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 1dx9_1_D DATA FIRST_RESID 2 DATA SEQUENCE KKIGLFYGTQ TGKTESVAEI IRDEFGNDVV TLHDVSQAEV TDLNDYQYLI DATA SEQUENCE IGCPTANIGE LQSDWEGLYS ELDDVDFNGK LVAYFGTGDQ IGYADNFQDA DATA SEQUENCE IGILEEKISQ RGGKTVGYWS TDGYDFNDSK ALRNGKFVGL ALDEDNQSDL DATA SEQUENCE TDDRIKSWVA QLKSEFGL 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.755 176.600 0.258 0.000 0.988 2 K CA 0.000 56.407 56.287 0.200 0.000 0.838 2 K CB 0.000 32.629 32.500 0.215 0.000 1.064 3 K N 0.373 120.877 120.400 0.173 0.000 2.262 3 K HA 0.192 4.511 4.320 -0.001 0.000 0.200 3 K C 0.359 177.115 176.600 0.262 0.000 1.049 3 K CA 0.190 56.591 56.287 0.191 0.000 0.979 3 K CB 0.261 32.831 32.500 0.117 0.000 0.773 3 K HN 0.309 nan 8.250 nan 0.000 0.474 4 I N 1.892 122.528 120.570 0.111 0.000 2.406 4 I HA 0.303 4.472 4.170 -0.001 0.000 0.290 4 I C -0.380 175.635 176.117 -0.171 0.000 0.999 4 I CA -1.137 60.138 61.300 -0.041 0.000 1.124 4 I CB 2.017 39.817 38.000 -0.333 0.000 1.289 4 I HN 0.123 nan 8.210 nan 0.000 0.441 5 G N 6.808 115.355 108.800 -0.421 0.000 2.370 5 G HA2 0.588 4.547 3.960 -0.001 0.000 0.317 5 G HA3 0.588 4.547 3.960 -0.001 0.000 0.317 5 G C -1.150 173.633 174.900 -0.196 0.000 1.162 5 G CA -0.416 44.183 45.100 -0.836 0.000 0.922 5 G HN 0.536 nan 8.290 nan 0.000 0.454 6 L N 2.882 124.030 121.223 -0.125 0.000 2.276 6 L HA 0.641 4.981 4.340 -0.001 0.000 0.286 6 L C -1.228 175.690 176.870 0.079 0.000 1.024 6 L CA -0.894 54.019 54.840 0.122 0.000 0.826 6 L CB 0.616 42.768 42.059 0.155 0.000 1.211 6 L HN 0.364 nan 8.230 nan 0.000 0.422 7 F N 5.584 125.695 119.950 0.268 0.000 2.426 7 F HA 0.466 4.992 4.527 -0.001 0.000 0.348 7 F C -0.248 175.786 175.800 0.389 0.000 1.124 7 F CA -0.505 57.638 58.000 0.237 0.000 1.008 7 F CB 1.077 40.161 39.000 0.140 0.000 1.139 7 F HN 0.356 nan 8.300 nan 0.000 0.452 8 Y N 0.479 120.937 120.300 0.265 0.000 2.576 8 Y HA 0.960 5.510 4.550 -0.000 0.000 0.346 8 Y C -0.512 175.462 175.900 0.122 0.000 1.018 8 Y CA -2.158 56.105 58.100 0.271 0.000 1.050 8 Y CB 1.408 39.988 38.460 0.199 0.000 1.280 8 Y HN 0.656 nan 8.280 nan 0.000 0.474 9 G N 0.072 109.024 108.800 0.254 0.000 2.481 9 G HA2 0.559 4.519 3.960 -0.001 0.000 0.315 9 G HA3 0.559 4.519 3.960 -0.001 0.000 0.315 9 G C -1.563 173.467 174.900 0.217 0.000 1.231 9 G CA -0.985 44.151 45.100 0.061 0.000 0.968 9 G HN 0.839 nan 8.290 nan 0.000 0.482 10 T N -0.271 114.368 114.554 0.140 0.000 2.932 10 T HA 0.388 4.738 4.350 -0.001 0.000 0.318 10 T C 0.215 174.966 174.700 0.084 0.000 1.265 10 T CA -0.357 61.835 62.100 0.152 0.000 1.036 10 T CB 2.167 71.177 68.868 0.236 0.000 1.209 10 T HN 0.424 nan 8.240 nan 0.000 0.484 11 Q N 0.836 120.675 119.800 0.066 0.000 2.387 11 Q HA 0.218 4.558 4.340 -0.001 0.000 0.208 11 Q C 1.685 177.712 176.000 0.046 0.000 0.935 11 Q CA 1.208 57.038 55.803 0.045 0.000 0.891 11 Q CB 0.625 29.384 28.738 0.035 0.000 1.007 11 Q HN 0.794 nan 8.270 nan 0.000 0.548 12 T N -4.401 110.182 114.554 0.048 0.000 3.200 12 T HA 0.481 4.831 4.350 -0.001 0.000 0.284 12 T C 0.981 175.708 174.700 0.045 0.000 1.009 12 T CA 0.229 62.354 62.100 0.042 0.000 0.907 12 T CB 0.992 69.882 68.868 0.037 0.000 1.120 12 T HN 0.378 nan 8.240 nan 0.000 0.534 13 G N 1.846 110.683 108.800 0.061 0.000 2.195 13 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.246 13 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.246 13 G C 1.095 176.020 174.900 0.042 0.000 0.984 13 G CA 0.250 45.385 45.100 0.058 0.000 0.633 13 G HN 0.384 nan 8.290 nan 0.000 0.525 14 K N 0.529 120.955 120.400 0.044 0.000 2.025 14 K HA 0.015 4.335 4.320 -0.001 0.000 0.207 14 K C 2.554 179.179 176.600 0.042 0.000 1.049 14 K CA 1.855 58.162 56.287 0.034 0.000 0.933 14 K CB -1.055 31.467 32.500 0.036 0.000 0.714 14 K HN 0.430 nan 8.250 nan 0.000 0.438 15 T N 1.106 115.706 114.554 0.077 0.000 2.915 15 T HA -0.129 4.221 4.350 -0.001 0.000 0.269 15 T C 1.803 176.521 174.700 0.031 0.000 1.071 15 T CA 1.354 63.535 62.100 0.134 0.000 1.132 15 T CB 0.016 68.979 68.868 0.157 0.000 0.878 15 T HN 0.402 nan 8.240 nan 0.000 0.479 16 E N 0.862 121.029 120.200 -0.055 0.000 2.072 16 E HA -0.085 4.265 4.350 -0.001 0.000 0.190 16 E C 2.259 178.731 176.600 -0.213 0.000 0.982 16 E CA 1.046 57.271 56.400 -0.292 0.000 0.803 16 E CB -0.007 29.664 29.700 -0.049 0.000 0.755 16 E HN 0.335 nan 8.360 nan 0.000 0.453 17 S N 0.057 115.702 115.700 -0.091 0.000 2.368 17 S HA -0.143 4.327 4.470 -0.001 0.000 0.225 17 S C 2.035 176.580 174.600 -0.091 0.000 1.030 17 S CA 1.165 59.321 58.200 -0.074 0.000 0.999 17 S CB -0.217 62.961 63.200 -0.037 0.000 0.844 17 S HN 0.148 nan 8.310 nan 0.000 0.459 18 V N 2.093 121.961 119.914 -0.077 0.000 2.407 18 V HA -0.210 3.909 4.120 -0.001 0.000 0.248 18 V C 2.642 178.615 176.094 -0.202 0.000 1.055 18 V CA 1.624 63.852 62.300 -0.120 0.000 1.049 18 V CB -1.221 30.564 31.823 -0.064 0.000 0.662 18 V HN 0.548 nan 8.190 nan 0.000 0.455 19 A N -0.293 122.422 122.820 -0.176 0.000 1.902 19 A HA -0.250 4.069 4.320 -0.001 0.000 0.217 19 A C 2.164 179.656 177.584 -0.154 0.000 1.181 19 A CA 1.913 53.835 52.037 -0.192 0.000 0.623 19 A CB -0.431 18.341 19.000 -0.380 0.000 0.818 19 A HN 0.639 nan 8.150 nan 0.000 0.443 20 E N -0.389 119.721 120.200 -0.150 0.000 2.106 20 E HA -0.109 4.240 4.350 -0.001 0.000 0.192 20 E C 1.835 178.398 176.600 -0.061 0.000 0.984 20 E CA 1.073 57.417 56.400 -0.093 0.000 0.806 20 E CB -0.268 29.383 29.700 -0.083 0.000 0.750 20 E HN 0.719 nan 8.360 nan 0.000 0.458 21 I N 0.923 121.447 120.570 -0.076 0.000 2.252 21 I HA -0.253 3.917 4.170 -0.001 0.000 0.245 21 I C 2.330 178.420 176.117 -0.045 0.000 1.102 21 I CA 0.980 62.243 61.300 -0.062 0.000 1.385 21 I CB -0.183 37.769 38.000 -0.079 0.000 1.064 21 I HN 0.088 nan 8.210 nan 0.000 0.414 22 I N 0.350 120.885 120.570 -0.057 0.000 2.226 22 I HA -0.299 3.871 4.170 -0.001 0.000 0.245 22 I C 2.837 179.060 176.117 0.177 0.000 1.100 22 I CA 1.156 62.476 61.300 0.033 0.000 1.374 22 I CB -0.464 37.536 38.000 0.000 0.000 1.057 22 I HN 0.238 nan 8.210 nan 0.000 0.413 23 R N 1.176 121.735 120.500 0.098 0.000 2.083 23 R HA -0.222 4.118 4.340 -0.001 0.000 0.237 23 R C 1.686 178.052 176.300 0.109 0.000 1.137 23 R CA 2.302 58.465 56.100 0.104 0.000 0.951 23 R CB -0.460 29.850 30.300 0.016 0.000 0.851 23 R HN 0.330 nan 8.270 nan 0.000 0.434 24 D N 0.594 121.023 120.400 0.048 0.000 2.117 24 D HA -0.132 4.508 4.640 -0.001 0.000 0.198 24 D C 1.862 178.175 176.300 0.022 0.000 0.982 24 D CA 0.907 54.923 54.000 0.027 0.000 0.828 24 D CB -0.236 40.562 40.800 -0.003 0.000 0.967 24 D HN 0.265 nan 8.370 nan 0.000 0.464 25 E N -0.184 120.013 120.200 -0.004 0.000 2.204 25 E HA -0.112 4.238 4.350 -0.001 0.000 0.195 25 E C 1.856 178.369 176.600 -0.146 0.000 0.990 25 E CA 0.308 56.654 56.400 -0.089 0.000 0.821 25 E CB -0.275 29.331 29.700 -0.157 0.000 0.750 25 E HN 0.358 nan 8.360 nan 0.000 0.477 26 F N 0.149 120.081 119.950 -0.030 0.000 2.502 26 F HA -0.006 4.522 4.527 0.000 0.000 0.298 26 F C 2.009 177.796 175.800 -0.022 0.000 1.111 26 F CA 0.957 58.940 58.000 -0.027 0.000 1.445 26 F CB -0.125 38.861 39.000 -0.023 0.000 1.081 26 F HN 0.138 nan 8.300 nan 0.000 0.558 27 G N 0.579 109.449 108.800 0.116 0.000 2.889 27 G HA2 -0.388 3.572 3.960 -0.001 0.000 0.308 27 G HA3 -0.388 3.572 3.960 -0.001 0.000 0.308 27 G C 1.041 175.979 174.900 0.064 0.000 1.248 27 G CA 0.422 45.557 45.100 0.058 0.000 0.982 27 G HN 0.279 nan 8.290 nan 0.000 0.571 28 N N 2.993 121.728 118.700 0.059 0.000 2.314 28 N HA 0.158 4.898 4.740 -0.001 0.000 0.200 28 N C -0.451 175.092 175.510 0.054 0.000 1.135 28 N CA 0.684 53.761 53.050 0.047 0.000 0.835 28 N CB 0.266 38.773 38.487 0.033 0.000 0.989 28 N HN 0.564 nan 8.380 nan 0.000 0.478 29 D N 0.380 120.831 120.400 0.085 0.000 2.252 29 D HA 0.139 4.779 4.640 -0.001 0.000 0.245 29 D C -0.471 175.851 176.300 0.037 0.000 1.009 29 D CA -0.429 53.604 54.000 0.056 0.000 0.870 29 D CB 3.299 44.137 40.800 0.064 0.000 1.251 29 D HN -0.254 nan 8.370 nan 0.000 0.460 30 V N 2.436 122.352 119.914 0.003 0.000 2.333 30 V HA 0.257 4.377 4.120 -0.001 0.000 0.274 30 V C -0.460 175.611 176.094 -0.039 0.000 1.028 30 V CA -0.424 61.876 62.300 0.001 0.000 0.851 30 V CB 1.026 32.861 31.823 0.020 0.000 1.000 30 V HN 0.313 nan 8.190 nan 0.000 0.456 31 V N 7.055 126.928 119.914 -0.069 0.000 2.370 31 V HA 0.711 4.830 4.120 -0.001 0.000 0.279 31 V C 0.286 176.340 176.094 -0.067 0.000 1.029 31 V CA 0.375 62.605 62.300 -0.117 0.000 0.870 31 V CB 1.584 33.280 31.823 -0.211 0.000 0.984 31 V HN 1.055 nan 8.190 nan 0.000 0.451 32 T N 5.243 119.762 114.554 -0.057 0.000 2.882 32 T HA 0.674 5.023 4.350 -0.001 0.000 0.287 32 T C -0.530 174.039 174.700 -0.218 0.000 0.992 32 T CA -0.645 61.389 62.100 -0.110 0.000 1.076 32 T CB 1.312 70.189 68.868 0.015 0.000 0.961 32 T HN 0.553 nan 8.240 nan 0.000 0.490 33 L N 3.627 124.661 121.223 -0.314 0.000 2.295 33 L HA 0.423 4.763 4.340 -0.001 0.000 0.285 33 L C 0.158 176.750 176.870 -0.462 0.000 1.035 33 L CA -0.288 54.443 54.840 -0.181 0.000 0.806 33 L CB 0.797 42.843 42.059 -0.021 0.000 1.214 33 L HN 0.749 nan 8.230 nan 0.000 0.426 34 H N 1.877 120.832 119.070 -0.192 0.000 3.013 34 H HA 0.186 4.742 4.556 -0.001 0.000 0.326 34 H C -1.155 173.849 175.328 -0.539 0.000 0.973 34 H CA -0.820 54.983 56.048 -0.409 0.000 1.369 34 H CB 2.132 31.347 29.762 -0.912 0.000 1.598 34 H HN 0.480 nan 8.280 nan 0.000 0.518 35 D N 3.221 123.335 120.400 -0.478 0.000 2.371 35 D HA -0.010 4.630 4.640 -0.001 0.000 0.256 35 D C 1.480 177.527 176.300 -0.422 0.000 1.193 35 D CA -0.091 53.467 54.000 -0.735 0.000 0.881 35 D CB 1.617 42.165 40.800 -0.420 0.000 1.143 35 D HN 0.407 nan 8.370 nan 0.000 0.473 36 V N 2.063 121.676 119.914 -0.501 0.000 3.141 36 V HA -0.139 3.981 4.120 -0.001 0.000 0.265 36 V C 1.951 177.846 176.094 -0.331 0.000 1.126 36 V CA 1.506 63.532 62.300 -0.455 0.000 1.141 36 V CB -0.937 30.318 31.823 -0.947 0.000 0.743 36 V HN 0.542 nan 8.190 nan 0.000 0.492 37 S N -0.151 115.387 115.700 -0.271 0.000 2.474 37 S HA -0.105 4.365 4.470 -0.001 0.000 0.235 37 S C 1.781 176.311 174.600 -0.116 0.000 0.997 37 S CA 0.970 59.070 58.200 -0.167 0.000 0.949 37 S CB -0.291 62.832 63.200 -0.128 0.000 0.766 37 S HN 0.669 nan 8.310 nan 0.000 0.517 38 Q N 0.547 120.277 119.800 -0.116 0.000 2.316 38 Q HA 0.501 4.841 4.340 -0.001 0.000 0.235 38 Q C 0.785 176.765 176.000 -0.032 0.000 0.863 38 Q CA 0.552 56.316 55.803 -0.064 0.000 0.939 38 Q CB 0.109 28.813 28.738 -0.057 0.000 1.108 38 Q HN 0.633 nan 8.270 nan 0.000 0.522 39 A N 1.370 124.170 122.820 -0.032 0.000 2.332 39 A HA 0.312 4.631 4.320 -0.001 0.000 0.258 39 A C -0.214 177.378 177.584 0.014 0.000 1.087 39 A CA -0.175 51.891 52.037 0.048 0.000 0.802 39 A CB 0.437 19.531 19.000 0.157 0.000 1.042 39 A HN 0.026 nan 8.150 nan 0.000 0.489 40 E N 0.057 120.281 120.200 0.040 0.000 2.242 40 E HA 0.343 4.693 4.350 -0.001 0.000 0.275 40 E C 0.718 177.303 176.600 -0.024 0.000 1.002 40 E CA -0.256 56.145 56.400 0.002 0.000 0.841 40 E CB 1.674 31.378 29.700 0.006 0.000 1.109 40 E HN 0.352 nan 8.360 nan 0.000 0.394 41 V N 3.063 122.947 119.914 -0.051 0.000 2.720 41 V HA -0.204 3.916 4.120 -0.001 0.000 0.256 41 V C 1.677 177.706 176.094 -0.108 0.000 1.082 41 V CA 2.603 64.855 62.300 -0.080 0.000 1.101 41 V CB -0.584 31.211 31.823 -0.046 0.000 0.693 41 V HN 0.977 nan 8.190 nan 0.000 0.479 42 T N -3.596 110.912 114.554 -0.078 0.000 2.995 42 T HA -0.132 4.217 4.350 -0.001 0.000 0.269 42 T C 1.472 176.129 174.700 -0.072 0.000 1.091 42 T CA 1.092 63.140 62.100 -0.087 0.000 1.128 42 T CB -0.479 68.352 68.868 -0.062 0.000 0.891 42 T HN 0.453 nan 8.240 nan 0.000 0.492 43 D N 1.611 121.999 120.400 -0.021 0.000 2.182 43 D HA -0.012 4.628 4.640 -0.001 0.000 0.201 43 D C 1.896 178.247 176.300 0.086 0.000 0.986 43 D CA 0.667 54.719 54.000 0.087 0.000 0.847 43 D CB -0.344 40.598 40.800 0.237 0.000 0.942 43 D HN 0.400 nan 8.370 nan 0.000 0.467 44 L N 0.183 121.300 121.223 -0.175 0.000 2.201 44 L HA -0.099 4.241 4.340 -0.001 0.000 0.212 44 L C 1.805 178.595 176.870 -0.133 0.000 1.105 44 L CA 0.769 55.443 54.840 -0.277 0.000 0.775 44 L CB -0.334 41.488 42.059 -0.394 0.000 0.913 44 L HN 0.010 nan 8.230 nan 0.000 0.440 45 N N -0.272 118.317 118.700 -0.186 0.000 2.364 45 N HA -0.172 4.568 4.740 -0.001 0.000 0.183 45 N C 0.979 176.381 175.510 -0.180 0.000 1.022 45 N CA 0.750 53.676 53.050 -0.207 0.000 0.883 45 N CB 0.073 38.444 38.487 -0.193 0.000 0.965 45 N HN 0.275 nan 8.380 nan 0.000 0.438 46 D N -0.640 119.637 120.400 -0.205 0.000 2.348 46 D HA -0.048 4.591 4.640 -0.001 0.000 0.216 46 D C -0.444 175.485 176.300 -0.618 0.000 0.970 46 D CA 0.917 54.658 54.000 -0.433 0.000 0.889 46 D CB 0.143 40.593 40.800 -0.583 0.000 0.912 46 D HN 0.311 nan 8.370 nan 0.000 0.524 47 Y N -0.240 120.018 120.300 -0.069 0.000 2.468 47 Y HA 0.294 4.843 4.550 -0.000 0.000 0.342 47 Y C 1.269 177.070 175.900 -0.166 0.000 1.021 47 Y CA -0.836 57.219 58.100 -0.074 0.000 1.079 47 Y CB 1.575 40.044 38.460 0.016 0.000 1.226 47 Y HN -0.404 nan 8.280 nan 0.000 0.460 48 Q N 0.643 120.346 119.800 -0.162 0.000 2.339 48 Q HA 0.146 4.486 4.340 -0.001 0.000 0.205 48 Q C -1.207 174.438 176.000 -0.591 0.000 0.925 48 Q CA 0.805 56.346 55.803 -0.436 0.000 0.898 48 Q CB 0.324 28.647 28.738 -0.691 0.000 1.013 48 Q HN 0.615 nan 8.270 nan 0.000 0.504 49 Y N -0.125 120.106 120.300 -0.115 0.000 2.328 49 Y HA 0.533 5.083 4.550 -0.000 0.000 0.336 49 Y C -0.604 175.197 175.900 -0.165 0.000 0.960 49 Y CA -0.856 57.031 58.100 -0.356 0.000 1.134 49 Y CB 0.945 38.871 38.460 -0.890 0.000 1.166 49 Y HN -0.175 nan 8.280 nan 0.000 0.464 50 L N 4.954 126.231 121.223 0.089 0.000 2.362 50 L HA 0.658 4.997 4.340 -0.001 0.000 0.271 50 L C -0.755 176.218 176.870 0.172 0.000 1.002 50 L CA -0.776 54.142 54.840 0.130 0.000 0.818 50 L CB 2.185 44.331 42.059 0.145 0.000 1.298 50 L HN 0.556 nan 8.230 nan 0.000 0.420 51 I N 3.914 124.607 120.570 0.205 0.000 2.436 51 I HA 0.404 4.573 4.170 -0.001 0.000 0.289 51 I C -0.770 175.523 176.117 0.294 0.000 1.010 51 I CA -0.602 60.858 61.300 0.265 0.000 1.098 51 I CB 2.197 40.419 38.000 0.371 0.000 1.266 51 I HN 0.300 nan 8.210 nan 0.000 0.434 52 I N 4.963 125.603 120.570 0.117 0.000 2.362 52 I HA 0.462 4.632 4.170 -0.001 0.000 0.289 52 I C 0.456 176.504 176.117 -0.115 0.000 0.994 52 I CA -0.293 61.055 61.300 0.080 0.000 1.158 52 I CB 1.374 39.261 38.000 -0.188 0.000 1.315 52 I HN 0.623 nan 8.210 nan 0.000 0.451 53 G N 4.782 113.485 108.800 -0.162 0.000 2.478 53 G HA2 0.552 4.512 3.960 -0.001 0.000 0.317 53 G HA3 0.552 4.512 3.960 -0.001 0.000 0.317 53 G C -1.393 173.320 174.900 -0.311 0.000 1.259 53 G CA -0.352 44.182 45.100 -0.944 0.000 0.933 53 G HN 0.654 nan 8.290 nan 0.000 0.478 54 C N 4.841 123.861 119.300 -0.467 0.000 2.701 54 C HA 0.749 5.208 4.460 -0.001 0.000 0.336 54 C C -2.478 172.359 174.990 -0.256 0.000 1.123 54 C CA -1.554 57.315 59.018 -0.247 0.000 1.326 54 C CB 2.100 29.536 27.740 -0.506 0.000 1.833 54 C HN 0.623 nan 8.230 nan 0.000 0.473 55 P HA 0.181 nan 4.420 nan 0.000 0.274 55 P C -0.290 176.884 177.300 -0.210 0.000 1.231 55 P CA 0.406 63.415 63.100 -0.151 0.000 0.790 55 P CB 0.443 32.103 31.700 -0.067 0.000 0.951 56 T N 1.745 116.136 114.554 -0.271 0.000 2.866 56 T HA 0.205 4.555 4.350 -0.001 0.000 0.293 56 T C 0.735 175.235 174.700 -0.334 0.000 1.005 56 T CA 0.339 62.235 62.100 -0.340 0.000 1.162 56 T CB -0.166 68.452 68.868 -0.417 0.000 0.968 56 T HN 0.492 nan 8.240 nan 0.000 0.530 57 A N 4.324 126.980 122.820 -0.274 0.000 2.425 57 A HA 0.220 4.540 4.320 -0.001 0.000 0.249 57 A C 1.479 178.935 177.584 -0.213 0.000 1.084 57 A CA -0.675 51.251 52.037 -0.186 0.000 0.781 57 A CB 0.239 19.167 19.000 -0.120 0.000 1.019 57 A HN 0.908 nan 8.150 nan 0.000 0.490 58 N N 0.544 119.192 118.700 -0.086 0.000 2.080 58 N HA -0.084 4.655 4.740 -0.001 0.000 0.189 58 N C 0.197 175.774 175.510 0.112 0.000 1.036 58 N CA 1.255 54.337 53.050 0.053 0.000 0.846 58 N CB -0.181 38.352 38.487 0.076 0.000 1.015 58 N HN 0.668 nan 8.380 nan 0.000 0.423 59 I N 0.016 120.617 120.570 0.052 0.000 2.465 59 I HA 0.490 4.659 4.170 -0.001 0.000 0.291 59 I C 0.449 176.576 176.117 0.016 0.000 1.014 59 I CA 0.160 61.490 61.300 0.050 0.000 1.093 59 I CB 1.251 39.276 38.000 0.042 0.000 1.267 59 I HN 0.482 nan 8.210 nan 0.000 0.431 60 G N 6.398 115.208 108.800 0.017 0.000 2.553 60 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.242 60 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.242 60 G C 0.293 175.170 174.900 -0.039 0.000 1.277 60 G CA 0.252 45.345 45.100 -0.011 0.000 0.910 60 G HN 0.605 nan 8.290 nan 0.000 0.576 61 E N -0.655 119.501 120.200 -0.074 0.000 2.330 61 E HA 0.292 4.642 4.350 -0.001 0.000 0.200 61 E C 1.013 177.519 176.600 -0.156 0.000 0.922 61 E CA 0.470 56.800 56.400 -0.116 0.000 0.935 61 E CB 0.578 30.197 29.700 -0.135 0.000 0.917 61 E HN 0.426 nan 8.360 nan 0.000 0.491 62 L N 1.769 122.909 121.223 -0.138 0.000 2.362 62 L HA 0.279 4.619 4.340 -0.001 0.000 0.271 62 L C 0.315 177.158 176.870 -0.043 0.000 1.002 62 L CA -0.791 53.976 54.840 -0.123 0.000 0.818 62 L CB 2.298 44.269 42.059 -0.146 0.000 1.298 62 L HN -0.076 nan 8.230 nan 0.000 0.420 63 Q N 1.197 120.994 119.800 -0.005 0.000 2.315 63 Q HA -0.023 4.317 4.340 -0.001 0.000 0.289 63 Q C 1.065 177.113 176.000 0.081 0.000 1.044 63 Q CA 0.547 56.376 55.803 0.044 0.000 0.920 63 Q CB 1.361 30.153 28.738 0.090 0.000 1.214 63 Q HN 0.882 nan 8.270 nan 0.000 0.392 64 S N 3.264 118.992 115.700 0.046 0.000 2.400 64 S HA -0.181 4.289 4.470 -0.001 0.000 0.232 64 S C 0.918 175.540 174.600 0.037 0.000 1.025 64 S CA 1.579 59.801 58.200 0.037 0.000 0.993 64 S CB 0.032 63.243 63.200 0.019 0.000 0.808 64 S HN 0.690 nan 8.310 nan 0.000 0.478 65 D N 0.370 120.782 120.400 0.019 0.000 2.144 65 D HA -0.025 4.614 4.640 -0.001 0.000 0.200 65 D C 1.377 177.636 176.300 -0.070 0.000 0.978 65 D CA 0.859 54.826 54.000 -0.056 0.000 0.833 65 D CB -0.344 40.381 40.800 -0.126 0.000 0.961 65 D HN 0.620 nan 8.370 nan 0.000 0.470 66 W N 1.313 122.605 121.300 -0.013 0.000 2.467 66 W HA -0.056 4.604 4.660 -0.000 0.000 0.275 66 W C 2.403 178.941 176.519 0.031 0.000 1.239 66 W CA 0.248 57.596 57.345 0.006 0.000 1.266 66 W CB 0.119 29.566 29.460 -0.022 0.000 1.112 66 W HN -0.035 nan 8.180 nan 0.000 0.576 67 E N -0.060 120.274 120.200 0.222 0.000 2.097 67 E HA -0.181 4.169 4.350 -0.001 0.000 0.196 67 E C 2.410 179.116 176.600 0.176 0.000 1.000 67 E CA 2.111 58.599 56.400 0.146 0.000 0.804 67 E CB -0.745 28.996 29.700 0.069 0.000 0.740 67 E HN 0.182 nan 8.360 nan 0.000 0.454 68 G N 0.201 109.070 108.800 0.114 0.000 2.404 68 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.215 68 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.215 68 G C 1.451 176.411 174.900 0.099 0.000 1.174 68 G CA 0.748 45.897 45.100 0.082 0.000 0.780 68 G HN 0.301 nan 8.290 nan 0.000 0.537 69 L N -0.468 120.811 121.223 0.094 0.000 2.201 69 L HA 0.100 4.439 4.340 -0.001 0.000 0.212 69 L C 2.418 179.418 176.870 0.217 0.000 1.105 69 L CA 1.106 55.999 54.840 0.088 0.000 0.775 69 L CB -0.676 41.348 42.059 -0.059 0.000 0.913 69 L HN 0.372 nan 8.230 nan 0.000 0.440 70 Y N -0.130 120.288 120.300 0.196 0.000 2.315 70 Y HA -0.284 4.266 4.550 -0.001 0.000 0.288 70 Y C 2.677 178.635 175.900 0.096 0.000 1.154 70 Y CA 1.621 59.822 58.100 0.169 0.000 1.229 70 Y CB -0.337 38.206 38.460 0.138 0.000 0.980 70 Y HN 0.438 nan 8.280 nan 0.000 0.540 71 S N -0.909 114.850 115.700 0.099 0.000 2.453 71 S HA -0.130 4.340 4.470 -0.001 0.000 0.231 71 S C 1.446 176.023 174.600 -0.037 0.000 1.005 71 S CA 1.267 59.472 58.200 0.008 0.000 0.949 71 S CB -0.315 62.925 63.200 0.065 0.000 0.774 71 S HN 0.676 nan 8.310 nan 0.000 0.510 72 E N 0.563 120.756 120.200 -0.011 0.000 2.474 72 E HA 0.292 4.642 4.350 -0.001 0.000 0.195 72 E C 1.369 177.967 176.600 -0.003 0.000 1.039 72 E CA -0.134 56.261 56.400 -0.009 0.000 0.881 72 E CB -0.046 29.654 29.700 0.001 0.000 0.970 72 E HN 0.474 nan 8.360 nan 0.000 0.486 73 L N 1.098 122.314 121.223 -0.012 0.000 2.362 73 L HA -0.131 4.209 4.340 -0.001 0.000 0.219 73 L C 1.386 178.294 176.870 0.064 0.000 1.134 73 L CA 0.648 55.528 54.840 0.066 0.000 0.807 73 L CB -0.058 42.008 42.059 0.012 0.000 0.927 73 L HN 0.043 nan 8.230 nan 0.000 0.447 74 D N -0.155 120.231 120.400 -0.022 0.000 2.347 74 D HA -0.109 4.531 4.640 -0.001 0.000 0.215 74 D C 1.200 177.499 176.300 -0.001 0.000 0.976 74 D CA 0.746 54.739 54.000 -0.012 0.000 0.884 74 D CB 0.055 40.829 40.800 -0.043 0.000 0.915 74 D HN 0.274 nan 8.370 nan 0.000 0.526 75 D N -0.138 120.258 120.400 -0.007 0.000 2.340 75 D HA 0.008 4.647 4.640 -0.001 0.000 0.220 75 D C 0.332 176.605 176.300 -0.046 0.000 1.039 75 D CA 0.161 54.147 54.000 -0.024 0.000 0.866 75 D CB 0.985 41.768 40.800 -0.029 0.000 0.913 75 D HN 0.018 nan 8.370 nan 0.000 0.523 76 V N 0.145 120.036 119.914 -0.039 0.000 2.789 76 V HA 0.330 4.450 4.120 -0.001 0.000 0.311 76 V C -1.664 174.352 176.094 -0.130 0.000 1.073 76 V CA -0.901 61.308 62.300 -0.151 0.000 0.921 76 V CB 2.901 34.551 31.823 -0.287 0.000 1.009 76 V HN -0.249 nan 8.190 nan 0.000 0.426 77 D N 3.859 124.135 120.400 -0.207 0.000 2.193 77 D HA 0.389 5.028 4.640 -0.001 0.000 0.244 77 D C -0.121 176.041 176.300 -0.230 0.000 1.064 77 D CA -0.065 53.878 54.000 -0.095 0.000 0.845 77 D CB 1.550 42.312 40.800 -0.064 0.000 1.148 77 D HN 0.479 nan 8.370 nan 0.000 0.464 78 F N 1.402 121.342 119.950 -0.017 0.000 2.678 78 F HA 0.166 4.692 4.527 -0.000 0.000 0.305 78 F C 1.000 176.797 175.800 -0.004 0.000 1.090 78 F CA -0.683 57.310 58.000 -0.011 0.000 1.272 78 F CB -0.122 38.881 39.000 0.006 0.000 1.060 78 F HN 0.234 nan 8.300 nan 0.000 0.576 79 N N 0.998 119.778 118.700 0.132 0.000 2.411 79 N HA 0.269 5.009 4.740 -0.001 0.000 0.261 79 N C 1.107 176.643 175.510 0.043 0.000 1.248 79 N CA 1.575 54.674 53.050 0.082 0.000 0.885 79 N CB 0.552 39.069 38.487 0.051 0.000 1.062 79 N HN 0.455 nan 8.380 nan 0.000 0.471 80 G N 2.264 111.093 108.800 0.048 0.000 2.194 80 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.236 80 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.236 80 G C -0.128 174.775 174.900 0.004 0.000 0.987 80 G CA 0.042 45.151 45.100 0.016 0.000 0.635 80 G HN 0.619 nan 8.290 nan 0.000 0.520 81 K N 0.038 120.469 120.400 0.052 0.000 2.130 81 K HA 0.658 4.978 4.320 -0.001 0.000 0.268 81 K C -0.628 176.042 176.600 0.116 0.000 0.983 81 K CA -0.898 55.422 56.287 0.055 0.000 0.893 81 K CB 1.565 34.148 32.500 0.140 0.000 1.066 81 K HN -0.000 nan 8.250 nan 0.000 0.450 82 L N 2.866 124.161 121.223 0.120 0.000 2.282 82 L HA 0.388 4.727 4.340 -0.001 0.000 0.288 82 L C -0.672 176.387 176.870 0.315 0.000 1.033 82 L CA -0.590 54.411 54.840 0.268 0.000 0.807 82 L CB 1.607 43.933 42.059 0.445 0.000 1.209 82 L HN 0.311 nan 8.230 nan 0.000 0.423 83 V N 2.581 122.649 119.914 0.256 0.000 2.588 83 V HA 0.897 5.016 4.120 -0.001 0.000 0.304 83 V C 0.000 176.106 176.094 0.020 0.000 1.042 83 V CA -0.802 61.561 62.300 0.105 0.000 0.877 83 V CB 1.524 33.334 31.823 -0.021 0.000 0.996 83 V HN 0.863 nan 8.190 nan 0.000 0.425 84 A N 3.865 126.657 122.820 -0.046 0.000 2.354 84 A HA 0.982 5.301 4.320 -0.001 0.000 0.321 84 A C -1.672 175.794 177.584 -0.198 0.000 1.125 84 A CA -0.534 51.515 52.037 0.020 0.000 0.799 84 A CB 1.377 20.434 19.000 0.095 0.000 1.293 84 A HN 0.738 nan 8.150 nan 0.000 0.452 85 Y N -0.381 120.140 120.300 0.368 0.000 2.477 85 Y HA 0.621 5.171 4.550 -0.001 0.000 0.347 85 Y C -0.518 175.439 175.900 0.095 0.000 0.981 85 Y CA -0.717 57.474 58.100 0.153 0.000 1.033 85 Y CB 2.097 40.517 38.460 -0.066 0.000 1.245 85 Y HN 0.767 nan 8.280 nan 0.000 0.455 86 F N -0.481 119.412 119.950 -0.096 0.000 2.631 86 F HA 1.026 5.552 4.527 -0.000 0.000 0.308 86 F C -0.620 175.009 175.800 -0.286 0.000 1.097 86 F CA -1.293 56.469 58.000 -0.397 0.000 0.952 86 F CB 1.780 40.419 39.000 -0.601 0.000 1.307 86 F HN 0.634 nan 8.300 nan 0.000 0.450 87 G N 0.192 108.796 108.800 -0.327 0.000 2.692 87 G HA2 0.601 4.561 3.960 -0.001 0.000 0.291 87 G HA3 0.601 4.561 3.960 -0.001 0.000 0.291 87 G C -1.702 173.040 174.900 -0.264 0.000 1.423 87 G CA -0.632 44.243 45.100 -0.375 0.000 0.843 87 G HN 1.015 nan 8.290 nan 0.000 0.486 88 T N -2.122 112.311 114.554 -0.202 0.000 2.888 88 T HA 0.884 5.233 4.350 -0.001 0.000 0.284 88 T C 0.137 174.752 174.700 -0.141 0.000 1.017 88 T CA -0.313 61.716 62.100 -0.118 0.000 1.022 88 T CB 2.152 71.002 68.868 -0.030 0.000 1.013 88 T HN 1.874 nan 8.240 nan 0.000 0.465 89 G N 0.527 109.325 108.800 -0.003 0.000 2.616 89 G HA2 0.437 4.396 3.960 -0.001 0.000 0.294 89 G HA3 0.437 4.396 3.960 -0.001 0.000 0.294 89 G C -2.051 173.076 174.900 0.379 0.000 1.489 89 G CA -0.845 44.319 45.100 0.108 0.000 0.836 89 G HN 0.768 nan 8.290 nan 0.000 0.527 90 D N 0.735 121.358 120.400 0.371 0.000 2.380 90 D HA 0.161 4.801 4.640 -0.001 0.000 0.230 90 D C 1.622 178.088 176.300 0.276 0.000 1.154 90 D CA -0.501 53.691 54.000 0.319 0.000 0.859 90 D CB 1.314 42.316 40.800 0.337 0.000 1.045 90 D HN 0.505 nan 8.370 nan 0.000 0.495 91 Q N 3.254 123.031 119.800 -0.039 0.000 2.436 91 Q HA -0.034 4.306 4.340 -0.001 0.000 0.209 91 Q C 1.021 176.961 176.000 -0.101 0.000 0.965 91 Q CA 0.780 56.316 55.803 -0.444 0.000 0.910 91 Q CB 0.233 28.407 28.738 -0.941 0.000 0.980 91 Q HN 0.551 nan 8.270 nan 0.000 0.491 92 I N 0.569 121.132 120.570 -0.012 0.000 2.729 92 I HA 0.058 4.227 4.170 -0.001 0.000 0.256 92 I C 2.269 178.377 176.117 -0.014 0.000 1.115 92 I CA 0.769 62.067 61.300 -0.003 0.000 1.446 92 I CB -0.216 37.780 38.000 -0.006 0.000 1.176 92 I HN 0.313 nan 8.210 nan 0.000 0.446 93 G N -0.010 108.772 108.800 -0.031 0.000 2.484 93 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.218 93 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.218 93 G C 0.516 175.183 174.900 -0.390 0.000 1.130 93 G CA 0.478 45.458 45.100 -0.200 0.000 0.784 93 G HN 0.361 nan 8.290 nan 0.000 0.543 94 Y N 0.015 120.364 120.300 0.082 0.000 2.617 94 Y HA 0.543 5.093 4.550 -0.001 0.000 0.328 94 Y C 1.735 177.729 175.900 0.156 0.000 0.946 94 Y CA -0.676 57.495 58.100 0.118 0.000 1.241 94 Y CB 0.464 39.014 38.460 0.150 0.000 1.226 94 Y HN 0.138 nan 8.280 nan 0.000 0.582 95 A N -0.325 122.605 122.820 0.184 0.000 1.940 95 A HA -0.193 4.127 4.320 -0.001 0.000 0.219 95 A C 1.672 179.412 177.584 0.260 0.000 1.176 95 A CA 2.280 54.431 52.037 0.191 0.000 0.631 95 A CB -0.133 18.924 19.000 0.095 0.000 0.814 95 A HN 0.402 nan 8.150 nan 0.000 0.446 96 D N -1.077 119.449 120.400 0.209 0.000 2.348 96 D HA 0.038 4.678 4.640 -0.001 0.000 0.211 96 D C 0.091 176.518 176.300 0.212 0.000 0.998 96 D CA 0.634 54.747 54.000 0.188 0.000 0.873 96 D CB -0.132 40.739 40.800 0.119 0.000 0.925 96 D HN 0.587 nan 8.370 nan 0.000 0.524 97 N N -0.396 118.457 118.700 0.254 0.000 2.466 97 N HA 0.076 4.815 4.740 -0.001 0.000 0.272 97 N C -0.700 174.922 175.510 0.188 0.000 1.455 97 N CA -0.388 52.776 53.050 0.191 0.000 0.875 97 N CB 0.552 39.136 38.487 0.163 0.000 1.372 97 N HN -0.100 nan 8.380 nan 0.000 0.492 98 F N 2.770 122.766 119.950 0.077 0.000 2.533 98 F HA 0.060 4.587 4.527 -0.001 0.000 0.378 98 F C 0.720 176.418 175.800 -0.171 0.000 1.070 98 F CA 0.286 58.263 58.000 -0.040 0.000 1.172 98 F CB 0.258 39.222 39.000 -0.061 0.000 1.085 98 F HN 0.196 nan 8.300 nan 0.000 0.552 99 Q N 3.107 122.495 119.800 -0.686 0.000 2.494 99 Q HA -0.294 4.045 4.340 -0.001 0.000 0.272 99 Q C 0.889 176.654 176.000 -0.392 0.000 1.145 99 Q CA 1.160 56.543 55.803 -0.700 0.000 0.943 99 Q CB -1.912 26.204 28.738 -1.037 0.000 1.338 99 Q HN 0.768 nan 8.270 nan 0.000 0.492 100 D N -0.088 120.158 120.400 -0.258 0.000 2.149 100 D HA -0.090 4.550 4.640 -0.001 0.000 0.198 100 D C 1.747 177.907 176.300 -0.234 0.000 0.990 100 D CA 1.675 55.566 54.000 -0.183 0.000 0.839 100 D CB -0.015 40.713 40.800 -0.119 0.000 0.948 100 D HN 0.538 nan 8.370 nan 0.000 0.460 101 A N 0.932 123.585 122.820 -0.280 0.000 1.877 101 A HA -0.150 4.170 4.320 -0.001 0.000 0.216 101 A C 2.310 179.679 177.584 -0.358 0.000 1.186 101 A CA 1.587 53.438 52.037 -0.310 0.000 0.620 101 A CB -0.893 17.920 19.000 -0.312 0.000 0.822 101 A HN 0.448 nan 8.150 nan 0.000 0.443 102 I N -2.597 117.750 120.570 -0.372 0.000 2.676 102 I HA 0.048 4.218 4.170 -0.001 0.000 0.259 102 I C 2.078 177.946 176.117 -0.414 0.000 1.194 102 I CA 1.251 62.324 61.300 -0.378 0.000 1.473 102 I CB -0.794 37.014 38.000 -0.321 0.000 1.096 102 I HN 0.145 nan 8.210 nan 0.000 0.443 103 G N 2.081 110.690 108.800 -0.319 0.000 2.408 103 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.217 103 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.217 103 G C 1.667 176.424 174.900 -0.239 0.000 1.150 103 G CA 0.882 45.827 45.100 -0.258 0.000 0.776 103 G HN 0.458 nan 8.290 nan 0.000 0.542 104 I N -0.044 120.388 120.570 -0.229 0.000 2.286 104 I HA -0.056 4.114 4.170 -0.001 0.000 0.245 104 I C 2.502 178.538 176.117 -0.134 0.000 1.104 104 I CA 0.171 61.362 61.300 -0.181 0.000 1.397 104 I CB -0.132 37.722 38.000 -0.244 0.000 1.072 104 I HN 0.052 nan 8.210 nan 0.000 0.417 105 L N 0.631 121.719 121.223 -0.225 0.000 2.012 105 L HA -0.239 4.101 4.340 -0.001 0.000 0.210 105 L C 2.582 179.327 176.870 -0.208 0.000 1.073 105 L CA 1.827 56.560 54.840 -0.179 0.000 0.748 105 L CB -1.327 40.531 42.059 -0.336 0.000 0.891 105 L HN 0.304 nan 8.230 nan 0.000 0.431 106 E N -0.133 119.773 120.200 -0.490 0.000 2.077 106 E HA -0.271 4.079 4.350 -0.001 0.000 0.193 106 E C 2.073 178.511 176.600 -0.270 0.000 0.989 106 E CA 1.364 57.385 56.400 -0.632 0.000 0.800 106 E CB 0.093 29.183 29.700 -1.017 0.000 0.746 106 E HN 0.587 nan 8.360 nan 0.000 0.452 107 E N 0.271 120.353 120.200 -0.195 0.000 2.085 107 E HA -0.250 4.100 4.350 -0.001 0.000 0.194 107 E C 2.058 178.621 176.600 -0.062 0.000 0.994 107 E CA 1.645 57.988 56.400 -0.095 0.000 0.801 107 E CB -0.001 29.663 29.700 -0.060 0.000 0.743 107 E HN -0.064 nan 8.360 nan 0.000 0.453 108 K N 0.830 121.202 120.400 -0.047 0.000 2.031 108 K HA -0.059 4.260 4.320 -0.001 0.000 0.205 108 K C 1.916 178.434 176.600 -0.137 0.000 1.049 108 K CA 1.358 57.607 56.287 -0.065 0.000 0.939 108 K CB -0.397 32.071 32.500 -0.053 0.000 0.717 108 K HN 0.196 nan 8.250 nan 0.000 0.438 109 I N 0.374 120.817 120.570 -0.212 0.000 2.315 109 I HA -0.221 3.948 4.170 -0.001 0.000 0.248 109 I C 2.053 178.032 176.117 -0.231 0.000 1.117 109 I CA 1.017 62.064 61.300 -0.422 0.000 1.404 109 I CB -0.209 37.480 38.000 -0.517 0.000 1.071 109 I HN 0.114 nan 8.210 nan 0.000 0.419 110 S N -0.044 115.594 115.700 -0.103 0.000 2.382 110 S HA -0.269 4.201 4.470 -0.001 0.000 0.228 110 S C 1.972 176.568 174.600 -0.006 0.000 1.027 110 S CA 1.327 59.513 58.200 -0.023 0.000 0.991 110 S CB -0.243 62.951 63.200 -0.011 0.000 0.823 110 S HN 0.453 nan 8.310 nan 0.000 0.469 111 Q N 0.495 120.280 119.800 -0.024 0.000 2.170 111 Q HA -0.032 4.308 4.340 -0.001 0.000 0.203 111 Q C 1.460 177.471 176.000 0.018 0.000 0.976 111 Q CA 0.942 56.743 55.803 -0.004 0.000 0.858 111 Q CB 0.083 28.812 28.738 -0.016 0.000 0.907 111 Q HN 0.288 nan 8.270 nan 0.000 0.433 112 R N -1.275 119.238 120.500 0.021 0.000 2.320 112 R HA 0.106 4.446 4.340 -0.001 0.000 0.211 112 R C 0.807 177.211 176.300 0.174 0.000 0.931 112 R CA 0.762 56.930 56.100 0.113 0.000 1.071 112 R CB 0.833 31.260 30.300 0.212 0.000 1.025 112 R HN 0.457 nan 8.270 nan 0.000 0.495 113 G N -0.039 108.828 108.800 0.112 0.000 2.201 113 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.212 113 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.212 113 G C 0.456 175.442 174.900 0.144 0.000 0.994 113 G CA -0.339 44.834 45.100 0.123 0.000 0.644 113 G HN 0.513 nan 8.290 nan 0.000 0.508 114 G N 0.260 109.146 108.800 0.143 0.000 2.442 114 G HA2 0.469 4.429 3.960 -0.001 0.000 0.249 114 G HA3 0.469 4.429 3.960 -0.001 0.000 0.249 114 G C -0.038 174.934 174.900 0.120 0.000 1.263 114 G CA 0.352 45.538 45.100 0.144 0.000 0.846 114 G HN 0.497 nan 8.290 nan 0.000 0.555 115 K N 1.483 121.971 120.400 0.146 0.000 2.211 115 K HA 0.318 4.637 4.320 -0.001 0.000 0.275 115 K C -0.131 176.580 176.600 0.185 0.000 1.024 115 K CA -0.432 55.949 56.287 0.156 0.000 0.887 115 K CB 0.666 33.259 32.500 0.155 0.000 1.084 115 K HN 0.374 nan 8.250 nan 0.000 0.463 116 T N 3.564 118.230 114.554 0.186 0.000 2.794 116 T HA 0.238 4.588 4.350 -0.001 0.000 0.296 116 T C -0.283 174.501 174.700 0.140 0.000 0.949 116 T CA -0.603 61.592 62.100 0.158 0.000 1.101 116 T CB 0.694 69.580 68.868 0.030 0.000 0.905 116 T HN 0.480 nan 8.240 nan 0.000 0.516 117 V N 0.084 120.051 119.914 0.089 0.000 3.001 117 V HA 0.985 5.105 4.120 -0.001 0.000 0.314 117 V C 0.600 176.689 176.094 -0.008 0.000 1.099 117 V CA -0.369 61.968 62.300 0.061 0.000 0.989 117 V CB 1.232 33.052 31.823 -0.005 0.000 1.040 117 V HN 1.110 nan 8.190 nan 0.000 0.434 118 G N 0.605 109.448 108.800 0.072 0.000 2.165 118 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.226 118 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.226 118 G C -0.369 174.835 174.900 0.506 0.000 1.035 118 G CA 0.144 45.371 45.100 0.213 0.000 0.744 118 G HN 1.184 nan 8.290 nan 0.000 0.501 119 Y N -0.985 119.544 120.300 0.381 0.000 2.607 119 Y HA 0.414 4.964 4.550 -0.001 0.000 0.348 119 Y C 1.033 177.251 175.900 0.531 0.000 1.261 119 Y CA 0.366 58.693 58.100 0.379 0.000 1.480 119 Y CB 0.554 39.150 38.460 0.227 0.000 1.358 119 Y HN 0.342 nan 8.280 nan 0.000 0.630 120 W N 2.385 123.922 121.300 0.394 0.000 2.957 120 W HA 0.334 4.994 4.660 -0.000 0.000 0.336 120 W C -0.680 176.029 176.519 0.316 0.000 1.087 120 W CA -1.041 56.504 57.345 0.333 0.000 1.235 120 W CB 2.077 31.683 29.460 0.242 0.000 1.399 120 W HN 0.489 nan 8.180 nan 0.000 0.480 121 S N 1.559 117.083 115.700 -0.293 0.000 2.568 121 S HA -0.002 4.468 4.470 -0.001 0.000 0.282 121 S C 1.352 175.954 174.600 0.003 0.000 1.338 121 S CA 0.914 59.001 58.200 -0.188 0.000 1.045 121 S CB 1.098 64.130 63.200 -0.279 0.000 0.873 121 S HN 0.517 nan 8.310 nan 0.000 0.516 122 T N 0.888 115.447 114.554 0.010 0.000 3.129 122 T HA 0.151 4.501 4.350 -0.001 0.000 0.251 122 T C 0.188 175.124 174.700 0.394 0.000 1.117 122 T CA -0.123 62.054 62.100 0.128 0.000 1.034 122 T CB -0.517 68.282 68.868 -0.116 0.000 0.968 122 T HN 0.633 nan 8.240 nan 0.000 0.526 123 D N 1.256 121.786 120.400 0.217 0.000 2.450 123 D HA 0.414 5.053 4.640 -0.001 0.000 0.247 123 D C 1.343 177.752 176.300 0.182 0.000 1.162 123 D CA 1.720 55.808 54.000 0.148 0.000 0.879 123 D CB -0.134 40.681 40.800 0.025 0.000 1.163 123 D HN 0.390 nan 8.370 nan 0.000 0.472 124 G N 2.167 111.037 108.800 0.117 0.000 2.141 124 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.242 124 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.242 124 G C -0.397 174.431 174.900 -0.119 0.000 0.982 124 G CA -0.181 44.906 45.100 -0.022 0.000 0.662 124 G HN 0.474 nan 8.290 nan 0.000 0.527 125 Y N -0.183 120.256 120.300 0.232 0.000 2.487 125 Y HA 0.634 5.184 4.550 0.000 0.000 0.337 125 Y C -0.072 175.968 175.900 0.234 0.000 1.076 125 Y CA -1.091 57.185 58.100 0.295 0.000 1.115 125 Y CB 2.035 40.830 38.460 0.558 0.000 1.235 125 Y HN 0.041 nan 8.280 nan 0.000 0.468 126 D N 2.727 123.320 120.400 0.321 0.000 2.408 126 D HA 0.306 4.946 4.640 -0.001 0.000 0.261 126 D C -1.519 174.874 176.300 0.154 0.000 1.190 126 D CA -0.265 53.823 54.000 0.148 0.000 0.910 126 D CB -0.020 40.811 40.800 0.053 0.000 1.097 126 D HN 0.286 nan 8.370 nan 0.000 0.522 127 F N 1.445 121.402 119.950 0.012 0.000 2.675 127 F HA 0.566 5.092 4.527 -0.001 0.000 0.324 127 F C 0.537 176.364 175.800 0.044 0.000 1.106 127 F CA -1.132 56.862 58.000 -0.008 0.000 0.970 127 F CB 0.809 39.802 39.000 -0.011 0.000 1.385 127 F HN -0.016 nan 8.300 nan 0.000 0.489 128 N N -0.532 118.172 118.700 0.007 0.000 2.428 128 N HA 0.127 4.867 4.740 -0.001 0.000 0.181 128 N C -1.087 174.431 175.510 0.012 0.000 1.028 128 N CA 0.948 53.954 53.050 -0.073 0.000 0.877 128 N CB 0.312 38.813 38.487 0.023 0.000 1.064 128 N HN 0.739 nan 8.380 nan 0.000 0.434 129 D N -1.509 119.086 120.400 0.325 0.000 2.609 129 D HA 0.468 5.107 4.640 -0.001 0.000 0.239 129 D C -1.869 174.717 176.300 0.478 0.000 1.229 129 D CA -0.326 53.881 54.000 0.344 0.000 0.808 129 D CB 1.890 42.796 40.800 0.176 0.000 1.448 129 D HN 0.005 nan 8.370 nan 0.000 0.433 130 S N 0.840 116.751 115.700 0.351 0.000 2.535 130 S HA 0.311 4.781 4.470 -0.001 0.000 0.272 130 S C -0.303 174.365 174.600 0.114 0.000 1.149 130 S CA -0.604 57.725 58.200 0.216 0.000 0.888 130 S CB 1.213 64.531 63.200 0.197 0.000 1.110 130 S HN 0.377 nan 8.310 nan 0.000 0.463 131 K N 2.055 122.476 120.400 0.035 0.000 2.487 131 K HA 0.214 4.534 4.320 -0.001 0.000 0.192 131 K C 1.245 177.826 176.600 -0.032 0.000 1.027 131 K CA 0.646 56.930 56.287 -0.005 0.000 1.054 131 K CB 0.094 32.569 32.500 -0.041 0.000 0.824 131 K HN 0.545 nan 8.250 nan 0.000 0.510 132 A N 0.616 123.425 122.820 -0.017 0.000 2.345 132 A HA 0.111 4.431 4.320 -0.001 0.000 0.225 132 A C 0.102 177.734 177.584 0.080 0.000 1.243 132 A CA -0.127 51.899 52.037 -0.019 0.000 0.875 132 A CB 0.152 19.109 19.000 -0.072 0.000 0.929 132 A HN 0.052 nan 8.150 nan 0.000 0.502 133 L N 1.615 122.878 121.223 0.067 0.000 2.313 133 L HA 0.327 4.666 4.340 -0.001 0.000 0.282 133 L C -0.065 176.833 176.870 0.046 0.000 1.092 133 L CA 0.376 55.239 54.840 0.039 0.000 0.831 133 L CB 0.377 42.462 42.059 0.043 0.000 1.159 133 L HN 0.182 nan 8.230 nan 0.000 0.442 134 R N 3.754 124.297 120.500 0.071 0.000 2.422 134 R HA 0.218 4.558 4.340 -0.001 0.000 0.307 134 R C -0.067 176.250 176.300 0.027 0.000 1.004 134 R CA -0.695 55.452 56.100 0.079 0.000 0.882 134 R CB 0.465 30.883 30.300 0.195 0.000 1.164 134 R HN 0.580 nan 8.270 nan 0.000 0.489 135 N N 1.558 120.258 118.700 -0.000 0.000 2.725 135 N HA -0.237 4.503 4.740 -0.001 0.000 0.251 135 N C 0.681 176.168 175.510 -0.038 0.000 1.031 135 N CA 1.620 54.655 53.050 -0.026 0.000 0.720 135 N CB -0.914 37.545 38.487 -0.046 0.000 0.930 135 N HN 1.051 nan 8.380 nan 0.000 0.543 136 G N -1.159 107.619 108.800 -0.036 0.000 2.176 136 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.253 136 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.253 136 G C -0.148 174.704 174.900 -0.081 0.000 0.979 136 G CA 0.823 45.891 45.100 -0.053 0.000 0.641 136 G HN 0.950 nan 8.290 nan 0.000 0.530 137 K N -0.663 119.697 120.400 -0.066 0.000 2.482 137 K HA 0.741 5.060 4.320 -0.001 0.000 0.257 137 K C -0.671 175.922 176.600 -0.011 0.000 0.969 137 K CA -1.284 54.965 56.287 -0.063 0.000 0.842 137 K CB 1.397 33.926 32.500 0.048 0.000 1.359 137 K HN -0.047 nan 8.250 nan 0.000 0.441 138 F N 0.793 120.822 119.950 0.133 0.000 2.506 138 F HA 0.020 4.546 4.527 -0.001 0.000 0.351 138 F C 1.720 177.619 175.800 0.166 0.000 1.136 138 F CA -0.371 57.675 58.000 0.076 0.000 1.298 138 F CB 0.956 39.966 39.000 0.016 0.000 1.145 138 F HN 0.381 nan 8.300 nan 0.000 0.593 139 V N 1.795 121.856 119.914 0.244 0.000 3.217 139 V HA 0.223 4.343 4.120 -0.001 0.000 0.264 139 V C 0.824 176.909 176.094 -0.015 0.000 1.135 139 V CA 1.607 63.921 62.300 0.024 0.000 1.142 139 V CB -0.644 31.090 31.823 -0.148 0.000 0.754 139 V HN 0.885 nan 8.190 nan 0.000 0.484 140 G N -1.186 107.679 108.800 0.107 0.000 2.548 140 G HA2 0.408 4.368 3.960 -0.001 0.000 0.301 140 G HA3 0.408 4.368 3.960 -0.001 0.000 0.301 140 G C -1.671 173.131 174.900 -0.164 0.000 1.349 140 G CA -0.607 44.562 45.100 0.114 0.000 0.792 140 G HN 0.047 nan 8.290 nan 0.000 0.481 141 L N 1.236 122.029 121.223 -0.717 0.000 2.462 141 L HA 0.602 4.941 4.340 -0.001 0.000 0.272 141 L C 0.698 177.064 176.870 -0.841 0.000 1.166 141 L CA 0.065 54.154 54.840 -1.253 0.000 0.880 141 L CB 0.339 41.108 42.059 -2.151 0.000 1.142 141 L HN 0.929 nan 8.230 nan 0.000 0.473 142 A N 7.244 129.596 122.820 -0.780 0.000 2.258 142 A HA 0.658 4.977 4.320 -0.001 0.000 0.316 142 A C -0.766 176.673 177.584 -0.241 0.000 1.279 142 A CA -0.582 51.043 52.037 -0.686 0.000 0.876 142 A CB 0.170 18.402 19.000 -1.279 0.000 1.170 142 A HN 0.735 nan 8.150 nan 0.000 0.520 143 L N 1.888 122.996 121.223 -0.192 0.000 2.334 143 L HA 0.542 4.882 4.340 -0.001 0.000 0.273 143 L C -0.678 176.250 176.870 0.097 0.000 1.013 143 L CA -0.750 54.074 54.840 -0.026 0.000 0.816 143 L CB 2.054 44.062 42.059 -0.084 0.000 1.278 143 L HN 0.642 nan 8.230 nan 0.000 0.431 144 D N 1.406 121.896 120.400 0.150 0.000 2.358 144 D HA 0.133 4.773 4.640 -0.001 0.000 0.253 144 D C 0.357 176.713 176.300 0.093 0.000 1.288 144 D CA -0.253 53.850 54.000 0.171 0.000 0.950 144 D CB 1.347 42.284 40.800 0.229 0.000 1.197 144 D HN 0.414 nan 8.370 nan 0.000 0.550 145 E N 1.563 121.806 120.200 0.071 0.000 2.358 145 E HA -0.056 4.294 4.350 -0.001 0.000 0.195 145 E C 0.610 177.239 176.600 0.049 0.000 1.010 145 E CA 0.545 56.973 56.400 0.047 0.000 0.856 145 E CB 0.563 30.285 29.700 0.037 0.000 0.795 145 E HN 0.557 nan 8.360 nan 0.000 0.504 146 D N 0.461 120.901 120.400 0.066 0.000 2.162 146 D HA -0.017 4.623 4.640 -0.001 0.000 0.205 146 D C 1.293 177.621 176.300 0.046 0.000 0.964 146 D CA 0.675 54.711 54.000 0.060 0.000 0.847 146 D CB 0.161 41.009 40.800 0.081 0.000 0.988 146 D HN 0.149 nan 8.370 nan 0.000 0.480 147 N N 0.006 118.736 118.700 0.049 0.000 2.332 147 N HA 0.045 4.785 4.740 -0.001 0.000 0.190 147 N C 0.314 175.837 175.510 0.020 0.000 1.117 147 N CA 0.202 53.270 53.050 0.030 0.000 0.883 147 N CB 0.903 39.404 38.487 0.023 0.000 1.089 147 N HN 0.181 nan 8.380 nan 0.000 0.480 148 Q N 0.343 120.161 119.800 0.028 0.000 2.227 148 Q HA 0.178 4.518 4.340 -0.001 0.000 0.332 148 Q C 0.520 176.530 176.000 0.018 0.000 0.878 148 Q CA -0.144 55.667 55.803 0.014 0.000 1.120 148 Q CB 0.769 29.506 28.738 -0.001 0.000 1.315 148 Q HN 0.174 nan 8.270 nan 0.000 0.414 149 S N -0.075 115.636 115.700 0.019 0.000 2.474 149 S HA -0.154 4.315 4.470 -0.001 0.000 0.235 149 S C 1.354 175.958 174.600 0.007 0.000 0.997 149 S CA 1.364 59.573 58.200 0.014 0.000 0.949 149 S CB -0.046 63.163 63.200 0.015 0.000 0.766 149 S HN 0.521 nan 8.310 nan 0.000 0.517 150 D N 1.427 121.830 120.400 0.006 0.000 2.347 150 D HA -0.003 4.637 4.640 -0.001 0.000 0.213 150 D C 1.643 177.946 176.300 0.006 0.000 0.985 150 D CA 0.283 54.286 54.000 0.004 0.000 0.879 150 D CB -0.272 40.530 40.800 0.003 0.000 0.919 150 D HN 0.478 nan 8.370 nan 0.000 0.526 151 L N 0.168 121.395 121.223 0.007 0.000 2.554 151 L HA 0.073 4.413 4.340 -0.001 0.000 0.225 151 L C 2.164 179.044 176.870 0.018 0.000 1.104 151 L CA 0.228 55.078 54.840 0.016 0.000 0.866 151 L CB -0.076 41.990 42.059 0.011 0.000 1.047 151 L HN -0.072 nan 8.230 nan 0.000 0.468 152 T N -0.273 114.281 114.554 0.000 0.000 2.708 152 T HA -0.181 4.169 4.350 -0.001 0.000 0.266 152 T C 1.331 176.011 174.700 -0.034 0.000 1.037 152 T CA 1.751 63.836 62.100 -0.024 0.000 1.146 152 T CB -0.107 68.745 68.868 -0.028 0.000 0.865 152 T HN 0.262 nan 8.240 nan 0.000 0.435 153 D N 0.688 121.076 120.400 -0.020 0.000 2.092 153 D HA -0.097 4.543 4.640 -0.001 0.000 0.193 153 D C 1.950 178.246 176.300 -0.006 0.000 0.994 153 D CA 1.198 55.186 54.000 -0.021 0.000 0.828 153 D CB -0.443 40.350 40.800 -0.013 0.000 0.963 153 D HN 0.351 nan 8.370 nan 0.000 0.450 154 D N -0.592 119.819 120.400 0.018 0.000 2.144 154 D HA -0.082 4.558 4.640 -0.001 0.000 0.199 154 D C 2.032 178.383 176.300 0.085 0.000 0.984 154 D CA 0.855 54.884 54.000 0.049 0.000 0.834 154 D CB 0.209 41.045 40.800 0.060 0.000 0.955 154 D HN 0.013 nan 8.370 nan 0.000 0.465 155 R N -0.316 120.226 120.500 0.069 0.000 2.066 155 R HA -0.026 4.314 4.340 -0.001 0.000 0.232 155 R C 2.472 178.727 176.300 -0.075 0.000 1.131 155 R CA 1.082 57.216 56.100 0.057 0.000 0.955 155 R CB -0.264 30.015 30.300 -0.035 0.000 0.851 155 R HN 0.296 nan 8.270 nan 0.000 0.432 156 I N 0.959 121.472 120.570 -0.094 0.000 2.226 156 I HA -0.310 3.860 4.170 -0.001 0.000 0.245 156 I C 2.157 178.277 176.117 0.005 0.000 1.100 156 I CA 1.457 62.715 61.300 -0.070 0.000 1.374 156 I CB -0.194 37.745 38.000 -0.101 0.000 1.057 156 I HN 0.143 nan 8.210 nan 0.000 0.413 157 K N 0.326 120.727 120.400 0.001 0.000 2.057 157 K HA -0.109 4.211 4.320 -0.001 0.000 0.207 157 K C 2.308 178.926 176.600 0.031 0.000 1.049 157 K CA 1.678 57.959 56.287 -0.009 0.000 0.931 157 K CB -0.164 32.335 32.500 -0.002 0.000 0.714 157 K HN 0.205 nan 8.250 nan 0.000 0.440 158 S N 0.357 116.132 115.700 0.125 0.000 2.383 158 S HA -0.158 4.312 4.470 -0.001 0.000 0.227 158 S C 1.445 176.216 174.600 0.285 0.000 1.026 158 S CA 0.965 59.298 58.200 0.221 0.000 0.981 158 S CB -0.274 63.152 63.200 0.377 0.000 0.818 158 S HN 0.432 nan 8.310 nan 0.000 0.472 159 W N 2.344 123.659 121.300 0.024 0.000 2.381 159 W HA -0.059 4.600 4.660 -0.001 0.000 0.301 159 W C 1.985 178.447 176.519 -0.095 0.000 1.205 159 W CA 0.627 57.948 57.345 -0.040 0.000 1.285 159 W CB -0.647 28.608 29.460 -0.343 0.000 1.133 159 W HN 0.001 nan 8.180 nan 0.000 0.521 160 V N 1.179 121.010 119.914 -0.139 0.000 2.515 160 V HA -0.257 3.862 4.120 -0.001 0.000 0.250 160 V C 2.428 178.258 176.094 -0.441 0.000 1.058 160 V CA 1.923 63.937 62.300 -0.477 0.000 1.064 160 V CB -1.605 29.888 31.823 -0.550 0.000 0.675 160 V HN 0.278 nan 8.190 nan 0.000 0.461 161 A N -0.948 121.734 122.820 -0.229 0.000 1.930 161 A HA -0.279 4.040 4.320 -0.001 0.000 0.217 161 A C 2.240 179.746 177.584 -0.130 0.000 1.175 161 A CA 1.944 53.889 52.037 -0.153 0.000 0.627 161 A CB -0.465 18.499 19.000 -0.061 0.000 0.815 161 A HN 0.568 nan 8.150 nan 0.000 0.443 162 Q N -0.434 119.302 119.800 -0.107 0.000 2.050 162 Q HA -0.119 4.221 4.340 -0.001 0.000 0.202 162 Q C 2.051 177.913 176.000 -0.230 0.000 0.980 162 Q CA 1.452 57.200 55.803 -0.092 0.000 0.840 162 Q CB -0.219 28.533 28.738 0.024 0.000 0.898 162 Q HN 0.692 nan 8.270 nan 0.000 0.424 163 L N 0.365 121.324 121.223 -0.440 0.000 2.083 163 L HA -0.222 4.118 4.340 -0.001 0.000 0.209 163 L C 2.406 179.068 176.870 -0.347 0.000 1.083 163 L CA 1.325 55.797 54.840 -0.613 0.000 0.752 163 L CB -0.340 41.263 42.059 -0.761 0.000 0.899 163 L HN 0.188 nan 8.230 nan 0.000 0.433 164 K N -0.505 119.800 120.400 -0.158 0.000 2.147 164 K HA -0.117 4.203 4.320 -0.001 0.000 0.205 164 K C 2.252 178.857 176.600 0.007 0.000 1.049 164 K CA 1.465 57.758 56.287 0.011 0.000 0.936 164 K CB -0.043 32.430 32.500 -0.045 0.000 0.722 164 K HN 0.174 nan 8.250 nan 0.000 0.446 165 S N 0.941 116.616 115.700 -0.043 0.000 2.387 165 S HA -0.090 4.379 4.470 -0.001 0.000 0.226 165 S C 1.629 176.235 174.600 0.010 0.000 1.026 165 S CA 1.042 59.237 58.200 -0.009 0.000 0.972 165 S CB -0.023 63.168 63.200 -0.014 0.000 0.814 165 S HN 0.328 nan 8.310 nan 0.000 0.477 166 E N 0.028 120.200 120.200 -0.047 0.000 2.170 166 E HA 0.021 4.371 4.350 -0.001 0.000 0.191 166 E C 1.344 178.003 176.600 0.099 0.000 0.981 166 E CA 0.601 56.990 56.400 -0.019 0.000 0.830 166 E CB -0.093 29.541 29.700 -0.110 0.000 0.775 166 E HN 0.379 nan 8.360 nan 0.000 0.470 167 F N 0.229 120.193 119.950 0.023 0.000 2.259 167 F HA 0.090 4.617 4.527 -0.000 0.000 0.298 167 F C 1.874 177.692 175.800 0.030 0.000 1.088 167 F CA 1.237 59.248 58.000 0.019 0.000 1.358 167 F CB -0.352 38.533 39.000 -0.190 0.000 1.040 167 F HN 0.122 nan 8.300 nan 0.000 0.505 168 G N 0.124 109.039 108.800 0.191 0.000 2.132 168 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.228 168 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.228 168 G C 0.095 175.038 174.900 0.071 0.000 1.000 168 G CA -0.152 45.022 45.100 0.122 0.000 0.693 168 G HN 0.122 nan 8.290 nan 0.000 0.515 169 L N 0.000 121.253 121.223 0.050 0.000 2.949 169 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 169 L CA 0.000 54.851 54.840 0.018 0.000 0.813 169 L CB 0.000 42.075 42.059 0.026 0.000 0.961 169 L HN 0.000 nan 8.230 nan 0.000 0.502