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 3a7n_1_A DATA FIRST_RESID -5 DATA SEQUENCE HHGMASMTAR PLSELVERGW AAALEPVADQ VAHMGQFLRA EIAAGRRYLP DATA SEQUENCE AGSNVLRAFT FPFDNVRVLI VGQDPYPTPG HAVGLSFSVA PDVRPWPRSL DATA SEQUENCE ANIFDEYTAD LGYPLPSNGD LTPWAQRGVL LLNRVLTVRP SNPASHRGKG DATA SEQUENCE WEAVTECAIR ALAARAAPLV AILWGRDAST LKPMLAAGNC VAIESPHPSP DATA SEQUENCE LSASRGFFGS RPFSRANELL VGMGAEPIDW RLP 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 -5 H HA 0.000 nan 4.556 nan 0.000 0.296 -5 H C 0.000 175.125 175.328 -0.339 0.000 0.993 -5 H CA 0.000 55.975 56.048 -0.122 0.000 1.023 -5 H CB 0.000 29.730 29.762 -0.052 0.000 1.292 -4 H N 2.284 121.014 119.070 -0.566 0.000 2.600 -4 H HA 0.743 5.276 4.556 -0.038 0.000 0.357 -4 H C 0.465 175.555 175.328 -0.396 0.000 1.106 -4 H CA 0.100 55.956 56.048 -0.320 0.000 1.193 -4 H CB 2.231 31.899 29.762 -0.158 0.000 1.594 -4 H HN 0.957 nan 8.280 nan 0.000 0.526 -3 G N 0.648 109.443 108.800 -0.008 0.000 2.498 -3 G HA2 -0.011 3.926 3.960 -0.038 0.000 0.181 -3 G HA3 -0.011 3.926 3.960 -0.038 0.000 0.181 -3 G C 0.714 175.714 174.900 0.166 0.000 1.169 -3 G CA -0.186 44.976 45.100 0.104 0.000 0.992 -3 G HN 0.638 nan 8.290 nan 0.000 0.490 -2 M N 0.101 119.834 119.600 0.222 0.000 2.279 -2 M HA 0.238 4.696 4.480 -0.038 0.000 0.264 -2 M C 2.262 178.627 176.300 0.109 0.000 1.062 -2 M CA 2.575 57.973 55.300 0.162 0.000 1.099 -2 M CB -0.522 32.172 32.600 0.156 0.000 1.394 -2 M HN 0.665 nan 8.290 nan 0.000 0.426 -1 A N 0.823 123.713 122.820 0.115 0.000 1.902 -1 A HA -0.086 4.212 4.320 -0.038 0.000 0.217 -1 A C 2.326 179.949 177.584 0.064 0.000 1.181 -1 A CA 2.129 54.213 52.037 0.079 0.000 0.623 -1 A CB -0.908 18.142 19.000 0.083 0.000 0.818 -1 A HN 0.612 nan 8.150 nan 0.000 0.443 0 S N -0.642 115.102 115.700 0.073 0.000 2.383 0 S HA -0.107 4.340 4.470 -0.038 0.000 0.227 0 S C 1.986 176.631 174.600 0.076 0.000 1.026 0 S CA 1.560 59.802 58.200 0.070 0.000 0.981 0 S CB -0.368 62.887 63.200 0.091 0.000 0.818 0 S HN 0.561 nan 8.310 nan 0.000 0.472 1 M N 1.152 120.806 119.600 0.091 0.000 2.202 1 M HA -0.132 4.326 4.480 -0.038 0.000 0.262 1 M C 2.432 178.766 176.300 0.056 0.000 1.063 1 M CA 1.685 57.040 55.300 0.091 0.000 1.097 1 M CB -0.717 31.957 32.600 0.123 0.000 1.382 1 M HN 0.532 nan 8.290 nan 0.000 0.413 2 T N -2.757 111.822 114.554 0.042 0.000 2.937 2 T HA 0.165 4.493 4.350 -0.038 0.000 0.260 2 T C 1.659 176.373 174.700 0.024 0.000 1.051 2 T CA 0.849 62.963 62.100 0.023 0.000 1.141 2 T CB -0.117 68.759 68.868 0.013 0.000 0.879 2 T HN 0.337 nan 8.240 nan 0.000 0.459 3 A N 1.225 124.063 122.820 0.030 0.000 2.035 3 A HA 0.407 4.705 4.320 -0.038 0.000 0.208 3 A C 1.351 178.951 177.584 0.027 0.000 1.206 3 A CA -0.382 51.669 52.037 0.025 0.000 0.773 3 A CB 0.130 19.143 19.000 0.023 0.000 0.878 3 A HN 0.414 nan 8.150 nan 0.000 0.469 4 R N 0.853 121.374 120.500 0.036 0.000 2.486 4 R HA 0.419 4.736 4.340 -0.038 0.000 0.286 4 R C -2.631 173.690 176.300 0.036 0.000 0.999 4 R CA -2.029 54.093 56.100 0.037 0.000 0.993 4 R CB 0.466 30.796 30.300 0.049 0.000 1.084 4 R HN 0.204 nan 8.270 nan 0.000 0.487 5 P HA 0.007 nan 4.420 nan 0.000 0.272 5 P C 0.687 178.006 177.300 0.032 0.000 1.230 5 P CA -0.149 62.967 63.100 0.026 0.000 0.788 5 P CB 0.751 32.462 31.700 0.020 0.000 0.949 6 L N 1.223 122.462 121.223 0.026 0.000 2.081 6 L HA -0.237 4.080 4.340 -0.038 0.000 0.212 6 L C 2.569 179.461 176.870 0.035 0.000 1.080 6 L CA 2.305 57.162 54.840 0.029 0.000 0.754 6 L CB -0.945 41.120 42.059 0.010 0.000 0.893 6 L HN 0.486 nan 8.230 nan 0.000 0.433 7 S N -0.931 114.786 115.700 0.028 0.000 2.440 7 S HA -0.210 4.237 4.470 -0.038 0.000 0.238 7 S C 1.475 176.097 174.600 0.037 0.000 1.010 7 S CA 1.223 59.442 58.200 0.031 0.000 0.972 7 S CB -0.308 62.905 63.200 0.022 0.000 0.774 7 S HN 0.550 nan 8.310 nan 0.000 0.501 8 E N 0.102 120.326 120.200 0.041 0.000 2.481 8 E HA 0.317 4.645 4.350 -0.038 0.000 0.198 8 E C 1.275 177.908 176.600 0.055 0.000 1.027 8 E CA -0.000 56.428 56.400 0.048 0.000 0.900 8 E CB 0.160 29.892 29.700 0.053 0.000 0.993 8 E HN 0.523 nan 8.360 nan 0.000 0.482 9 L N -0.225 121.030 121.223 0.054 0.000 2.547 9 L HA 0.192 4.510 4.340 -0.038 0.000 0.218 9 L C 0.747 177.646 176.870 0.049 0.000 1.048 9 L CA -0.026 54.850 54.840 0.059 0.000 0.859 9 L CB 0.562 42.667 42.059 0.076 0.000 1.128 9 L HN -0.036 nan 8.230 nan 0.000 0.483 10 V N -2.436 117.517 119.914 0.066 0.000 3.126 10 V HA 0.542 4.639 4.120 -0.038 0.000 0.314 10 V C -0.618 175.545 176.094 0.115 0.000 1.138 10 V CA -1.049 61.310 62.300 0.098 0.000 1.034 10 V CB 1.763 33.672 31.823 0.144 0.000 1.075 10 V HN 0.289 nan 8.190 nan 0.000 0.442 11 E N 1.257 121.564 120.200 0.178 0.000 2.409 11 E HA 0.253 4.580 4.350 -0.038 0.000 0.257 11 E C 1.141 177.847 176.600 0.176 0.000 1.150 11 E CA 0.203 56.706 56.400 0.172 0.000 0.942 11 E CB 0.585 30.409 29.700 0.206 0.000 0.979 11 E HN 0.732 nan 8.360 nan 0.000 0.447 12 R N 1.727 122.293 120.500 0.111 0.000 2.094 12 R HA -0.183 4.135 4.340 -0.038 0.000 0.239 12 R C 2.048 178.371 176.300 0.038 0.000 1.137 12 R CA 2.194 58.333 56.100 0.065 0.000 0.943 12 R CB -1.087 29.241 30.300 0.047 0.000 0.850 12 R HN 0.790 nan 8.270 nan 0.000 0.433 13 G N -0.357 108.473 108.800 0.049 0.000 2.440 13 G HA2 -0.279 3.658 3.960 -0.038 0.000 0.218 13 G HA3 -0.279 3.658 3.960 -0.038 0.000 0.218 13 G C 1.090 175.811 174.900 -0.298 0.000 1.154 13 G CA 0.792 45.864 45.100 -0.045 0.000 0.767 13 G HN 0.518 nan 8.290 nan 0.000 0.552 14 W N 0.890 122.136 121.300 -0.089 0.000 2.402 14 W HA 0.166 4.805 4.660 -0.036 0.000 0.286 14 W C 3.004 179.371 176.519 -0.254 0.000 1.221 14 W CA 0.731 57.950 57.345 -0.210 0.000 1.257 14 W CB 0.084 29.568 29.460 0.040 0.000 1.120 14 W HN 0.275 nan 8.180 nan 0.000 0.551 15 A N 0.327 123.193 122.820 0.077 0.000 1.902 15 A HA -0.119 4.178 4.320 -0.038 0.000 0.217 15 A C 2.020 179.566 177.584 -0.063 0.000 1.181 15 A CA 2.259 54.302 52.037 0.009 0.000 0.623 15 A CB -1.201 17.814 19.000 0.025 0.000 0.818 15 A HN 0.204 nan 8.150 nan 0.000 0.443 16 A N -0.278 122.473 122.820 -0.114 0.000 1.897 16 A HA 0.246 4.543 4.320 -0.038 0.000 0.215 16 A C 2.499 179.953 177.584 -0.216 0.000 1.181 16 A CA 1.859 53.810 52.037 -0.143 0.000 0.620 16 A CB -0.992 17.926 19.000 -0.137 0.000 0.821 16 A HN 1.034 nan 8.150 nan 0.000 0.443 17 A N -0.461 122.114 122.820 -0.408 0.000 1.933 17 A HA 0.041 4.339 4.320 -0.038 0.000 0.218 17 A C 1.881 179.335 177.584 -0.217 0.000 1.175 17 A CA 1.388 53.126 52.037 -0.498 0.000 0.628 17 A CB -0.457 17.789 19.000 -1.256 0.000 0.814 17 A HN 0.453 nan 8.150 nan 0.000 0.444 18 L N -0.803 120.334 121.223 -0.144 0.000 2.628 18 L HA 0.090 4.407 4.340 -0.038 0.000 0.229 18 L C 1.971 178.794 176.870 -0.078 0.000 1.137 18 L CA 0.217 54.995 54.840 -0.102 0.000 0.909 18 L CB -0.163 41.796 42.059 -0.167 0.000 1.137 18 L HN 0.529 nan 8.230 nan 0.000 0.470 19 E N 1.502 121.657 120.200 -0.075 0.000 2.097 19 E HA -0.232 4.095 4.350 -0.038 0.000 0.196 19 E C -0.590 175.986 176.600 -0.040 0.000 1.000 19 E CA 1.467 57.837 56.400 -0.052 0.000 0.804 19 E CB -0.391 29.278 29.700 -0.051 0.000 0.740 19 E HN 0.359 nan 8.360 nan 0.000 0.454 20 P HA -0.143 nan 4.420 nan 0.000 0.218 20 P C 1.031 178.315 177.300 -0.027 0.000 1.148 20 P CA 1.333 64.415 63.100 -0.029 0.000 0.822 20 P CB -0.025 31.660 31.700 -0.024 0.000 0.784 21 V N -4.778 115.119 119.914 -0.028 0.000 3.249 21 V HA 0.480 4.578 4.120 -0.038 0.000 0.338 21 V C 1.765 177.849 176.094 -0.017 0.000 1.363 21 V CA 0.359 62.646 62.300 -0.022 0.000 1.205 21 V CB -1.042 30.775 31.823 -0.009 0.000 1.164 21 V HN -0.049 nan 8.190 nan 0.000 0.458 22 A N 2.362 125.170 122.820 -0.020 0.000 1.908 22 A HA -0.220 4.077 4.320 -0.038 0.000 0.218 22 A C 2.034 179.616 177.584 -0.004 0.000 1.181 22 A CA 2.105 54.136 52.037 -0.009 0.000 0.627 22 A CB -0.630 18.364 19.000 -0.011 0.000 0.818 22 A HN 0.764 nan 8.150 nan 0.000 0.445 23 D N -0.697 119.695 120.400 -0.013 0.000 2.144 23 D HA -0.218 4.400 4.640 -0.038 0.000 0.199 23 D C 1.837 178.131 176.300 -0.009 0.000 0.984 23 D CA 1.697 55.689 54.000 -0.014 0.000 0.834 23 D CB -0.697 40.086 40.800 -0.029 0.000 0.955 23 D HN 0.454 nan 8.370 nan 0.000 0.465 24 Q N 0.541 120.325 119.800 -0.025 0.000 2.123 24 Q HA -0.007 4.310 4.340 -0.038 0.000 0.199 24 Q C 2.170 178.147 176.000 -0.039 0.000 0.966 24 Q CA 0.884 56.666 55.803 -0.036 0.000 0.845 24 Q CB -0.248 28.457 28.738 -0.055 0.000 0.907 24 Q HN 0.194 nan 8.270 nan 0.000 0.439 25 V N 0.611 120.519 119.914 -0.010 0.000 2.343 25 V HA -0.275 3.823 4.120 -0.038 0.000 0.247 25 V C 2.246 178.335 176.094 -0.008 0.000 1.051 25 V CA 1.765 64.073 62.300 0.014 0.000 1.036 25 V CB -1.223 30.650 31.823 0.084 0.000 0.654 25 V HN 0.510 nan 8.190 nan 0.000 0.451 26 A N -0.444 122.383 122.820 0.011 0.000 1.908 26 A HA -0.323 3.975 4.320 -0.038 0.000 0.218 26 A C 2.107 179.692 177.584 0.000 0.000 1.181 26 A CA 2.396 54.441 52.037 0.013 0.000 0.627 26 A CB -0.893 18.120 19.000 0.022 0.000 0.818 26 A HN 0.748 nan 8.150 nan 0.000 0.445 27 H N -1.155 117.857 119.070 -0.098 0.000 2.387 27 H HA -0.086 4.447 4.556 -0.039 0.000 0.299 27 H C 1.891 177.120 175.328 -0.165 0.000 1.090 27 H CA 2.089 58.065 56.048 -0.119 0.000 1.332 27 H CB -0.086 29.594 29.762 -0.137 0.000 1.386 27 H HN 0.304 nan 8.280 nan 0.000 0.516 28 M N -0.404 119.025 119.600 -0.284 0.000 2.175 28 M HA 0.027 4.484 4.480 -0.038 0.000 0.264 28 M C 2.628 178.785 176.300 -0.240 0.000 1.063 28 M CA 1.243 56.250 55.300 -0.489 0.000 1.119 28 M CB -1.401 30.541 32.600 -1.097 0.000 1.377 28 M HN 0.485 nan 8.290 nan 0.000 0.415 29 G N -0.476 108.246 108.800 -0.129 0.000 2.446 29 G HA2 -0.273 3.664 3.960 -0.038 0.000 0.217 29 G HA3 -0.273 3.664 3.960 -0.038 0.000 0.217 29 G C 1.550 176.397 174.900 -0.087 0.000 1.168 29 G CA 0.859 45.928 45.100 -0.051 0.000 0.771 29 G HN 0.367 nan 8.290 nan 0.000 0.551 30 Q N -0.470 119.256 119.800 -0.123 0.000 2.061 30 Q HA -0.090 4.227 4.340 -0.038 0.000 0.204 30 Q C 2.089 177.988 176.000 -0.168 0.000 0.984 30 Q CA 1.560 57.279 55.803 -0.141 0.000 0.846 30 Q CB -0.550 28.084 28.738 -0.174 0.000 0.902 30 Q HN 0.583 nan 8.270 nan 0.000 0.421 31 F N -0.111 119.610 119.950 -0.381 0.000 2.095 31 F HA -0.213 4.291 4.527 -0.038 0.000 0.298 31 F C 1.494 177.144 175.800 -0.251 0.000 1.104 31 F CA 1.286 59.068 58.000 -0.363 0.000 1.232 31 F CB -0.063 38.650 39.000 -0.478 0.000 0.987 31 F HN 0.040 nan 8.300 nan 0.000 0.475 32 L N 0.025 120.995 121.223 -0.422 0.000 2.093 32 L HA -0.165 4.152 4.340 -0.038 0.000 0.208 32 L C 2.617 179.343 176.870 -0.240 0.000 1.085 32 L CA 1.260 55.833 54.840 -0.445 0.000 0.755 32 L CB -0.697 41.141 42.059 -0.368 0.000 0.904 32 L HN 0.066 nan 8.230 nan 0.000 0.435 33 R N 0.055 120.461 120.500 -0.156 0.000 2.091 33 R HA -0.165 4.152 4.340 -0.038 0.000 0.238 33 R C 2.458 178.685 176.300 -0.122 0.000 1.136 33 R CA 1.487 57.534 56.100 -0.087 0.000 0.959 33 R CB -0.500 29.765 30.300 -0.059 0.000 0.856 33 R HN 0.372 nan 8.270 nan 0.000 0.437 34 A N 1.012 123.715 122.820 -0.195 0.000 1.930 34 A HA -0.154 4.143 4.320 -0.038 0.000 0.217 34 A C 1.865 179.321 177.584 -0.213 0.000 1.175 34 A CA 1.212 53.139 52.037 -0.184 0.000 0.627 34 A CB -0.222 18.671 19.000 -0.179 0.000 0.815 34 A HN 0.170 nan 8.150 nan 0.000 0.443 35 E N 0.143 120.130 120.200 -0.356 0.000 2.051 35 E HA -0.165 4.163 4.350 -0.038 0.000 0.192 35 E C 2.054 178.604 176.600 -0.084 0.000 0.991 35 E CA 1.095 57.338 56.400 -0.262 0.000 0.799 35 E CB -0.422 29.064 29.700 -0.357 0.000 0.748 35 E HN 0.552 nan 8.360 nan 0.000 0.449 36 I N 1.172 121.717 120.570 -0.041 0.000 2.226 36 I HA -0.212 3.936 4.170 -0.038 0.000 0.245 36 I C 2.442 178.550 176.117 -0.015 0.000 1.100 36 I CA 1.082 62.386 61.300 0.008 0.000 1.374 36 I CB -1.517 36.509 38.000 0.044 0.000 1.057 36 I HN -0.051 nan 8.210 nan 0.000 0.413 37 A N 0.841 123.640 122.820 -0.035 0.000 1.978 37 A HA -0.070 4.228 4.320 -0.038 0.000 0.220 37 A C 2.319 179.888 177.584 -0.026 0.000 1.170 37 A CA 1.755 53.774 52.037 -0.030 0.000 0.636 37 A CB -0.621 18.356 19.000 -0.038 0.000 0.810 37 A HN 0.422 nan 8.150 nan 0.000 0.448 38 A N -1.724 121.076 122.820 -0.033 0.000 2.259 38 A HA 0.425 4.722 4.320 -0.038 0.000 0.208 38 A C 1.649 179.227 177.584 -0.009 0.000 1.201 38 A CA 1.078 53.103 52.037 -0.021 0.000 0.824 38 A CB -1.040 17.944 19.000 -0.026 0.000 0.838 38 A HN 1.906 nan 8.150 nan 0.000 0.485 39 G N -0.606 108.190 108.800 -0.007 0.000 2.137 39 G HA2 -0.240 3.698 3.960 -0.038 0.000 0.237 39 G HA3 -0.240 3.698 3.960 -0.038 0.000 0.237 39 G C 0.164 175.069 174.900 0.009 0.000 1.002 39 G CA 0.299 45.399 45.100 -0.000 0.000 0.702 39 G HN 0.644 nan 8.290 nan 0.000 0.515 40 R N -0.628 119.882 120.500 0.016 0.000 2.720 40 R HA 0.754 5.072 4.340 -0.038 0.000 0.272 40 R C 0.559 176.894 176.300 0.058 0.000 0.991 40 R CA -0.828 55.295 56.100 0.039 0.000 1.010 40 R CB 1.294 31.628 30.300 0.056 0.000 1.141 40 R HN 0.229 nan 8.270 nan 0.000 0.494 41 R N 0.618 121.156 120.500 0.063 0.000 2.782 41 R HA 0.411 4.729 4.340 -0.038 0.000 0.258 41 R C -1.069 175.323 176.300 0.154 0.000 1.055 41 R CA -0.776 55.356 56.100 0.054 0.000 1.065 41 R CB 1.375 31.663 30.300 -0.019 0.000 1.172 41 R HN 0.585 nan 8.270 nan 0.000 0.510 42 Y N -1.247 119.085 120.300 0.054 0.000 2.581 42 Y HA 0.656 5.182 4.550 -0.040 0.000 0.345 42 Y C -1.815 174.111 175.900 0.043 0.000 1.036 42 Y CA -1.465 56.674 58.100 0.064 0.000 1.042 42 Y CB 1.056 39.639 38.460 0.205 0.000 1.289 42 Y HN 0.174 nan 8.280 nan 0.000 0.471 43 L N 4.011 125.336 121.223 0.169 0.000 2.354 43 L HA 0.707 5.025 4.340 -0.038 0.000 0.269 43 L C -2.301 174.687 176.870 0.197 0.000 1.005 43 L CA -2.585 52.304 54.840 0.081 0.000 0.819 43 L CB 1.978 44.057 42.059 0.033 0.000 1.311 43 L HN 0.619 nan 8.230 nan 0.000 0.423 44 P HA 0.247 nan 4.420 nan 0.000 0.312 44 P C -0.910 176.405 177.300 0.026 0.000 1.308 44 P CA -0.578 62.559 63.100 0.060 0.000 0.743 44 P CB 0.455 32.181 31.700 0.043 0.000 1.364 45 A N -0.429 122.389 122.820 -0.002 0.000 2.555 45 A HA 0.266 4.564 4.320 -0.038 0.000 0.233 45 A C 1.907 179.536 177.584 0.075 0.000 1.060 45 A CA 0.590 52.617 52.037 -0.016 0.000 0.759 45 A CB -1.282 17.723 19.000 0.008 0.000 0.995 45 A HN 0.650 nan 8.150 nan 0.000 0.506 46 G N 0.860 109.722 108.800 0.104 0.000 2.469 46 G HA2 -0.276 3.661 3.960 -0.038 0.000 0.219 46 G HA3 -0.276 3.661 3.960 -0.038 0.000 0.219 46 G C 1.734 176.710 174.900 0.127 0.000 1.150 46 G CA 1.595 46.843 45.100 0.246 0.000 0.763 46 G HN 1.421 nan 8.290 nan 0.000 0.561 47 S N 0.300 116.019 115.700 0.030 0.000 2.507 47 S HA -0.003 4.445 4.470 -0.038 0.000 0.235 47 S C 1.773 176.371 174.600 -0.005 0.000 0.988 47 S CA 1.102 59.300 58.200 -0.003 0.000 0.944 47 S CB -0.086 63.088 63.200 -0.044 0.000 0.762 47 S HN 0.314 nan 8.310 nan 0.000 0.526 48 N N 0.682 119.393 118.700 0.018 0.000 2.254 48 N HA 0.239 4.956 4.740 -0.038 0.000 0.190 48 N C 1.390 176.888 175.510 -0.020 0.000 1.107 48 N CA 0.311 53.360 53.050 -0.003 0.000 0.869 48 N CB 0.139 38.630 38.487 0.007 0.000 0.983 48 N HN 0.256 nan 8.380 nan 0.000 0.487 49 V N 1.096 121.023 119.914 0.022 0.000 2.282 49 V HA -0.161 3.936 4.120 -0.038 0.000 0.249 49 V C 1.671 177.685 176.094 -0.132 0.000 1.057 49 V CA 1.435 63.712 62.300 -0.039 0.000 1.032 49 V CB -0.316 31.547 31.823 0.066 0.000 0.645 49 V HN 0.269 nan 8.190 nan 0.000 0.447 50 L N -0.468 120.729 121.223 -0.043 0.000 2.791 50 L HA 0.235 4.552 4.340 -0.038 0.000 0.239 50 L C 2.151 178.945 176.870 -0.126 0.000 1.203 50 L CA 0.053 54.888 54.840 -0.009 0.000 1.002 50 L CB -0.371 41.785 42.059 0.163 0.000 1.295 50 L HN 0.189 nan 8.230 nan 0.000 0.504 51 R N 1.244 121.646 120.500 -0.162 0.000 2.120 51 R HA -0.164 4.153 4.340 -0.038 0.000 0.234 51 R C 2.273 178.500 176.300 -0.121 0.000 1.123 51 R CA 1.468 57.493 56.100 -0.126 0.000 0.975 51 R CB -0.025 30.248 30.300 -0.044 0.000 0.866 51 R HN 0.412 nan 8.270 nan 0.000 0.446 52 A N -0.046 122.571 122.820 -0.338 0.000 2.070 52 A HA -0.113 4.185 4.320 -0.038 0.000 0.220 52 A C 1.370 178.680 177.584 -0.457 0.000 1.159 52 A CA 0.957 52.770 52.037 -0.373 0.000 0.656 52 A CB -0.457 18.132 19.000 -0.685 0.000 0.800 52 A HN 0.429 nan 8.150 nan 0.000 0.453 53 F N -0.023 119.709 119.950 -0.364 0.000 2.660 53 F HA 0.090 4.594 4.527 -0.038 0.000 0.302 53 F C 1.876 177.529 175.800 -0.245 0.000 1.103 53 F CA 0.539 58.081 58.000 -0.764 0.000 1.340 53 F CB 0.117 38.644 39.000 -0.789 0.000 1.048 53 F HN 0.228 nan 8.300 nan 0.000 0.551 54 T N -2.936 111.558 114.554 -0.101 0.000 3.122 54 T HA 0.238 4.566 4.350 -0.038 0.000 0.250 54 T C -0.009 174.429 174.700 -0.436 0.000 1.067 54 T CA -0.018 61.922 62.100 -0.267 0.000 0.966 54 T CB -0.655 67.945 68.868 -0.447 0.000 1.002 54 T HN -0.039 nan 8.240 nan 0.000 0.542 55 F N 1.167 121.257 119.950 0.233 0.000 2.522 55 F HA 0.560 5.064 4.527 -0.038 0.000 0.324 55 F C -2.646 173.398 175.800 0.406 0.000 1.077 55 F CA -3.357 54.794 58.000 0.252 0.000 0.944 55 F CB 1.083 40.197 39.000 0.190 0.000 1.175 55 F HN -0.237 nan 8.300 nan 0.000 0.468 56 P HA -0.091 nan 4.420 nan 0.000 0.258 56 P C 0.636 178.076 177.300 0.233 0.000 1.187 56 P CA 0.473 63.748 63.100 0.290 0.000 0.767 56 P CB 0.007 31.810 31.700 0.172 0.000 0.770 57 F N 4.502 124.358 119.950 -0.155 0.000 2.120 57 F HA -0.255 4.249 4.527 -0.039 0.000 0.300 57 F C 1.494 177.103 175.800 -0.318 0.000 1.095 57 F CA 1.879 59.484 58.000 -0.658 0.000 1.249 57 F CB -0.240 38.073 39.000 -1.144 0.000 0.995 57 F HN 0.228 nan 8.300 nan 0.000 0.480 58 D N -0.349 119.934 120.400 -0.195 0.000 2.310 58 D HA -0.181 4.437 4.640 -0.038 0.000 0.212 58 D C 1.706 177.890 176.300 -0.194 0.000 0.965 58 D CA 0.978 54.847 54.000 -0.218 0.000 0.879 58 D CB -0.580 40.187 40.800 -0.054 0.000 0.921 58 D HN 0.496 nan 8.370 nan 0.000 0.510 59 N N 0.137 118.765 118.700 -0.121 0.000 2.236 59 N HA -0.015 4.703 4.740 -0.038 0.000 0.196 59 N C -0.304 175.154 175.510 -0.087 0.000 1.114 59 N CA -0.065 52.940 53.050 -0.076 0.000 0.859 59 N CB 1.027 39.510 38.487 -0.006 0.000 0.982 59 N HN -0.142 nan 8.380 nan 0.000 0.493 60 V N 2.135 121.973 119.914 -0.127 0.000 2.485 60 V HA 0.051 4.148 4.120 -0.038 0.000 0.287 60 V C 1.138 177.162 176.094 -0.117 0.000 1.022 60 V CA 0.561 62.816 62.300 -0.076 0.000 1.067 60 V CB 0.961 32.769 31.823 -0.025 0.000 0.967 60 V HN 0.275 nan 8.190 nan 0.000 0.479 61 R N 2.939 123.390 120.500 -0.082 0.000 2.513 61 R HA 0.328 4.646 4.340 -0.038 0.000 0.245 61 R C -0.626 175.642 176.300 -0.054 0.000 0.908 61 R CA 0.027 56.077 56.100 -0.084 0.000 1.023 61 R CB 1.234 31.475 30.300 -0.098 0.000 1.338 61 R HN 0.518 nan 8.270 nan 0.000 0.575 62 V N 2.229 122.120 119.914 -0.039 0.000 2.588 62 V HA 0.330 4.427 4.120 -0.038 0.000 0.304 62 V C -1.177 174.935 176.094 0.029 0.000 1.042 62 V CA -1.001 61.299 62.300 0.000 0.000 0.877 62 V CB 2.289 34.131 31.823 0.031 0.000 0.996 62 V HN -0.001 nan 8.190 nan 0.000 0.425 63 L N 6.367 127.601 121.223 0.018 0.000 2.287 63 L HA 0.678 4.995 4.340 -0.038 0.000 0.287 63 L C -0.722 176.119 176.870 -0.049 0.000 1.022 63 L CA 0.211 55.067 54.840 0.026 0.000 0.814 63 L CB 1.037 43.121 42.059 0.041 0.000 1.217 63 L HN 0.570 nan 8.230 nan 0.000 0.420 64 I N 6.307 126.860 120.570 -0.029 0.000 2.382 64 I HA 0.324 4.472 4.170 -0.038 0.000 0.285 64 I C -0.638 175.475 176.117 -0.006 0.000 1.007 64 I CA -0.792 60.424 61.300 -0.139 0.000 1.142 64 I CB 1.842 39.784 38.000 -0.098 0.000 1.289 64 I HN 0.394 nan 8.210 nan 0.000 0.453 65 V N 6.658 126.551 119.914 -0.035 0.000 2.439 65 V HA 0.822 4.919 4.120 -0.038 0.000 0.282 65 V C 0.331 176.537 176.094 0.186 0.000 1.039 65 V CA 0.119 62.453 62.300 0.057 0.000 0.913 65 V CB 1.348 33.192 31.823 0.035 0.000 0.983 65 V HN 0.804 nan 8.190 nan 0.000 0.460 66 G N 4.162 112.994 108.800 0.054 0.000 2.597 66 G HA2 0.510 4.447 3.960 -0.038 0.000 0.317 66 G HA3 0.510 4.447 3.960 -0.038 0.000 0.317 66 G C -0.390 174.470 174.900 -0.068 0.000 1.230 66 G CA -0.339 44.701 45.100 -0.100 0.000 0.996 66 G HN 0.660 nan 8.290 nan 0.000 0.490 67 Q N -0.686 119.067 119.800 -0.079 0.000 2.063 67 Q HA 0.189 4.507 4.340 -0.038 0.000 0.194 67 Q C 0.427 176.370 176.000 -0.094 0.000 0.974 67 Q CA 1.288 57.063 55.803 -0.046 0.000 0.827 67 Q CB 0.271 28.994 28.738 -0.025 0.000 0.902 67 Q HN 0.758 nan 8.270 nan 0.000 0.462 68 D N -1.796 118.512 120.400 -0.152 0.000 2.626 68 D HA 0.334 4.952 4.640 -0.038 0.000 0.278 68 D C -2.774 173.386 176.300 -0.235 0.000 1.211 68 D CA -1.996 51.911 54.000 -0.155 0.000 0.903 68 D CB 0.903 41.661 40.800 -0.070 0.000 1.408 68 D HN -0.230 nan 8.370 nan 0.000 0.454 69 P HA 0.136 nan 4.420 nan 0.000 0.272 69 P C -0.505 176.708 177.300 -0.144 0.000 1.223 69 P CA -0.079 62.893 63.100 -0.212 0.000 0.784 69 P CB -0.012 31.625 31.700 -0.105 0.000 0.923 70 Y N 2.278 122.548 120.300 -0.050 0.000 2.895 70 Y HA -0.053 4.473 4.550 -0.040 0.000 0.334 70 Y C -0.731 175.166 175.900 -0.005 0.000 1.261 70 Y CA -0.683 57.420 58.100 0.006 0.000 1.560 70 Y CB -0.784 37.733 38.460 0.094 0.000 1.253 70 Y HN 0.441 nan 8.280 nan 0.000 0.582 71 P HA -0.037 nan 4.420 nan 0.000 0.236 71 P C -0.007 177.297 177.300 0.006 0.000 1.177 71 P CA 0.531 63.662 63.100 0.051 0.000 0.773 71 P CB 0.255 31.974 31.700 0.033 0.000 0.878 72 T N 3.701 118.241 114.554 -0.024 0.000 2.752 72 T HA 0.238 4.566 4.350 -0.038 0.000 0.295 72 T C -2.420 172.182 174.700 -0.162 0.000 0.923 72 T CA -0.911 61.067 62.100 -0.203 0.000 1.112 72 T CB 0.092 68.605 68.868 -0.592 0.000 0.884 72 T HN 0.022 nan 8.240 nan 0.000 0.525 73 P HA 0.222 nan 4.420 nan 0.000 0.264 73 P C 1.069 178.336 177.300 -0.056 0.000 1.193 73 P CA 0.704 63.766 63.100 -0.064 0.000 0.763 73 P CB 0.399 32.064 31.700 -0.060 0.000 0.810 74 G N 1.831 110.640 108.800 0.014 0.000 2.234 74 G HA2 -0.294 3.643 3.960 -0.038 0.000 0.235 74 G HA3 -0.294 3.643 3.960 -0.038 0.000 0.235 74 G C 1.059 176.067 174.900 0.180 0.000 0.997 74 G CA 0.128 45.270 45.100 0.069 0.000 0.623 74 G HN 0.635 nan 8.290 nan 0.000 0.514 75 H N 0.668 119.742 119.070 0.007 0.000 2.329 75 H HA 0.434 4.966 4.556 -0.041 0.000 0.306 75 H C 2.170 177.577 175.328 0.133 0.000 1.062 75 H CA 0.427 56.473 56.048 -0.003 0.000 1.364 75 H CB 0.194 29.876 29.762 -0.133 0.000 1.409 75 H HN 0.594 nan 8.280 nan 0.000 0.519 76 A N 1.484 124.487 122.820 0.305 0.000 2.488 76 A HA 0.229 4.527 4.320 -0.038 0.000 0.249 76 A C 0.988 178.640 177.584 0.113 0.000 1.083 76 A CA 0.111 52.278 52.037 0.217 0.000 0.768 76 A CB 0.151 19.225 19.000 0.124 0.000 1.017 76 A HN 0.341 nan 8.150 nan 0.000 0.496 77 V N 0.122 120.083 119.914 0.078 0.000 3.276 77 V HA 0.595 4.692 4.120 -0.038 0.000 0.319 77 V C 0.915 177.015 176.094 0.010 0.000 1.476 77 V CA 0.466 62.793 62.300 0.045 0.000 1.097 77 V CB -0.546 31.308 31.823 0.053 0.000 0.988 77 V HN 2.356 nan 8.190 nan 0.000 0.473 78 G N 1.172 109.955 108.800 -0.030 0.000 2.157 78 G HA2 -0.201 3.737 3.960 -0.038 0.000 0.248 78 G HA3 -0.201 3.737 3.960 -0.038 0.000 0.248 78 G C -0.251 174.580 174.900 -0.114 0.000 0.979 78 G CA 0.393 45.440 45.100 -0.088 0.000 0.650 78 G HN 0.634 nan 8.290 nan 0.000 0.529 79 L N 1.663 122.842 121.223 -0.074 0.000 2.381 79 L HA 0.577 4.894 4.340 -0.038 0.000 0.274 79 L C 0.958 177.775 176.870 -0.089 0.000 0.988 79 L CA -0.593 54.206 54.840 -0.068 0.000 0.824 79 L CB 2.060 44.117 42.059 -0.004 0.000 1.263 79 L HN 0.366 nan 8.230 nan 0.000 0.410 80 S N 1.736 117.363 115.700 -0.123 0.000 2.563 80 S HA 0.121 4.568 4.470 -0.038 0.000 0.294 80 S C 0.628 175.198 174.600 -0.050 0.000 1.279 80 S CA 0.037 58.084 58.200 -0.255 0.000 1.069 80 S CB -0.244 62.837 63.200 -0.198 0.000 0.828 80 S HN 0.665 nan 8.310 nan 0.000 0.497 81 F N -0.540 119.314 119.950 -0.160 0.000 2.635 81 F HA -0.251 4.247 4.527 -0.048 0.000 0.502 81 F C 1.273 177.148 175.800 0.126 0.000 0.538 81 F CA 1.027 59.006 58.000 -0.036 0.000 1.064 81 F CB -1.908 37.141 39.000 0.082 0.000 1.751 81 F HN 0.760 nan 8.300 nan 0.000 0.268 82 S N 0.514 116.330 115.700 0.194 0.000 2.580 82 S HA 0.616 5.064 4.470 -0.038 0.000 0.274 82 S C -0.069 174.623 174.600 0.154 0.000 1.329 82 S CA 0.031 58.289 58.200 0.097 0.000 1.036 82 S CB 1.092 64.308 63.200 0.027 0.000 0.919 82 S HN 0.607 nan 8.310 nan 0.000 0.515 83 V N 1.465 121.394 119.914 0.025 0.000 3.126 83 V HA 0.966 5.064 4.120 -0.038 0.000 0.314 83 V C 0.228 176.324 176.094 0.004 0.000 1.138 83 V CA -1.037 61.259 62.300 -0.007 0.000 1.034 83 V CB 0.841 32.563 31.823 -0.168 0.000 1.075 83 V HN 1.093 nan 8.190 nan 0.000 0.442 84 A N 1.679 124.511 122.820 0.020 0.000 2.483 84 A HA 0.532 4.830 4.320 -0.038 0.000 0.238 84 A C -1.371 176.233 177.584 0.033 0.000 1.070 84 A CA -0.615 51.440 52.037 0.029 0.000 0.770 84 A CB -0.458 18.565 19.000 0.039 0.000 1.008 84 A HN 0.857 nan 8.150 nan 0.000 0.497 85 P HA -0.101 nan 4.420 nan 0.000 0.228 85 P C 0.434 177.768 177.300 0.056 0.000 1.151 85 P CA 1.432 64.558 63.100 0.043 0.000 0.770 85 P CB 0.106 31.822 31.700 0.027 0.000 0.786 86 D N -1.695 118.732 120.400 0.045 0.000 2.349 86 D HA -0.007 4.610 4.640 -0.038 0.000 0.214 86 D C 0.276 176.599 176.300 0.038 0.000 1.063 86 D CA 0.103 54.126 54.000 0.039 0.000 0.847 86 D CB -0.380 40.437 40.800 0.029 0.000 0.933 86 D HN -0.049 nan 8.370 nan 0.000 0.513 87 V N 1.218 121.161 119.914 0.047 0.000 2.521 87 V HA 0.259 4.356 4.120 -0.038 0.000 0.286 87 V C 0.349 176.454 176.094 0.020 0.000 1.034 87 V CA 0.026 62.343 62.300 0.029 0.000 1.045 87 V CB 0.180 31.984 31.823 -0.032 0.000 0.974 87 V HN 0.077 nan 8.190 nan 0.000 0.480 88 R N 4.637 125.124 120.500 -0.022 0.000 2.522 88 R HA 0.516 4.833 4.340 -0.038 0.000 0.283 88 R C -2.506 173.742 176.300 -0.088 0.000 1.074 88 R CA -1.262 54.775 56.100 -0.105 0.000 0.925 88 R CB 2.041 32.277 30.300 -0.107 0.000 1.205 88 R HN 0.635 nan 8.270 nan 0.000 0.436 89 P HA 0.256 nan 4.420 nan 0.000 0.276 89 P C -0.914 176.266 177.300 -0.200 0.000 1.261 89 P CA -0.584 62.340 63.100 -0.294 0.000 0.800 89 P CB 0.451 31.989 31.700 -0.269 0.000 1.066 90 W N -0.300 120.930 121.300 -0.116 0.000 2.161 90 W HA 0.523 5.158 4.660 -0.041 0.000 0.344 90 W C -2.524 173.849 176.519 -0.244 0.000 1.262 90 W CA -2.759 54.440 57.345 -0.244 0.000 1.270 90 W CB -1.990 27.337 29.460 -0.222 0.000 1.126 90 W HN 0.185 nan 8.180 nan 0.000 0.598 91 P HA 0.027 nan 4.420 nan 0.000 0.266 91 P C 0.826 178.170 177.300 0.074 0.000 1.193 91 P CA -0.004 63.033 63.100 -0.105 0.000 0.770 91 P CB 0.576 31.992 31.700 -0.474 0.000 0.836 92 R N 0.891 121.450 120.500 0.097 0.000 2.096 92 R HA -0.097 4.220 4.340 -0.038 0.000 0.235 92 R C 2.159 178.518 176.300 0.098 0.000 1.127 92 R CA 1.605 57.776 56.100 0.119 0.000 0.968 92 R CB -0.554 29.805 30.300 0.099 0.000 0.861 92 R HN 0.481 nan 8.270 nan 0.000 0.440 93 S N 1.167 116.932 115.700 0.109 0.000 2.370 93 S HA -0.154 4.294 4.470 -0.038 0.000 0.226 93 S C 1.747 176.290 174.600 -0.095 0.000 1.033 93 S CA 1.111 59.340 58.200 0.048 0.000 1.011 93 S CB -0.203 63.169 63.200 0.287 0.000 0.852 93 S HN 0.169 nan 8.310 nan 0.000 0.457 94 L N 1.671 122.860 121.223 -0.057 0.000 2.109 94 L HA 0.131 4.448 4.340 -0.038 0.000 0.207 94 L C 2.328 178.851 176.870 -0.578 0.000 1.086 94 L CA 1.616 56.211 54.840 -0.407 0.000 0.760 94 L CB -1.071 40.691 42.059 -0.496 0.000 0.910 94 L HN 0.235 nan 8.230 nan 0.000 0.437 95 A N -0.324 122.444 122.820 -0.087 0.000 1.908 95 A HA -0.232 4.066 4.320 -0.038 0.000 0.218 95 A C 2.066 179.784 177.584 0.224 0.000 1.181 95 A CA 1.962 54.162 52.037 0.273 0.000 0.627 95 A CB -0.735 18.557 19.000 0.487 0.000 0.818 95 A HN 0.585 nan 8.150 nan 0.000 0.445 96 N N 0.076 118.867 118.700 0.153 0.000 2.142 96 N HA -0.059 4.658 4.740 -0.038 0.000 0.186 96 N C 1.630 177.350 175.510 0.351 0.000 1.023 96 N CA 1.402 54.640 53.050 0.314 0.000 0.852 96 N CB -0.493 38.038 38.487 0.072 0.000 0.998 96 N HN 0.562 nan 8.380 nan 0.000 0.424 97 I N 0.383 120.944 120.570 -0.016 0.000 2.151 97 I HA -0.285 3.862 4.170 -0.038 0.000 0.243 97 I C 1.698 178.099 176.117 0.474 0.000 1.080 97 I CA 1.092 62.491 61.300 0.164 0.000 1.339 97 I CB -0.261 37.651 38.000 -0.147 0.000 1.039 97 I HN -0.012 nan 8.210 nan 0.000 0.409 98 F N 0.854 120.865 119.950 0.102 0.000 2.234 98 F HA -0.204 4.304 4.527 -0.031 0.000 0.299 98 F C 2.283 178.233 175.800 0.251 0.000 1.087 98 F CA 1.404 59.434 58.000 0.050 0.000 1.340 98 F CB -1.223 37.648 39.000 -0.215 0.000 1.031 98 F HN 0.199 nan 8.300 nan 0.000 0.500 99 D N -0.062 120.617 120.400 0.464 0.000 2.097 99 D HA -0.216 4.402 4.640 -0.038 0.000 0.195 99 D C 2.147 178.637 176.300 0.318 0.000 0.989 99 D CA 1.301 55.505 54.000 0.340 0.000 0.827 99 D CB 0.068 41.024 40.800 0.259 0.000 0.966 99 D HN 0.082 nan 8.370 nan 0.000 0.456 100 E N -0.918 119.541 120.200 0.431 0.000 2.072 100 E HA -0.213 4.114 4.350 -0.038 0.000 0.191 100 E C 1.868 178.664 176.600 0.327 0.000 0.985 100 E CA 0.982 57.555 56.400 0.288 0.000 0.801 100 E CB -0.675 29.057 29.700 0.053 0.000 0.750 100 E HN 0.561 nan 8.360 nan 0.000 0.452 101 Y N 1.083 121.573 120.300 0.315 0.000 2.069 101 Y HA -0.325 4.202 4.550 -0.038 0.000 0.278 101 Y C 2.429 178.320 175.900 -0.016 0.000 1.175 101 Y CA 3.203 61.325 58.100 0.036 0.000 1.134 101 Y CB -1.007 37.428 38.460 -0.042 0.000 0.965 101 Y HN 0.242 nan 8.280 nan 0.000 0.498 102 T N -1.493 113.153 114.554 0.153 0.000 2.777 102 T HA -0.129 4.198 4.350 -0.038 0.000 0.266 102 T C 2.046 176.700 174.700 -0.077 0.000 1.040 102 T CA 1.386 63.485 62.100 -0.002 0.000 1.141 102 T CB -1.075 67.874 68.868 0.135 0.000 0.868 102 T HN 0.428 nan 8.240 nan 0.000 0.444 103 A N 1.786 124.598 122.820 -0.013 0.000 1.898 103 A HA -0.034 4.264 4.320 -0.038 0.000 0.216 103 A C 2.213 179.744 177.584 -0.089 0.000 1.181 103 A CA 1.785 53.798 52.037 -0.041 0.000 0.620 103 A CB -0.955 18.037 19.000 -0.012 0.000 0.819 103 A HN 0.569 nan 8.150 nan 0.000 0.442 104 D N -0.007 120.338 120.400 -0.091 0.000 2.077 104 D HA -0.070 4.548 4.640 -0.038 0.000 0.196 104 D C 1.715 177.874 176.300 -0.235 0.000 0.986 104 D CA 1.355 55.283 54.000 -0.120 0.000 0.829 104 D CB -0.211 40.573 40.800 -0.027 0.000 0.983 104 D HN 0.367 nan 8.370 nan 0.000 0.453 105 L N -1.241 119.727 121.223 -0.424 0.000 2.477 105 L HA 0.300 4.617 4.340 -0.038 0.000 0.220 105 L C 1.755 178.162 176.870 -0.771 0.000 1.106 105 L CA 0.476 54.866 54.840 -0.749 0.000 0.851 105 L CB 0.084 41.363 42.059 -1.300 0.000 0.994 105 L HN 0.317 nan 8.230 nan 0.000 0.462 106 G N -0.659 107.854 108.800 -0.478 0.000 2.148 106 G HA2 -0.312 3.626 3.960 -0.038 0.000 0.254 106 G HA3 -0.312 3.626 3.960 -0.038 0.000 0.254 106 G C 0.144 174.958 174.900 -0.144 0.000 0.981 106 G CA -0.150 44.795 45.100 -0.258 0.000 0.670 106 G HN 0.347 nan 8.290 nan 0.000 0.528 107 Y N 1.172 121.341 120.300 -0.217 0.000 2.300 107 Y HA 0.438 4.965 4.550 -0.038 0.000 0.328 107 Y C -1.069 174.805 175.900 -0.042 0.000 1.270 107 Y CA -1.975 56.029 58.100 -0.160 0.000 1.352 107 Y CB 0.679 38.963 38.460 -0.292 0.000 1.286 107 Y HN 0.051 nan 8.280 nan 0.000 0.536 108 P HA 0.021 nan 4.420 nan 0.000 0.274 108 P C -0.824 176.599 177.300 0.205 0.000 1.237 108 P CA -0.474 62.718 63.100 0.153 0.000 0.793 108 P CB 0.953 32.713 31.700 0.100 0.000 0.977 109 L N 3.608 124.925 121.223 0.156 0.000 2.540 109 L HA 0.142 4.460 4.340 -0.038 0.000 0.276 109 L C -2.038 174.830 176.870 -0.003 0.000 1.212 109 L CA -1.055 53.859 54.840 0.123 0.000 0.893 109 L CB -1.180 40.996 42.059 0.195 0.000 1.138 109 L HN 0.309 nan 8.230 nan 0.000 0.491 110 P HA 0.080 nan 4.420 nan 0.000 0.268 110 P C 0.253 177.518 177.300 -0.058 0.000 1.208 110 P CA 0.061 62.910 63.100 -0.418 0.000 0.777 110 P CB 0.545 31.540 31.700 -1.176 0.000 0.875 111 S N 0.180 115.869 115.700 -0.019 0.000 2.436 111 S HA -0.043 4.405 4.470 -0.038 0.000 0.228 111 S C 0.777 175.516 174.600 0.231 0.000 1.014 111 S CA 1.062 59.321 58.200 0.098 0.000 0.950 111 S CB -0.722 62.499 63.200 0.035 0.000 0.784 111 S HN 0.763 nan 8.310 nan 0.000 0.504 112 N N -1.532 117.287 118.700 0.198 0.000 2.934 112 N HA 0.475 5.193 4.740 -0.038 0.000 0.253 112 N C 0.037 175.638 175.510 0.153 0.000 1.466 112 N CA -0.448 52.798 53.050 0.327 0.000 0.858 112 N CB 0.475 39.055 38.487 0.155 0.000 1.459 112 N HN -0.112 nan 8.380 nan 0.000 0.532 113 G N -1.422 107.495 108.800 0.197 0.000 3.371 113 G HA2 0.055 3.993 3.960 -0.038 0.000 0.248 113 G HA3 0.055 3.993 3.960 -0.038 0.000 0.248 113 G C -0.580 174.278 174.900 -0.069 0.000 1.161 113 G CA -0.085 45.003 45.100 -0.019 0.000 0.796 113 G HN 0.678 nan 8.290 nan 0.000 0.539 114 D N 0.656 121.021 120.400 -0.059 0.000 2.325 114 D HA 0.185 4.803 4.640 -0.038 0.000 0.251 114 D C 0.877 177.055 176.300 -0.204 0.000 1.196 114 D CA -0.581 53.364 54.000 -0.092 0.000 0.866 114 D CB 1.124 41.893 40.800 -0.051 0.000 1.101 114 D HN -0.152 nan 8.370 nan 0.000 0.476 115 L N 3.720 124.806 121.223 -0.228 0.000 2.653 115 L HA 0.110 4.427 4.340 -0.038 0.000 0.231 115 L C 2.155 178.890 176.870 -0.225 0.000 1.153 115 L CA 0.376 54.978 54.840 -0.396 0.000 0.933 115 L CB -0.800 41.058 42.059 -0.336 0.000 1.175 115 L HN 0.443 nan 8.230 nan 0.000 0.473 116 T N 0.644 115.114 114.554 -0.141 0.000 2.699 116 T HA -0.146 4.182 4.350 -0.038 0.000 0.268 116 T C -0.411 174.217 174.700 -0.120 0.000 1.036 116 T CA 1.667 63.706 62.100 -0.103 0.000 1.147 116 T CB -0.743 68.129 68.868 0.007 0.000 0.862 116 T HN 0.228 nan 8.240 nan 0.000 0.446 117 P HA -0.098 nan 4.420 nan 0.000 0.216 117 P C 0.928 178.283 177.300 0.091 0.000 1.150 117 P CA 0.923 64.017 63.100 -0.010 0.000 0.843 117 P CB -0.177 31.516 31.700 -0.011 0.000 0.787 118 W N 0.143 121.395 121.300 -0.081 0.000 2.355 118 W HA -0.006 4.629 4.660 -0.042 0.000 0.309 118 W C 2.625 179.024 176.519 -0.200 0.000 1.206 118 W CA 0.938 58.232 57.345 -0.086 0.000 1.284 118 W CB -1.925 27.582 29.460 0.078 0.000 1.145 118 W HN -0.049 nan 8.180 nan 0.000 0.502 119 A N 0.038 122.798 122.820 -0.100 0.000 1.933 119 A HA -0.229 4.069 4.320 -0.038 0.000 0.218 119 A C 1.923 179.116 177.584 -0.652 0.000 1.175 119 A CA 1.719 53.432 52.037 -0.540 0.000 0.628 119 A CB -0.829 17.519 19.000 -1.088 0.000 0.814 119 A HN 0.442 nan 8.150 nan 0.000 0.444 120 Q N -1.077 118.472 119.800 -0.419 0.000 2.369 120 Q HA 0.004 4.322 4.340 -0.038 0.000 0.206 120 Q C 1.319 177.314 176.000 -0.009 0.000 0.963 120 Q CA 0.742 56.498 55.803 -0.078 0.000 0.894 120 Q CB 0.054 28.816 28.738 0.041 0.000 0.965 120 Q HN 0.589 nan 8.270 nan 0.000 0.475 121 R N -0.944 119.525 120.500 -0.052 0.000 2.468 121 R HA 0.179 4.496 4.340 -0.038 0.000 0.280 121 R C 0.384 176.624 176.300 -0.101 0.000 0.963 121 R CA 0.420 56.481 56.100 -0.064 0.000 1.083 121 R CB 1.070 31.317 30.300 -0.088 0.000 1.200 121 R HN 0.239 nan 8.270 nan 0.000 0.541 122 G N 0.476 109.238 108.800 -0.064 0.000 2.135 122 G HA2 -0.203 3.734 3.960 -0.038 0.000 0.183 122 G HA3 -0.203 3.734 3.960 -0.038 0.000 0.183 122 G C -0.183 174.681 174.900 -0.059 0.000 1.004 122 G CA -0.443 44.627 45.100 -0.050 0.000 0.677 122 G HN 0.100 nan 8.290 nan 0.000 0.512 123 V N 1.297 121.179 119.914 -0.054 0.000 2.370 123 V HA 0.614 4.712 4.120 -0.038 0.000 0.279 123 V C 0.469 176.606 176.094 0.071 0.000 1.029 123 V CA -0.869 61.432 62.300 0.002 0.000 0.870 123 V CB 1.597 33.442 31.823 0.037 0.000 0.984 123 V HN 0.420 nan 8.190 nan 0.000 0.451 124 L N 7.192 128.487 121.223 0.120 0.000 2.325 124 L HA 0.396 4.713 4.340 -0.038 0.000 0.284 124 L C -0.183 176.744 176.870 0.095 0.000 1.089 124 L CA 0.406 55.336 54.840 0.150 0.000 0.836 124 L CB 0.295 42.515 42.059 0.268 0.000 1.184 124 L HN 0.555 nan 8.230 nan 0.000 0.444 125 L N 6.790 128.044 121.223 0.052 0.000 2.397 125 L HA 0.306 4.623 4.340 -0.038 0.000 0.263 125 L C -0.534 176.304 176.870 -0.052 0.000 1.136 125 L CA -0.296 54.585 54.840 0.068 0.000 1.019 125 L CB 0.451 42.578 42.059 0.113 0.000 1.352 125 L HN 0.514 nan 8.230 nan 0.000 0.420 126 L N 2.772 123.969 121.223 -0.043 0.000 2.272 126 L HA 0.467 4.785 4.340 -0.038 0.000 0.289 126 L C -0.144 176.662 176.870 -0.107 0.000 1.032 126 L CA -0.029 54.742 54.840 -0.114 0.000 0.810 126 L CB 0.878 42.923 42.059 -0.023 0.000 1.205 126 L HN 0.316 nan 8.230 nan 0.000 0.422 127 N N 3.620 122.210 118.700 -0.183 0.000 2.518 127 N HA 0.260 4.978 4.740 -0.038 0.000 0.283 127 N C 0.737 176.184 175.510 -0.106 0.000 1.119 127 N CA -0.473 52.470 53.050 -0.179 0.000 0.983 127 N CB 1.530 39.864 38.487 -0.255 0.000 1.139 127 N HN 0.512 nan 8.380 nan 0.000 0.465 128 R N 0.525 120.994 120.500 -0.052 0.000 2.115 128 R HA 0.053 4.371 4.340 -0.038 0.000 0.230 128 R C -0.039 176.279 176.300 0.030 0.000 1.111 128 R CA 0.724 56.832 56.100 0.014 0.000 0.976 128 R CB -0.012 30.308 30.300 0.034 0.000 0.870 128 R HN 0.310 nan 8.270 nan 0.000 0.445 129 V N 1.555 121.453 119.914 -0.027 0.000 2.448 129 V HA 0.206 4.303 4.120 -0.038 0.000 0.295 129 V C 1.121 177.047 176.094 -0.280 0.000 1.025 129 V CA -0.355 61.934 62.300 -0.018 0.000 0.859 129 V CB 2.176 34.050 31.823 0.085 0.000 0.988 129 V HN 0.080 nan 8.190 nan 0.000 0.431 130 L N 3.214 123.963 121.223 -0.790 0.000 2.554 130 L HA 0.194 4.512 4.340 -0.038 0.000 0.225 130 L C 0.959 177.459 176.870 -0.616 0.000 1.104 130 L CA 0.527 54.800 54.840 -0.945 0.000 0.866 130 L CB 0.301 41.455 42.059 -1.510 0.000 1.047 130 L HN 0.874 nan 8.230 nan 0.000 0.468 131 T N -3.233 111.133 114.554 -0.313 0.000 2.887 131 T HA 0.688 5.016 4.350 -0.038 0.000 0.292 131 T C -0.805 173.973 174.700 0.130 0.000 1.087 131 T CA -0.756 61.431 62.100 0.145 0.000 1.009 131 T CB 2.841 72.017 68.868 0.512 0.000 1.203 131 T HN -0.213 nan 8.240 nan 0.000 0.518 132 V N -0.045 119.835 119.914 -0.057 0.000 3.077 132 V HA 0.637 4.734 4.120 -0.038 0.000 0.299 132 V C -0.999 174.875 176.094 -0.367 0.000 1.276 132 V CA -1.106 60.988 62.300 -0.342 0.000 0.993 132 V CB 2.287 34.042 31.823 -0.113 0.000 1.076 132 V HN 1.165 nan 8.190 nan 0.000 0.434 133 R N 5.411 125.646 120.500 -0.442 0.000 2.442 133 R HA 0.424 4.741 4.340 -0.038 0.000 0.291 133 R C -2.451 173.817 176.300 -0.054 0.000 1.069 133 R CA -1.319 54.704 56.100 -0.129 0.000 1.022 133 R CB 1.133 31.423 30.300 -0.017 0.000 0.976 133 R HN 0.517 nan 8.270 nan 0.000 0.443 134 P HA -0.069 nan 4.420 nan 0.000 0.261 134 P C -0.559 176.731 177.300 -0.016 0.000 1.173 134 P CA 0.761 63.849 63.100 -0.020 0.000 0.760 134 P CB 0.702 32.389 31.700 -0.021 0.000 0.783 135 S N 0.490 116.179 115.700 -0.018 0.000 3.476 135 S HA -0.264 4.183 4.470 -0.038 0.000 0.309 135 S C 0.339 174.937 174.600 -0.003 0.000 1.222 135 S CA 1.103 59.295 58.200 -0.014 0.000 0.922 135 S CB -2.392 60.797 63.200 -0.019 0.000 1.023 135 S HN 0.841 nan 8.310 nan 0.000 0.591 136 N N 1.157 119.855 118.700 -0.004 0.000 2.790 136 N HA 0.239 4.956 4.740 -0.038 0.000 0.256 136 N C -2.983 172.528 175.510 0.003 0.000 1.409 136 N CA -1.778 51.275 53.050 0.005 0.000 0.799 136 N CB 1.048 39.543 38.487 0.014 0.000 1.170 136 N HN 0.041 nan 8.380 nan 0.000 0.507 137 P HA 0.019 nan 4.420 nan 0.000 0.266 137 P C 0.290 177.597 177.300 0.011 0.000 1.195 137 P CA 0.619 63.720 63.100 0.003 0.000 0.768 137 P CB 1.068 32.771 31.700 0.005 0.000 0.838 138 A N 2.266 125.093 122.820 0.011 0.000 2.861 138 A HA -0.234 4.064 4.320 -0.038 0.000 0.261 138 A C 1.664 179.293 177.584 0.075 0.000 1.351 138 A CA 1.494 53.553 52.037 0.036 0.000 0.904 138 A CB -2.852 16.163 19.000 0.025 0.000 1.076 138 A HN 0.644 nan 8.150 nan 0.000 0.729 139 S N -1.689 114.057 115.700 0.077 0.000 2.481 139 S HA -0.061 4.386 4.470 -0.038 0.000 0.231 139 S C 1.026 175.827 174.600 0.335 0.000 0.996 139 S CA 1.311 59.599 58.200 0.147 0.000 0.942 139 S CB -0.599 62.664 63.200 0.104 0.000 0.768 139 S HN 0.844 nan 8.310 nan 0.000 0.520 140 H N 0.161 119.312 119.070 0.136 0.000 2.592 140 H HA 0.337 4.871 4.556 -0.038 0.000 0.279 140 H C 0.565 175.944 175.328 0.085 0.000 1.089 140 H CA -0.706 55.434 56.048 0.154 0.000 1.150 140 H CB 0.453 30.388 29.762 0.288 0.000 1.575 140 H HN 0.239 nan 8.280 nan 0.000 0.547 141 R N 0.627 121.232 120.500 0.174 0.000 2.570 141 R HA 0.045 4.363 4.340 -0.038 0.000 0.277 141 R C 0.837 177.160 176.300 0.038 0.000 1.039 141 R CA 1.134 57.293 56.100 0.098 0.000 1.065 141 R CB 0.153 30.495 30.300 0.070 0.000 0.964 141 R HN 0.551 nan 8.270 nan 0.000 0.428 142 G N 3.317 112.125 108.800 0.013 0.000 2.148 142 G HA2 -0.276 3.661 3.960 -0.038 0.000 0.254 142 G HA3 -0.276 3.661 3.960 -0.038 0.000 0.254 142 G C 0.522 175.351 174.900 -0.118 0.000 0.981 142 G CA 0.545 45.624 45.100 -0.034 0.000 0.670 142 G HN 0.575 nan 8.290 nan 0.000 0.528 143 K N -0.361 119.915 120.400 -0.206 0.000 2.367 143 K HA 0.476 4.774 4.320 -0.038 0.000 0.194 143 K C 1.936 178.227 176.600 -0.515 0.000 1.027 143 K CA 1.302 57.290 56.287 -0.498 0.000 1.075 143 K CB 0.241 32.196 32.500 -0.908 0.000 0.845 143 K HN 1.274 nan 8.250 nan 0.000 0.529 144 G N -1.259 107.361 108.800 -0.300 0.000 2.367 144 G HA2 -0.192 3.746 3.960 -0.038 0.000 0.181 144 G HA3 -0.192 3.746 3.960 -0.038 0.000 0.181 144 G C 0.951 175.740 174.900 -0.184 0.000 1.000 144 G CA -0.156 44.794 45.100 -0.251 0.000 0.693 144 G HN 0.273 nan 8.290 nan 0.000 0.480 145 W N 1.180 122.439 121.300 -0.067 0.000 2.425 145 W HA 0.245 4.880 4.660 -0.041 0.000 0.277 145 W C 2.284 178.806 176.519 0.005 0.000 1.231 145 W CA 1.154 58.491 57.345 -0.014 0.000 1.248 145 W CB 0.159 29.621 29.460 0.002 0.000 1.117 145 W HN 0.323 nan 8.180 nan 0.000 0.568 146 E N 0.456 120.780 120.200 0.206 0.000 2.085 146 E HA -0.229 4.099 4.350 -0.038 0.000 0.194 146 E C 2.264 178.930 176.600 0.109 0.000 0.994 146 E CA 1.867 58.348 56.400 0.135 0.000 0.801 146 E CB -0.735 29.012 29.700 0.078 0.000 0.743 146 E HN 0.217 nan 8.360 nan 0.000 0.453 147 A N 0.320 123.185 122.820 0.075 0.000 1.933 147 A HA -0.158 4.139 4.320 -0.038 0.000 0.218 147 A C 2.457 180.088 177.584 0.078 0.000 1.175 147 A CA 1.396 53.463 52.037 0.050 0.000 0.628 147 A CB -0.648 18.354 19.000 0.002 0.000 0.814 147 A HN 0.155 nan 8.150 nan 0.000 0.444 148 V N 0.468 120.461 119.914 0.131 0.000 2.307 148 V HA -0.227 3.870 4.120 -0.038 0.000 0.245 148 V C 3.014 179.201 176.094 0.156 0.000 1.045 148 V CA 2.482 64.876 62.300 0.157 0.000 1.024 148 V CB -1.313 30.700 31.823 0.318 0.000 0.651 148 V HN 0.838 nan 8.190 nan 0.000 0.449 149 T N -1.929 112.750 114.554 0.209 0.000 2.985 149 T HA -0.165 4.162 4.350 -0.038 0.000 0.266 149 T C 1.717 176.517 174.700 0.166 0.000 1.076 149 T CA 1.423 63.648 62.100 0.209 0.000 1.135 149 T CB -0.221 68.754 68.868 0.178 0.000 0.890 149 T HN 0.604 nan 8.240 nan 0.000 0.480 150 E N 0.076 120.353 120.200 0.128 0.000 2.077 150 E HA -0.175 4.152 4.350 -0.038 0.000 0.193 150 E C 2.398 179.063 176.600 0.109 0.000 0.989 150 E CA 1.296 57.759 56.400 0.105 0.000 0.800 150 E CB -0.527 29.219 29.700 0.076 0.000 0.746 150 E HN 0.580 nan 8.360 nan 0.000 0.452 151 C N 0.393 119.750 119.300 0.095 0.000 2.413 151 C HA -0.080 4.358 4.460 -0.038 0.000 0.276 151 C C 2.882 177.956 174.990 0.140 0.000 1.248 151 C CA 1.390 60.457 59.018 0.082 0.000 1.742 151 C CB -1.244 26.520 27.740 0.038 0.000 2.017 151 C HN 0.624 nan 8.230 nan 0.000 0.481 152 A N 0.404 123.335 122.820 0.186 0.000 1.883 152 A HA -0.118 4.180 4.320 -0.038 0.000 0.217 152 A C 2.084 179.924 177.584 0.427 0.000 1.186 152 A CA 2.121 54.394 52.037 0.392 0.000 0.624 152 A CB -0.747 18.489 19.000 0.393 0.000 0.822 152 A HN 0.660 nan 8.150 nan 0.000 0.444 153 I N -0.941 119.801 120.570 0.287 0.000 2.142 153 I HA -0.282 3.865 4.170 -0.038 0.000 0.240 153 I C 2.801 179.025 176.117 0.179 0.000 1.078 153 I CA 1.570 63.003 61.300 0.222 0.000 1.343 153 I CB -0.346 37.745 38.000 0.152 0.000 1.046 153 I HN 0.275 nan 8.210 nan 0.000 0.405 154 R N 0.593 121.181 120.500 0.146 0.000 2.115 154 R HA -0.099 4.218 4.340 -0.038 0.000 0.230 154 R C 2.418 178.791 176.300 0.122 0.000 1.111 154 R CA 1.315 57.480 56.100 0.108 0.000 0.976 154 R CB -0.428 29.920 30.300 0.079 0.000 0.870 154 R HN 0.385 nan 8.270 nan 0.000 0.445 155 A N 1.351 124.269 122.820 0.163 0.000 1.902 155 A HA -0.120 4.177 4.320 -0.038 0.000 0.217 155 A C 2.176 179.930 177.584 0.284 0.000 1.181 155 A CA 1.019 53.167 52.037 0.185 0.000 0.623 155 A CB -0.490 18.591 19.000 0.134 0.000 0.818 155 A HN 0.170 nan 8.150 nan 0.000 0.443 156 L N -0.806 120.590 121.223 0.288 0.000 2.012 156 L HA -0.232 4.086 4.340 -0.038 0.000 0.210 156 L C 3.110 180.006 176.870 0.044 0.000 1.073 156 L CA 1.227 56.137 54.840 0.117 0.000 0.748 156 L CB -0.526 41.612 42.059 0.132 0.000 0.891 156 L HN 0.462 nan 8.230 nan 0.000 0.431 157 A N -0.281 122.583 122.820 0.072 0.000 1.972 157 A HA -0.144 4.153 4.320 -0.038 0.000 0.219 157 A C 2.432 180.037 177.584 0.034 0.000 1.169 157 A CA 1.557 53.619 52.037 0.041 0.000 0.635 157 A CB -0.577 18.451 19.000 0.048 0.000 0.810 157 A HN 0.437 nan 8.150 nan 0.000 0.446 158 A N -0.215 122.639 122.820 0.057 0.000 2.067 158 A HA 0.009 4.306 4.320 -0.038 0.000 0.219 158 A C 1.460 179.066 177.584 0.037 0.000 1.158 158 A CA 0.294 52.360 52.037 0.049 0.000 0.661 158 A CB -0.240 18.796 19.000 0.061 0.000 0.801 158 A HN 0.582 nan 8.150 nan 0.000 0.452 159 R N -1.307 119.211 120.500 0.030 0.000 2.738 159 R HA 0.333 4.650 4.340 -0.038 0.000 0.268 159 R C 1.373 177.659 176.300 -0.024 0.000 1.062 159 R CA 0.141 56.236 56.100 -0.008 0.000 1.158 159 R CB 0.289 30.535 30.300 -0.090 0.000 1.046 159 R HN 0.241 nan 8.270 nan 0.000 0.493 160 A N 1.886 124.690 122.820 -0.027 0.000 2.014 160 A HA 0.038 4.335 4.320 -0.038 0.000 0.218 160 A C 1.040 178.599 177.584 -0.041 0.000 1.163 160 A CA 1.010 53.030 52.037 -0.027 0.000 0.652 160 A CB -0.259 18.727 19.000 -0.022 0.000 0.808 160 A HN 0.785 nan 8.150 nan 0.000 0.449 161 A N 0.716 123.498 122.820 -0.064 0.000 2.520 161 A HA 0.461 4.759 4.320 -0.038 0.000 0.235 161 A C -2.265 175.278 177.584 -0.069 0.000 1.065 161 A CA -0.865 51.126 52.037 -0.077 0.000 0.764 161 A CB -0.493 18.436 19.000 -0.118 0.000 1.002 161 A HN 0.274 nan 8.150 nan 0.000 0.502 162 P HA 0.391 nan 4.420 nan 0.000 0.269 162 P C -0.877 176.390 177.300 -0.055 0.000 1.209 162 P CA -0.051 63.020 63.100 -0.047 0.000 0.776 162 P CB 0.554 32.230 31.700 -0.040 0.000 0.876 163 L N 3.216 124.414 121.223 -0.041 0.000 2.455 163 L HA 0.492 4.809 4.340 -0.038 0.000 0.264 163 L C -1.469 175.386 176.870 -0.024 0.000 0.968 163 L CA -0.663 54.155 54.840 -0.037 0.000 0.827 163 L CB 2.298 44.338 42.059 -0.032 0.000 1.317 163 L HN 0.036 nan 8.230 nan 0.000 0.407 164 V N 4.320 124.222 119.914 -0.020 0.000 2.370 164 V HA 0.811 4.908 4.120 -0.038 0.000 0.283 164 V C 0.195 176.272 176.094 -0.028 0.000 1.023 164 V CA -0.278 62.011 62.300 -0.018 0.000 0.857 164 V CB 1.370 33.191 31.823 -0.003 0.000 0.985 164 V HN 0.931 nan 8.190 nan 0.000 0.443 165 A N 6.698 129.492 122.820 -0.043 0.000 2.249 165 A HA 0.757 5.054 4.320 -0.038 0.000 0.314 165 A C -0.416 177.091 177.584 -0.129 0.000 1.290 165 A CA -0.416 51.581 52.037 -0.066 0.000 0.893 165 A CB 0.164 19.141 19.000 -0.039 0.000 1.165 165 A HN 0.802 nan 8.150 nan 0.000 0.530 166 I N 3.729 124.164 120.570 -0.226 0.000 2.301 166 I HA 0.192 4.340 4.170 -0.038 0.000 0.292 166 I C -0.649 175.165 176.117 -0.505 0.000 1.046 166 I CA 0.083 61.136 61.300 -0.411 0.000 1.282 166 I CB 0.769 38.398 38.000 -0.619 0.000 1.409 166 I HN 0.487 nan 8.210 nan 0.000 0.484 167 L N 6.741 127.772 121.223 -0.321 0.000 2.301 167 L HA 0.356 4.674 4.340 -0.038 0.000 0.278 167 L C -1.004 175.867 176.870 0.002 0.000 1.022 167 L CA -0.524 54.222 54.840 -0.156 0.000 0.854 167 L CB 0.650 42.684 42.059 -0.041 0.000 1.226 167 L HN 0.512 nan 8.230 nan 0.000 0.429 168 W N 3.556 124.864 121.300 0.015 0.000 2.316 168 W HA 0.629 5.260 4.660 -0.048 0.000 0.308 168 W C 0.768 177.356 176.519 0.114 0.000 1.106 168 W CA -0.530 56.808 57.345 -0.012 0.000 1.262 168 W CB 1.131 30.453 29.460 -0.230 0.000 1.233 168 W HN 0.675 nan 8.180 nan 0.000 0.447 169 G N 1.264 110.262 108.800 0.330 0.000 2.661 169 G HA2 -0.212 3.725 3.960 -0.038 0.000 0.685 169 G HA3 -0.212 3.725 3.960 -0.038 0.000 0.685 169 G C 0.526 175.525 174.900 0.164 0.000 1.298 169 G CA -0.496 44.761 45.100 0.262 0.000 0.855 169 G HN 0.316 nan 8.290 nan 0.000 0.560 170 R N -0.122 120.446 120.500 0.112 0.000 2.075 170 R HA 0.021 4.339 4.340 -0.038 0.000 0.232 170 R C 2.321 178.665 176.300 0.073 0.000 1.126 170 R CA 2.303 58.449 56.100 0.076 0.000 0.963 170 R CB -1.117 29.214 30.300 0.052 0.000 0.858 170 R HN 0.705 nan 8.270 nan 0.000 0.435 171 D N 0.677 121.125 120.400 0.079 0.000 2.097 171 D HA 0.002 4.620 4.640 -0.038 0.000 0.195 171 D C 1.998 178.345 176.300 0.078 0.000 0.989 171 D CA 1.681 55.722 54.000 0.069 0.000 0.827 171 D CB -0.534 40.303 40.800 0.062 0.000 0.966 171 D HN 0.386 nan 8.370 nan 0.000 0.456 172 A N 0.087 122.971 122.820 0.108 0.000 1.972 172 A HA -0.165 4.132 4.320 -0.038 0.000 0.219 172 A C 2.230 179.852 177.584 0.062 0.000 1.169 172 A CA 1.851 53.944 52.037 0.092 0.000 0.635 172 A CB -0.726 18.347 19.000 0.122 0.000 0.810 172 A HN 0.204 nan 8.150 nan 0.000 0.446 173 S N -0.211 115.530 115.700 0.067 0.000 2.382 173 S HA -0.147 4.301 4.470 -0.038 0.000 0.228 173 S C 2.065 176.689 174.600 0.039 0.000 1.027 173 S CA 2.156 60.385 58.200 0.049 0.000 0.991 173 S CB -0.667 62.566 63.200 0.054 0.000 0.823 173 S HN 0.840 nan 8.310 nan 0.000 0.469 174 T N -0.589 113.991 114.554 0.042 0.000 3.155 174 T HA 0.083 4.410 4.350 -0.038 0.000 0.264 174 T C 1.221 175.942 174.700 0.035 0.000 1.160 174 T CA 0.417 62.538 62.100 0.036 0.000 1.075 174 T CB -0.260 68.629 68.868 0.035 0.000 0.921 174 T HN 0.218 nan 8.240 nan 0.000 0.533 175 L N 0.055 121.300 121.223 0.037 0.000 2.529 175 L HA 0.406 4.723 4.340 -0.038 0.000 0.223 175 L C 2.378 179.267 176.870 0.032 0.000 1.113 175 L CA 0.690 55.553 54.840 0.038 0.000 0.861 175 L CB -0.442 41.642 42.059 0.042 0.000 1.012 175 L HN 0.199 nan 8.230 nan 0.000 0.461 176 K N 0.234 120.649 120.400 0.025 0.000 2.089 176 K HA -0.205 4.093 4.320 -0.038 0.000 0.210 176 K C -0.399 176.214 176.600 0.020 0.000 1.048 176 K CA 1.851 58.150 56.287 0.019 0.000 0.926 176 K CB -1.141 31.368 32.500 0.016 0.000 0.714 176 K HN 0.286 nan 8.250 nan 0.000 0.448 177 P HA -0.143 nan 4.420 nan 0.000 0.218 177 P C 1.072 178.387 177.300 0.025 0.000 1.148 177 P CA 1.376 64.489 63.100 0.021 0.000 0.822 177 P CB 0.023 31.735 31.700 0.021 0.000 0.784 178 M N -1.906 117.713 119.600 0.031 0.000 2.358 178 M HA -0.093 4.364 4.480 -0.038 0.000 0.264 178 M C 1.479 177.803 176.300 0.040 0.000 1.064 178 M CA 1.499 56.823 55.300 0.039 0.000 1.093 178 M CB -0.520 32.110 32.600 0.051 0.000 1.401 178 M HN -0.032 nan 8.290 nan 0.000 0.440 179 L N -1.243 120.000 121.223 0.033 0.000 2.590 179 L HA 0.213 4.530 4.340 -0.038 0.000 0.227 179 L C 2.508 179.390 176.870 0.020 0.000 1.099 179 L CA -0.171 54.687 54.840 0.029 0.000 0.872 179 L CB -0.390 41.683 42.059 0.023 0.000 1.088 179 L HN 0.151 nan 8.230 nan 0.000 0.479 180 A N 0.546 123.377 122.820 0.018 0.000 2.019 180 A HA -0.075 4.222 4.320 -0.038 0.000 0.219 180 A C 2.374 179.965 177.584 0.011 0.000 1.164 180 A CA 1.570 53.615 52.037 0.012 0.000 0.644 180 A CB -0.369 18.638 19.000 0.012 0.000 0.805 180 A HN 0.350 nan 8.150 nan 0.000 0.449 181 A N -0.677 122.151 122.820 0.014 0.000 2.206 181 A HA 0.446 4.743 4.320 -0.038 0.000 0.211 181 A C 1.339 178.929 177.584 0.011 0.000 1.158 181 A CA 0.896 52.940 52.037 0.013 0.000 0.761 181 A CB -0.609 18.400 19.000 0.016 0.000 0.801 181 A HN 0.667 nan 8.150 nan 0.000 0.473 182 G N -0.952 107.855 108.800 0.010 0.000 2.552 182 G HA2 0.351 4.288 3.960 -0.038 0.000 0.318 182 G HA3 0.351 4.288 3.960 -0.038 0.000 0.318 182 G C -0.216 174.683 174.900 -0.002 0.000 1.240 182 G CA -0.710 44.393 45.100 0.005 0.000 1.002 182 G HN 0.303 nan 8.290 nan 0.000 0.493 183 N N -0.671 118.024 118.700 -0.009 0.000 3.050 183 N HA 0.217 4.934 4.740 -0.038 0.000 0.289 183 N C -0.749 174.752 175.510 -0.015 0.000 1.209 183 N CA -0.418 52.624 53.050 -0.013 0.000 1.154 183 N CB -0.062 38.413 38.487 -0.019 0.000 1.444 183 N HN 0.383 nan 8.380 nan 0.000 0.529 184 C N 2.464 121.758 119.300 -0.010 0.000 2.634 184 C HA 0.665 5.102 4.460 -0.038 0.000 0.313 184 C C -0.684 174.300 174.990 -0.011 0.000 1.198 184 C CA -0.307 58.705 59.018 -0.011 0.000 1.605 184 C CB 0.942 28.680 27.740 -0.004 0.000 2.196 184 C HN 0.232 nan 8.230 nan 0.000 0.486 185 V N 4.528 124.433 119.914 -0.014 0.000 2.588 185 V HA 0.779 4.876 4.120 -0.038 0.000 0.304 185 V C 0.384 176.465 176.094 -0.023 0.000 1.042 185 V CA -0.284 62.007 62.300 -0.016 0.000 0.877 185 V CB 1.536 33.349 31.823 -0.016 0.000 0.996 185 V HN 1.207 nan 8.190 nan 0.000 0.425 186 A N 5.425 128.231 122.820 -0.023 0.000 2.301 186 A HA 0.864 5.162 4.320 -0.038 0.000 0.312 186 A C -0.609 176.951 177.584 -0.040 0.000 1.182 186 A CA -0.445 51.572 52.037 -0.033 0.000 0.826 186 A CB 0.459 19.445 19.000 -0.023 0.000 1.134 186 A HN 0.784 nan 8.150 nan 0.000 0.501 187 I N 2.162 122.693 120.570 -0.065 0.000 2.330 187 I HA 0.272 4.420 4.170 -0.038 0.000 0.289 187 I C -0.133 175.955 176.117 -0.049 0.000 1.001 187 I CA 0.093 61.354 61.300 -0.065 0.000 1.193 187 I CB 1.388 39.327 38.000 -0.102 0.000 1.345 187 I HN 0.694 nan 8.210 nan 0.000 0.461 188 E N 5.265 125.462 120.200 -0.006 0.000 2.199 188 E HA 0.655 4.982 4.350 -0.038 0.000 0.269 188 E C -0.955 175.692 176.600 0.078 0.000 0.899 188 E CA -0.602 55.822 56.400 0.039 0.000 0.772 188 E CB 2.323 32.041 29.700 0.030 0.000 1.155 188 E HN 0.655 nan 8.360 nan 0.000 0.408 189 S N 1.681 117.476 115.700 0.159 0.000 2.615 189 S HA 0.552 4.999 4.470 -0.038 0.000 0.269 189 S C -3.013 171.699 174.600 0.187 0.000 1.161 189 S CA -1.573 56.721 58.200 0.157 0.000 0.817 189 S CB 1.375 64.675 63.200 0.166 0.000 1.131 189 S HN 0.099 nan 8.310 nan 0.000 0.467 190 P HA 0.161 nan 4.420 nan 0.000 0.269 190 P C -0.501 176.848 177.300 0.082 0.000 1.217 190 P CA -0.006 63.157 63.100 0.105 0.000 0.783 190 P CB 0.132 31.862 31.700 0.050 0.000 0.898 191 H N 3.833 122.874 119.070 -0.048 0.000 2.732 191 H HA 0.048 4.617 4.556 0.022 0.000 0.351 191 H C -1.372 173.624 175.328 -0.553 0.000 1.090 191 H CA -1.426 54.517 56.048 -0.175 0.000 1.431 191 H CB 0.785 30.527 29.762 -0.033 0.000 1.447 191 H HN 0.265 nan 8.280 nan 0.000 0.582 192 P HA -0.100 nan 4.420 nan 0.000 0.234 192 P C 0.569 177.539 177.300 -0.551 0.000 1.167 192 P CA 0.294 62.472 63.100 -1.537 0.000 0.763 192 P CB 0.056 30.414 31.700 -2.238 0.000 0.835 193 S N 1.462 117.175 115.700 0.022 0.000 2.558 193 S HA 0.034 4.481 4.470 -0.038 0.000 0.291 193 S C -1.197 173.391 174.600 -0.021 0.000 1.306 193 S CA -0.811 57.439 58.200 0.084 0.000 1.056 193 S CB 0.116 63.374 63.200 0.097 0.000 0.836 193 S HN -0.043 nan 8.310 nan 0.000 0.504 194 P HA -0.088 nan 4.420 nan 0.000 0.219 194 P C 1.316 178.636 177.300 0.035 0.000 1.146 194 P CA 0.635 63.763 63.100 0.046 0.000 0.808 194 P CB 0.036 31.776 31.700 0.066 0.000 0.779 195 L N -0.671 120.562 121.223 0.017 0.000 2.191 195 L HA -0.075 4.242 4.340 -0.038 0.000 0.212 195 L C 1.851 178.725 176.870 0.008 0.000 1.103 195 L CA 2.437 57.284 54.840 0.011 0.000 0.769 195 L CB -1.776 40.280 42.059 -0.005 0.000 0.908 195 L HN 0.197 nan 8.230 nan 0.000 0.438 196 S N -3.113 112.583 115.700 -0.007 0.000 2.728 196 S HA 0.258 4.706 4.470 -0.038 0.000 0.257 196 S C 1.820 176.387 174.600 -0.055 0.000 1.060 196 S CA 0.274 58.468 58.200 -0.010 0.000 1.126 196 S CB 0.307 63.511 63.200 0.007 0.000 1.099 196 S HN 0.127 nan 8.310 nan 0.000 0.617 197 A N 2.951 125.689 122.820 -0.137 0.000 1.908 197 A HA -0.052 4.246 4.320 -0.038 0.000 0.218 197 A C 2.270 179.677 177.584 -0.295 0.000 1.181 197 A CA 2.081 53.894 52.037 -0.373 0.000 0.627 197 A CB -1.198 17.436 19.000 -0.610 0.000 0.818 197 A HN 1.040 nan 8.150 nan 0.000 0.445 198 S N -1.291 114.427 115.700 0.031 0.000 2.607 198 S HA 0.076 4.523 4.470 -0.038 0.000 0.224 198 S C 1.324 176.001 174.600 0.129 0.000 0.969 198 S CA 0.073 58.421 58.200 0.247 0.000 0.927 198 S CB -0.120 63.257 63.200 0.295 0.000 0.772 198 S HN 0.482 nan 8.310 nan 0.000 0.533 199 R N 0.567 121.099 120.500 0.054 0.000 2.317 199 R HA 0.296 4.613 4.340 -0.038 0.000 0.208 199 R C 1.383 177.703 176.300 0.034 0.000 0.914 199 R CA 0.751 56.877 56.100 0.043 0.000 1.060 199 R CB 0.190 30.509 30.300 0.031 0.000 1.015 199 R HN 0.618 nan 8.270 nan 0.000 0.498 200 G N -0.339 108.475 108.800 0.024 0.000 3.658 200 G HA2 -0.235 3.703 3.960 -0.038 0.000 0.220 200 G HA3 -0.235 3.703 3.960 -0.038 0.000 0.220 200 G C 0.540 175.416 174.900 -0.039 0.000 0.917 200 G CA -0.257 44.847 45.100 0.008 0.000 0.865 200 G HN 0.219 nan 8.290 nan 0.000 0.652 201 F N 2.025 121.822 119.950 -0.256 0.000 2.102 201 F HA 0.376 4.886 4.527 -0.028 0.000 0.298 201 F C 0.953 176.566 175.800 -0.312 0.000 1.105 201 F CA 0.308 58.066 58.000 -0.404 0.000 1.239 201 F CB -0.165 38.416 39.000 -0.698 0.000 0.991 201 F HN -0.038 nan 8.300 nan 0.000 0.474 202 F N 1.249 121.113 119.950 -0.144 0.000 2.578 202 F HA 0.380 4.889 4.527 -0.029 0.000 0.376 202 F C 1.486 177.167 175.800 -0.197 0.000 1.085 202 F CA 0.151 58.030 58.000 -0.201 0.000 1.260 202 F CB -0.068 38.918 39.000 -0.024 0.000 1.095 202 F HN 0.308 nan 8.300 nan 0.000 0.573 203 G N 0.869 109.648 108.800 -0.035 0.000 2.217 203 G HA2 -0.353 3.584 3.960 -0.038 0.000 0.246 203 G HA3 -0.353 3.584 3.960 -0.038 0.000 0.246 203 G C 1.274 176.092 174.900 -0.137 0.000 0.990 203 G CA 0.530 45.590 45.100 -0.067 0.000 0.627 203 G HN 0.886 nan 8.290 nan 0.000 0.522 204 S N 0.354 115.906 115.700 -0.247 0.000 2.481 204 S HA 0.115 4.562 4.470 -0.038 0.000 0.231 204 S C 1.309 175.764 174.600 -0.241 0.000 0.996 204 S CA 1.103 59.158 58.200 -0.241 0.000 0.942 204 S CB -0.263 62.762 63.200 -0.291 0.000 0.768 204 S HN 1.019 nan 8.310 nan 0.000 0.520 205 R N 0.761 121.097 120.500 -0.273 0.000 3.251 205 R HA -0.101 4.216 4.340 -0.038 0.000 0.249 205 R C -2.008 174.113 176.300 -0.298 0.000 0.949 205 R CA 0.642 56.606 56.100 -0.226 0.000 0.645 205 R CB -2.069 28.147 30.300 -0.141 0.000 1.065 205 R HN 0.514 nan 8.270 nan 0.000 0.452 206 P HA -0.154 nan 4.420 nan 0.000 0.221 206 P C 0.946 177.879 177.300 -0.612 0.000 1.150 206 P CA 1.201 63.974 63.100 -0.545 0.000 0.800 206 P CB 0.021 31.361 31.700 -0.601 0.000 0.787 207 F N 1.643 121.333 119.950 -0.433 0.000 2.118 207 F HA -0.092 4.413 4.527 -0.038 0.000 0.293 207 F C 2.831 178.489 175.800 -0.237 0.000 1.102 207 F CA 1.697 59.236 58.000 -0.768 0.000 1.247 207 F CB -1.806 36.411 39.000 -1.305 0.000 1.017 207 F HN -0.035 nan 8.300 nan 0.000 0.475 208 S N 0.557 116.250 115.700 -0.012 0.000 2.383 208 S HA -0.153 4.294 4.470 -0.038 0.000 0.227 208 S C 2.034 176.651 174.600 0.029 0.000 1.026 208 S CA 0.831 59.053 58.200 0.035 0.000 0.981 208 S CB -0.635 62.548 63.200 -0.028 0.000 0.818 208 S HN 0.319 nan 8.310 nan 0.000 0.472 209 R N 1.482 121.963 120.500 -0.032 0.000 2.081 209 R HA 0.097 4.415 4.340 -0.038 0.000 0.235 209 R C 2.795 179.098 176.300 0.006 0.000 1.131 209 R CA 1.280 57.361 56.100 -0.032 0.000 0.960 209 R CB -0.822 29.433 30.300 -0.076 0.000 0.856 209 R HN 0.564 nan 8.270 nan 0.000 0.436 210 A N 1.489 124.328 122.820 0.032 0.000 1.908 210 A HA -0.210 4.087 4.320 -0.038 0.000 0.218 210 A C 1.737 179.398 177.584 0.129 0.000 1.181 210 A CA 1.715 53.812 52.037 0.099 0.000 0.627 210 A CB -0.474 18.659 19.000 0.222 0.000 0.818 210 A HN 0.250 nan 8.150 nan 0.000 0.445 211 N N -0.492 118.323 118.700 0.191 0.000 2.188 211 N HA -0.121 4.596 4.740 -0.038 0.000 0.184 211 N C 1.712 177.261 175.510 0.066 0.000 1.018 211 N CA 1.396 54.530 53.050 0.139 0.000 0.858 211 N CB -0.396 38.209 38.487 0.197 0.000 0.989 211 N HN 0.747 nan 8.380 nan 0.000 0.426 212 E N 0.610 120.842 120.200 0.053 0.000 2.058 212 E HA -0.117 4.210 4.350 -0.038 0.000 0.194 212 E C 1.869 178.477 176.600 0.013 0.000 0.997 212 E CA 0.803 57.217 56.400 0.024 0.000 0.801 212 E CB -0.031 29.676 29.700 0.012 0.000 0.746 212 E HN 0.253 nan 8.360 nan 0.000 0.450 213 L N 0.453 121.684 121.223 0.013 0.000 2.056 213 L HA -0.196 4.121 4.340 -0.038 0.000 0.207 213 L C 2.565 179.435 176.870 0.000 0.000 1.078 213 L CA 0.779 55.620 54.840 0.003 0.000 0.749 213 L CB -0.351 41.707 42.059 -0.002 0.000 0.901 213 L HN 0.231 nan 8.230 nan 0.000 0.433 214 L N -1.008 120.218 121.223 0.005 0.000 2.017 214 L HA -0.219 4.098 4.340 -0.038 0.000 0.208 214 L C 2.561 179.425 176.870 -0.010 0.000 1.073 214 L CA 1.043 55.879 54.840 -0.008 0.000 0.745 214 L CB -0.594 41.458 42.059 -0.012 0.000 0.894 214 L HN 0.045 nan 8.230 nan 0.000 0.432 215 V N 0.241 120.153 119.914 -0.003 0.000 2.332 215 V HA -0.260 3.838 4.120 -0.038 0.000 0.248 215 V C 2.609 178.699 176.094 -0.006 0.000 1.055 215 V CA 2.099 64.396 62.300 -0.004 0.000 1.038 215 V CB -1.338 30.486 31.823 0.002 0.000 0.651 215 V HN 0.608 nan 8.190 nan 0.000 0.450 216 G N -0.942 107.856 108.800 -0.005 0.000 2.422 216 G HA2 -0.253 3.685 3.960 -0.038 0.000 0.218 216 G HA3 -0.253 3.685 3.960 -0.038 0.000 0.218 216 G C 1.503 176.397 174.900 -0.010 0.000 1.146 216 G CA 0.823 45.919 45.100 -0.006 0.000 0.769 216 G HN 0.473 nan 8.290 nan 0.000 0.547 217 M N 0.418 120.011 119.600 -0.012 0.000 2.618 217 M HA 0.207 4.664 4.480 -0.038 0.000 0.240 217 M C 1.714 178.003 176.300 -0.018 0.000 1.123 217 M CA 0.687 55.977 55.300 -0.015 0.000 1.060 217 M CB 0.392 32.981 32.600 -0.018 0.000 1.535 217 M HN 0.369 nan 8.290 nan 0.000 0.507 218 G N 0.878 109.668 108.800 -0.017 0.000 2.132 218 G HA2 -0.163 3.775 3.960 -0.038 0.000 0.234 218 G HA3 -0.163 3.775 3.960 -0.038 0.000 0.234 218 G C -0.016 174.870 174.900 -0.024 0.000 0.989 218 G CA 0.086 45.175 45.100 -0.018 0.000 0.676 218 G HN 0.657 nan 8.290 nan 0.000 0.522 219 A N -0.569 122.235 122.820 -0.027 0.000 2.299 219 A HA 0.811 5.108 4.320 -0.038 0.000 0.332 219 A C 0.321 177.883 177.584 -0.036 0.000 1.131 219 A CA 0.064 52.080 52.037 -0.036 0.000 0.844 219 A CB 0.903 19.876 19.000 -0.044 0.000 1.251 219 A HN 0.587 nan 8.150 nan 0.000 0.486 220 E N 1.470 121.643 120.200 -0.046 0.000 2.344 220 E HA 0.241 4.569 4.350 -0.038 0.000 0.270 220 E C -2.078 174.483 176.600 -0.065 0.000 1.021 220 E CA -1.654 54.716 56.400 -0.050 0.000 0.887 220 E CB 0.562 30.229 29.700 -0.055 0.000 0.997 220 E HN 0.401 nan 8.360 nan 0.000 0.429 221 P HA 0.051 nan 4.420 nan 0.000 0.273 221 P C -0.351 176.850 177.300 -0.165 0.000 1.250 221 P CA -0.193 62.864 63.100 -0.072 0.000 0.793 221 P CB 0.629 32.316 31.700 -0.022 0.000 1.011 222 I N 1.181 121.570 120.570 -0.302 0.000 2.365 222 I HA 0.118 4.265 4.170 -0.038 0.000 0.291 222 I C 0.734 176.524 176.117 -0.544 0.000 1.004 222 I CA -0.286 60.654 61.300 -0.600 0.000 1.311 222 I CB 0.164 37.399 38.000 -1.275 0.000 1.401 222 I HN 0.320 nan 8.210 nan 0.000 0.491 223 D N 5.695 125.890 120.400 -0.342 0.000 2.344 223 D HA 0.025 4.642 4.640 -0.038 0.000 0.253 223 D C 0.505 176.728 176.300 -0.128 0.000 1.255 223 D CA -0.002 53.909 54.000 -0.148 0.000 0.894 223 D CB 0.301 41.062 40.800 -0.064 0.000 1.067 223 D HN 0.378 nan 8.370 nan 0.000 0.492 224 W N 3.085 124.458 121.300 0.121 0.000 3.047 224 W HA 0.133 4.771 4.660 -0.037 0.000 0.250 224 W C 0.993 177.806 176.519 0.490 0.000 1.314 224 W CA -0.607 56.853 57.345 0.192 0.000 1.540 224 W CB 0.142 29.660 29.460 0.096 0.000 1.127 224 W HN 0.060 nan 8.180 nan 0.000 0.679 225 R N 1.677 122.402 120.500 0.375 0.000 2.502 225 R HA 0.171 4.489 4.340 -0.038 0.000 0.292 225 R C -0.368 176.030 176.300 0.162 0.000 0.998 225 R CA 0.362 56.523 56.100 0.101 0.000 1.056 225 R CB 0.041 30.189 30.300 -0.254 0.000 0.939 225 R HN -0.022 nan 8.270 nan 0.000 0.411 226 L N 5.140 126.430 121.223 0.112 0.000 2.346 226 L HA 0.504 4.822 4.340 -0.038 0.000 0.274 226 L C -1.553 175.245 176.870 -0.121 0.000 1.007 226 L CA -2.272 52.503 54.840 -0.108 0.000 0.818 226 L CB 1.612 43.422 42.059 -0.415 0.000 1.284 226 L HN 0.520 nan 8.230 nan 0.000 0.424 227 P HA 0.000 nan 4.420 nan 0.000 0.216 227 P CA 0.000 63.052 63.100 -0.080 0.000 0.800 227 P CB 0.000 31.664 31.700 -0.060 0.000 0.726