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 3nby_1_C DATA FIRST_RESID 9 DATA SEQUENCE VQFKLVLVGD GGTGKTTFVK RHLTGEFEKK YVATLGVEVH PLVFHTNRGP DATA SEQUENCE IKFNVWDTAG LEKFGGLRDG YYIQAQCAII MFDVTSRVTY KNVPNWHRDL DATA SEQUENCE VRVCENIPIV LCGNKVDIKD RKVKAKSIVF HRKKNLQYYD ISAKSNYNFE DATA SEQUENCE KPFLWLARKL IGDPNLEFVA M 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 9 V HA 0.000 nan 4.120 nan 0.000 0.244 9 V C 0.000 175.869 176.094 -0.375 0.000 1.182 9 V CA 0.000 62.158 62.300 -0.236 0.000 1.235 9 V CB 0.000 31.765 31.823 -0.096 0.000 1.184 10 Q N 0.011 119.434 119.800 -0.629 0.000 2.495 10 Q HA 0.776 5.116 4.340 0.000 0.000 0.283 10 Q C -1.643 173.684 176.000 -1.120 0.000 1.097 10 Q CA -0.651 54.800 55.803 -0.588 0.000 0.836 10 Q CB 2.678 31.259 28.738 -0.260 0.000 1.426 10 Q HN 0.224 nan 8.270 nan 0.000 0.459 11 F N -0.787 119.080 119.950 -0.138 0.000 2.686 11 F HA 0.403 4.930 4.527 0.000 0.000 0.311 11 F C -0.799 175.031 175.800 0.049 0.000 1.128 11 F CA -1.005 56.949 58.000 -0.077 0.000 0.946 11 F CB 2.114 41.019 39.000 -0.159 0.000 1.336 11 F HN 0.546 nan 8.300 nan 0.000 0.457 12 K N 2.568 123.131 120.400 0.272 0.000 2.292 12 K HA 0.591 4.911 4.320 0.000 0.000 0.270 12 K C -1.581 175.179 176.600 0.267 0.000 1.062 12 K CA -0.621 55.805 56.287 0.233 0.000 0.916 12 K CB 0.850 33.392 32.500 0.070 0.000 1.166 12 K HN 0.612 nan 8.250 nan 0.000 0.458 13 L N 5.777 127.233 121.223 0.388 0.000 2.283 13 L HA 0.306 4.646 4.340 0.000 0.000 0.281 13 L C -0.786 176.278 176.870 0.324 0.000 1.033 13 L CA -0.518 54.544 54.840 0.369 0.000 0.848 13 L CB 1.181 43.536 42.059 0.492 0.000 1.226 13 L HN 0.410 nan 8.230 nan 0.000 0.429 14 V N 6.780 126.837 119.914 0.239 0.000 2.599 14 V HA 0.147 4.267 4.120 0.000 0.000 0.300 14 V C -0.073 176.175 176.094 0.257 0.000 1.034 14 V CA 0.011 62.489 62.300 0.297 0.000 1.115 14 V CB 0.940 32.945 31.823 0.302 0.000 0.934 14 V HN 0.835 nan 8.190 nan 0.000 0.485 15 L N 8.267 129.662 121.223 0.288 0.000 2.313 15 L HA 0.554 4.894 4.340 0.000 0.000 0.273 15 L C -0.406 176.548 176.870 0.140 0.000 1.028 15 L CA -0.563 54.394 54.840 0.196 0.000 0.871 15 L CB 1.274 43.467 42.059 0.223 0.000 1.242 15 L HN 0.730 nan 8.230 nan 0.000 0.434 16 V N 1.189 121.126 119.914 0.038 0.000 2.732 16 V HA 1.089 5.210 4.120 0.000 0.000 0.310 16 V C 0.213 176.028 176.094 -0.465 0.000 1.053 16 V CA -0.111 62.100 62.300 -0.147 0.000 0.957 16 V CB 1.330 33.148 31.823 -0.010 0.000 1.018 16 V HN 0.765 nan 8.190 nan 0.000 0.452 17 G N 1.715 109.896 108.800 -1.032 0.000 2.316 17 G HA2 0.403 4.363 3.960 0.000 0.000 0.296 17 G HA3 0.403 4.363 3.960 0.000 0.000 0.296 17 G C -1.495 172.757 174.900 -1.079 0.000 1.399 17 G CA -0.141 44.330 45.100 -1.048 0.000 0.833 17 G HN 1.006 nan 8.290 nan 0.000 0.565 18 D N -0.285 119.852 120.400 -0.438 0.000 2.469 18 D HA 0.517 5.157 4.640 0.000 0.000 0.278 18 D C 0.968 177.324 176.300 0.093 0.000 1.231 18 D CA 0.062 54.117 54.000 0.092 0.000 1.075 18 D CB 0.218 41.254 40.800 0.394 0.000 1.121 18 D HN 0.796 nan 8.370 nan 0.000 0.571 19 G N -2.709 106.201 108.800 0.183 0.000 2.406 19 G HA2 0.391 4.351 3.960 0.000 0.000 0.251 19 G HA3 0.391 4.351 3.960 0.000 0.000 0.251 19 G C 1.014 175.931 174.900 0.028 0.000 1.271 19 G CA 0.000 45.212 45.100 0.186 0.000 0.859 19 G HN 1.008 nan 8.290 nan 0.000 0.540 20 G N 1.549 110.309 108.800 -0.066 0.000 2.148 20 G HA2 -0.325 3.635 3.960 0.000 0.000 0.254 20 G HA3 -0.325 3.635 3.960 0.000 0.000 0.254 20 G C 1.292 176.098 174.900 -0.157 0.000 0.981 20 G CA 1.035 45.872 45.100 -0.439 0.000 0.670 20 G HN 0.910 nan 8.290 nan 0.000 0.528 21 T N -0.213 114.316 114.554 -0.042 0.000 2.788 21 T HA 0.269 4.619 4.350 0.000 0.000 0.268 21 T C 2.190 176.878 174.700 -0.020 0.000 1.044 21 T CA 2.556 64.638 62.100 -0.030 0.000 1.139 21 T CB -0.334 68.508 68.868 -0.043 0.000 0.867 21 T HN 2.129 nan 8.240 nan 0.000 0.454 22 G N 0.790 109.604 108.800 0.024 0.000 2.145 22 G HA2 -0.184 3.776 3.960 0.000 0.000 0.176 22 G HA3 -0.184 3.776 3.960 0.000 0.000 0.176 22 G C 0.686 175.667 174.900 0.134 0.000 1.013 22 G CA 0.357 45.501 45.100 0.073 0.000 0.689 22 G HN 0.427 nan 8.290 nan 0.000 0.506 23 K N -0.455 120.018 120.400 0.123 0.000 1.984 23 K HA -0.008 4.312 4.320 0.000 0.000 0.209 23 K C 2.647 179.381 176.600 0.223 0.000 1.046 23 K CA 1.814 58.207 56.287 0.177 0.000 0.934 23 K CB -0.318 32.252 32.500 0.116 0.000 0.717 23 K HN 0.255 nan 8.250 nan 0.000 0.438 24 T N 0.928 115.580 114.554 0.164 0.000 2.622 24 T HA -0.153 4.197 4.350 0.000 0.000 0.266 24 T C 1.913 176.673 174.700 0.100 0.000 1.047 24 T CA 2.092 64.269 62.100 0.128 0.000 1.159 24 T CB -0.498 68.433 68.868 0.105 0.000 0.863 24 T HN 0.319 nan 8.240 nan 0.000 0.422 25 T N 2.245 116.850 114.554 0.086 0.000 2.685 25 T HA -0.159 4.191 4.350 0.000 0.000 0.268 25 T C 1.546 176.359 174.700 0.190 0.000 1.034 25 T CA 1.445 63.572 62.100 0.045 0.000 1.149 25 T CB -0.633 68.213 68.868 -0.036 0.000 0.860 25 T HN 0.331 nan 8.240 nan 0.000 0.449 26 F N 2.727 122.747 119.950 0.118 0.000 2.046 26 F HA -0.167 4.360 4.527 0.000 0.000 0.297 26 F C 2.513 178.448 175.800 0.224 0.000 1.123 26 F CA 1.386 59.503 58.000 0.196 0.000 1.199 26 F CB -1.130 37.976 39.000 0.177 0.000 0.972 26 F HN 0.065 nan 8.300 nan 0.000 0.474 27 V N 0.316 120.213 119.914 -0.029 0.000 2.407 27 V HA -0.248 3.872 4.120 0.000 0.000 0.248 27 V C 2.418 178.427 176.094 -0.141 0.000 1.055 27 V CA 2.423 64.624 62.300 -0.165 0.000 1.049 27 V CB -1.039 30.780 31.823 -0.005 0.000 0.662 27 V HN 0.526 nan 8.190 nan 0.000 0.455 28 K N -0.347 119.991 120.400 -0.103 0.000 2.026 28 K HA -0.228 4.092 4.320 0.000 0.000 0.208 28 K C 2.541 179.115 176.600 -0.044 0.000 1.048 28 K CA 1.471 57.682 56.287 -0.127 0.000 0.929 28 K CB -0.386 32.046 32.500 -0.114 0.000 0.713 28 K HN 0.312 nan 8.250 nan 0.000 0.439 29 R N 0.697 121.223 120.500 0.044 0.000 2.159 29 R HA -0.207 4.133 4.340 0.000 0.000 0.252 29 R C 1.921 178.303 176.300 0.137 0.000 1.144 29 R CA 2.134 58.316 56.100 0.136 0.000 0.961 29 R CB -1.046 29.440 30.300 0.310 0.000 0.877 29 R HN 0.560 nan 8.270 nan 0.000 0.444 30 H N -1.289 117.787 119.070 0.009 0.000 2.546 30 H HA -0.040 4.516 4.556 0.000 0.000 0.277 30 H C 1.287 176.486 175.328 -0.215 0.000 1.004 30 H CA 0.829 56.774 56.048 -0.172 0.000 1.231 30 H CB 0.274 29.719 29.762 -0.528 0.000 1.382 30 H HN 0.046 nan 8.280 nan 0.000 0.580 31 L N -0.724 120.464 121.223 -0.059 0.000 3.016 31 L HA 0.181 4.521 4.340 0.000 0.000 0.267 31 L C 1.083 177.898 176.870 -0.093 0.000 1.182 31 L CA 0.656 55.416 54.840 -0.133 0.000 0.997 31 L CB 0.844 42.780 42.059 -0.205 0.000 1.354 31 L HN 0.163 nan 8.230 nan 0.000 0.569 32 T N -4.662 109.865 114.554 -0.045 0.000 3.345 32 T HA 0.160 4.510 4.350 0.000 0.000 0.273 32 T C 1.223 175.921 174.700 -0.004 0.000 0.853 32 T CA 0.703 62.783 62.100 -0.033 0.000 0.812 32 T CB -0.528 68.314 68.868 -0.044 0.000 1.246 32 T HN 0.645 nan 8.240 nan 0.000 0.737 33 G N 1.840 110.653 108.800 0.023 0.000 2.179 33 G HA2 -0.200 3.760 3.960 0.000 0.000 0.257 33 G HA3 -0.200 3.760 3.960 0.000 0.000 0.257 33 G C -0.236 174.678 174.900 0.022 0.000 1.010 33 G CA 0.549 45.664 45.100 0.024 0.000 0.736 33 G HN 0.699 nan 8.290 nan 0.000 0.513 34 E N -1.051 119.167 120.200 0.030 0.000 2.349 34 E HA 0.624 4.974 4.350 0.000 0.000 0.262 34 E C -0.438 176.233 176.600 0.118 0.000 1.088 34 E CA -0.751 55.677 56.400 0.047 0.000 0.899 34 E CB 1.122 30.826 29.700 0.006 0.000 1.044 34 E HN 0.273 nan 8.360 nan 0.000 0.420 35 F N 1.576 121.512 119.950 -0.023 0.000 2.499 35 F HA 0.205 4.732 4.527 0.000 0.000 0.333 35 F C -0.160 175.643 175.800 0.004 0.000 1.138 35 F CA -0.699 57.294 58.000 -0.011 0.000 0.945 35 F CB 1.211 40.196 39.000 -0.026 0.000 1.181 35 F HN 0.085 nan 8.300 nan 0.000 0.435 36 E N 5.994 125.815 120.200 -0.632 0.000 2.105 36 E HA 0.133 4.484 4.350 0.000 0.000 0.285 36 E C 0.342 176.530 176.600 -0.687 0.000 1.055 36 E CA 0.004 56.116 56.400 -0.480 0.000 0.843 36 E CB 1.340 30.876 29.700 -0.273 0.000 1.067 36 E HN 0.764 nan 8.360 nan 0.000 0.398 37 K N 2.040 122.260 120.400 -0.300 0.000 2.418 37 K HA 0.029 4.349 4.320 0.000 0.000 0.195 37 K C 0.134 176.720 176.600 -0.023 0.000 1.035 37 K CA 0.508 56.745 56.287 -0.083 0.000 1.003 37 K CB 0.338 32.912 32.500 0.124 0.000 0.793 37 K HN 0.160 nan 8.250 nan 0.000 0.494 38 K N 1.118 121.497 120.400 -0.034 0.000 2.205 38 K HA 0.053 4.373 4.320 0.000 0.000 0.279 38 K C -0.782 175.875 176.600 0.095 0.000 1.027 38 K CA -0.559 55.745 56.287 0.028 0.000 0.932 38 K CB 0.632 33.133 32.500 0.001 0.000 1.032 38 K HN -0.138 nan 8.250 nan 0.000 0.466 39 Y N 3.468 123.760 120.300 -0.015 0.000 2.504 39 Y HA 0.232 4.782 4.550 0.000 0.000 0.351 39 Y C -0.834 175.071 175.900 0.008 0.000 0.988 39 Y CA -0.951 57.150 58.100 0.001 0.000 1.239 39 Y CB 0.564 39.040 38.460 0.026 0.000 1.128 39 Y HN 0.256 nan 8.280 nan 0.000 0.525 40 V N 7.003 126.780 119.914 -0.230 0.000 2.376 40 V HA 0.774 4.894 4.120 0.000 0.000 0.287 40 V C -0.506 175.354 176.094 -0.390 0.000 1.015 40 V CA -0.611 61.476 62.300 -0.355 0.000 0.834 40 V CB 0.584 32.304 31.823 -0.173 0.000 1.001 40 V HN 0.978 nan 8.190 nan 0.000 0.428 41 A N 4.965 127.440 122.820 -0.575 0.000 2.454 41 A HA 0.520 4.840 4.320 0.000 0.000 0.260 41 A C 0.683 178.198 177.584 -0.114 0.000 1.106 41 A CA 0.172 52.044 52.037 -0.275 0.000 0.780 41 A CB -0.164 18.779 19.000 -0.095 0.000 1.044 41 A HN 0.944 nan 8.150 nan 0.000 0.498 42 T N 3.441 117.997 114.554 0.002 0.000 2.928 42 T HA 0.301 4.651 4.350 0.000 0.000 0.305 42 T C 0.162 174.861 174.700 -0.003 0.000 1.035 42 T CA 0.538 62.634 62.100 -0.007 0.000 1.145 42 T CB -0.201 68.696 68.868 0.047 0.000 0.963 42 T HN 0.406 nan 8.240 nan 0.000 0.545 43 L N 3.435 124.601 121.223 -0.094 0.000 2.272 43 L HA 0.575 4.915 4.340 0.000 0.000 0.289 43 L C 1.364 178.239 176.870 0.009 0.000 1.032 43 L CA -0.653 54.137 54.840 -0.084 0.000 0.810 43 L CB 0.392 42.304 42.059 -0.245 0.000 1.205 43 L HN 0.945 nan 8.230 nan 0.000 0.422 44 G N 2.268 111.144 108.800 0.127 0.000 2.582 44 G HA2 -0.251 3.709 3.960 0.000 0.000 0.288 44 G HA3 -0.251 3.709 3.960 0.000 0.000 0.288 44 G C -0.203 174.688 174.900 -0.014 0.000 1.247 44 G CA 0.152 45.334 45.100 0.136 0.000 0.972 44 G HN 0.661 nan 8.290 nan 0.000 0.557 45 V N 0.974 120.719 119.914 -0.281 0.000 3.345 45 V HA 0.882 5.002 4.120 0.000 0.000 0.308 45 V C -0.293 175.589 176.094 -0.353 0.000 1.168 45 V CA 0.618 62.672 62.300 -0.410 0.000 1.024 45 V CB 1.656 32.943 31.823 -0.893 0.000 1.211 45 V HN 1.651 nan 8.190 nan 0.000 0.461 46 E N 1.700 121.669 120.200 -0.385 0.000 2.656 46 E HA 0.232 4.582 4.350 0.000 0.000 0.395 46 E C -1.072 175.226 176.600 -0.503 0.000 1.028 46 E CA -0.582 55.567 56.400 -0.418 0.000 0.728 46 E CB 0.609 30.138 29.700 -0.284 0.000 1.577 46 E HN 0.940 nan 8.360 nan 0.000 0.384 47 V N 0.894 120.430 119.914 -0.631 0.000 2.450 47 V HA 0.301 4.421 4.120 0.000 0.000 0.281 47 V C -0.429 175.425 176.094 -0.400 0.000 1.019 47 V CA 0.287 62.269 62.300 -0.529 0.000 1.062 47 V CB 0.130 31.478 31.823 -0.792 0.000 0.979 47 V HN 0.618 nan 8.190 nan 0.000 0.477 48 H N 7.060 126.089 119.070 -0.068 0.000 2.511 48 H HA 0.508 5.064 4.556 0.000 0.000 0.328 48 H C -2.456 172.870 175.328 -0.005 0.000 1.044 48 H CA -1.729 54.293 56.048 -0.045 0.000 1.212 48 H CB 2.282 32.021 29.762 -0.038 0.000 1.428 48 H HN 0.606 nan 8.280 nan 0.000 0.483 49 P HA 0.231 nan 4.420 nan 0.000 0.274 49 P C -0.381 176.912 177.300 -0.013 0.000 1.231 49 P CA -0.269 62.863 63.100 0.054 0.000 0.790 49 P CB 1.710 33.415 31.700 0.010 0.000 0.951 50 L N 0.618 121.801 121.223 -0.066 0.000 2.465 50 L HA 0.588 4.928 4.340 0.000 0.000 0.257 50 L C -0.547 176.107 176.870 -0.360 0.000 0.988 50 L CA -1.203 53.464 54.840 -0.290 0.000 0.827 50 L CB 2.527 44.351 42.059 -0.392 0.000 1.397 50 L HN 0.195 nan 8.230 nan 0.000 0.410 51 V N -1.490 118.015 119.914 -0.682 0.000 2.888 51 V HA 0.672 4.792 4.120 0.000 0.000 0.309 51 V C -1.235 174.261 176.094 -0.997 0.000 1.114 51 V CA -0.753 61.186 62.300 -0.601 0.000 0.940 51 V CB 1.902 33.491 31.823 -0.389 0.000 1.021 51 V HN 0.510 nan 8.190 nan 0.000 0.426 52 F N 0.783 120.553 119.950 -0.300 0.000 2.603 52 F HA 0.798 5.325 4.527 0.000 0.000 0.317 52 F C -0.163 175.448 175.800 -0.315 0.000 1.066 52 F CA -0.672 57.115 58.000 -0.356 0.000 0.941 52 F CB 1.986 40.601 39.000 -0.641 0.000 1.291 52 F HN 0.607 nan 8.300 nan 0.000 0.472 53 H N -0.817 118.319 119.070 0.110 0.000 2.524 53 H HA 0.695 5.251 4.556 0.000 0.000 0.353 53 H C -0.160 175.305 175.328 0.229 0.000 1.136 53 H CA -0.732 55.400 56.048 0.140 0.000 1.193 53 H CB 1.907 31.709 29.762 0.066 0.000 1.558 53 H HN 0.716 nan 8.280 nan 0.000 0.515 54 T N -1.282 113.466 114.554 0.323 0.000 2.838 54 T HA 0.164 4.514 4.350 0.000 0.000 0.292 54 T C 1.191 176.002 174.700 0.185 0.000 1.113 54 T CA -0.965 61.315 62.100 0.301 0.000 1.008 54 T CB 1.588 70.626 68.868 0.283 0.000 1.259 54 T HN 0.503 nan 8.240 nan 0.000 0.520 55 N N 0.664 119.446 118.700 0.136 0.000 2.122 55 N HA -0.196 4.544 4.740 0.000 0.000 0.199 55 N C 0.510 176.067 175.510 0.079 0.000 1.007 55 N CA 1.567 54.668 53.050 0.085 0.000 0.892 55 N CB -0.349 38.168 38.487 0.050 0.000 1.050 55 N HN 0.589 nan 8.380 nan 0.000 0.468 56 R N 0.143 120.692 120.500 0.083 0.000 3.057 56 R HA 0.379 4.719 4.340 0.000 0.000 0.291 56 R C 0.535 176.883 176.300 0.081 0.000 1.394 56 R CA 0.228 56.370 56.100 0.069 0.000 1.630 56 R CB 0.433 30.764 30.300 0.051 0.000 1.268 56 R HN 0.358 nan 8.270 nan 0.000 0.621 57 G N 2.561 111.417 108.800 0.093 0.000 2.593 57 G HA2 -0.247 3.713 3.960 0.000 0.000 0.237 57 G HA3 -0.247 3.713 3.960 0.000 0.000 0.237 57 G C -2.782 172.183 174.900 0.108 0.000 1.312 57 G CA -0.891 44.265 45.100 0.094 0.000 0.896 57 G HN 0.336 nan 8.290 nan 0.000 0.574 58 P HA 0.744 nan 4.420 nan 0.000 0.285 58 P C -0.655 176.637 177.300 -0.015 0.000 1.280 58 P CA -0.692 62.373 63.100 -0.057 0.000 0.862 58 P CB 2.124 33.749 31.700 -0.125 0.000 1.153 59 I N -0.398 120.163 120.570 -0.014 0.000 2.802 59 I HA 0.485 4.655 4.170 0.000 0.000 0.298 59 I C -1.442 174.695 176.117 0.033 0.000 1.176 59 I CA -1.141 60.196 61.300 0.061 0.000 1.025 59 I CB 2.583 40.698 38.000 0.192 0.000 1.243 59 I HN 0.253 nan 8.210 nan 0.000 0.424 60 K N 6.506 126.894 120.400 -0.020 0.000 2.545 60 K HA 0.438 4.758 4.320 0.000 0.000 0.252 60 K C -2.021 174.587 176.600 0.012 0.000 0.948 60 K CA -0.483 55.797 56.287 -0.010 0.000 0.827 60 K CB 1.200 33.665 32.500 -0.059 0.000 1.128 60 K HN 0.454 nan 8.250 nan 0.000 0.429 61 F N 2.616 122.702 119.950 0.228 0.000 2.411 61 F HA 0.261 4.788 4.527 0.000 0.000 0.350 61 F C 0.774 176.710 175.800 0.227 0.000 1.114 61 F CA -0.615 57.572 58.000 0.312 0.000 1.135 61 F CB 0.948 40.225 39.000 0.462 0.000 1.120 61 F HN 0.402 nan 8.300 nan 0.000 0.495 62 N N 3.287 122.225 118.700 0.396 0.000 2.719 62 N HA 0.127 4.867 4.740 0.000 0.000 0.243 62 N C -0.789 174.999 175.510 0.464 0.000 1.104 62 N CA -0.078 53.181 53.050 0.349 0.000 0.981 62 N CB 0.969 39.644 38.487 0.313 0.000 1.290 62 N HN 0.234 nan 8.380 nan 0.000 0.513 63 V N 3.051 123.202 119.914 0.396 0.000 2.359 63 V HA -0.024 4.096 4.120 0.000 0.000 0.248 63 V C 0.223 176.535 176.094 0.365 0.000 1.091 63 V CA -0.547 61.993 62.300 0.400 0.000 1.103 63 V CB -0.730 31.294 31.823 0.334 0.000 1.176 63 V HN 0.511 nan 8.190 nan 0.000 0.488 64 W N 3.444 124.838 121.300 0.157 0.000 1.839 64 W HA 0.150 4.810 4.660 0.000 0.000 0.489 64 W C 0.896 177.468 176.519 0.089 0.000 0.789 64 W CA -0.762 56.637 57.345 0.089 0.000 1.900 64 W CB -0.398 29.128 29.460 0.109 0.000 1.773 64 W HN 0.552 nan 8.180 nan 0.000 0.251 65 D N 2.253 122.753 120.400 0.167 0.000 2.422 65 D HA -0.044 4.596 4.640 0.000 0.000 0.263 65 D C 0.382 176.753 176.300 0.118 0.000 1.334 65 D CA 0.462 54.559 54.000 0.162 0.000 1.105 65 D CB 0.274 41.175 40.800 0.168 0.000 1.107 65 D HN 0.022 nan 8.370 nan 0.000 0.522 66 T N 1.720 116.391 114.554 0.195 0.000 2.816 66 T HA 0.555 4.905 4.350 0.000 0.000 0.282 66 T C 0.474 175.297 174.700 0.204 0.000 0.993 66 T CA -0.530 61.701 62.100 0.219 0.000 0.994 66 T CB 1.281 70.394 68.868 0.408 0.000 1.025 66 T HN 0.447 nan 8.240 nan 0.000 0.529 67 A N 0.324 123.299 122.820 0.258 0.000 2.272 67 A HA 0.654 4.974 4.320 0.000 0.000 0.275 67 A C 1.422 179.192 177.584 0.310 0.000 1.096 67 A CA -0.066 52.133 52.037 0.269 0.000 0.822 67 A CB -0.081 19.101 19.000 0.304 0.000 1.088 67 A HN 0.943 nan 8.150 nan 0.000 0.495 68 G N -0.766 108.216 108.800 0.303 0.000 2.727 68 G HA2 0.315 4.275 3.960 0.000 0.000 0.203 68 G HA3 0.315 4.275 3.960 0.000 0.000 0.203 68 G C 0.413 175.555 174.900 0.404 0.000 1.117 68 G CA -0.255 45.055 45.100 0.350 0.000 0.817 68 G HN 0.523 nan 8.290 nan 0.000 0.553 69 L N 1.458 122.869 121.223 0.314 0.000 2.416 69 L HA 0.176 4.516 4.340 0.000 0.000 0.272 69 L C 1.802 178.731 176.870 0.098 0.000 1.161 69 L CA -0.442 54.508 54.840 0.183 0.000 0.845 69 L CB 1.336 43.459 42.059 0.106 0.000 1.119 69 L HN 0.164 nan 8.230 nan 0.000 0.464 70 E N 3.078 123.295 120.200 0.027 0.000 2.110 70 E HA -0.200 4.150 4.350 0.000 0.000 0.193 70 E C 1.628 178.183 176.600 -0.075 0.000 0.988 70 E CA 1.495 57.893 56.400 -0.004 0.000 0.804 70 E CB 0.251 29.934 29.700 -0.028 0.000 0.745 70 E HN 0.567 nan 8.360 nan 0.000 0.458 71 K N -0.546 119.701 120.400 -0.255 0.000 2.074 71 K HA -0.164 4.156 4.320 0.000 0.000 0.209 71 K C 1.513 177.955 176.600 -0.263 0.000 1.048 71 K CA 1.457 57.480 56.287 -0.440 0.000 0.926 71 K CB -0.208 31.700 32.500 -0.987 0.000 0.713 71 K HN 0.153 nan 8.250 nan 0.000 0.444 72 F N -0.223 119.782 119.950 0.092 0.000 2.668 72 F HA 0.269 4.796 4.527 0.000 0.000 0.301 72 F C 1.826 177.703 175.800 0.128 0.000 1.106 72 F CA -0.685 57.371 58.000 0.092 0.000 1.289 72 F CB -0.564 38.484 39.000 0.080 0.000 1.006 72 F HN 0.003 nan 8.300 nan 0.000 0.535 73 G N 1.129 110.073 108.800 0.240 0.000 2.766 73 G HA2 0.033 3.993 3.960 0.000 0.000 0.222 73 G HA3 0.033 3.993 3.960 0.000 0.000 0.222 73 G C 1.415 176.478 174.900 0.273 0.000 1.225 73 G CA 1.474 46.714 45.100 0.233 0.000 0.784 73 G HN 0.810 nan 8.290 nan 0.000 0.631 74 G N -1.235 107.685 108.800 0.200 0.000 2.709 74 G HA2 0.001 3.961 3.960 0.000 0.000 0.228 74 G HA3 0.001 3.961 3.960 0.000 0.000 0.228 74 G C 0.155 175.057 174.900 0.003 0.000 1.215 74 G CA 0.117 45.348 45.100 0.218 0.000 1.003 74 G HN 0.937 nan 8.290 nan 0.000 0.584 75 L N 2.185 123.236 121.223 -0.286 0.000 2.872 75 L HA 0.440 4.780 4.340 0.000 0.000 0.245 75 L C 1.957 178.262 176.870 -0.942 0.000 1.211 75 L CA 0.492 54.987 54.840 -0.575 0.000 1.013 75 L CB -0.283 41.495 42.059 -0.468 0.000 1.326 75 L HN 0.621 nan 8.230 nan 0.000 0.525 76 R N 0.995 121.027 120.500 -0.779 0.000 2.442 76 R HA -0.344 3.996 4.340 0.000 0.000 0.192 76 R C 1.616 177.280 176.300 -1.060 0.000 0.989 76 R CA 2.618 58.341 56.100 -0.627 0.000 0.362 76 R CB -1.554 28.643 30.300 -0.172 0.000 0.682 76 R HN 0.518 nan 8.270 nan 0.000 0.252 77 D N -0.317 119.681 120.400 -0.670 0.000 2.220 77 D HA -0.200 4.440 4.640 0.000 0.000 0.198 77 D C 1.919 177.956 176.300 -0.439 0.000 1.001 77 D CA 1.713 55.429 54.000 -0.473 0.000 0.875 77 D CB -0.795 39.994 40.800 -0.019 0.000 0.921 77 D HN 0.643 nan 8.370 nan 0.000 0.454 78 G N 0.199 108.728 108.800 -0.451 0.000 2.450 78 G HA2 -0.274 3.686 3.960 0.000 0.000 0.220 78 G HA3 -0.274 3.686 3.960 0.000 0.000 0.220 78 G C 1.188 175.973 174.900 -0.191 0.000 1.130 78 G CA 0.687 45.608 45.100 -0.297 0.000 0.760 78 G HN 0.275 nan 8.290 nan 0.000 0.557 79 Y N -0.291 119.897 120.300 -0.186 0.000 2.337 79 Y HA 0.106 4.656 4.550 0.000 0.000 0.293 79 Y C 2.440 178.129 175.900 -0.353 0.000 1.123 79 Y CA -0.377 57.639 58.100 -0.139 0.000 1.201 79 Y CB -0.930 37.652 38.460 0.203 0.000 1.011 79 Y HN 0.253 nan 8.280 nan 0.000 0.545 80 Y N 0.201 120.524 120.300 0.039 0.000 2.483 80 Y HA -0.055 4.495 4.550 0.000 0.000 0.291 80 Y C 1.149 176.977 175.900 -0.120 0.000 1.143 80 Y CA -0.754 57.321 58.100 -0.042 0.000 1.289 80 Y CB -1.421 37.055 38.460 0.027 0.000 0.983 80 Y HN -0.028 nan 8.280 nan 0.000 0.556 81 I N 2.042 122.594 120.570 -0.029 0.000 2.845 81 I HA -0.230 3.940 4.170 0.000 0.000 0.296 81 I C 0.875 176.940 176.117 -0.087 0.000 1.216 81 I CA 0.727 62.004 61.300 -0.038 0.000 1.438 81 I CB 0.176 38.153 38.000 -0.038 0.000 1.342 81 I HN 0.381 nan 8.210 nan 0.000 0.577 82 Q N 2.019 121.796 119.800 -0.038 0.000 2.494 82 Q HA -0.211 4.129 4.340 0.000 0.000 0.272 82 Q C -0.053 175.917 176.000 -0.049 0.000 1.145 82 Q CA 0.545 56.326 55.803 -0.036 0.000 0.943 82 Q CB -1.300 27.415 28.738 -0.039 0.000 1.338 82 Q HN 0.811 nan 8.270 nan 0.000 0.492 83 A N 0.588 123.389 122.820 -0.031 0.000 2.409 83 A HA 0.247 4.567 4.320 0.000 0.000 0.262 83 A C 0.915 178.531 177.584 0.054 0.000 1.113 83 A CA 0.017 52.054 52.037 0.000 0.000 0.790 83 A CB 0.399 19.418 19.000 0.033 0.000 1.046 83 A HN 0.381 nan 8.150 nan 0.000 0.496 84 Q N 0.361 120.220 119.800 0.098 0.000 2.247 84 Q HA 0.296 4.636 4.340 0.000 0.000 0.211 84 Q C -0.088 175.987 176.000 0.126 0.000 0.861 84 Q CA 0.423 56.302 55.803 0.127 0.000 0.949 84 Q CB 0.335 29.198 28.738 0.209 0.000 1.115 84 Q HN 1.058 nan 8.270 nan 0.000 0.507 85 C N -3.640 115.747 119.300 0.144 0.000 2.873 85 C HA 0.832 5.292 4.460 0.000 0.000 0.316 85 C C -1.505 173.586 174.990 0.169 0.000 1.294 85 C CA -0.586 58.531 59.018 0.165 0.000 1.222 85 C CB 0.671 28.532 27.740 0.203 0.000 1.309 85 C HN 0.273 nan 8.230 nan 0.000 0.460 86 A N 0.416 123.326 122.820 0.150 0.000 2.493 86 A HA 0.946 5.266 4.320 0.000 0.000 0.300 86 A C -1.636 175.981 177.584 0.055 0.000 1.152 86 A CA -0.281 51.820 52.037 0.107 0.000 0.643 86 A CB 0.734 19.781 19.000 0.078 0.000 1.316 86 A HN 1.935 nan 8.150 nan 0.000 0.469 87 I N 1.592 122.179 120.570 0.028 0.000 2.594 87 I HA 0.177 4.347 4.170 0.000 0.000 0.272 87 I C -1.022 175.075 176.117 -0.034 0.000 1.225 87 I CA -0.386 60.896 61.300 -0.031 0.000 1.084 87 I CB 1.233 39.187 38.000 -0.077 0.000 1.324 87 I HN 0.461 nan 8.210 nan 0.000 0.481 88 I N 4.403 124.960 120.570 -0.023 0.000 2.588 88 I HA 0.317 4.487 4.170 0.000 0.000 0.283 88 I C 0.087 176.163 176.117 -0.070 0.000 1.119 88 I CA 0.372 61.634 61.300 -0.063 0.000 1.419 88 I CB 0.710 38.707 38.000 -0.006 0.000 1.394 88 I HN 0.664 nan 8.210 nan 0.000 0.562 89 M N 6.775 126.298 119.600 -0.128 0.000 2.619 89 M HA 0.669 5.149 4.480 0.000 0.000 0.297 89 M C -1.509 174.796 176.300 0.007 0.000 1.229 89 M CA -0.573 54.664 55.300 -0.105 0.000 0.860 89 M CB 2.874 35.375 32.600 -0.166 0.000 1.741 89 M HN 0.578 nan 8.290 nan 0.000 0.462 90 F N -0.202 119.688 119.950 -0.101 0.000 2.715 90 F HA 0.720 5.247 4.527 0.000 0.000 0.318 90 F C -1.631 174.164 175.800 -0.008 0.000 1.141 90 F CA -1.100 56.877 58.000 -0.039 0.000 0.950 90 F CB 0.970 39.991 39.000 0.035 0.000 1.374 90 F HN 0.456 nan 8.300 nan 0.000 0.477 91 D N 1.095 121.566 120.400 0.120 0.000 2.440 91 D HA 0.271 4.911 4.640 0.000 0.000 0.239 91 D C 0.635 177.005 176.300 0.116 0.000 1.084 91 D CA -0.626 53.385 54.000 0.018 0.000 0.843 91 D CB 1.883 42.699 40.800 0.027 0.000 1.097 91 D HN 0.782 nan 8.370 nan 0.000 0.531 92 V N 2.427 122.360 119.914 0.032 0.000 3.330 92 V HA -0.063 4.057 4.120 0.000 0.000 0.273 92 V C 1.254 177.392 176.094 0.073 0.000 1.179 92 V CA 2.112 64.476 62.300 0.107 0.000 1.174 92 V CB -1.372 30.477 31.823 0.043 0.000 0.794 92 V HN 0.699 nan 8.190 nan 0.000 0.527 93 T N -3.640 110.946 114.554 0.053 0.000 3.040 93 T HA 0.241 4.591 4.350 0.000 0.000 0.250 93 T C 0.864 175.591 174.700 0.045 0.000 1.058 93 T CA 0.632 62.752 62.100 0.034 0.000 0.988 93 T CB 0.086 68.962 68.868 0.014 0.000 0.993 93 T HN 0.535 nan 8.240 nan 0.000 0.519 94 S N 0.365 116.110 115.700 0.074 0.000 2.774 94 S HA 0.447 4.917 4.470 0.000 0.000 0.297 94 S C 0.894 175.557 174.600 0.104 0.000 1.143 94 S CA -0.858 57.385 58.200 0.073 0.000 1.090 94 S CB 1.032 64.270 63.200 0.063 0.000 1.019 94 S HN 0.345 nan 8.310 nan 0.000 0.482 95 R N 2.490 123.037 120.500 0.078 0.000 2.133 95 R HA -0.129 4.211 4.340 0.000 0.000 0.247 95 R C 1.793 178.158 176.300 0.108 0.000 1.151 95 R CA 2.257 58.404 56.100 0.078 0.000 0.971 95 R CB -0.611 29.713 30.300 0.040 0.000 0.866 95 R HN 0.673 nan 8.270 nan 0.000 0.447 96 V N -0.044 119.925 119.914 0.091 0.000 2.370 96 V HA -0.300 3.820 4.120 0.000 0.000 0.252 96 V C 2.415 178.576 176.094 0.112 0.000 1.068 96 V CA 2.352 64.705 62.300 0.089 0.000 1.061 96 V CB -1.147 30.721 31.823 0.075 0.000 0.656 96 V HN 0.567 nan 8.190 nan 0.000 0.455 97 T N -2.212 112.429 114.554 0.146 0.000 3.085 97 T HA -0.159 4.191 4.350 0.000 0.000 0.263 97 T C 1.646 176.434 174.700 0.146 0.000 1.127 97 T CA 1.058 63.264 62.100 0.176 0.000 1.103 97 T CB -0.396 68.595 68.868 0.205 0.000 0.921 97 T HN 0.615 nan 8.240 nan 0.000 0.510 98 Y N 1.145 121.398 120.300 -0.078 0.000 2.397 98 Y HA 0.310 4.860 4.550 0.000 0.000 0.292 98 Y C 2.069 177.830 175.900 -0.232 0.000 1.115 98 Y CA 0.497 58.365 58.100 -0.386 0.000 1.208 98 Y CB 0.115 38.269 38.460 -0.509 0.000 1.046 98 Y HN -0.027 nan 8.280 nan 0.000 0.552 99 K N 0.710 121.116 120.400 0.010 0.000 2.209 99 K HA -0.097 4.223 4.320 0.000 0.000 0.204 99 K C 1.115 177.663 176.600 -0.086 0.000 1.048 99 K CA 0.983 57.252 56.287 -0.030 0.000 0.940 99 K CB -0.385 32.141 32.500 0.044 0.000 0.729 99 K HN 0.497 nan 8.250 nan 0.000 0.451 100 N N 0.527 119.210 118.700 -0.028 0.000 2.422 100 N HA -0.045 4.696 4.740 0.000 0.000 0.181 100 N C 1.689 177.233 175.510 0.058 0.000 1.080 100 N CA 0.183 53.245 53.050 0.019 0.000 0.893 100 N CB 0.264 38.844 38.487 0.156 0.000 0.973 100 N HN -0.132 nan 8.380 nan 0.000 0.456 101 V N 2.688 122.543 119.914 -0.099 0.000 2.233 101 V HA -0.247 3.873 4.120 0.000 0.000 0.252 101 V C -0.562 175.349 176.094 -0.306 0.000 1.063 101 V CA 2.131 64.286 62.300 -0.243 0.000 1.032 101 V CB -1.729 29.590 31.823 -0.839 0.000 0.645 101 V HN 0.189 nan 8.190 nan 0.000 0.446 102 P HA -0.175 nan 4.420 nan 0.000 0.218 102 P C 1.362 178.682 177.300 0.032 0.000 1.152 102 P CA 1.814 64.824 63.100 -0.151 0.000 0.857 102 P CB -0.272 31.437 31.700 0.014 0.000 0.787 103 N N -1.823 116.832 118.700 -0.075 0.000 2.106 103 N HA -0.165 4.575 4.740 0.000 0.000 0.188 103 N C 1.789 177.203 175.510 -0.161 0.000 1.029 103 N CA 1.291 54.246 53.050 -0.158 0.000 0.848 103 N CB -0.673 37.617 38.487 -0.330 0.000 1.007 103 N HN 0.299 nan 8.380 nan 0.000 0.423 104 W N 1.186 122.470 121.300 -0.028 0.000 2.335 104 W HA -0.183 4.477 4.660 0.000 0.000 0.311 104 W C 2.612 179.108 176.519 -0.039 0.000 1.213 104 W CA 1.350 58.679 57.345 -0.027 0.000 1.274 104 W CB -0.942 28.497 29.460 -0.034 0.000 1.148 104 W HN 0.323 nan 8.180 nan 0.000 0.498 105 H N 0.553 119.705 119.070 0.138 0.000 2.289 105 H HA -0.212 4.344 4.556 0.000 0.000 0.296 105 H C 2.395 177.767 175.328 0.074 0.000 1.091 105 H CA 2.750 58.866 56.048 0.114 0.000 1.274 105 H CB -0.481 29.418 29.762 0.228 0.000 1.364 105 H HN -0.031 nan 8.280 nan 0.000 0.490 106 R N 0.235 120.752 120.500 0.029 0.000 2.223 106 R HA -0.242 4.098 4.340 0.000 0.000 0.229 106 R C 1.813 178.049 176.300 -0.107 0.000 1.105 106 R CA 2.584 58.653 56.100 -0.053 0.000 0.880 106 R CB -0.682 29.622 30.300 0.006 0.000 0.853 106 R HN 0.483 nan 8.270 nan 0.000 0.429 107 D N 0.574 120.939 120.400 -0.058 0.000 2.149 107 D HA -0.212 4.428 4.640 0.000 0.000 0.194 107 D C 1.908 178.167 176.300 -0.068 0.000 1.001 107 D CA 0.988 54.987 54.000 -0.003 0.000 0.849 107 D CB -0.357 40.500 40.800 0.096 0.000 0.939 107 D HN 0.191 nan 8.370 nan 0.000 0.449 108 L N 1.027 122.107 121.223 -0.238 0.000 1.955 108 L HA -0.147 4.193 4.340 0.000 0.000 0.213 108 L C 2.624 179.385 176.870 -0.182 0.000 1.072 108 L CA 1.651 56.288 54.840 -0.339 0.000 0.755 108 L CB -1.226 40.667 42.059 -0.277 0.000 0.888 108 L HN 0.098 nan 8.230 nan 0.000 0.432 109 V N -2.387 117.391 119.914 -0.226 0.000 3.305 109 V HA -0.092 4.028 4.120 0.000 0.000 0.269 109 V C 2.202 178.246 176.094 -0.083 0.000 1.157 109 V CA 0.780 62.986 62.300 -0.157 0.000 1.157 109 V CB -0.800 30.886 31.823 -0.229 0.000 0.772 109 V HN 0.401 nan 8.190 nan 0.000 0.498 110 R N -0.261 120.199 120.500 -0.067 0.000 2.313 110 R HA 0.222 4.562 4.340 0.000 0.000 0.199 110 R C 1.310 177.620 176.300 0.016 0.000 0.958 110 R CA 0.886 56.975 56.100 -0.018 0.000 1.047 110 R CB 0.357 30.651 30.300 -0.009 0.000 0.955 110 R HN 0.601 nan 8.270 nan 0.000 0.481 111 V N -1.329 118.599 119.914 0.024 0.000 3.350 111 V HA 0.032 4.152 4.120 0.000 0.000 0.246 111 V C 0.356 176.469 176.094 0.031 0.000 1.363 111 V CA 0.252 62.584 62.300 0.054 0.000 1.162 111 V CB 1.139 33.046 31.823 0.140 0.000 0.947 111 V HN 0.214 nan 8.190 nan 0.000 0.454 112 C N 0.960 120.266 119.300 0.010 0.000 2.521 112 C HA 0.542 5.002 4.460 0.000 0.000 0.291 112 C C 1.442 176.435 174.990 0.007 0.000 1.074 112 C CA -0.770 58.255 59.018 0.013 0.000 1.495 112 C CB 0.267 28.018 27.740 0.018 0.000 1.862 112 C HN 0.510 nan 8.230 nan 0.000 0.418 113 E N 2.207 122.413 120.200 0.011 0.000 2.033 113 E HA -0.204 4.146 4.350 0.000 0.000 0.199 113 E C 0.870 177.485 176.600 0.024 0.000 1.011 113 E CA 1.452 57.859 56.400 0.012 0.000 0.815 113 E CB 0.127 29.835 29.700 0.014 0.000 0.755 113 E HN 0.811 nan 8.360 nan 0.000 0.451 114 N N -0.084 118.634 118.700 0.031 0.000 2.573 114 N HA 0.234 4.975 4.740 0.000 0.000 0.262 114 N C -1.359 174.181 175.510 0.049 0.000 1.029 114 N CA -0.300 52.776 53.050 0.043 0.000 0.882 114 N CB 0.567 39.076 38.487 0.037 0.000 1.204 114 N HN 0.193 nan 8.380 nan 0.000 0.519 115 I N 0.304 120.913 120.570 0.065 0.000 2.534 115 I HA 0.571 4.741 4.170 0.000 0.000 0.288 115 I C -2.814 173.372 176.117 0.114 0.000 1.077 115 I CA -2.353 58.991 61.300 0.074 0.000 1.051 115 I CB 2.074 40.117 38.000 0.072 0.000 1.234 115 I HN 0.152 nan 8.210 nan 0.000 0.425 116 P HA 0.153 nan 4.420 nan 0.000 0.261 116 P C -0.675 176.810 177.300 0.308 0.000 1.173 116 P CA 0.431 63.653 63.100 0.204 0.000 0.760 116 P CB 0.486 32.207 31.700 0.035 0.000 0.783 117 I N 1.799 122.609 120.570 0.399 0.000 2.969 117 I HA 0.627 4.797 4.170 0.000 0.000 0.307 117 I C -1.621 174.557 176.117 0.102 0.000 1.149 117 I CA -1.168 60.280 61.300 0.247 0.000 1.008 117 I CB 2.425 40.532 38.000 0.178 0.000 1.232 117 I HN -0.049 nan 8.210 nan 0.000 0.435 118 V N 5.538 125.452 119.914 0.001 0.000 2.760 118 V HA 0.461 4.581 4.120 0.000 0.000 0.309 118 V C -0.905 175.124 176.094 -0.108 0.000 1.077 118 V CA -0.612 61.590 62.300 -0.165 0.000 0.910 118 V CB 1.985 33.704 31.823 -0.173 0.000 1.008 118 V HN 0.611 nan 8.190 nan 0.000 0.424 119 L N 4.811 125.959 121.223 -0.126 0.000 2.322 119 L HA 0.794 5.135 4.340 0.000 0.000 0.281 119 L C -0.834 175.900 176.870 -0.227 0.000 1.014 119 L CA 0.326 55.146 54.840 -0.033 0.000 0.815 119 L CB 1.367 43.524 42.059 0.164 0.000 1.247 119 L HN 0.766 nan 8.230 nan 0.000 0.421 120 C N 4.276 123.438 119.300 -0.230 0.000 2.383 120 C HA 0.691 5.151 4.460 0.000 0.000 0.330 120 C C 0.691 175.207 174.990 -0.790 0.000 1.168 120 C CA -0.984 57.718 59.018 -0.526 0.000 1.374 120 C CB 0.576 28.030 27.740 -0.476 0.000 2.014 120 C HN 1.034 nan 8.230 nan 0.000 0.439 121 G N 2.978 111.241 108.800 -0.894 0.000 2.361 121 G HA2 0.413 4.373 3.960 0.000 0.000 0.260 121 G HA3 0.413 4.373 3.960 0.000 0.000 0.260 121 G C -0.475 174.102 174.900 -0.539 0.000 1.261 121 G CA 0.237 44.735 45.100 -1.002 0.000 0.897 121 G HN 0.732 nan 8.290 nan 0.000 0.499 122 N N 0.436 118.850 118.700 -0.476 0.000 2.381 122 N HA 0.455 5.195 4.740 0.000 0.000 0.294 122 N C 0.251 175.676 175.510 -0.142 0.000 1.216 122 N CA -0.843 52.052 53.050 -0.257 0.000 0.803 122 N CB 1.318 39.660 38.487 -0.241 0.000 1.372 122 N HN 0.343 nan 8.380 nan 0.000 0.500 123 K N -0.472 119.889 120.400 -0.065 0.000 3.379 123 K HA -0.118 4.202 4.320 0.000 0.000 0.300 123 K C 0.513 177.083 176.600 -0.049 0.000 1.302 123 K CA 0.871 57.137 56.287 -0.034 0.000 0.877 123 K CB -2.261 30.223 32.500 -0.028 0.000 1.343 123 K HN 0.421 nan 8.250 nan 0.000 0.488 124 V N -1.080 118.799 119.914 -0.058 0.000 3.330 124 V HA -0.125 3.996 4.120 0.000 0.000 0.273 124 V C 1.507 177.524 176.094 -0.129 0.000 1.179 124 V CA 1.910 64.154 62.300 -0.092 0.000 1.174 124 V CB -0.410 31.341 31.823 -0.120 0.000 0.794 124 V HN 0.447 nan 8.190 nan 0.000 0.527 125 D N 0.029 120.373 120.400 -0.095 0.000 2.392 125 D HA 0.080 4.720 4.640 0.000 0.000 0.206 125 D C 0.778 177.029 176.300 -0.082 0.000 1.046 125 D CA -0.285 53.652 54.000 -0.105 0.000 0.865 125 D CB 0.163 40.903 40.800 -0.101 0.000 0.969 125 D HN 0.548 nan 8.370 nan 0.000 0.509 126 I N 1.859 122.393 120.570 -0.060 0.000 2.517 126 I HA 0.019 4.189 4.170 0.000 0.000 0.285 126 I C 0.855 176.944 176.117 -0.047 0.000 1.106 126 I CA -0.085 61.188 61.300 -0.044 0.000 1.402 126 I CB 0.924 38.908 38.000 -0.026 0.000 1.399 126 I HN -0.261 nan 8.210 nan 0.000 0.535 127 K N 4.234 124.607 120.400 -0.045 0.000 2.745 127 K HA 0.069 4.389 4.320 0.000 0.000 0.223 127 K C -0.272 176.308 176.600 -0.033 0.000 1.057 127 K CA 0.189 56.449 56.287 -0.045 0.000 1.217 127 K CB -0.145 32.328 32.500 -0.045 0.000 0.993 127 K HN 0.420 nan 8.250 nan 0.000 0.478 128 D N 1.280 121.663 120.400 -0.027 0.000 2.938 128 D HA 0.019 4.659 4.640 0.000 0.000 0.369 128 D C -0.779 175.511 176.300 -0.015 0.000 1.301 128 D CA -0.442 53.546 54.000 -0.019 0.000 0.805 128 D CB 0.280 41.072 40.800 -0.012 0.000 1.161 128 D HN 0.040 nan 8.370 nan 0.000 0.474 129 R N 1.173 121.660 120.500 -0.021 0.000 2.484 129 R HA 0.065 4.405 4.340 0.000 0.000 0.293 129 R C 0.351 176.646 176.300 -0.008 0.000 1.023 129 R CA 0.298 56.389 56.100 -0.014 0.000 1.037 129 R CB 0.463 30.748 30.300 -0.024 0.000 0.951 129 R HN -0.070 nan 8.270 nan 0.000 0.418 130 K N 3.685 124.087 120.400 0.004 0.000 2.414 130 K HA 0.145 4.465 4.320 0.000 0.000 0.204 130 K C -0.539 176.060 176.600 -0.001 0.000 1.026 130 K CA -0.030 56.258 56.287 0.002 0.000 1.108 130 K CB 1.156 33.663 32.500 0.010 0.000 0.855 130 K HN 0.305 nan 8.250 nan 0.000 0.517 131 V N 3.595 123.512 119.914 0.006 0.000 2.276 131 V HA 0.129 4.249 4.120 0.000 0.000 0.268 131 V C -0.305 175.764 176.094 -0.042 0.000 1.032 131 V CA -1.013 61.272 62.300 -0.024 0.000 0.810 131 V CB 0.887 32.752 31.823 0.071 0.000 1.060 131 V HN 0.050 nan 8.190 nan 0.000 0.446 132 K N 2.696 123.054 120.400 -0.071 0.000 2.451 132 K HA 0.284 4.604 4.320 0.000 0.000 0.280 132 K C 1.475 178.024 176.600 -0.086 0.000 1.020 132 K CA 0.323 56.571 56.287 -0.064 0.000 1.008 132 K CB 0.931 33.394 32.500 -0.061 0.000 0.917 132 K HN 0.590 nan 8.250 nan 0.000 0.478 133 A N 3.964 126.748 122.820 -0.061 0.000 2.032 133 A HA -0.260 4.060 4.320 0.000 0.000 0.221 133 A C 2.083 179.603 177.584 -0.107 0.000 1.165 133 A CA 1.997 53.984 52.037 -0.082 0.000 0.645 133 A CB -0.434 18.540 19.000 -0.043 0.000 0.807 133 A HN 0.866 nan 8.150 nan 0.000 0.453 134 K N 0.007 120.357 120.400 -0.083 0.000 2.107 134 K HA -0.216 4.104 4.320 0.000 0.000 0.211 134 K C 1.681 178.216 176.600 -0.108 0.000 1.049 134 K CA 2.112 58.352 56.287 -0.079 0.000 0.927 134 K CB -0.341 32.121 32.500 -0.063 0.000 0.714 134 K HN 0.401 nan 8.250 nan 0.000 0.452 135 S N 0.412 116.014 115.700 -0.163 0.000 2.496 135 S HA 0.144 4.614 4.470 0.000 0.000 0.224 135 S C 0.730 175.117 174.600 -0.355 0.000 0.996 135 S CA 0.091 58.148 58.200 -0.237 0.000 0.927 135 S CB -0.003 63.022 63.200 -0.291 0.000 0.774 135 S HN 0.254 nan 8.310 nan 0.000 0.524 136 I N 2.432 122.807 120.570 -0.326 0.000 2.322 136 I HA 0.170 4.340 4.170 0.000 0.000 0.292 136 I C 0.573 176.724 176.117 0.056 0.000 1.060 136 I CA -0.246 60.910 61.300 -0.240 0.000 1.309 136 I CB 1.026 38.836 38.000 -0.317 0.000 1.415 136 I HN -0.020 nan 8.210 nan 0.000 0.492 137 V N 1.988 122.071 119.914 0.281 0.000 3.443 137 V HA 0.042 4.162 4.120 0.000 0.000 0.277 137 V C 1.235 177.430 176.094 0.168 0.000 1.648 137 V CA -0.168 62.236 62.300 0.175 0.000 1.058 137 V CB -0.849 31.005 31.823 0.053 0.000 0.877 137 V HN 0.629 nan 8.190 nan 0.000 0.417 138 F N 4.023 124.120 119.950 0.245 0.000 2.026 138 F HA -0.219 4.308 4.527 0.000 0.000 0.296 138 F C 2.889 178.712 175.800 0.039 0.000 1.133 138 F CA 2.941 60.989 58.000 0.079 0.000 1.188 138 F CB -0.407 38.558 39.000 -0.059 0.000 0.968 138 F HN 0.474 nan 8.300 nan 0.000 0.476 139 H N 0.461 119.645 119.070 0.189 0.000 2.368 139 H HA -0.263 4.293 4.556 0.000 0.000 0.292 139 H C 2.148 177.384 175.328 -0.155 0.000 1.117 139 H CA 2.033 58.103 56.048 0.037 0.000 1.231 139 H CB -1.657 28.166 29.762 0.102 0.000 1.359 139 H HN 0.341 nan 8.280 nan 0.000 0.490 140 R N 1.086 121.184 120.500 -0.670 0.000 2.154 140 R HA -0.191 4.149 4.340 0.000 0.000 0.236 140 R C 2.428 178.540 176.300 -0.314 0.000 1.121 140 R CA 2.750 58.528 56.100 -0.536 0.000 0.915 140 R CB -0.143 29.868 30.300 -0.481 0.000 0.856 140 R HN 0.479 nan 8.270 nan 0.000 0.431 141 K N 0.430 120.634 120.400 -0.326 0.000 2.365 141 K HA 0.038 4.358 4.320 0.000 0.000 0.197 141 K C 1.280 177.722 176.600 -0.263 0.000 1.042 141 K CA 0.960 57.094 56.287 -0.254 0.000 0.987 141 K CB 0.255 32.611 32.500 -0.240 0.000 0.779 141 K HN 0.011 nan 8.250 nan 0.000 0.484 142 K N 1.027 121.195 120.400 -0.386 0.000 2.404 142 K HA 0.139 4.459 4.320 0.000 0.000 0.194 142 K C -0.356 176.165 176.600 -0.132 0.000 1.023 142 K CA 0.008 56.100 56.287 -0.325 0.000 1.094 142 K CB -0.054 32.020 32.500 -0.710 0.000 0.841 142 K HN 0.260 nan 8.250 nan 0.000 0.523 143 N N 1.261 119.889 118.700 -0.120 0.000 2.758 143 N HA -0.174 4.566 4.740 0.000 0.000 0.248 143 N C -0.867 174.672 175.510 0.047 0.000 1.076 143 N CA 0.561 53.593 53.050 -0.029 0.000 0.696 143 N CB -1.397 37.091 38.487 0.001 0.000 0.979 143 N HN 0.188 nan 8.380 nan 0.000 0.550 144 L N -0.031 121.224 121.223 0.053 0.000 2.334 144 L HA 0.457 4.797 4.340 0.000 0.000 0.272 144 L C 0.791 177.638 176.870 -0.039 0.000 1.020 144 L CA -0.926 53.945 54.840 0.051 0.000 0.812 144 L CB 1.181 43.310 42.059 0.116 0.000 1.264 144 L HN -0.016 nan 8.230 nan 0.000 0.439 145 Q N 1.137 120.695 119.800 -0.403 0.000 2.394 145 Q HA 0.196 4.536 4.340 0.000 0.000 0.248 145 Q C -1.583 174.170 176.000 -0.412 0.000 0.992 145 Q CA 0.349 55.764 55.803 -0.646 0.000 0.888 145 Q CB 0.778 28.512 28.738 -1.673 0.000 1.257 145 Q HN 0.459 nan 8.270 nan 0.000 0.462 146 Y N 2.704 122.653 120.300 -0.585 0.000 2.477 146 Y HA 0.568 5.118 4.550 0.000 0.000 0.347 146 Y C -1.972 173.542 175.900 -0.643 0.000 0.981 146 Y CA -0.857 56.914 58.100 -0.548 0.000 1.033 146 Y CB 1.258 39.250 38.460 -0.779 0.000 1.245 146 Y HN 0.692 nan 8.280 nan 0.000 0.455 147 Y N 2.960 122.465 120.300 -1.324 0.000 2.504 147 Y HA 0.277 4.827 4.550 0.000 0.000 0.344 147 Y C -1.038 174.314 175.900 -0.914 0.000 1.023 147 Y CA -1.388 56.208 58.100 -0.840 0.000 1.020 147 Y CB 1.802 39.961 38.460 -0.502 0.000 1.282 147 Y HN 0.581 nan 8.280 nan 0.000 0.454 148 D N 3.945 124.300 120.400 -0.074 0.000 2.347 148 D HA 0.430 5.070 4.640 0.000 0.000 0.235 148 D C -0.703 175.682 176.300 0.141 0.000 1.149 148 D CA 0.095 54.176 54.000 0.134 0.000 0.850 148 D CB 0.290 41.389 40.800 0.499 0.000 1.061 148 D HN 0.496 nan 8.370 nan 0.000 0.487 149 I N -0.561 120.009 120.570 0.001 0.000 2.828 149 I HA 0.684 4.854 4.170 0.000 0.000 0.302 149 I C -0.751 175.400 176.117 0.056 0.000 1.101 149 I CA -0.819 60.491 61.300 0.017 0.000 1.031 149 I CB 2.350 40.212 38.000 -0.230 0.000 1.231 149 I HN 0.121 nan 8.210 nan 0.000 0.427 150 S N 2.676 118.459 115.700 0.139 0.000 2.526 150 S HA 0.765 5.235 4.470 0.000 0.000 0.293 150 S C 0.334 175.007 174.600 0.122 0.000 1.092 150 S CA -0.073 58.173 58.200 0.078 0.000 0.980 150 S CB 1.930 65.151 63.200 0.035 0.000 1.048 150 S HN 0.914 nan 8.310 nan 0.000 0.483 151 A N 3.597 126.515 122.820 0.164 0.000 2.275 151 A HA 0.289 4.609 4.320 0.000 0.000 0.212 151 A C 1.577 179.225 177.584 0.106 0.000 1.201 151 A CA 0.200 52.411 52.037 0.290 0.000 0.843 151 A CB -0.155 19.134 19.000 0.482 0.000 0.873 151 A HN 0.748 nan 8.150 nan 0.000 0.492 152 K N -0.058 120.258 120.400 -0.140 0.000 2.361 152 K HA 0.044 4.364 4.320 0.000 0.000 0.194 152 K C 0.774 177.118 176.600 -0.428 0.000 1.032 152 K CA 1.120 57.031 56.287 -0.627 0.000 1.048 152 K CB 0.256 32.388 32.500 -0.613 0.000 0.842 152 K HN 0.488 nan 8.250 nan 0.000 0.526 153 S N -1.118 114.426 115.700 -0.259 0.000 2.800 153 S HA 0.118 4.588 4.470 0.000 0.000 0.266 153 S C -0.182 174.308 174.600 -0.182 0.000 1.029 153 S CA -0.403 57.678 58.200 -0.198 0.000 1.302 153 S CB 0.055 63.183 63.200 -0.120 0.000 1.212 153 S HN 0.280 nan 8.310 nan 0.000 0.683 154 N N 0.855 119.392 118.700 -0.272 0.000 2.735 154 N HA -0.197 4.543 4.740 0.000 0.000 0.248 154 N C -0.528 175.011 175.510 0.048 0.000 1.083 154 N CA 0.841 53.703 53.050 -0.314 0.000 0.703 154 N CB -2.317 35.847 38.487 -0.539 0.000 1.005 154 N HN 0.774 nan 8.380 nan 0.000 0.550 155 Y N 1.546 121.837 120.300 -0.015 0.000 2.511 155 Y HA 0.120 4.670 4.550 0.000 0.000 0.332 155 Y C 0.987 176.932 175.900 0.076 0.000 1.177 155 Y CA -0.173 57.940 58.100 0.021 0.000 1.422 155 Y CB 0.135 38.591 38.460 -0.007 0.000 1.271 155 Y HN 0.312 nan 8.280 nan 0.000 0.550 156 N N 5.346 123.716 118.700 -0.550 0.000 2.700 156 N HA -0.348 4.392 4.740 0.000 0.000 0.265 156 N C 0.403 175.837 175.510 -0.125 0.000 0.975 156 N CA 0.750 53.528 53.050 -0.454 0.000 0.800 156 N CB -0.868 37.181 38.487 -0.730 0.000 0.908 156 N HN 0.804 nan 8.380 nan 0.000 0.551 157 F N 0.375 120.271 119.950 -0.091 0.000 2.293 157 F HA -0.058 4.469 4.527 0.000 0.000 0.297 157 F C 1.726 177.716 175.800 0.317 0.000 1.089 157 F CA 0.926 58.978 58.000 0.087 0.000 1.377 157 F CB 0.361 39.409 39.000 0.081 0.000 1.051 157 F HN 0.178 nan 8.300 nan 0.000 0.511 158 E N -0.669 119.616 120.200 0.142 0.000 2.583 158 E HA -0.005 4.345 4.350 0.000 0.000 0.213 158 E C 1.508 178.129 176.600 0.034 0.000 0.989 158 E CA -0.291 56.221 56.400 0.187 0.000 0.991 158 E CB 0.360 30.203 29.700 0.238 0.000 1.040 158 E HN 0.124 nan 8.360 nan 0.000 0.481 159 K N 0.696 120.959 120.400 -0.229 0.000 2.044 159 K HA -0.136 4.184 4.320 0.000 0.000 0.210 159 K C -0.853 175.452 176.600 -0.492 0.000 1.049 159 K CA 1.430 57.339 56.287 -0.630 0.000 0.927 159 K CB -1.622 29.987 32.500 -1.485 0.000 0.713 159 K HN 0.148 nan 8.250 nan 0.000 0.443 160 P HA -0.115 nan 4.420 nan 0.000 0.218 160 P C 1.288 178.345 177.300 -0.405 0.000 1.148 160 P CA 1.240 64.135 63.100 -0.341 0.000 0.822 160 P CB -0.056 31.368 31.700 -0.460 0.000 0.784 161 F N -1.826 117.972 119.950 -0.253 0.000 2.262 161 F HA 0.034 4.561 4.527 0.000 0.000 0.292 161 F C 2.128 177.777 175.800 -0.250 0.000 1.081 161 F CA 0.441 58.149 58.000 -0.487 0.000 1.355 161 F CB -1.330 37.158 39.000 -0.852 0.000 1.069 161 F HN -0.213 nan 8.300 nan 0.000 0.506 162 L N -0.759 120.416 121.223 -0.080 0.000 2.127 162 L HA -0.206 4.134 4.340 0.000 0.000 0.211 162 L C 2.008 178.769 176.870 -0.182 0.000 1.089 162 L CA 1.684 56.257 54.840 -0.445 0.000 0.757 162 L CB -0.981 40.789 42.059 -0.482 0.000 0.899 162 L HN 0.353 nan 8.230 nan 0.000 0.434 163 W N -0.118 121.078 121.300 -0.174 0.000 2.381 163 W HA -0.155 4.505 4.660 0.000 0.000 0.321 163 W C 2.344 178.834 176.519 -0.048 0.000 1.196 163 W CA 2.010 59.318 57.345 -0.062 0.000 1.304 163 W CB -0.459 29.038 29.460 0.063 0.000 1.166 163 W HN 0.076 nan 8.180 nan 0.000 0.473 164 L N 0.840 122.134 121.223 0.118 0.000 2.021 164 L HA -0.342 3.998 4.340 0.000 0.000 0.215 164 L C 2.712 179.519 176.870 -0.105 0.000 1.074 164 L CA 1.903 56.733 54.840 -0.017 0.000 0.760 164 L CB -1.673 40.504 42.059 0.197 0.000 0.889 164 L HN 0.193 nan 8.230 nan 0.000 0.433 165 A N 0.190 123.059 122.820 0.081 0.000 1.869 165 A HA -0.298 4.022 4.320 0.000 0.000 0.218 165 A C 2.334 179.794 177.584 -0.207 0.000 1.203 165 A CA 2.284 54.312 52.037 -0.015 0.000 0.638 165 A CB -0.717 18.306 19.000 0.039 0.000 0.831 165 A HN 0.359 nan 8.150 nan 0.000 0.450 166 R N -0.670 119.668 120.500 -0.270 0.000 2.117 166 R HA -0.157 4.183 4.340 0.000 0.000 0.243 166 R C 2.136 178.233 176.300 -0.338 0.000 1.143 166 R CA 1.655 57.582 56.100 -0.289 0.000 0.968 166 R CB -0.180 29.941 30.300 -0.298 0.000 0.863 166 R HN 0.384 nan 8.270 nan 0.000 0.444 167 K N 0.462 120.571 120.400 -0.484 0.000 2.031 167 K HA -0.055 4.265 4.320 0.000 0.000 0.205 167 K C 2.115 178.526 176.600 -0.315 0.000 1.049 167 K CA 1.184 57.192 56.287 -0.466 0.000 0.939 167 K CB -0.291 31.800 32.500 -0.681 0.000 0.717 167 K HN 0.205 nan 8.250 nan 0.000 0.438 168 L N 0.754 121.763 121.223 -0.357 0.000 2.156 168 L HA -0.023 4.317 4.340 0.000 0.000 0.208 168 L C 2.147 178.874 176.870 -0.239 0.000 1.095 168 L CA 0.627 55.231 54.840 -0.393 0.000 0.770 168 L CB -0.198 41.314 42.059 -0.913 0.000 0.914 168 L HN 0.042 nan 8.230 nan 0.000 0.439 169 I N -0.270 120.180 120.570 -0.201 0.000 3.226 169 I HA 0.070 4.241 4.170 0.000 0.000 0.277 169 I C 1.381 177.460 176.117 -0.064 0.000 1.243 169 I CA 0.932 62.191 61.300 -0.068 0.000 1.459 169 I CB -0.990 36.984 38.000 -0.043 0.000 1.093 169 I HN 0.439 nan 8.210 nan 0.000 0.453 170 G N 2.804 111.539 108.800 -0.108 0.000 2.256 170 G HA2 -0.227 3.733 3.960 0.000 0.000 0.272 170 G HA3 -0.227 3.733 3.960 0.000 0.000 0.272 170 G C -0.157 174.697 174.900 -0.076 0.000 1.076 170 G CA 0.418 45.465 45.100 -0.089 0.000 0.882 170 G HN 0.466 nan 8.290 nan 0.000 0.497 171 D N -0.383 119.959 120.400 -0.096 0.000 2.476 171 D HA 0.443 5.083 4.640 0.000 0.000 0.251 171 D C -1.310 174.932 176.300 -0.097 0.000 1.291 171 D CA -1.769 52.185 54.000 -0.076 0.000 0.939 171 D CB 1.835 42.601 40.800 -0.057 0.000 1.221 171 D HN 0.055 nan 8.370 nan 0.000 0.567 172 P HA 0.004 nan 4.420 nan 0.000 0.216 172 P C 0.408 177.674 177.300 -0.058 0.000 1.153 172 P CA 0.755 63.812 63.100 -0.071 0.000 0.844 172 P CB 0.280 31.955 31.700 -0.042 0.000 0.787 173 N N 0.275 118.950 118.700 -0.043 0.000 2.466 173 N HA 0.087 4.827 4.740 0.000 0.000 0.251 173 N C -0.159 175.327 175.510 -0.041 0.000 1.164 173 N CA -0.211 52.819 53.050 -0.032 0.000 0.888 173 N CB 0.069 38.548 38.487 -0.015 0.000 1.177 173 N HN 0.111 nan 8.380 nan 0.000 0.498 174 L N 1.207 122.387 121.223 -0.071 0.000 2.295 174 L HA 0.297 4.637 4.340 0.000 0.000 0.288 174 L C -0.018 176.776 176.870 -0.125 0.000 1.079 174 L CA -0.359 54.432 54.840 -0.082 0.000 0.830 174 L CB 0.242 42.239 42.059 -0.104 0.000 1.200 174 L HN -0.038 nan 8.230 nan 0.000 0.438 175 E N 3.656 123.818 120.200 -0.063 0.000 2.204 175 E HA 0.414 4.764 4.350 0.000 0.000 0.276 175 E C -0.763 175.860 176.600 0.039 0.000 0.974 175 E CA -0.506 55.862 56.400 -0.053 0.000 0.815 175 E CB 0.757 30.465 29.700 0.012 0.000 1.119 175 E HN 0.400 nan 8.360 nan 0.000 0.393 176 F N 2.030 122.008 119.950 0.046 0.000 2.480 176 F HA 0.334 4.861 4.527 0.000 0.000 0.319 176 F C 0.518 176.370 175.800 0.087 0.000 1.230 176 F CA -0.292 57.754 58.000 0.076 0.000 1.285 176 F CB 0.517 39.559 39.000 0.071 0.000 1.208 176 F HN 0.204 nan 8.300 nan 0.000 0.579 177 V N 0.586 120.700 119.914 0.333 0.000 3.147 177 V HA 0.597 4.717 4.120 0.000 0.000 0.306 177 V C 0.413 176.594 176.094 0.144 0.000 1.209 177 V CA -0.193 62.224 62.300 0.196 0.000 1.023 177 V CB 1.748 33.662 31.823 0.151 0.000 1.059 177 V HN 0.881 nan 8.190 nan 0.000 0.435 178 A N 5.376 128.251 122.820 0.091 0.000 1.896 178 A HA -0.164 4.156 4.320 0.000 0.000 0.220 178 A C 1.407 178.986 177.584 -0.008 0.000 1.206 178 A CA 2.522 54.585 52.037 0.045 0.000 0.647 178 A CB -0.489 18.528 19.000 0.029 0.000 0.828 178 A HN 0.945 nan 8.150 nan 0.000 0.455 179 M N 0.000 119.580 119.600 -0.033 0.000 2.572 179 M HA 0.000 4.480 4.480 0.000 0.000 0.227 179 M CA 0.000 55.202 55.300 -0.163 0.000 0.988 179 M CB 0.000 32.540 32.600 -0.100 0.000 1.302 179 M HN 0.000 nan 8.290 nan 0.000 0.411