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 2z5c_1_A DATA FIRST_RESID 4 DATA SEQUENCE KTISRTIESX XXXXQPTLDV IATLPADXXX KKIPISLVVG FKQEXXXXSS DATA SEQUENCE SSLSCYYYAI PLMRDRXXXX XXXXSNVVGI PLLDTKDDRI RDMARHMATI DATA SEQUENCE ISERFNRPCY VTWSSLPSED PSMLVANHLY ILKKCLDLLK TELG 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.589 176.600 -0.018 0.000 0.988 4 K CA 0.000 56.279 56.287 -0.014 0.000 0.838 4 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 5 T N 2.121 116.664 114.554 -0.018 0.000 2.886 5 T HA 0.667 5.017 4.350 -0.000 0.000 0.292 5 T C -1.421 173.266 174.700 -0.021 0.000 1.012 5 T CA -0.694 61.393 62.100 -0.021 0.000 0.982 5 T CB 1.270 70.124 68.868 -0.023 0.000 1.018 5 T HN 0.357 nan 8.240 nan 0.000 0.451 6 I N 0.523 121.079 120.570 -0.023 0.000 2.478 6 I HA 0.722 4.892 4.170 -0.000 0.000 0.287 6 I C -0.288 175.816 176.117 -0.022 0.000 1.042 6 I CA -0.608 60.679 61.300 -0.021 0.000 1.067 6 I CB 2.132 40.120 38.000 -0.021 0.000 1.233 6 I HN 0.339 nan 8.210 nan 0.000 0.431 7 S N 6.117 121.805 115.700 -0.020 0.000 2.565 7 S HA 0.637 5.107 4.470 -0.000 0.000 0.274 7 S C -0.256 174.335 174.600 -0.015 0.000 1.309 7 S CA -0.647 57.541 58.200 -0.020 0.000 1.043 7 S CB 0.549 63.737 63.200 -0.020 0.000 0.939 7 S HN 0.560 nan 8.310 nan 0.000 0.504 8 R N 1.147 121.638 120.500 -0.014 0.000 2.663 8 R HA 0.430 4.770 4.340 -0.000 0.000 0.267 8 R C -1.325 174.975 176.300 -0.001 0.000 1.038 8 R CA -0.682 55.415 56.100 -0.006 0.000 0.886 8 R CB 1.568 31.864 30.300 -0.006 0.000 1.249 8 R HN 0.746 nan 8.270 nan 0.000 0.463 9 T N -0.906 113.655 114.554 0.011 0.000 2.847 9 T HA 0.540 4.890 4.350 -0.000 0.000 0.291 9 T C 0.545 175.268 174.700 0.038 0.000 0.998 9 T CA -0.854 61.261 62.100 0.024 0.000 0.967 9 T CB 0.577 69.461 68.868 0.026 0.000 0.954 9 T HN 0.528 nan 8.240 nan 0.000 0.441 10 I N 0.345 120.946 120.570 0.052 0.000 2.304 10 I HA 0.596 4.766 4.170 -0.000 0.000 0.291 10 I C -0.330 175.852 176.117 0.109 0.000 1.018 10 I CA -0.781 60.558 61.300 0.064 0.000 1.260 10 I CB 1.070 39.094 38.000 0.040 0.000 1.390 10 I HN 0.453 nan 8.210 nan 0.000 0.475 11 E N 4.179 124.438 120.200 0.098 0.000 2.250 11 E HA 0.461 4.811 4.350 -0.000 0.000 0.269 11 E C -0.701 175.974 176.600 0.124 0.000 1.018 11 E CA -0.413 56.047 56.400 0.100 0.000 0.873 11 E CB 2.262 32.002 29.700 0.065 0.000 1.134 11 E HN 0.733 nan 8.360 nan 0.000 0.403 19 P HA -0.011 nan 4.420 nan 0.000 0.271 19 P C -0.137 177.306 177.300 0.239 0.000 1.233 19 P CA 0.271 63.415 63.100 0.073 0.000 0.795 19 P CB 0.593 32.262 31.700 -0.050 0.000 0.936 20 T N 1.652 116.318 114.554 0.187 0.000 2.897 20 T HA 0.359 4.709 4.350 -0.000 0.000 0.294 20 T C -0.186 174.664 174.700 0.249 0.000 1.004 20 T CA -0.025 62.191 62.100 0.192 0.000 1.106 20 T CB 0.060 68.995 68.868 0.113 0.000 0.949 20 T HN 0.053 nan 8.240 nan 0.000 0.520 21 L N 3.245 124.588 121.223 0.199 0.000 2.346 21 L HA 0.487 4.827 4.340 -0.000 0.000 0.274 21 L C 0.010 176.915 176.870 0.058 0.000 1.007 21 L CA -0.661 54.269 54.840 0.149 0.000 0.818 21 L CB 1.785 43.914 42.059 0.117 0.000 1.284 21 L HN 0.547 nan 8.230 nan 0.000 0.424 22 D N 1.446 121.847 120.400 0.001 0.000 2.177 22 D HA 0.542 5.182 4.640 -0.000 0.000 0.247 22 D C -0.831 175.431 176.300 -0.063 0.000 1.063 22 D CA 0.039 54.018 54.000 -0.035 0.000 0.867 22 D CB 2.166 42.934 40.800 -0.054 0.000 1.168 22 D HN 0.111 nan 8.370 nan 0.000 0.445 23 V N 3.949 123.837 119.914 -0.044 0.000 2.509 23 V HA 0.272 4.392 4.120 -0.000 0.000 0.289 23 V C -0.100 175.971 176.094 -0.037 0.000 1.026 23 V CA -0.625 61.651 62.300 -0.041 0.000 0.872 23 V CB 1.260 33.066 31.823 -0.027 0.000 1.017 23 V HN 0.381 nan 8.190 nan 0.000 0.436 24 I N 4.161 124.705 120.570 -0.044 0.000 2.325 24 I HA 0.730 4.900 4.170 -0.000 0.000 0.291 24 I C 0.495 176.597 176.117 -0.025 0.000 1.019 24 I CA -0.001 61.277 61.300 -0.037 0.000 1.302 24 I CB 1.413 39.385 38.000 -0.046 0.000 1.401 24 I HN 0.657 nan 8.210 nan 0.000 0.485 25 A N 4.441 127.247 122.820 -0.023 0.000 2.385 25 A HA 0.659 4.979 4.320 -0.000 0.000 0.290 25 A C -0.378 177.193 177.584 -0.022 0.000 1.094 25 A CA -0.518 51.508 52.037 -0.019 0.000 0.729 25 A CB 1.025 20.007 19.000 -0.031 0.000 1.194 25 A HN 0.596 nan 8.150 nan 0.000 0.442 26 T N 4.868 119.415 114.554 -0.011 0.000 2.799 26 T HA 0.664 5.014 4.350 -0.000 0.000 0.286 26 T C -0.004 174.688 174.700 -0.012 0.000 0.973 26 T CA -0.260 61.832 62.100 -0.012 0.000 1.035 26 T CB 0.529 69.392 68.868 -0.009 0.000 0.932 26 T HN 0.768 nan 8.240 nan 0.000 0.469 27 L N 0.732 121.941 121.223 -0.022 0.000 2.801 27 L HA 0.724 5.064 4.340 -0.000 0.000 0.264 27 L C -3.296 173.562 176.870 -0.020 0.000 1.086 27 L CA -2.924 51.898 54.840 -0.030 0.000 0.920 27 L CB 0.306 42.319 42.059 -0.075 0.000 1.529 27 L HN 0.242 nan 8.230 nan 0.000 0.399 28 P HA 0.277 nan 4.420 nan 0.000 0.271 28 P C 0.246 177.542 177.300 -0.006 0.000 1.216 28 P CA 0.296 63.394 63.100 -0.005 0.000 0.776 28 P CB 0.950 32.651 31.700 0.002 0.000 0.881 29 A N 4.103 126.922 122.820 -0.001 0.000 1.836 29 A HA -0.082 4.237 4.320 -0.000 0.000 0.212 29 A C 0.881 178.469 177.584 0.006 0.000 1.243 29 A CA 1.185 53.223 52.037 0.001 0.000 0.620 29 A CB -1.593 17.408 19.000 0.002 0.000 0.889 29 A HN 0.728 nan 8.150 nan 0.000 0.463 35 K N 0.450 120.878 120.400 0.048 0.000 2.379 35 K HA 0.304 4.624 4.320 -0.000 0.000 0.194 35 K C -0.314 176.332 176.600 0.077 0.000 1.031 35 K CA 0.088 56.411 56.287 0.060 0.000 1.037 35 K CB 0.351 32.882 32.500 0.053 0.000 0.824 35 K HN 0.015 nan 8.250 nan 0.000 0.516 36 I N 4.266 124.875 120.570 0.065 0.000 2.494 36 I HA 0.008 4.178 4.170 -0.000 0.000 0.289 36 I C -2.096 174.074 176.117 0.089 0.000 1.106 36 I CA -1.839 59.501 61.300 0.068 0.000 1.369 36 I CB 0.089 38.115 38.000 0.043 0.000 1.410 36 I HN -0.062 nan 8.210 nan 0.000 0.523 37 P HA 0.284 nan 4.420 nan 0.000 0.282 37 P C -0.240 177.151 177.300 0.152 0.000 1.249 37 P CA -0.382 62.835 63.100 0.195 0.000 0.806 37 P CB 1.035 32.989 31.700 0.424 0.000 0.984 38 I N 1.221 121.861 120.570 0.116 0.000 2.529 38 I HA 0.110 4.280 4.170 -0.000 0.000 0.284 38 I C 1.021 177.236 176.117 0.164 0.000 1.082 38 I CA 0.580 61.917 61.300 0.062 0.000 1.406 38 I CB 0.504 38.488 38.000 -0.027 0.000 1.405 38 I HN 0.280 nan 8.210 nan 0.000 0.548 39 S N 6.350 122.123 115.700 0.122 0.000 2.561 39 S HA 0.662 5.132 4.470 -0.000 0.000 0.303 39 S C -0.989 173.676 174.600 0.107 0.000 1.110 39 S CA -0.504 57.800 58.200 0.172 0.000 1.034 39 S CB 0.970 64.233 63.200 0.105 0.000 1.010 39 S HN 0.375 nan 8.310 nan 0.000 0.482 40 L N 6.074 127.384 121.223 0.143 0.000 2.471 40 L HA 0.554 4.894 4.340 -0.000 0.000 0.263 40 L C -1.076 175.850 176.870 0.093 0.000 0.985 40 L CA -0.313 54.580 54.840 0.088 0.000 0.868 40 L CB 1.544 43.651 42.059 0.079 0.000 1.203 40 L HN 0.459 nan 8.230 nan 0.000 0.429 41 V N 4.530 124.463 119.914 0.033 0.000 2.465 41 V HA 0.632 4.752 4.120 -0.000 0.000 0.279 41 V C -0.293 175.772 176.094 -0.048 0.000 1.045 41 V CA -0.586 61.707 62.300 -0.011 0.000 0.938 41 V CB 1.596 33.381 31.823 -0.064 0.000 0.986 41 V HN 0.480 nan 8.190 nan 0.000 0.467 42 V N 4.413 124.275 119.914 -0.087 0.000 2.610 42 V HA 0.910 5.030 4.120 -0.000 0.000 0.298 42 V C -0.017 175.737 176.094 -0.567 0.000 1.067 42 V CA 0.470 62.672 62.300 -0.164 0.000 0.894 42 V CB 1.554 33.378 31.823 0.001 0.000 1.015 42 V HN 1.024 nan 8.190 nan 0.000 0.432 43 G N 4.384 112.813 108.800 -0.618 0.000 2.816 43 G HA2 0.680 4.640 3.960 -0.000 0.000 0.288 43 G HA3 0.680 4.640 3.960 -0.000 0.000 0.288 43 G C -1.106 173.478 174.900 -0.526 0.000 1.334 43 G CA -0.916 43.585 45.100 -0.999 0.000 0.978 43 G HN 0.554 nan 8.290 nan 0.000 0.493 44 F N 0.860 120.698 119.950 -0.188 0.000 2.543 44 F HA 0.267 4.794 4.527 0.000 0.000 0.375 44 F C 1.219 176.994 175.800 -0.042 0.000 1.075 44 F CA -0.300 57.696 58.000 -0.008 0.000 1.225 44 F CB 0.824 39.867 39.000 0.070 0.000 1.099 44 F HN 0.362 nan 8.300 nan 0.000 0.561 45 K N 2.744 123.251 120.400 0.178 0.000 2.276 45 K HA 0.179 4.499 4.320 -0.000 0.000 0.259 45 K C -0.558 176.095 176.600 0.088 0.000 1.001 45 K CA -0.384 55.957 56.287 0.091 0.000 0.927 45 K CB 0.615 33.157 32.500 0.070 0.000 0.969 45 K HN 0.796 nan 8.250 nan 0.000 0.490 46 Q N 1.745 121.573 119.800 0.047 0.000 2.331 46 Q HA 0.295 4.635 4.340 -0.000 0.000 0.272 46 Q C -1.554 174.457 176.000 0.019 0.000 1.062 46 Q CA -0.725 55.098 55.803 0.034 0.000 0.806 46 Q CB 1.787 30.543 28.738 0.030 0.000 1.312 46 Q HN 0.615 nan 8.270 nan 0.000 0.431 53 S N 0.639 116.332 115.700 -0.012 0.000 2.911 53 S HA 0.812 5.282 4.470 -0.000 0.000 0.319 53 S C -0.395 174.187 174.600 -0.029 0.000 1.154 53 S CA -0.249 57.938 58.200 -0.021 0.000 0.857 53 S CB 1.186 64.370 63.200 -0.028 0.000 1.279 53 S HN 0.519 nan 8.310 nan 0.000 0.593 54 S N 0.472 116.143 115.700 -0.048 0.000 2.646 54 S HA 0.753 5.223 4.470 -0.000 0.000 0.276 54 S C -0.155 174.406 174.600 -0.065 0.000 1.222 54 S CA -0.302 57.857 58.200 -0.068 0.000 1.014 54 S CB 0.796 63.927 63.200 -0.115 0.000 0.991 54 S HN 1.058 nan 8.310 nan 0.000 0.533 55 S N 2.454 118.115 115.700 -0.065 0.000 2.648 55 S HA 0.685 5.155 4.470 -0.000 0.000 0.305 55 S C -0.939 173.617 174.600 -0.074 0.000 1.094 55 S CA -0.867 57.301 58.200 -0.053 0.000 0.983 55 S CB 1.263 64.451 63.200 -0.020 0.000 1.101 55 S HN 0.577 nan 8.310 nan 0.000 0.514 56 L N 2.255 123.446 121.223 -0.054 0.000 2.265 56 L HA 0.633 4.973 4.340 -0.000 0.000 0.288 56 L C 0.491 177.374 176.870 0.022 0.000 1.058 56 L CA 0.442 55.254 54.840 -0.047 0.000 0.809 56 L CB 0.717 42.737 42.059 -0.065 0.000 1.179 56 L HN 0.857 nan 8.230 nan 0.000 0.429 57 S N 2.893 118.636 115.700 0.072 0.000 2.502 57 S HA 0.177 4.647 4.470 -0.000 0.000 0.228 57 S C 0.133 174.851 174.600 0.197 0.000 1.061 57 S CA 0.367 58.659 58.200 0.154 0.000 0.935 57 S CB 0.095 63.450 63.200 0.259 0.000 0.809 57 S HN 0.770 nan 8.310 nan 0.000 0.510 58 C N 1.316 120.763 119.300 0.245 0.000 2.931 58 C HA 0.631 5.091 4.460 -0.000 0.000 0.370 58 C C -1.991 173.222 174.990 0.372 0.000 1.071 58 C CA -0.884 58.307 59.018 0.288 0.000 1.266 58 C CB 0.502 28.416 27.740 0.290 0.000 1.691 58 C HN 0.449 nan 8.230 nan 0.000 0.511 59 Y N 4.338 124.757 120.300 0.198 0.000 2.409 59 Y HA 0.776 5.326 4.550 -0.000 0.000 0.339 59 Y C -1.192 174.868 175.900 0.267 0.000 1.033 59 Y CA -1.043 57.180 58.100 0.206 0.000 1.094 59 Y CB 1.408 39.952 38.460 0.141 0.000 1.210 59 Y HN 0.774 nan 8.280 nan 0.000 0.456 60 Y N 4.877 125.201 120.300 0.040 0.000 2.552 60 Y HA 0.415 4.965 4.550 -0.000 0.000 0.337 60 Y C -2.001 173.846 175.900 -0.088 0.000 1.094 60 Y CA -1.150 56.933 58.100 -0.028 0.000 1.028 60 Y CB 1.493 39.984 38.460 0.052 0.000 1.321 60 Y HN 0.589 nan 8.280 nan 0.000 0.456 61 Y N 3.043 123.148 120.300 -0.326 0.000 2.512 61 Y HA 0.898 5.448 4.550 -0.000 0.000 0.348 61 Y C -1.487 174.287 175.900 -0.210 0.000 0.990 61 Y CA -0.647 57.213 58.100 -0.401 0.000 1.033 61 Y CB 1.818 39.929 38.460 -0.581 0.000 1.259 61 Y HN 0.779 nan 8.280 nan 0.000 0.461 62 A N 5.323 127.569 122.820 -0.957 0.000 2.612 62 A HA 0.777 5.097 4.320 -0.000 0.000 0.293 62 A C -2.270 174.786 177.584 -0.880 0.000 1.075 62 A CA -0.549 51.059 52.037 -0.716 0.000 0.680 62 A CB 1.381 20.232 19.000 -0.249 0.000 1.279 62 A HN 0.976 nan 8.150 nan 0.000 0.411 63 I N 1.414 121.665 120.570 -0.533 0.000 2.775 63 I HA 0.632 4.802 4.170 -0.000 0.000 0.295 63 I C -2.860 173.147 176.117 -0.183 0.000 1.287 63 I CA -2.264 58.820 61.300 -0.359 0.000 1.029 63 I CB 3.125 40.935 38.000 -0.316 0.000 1.282 63 I HN 0.512 nan 8.210 nan 0.000 0.426 64 P HA 0.313 nan 4.420 nan 0.000 0.281 64 P C -1.012 176.257 177.300 -0.051 0.000 1.249 64 P CA -0.373 62.682 63.100 -0.074 0.000 0.810 64 P CB 1.085 32.754 31.700 -0.052 0.000 1.008 65 L N 1.709 122.907 121.223 -0.042 0.000 2.452 65 L HA 0.290 4.630 4.340 -0.000 0.000 0.267 65 L C 1.253 178.110 176.870 -0.022 0.000 1.188 65 L CA -0.401 54.422 54.840 -0.027 0.000 0.821 65 L CB -0.297 41.747 42.059 -0.025 0.000 1.102 65 L HN 0.309 nan 8.230 nan 0.000 0.470 66 M N 1.231 120.822 119.600 -0.014 0.000 2.267 66 M HA 0.226 4.706 4.480 -0.000 0.000 0.303 66 M C 1.005 177.298 176.300 -0.011 0.000 1.164 66 M CA -0.071 55.222 55.300 -0.011 0.000 1.060 66 M CB 1.017 33.613 32.600 -0.006 0.000 1.455 66 M HN 0.422 nan 8.290 nan 0.000 0.483 67 R N 0.246 120.740 120.500 -0.010 0.000 2.328 67 R HA 0.020 4.360 4.340 -0.000 0.000 0.206 67 R C -0.293 176.003 176.300 -0.007 0.000 0.990 67 R CA 0.204 56.298 56.100 -0.010 0.000 1.085 67 R CB -0.978 29.316 30.300 -0.011 0.000 0.998 67 R HN 0.546 nan 8.270 nan 0.000 0.484 68 D N 1.512 121.909 120.400 -0.006 0.000 2.662 68 D HA 0.058 4.698 4.640 -0.000 0.000 0.228 68 D C -0.376 175.921 176.300 -0.005 0.000 1.093 68 D CA 0.035 54.033 54.000 -0.004 0.000 1.075 68 D CB 0.106 40.905 40.800 -0.002 0.000 1.122 68 D HN 0.286 nan 8.370 nan 0.000 0.475 79 N N 0.831 119.509 118.700 -0.037 0.000 2.297 79 N HA 0.333 5.073 4.740 -0.000 0.000 0.232 79 N C -0.237 175.245 175.510 -0.048 0.000 1.311 79 N CA 0.373 53.399 53.050 -0.041 0.000 0.897 79 N CB 1.085 39.552 38.487 -0.033 0.000 1.137 79 N HN 0.322 nan 8.380 nan 0.000 0.449 80 V N 0.179 120.060 119.914 -0.054 0.000 3.160 80 V HA 0.612 4.732 4.120 -0.000 0.000 0.310 80 V C -1.036 175.022 176.094 -0.061 0.000 1.181 80 V CA -0.625 61.634 62.300 -0.069 0.000 1.047 80 V CB 2.471 34.244 31.823 -0.083 0.000 1.068 80 V HN 0.278 nan 8.190 nan 0.000 0.441 81 V N 1.399 121.265 119.914 -0.080 0.000 2.932 81 V HA 1.014 5.134 4.120 -0.000 0.000 0.307 81 V C -0.079 175.963 176.094 -0.087 0.000 1.147 81 V CA 0.580 62.846 62.300 -0.056 0.000 0.951 81 V CB 1.944 33.742 31.823 -0.042 0.000 1.031 81 V HN 1.335 nan 8.190 nan 0.000 0.426 82 G N 4.183 112.965 108.800 -0.031 0.000 2.576 82 G HA2 0.682 4.642 3.960 -0.000 0.000 0.290 82 G HA3 0.682 4.642 3.960 -0.000 0.000 0.290 82 G C -2.256 172.607 174.900 -0.062 0.000 1.442 82 G CA -0.340 44.735 45.100 -0.041 0.000 0.792 82 G HN 0.671 nan 8.290 nan 0.000 0.491 83 I N 0.694 121.079 120.570 -0.308 0.000 2.841 83 I HA 0.455 4.625 4.170 -0.000 0.000 0.298 83 I C -2.526 172.998 176.117 -0.989 0.000 1.304 83 I CA -2.540 58.494 61.300 -0.443 0.000 1.019 83 I CB 3.078 40.974 38.000 -0.173 0.000 1.282 83 I HN 0.216 nan 8.210 nan 0.000 0.432 84 P HA 0.060 nan 4.420 nan 0.000 0.269 84 P C 0.504 177.640 177.300 -0.275 0.000 1.263 84 P CA -0.252 62.519 63.100 -0.549 0.000 0.813 84 P CB 0.596 32.240 31.700 -0.094 0.000 0.868 85 L N 4.037 125.098 121.223 -0.269 0.000 1.994 85 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 85 L C 1.389 178.278 176.870 0.031 0.000 1.071 85 L CA 1.626 56.377 54.840 -0.148 0.000 0.745 85 L CB -0.926 40.939 42.059 -0.324 0.000 0.892 85 L HN 0.394 nan 8.230 nan 0.000 0.431 86 L N 0.090 121.399 121.223 0.143 0.000 2.377 86 L HA 0.326 4.666 4.340 -0.000 0.000 0.270 86 L C -0.603 176.364 176.870 0.163 0.000 0.991 86 L CA -0.524 54.417 54.840 0.168 0.000 0.851 86 L CB 1.232 43.428 42.059 0.229 0.000 1.218 86 L HN 0.042 nan 8.230 nan 0.000 0.420 87 D N 1.843 122.312 120.400 0.115 0.000 2.433 87 D HA 0.448 5.088 4.640 -0.000 0.000 0.255 87 D C -0.332 176.044 176.300 0.126 0.000 1.226 87 D CA 0.294 54.371 54.000 0.128 0.000 1.015 87 D CB 1.645 42.499 40.800 0.090 0.000 1.091 87 D HN 0.518 nan 8.370 nan 0.000 0.527 88 T N -1.865 112.762 114.554 0.122 0.000 2.853 88 T HA 0.334 4.684 4.350 -0.000 0.000 0.311 88 T C 0.357 175.108 174.700 0.085 0.000 1.307 88 T CA -0.662 61.501 62.100 0.105 0.000 1.019 88 T CB 1.104 70.047 68.868 0.124 0.000 1.264 88 T HN 0.271 nan 8.240 nan 0.000 0.497 89 K N 0.505 120.948 120.400 0.072 0.000 2.217 89 K HA 0.068 4.388 4.320 -0.000 0.000 0.202 89 K C 0.345 176.977 176.600 0.054 0.000 1.051 89 K CA 0.619 56.941 56.287 0.057 0.000 0.952 89 K CB 0.034 32.564 32.500 0.050 0.000 0.736 89 K HN 0.505 nan 8.250 nan 0.000 0.453 90 D N 0.914 121.351 120.400 0.061 0.000 2.316 90 D HA 0.004 4.644 4.640 -0.000 0.000 0.245 90 D C 0.125 176.448 176.300 0.038 0.000 1.171 90 D CA -0.152 53.879 54.000 0.050 0.000 0.856 90 D CB 1.049 41.887 40.800 0.063 0.000 1.090 90 D HN -0.064 nan 8.370 nan 0.000 0.476 91 D N 3.212 123.626 120.400 0.024 0.000 2.117 91 D HA -0.118 4.522 4.640 -0.000 0.000 0.197 91 D C 1.845 178.139 176.300 -0.009 0.000 0.987 91 D CA 0.929 54.936 54.000 0.012 0.000 0.829 91 D CB 0.178 40.980 40.800 0.003 0.000 0.961 91 D HN 0.460 nan 8.370 nan 0.000 0.460 92 R N 0.161 120.651 120.500 -0.018 0.000 2.083 92 R HA -0.061 4.279 4.340 -0.000 0.000 0.237 92 R C 2.536 178.782 176.300 -0.090 0.000 1.137 92 R CA 0.848 56.920 56.100 -0.047 0.000 0.951 92 R CB -0.277 29.999 30.300 -0.039 0.000 0.851 92 R HN 0.264 nan 8.270 nan 0.000 0.434 93 I N -0.047 120.479 120.570 -0.072 0.000 2.202 93 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 93 I C 2.726 178.801 176.117 -0.070 0.000 1.091 93 I CA 1.127 62.357 61.300 -0.117 0.000 1.368 93 I CB -0.375 37.648 38.000 0.039 0.000 1.058 93 I HN 0.177 nan 8.210 nan 0.000 0.410 94 R N 1.256 121.754 120.500 -0.003 0.000 2.103 94 R HA -0.214 4.126 4.340 -0.000 0.000 0.234 94 R C 2.048 178.284 176.300 -0.106 0.000 1.132 94 R CA 2.415 58.519 56.100 0.006 0.000 0.925 94 R CB -0.286 30.052 30.300 0.064 0.000 0.842 94 R HN 0.324 nan 8.270 nan 0.000 0.430 95 D N 0.340 120.700 120.400 -0.066 0.000 2.133 95 D HA -0.237 4.403 4.640 -0.000 0.000 0.195 95 D C 1.792 178.082 176.300 -0.016 0.000 0.997 95 D CA 1.586 55.558 54.000 -0.047 0.000 0.840 95 D CB -0.336 40.452 40.800 -0.019 0.000 0.947 95 D HN 0.260 nan 8.370 nan 0.000 0.452 96 M N 1.353 120.914 119.600 -0.066 0.000 2.086 96 M HA -0.044 4.436 4.480 -0.000 0.000 0.261 96 M C 1.980 178.150 176.300 -0.216 0.000 1.067 96 M CA 1.894 57.083 55.300 -0.185 0.000 1.116 96 M CB -0.555 31.808 32.600 -0.396 0.000 1.348 96 M HN -0.048 nan 8.290 nan 0.000 0.407 97 A N 0.026 122.730 122.820 -0.194 0.000 1.930 97 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 97 A C 2.368 179.723 177.584 -0.380 0.000 1.175 97 A CA 1.811 53.766 52.037 -0.136 0.000 0.627 97 A CB -0.763 18.258 19.000 0.034 0.000 0.815 97 A HN 0.656 nan 8.150 nan 0.000 0.443 98 R N -1.333 118.739 120.500 -0.713 0.000 2.064 98 R HA -0.188 4.152 4.340 -0.000 0.000 0.228 98 R C 2.302 178.397 176.300 -0.343 0.000 1.144 98 R CA 1.629 57.130 56.100 -0.998 0.000 0.932 98 R CB -0.662 29.120 30.300 -0.862 0.000 0.833 98 R HN 0.660 nan 8.270 nan 0.000 0.429 99 H N 0.491 119.417 119.070 -0.239 0.000 2.321 99 H HA -0.218 4.338 4.556 -0.000 0.000 0.295 99 H C 2.014 177.277 175.328 -0.108 0.000 1.102 99 H CA 2.423 58.407 56.048 -0.106 0.000 1.266 99 H CB -0.185 29.586 29.762 0.015 0.000 1.363 99 H HN 0.302 nan 8.280 nan 0.000 0.492 100 M N -0.356 119.262 119.600 0.030 0.000 2.213 100 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 100 M C 2.445 178.740 176.300 -0.008 0.000 1.062 100 M CA 1.578 56.880 55.300 0.005 0.000 1.105 100 M CB -0.110 32.468 32.600 -0.037 0.000 1.385 100 M HN 0.363 nan 8.290 nan 0.000 0.417 101 A N -0.880 121.917 122.820 -0.038 0.000 1.903 101 A HA -0.071 4.249 4.320 -0.000 0.000 0.213 101 A C 1.970 179.526 177.584 -0.046 0.000 1.185 101 A CA 1.692 53.724 52.037 -0.008 0.000 0.628 101 A CB -1.001 18.037 19.000 0.064 0.000 0.830 101 A HN 0.441 nan 8.150 nan 0.000 0.446 102 T N 0.721 115.224 114.554 -0.085 0.000 2.597 102 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 102 T C 1.756 176.392 174.700 -0.108 0.000 1.053 102 T CA 2.154 64.185 62.100 -0.114 0.000 1.165 102 T CB -0.430 68.329 68.868 -0.182 0.000 0.863 102 T HN 0.326 nan 8.240 nan 0.000 0.427 103 I N 0.298 120.796 120.570 -0.120 0.000 2.252 103 I HA -0.053 4.117 4.170 -0.000 0.000 0.245 103 I C 2.233 178.352 176.117 0.004 0.000 1.102 103 I CA 0.979 62.233 61.300 -0.076 0.000 1.385 103 I CB -0.388 37.575 38.000 -0.061 0.000 1.064 103 I HN 0.242 nan 8.210 nan 0.000 0.414 104 I N -0.715 119.887 120.570 0.054 0.000 2.163 104 I HA -0.367 3.803 4.170 -0.000 0.000 0.243 104 I C 2.675 178.898 176.117 0.176 0.000 1.085 104 I CA 1.581 62.984 61.300 0.172 0.000 1.347 104 I CB -0.423 37.651 38.000 0.124 0.000 1.044 104 I HN 0.180 nan 8.210 nan 0.000 0.408 105 S N -0.045 115.685 115.700 0.049 0.000 2.368 105 S HA -0.247 4.223 4.470 -0.000 0.000 0.224 105 S C 1.974 176.575 174.600 0.001 0.000 1.029 105 S CA 1.774 59.977 58.200 0.006 0.000 0.988 105 S CB -0.187 62.958 63.200 -0.092 0.000 0.838 105 S HN 0.455 nan 8.310 nan 0.000 0.462 106 E N 0.650 120.832 120.200 -0.030 0.000 2.051 106 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 106 E C 2.189 178.747 176.600 -0.069 0.000 0.991 106 E CA 1.322 57.691 56.400 -0.051 0.000 0.799 106 E CB -0.144 29.515 29.700 -0.069 0.000 0.748 106 E HN 0.472 nan 8.360 nan 0.000 0.449 107 R N -1.050 119.394 120.500 -0.094 0.000 2.153 107 R HA -0.011 4.329 4.340 -0.000 0.000 0.218 107 R C 1.115 177.163 176.300 -0.420 0.000 1.072 107 R CA 1.043 56.983 56.100 -0.266 0.000 0.990 107 R CB -0.091 30.010 30.300 -0.332 0.000 0.889 107 R HN 0.164 nan 8.270 nan 0.000 0.452 108 F N 1.203 121.139 119.950 -0.023 0.000 2.695 108 F HA 0.255 4.782 4.527 -0.000 0.000 0.303 108 F C 0.296 176.086 175.800 -0.016 0.000 1.091 108 F CA -0.217 57.774 58.000 -0.015 0.000 1.300 108 F CB -0.171 38.824 39.000 -0.008 0.000 1.071 108 F HN 0.117 nan 8.300 nan 0.000 0.578 109 N N 2.223 120.966 118.700 0.072 0.000 2.689 109 N HA -0.254 4.486 4.740 -0.000 0.000 0.263 109 N C -0.428 175.115 175.510 0.055 0.000 0.987 109 N CA 0.368 53.441 53.050 0.037 0.000 0.782 109 N CB -0.377 38.117 38.487 0.012 0.000 0.903 109 N HN 0.410 nan 8.380 nan 0.000 0.547 110 R N -0.071 120.466 120.500 0.061 0.000 2.739 110 R HA 0.467 4.807 4.340 -0.000 0.000 0.271 110 R C -2.626 173.670 176.300 -0.006 0.000 1.010 110 R CA -1.447 54.681 56.100 0.047 0.000 0.897 110 R CB 1.958 32.305 30.300 0.078 0.000 1.236 110 R HN 0.070 nan 8.270 nan 0.000 0.466 111 P HA 0.105 nan 4.420 nan 0.000 0.272 111 P C -0.513 176.740 177.300 -0.080 0.000 1.223 111 P CA -0.395 62.620 63.100 -0.141 0.000 0.784 111 P CB 0.627 32.283 31.700 -0.073 0.000 0.923 112 C N 2.609 121.785 119.300 -0.207 0.000 2.888 112 C HA 0.683 5.143 4.460 -0.000 0.000 0.308 112 C C -1.416 173.521 174.990 -0.088 0.000 1.213 112 C CA -0.860 58.139 59.018 -0.032 0.000 1.461 112 C CB 0.245 27.999 27.740 0.024 0.000 1.934 112 C HN 0.462 nan 8.230 nan 0.000 0.474 113 Y N 2.441 122.830 120.300 0.149 0.000 2.331 113 Y HA 0.671 5.221 4.550 0.000 0.000 0.338 113 Y C 0.233 176.278 175.900 0.241 0.000 0.992 113 Y CA -0.738 57.482 58.100 0.200 0.000 1.121 113 Y CB 1.733 40.346 38.460 0.256 0.000 1.184 113 Y HN 0.660 nan 8.280 nan 0.000 0.469 114 V N 3.187 123.333 119.914 0.387 0.000 2.540 114 V HA 0.479 4.599 4.120 -0.000 0.000 0.302 114 V C -0.370 175.995 176.094 0.450 0.000 1.035 114 V CA -0.795 61.707 62.300 0.337 0.000 0.873 114 V CB 2.118 34.075 31.823 0.223 0.000 0.992 114 V HN 0.806 nan 8.190 nan 0.000 0.428 115 T N 4.530 119.291 114.554 0.344 0.000 2.794 115 T HA 0.311 4.661 4.350 -0.000 0.000 0.280 115 T C -0.675 174.166 174.700 0.234 0.000 0.987 115 T CA -0.251 62.014 62.100 0.275 0.000 0.993 115 T CB 1.121 70.027 68.868 0.064 0.000 0.939 115 T HN 0.728 nan 8.240 nan 0.000 0.449 116 W N 4.901 126.237 121.300 0.060 0.000 2.316 116 W HA 0.441 5.101 4.660 -0.000 0.000 0.308 116 W C 0.216 176.726 176.519 -0.014 0.000 1.106 116 W CA -0.848 56.491 57.345 -0.011 0.000 1.262 116 W CB 0.972 30.420 29.460 -0.019 0.000 1.233 116 W HN 0.749 nan 8.180 nan 0.000 0.447 117 S N 4.301 119.513 115.700 -0.814 0.000 2.632 117 S HA 0.593 5.063 4.470 -0.000 0.000 0.271 117 S C -0.501 173.581 174.600 -0.864 0.000 1.260 117 S CA -0.465 57.346 58.200 -0.648 0.000 1.010 117 S CB 1.905 64.846 63.200 -0.432 0.000 0.965 117 S HN 0.361 nan 8.310 nan 0.000 0.534 118 S N 1.436 116.929 115.700 -0.344 0.000 2.521 118 S HA 0.545 5.015 4.470 -0.000 0.000 0.295 118 S C -0.956 173.610 174.600 -0.057 0.000 1.098 118 S CA -0.669 57.453 58.200 -0.130 0.000 0.999 118 S CB 0.844 64.085 63.200 0.069 0.000 1.034 118 S HN 0.641 nan 8.310 nan 0.000 0.483 119 L N 4.642 125.873 121.223 0.014 0.000 2.397 119 L HA 0.346 4.686 4.340 -0.000 0.000 0.271 119 L C -1.282 175.616 176.870 0.046 0.000 1.148 119 L CA -1.374 53.487 54.840 0.035 0.000 0.825 119 L CB -0.253 41.857 42.059 0.085 0.000 1.117 119 L HN 0.417 nan 8.230 nan 0.000 0.456 120 P HA -0.263 nan 4.420 nan 0.000 0.221 120 P C 0.924 178.248 177.300 0.040 0.000 1.107 120 P CA 1.672 64.788 63.100 0.027 0.000 0.986 120 P CB 0.170 31.881 31.700 0.019 0.000 0.774 121 S N -1.906 113.821 115.700 0.044 0.000 2.664 121 S HA 0.081 4.551 4.470 -0.000 0.000 0.245 121 S C 0.072 174.711 174.600 0.065 0.000 1.019 121 S CA -0.494 57.735 58.200 0.048 0.000 0.996 121 S CB -0.891 62.330 63.200 0.034 0.000 0.878 121 S HN 0.145 nan 8.310 nan 0.000 0.493 122 E N 2.574 122.828 120.200 0.090 0.000 3.691 122 E HA -0.200 4.150 4.350 -0.000 0.000 0.274 122 E C -0.346 176.327 176.600 0.122 0.000 0.807 122 E CA 0.535 57.016 56.400 0.134 0.000 0.979 122 E CB 0.219 30.048 29.700 0.215 0.000 0.904 122 E HN 0.373 nan 8.360 nan 0.000 0.568 123 D N 5.354 125.811 120.400 0.096 0.000 2.308 123 D HA 0.089 4.729 4.640 -0.000 0.000 0.251 123 D C -1.629 174.736 176.300 0.108 0.000 1.127 123 D CA -2.036 52.010 54.000 0.077 0.000 0.876 123 D CB 1.375 42.198 40.800 0.039 0.000 1.176 123 D HN 0.257 nan 8.370 nan 0.000 0.446 124 P HA -0.198 nan 4.420 nan 0.000 0.217 124 P C 1.363 178.716 177.300 0.088 0.000 1.158 124 P CA 1.517 64.672 63.100 0.093 0.000 0.887 124 P CB 0.143 31.879 31.700 0.060 0.000 0.792 125 S N -0.961 114.775 115.700 0.059 0.000 2.380 125 S HA -0.242 4.228 4.470 -0.000 0.000 0.229 125 S C 1.944 176.581 174.600 0.061 0.000 1.043 125 S CA 1.534 59.760 58.200 0.043 0.000 1.038 125 S CB -1.113 62.098 63.200 0.018 0.000 0.872 125 S HN 0.169 nan 8.310 nan 0.000 0.456 126 M N 0.082 119.721 119.600 0.065 0.000 2.143 126 M HA -0.176 4.304 4.480 -0.000 0.000 0.258 126 M C 2.059 178.531 176.300 0.287 0.000 1.071 126 M CA 1.403 56.734 55.300 0.052 0.000 1.088 126 M CB -0.465 32.082 32.600 -0.089 0.000 1.360 126 M HN 0.277 nan 8.290 nan 0.000 0.404 127 L N -0.867 120.535 121.223 0.298 0.000 2.049 127 L HA -0.125 4.215 4.340 -0.000 0.000 0.203 127 L C 2.280 179.207 176.870 0.096 0.000 1.074 127 L CA 1.093 56.043 54.840 0.182 0.000 0.749 127 L CB -0.493 41.576 42.059 0.018 0.000 0.907 127 L HN 0.054 nan 8.230 nan 0.000 0.439 128 V N -0.474 119.478 119.914 0.064 0.000 2.324 128 V HA -0.318 3.802 4.120 -0.000 0.000 0.250 128 V C 2.553 178.678 176.094 0.052 0.000 1.060 128 V CA 1.752 64.071 62.300 0.031 0.000 1.042 128 V CB -1.637 30.192 31.823 0.010 0.000 0.650 128 V HN 0.496 nan 8.190 nan 0.000 0.450 129 A N -0.031 122.830 122.820 0.068 0.000 2.119 129 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 129 A C 1.742 179.392 177.584 0.110 0.000 1.152 129 A CA 1.677 53.752 52.037 0.062 0.000 0.708 129 A CB -0.496 18.523 19.000 0.032 0.000 0.805 129 A HN 0.667 nan 8.150 nan 0.000 0.460 130 N N -2.555 116.254 118.700 0.182 0.000 2.160 130 N HA 0.146 4.886 4.740 -0.000 0.000 0.226 130 N C 0.915 176.546 175.510 0.203 0.000 1.256 130 N CA 0.082 53.292 53.050 0.268 0.000 0.890 130 N CB 0.019 38.777 38.487 0.452 0.000 1.116 130 N HN 0.615 nan 8.380 nan 0.000 0.517 131 H N 1.623 120.698 119.070 0.009 0.000 2.306 131 H HA -0.185 4.371 4.556 0.000 0.000 0.289 131 H C 1.616 176.905 175.328 -0.064 0.000 1.081 131 H CA 2.125 58.113 56.048 -0.100 0.000 1.163 131 H CB -0.009 29.661 29.762 -0.153 0.000 1.357 131 H HN -0.009 nan 8.280 nan 0.000 0.524 132 L N -0.398 120.935 121.223 0.184 0.000 2.079 132 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 132 L C 2.472 179.398 176.870 0.092 0.000 1.081 132 L CA 1.941 56.858 54.840 0.128 0.000 0.752 132 L CB -1.598 40.536 42.059 0.124 0.000 0.896 132 L HN 0.496 nan 8.230 nan 0.000 0.433 133 Y N 0.932 121.248 120.300 0.026 0.000 2.163 133 Y HA -0.175 4.375 4.550 0.000 0.000 0.288 133 Y C 2.566 178.483 175.900 0.029 0.000 1.136 133 Y CA 1.257 59.380 58.100 0.038 0.000 1.147 133 Y CB -0.325 38.174 38.460 0.064 0.000 0.987 133 Y HN 0.036 nan 8.280 nan 0.000 0.509 134 I N -0.414 120.034 120.570 -0.203 0.000 2.226 134 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 134 I C 2.385 178.366 176.117 -0.225 0.000 1.100 134 I CA 1.279 62.418 61.300 -0.268 0.000 1.374 134 I CB -0.626 37.293 38.000 -0.135 0.000 1.057 134 I HN 0.253 nan 8.210 nan 0.000 0.413 135 L N 1.106 122.211 121.223 -0.196 0.000 1.971 135 L HA -0.302 4.038 4.340 -0.000 0.000 0.215 135 L C 2.706 179.530 176.870 -0.077 0.000 1.072 135 L CA 2.084 56.853 54.840 -0.119 0.000 0.758 135 L CB -0.491 41.512 42.059 -0.093 0.000 0.889 135 L HN 0.176 nan 8.230 nan 0.000 0.433 136 K N -0.797 119.553 120.400 -0.083 0.000 2.032 136 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 136 K C 1.992 178.540 176.600 -0.088 0.000 1.048 136 K CA 1.472 57.728 56.287 -0.052 0.000 0.927 136 K CB 0.011 32.505 32.500 -0.011 0.000 0.712 136 K HN 0.066 nan 8.250 nan 0.000 0.441 137 K N 0.332 120.599 120.400 -0.222 0.000 2.365 137 K HA -0.046 4.274 4.320 -0.000 0.000 0.199 137 K C 2.069 178.605 176.600 -0.108 0.000 1.045 137 K CA 0.756 56.923 56.287 -0.201 0.000 0.962 137 K CB -0.420 31.854 32.500 -0.378 0.000 0.759 137 K HN 0.292 nan 8.250 nan 0.000 0.469 138 C N 0.450 119.696 119.300 -0.091 0.000 2.522 138 C HA 0.065 4.525 4.460 -0.000 0.000 0.280 138 C C 2.512 177.516 174.990 0.022 0.000 1.303 138 C CA -0.125 58.872 59.018 -0.034 0.000 1.709 138 C CB -0.584 27.138 27.740 -0.029 0.000 2.071 138 C HN 0.287 nan 8.230 nan 0.000 0.492 139 L N 1.514 122.770 121.223 0.054 0.000 2.013 139 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 139 L C 2.112 179.066 176.870 0.139 0.000 1.073 139 L CA 2.065 56.992 54.840 0.145 0.000 0.753 139 L CB -1.662 40.460 42.059 0.105 0.000 0.890 139 L HN 0.340 nan 8.230 nan 0.000 0.432 140 D N -0.775 119.664 120.400 0.065 0.000 2.104 140 D HA -0.198 4.442 4.640 -0.000 0.000 0.194 140 D C 2.195 178.529 176.300 0.056 0.000 0.994 140 D CA 0.941 54.976 54.000 0.058 0.000 0.830 140 D CB -0.243 40.574 40.800 0.028 0.000 0.959 140 D HN 0.149 nan 8.370 nan 0.000 0.452 141 L N 0.418 121.657 121.223 0.026 0.000 1.976 141 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 141 L C 2.023 178.886 176.870 -0.012 0.000 1.071 141 L CA 1.454 56.296 54.840 0.004 0.000 0.746 141 L CB -0.983 41.066 42.059 -0.017 0.000 0.890 141 L HN -0.028 nan 8.230 nan 0.000 0.432 142 L N 0.210 121.402 121.223 -0.052 0.000 1.997 142 L HA -0.259 4.081 4.340 -0.000 0.000 0.216 142 L C 2.664 179.508 176.870 -0.043 0.000 1.074 142 L CA 2.281 56.996 54.840 -0.208 0.000 0.763 142 L CB -1.534 40.249 42.059 -0.459 0.000 0.890 142 L HN 0.458 nan 8.230 nan 0.000 0.434 143 K N -0.797 119.768 120.400 0.276 0.000 2.044 143 K HA -0.184 4.136 4.320 -0.000 0.000 0.210 143 K C 1.960 178.658 176.600 0.164 0.000 1.049 143 K CA 2.292 58.791 56.287 0.354 0.000 0.927 143 K CB -0.782 31.869 32.500 0.251 0.000 0.713 143 K HN 0.285 nan 8.250 nan 0.000 0.443 144 T N 1.187 115.795 114.554 0.091 0.000 2.622 144 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 144 T C 1.363 176.086 174.700 0.038 0.000 1.047 144 T CA 1.577 63.708 62.100 0.053 0.000 1.159 144 T CB -0.285 68.603 68.868 0.033 0.000 0.863 144 T HN 0.301 nan 8.240 nan 0.000 0.422 145 E N 0.207 120.413 120.200 0.010 0.000 2.516 145 E HA 0.022 4.372 4.350 -0.000 0.000 0.199 145 E C 1.012 177.603 176.600 -0.015 0.000 1.069 145 E CA 0.451 56.843 56.400 -0.014 0.000 0.876 145 E CB 0.129 29.804 29.700 -0.042 0.000 0.843 145 E HN 0.306 nan 8.360 nan 0.000 0.530 146 L N -1.772 119.461 121.223 0.017 0.000 3.327 146 L HA 0.433 4.773 4.340 -0.000 0.000 0.168 146 L C 1.100 178.027 176.870 0.096 0.000 1.196 146 L CA 1.060 55.932 54.840 0.053 0.000 0.848 146 L CB -0.607 41.495 42.059 0.072 0.000 1.459 146 L HN 0.048 nan 8.230 nan 0.000 0.574 147 G N 0.000 108.897 108.800 0.161 0.000 5.446 147 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 147 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 147 G CA 0.000 45.172 45.100 0.119 0.000 0.502 147 G HN 0.000 nan 8.290 nan 0.000 0.925