 1.136 448 Y CB -0.485 37.680 38.460 -0.491 0.000 0.975 448 Y HN 0.267 nan 8.280 nan 0.000 0.498 449 F N -0.519 119.469 119.950 0.063 0.000 2.134 449 F HA -0.204 4.687 4.527 0.606 0.000 0.299 449 F C 2.816 178.570 175.800 -0.078 0.000 1.097 449 F CA 1.929 59.911 58.000 -0.030 0.000 1.264 449 F CB -1.249 37.771 39.000 0.033 0.000 1.001 449 F HN 0.278 nan 8.300 nan 0.000 0.479 450 H N 0.355 119.440 119.070 0.026 0.000 2.319 450 H HA -0.220 4.697 4.556 0.601 0.000 0.299 450 H C 2.229 177.483 175.328 -0.123 0.000 1.092 450 H CA 2.130 58.149 56.048 -0.048 0.000 1.302 450 H CB -0.147 29.574 29.762 -0.068 0.000 1.373 450 H HN 0.310 nan 8.280 nan 0.000 0.497 451 Q N 1.065 120.810 119.800 -0.091 0.000 2.124 451 Q HA -0.101 4.600 4.340 0.602 0.000 0.202 451 Q C 2.280 178.148 176.000 -0.219 0.000 0.977 451 Q CA 1.628 57.325 55.803 -0.177 0.000 0.850 451 Q CB 0.063 28.705 28.738 -0.160 0.000 0.901 451 Q HN 0.389 nan 8.270 nan 0.000 0.429 452 K N -0.210 120.030 120.400 -0.266 0.000 2.032 452 K HA -0.134 4.547 4.320 0.602 0.000 0.209 452 K C 2.223 178.734 176.600 -0.149 0.000 1.048 452 K CA 1.610 57.763 56.287 -0.223 0.000 0.927 452 K CB -0.147 32.214 32.500 -0.231 0.000 0.712 452 K HN 0.187 nan 8.250 nan 0.000 0.441 453 R N 0.978 121.390 120.500 -0.146 0.000 2.120 453 R HA -0.124 4.578 4.340 0.602 0.000 0.234 453 R C 2.318 178.504 176.300 -0.189 0.000 1.123 453 R CA 1.208 57.216 56.100 -0.153 0.000 0.975 453 R CB -0.141 30.057 30.300 -0.170 0.000 0.866 453 R HN 0.161 nan 8.270 nan 0.000 0.446 454 K N 1.061 121.313 120.400 -0.248 0.000 2.025 454 K HA -0.089 4.592 4.320 0.602 0.000 0.207 454 K C 1.875 178.399 176.600 -0.126 0.000 1.049 454 K CA 1.137 57.303 56.287 -0.202 0.000 0.933 454 K CB 0.020 32.394 32.500 -0.211 0.000 0.714 454 K HN 0.126 nan 8.250 nan 0.000 0.438 455 L N -0.223 120.927 121.223 -0.121 0.000 2.478 455 L HA 0.058 4.759 4.340 0.602 0.000 0.223 455 L C 0.959 177.785 176.870 -0.073 0.000 1.140 455 L CA 0.565 55.352 54.840 -0.087 0.000 0.842 455 L CB -0.063 41.941 42.059 -0.093 0.000 0.953 455 L HN 0.556 nan 8.230 nan 0.000 0.452 456 G N 0.931 109.683 108.800 -0.080 0.000 2.225 456 G HA2 -0.221 4.101 3.960 0.602 0.000 0.264 456 G HA3 -0.221 4.101 3.960 0.602 0.000 0.264 456 G C 0.087 174.956 174.900 -0.052 0.000 1.060 456 G CA 0.343 45.407 45.100 -0.060 0.000 0.833 456 G HN 0.291 nan 8.290 nan 0.000 0.498 457 V N 0.000 119.876 119.914 -0.063 0.000 2.409 457 V HA 0.000 4.481 4.120 0.602 0.000 0.244 457 V CA 0.000 62.268 62.300 -0.053 0.000 1.235 457 V CB 0.000 31.780 31.823 -0.071 0.000 1.184 457 V HN 0.000 nan 8.190 nan 0.000 0.556