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 2arz_1_B DATA FIRST_RESID -2 DATA SEQUENCE ANSMSVEAAK NARELLLKEY RAVLSTHSKK WPGFPFGSVV PYCLDAEGRP DATA SEQUENCE LILISRIAQH THNLQADPRC SMLVGEXXXX XXXAVGRLTL LAEARQLAEE DATA SEQUENCE EVAAAAERYY RYFPESADYH RVHDFDFWVL QPVQWRFIGG FGAIHWLAAE DATA SEQUENCE RVPLANPFAG EAERGMVEHM NSDHAAAIAH YVELAGLPAH AAAQLAGIDT DATA SEQUENCE EGFHLRIGQG LHWLPFPAAC GNPGAVRQAL VQLARAERWP TV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -2 A HA 0.000 nan 4.320 nan 0.000 0.244 -2 A C 0.000 177.596 177.584 0.021 0.000 1.274 -2 A CA 0.000 52.045 52.037 0.014 0.000 0.836 -2 A CB 0.000 19.003 19.000 0.005 0.000 0.831 -1 N N 0.737 119.456 118.700 0.032 0.000 2.492 -1 N HA 0.120 4.860 4.740 0.000 0.000 0.260 -1 N C 0.822 176.346 175.510 0.024 0.000 1.215 -1 N CA 1.011 54.082 53.050 0.036 0.000 0.923 -1 N CB 1.149 39.670 38.487 0.056 0.000 1.092 -1 N HN 0.074 nan 8.380 nan 0.000 0.448 0 S N 2.732 118.445 115.700 0.021 0.000 2.382 0 S HA -0.131 4.340 4.470 0.000 0.000 0.228 0 S C 1.715 176.311 174.600 -0.007 0.000 1.027 0 S CA 0.977 59.181 58.200 0.006 0.000 0.991 0 S CB -0.188 63.019 63.200 0.012 0.000 0.823 0 S HN 0.627 nan 8.310 nan 0.000 0.469 1 M N 1.910 121.522 119.600 0.020 0.000 2.080 1 M HA -0.107 4.373 4.480 0.000 0.000 0.260 1 M C 2.350 178.576 176.300 -0.123 0.000 1.068 1 M CA 1.656 56.964 55.300 0.013 0.000 1.109 1 M CB -0.563 32.124 32.600 0.145 0.000 1.342 1 M HN 0.410 nan 8.290 nan 0.000 0.405 2 S N -1.102 114.562 115.700 -0.059 0.000 2.406 2 S HA -0.080 4.390 4.470 0.000 0.000 0.228 2 S C 1.983 176.502 174.600 -0.134 0.000 1.020 2 S CA 1.006 59.134 58.200 -0.119 0.000 0.965 2 S CB -1.270 61.962 63.200 0.053 0.000 0.798 2 S HN 0.438 nan 8.310 nan 0.000 0.488 3 V N 1.558 121.421 119.914 -0.084 0.000 2.343 3 V HA -0.136 3.984 4.120 0.000 0.000 0.247 3 V C 2.295 178.309 176.094 -0.133 0.000 1.051 3 V CA 2.350 64.594 62.300 -0.092 0.000 1.036 3 V CB -0.888 30.902 31.823 -0.054 0.000 0.654 3 V HN 0.581 nan 8.190 nan 0.000 0.451 4 E N 0.431 120.554 120.200 -0.129 0.000 2.085 4 E HA -0.200 4.150 4.350 0.000 0.000 0.194 4 E C 2.379 178.839 176.600 -0.233 0.000 0.994 4 E CA 1.488 57.804 56.400 -0.140 0.000 0.801 4 E CB -0.444 29.204 29.700 -0.087 0.000 0.743 4 E HN 0.759 nan 8.360 nan 0.000 0.453 5 A N 1.369 123.995 122.820 -0.322 0.000 1.940 5 A HA -0.158 4.162 4.320 0.000 0.000 0.219 5 A C 2.363 179.655 177.584 -0.487 0.000 1.176 5 A CA 1.804 53.585 52.037 -0.426 0.000 0.631 5 A CB -0.563 18.021 19.000 -0.694 0.000 0.814 5 A HN 0.311 nan 8.150 nan 0.000 0.446 6 A N -0.276 122.335 122.820 -0.348 0.000 1.930 6 A HA -0.110 4.210 4.320 0.000 0.000 0.217 6 A C 2.067 179.410 177.584 -0.402 0.000 1.175 6 A CA 2.258 54.085 52.037 -0.349 0.000 0.627 6 A CB -0.350 18.508 19.000 -0.237 0.000 0.815 6 A HN 0.465 nan 8.150 nan 0.000 0.443 7 K N 0.617 120.820 120.400 -0.328 0.000 2.062 7 K HA -0.048 4.272 4.320 0.000 0.000 0.205 7 K C 1.561 177.941 176.600 -0.366 0.000 1.051 7 K CA 1.968 58.086 56.287 -0.283 0.000 0.941 7 K CB -0.637 31.757 32.500 -0.176 0.000 0.719 7 K HN 0.633 nan 8.250 nan 0.000 0.440 8 N N -0.185 118.231 118.700 -0.473 0.000 2.166 8 N HA -0.129 4.611 4.740 0.000 0.000 0.186 8 N C 1.627 176.608 175.510 -0.882 0.000 1.019 8 N CA 0.864 53.554 53.050 -0.599 0.000 0.856 8 N CB -0.151 37.957 38.487 -0.632 0.000 0.993 8 N HN 0.306 nan 8.380 nan 0.000 0.426 9 A N 1.593 123.762 122.820 -1.085 0.000 1.873 9 A HA -0.142 4.178 4.320 0.000 0.000 0.215 9 A C 2.110 179.404 177.584 -0.484 0.000 1.186 9 A CA 1.155 52.700 52.037 -0.819 0.000 0.616 9 A CB -0.532 18.089 19.000 -0.632 0.000 0.823 9 A HN 0.199 nan 8.150 nan 0.000 0.442 10 R N -0.106 120.092 120.500 -0.502 0.000 2.081 10 R HA -0.162 4.178 4.340 0.000 0.000 0.235 10 R C 2.006 178.063 176.300 -0.405 0.000 1.131 10 R CA 1.793 57.639 56.100 -0.424 0.000 0.960 10 R CB -0.308 29.763 30.300 -0.382 0.000 0.856 10 R HN 0.671 nan 8.270 nan 0.000 0.436 11 E N 0.261 120.211 120.200 -0.418 0.000 2.085 11 E HA -0.229 4.121 4.350 0.000 0.000 0.194 11 E C 1.909 178.302 176.600 -0.344 0.000 0.994 11 E CA 1.276 57.390 56.400 -0.477 0.000 0.801 11 E CB -0.133 29.395 29.700 -0.287 0.000 0.743 11 E HN 0.192 nan 8.360 nan 0.000 0.453 12 L N 0.933 122.042 121.223 -0.190 0.000 2.017 12 L HA -0.150 4.190 4.340 0.000 0.000 0.208 12 L C 2.180 179.045 176.870 -0.007 0.000 1.073 12 L CA 1.371 56.192 54.840 -0.032 0.000 0.745 12 L CB -0.668 41.457 42.059 0.110 0.000 0.894 12 L HN 0.153 nan 8.230 nan 0.000 0.432 13 L N -1.233 119.964 121.223 -0.042 0.000 2.042 13 L HA -0.204 4.136 4.340 0.000 0.000 0.210 13 L C 2.239 179.168 176.870 0.097 0.000 1.076 13 L CA 1.638 56.523 54.840 0.075 0.000 0.749 13 L CB -0.644 41.413 42.059 -0.004 0.000 0.893 13 L HN 0.233 nan 8.230 nan 0.000 0.432 14 L N -0.574 120.538 121.223 -0.186 0.000 2.109 14 L HA -0.145 4.196 4.340 0.000 0.000 0.207 14 L C 2.445 179.245 176.870 -0.118 0.000 1.086 14 L CA 1.614 56.253 54.840 -0.335 0.000 0.760 14 L CB -1.065 40.271 42.059 -1.206 0.000 0.910 14 L HN 0.314 nan 8.230 nan 0.000 0.437 15 K N -1.015 119.309 120.400 -0.126 0.000 2.288 15 K HA -0.054 4.266 4.320 0.000 0.000 0.201 15 K C 0.633 177.331 176.600 0.164 0.000 1.048 15 K CA 0.303 56.647 56.287 0.095 0.000 0.956 15 K CB 0.280 32.828 32.500 0.080 0.000 0.746 15 K HN 0.179 nan 8.250 nan 0.000 0.461 16 E N -0.407 119.884 120.200 0.152 0.000 2.239 16 E HA 0.117 4.467 4.350 0.000 0.000 0.261 16 E C -0.209 176.394 176.600 0.006 0.000 1.016 16 E CA -0.393 56.093 56.400 0.144 0.000 0.882 16 E CB 1.239 31.034 29.700 0.158 0.000 1.190 16 E HN 0.163 nan 8.360 nan 0.000 0.415 17 Y N -1.409 118.747 120.300 -0.239 0.000 2.791 17 Y HA 0.465 5.015 4.550 0.000 0.000 0.263 17 Y C -0.029 175.740 175.900 -0.218 0.000 1.089 17 Y CA -0.600 57.192 58.100 -0.513 0.000 1.253 17 Y CB 0.687 39.032 38.460 -0.191 0.000 1.360 17 Y HN 0.121 nan 8.280 nan 0.000 0.569 18 R N 1.619 121.901 120.500 -0.364 0.000 2.628 18 R HA 0.886 5.226 4.340 0.000 0.000 0.288 18 R C -1.188 175.187 176.300 0.124 0.000 0.980 18 R CA -0.625 55.384 56.100 -0.152 0.000 0.891 18 R CB 2.193 32.257 30.300 -0.393 0.000 1.188 18 R HN 0.300 nan 8.270 nan 0.000 0.450 19 A N 1.737 124.649 122.820 0.153 0.000 2.569 19 A HA 0.686 5.006 4.320 0.000 0.000 0.290 19 A C -1.278 176.324 177.584 0.029 0.000 1.136 19 A CA -0.683 51.408 52.037 0.091 0.000 0.710 19 A CB 1.888 20.913 19.000 0.041 0.000 1.303 19 A HN 0.368 nan 8.150 nan 0.000 0.413 20 V N 1.422 121.335 119.914 -0.002 0.000 2.347 20 V HA 0.387 4.507 4.120 0.000 0.000 0.280 20 V C -0.567 175.512 176.094 -0.025 0.000 1.021 20 V CA -0.338 61.952 62.300 -0.016 0.000 0.847 20 V CB 1.021 32.823 31.823 -0.034 0.000 0.990 20 V HN 0.739 nan 8.190 nan 0.000 0.444 21 L N 5.585 126.803 121.223 -0.008 0.000 2.292 21 L HA 0.535 4.876 4.340 0.000 0.000 0.284 21 L C 0.305 177.176 176.870 0.002 0.000 1.065 21 L CA 0.880 55.711 54.840 -0.016 0.000 0.806 21 L CB 1.567 43.618 42.059 -0.013 0.000 1.175 21 L HN 0.640 nan 8.230 nan 0.000 0.431 22 S N 2.757 118.444 115.700 -0.022 0.000 2.449 22 S HA 0.791 5.261 4.470 0.000 0.000 0.310 22 S C -0.323 174.262 174.600 -0.025 0.000 1.096 22 S CA -0.562 57.626 58.200 -0.019 0.000 1.095 22 S CB 1.291 64.460 63.200 -0.052 0.000 1.007 22 S HN 0.810 nan 8.310 nan 0.000 0.474 23 T N -0.011 114.561 114.554 0.030 0.000 2.887 23 T HA 0.558 4.908 4.350 0.000 0.000 0.292 23 T C -1.063 173.628 174.700 -0.015 0.000 1.087 23 T CA -0.913 61.198 62.100 0.018 0.000 1.009 23 T CB 0.561 69.494 68.868 0.109 0.000 1.203 23 T HN 0.533 nan 8.240 nan 0.000 0.518 24 H N 0.548 119.676 119.070 0.097 0.000 2.668 24 H HA 0.532 5.089 4.556 0.000 0.000 0.303 24 H C 0.490 175.883 175.328 0.108 0.000 1.074 24 H CA 0.026 56.137 56.048 0.106 0.000 1.406 24 H CB 0.856 30.661 29.762 0.070 0.000 1.442 24 H HN 0.638 nan 8.280 nan 0.000 0.482 25 S N 2.471 118.325 115.700 0.255 0.000 2.515 25 S HA -0.046 4.424 4.470 0.000 0.000 0.285 25 S C 1.563 176.254 174.600 0.152 0.000 1.265 25 S CA -0.500 57.802 58.200 0.170 0.000 1.079 25 S CB 0.216 63.578 63.200 0.269 0.000 0.877 25 S HN 0.669 nan 8.310 nan 0.000 0.493 26 K N 5.304 125.740 120.400 0.060 0.000 2.076 26 K HA 0.093 4.413 4.320 0.000 0.000 0.204 26 K C 1.990 178.591 176.600 0.002 0.000 1.051 26 K CA 1.533 57.842 56.287 0.037 0.000 0.949 26 K CB -0.238 32.279 32.500 0.027 0.000 0.726 26 K HN 0.623 nan 8.250 nan 0.000 0.443 27 K N -1.236 119.150 120.400 -0.023 0.000 2.097 27 K HA -0.098 4.222 4.320 0.000 0.000 0.205 27 K C -0.343 176.182 176.600 -0.125 0.000 1.050 27 K CA 0.943 57.187 56.287 -0.071 0.000 0.938 27 K CB 0.051 32.536 32.500 -0.025 0.000 0.718 27 K HN 0.121 nan 8.250 nan 0.000 0.442 28 W N 1.979 123.266 121.300 -0.020 0.000 2.286 28 W HA 0.321 4.981 4.660 0.000 0.000 0.296 28 W C -2.463 174.176 176.519 0.199 0.000 0.911 28 W CA -2.396 54.984 57.345 0.058 0.000 1.761 28 W CB 0.971 30.407 29.460 -0.041 0.000 1.820 28 W HN -0.030 nan 8.180 nan 0.000 0.403 29 P HA 0.053 nan 4.420 nan 0.000 0.263 29 P C 1.018 178.491 177.300 0.288 0.000 1.175 29 P CA 1.845 65.070 63.100 0.209 0.000 0.761 29 P CB 0.743 32.495 31.700 0.087 0.000 0.794 30 G N 1.242 110.159 108.800 0.195 0.000 2.194 30 G HA2 -0.230 3.730 3.960 0.000 0.000 0.236 30 G HA3 -0.230 3.730 3.960 0.000 0.000 0.236 30 G C -0.165 174.658 174.900 -0.128 0.000 0.987 30 G CA -0.571 44.545 45.100 0.026 0.000 0.635 30 G HN 0.416 nan 8.290 nan 0.000 0.520 31 F N 1.767 121.822 119.950 0.175 0.000 2.458 31 F HA 0.601 5.128 4.527 0.000 0.000 0.336 31 F C -1.815 174.073 175.800 0.147 0.000 1.114 31 F CA -2.323 55.766 58.000 0.149 0.000 0.987 31 F CB 2.112 41.209 39.000 0.162 0.000 1.130 31 F HN -0.155 nan 8.300 nan 0.000 0.458 32 P HA 0.224 nan 4.420 nan 0.000 0.274 32 P C -1.353 176.100 177.300 0.256 0.000 1.256 32 P CA -0.266 62.921 63.100 0.145 0.000 0.795 32 P CB 0.753 32.475 31.700 0.037 0.000 1.038 33 F N -0.320 119.638 119.950 0.013 0.000 2.607 33 F HA 0.571 5.098 4.527 0.000 0.000 0.322 33 F C -0.308 175.485 175.800 -0.011 0.000 1.176 33 F CA -0.312 57.692 58.000 0.008 0.000 0.977 33 F CB 1.240 40.254 39.000 0.024 0.000 1.242 33 F HN 0.346 nan 8.300 nan 0.000 0.465 34 G N 3.191 111.694 108.800 -0.495 0.000 2.332 34 G HA2 0.542 4.502 3.960 0.000 0.000 0.310 34 G HA3 0.542 4.502 3.960 0.000 0.000 0.310 34 G C -1.177 173.441 174.900 -0.468 0.000 1.123 34 G CA -0.207 44.687 45.100 -0.345 0.000 0.873 34 G HN 0.882 nan 8.290 nan 0.000 0.460 35 S N -0.076 115.550 115.700 -0.125 0.000 2.618 35 S HA 0.717 5.188 4.470 0.000 0.000 0.277 35 S C -0.930 173.706 174.600 0.060 0.000 1.138 35 S CA -0.812 57.391 58.200 0.006 0.000 0.844 35 S CB 1.943 65.304 63.200 0.269 0.000 1.127 35 S HN 0.566 nan 8.310 nan 0.000 0.474 36 V N 1.580 121.542 119.914 0.081 0.000 2.472 36 V HA 0.762 4.882 4.120 0.000 0.000 0.290 36 V C -0.267 175.902 176.094 0.125 0.000 1.037 36 V CA -0.530 61.811 62.300 0.069 0.000 0.908 36 V CB 1.107 32.950 31.823 0.033 0.000 0.985 36 V HN 1.059 nan 8.190 nan 0.000 0.454 37 V N 3.139 123.107 119.914 0.089 0.000 2.760 37 V HA 0.725 4.845 4.120 0.000 0.000 0.309 37 V C -2.756 173.404 176.094 0.110 0.000 1.077 37 V CA -2.242 60.111 62.300 0.089 0.000 0.910 37 V CB 2.065 33.897 31.823 0.015 0.000 1.008 37 V HN 0.687 nan 8.190 nan 0.000 0.424 38 P HA 0.486 nan 4.420 nan 0.000 0.276 38 P C -1.580 175.831 177.300 0.185 0.000 1.244 38 P CA 0.083 63.197 63.100 0.022 0.000 0.801 38 P CB 0.836 32.345 31.700 -0.319 0.000 1.006 39 Y N -0.824 119.593 120.300 0.195 0.000 2.609 39 Y HA 0.643 5.193 4.550 0.000 0.000 0.336 39 Y C -0.874 175.222 175.900 0.327 0.000 1.129 39 Y CA -1.323 56.943 58.100 0.275 0.000 1.040 39 Y CB 0.369 38.928 38.460 0.165 0.000 1.310 39 Y HN 0.792 nan 8.280 nan 0.000 0.460 40 C N 1.204 120.665 119.300 0.267 0.000 3.161 40 C HA 0.890 5.350 4.460 0.000 0.000 0.330 40 C C -1.037 174.013 174.990 0.100 0.000 1.396 40 C CA -1.272 57.653 59.018 -0.155 0.000 1.536 40 C CB 1.193 28.443 27.740 -0.816 0.000 1.978 40 C HN 1.049 nan 8.230 nan 0.000 0.454 41 L N 2.153 123.341 121.223 -0.058 0.000 2.334 41 L HA 0.476 4.817 4.340 0.000 0.000 0.275 41 L C 0.115 176.995 176.870 0.016 0.000 1.036 41 L CA -0.223 54.657 54.840 0.067 0.000 0.807 41 L CB 1.292 43.407 42.059 0.094 0.000 1.231 41 L HN 0.899 nan 8.230 nan 0.000 0.438 42 D N 1.650 122.081 120.400 0.052 0.000 2.447 42 D HA 0.177 4.817 4.640 0.000 0.000 0.265 42 D C 1.067 177.391 176.300 0.040 0.000 1.250 42 D CA -0.122 53.896 54.000 0.030 0.000 1.046 42 D CB 0.765 41.580 40.800 0.025 0.000 1.095 42 D HN 0.515 nan 8.370 nan 0.000 0.555 43 A N -0.365 122.474 122.820 0.031 0.000 1.997 43 A HA -0.219 4.101 4.320 0.000 0.000 0.221 43 A C 1.624 179.226 177.584 0.029 0.000 1.172 43 A CA 1.562 53.619 52.037 0.034 0.000 0.645 43 A CB -0.660 18.353 19.000 0.022 0.000 0.813 43 A HN 0.603 nan 8.150 nan 0.000 0.454 44 E N -1.337 118.883 120.200 0.033 0.000 2.479 44 E HA 0.246 4.596 4.350 0.000 0.000 0.193 44 E C 1.088 177.719 176.600 0.051 0.000 1.049 44 E CA 0.610 57.031 56.400 0.036 0.000 0.870 44 E CB -0.320 29.404 29.700 0.040 0.000 0.944 44 E HN 0.917 nan 8.360 nan 0.000 0.492 45 G N 2.213 111.048 108.800 0.059 0.000 2.137 45 G HA2 -0.304 3.656 3.960 0.000 0.000 0.237 45 G HA3 -0.304 3.656 3.960 0.000 0.000 0.237 45 G C 0.040 175.005 174.900 0.107 0.000 1.002 45 G CA 0.025 45.165 45.100 0.066 0.000 0.702 45 G HN 0.217 nan 8.290 nan 0.000 0.515 46 R N 0.134 120.703 120.500 0.116 0.000 2.540 46 R HA 0.526 4.866 4.340 0.000 0.000 0.287 46 R C -2.690 173.690 176.300 0.133 0.000 0.980 46 R CA -2.154 54.033 56.100 0.144 0.000 0.966 46 R CB 1.149 31.517 30.300 0.113 0.000 1.106 46 R HN 0.032 nan 8.270 nan 0.000 0.480 47 P HA -0.032 nan 4.420 nan 0.000 0.267 47 P C -1.186 176.204 177.300 0.149 0.000 1.205 47 P CA -0.064 63.105 63.100 0.114 0.000 0.765 47 P CB 0.512 32.160 31.700 -0.087 0.000 0.828 48 L N 5.912 127.278 121.223 0.239 0.000 2.356 48 L HA 0.614 4.954 4.340 0.000 0.000 0.277 48 L C -0.749 176.329 176.870 0.346 0.000 0.996 48 L CA -0.656 54.335 54.840 0.252 0.000 0.822 48 L CB 0.781 42.971 42.059 0.219 0.000 1.256 48 L HN 0.293 nan 8.230 nan 0.000 0.413 49 I N 1.974 122.698 120.570 0.257 0.000 2.846 49 I HA 0.655 4.825 4.170 0.000 0.000 0.307 49 I C -1.569 174.542 176.117 -0.011 0.000 1.053 49 I CA -1.176 60.223 61.300 0.165 0.000 1.050 49 I CB 2.203 40.246 38.000 0.073 0.000 1.239 49 I HN 0.596 nan 8.210 nan 0.000 0.439 50 L N 6.257 127.349 121.223 -0.219 0.000 2.345 50 L HA 0.654 4.994 4.340 0.000 0.000 0.274 50 L C -0.767 176.158 176.870 0.091 0.000 0.999 50 L CA -0.351 54.274 54.840 -0.358 0.000 0.849 50 L CB 1.146 42.677 42.059 -0.880 0.000 1.220 50 L HN 0.685 nan 8.230 nan 0.000 0.422 51 I N 0.823 121.475 120.570 0.136 0.000 2.689 51 I HA 0.668 4.839 4.170 0.000 0.000 0.299 51 I C -0.203 175.849 176.117 -0.108 0.000 1.059 51 I CA -0.750 60.604 61.300 0.090 0.000 1.055 51 I CB 2.167 40.064 38.000 -0.172 0.000 1.243 51 I HN 0.518 nan 8.210 nan 0.000 0.425 52 S N 3.340 118.766 115.700 -0.457 0.000 2.565 52 S HA 0.352 4.822 4.470 0.000 0.000 0.274 52 S C 0.981 175.356 174.600 -0.374 0.000 1.309 52 S CA -0.459 57.189 58.200 -0.921 0.000 1.043 52 S CB 1.028 63.597 63.200 -1.050 0.000 0.939 52 S HN 0.787 nan 8.310 nan 0.000 0.504 53 R N 2.005 122.328 120.500 -0.296 0.000 2.237 53 R HA -0.024 4.316 4.340 0.000 0.000 0.219 53 R C 1.440 177.648 176.300 -0.155 0.000 1.080 53 R CA 1.573 57.570 56.100 -0.172 0.000 0.995 53 R CB -0.518 29.720 30.300 -0.103 0.000 0.875 53 R HN 0.836 nan 8.270 nan 0.000 0.462 54 I N -3.613 116.894 120.570 -0.106 0.000 3.956 54 I HA 0.300 4.470 4.170 0.000 0.000 0.333 54 I C 0.511 176.653 176.117 0.041 0.000 1.302 54 I CA -0.378 60.949 61.300 0.045 0.000 1.122 54 I CB 0.414 38.409 38.000 -0.008 0.000 1.013 54 I HN -0.212 nan 8.210 nan 0.000 0.405 55 A N 1.436 124.221 122.820 -0.058 0.000 2.477 55 A HA 0.201 4.521 4.320 0.000 0.000 0.246 55 A C 1.282 178.825 177.584 -0.069 0.000 1.078 55 A CA -0.210 51.749 52.037 -0.130 0.000 0.770 55 A CB 0.371 19.251 19.000 -0.200 0.000 1.011 55 A HN 0.392 nan 8.150 nan 0.000 0.494 56 Q N 1.322 120.998 119.800 -0.208 0.000 2.062 56 Q HA -0.243 4.098 4.340 0.000 0.000 0.209 56 Q C 1.848 177.723 176.000 -0.207 0.000 0.996 56 Q CA 2.658 58.270 55.803 -0.319 0.000 0.859 56 Q CB -0.672 27.609 28.738 -0.762 0.000 0.920 56 Q HN 1.086 nan 8.270 nan 0.000 0.415 57 H N -1.719 117.290 119.070 -0.101 0.000 2.457 57 H HA -0.002 4.554 4.556 0.000 0.000 0.297 57 H C 1.479 176.678 175.328 -0.215 0.000 1.092 57 H CA 1.271 57.265 56.048 -0.091 0.000 1.309 57 H CB -0.137 29.618 29.762 -0.013 0.000 1.382 57 H HN 0.094 nan 8.280 nan 0.000 0.535 58 T N 0.463 115.051 114.554 0.057 0.000 2.770 58 T HA -0.097 4.253 4.350 0.000 0.000 0.263 58 T C 1.563 176.149 174.700 -0.189 0.000 1.039 58 T CA 1.398 63.367 62.100 -0.218 0.000 1.142 58 T CB -0.425 68.339 68.868 -0.173 0.000 0.868 58 T HN 0.547 nan 8.240 nan 0.000 0.435 59 H N 1.593 120.604 119.070 -0.098 0.000 2.353 59 H HA -0.044 4.512 4.556 0.000 0.000 0.298 59 H C 2.382 177.675 175.328 -0.058 0.000 1.103 59 H CA 1.586 57.593 56.048 -0.067 0.000 1.293 59 H CB -0.095 29.612 29.762 -0.092 0.000 1.372 59 H HN 0.199 nan 8.280 nan 0.000 0.501 60 N N 0.169 118.889 118.700 0.033 0.000 2.142 60 N HA -0.095 4.645 4.740 0.000 0.000 0.186 60 N C 1.871 177.395 175.510 0.023 0.000 1.023 60 N CA 0.830 53.898 53.050 0.030 0.000 0.852 60 N CB -0.290 38.210 38.487 0.022 0.000 0.998 60 N HN 0.326 nan 8.380 nan 0.000 0.424 61 L N 0.927 122.102 121.223 -0.080 0.000 2.156 61 L HA -0.088 4.252 4.340 0.000 0.000 0.208 61 L C 2.275 179.190 176.870 0.075 0.000 1.095 61 L CA 0.828 55.606 54.840 -0.103 0.000 0.770 61 L CB -0.387 41.384 42.059 -0.480 0.000 0.914 61 L HN 0.160 nan 8.230 nan 0.000 0.439 62 Q N -0.069 119.787 119.800 0.094 0.000 2.096 62 Q HA -0.221 4.119 4.340 0.000 0.000 0.204 62 Q C 2.358 178.435 176.000 0.128 0.000 0.982 62 Q CA 1.928 57.856 55.803 0.209 0.000 0.850 62 Q CB -0.222 28.595 28.738 0.131 0.000 0.901 62 Q HN 0.575 nan 8.270 nan 0.000 0.422 63 A N -0.011 122.861 122.820 0.087 0.000 1.935 63 A HA -0.049 4.272 4.320 0.000 0.000 0.214 63 A C 0.563 178.174 177.584 0.046 0.000 1.178 63 A CA 0.762 52.836 52.037 0.061 0.000 0.640 63 A CB 0.501 19.532 19.000 0.051 0.000 0.825 63 A HN 0.215 nan 8.150 nan 0.000 0.447 64 D N -1.863 118.575 120.400 0.063 0.000 2.478 64 D HA 0.260 4.900 4.640 0.000 0.000 0.240 64 D C -2.511 173.852 176.300 0.105 0.000 1.364 64 D CA -1.493 52.536 54.000 0.048 0.000 0.987 64 D CB 1.712 42.492 40.800 -0.034 0.000 1.328 64 D HN -0.060 nan 8.370 nan 0.000 0.584 65 P HA -0.026 nan 4.420 nan 0.000 0.230 65 P C 0.074 177.438 177.300 0.107 0.000 1.158 65 P CA 0.210 63.388 63.100 0.130 0.000 0.769 65 P CB 0.277 32.060 31.700 0.138 0.000 0.807 66 R N 0.484 121.057 120.500 0.123 0.000 2.401 66 R HA 0.303 4.643 4.340 0.000 0.000 0.299 66 R C 0.504 176.881 176.300 0.128 0.000 1.064 66 R CA -0.017 56.162 56.100 0.131 0.000 1.000 66 R CB -0.122 30.281 30.300 0.172 0.000 0.973 66 R HN 0.295 nan 8.270 nan 0.000 0.438 67 C N -0.443 118.878 119.300 0.035 0.000 3.320 67 C HA 0.786 5.246 4.460 0.000 0.000 0.335 67 C C -0.521 174.436 174.990 -0.055 0.000 1.430 67 C CA -1.080 57.924 59.018 -0.023 0.000 1.271 67 C CB 1.622 29.345 27.740 -0.029 0.000 1.609 67 C HN 0.873 nan 8.230 nan 0.000 0.457 68 S N 0.702 116.360 115.700 -0.070 0.000 2.599 68 S HA 0.797 5.267 4.470 0.000 0.000 0.287 68 S C -1.057 173.490 174.600 -0.089 0.000 1.105 68 S CA -0.530 57.620 58.200 -0.083 0.000 0.899 68 S CB 1.761 64.924 63.200 -0.060 0.000 1.100 68 S HN 1.171 nan 8.310 nan 0.000 0.482 69 M N 2.596 122.130 119.600 -0.110 0.000 2.311 69 M HA 0.562 5.042 4.480 0.000 0.000 0.325 69 M C -1.991 174.265 176.300 -0.073 0.000 1.061 69 M CA -1.089 54.148 55.300 -0.105 0.000 0.957 69 M CB 1.543 34.044 32.600 -0.165 0.000 1.646 69 M HN 0.802 nan 8.290 nan 0.000 0.434 70 L N 6.796 127.989 121.223 -0.050 0.000 2.287 70 L HA 0.761 5.101 4.340 0.000 0.000 0.287 70 L C -1.523 175.343 176.870 -0.006 0.000 1.022 70 L CA -0.456 54.367 54.840 -0.029 0.000 0.814 70 L CB 1.624 43.662 42.059 -0.034 0.000 1.217 70 L HN 0.528 nan 8.230 nan 0.000 0.420 71 V N 4.763 124.689 119.914 0.021 0.000 2.709 71 V HA 0.986 5.107 4.120 0.000 0.000 0.308 71 V C -0.123 176.009 176.094 0.062 0.000 1.062 71 V CA 0.259 62.596 62.300 0.060 0.000 0.901 71 V CB 1.620 33.507 31.823 0.106 0.000 1.003 71 V HN 0.927 nan 8.190 nan 0.000 0.425 72 G N 3.417 112.250 108.800 0.055 0.000 2.471 72 G HA2 0.545 4.505 3.960 0.000 0.000 0.332 72 G HA3 0.545 4.505 3.960 0.000 0.000 0.332 72 G C -0.491 174.446 174.900 0.061 0.000 1.176 72 G CA -0.513 44.611 45.100 0.040 0.000 0.949 72 G HN 1.040 nan 8.290 nan 0.000 0.488 82 V N 1.203 121.103 119.914 -0.023 0.000 2.638 82 V HA 0.673 4.793 4.120 0.000 0.000 0.306 82 V C 0.920 176.982 176.094 -0.053 0.000 1.052 82 V CA 0.230 62.519 62.300 -0.019 0.000 0.885 82 V CB 1.895 33.711 31.823 -0.011 0.000 0.999 82 V HN 1.887 nan 8.190 nan 0.000 0.424 83 G N 4.205 112.979 108.800 -0.044 0.000 2.391 83 G HA2 0.372 4.332 3.960 0.000 0.000 0.234 83 G HA3 0.372 4.332 3.960 0.000 0.000 0.234 83 G C -0.362 174.475 174.900 -0.105 0.000 1.284 83 G CA 0.175 45.202 45.100 -0.121 0.000 0.873 83 G HN 0.688 nan 8.290 nan 0.000 0.549 84 R N 0.505 120.868 120.500 -0.229 0.000 2.651 84 R HA 0.554 4.894 4.340 0.000 0.000 0.278 84 R C -1.489 174.755 176.300 -0.093 0.000 1.010 84 R CA -0.797 55.234 56.100 -0.115 0.000 0.896 84 R CB 1.809 32.037 30.300 -0.120 0.000 1.211 84 R HN 0.487 nan 8.270 nan 0.000 0.456 85 L N 1.803 123.058 121.223 0.054 0.000 2.381 85 L HA 0.626 4.966 4.340 0.000 0.000 0.274 85 L C -1.241 175.679 176.870 0.083 0.000 0.988 85 L CA 0.151 55.081 54.840 0.150 0.000 0.824 85 L CB 2.428 44.648 42.059 0.268 0.000 1.263 85 L HN 0.631 nan 8.230 nan 0.000 0.410 86 T N 5.914 120.497 114.554 0.047 0.000 2.771 86 T HA 0.559 4.909 4.350 0.000 0.000 0.281 86 T C -0.917 173.802 174.700 0.033 0.000 0.982 86 T CA -0.196 61.904 62.100 -0.002 0.000 0.978 86 T CB 1.126 69.942 68.868 -0.086 0.000 0.930 86 T HN 0.512 nan 8.240 nan 0.000 0.447 87 L N 5.130 126.310 121.223 -0.073 0.000 2.305 87 L HA 0.572 4.912 4.340 0.000 0.000 0.284 87 L C -1.114 175.582 176.870 -0.290 0.000 1.013 87 L CA -0.554 54.077 54.840 -0.347 0.000 0.819 87 L CB 0.586 42.311 42.059 -0.556 0.000 1.227 87 L HN 0.575 nan 8.230 nan 0.000 0.417 88 L N 5.817 126.864 121.223 -0.293 0.000 2.275 88 L HA 0.853 5.193 4.340 0.000 0.000 0.288 88 L C 0.037 176.759 176.870 -0.246 0.000 1.046 88 L CA -0.429 54.307 54.840 -0.174 0.000 0.805 88 L CB 1.172 43.205 42.059 -0.045 0.000 1.193 88 L HN 0.852 nan 8.230 nan 0.000 0.426 89 A N 3.270 125.993 122.820 -0.163 0.000 2.587 89 A HA 0.630 4.950 4.320 0.000 0.000 0.293 89 A C -1.133 176.420 177.584 -0.051 0.000 1.087 89 A CA -0.665 51.285 52.037 -0.145 0.000 0.692 89 A CB 1.651 20.546 19.000 -0.175 0.000 1.291 89 A HN 0.702 nan 8.150 nan 0.000 0.407 90 E N 0.958 121.145 120.200 -0.022 0.000 2.113 90 E HA 0.514 4.865 4.350 0.000 0.000 0.273 90 E C -0.094 176.545 176.600 0.066 0.000 0.924 90 E CA -0.522 55.896 56.400 0.030 0.000 0.764 90 E CB 1.806 31.525 29.700 0.032 0.000 1.104 90 E HN 0.811 nan 8.360 nan 0.000 0.406 91 A N 4.257 127.148 122.820 0.118 0.000 2.388 91 A HA 0.382 4.702 4.320 0.000 0.000 0.257 91 A C 0.016 177.799 177.584 0.333 0.000 1.095 91 A CA -0.122 52.056 52.037 0.235 0.000 0.791 91 A CB 0.485 19.628 19.000 0.239 0.000 1.029 91 A HN 0.655 nan 8.150 nan 0.000 0.489 92 R N 1.654 122.330 120.500 0.293 0.000 2.575 92 R HA 0.312 4.652 4.340 0.000 0.000 0.293 92 R C -0.710 175.440 176.300 -0.249 0.000 0.983 92 R CA -0.443 55.678 56.100 0.035 0.000 0.887 92 R CB 1.261 31.554 30.300 -0.012 0.000 1.184 92 R HN 0.926 nan 8.270 nan 0.000 0.445 93 Q N 4.892 124.131 119.800 -0.935 0.000 2.296 93 Q HA 0.175 4.515 4.340 0.000 0.000 0.262 93 Q C -0.534 175.152 176.000 -0.524 0.000 0.981 93 Q CA -0.329 54.699 55.803 -1.292 0.000 0.905 93 Q CB 0.829 28.553 28.738 -1.690 0.000 1.186 93 Q HN 0.575 nan 8.270 nan 0.000 0.399 94 L N 3.178 124.209 121.223 -0.320 0.000 2.490 94 L HA 0.128 4.468 4.340 0.000 0.000 0.274 94 L C 0.537 177.332 176.870 -0.124 0.000 1.201 94 L CA -0.347 54.406 54.840 -0.145 0.000 0.869 94 L CB 0.307 42.333 42.059 -0.055 0.000 1.123 94 L HN 0.749 nan 8.230 nan 0.000 0.484 95 A N 2.358 125.124 122.820 -0.091 0.000 2.425 95 A HA 0.037 4.357 4.320 0.000 0.000 0.242 95 A C 1.226 178.793 177.584 -0.028 0.000 1.077 95 A CA -0.250 51.750 52.037 -0.061 0.000 0.781 95 A CB 0.390 19.361 19.000 -0.048 0.000 1.020 95 A HN 0.853 nan 8.150 nan 0.000 0.494 96 E N 0.708 120.903 120.200 -0.009 0.000 2.169 96 E HA -0.270 4.080 4.350 0.000 0.000 0.202 96 E C 1.513 178.124 176.600 0.018 0.000 1.016 96 E CA 2.564 58.976 56.400 0.020 0.000 0.817 96 E CB -0.304 29.410 29.700 0.023 0.000 0.736 96 E HN 0.842 nan 8.360 nan 0.000 0.462 97 E N -0.139 120.063 120.200 0.002 0.000 2.274 97 E HA -0.109 4.242 4.350 0.000 0.000 0.194 97 E C 1.717 178.308 176.600 -0.013 0.000 0.996 97 E CA 1.193 57.593 56.400 -0.000 0.000 0.840 97 E CB -0.145 29.553 29.700 -0.003 0.000 0.772 97 E HN 0.397 nan 8.360 nan 0.000 0.491 98 E N 0.541 120.724 120.200 -0.028 0.000 2.442 98 E HA -0.002 4.348 4.350 0.000 0.000 0.195 98 E C 1.720 178.262 176.600 -0.098 0.000 1.030 98 E CA 0.152 56.519 56.400 -0.055 0.000 0.869 98 E CB 0.391 30.057 29.700 -0.058 0.000 0.857 98 E HN 0.100 nan 8.360 nan 0.000 0.505 99 V N 1.310 121.184 119.914 -0.067 0.000 2.379 99 V HA -0.224 3.896 4.120 0.000 0.000 0.245 99 V C 2.374 178.359 176.094 -0.183 0.000 1.044 99 V CA 1.804 64.042 62.300 -0.104 0.000 1.036 99 V CB -0.551 31.314 31.823 0.072 0.000 0.664 99 V HN 0.297 nan 8.190 nan 0.000 0.453 100 A N 0.177 122.960 122.820 -0.062 0.000 1.917 100 A HA -0.207 4.113 4.320 0.000 0.000 0.219 100 A C 2.378 179.902 177.584 -0.101 0.000 1.182 100 A CA 2.466 54.482 52.037 -0.034 0.000 0.633 100 A CB -0.746 18.266 19.000 0.020 0.000 0.819 100 A HN 0.584 nan 8.150 nan 0.000 0.448 101 A N -0.594 122.154 122.820 -0.120 0.000 1.930 101 A HA 0.319 4.639 4.320 0.000 0.000 0.215 101 A C 2.496 179.956 177.584 -0.207 0.000 1.176 101 A CA 1.677 53.648 52.037 -0.110 0.000 0.632 101 A CB -0.997 17.962 19.000 -0.068 0.000 0.819 101 A HN 1.036 nan 8.150 nan 0.000 0.445 102 A N 0.371 122.970 122.820 -0.369 0.000 1.859 102 A HA 0.033 4.353 4.320 0.000 0.000 0.217 102 A C 2.550 179.613 177.584 -0.867 0.000 1.198 102 A CA 2.603 54.240 52.037 -0.667 0.000 0.629 102 A CB -1.277 17.092 19.000 -1.052 0.000 0.830 102 A HN 1.140 nan 8.150 nan 0.000 0.446 103 A N -0.878 121.340 122.820 -1.002 0.000 1.908 103 A HA -0.226 4.095 4.320 0.000 0.000 0.218 103 A C 2.104 179.508 177.584 -0.300 0.000 1.181 103 A CA 2.015 53.575 52.037 -0.796 0.000 0.627 103 A CB -0.543 18.212 19.000 -0.408 0.000 0.818 103 A HN 0.580 nan 8.150 nan 0.000 0.445 104 E N -0.059 120.079 120.200 -0.105 0.000 2.077 104 E HA -0.217 4.133 4.350 0.000 0.000 0.193 104 E C 2.253 178.904 176.600 0.085 0.000 0.989 104 E CA 1.444 57.881 56.400 0.061 0.000 0.800 104 E CB -0.227 29.504 29.700 0.051 0.000 0.746 104 E HN 0.646 nan 8.360 nan 0.000 0.452 105 R N -1.074 119.443 120.500 0.029 0.000 2.062 105 R HA -0.132 4.208 4.340 0.000 0.000 0.226 105 R C 2.494 178.909 176.300 0.191 0.000 1.125 105 R CA 1.151 57.321 56.100 0.118 0.000 0.966 105 R CB -0.483 29.860 30.300 0.072 0.000 0.861 105 R HN 0.164 nan 8.270 nan 0.000 0.433 106 Y N 0.096 120.367 120.300 -0.048 0.000 2.165 106 Y HA -0.276 4.275 4.550 0.000 0.000 0.286 106 Y C 1.529 177.587 175.900 0.263 0.000 1.155 106 Y CA 1.766 59.923 58.100 0.096 0.000 1.164 106 Y CB -0.196 38.297 38.460 0.056 0.000 0.978 106 Y HN 0.135 nan 8.280 nan 0.000 0.513 107 Y N -0.160 120.386 120.300 0.410 0.000 2.497 107 Y HA -0.081 4.469 4.550 0.000 0.000 0.292 107 Y C 2.460 178.430 175.900 0.116 0.000 1.137 107 Y CA 0.748 59.012 58.100 0.274 0.000 1.285 107 Y CB -0.660 37.955 38.460 0.257 0.000 0.991 107 Y HN 0.104 nan 8.280 nan 0.000 0.556 108 R N -1.468 119.171 120.500 0.231 0.000 2.090 108 R HA -0.141 4.199 4.340 0.000 0.000 0.228 108 R C 1.633 177.848 176.300 -0.143 0.000 1.110 108 R CA 1.236 57.371 56.100 0.059 0.000 0.973 108 R CB -0.318 30.020 30.300 0.064 0.000 0.869 108 R HN 0.319 nan 8.270 nan 0.000 0.440 109 Y N -1.077 119.049 120.300 -0.289 0.000 2.286 109 Y HA -0.036 4.514 4.550 0.000 0.000 0.293 109 Y C 0.463 175.759 175.900 -1.007 0.000 1.124 109 Y CA 0.970 58.634 58.100 -0.728 0.000 1.178 109 Y CB 0.357 38.227 38.460 -0.983 0.000 1.010 109 Y HN -0.116 nan 8.280 nan 0.000 0.536 110 F N 0.137 120.041 119.950 -0.076 0.000 2.622 110 F HA 0.349 4.876 4.527 0.000 0.000 0.338 110 F C -1.936 173.891 175.800 0.045 0.000 1.334 110 F CA -2.308 55.646 58.000 -0.078 0.000 1.179 110 F CB 0.872 39.748 39.000 -0.207 0.000 1.471 110 F HN -0.152 nan 8.300 nan 0.000 0.576 111 P HA -0.183 nan 4.420 nan 0.000 0.218 111 P C 0.949 178.252 177.300 0.005 0.000 1.148 111 P CA 1.511 64.649 63.100 0.064 0.000 0.822 111 P CB 0.313 32.020 31.700 0.012 0.000 0.784 112 E N -0.388 119.817 120.200 0.009 0.000 2.409 112 E HA -0.034 4.316 4.350 0.000 0.000 0.198 112 E C 1.520 177.968 176.600 -0.253 0.000 1.024 112 E CA 0.609 56.978 56.400 -0.051 0.000 0.861 112 E CB -0.317 29.385 29.700 0.004 0.000 0.788 112 E HN 0.260 nan 8.360 nan 0.000 0.521 113 S N 0.626 116.160 115.700 -0.277 0.000 2.558 113 S HA 0.145 4.615 4.470 0.000 0.000 0.217 113 S C 0.726 174.917 174.600 -0.682 0.000 0.975 113 S CA -0.111 57.658 58.200 -0.719 0.000 0.912 113 S CB 0.246 63.419 63.200 -0.045 0.000 0.776 113 S HN 0.289 nan 8.310 nan 0.000 0.526 114 A N 1.631 124.112 122.820 -0.566 0.000 2.587 114 A HA 0.133 4.453 4.320 0.000 0.000 0.235 114 A C 0.769 178.067 177.584 -0.477 0.000 1.044 114 A CA 0.512 52.002 52.037 -0.911 0.000 0.754 114 A CB -0.470 18.279 19.000 -0.418 0.000 0.968 114 A HN 0.460 nan 8.150 nan 0.000 0.509 115 D N -0.606 119.507 120.400 -0.478 0.000 2.880 115 D HA -0.245 4.395 4.640 0.000 0.000 0.198 115 D C 0.423 176.808 176.300 0.141 0.000 1.059 115 D CA 2.002 55.987 54.000 -0.025 0.000 1.019 115 D CB -1.237 39.533 40.800 -0.051 0.000 1.112 115 D HN 0.672 nan 8.370 nan 0.000 0.424 116 Y N 0.396 120.728 120.300 0.053 0.000 2.181 116 Y HA -0.271 4.279 4.550 0.000 0.000 0.284 116 Y C 2.529 178.536 175.900 0.177 0.000 1.179 116 Y CA 1.938 60.117 58.100 0.132 0.000 1.179 116 Y CB -0.938 37.410 38.460 -0.187 0.000 0.973 116 Y HN 0.587 nan 8.280 nan 0.000 0.519 117 H N -0.722 118.545 119.070 0.327 0.000 2.457 117 H HA 0.000 4.557 4.556 0.000 0.000 0.294 117 H C 1.910 177.359 175.328 0.202 0.000 1.064 117 H CA 1.383 57.568 56.048 0.229 0.000 1.330 117 H CB -0.212 29.656 29.762 0.177 0.000 1.395 117 H HN 0.305 nan 8.280 nan 0.000 0.541 118 R N 0.160 120.414 120.500 -0.410 0.000 2.062 118 R HA 0.061 4.401 4.340 0.000 0.000 0.218 118 R C 2.632 178.839 176.300 -0.156 0.000 1.161 118 R CA 0.988 56.901 56.100 -0.311 0.000 0.994 118 R CB -0.128 29.952 30.300 -0.366 0.000 0.888 118 R HN 0.198 nan 8.270 nan 0.000 0.442 119 V N 1.604 121.387 119.914 -0.219 0.000 2.535 119 V HA -0.011 4.109 4.120 0.000 0.000 0.246 119 V C 0.600 176.479 176.094 -0.358 0.000 1.045 119 V CA 1.072 63.179 62.300 -0.322 0.000 1.058 119 V CB -0.097 31.454 31.823 -0.452 0.000 0.689 119 V HN 0.222 nan 8.190 nan 0.000 0.461 120 H N -0.064 119.016 119.070 0.017 0.000 2.523 120 H HA 0.406 4.962 4.556 0.000 0.000 0.345 120 H C -0.781 174.658 175.328 0.185 0.000 1.261 120 H CA -0.544 55.549 56.048 0.075 0.000 1.343 120 H CB 0.682 30.454 29.762 0.017 0.000 1.650 120 H HN 0.166 nan 8.280 nan 0.000 0.591 121 D N 1.043 121.611 120.400 0.279 0.000 3.057 121 D HA 0.177 4.818 4.640 0.000 0.000 0.246 121 D C -0.752 175.573 176.300 0.041 0.000 1.238 121 D CA 0.154 54.221 54.000 0.112 0.000 0.949 121 D CB -0.986 39.815 40.800 0.002 0.000 1.086 121 D HN 0.160 nan 8.370 nan 0.000 0.487 122 F N 0.580 120.582 119.950 0.086 0.000 2.492 122 F HA 0.419 4.946 4.527 0.000 0.000 0.327 122 F C 0.697 176.519 175.800 0.037 0.000 1.079 122 F CA -0.758 57.282 58.000 0.067 0.000 0.967 122 F CB 1.669 40.725 39.000 0.092 0.000 1.169 122 F HN -0.166 nan 8.300 nan 0.000 0.472 123 D N 1.208 121.723 120.400 0.191 0.000 2.645 123 D HA 0.305 4.945 4.640 0.000 0.000 0.228 123 D C -1.196 175.135 176.300 0.051 0.000 1.148 123 D CA -0.354 53.716 54.000 0.116 0.000 0.860 123 D CB 2.377 43.286 40.800 0.182 0.000 1.548 123 D HN 0.151 nan 8.370 nan 0.000 0.460 124 F N 0.475 120.498 119.950 0.121 0.000 2.396 124 F HA 0.352 4.879 4.527 0.000 0.000 0.343 124 F C -0.021 175.823 175.800 0.073 0.000 1.104 124 F CA -0.233 57.800 58.000 0.055 0.000 1.161 124 F CB 0.842 39.778 39.000 -0.106 0.000 1.146 124 F HN 0.139 nan 8.300 nan 0.000 0.522 125 W N 2.699 124.066 121.300 0.111 0.000 2.950 125 W HA 0.678 5.338 4.660 0.000 0.000 0.340 125 W C -1.258 175.293 176.519 0.053 0.000 1.139 125 W CA -1.059 56.319 57.345 0.055 0.000 1.188 125 W CB 1.377 30.839 29.460 0.002 0.000 1.426 125 W HN 0.214 nan 8.180 nan 0.000 0.531 126 V N 4.248 124.309 119.914 0.245 0.000 2.628 126 V HA 0.563 4.683 4.120 0.000 0.000 0.306 126 V C -0.780 175.398 176.094 0.140 0.000 1.045 126 V CA -1.104 61.289 62.300 0.154 0.000 0.905 126 V CB 1.466 33.339 31.823 0.084 0.000 0.997 126 V HN 0.426 nan 8.190 nan 0.000 0.436 127 L N 6.696 127.969 121.223 0.083 0.000 2.268 127 L HA 0.471 4.811 4.340 0.000 0.000 0.289 127 L C -0.021 176.848 176.870 -0.001 0.000 1.064 127 L CA -0.231 54.624 54.840 0.024 0.000 0.824 127 L CB 0.997 43.029 42.059 -0.046 0.000 1.202 127 L HN 0.678 nan 8.230 nan 0.000 0.433 128 Q N 5.011 124.813 119.800 0.003 0.000 2.323 128 Q HA 0.255 4.595 4.340 0.000 0.000 0.257 128 Q C -2.256 173.704 176.000 -0.067 0.000 1.022 128 Q CA -1.961 53.840 55.803 -0.005 0.000 0.919 128 Q CB 0.583 29.329 28.738 0.014 0.000 1.220 128 Q HN 0.337 nan 8.270 nan 0.000 0.427 129 P HA -0.142 nan 4.420 nan 0.000 0.264 129 P C 0.134 177.347 177.300 -0.145 0.000 1.193 129 P CA 0.272 63.228 63.100 -0.239 0.000 0.763 129 P CB 0.852 32.494 31.700 -0.098 0.000 0.810 130 V N 1.889 121.683 119.914 -0.200 0.000 3.307 130 V HA 0.274 4.394 4.120 0.000 0.000 0.244 130 V C 0.151 176.209 176.094 -0.060 0.000 1.196 130 V CA 1.175 63.422 62.300 -0.088 0.000 1.132 130 V CB 0.258 32.054 31.823 -0.045 0.000 0.875 130 V HN 0.465 nan 8.190 nan 0.000 0.468 131 Q N -1.135 118.568 119.800 -0.162 0.000 2.594 131 Q HA 0.479 4.819 4.340 0.000 0.000 0.278 131 Q C -2.458 173.472 176.000 -0.117 0.000 0.961 131 Q CA -0.360 55.455 55.803 0.021 0.000 0.844 131 Q CB 1.702 30.558 28.738 0.198 0.000 1.475 131 Q HN 0.484 nan 8.270 nan 0.000 0.389 132 W N 1.593 122.997 121.300 0.174 0.000 2.844 132 W HA 0.735 5.395 4.660 -0.000 0.000 0.340 132 W C -0.562 175.950 176.519 -0.012 0.000 1.093 132 W CA -0.670 56.721 57.345 0.076 0.000 1.212 132 W CB 1.743 31.230 29.460 0.045 0.000 1.422 132 W HN 0.443 nan 8.180 nan 0.000 0.515 133 R N 2.786 123.295 120.500 0.015 0.000 2.473 133 R HA 0.421 4.761 4.340 0.000 0.000 0.303 133 R C -1.841 174.398 176.300 -0.102 0.000 1.002 133 R CA -0.731 55.145 56.100 -0.373 0.000 0.884 133 R CB 0.912 30.498 30.300 -1.190 0.000 1.173 133 R HN 0.526 nan 8.270 nan 0.000 0.464 134 F N 6.323 126.187 119.950 -0.143 0.000 2.420 134 F HA 0.532 5.059 4.527 0.000 0.000 0.342 134 F C -0.863 174.901 175.800 -0.061 0.000 1.113 134 F CA -0.743 57.217 58.000 -0.067 0.000 1.059 134 F CB 0.861 39.845 39.000 -0.027 0.000 1.128 134 F HN 0.360 nan 8.300 nan 0.000 0.475 135 I N 6.075 126.159 120.570 -0.810 0.000 2.410 135 I HA 0.367 4.537 4.170 0.000 0.000 0.286 135 I C 0.607 176.183 176.117 -0.901 0.000 1.009 135 I CA -0.842 60.064 61.300 -0.656 0.000 1.111 135 I CB 1.392 39.166 38.000 -0.377 0.000 1.262 135 I HN 0.757 nan 8.210 nan 0.000 0.443 136 G N 3.212 111.647 108.800 -0.608 0.000 2.634 136 G HA2 0.278 4.238 3.960 0.000 0.000 0.255 136 G HA3 0.278 4.238 3.960 0.000 0.000 0.255 136 G C 1.084 175.908 174.900 -0.128 0.000 1.205 136 G CA 0.003 44.926 45.100 -0.295 0.000 0.884 136 G HN 0.839 nan 8.290 nan 0.000 0.549 137 G N -0.456 108.336 108.800 -0.014 0.000 2.485 137 G HA2 -0.243 3.717 3.960 0.000 0.000 0.221 137 G HA3 -0.243 3.717 3.960 0.000 0.000 0.221 137 G C 1.327 176.291 174.900 0.107 0.000 1.115 137 G CA 0.834 45.953 45.100 0.032 0.000 0.751 137 G HN 0.436 nan 8.290 nan 0.000 0.567 138 F N 1.244 121.174 119.950 -0.032 0.000 2.710 138 F HA 0.322 4.849 4.527 0.000 0.000 0.298 138 F C 1.933 177.707 175.800 -0.043 0.000 1.137 138 F CA 0.453 58.440 58.000 -0.023 0.000 1.444 138 F CB 0.294 39.295 39.000 0.002 0.000 1.111 138 F HN 0.260 nan 8.300 nan 0.000 0.580 139 G N 0.279 109.003 108.800 -0.127 0.000 2.176 139 G HA2 -0.139 3.821 3.960 0.000 0.000 0.232 139 G HA3 -0.139 3.821 3.960 0.000 0.000 0.232 139 G C 0.446 175.218 174.900 -0.213 0.000 0.986 139 G CA -0.056 44.909 45.100 -0.224 0.000 0.643 139 G HN 0.800 nan 8.290 nan 0.000 0.522 140 A N 0.345 123.092 122.820 -0.121 0.000 2.522 140 A HA 0.579 4.899 4.320 0.000 0.000 0.256 140 A C 0.553 178.013 177.584 -0.207 0.000 1.086 140 A CA 0.394 52.363 52.037 -0.113 0.000 0.763 140 A CB 0.013 19.060 19.000 0.079 0.000 1.024 140 A HN 0.800 nan 8.150 nan 0.000 0.502 141 I N 3.950 124.349 120.570 -0.286 0.000 2.331 141 I HA 0.252 4.422 4.170 0.000 0.000 0.292 141 I C -0.194 175.706 176.117 -0.362 0.000 0.998 141 I CA -0.061 61.080 61.300 -0.265 0.000 1.267 141 I CB 0.747 38.650 38.000 -0.162 0.000 1.386 141 I HN 0.595 nan 8.210 nan 0.000 0.476 142 H N 5.367 124.424 119.070 -0.022 0.000 2.860 142 H HA 0.168 4.724 4.556 0.000 0.000 0.312 142 H C -1.298 174.059 175.328 0.048 0.000 0.995 142 H CA -0.700 55.398 56.048 0.085 0.000 1.311 142 H CB 0.874 30.732 29.762 0.160 0.000 1.478 142 H HN 0.535 nan 8.280 nan 0.000 0.508 143 W N 4.419 125.832 121.300 0.190 0.000 2.266 143 W HA 0.362 5.022 4.660 0.001 0.000 0.317 143 W C -0.115 176.512 176.519 0.179 0.000 1.310 143 W CA -0.267 57.179 57.345 0.168 0.000 1.207 143 W CB 0.647 30.171 29.460 0.105 0.000 1.199 143 W HN 0.331 nan 8.180 nan 0.000 0.544 144 L N 3.678 125.168 121.223 0.445 0.000 2.408 144 L HA 0.664 5.004 4.340 0.000 0.000 0.268 144 L C 0.406 177.500 176.870 0.374 0.000 0.986 144 L CA -1.383 53.651 54.840 0.323 0.000 0.820 144 L CB 1.387 43.566 42.059 0.200 0.000 1.303 144 L HN 0.472 nan 8.230 nan 0.000 0.411 145 A N 1.630 124.610 122.820 0.267 0.000 2.466 145 A HA 0.465 4.785 4.320 0.000 0.000 0.238 145 A C 1.420 179.204 177.584 0.334 0.000 1.074 145 A CA 0.557 52.737 52.037 0.239 0.000 0.774 145 A CB 0.385 19.475 19.000 0.150 0.000 1.015 145 A HN 1.023 nan 8.150 nan 0.000 0.498 146 A N 1.041 124.024 122.820 0.272 0.000 1.915 146 A HA -0.224 4.097 4.320 0.000 0.000 0.220 146 A C 1.531 179.367 177.584 0.421 0.000 1.198 146 A CA 2.438 54.662 52.037 0.312 0.000 0.647 146 A CB -0.721 18.362 19.000 0.138 0.000 0.825 146 A HN 0.877 nan 8.150 nan 0.000 0.456 147 E N -0.624 119.714 120.200 0.230 0.000 2.478 147 E HA 0.058 4.408 4.350 0.000 0.000 0.194 147 E C 1.820 178.469 176.600 0.082 0.000 1.045 147 E CA 0.111 56.603 56.400 0.153 0.000 0.868 147 E CB -0.111 29.645 29.700 0.093 0.000 0.885 147 E HN 0.433 nan 8.360 nan 0.000 0.505 148 R N 0.337 120.880 120.500 0.071 0.000 2.115 148 R HA 0.026 4.367 4.340 0.000 0.000 0.230 148 R C 1.794 177.978 176.300 -0.192 0.000 1.111 148 R CA 0.781 56.857 56.100 -0.040 0.000 0.976 148 R CB -0.307 29.986 30.300 -0.011 0.000 0.870 148 R HN 0.199 nan 8.270 nan 0.000 0.445 149 V N 0.977 120.666 119.914 -0.376 0.000 2.374 149 V HA 0.011 4.131 4.120 0.000 0.000 0.241 149 V C -1.752 174.076 176.094 -0.443 0.000 1.034 149 V CA 0.511 62.395 62.300 -0.694 0.000 1.037 149 V CB -0.921 29.849 31.823 -1.756 0.000 0.682 149 V HN 0.164 nan 8.190 nan 0.000 0.463 150 P HA 0.237 nan 4.420 nan 0.000 0.268 150 P C -0.931 176.328 177.300 -0.067 0.000 1.205 150 P CA 0.337 63.389 63.100 -0.079 0.000 0.771 150 P CB 0.566 32.322 31.700 0.093 0.000 0.858 151 L N 2.813 124.004 121.223 -0.055 0.000 2.349 151 L HA 0.656 4.996 4.340 0.000 0.000 0.278 151 L C -0.307 176.559 176.870 -0.007 0.000 0.996 151 L CA -0.960 53.860 54.840 -0.034 0.000 0.825 151 L CB 1.183 43.216 42.059 -0.043 0.000 1.243 151 L HN 0.432 nan 8.230 nan 0.000 0.412 152 A N 3.458 126.273 122.820 -0.008 0.000 2.531 152 A HA 0.237 4.558 4.320 0.000 0.000 0.236 152 A C 0.022 177.591 177.584 -0.025 0.000 1.062 152 A CA 0.056 52.087 52.037 -0.009 0.000 0.760 152 A CB -0.182 18.807 19.000 -0.018 0.000 0.995 152 A HN 0.764 nan 8.150 nan 0.000 0.501 153 N N 2.467 121.159 118.700 -0.013 0.000 2.546 153 N HA 0.320 5.060 4.740 0.000 0.000 0.238 153 N C -1.845 173.604 175.510 -0.100 0.000 0.984 153 N CA -2.284 50.748 53.050 -0.030 0.000 0.935 153 N CB 1.324 39.865 38.487 0.089 0.000 1.122 153 N HN 0.292 nan 8.380 nan 0.000 0.510 154 P HA -0.005 nan 4.420 nan 0.000 0.233 154 P C 0.562 177.757 177.300 -0.176 0.000 1.167 154 P CA 0.674 63.614 63.100 -0.267 0.000 0.770 154 P CB 0.040 31.511 31.700 -0.383 0.000 0.837 155 F N 0.649 120.652 119.950 0.089 0.000 2.664 155 F HA 0.278 4.805 4.527 0.001 0.000 0.296 155 F C 1.672 177.528 175.800 0.093 0.000 1.125 155 F CA -0.902 57.153 58.000 0.093 0.000 1.444 155 F CB -1.591 37.481 39.000 0.119 0.000 1.114 155 F HN -0.167 nan 8.300 nan 0.000 0.576 156 A N 0.798 123.752 122.820 0.223 0.000 2.567 156 A HA 0.425 4.745 4.320 0.000 0.000 0.240 156 A C 1.158 178.823 177.584 0.134 0.000 1.053 156 A CA 0.952 53.093 52.037 0.173 0.000 0.755 156 A CB -0.983 18.085 19.000 0.114 0.000 0.978 156 A HN 0.812 nan 8.150 nan 0.000 0.507 157 G N 1.499 110.375 108.800 0.127 0.000 2.501 157 G HA2 -0.158 3.802 3.960 0.000 0.000 0.213 157 G HA3 -0.158 3.802 3.960 0.000 0.000 0.213 157 G C 0.668 175.633 174.900 0.108 0.000 1.158 157 G CA 0.278 45.436 45.100 0.097 0.000 1.079 157 G HN 0.607 nan 8.290 nan 0.000 0.586 158 E N 0.510 120.766 120.200 0.094 0.000 2.110 158 E HA -0.009 4.341 4.350 0.000 0.000 0.193 158 E C 2.934 179.593 176.600 0.099 0.000 0.988 158 E CA 2.009 58.462 56.400 0.087 0.000 0.804 158 E CB -0.631 29.112 29.700 0.072 0.000 0.745 158 E HN 0.837 nan 8.360 nan 0.000 0.458 159 A N 1.112 124.006 122.820 0.123 0.000 1.873 159 A HA -0.195 4.125 4.320 0.000 0.000 0.215 159 A C 2.152 179.794 177.584 0.097 0.000 1.186 159 A CA 1.578 53.689 52.037 0.122 0.000 0.616 159 A CB -0.503 18.614 19.000 0.196 0.000 0.823 159 A HN 0.244 nan 8.150 nan 0.000 0.442 160 E N -0.486 119.804 120.200 0.151 0.000 2.058 160 E HA -0.266 4.084 4.350 0.000 0.000 0.194 160 E C 2.335 178.996 176.600 0.102 0.000 0.997 160 E CA 1.454 57.936 56.400 0.136 0.000 0.801 160 E CB -0.153 29.678 29.700 0.217 0.000 0.746 160 E HN 0.577 nan 8.360 nan 0.000 0.450 161 R N -0.274 120.288 120.500 0.103 0.000 2.073 161 R HA -0.124 4.216 4.340 0.000 0.000 0.234 161 R C 2.380 178.723 176.300 0.071 0.000 1.134 161 R CA 1.657 57.806 56.100 0.082 0.000 0.952 161 R CB -0.574 29.772 30.300 0.077 0.000 0.850 161 R HN 0.222 nan 8.270 nan 0.000 0.433 162 G N 0.768 109.622 108.800 0.090 0.000 2.418 162 G HA2 -0.272 3.688 3.960 0.000 0.000 0.217 162 G HA3 -0.272 3.688 3.960 0.000 0.000 0.217 162 G C 1.485 176.515 174.900 0.217 0.000 1.158 162 G CA 0.892 46.081 45.100 0.149 0.000 0.771 162 G HN 0.249 nan 8.290 nan 0.000 0.545 163 M N -0.128 119.536 119.600 0.107 0.000 2.067 163 M HA -0.079 4.401 4.480 0.000 0.000 0.260 163 M C 2.736 179.082 176.300 0.077 0.000 1.069 163 M CA 1.113 56.448 55.300 0.058 0.000 1.117 163 M CB -0.387 32.178 32.600 -0.058 0.000 1.334 163 M HN 0.124 nan 8.290 nan 0.000 0.407 164 V N 0.467 120.417 119.914 0.059 0.000 2.295 164 V HA -0.267 3.854 4.120 0.000 0.000 0.246 164 V C 2.038 178.152 176.094 0.034 0.000 1.049 164 V CA 1.964 64.292 62.300 0.046 0.000 1.024 164 V CB -0.735 31.112 31.823 0.039 0.000 0.648 164 V HN 0.488 nan 8.190 nan 0.000 0.447 165 E N -0.817 119.391 120.200 0.013 0.000 2.077 165 E HA -0.230 4.120 4.350 0.000 0.000 0.193 165 E C 2.138 178.681 176.600 -0.094 0.000 0.989 165 E CA 1.574 57.939 56.400 -0.059 0.000 0.800 165 E CB -0.213 29.422 29.700 -0.110 0.000 0.746 165 E HN 0.732 nan 8.360 nan 0.000 0.452 166 H N -0.289 118.785 119.070 0.006 0.000 2.353 166 H HA -0.082 4.474 4.556 0.000 0.000 0.300 166 H C 2.089 177.442 175.328 0.041 0.000 1.090 166 H CA 1.358 57.412 56.048 0.009 0.000 1.327 166 H CB 0.098 29.874 29.762 0.023 0.000 1.383 166 H HN 0.061 nan 8.280 nan 0.000 0.508 167 M N 0.441 120.153 119.600 0.188 0.000 2.080 167 M HA -0.177 4.303 4.480 0.000 0.000 0.260 167 M C 1.641 177.998 176.300 0.094 0.000 1.068 167 M CA 1.313 56.717 55.300 0.173 0.000 1.109 167 M CB -0.702 31.959 32.600 0.101 0.000 1.342 167 M HN 0.336 nan 8.290 nan 0.000 0.405 168 N N -0.236 118.488 118.700 0.041 0.000 2.244 168 N HA -0.096 4.644 4.740 0.000 0.000 0.183 168 N C 1.923 177.418 175.510 -0.025 0.000 1.016 168 N CA 1.402 54.456 53.050 0.006 0.000 0.866 168 N CB -0.369 38.114 38.487 -0.008 0.000 0.980 168 N HN 0.308 nan 8.380 nan 0.000 0.430 169 S N 0.265 115.938 115.700 -0.046 0.000 2.362 169 S HA -0.020 4.450 4.470 0.000 0.000 0.221 169 S C 0.822 175.359 174.600 -0.105 0.000 1.032 169 S CA 0.889 59.043 58.200 -0.076 0.000 0.973 169 S CB 0.090 63.227 63.200 -0.105 0.000 0.849 169 S HN 0.152 nan 8.310 nan 0.000 0.465 170 D N -0.711 119.596 120.400 -0.155 0.000 2.441 170 D HA 0.193 4.833 4.640 0.000 0.000 0.210 170 D C -0.027 175.927 176.300 -0.577 0.000 1.102 170 D CA 0.249 54.039 54.000 -0.349 0.000 0.840 170 D CB 0.225 40.766 40.800 -0.433 0.000 0.990 170 D HN 0.459 nan 8.370 nan 0.000 0.505 171 H N -0.277 118.776 119.070 -0.027 0.000 2.767 171 H HA 0.416 4.973 4.556 0.000 0.000 0.235 171 H C 1.229 176.511 175.328 -0.077 0.000 1.256 171 H CA -0.288 55.727 56.048 -0.056 0.000 0.957 171 H CB 0.638 30.366 29.762 -0.055 0.000 2.117 171 H HN -0.019 nan 8.280 nan 0.000 0.602 172 A N 1.045 123.864 122.820 -0.001 0.000 1.948 172 A HA -0.168 4.152 4.320 0.000 0.000 0.220 172 A C 2.528 180.084 177.584 -0.047 0.000 1.177 172 A CA 1.839 53.862 52.037 -0.024 0.000 0.636 172 A CB -0.381 18.600 19.000 -0.032 0.000 0.815 172 A HN 0.450 nan 8.150 nan 0.000 0.449 173 A N -0.165 122.631 122.820 -0.040 0.000 1.883 173 A HA 0.109 4.429 4.320 0.000 0.000 0.217 173 A C 2.528 180.043 177.584 -0.114 0.000 1.186 173 A CA 2.272 54.277 52.037 -0.053 0.000 0.624 173 A CB -1.073 17.907 19.000 -0.032 0.000 0.822 173 A HN 1.146 nan 8.150 nan 0.000 0.444 174 A N -0.165 122.552 122.820 -0.171 0.000 1.933 174 A HA -0.077 4.244 4.320 0.000 0.000 0.218 174 A C 2.098 179.181 177.584 -0.836 0.000 1.175 174 A CA 1.500 53.278 52.037 -0.432 0.000 0.628 174 A CB -0.633 18.135 19.000 -0.387 0.000 0.814 174 A HN 0.516 nan 8.150 nan 0.000 0.444 175 I N -0.170 120.110 120.570 -0.485 0.000 2.226 175 I HA -0.298 3.872 4.170 0.000 0.000 0.245 175 I C 2.940 178.965 176.117 -0.154 0.000 1.100 175 I CA 1.072 62.201 61.300 -0.285 0.000 1.374 175 I CB -0.339 37.656 38.000 -0.008 0.000 1.057 175 I HN 0.354 nan 8.210 nan 0.000 0.413 176 A N -0.028 122.721 122.820 -0.119 0.000 1.933 176 A HA -0.305 4.015 4.320 0.000 0.000 0.218 176 A C 2.165 179.729 177.584 -0.033 0.000 1.175 176 A CA 2.041 54.046 52.037 -0.054 0.000 0.628 176 A CB -1.018 17.958 19.000 -0.041 0.000 0.814 176 A HN 0.513 nan 8.150 nan 0.000 0.444 177 H N -1.695 117.273 119.070 -0.170 0.000 2.353 177 H HA -0.175 4.381 4.556 0.000 0.000 0.300 177 H C 1.770 177.152 175.328 0.090 0.000 1.090 177 H CA 2.341 58.335 56.048 -0.090 0.000 1.327 177 H CB -0.273 29.391 29.762 -0.164 0.000 1.383 177 H HN 0.689 nan 8.280 nan 0.000 0.508 178 Y N -1.300 119.160 120.300 0.266 0.000 2.145 178 Y HA -0.226 4.325 4.550 0.000 0.000 0.286 178 Y C 2.756 178.795 175.900 0.230 0.000 1.145 178 Y CA 0.544 58.869 58.100 0.376 0.000 1.148 178 Y CB -0.349 38.391 38.460 0.466 0.000 0.981 178 Y HN 0.051 nan 8.280 nan 0.000 0.507 179 V N 0.399 120.455 119.914 0.236 0.000 2.287 179 V HA -0.322 3.798 4.120 0.000 0.000 0.248 179 V C 2.316 178.420 176.094 0.016 0.000 1.053 179 V CA 2.277 64.614 62.300 0.062 0.000 1.027 179 V CB -0.624 31.198 31.823 -0.000 0.000 0.646 179 V HN 0.346 nan 8.190 nan 0.000 0.447 180 E N 0.146 120.343 120.200 -0.006 0.000 2.049 180 E HA -0.250 4.100 4.350 0.000 0.000 0.198 180 E C 1.937 178.521 176.600 -0.027 0.000 1.007 180 E CA 1.666 58.033 56.400 -0.054 0.000 0.809 180 E CB -0.513 29.108 29.700 -0.132 0.000 0.749 180 E HN 0.341 nan 8.360 nan 0.000 0.450 181 L N 0.041 121.276 121.223 0.020 0.000 2.046 181 L HA 0.004 4.344 4.340 0.000 0.000 0.208 181 L C 2.162 179.141 176.870 0.182 0.000 1.077 181 L CA 2.097 57.027 54.840 0.149 0.000 0.747 181 L CB -0.921 41.343 42.059 0.342 0.000 0.896 181 L HN 0.284 nan 8.230 nan 0.000 0.432 182 A N -1.602 121.270 122.820 0.088 0.000 2.218 182 A HA 0.389 4.709 4.320 0.000 0.000 0.209 182 A C 1.597 179.094 177.584 -0.144 0.000 1.168 182 A CA 0.604 52.526 52.037 -0.190 0.000 0.804 182 A CB -0.689 17.995 19.000 -0.526 0.000 0.834 182 A HN 0.574 nan 8.150 nan 0.000 0.482 183 G N -0.463 108.291 108.800 -0.076 0.000 2.221 183 G HA2 -0.228 3.732 3.960 0.000 0.000 0.265 183 G HA3 -0.228 3.732 3.960 0.000 0.000 0.265 183 G C 0.083 174.922 174.900 -0.103 0.000 1.041 183 G CA 0.450 45.507 45.100 -0.072 0.000 0.807 183 G HN 0.454 nan 8.290 nan 0.000 0.502 184 L N -0.112 121.027 121.223 -0.140 0.000 2.466 184 L HA 0.380 4.720 4.340 0.000 0.000 0.257 184 L C -1.233 175.542 176.870 -0.157 0.000 1.189 184 L CA -2.011 52.699 54.840 -0.217 0.000 0.813 184 L CB 0.167 42.040 42.059 -0.311 0.000 1.118 184 L HN -0.053 nan 8.230 nan 0.000 0.471 185 P HA 0.006 nan 4.420 nan 0.000 0.266 185 P C -0.680 176.575 177.300 -0.075 0.000 1.195 185 P CA 0.122 63.208 63.100 -0.023 0.000 0.768 185 P CB 0.662 32.422 31.700 0.099 0.000 0.838 186 A N 2.049 124.862 122.820 -0.012 0.000 2.610 186 A HA 0.060 4.380 4.320 0.000 0.000 0.291 186 A C 1.308 178.855 177.584 -0.062 0.000 1.116 186 A CA -0.242 51.752 52.037 -0.073 0.000 0.963 186 A CB -0.848 18.129 19.000 -0.038 0.000 1.220 186 A HN 0.744 nan 8.150 nan 0.000 0.530 187 H N -1.022 118.043 119.070 -0.008 0.000 2.457 187 H HA 0.284 4.840 4.556 0.000 0.000 0.294 187 H C 0.577 175.906 175.328 0.002 0.000 1.064 187 H CA 1.222 57.270 56.048 0.001 0.000 1.330 187 H CB -0.167 29.601 29.762 0.010 0.000 1.395 187 H HN 0.450 nan 8.280 nan 0.000 0.541 188 A N 0.715 123.292 122.820 -0.405 0.000 2.469 188 A HA 0.708 5.028 4.320 0.000 0.000 0.299 188 A C -0.362 177.109 177.584 -0.188 0.000 1.098 188 A CA -0.316 51.594 52.037 -0.212 0.000 0.737 188 A CB 1.372 20.262 19.000 -0.183 0.000 1.312 188 A HN 0.539 nan 8.150 nan 0.000 0.414 189 A N 0.395 123.153 122.820 -0.103 0.000 2.483 189 A HA 0.568 4.888 4.320 0.000 0.000 0.238 189 A C 0.759 178.296 177.584 -0.079 0.000 1.070 189 A CA 0.464 52.454 52.037 -0.079 0.000 0.770 189 A CB -0.231 18.739 19.000 -0.050 0.000 1.008 189 A HN 2.268 nan 8.150 nan 0.000 0.497 190 A N 1.871 124.657 122.820 -0.057 0.000 2.304 190 A HA 0.614 4.934 4.320 0.000 0.000 0.271 190 A C 0.020 177.600 177.584 -0.007 0.000 1.091 190 A CA -0.393 51.626 52.037 -0.031 0.000 0.812 190 A CB 0.410 19.414 19.000 0.007 0.000 1.056 190 A HN 0.826 nan 8.150 nan 0.000 0.489 191 Q N 0.317 120.113 119.800 -0.006 0.000 2.394 191 Q HA 0.466 4.806 4.340 0.000 0.000 0.273 191 Q C -1.390 174.622 176.000 0.020 0.000 1.089 191 Q CA -0.895 54.909 55.803 0.001 0.000 0.812 191 Q CB 1.926 30.645 28.738 -0.032 0.000 1.353 191 Q HN 0.597 nan 8.270 nan 0.000 0.438 192 L N 1.060 122.313 121.223 0.051 0.000 2.456 192 L HA 0.146 4.486 4.340 0.000 0.000 0.272 192 L C 1.020 177.858 176.870 -0.053 0.000 1.189 192 L CA 0.598 55.476 54.840 0.064 0.000 0.846 192 L CB 0.657 42.773 42.059 0.095 0.000 1.111 192 L HN 0.942 nan 8.230 nan 0.000 0.475 193 A N 2.098 124.826 122.820 -0.153 0.000 2.013 193 A HA 0.664 4.984 4.320 0.000 0.000 0.204 193 A C 0.773 178.124 177.584 -0.389 0.000 1.262 193 A CA 0.798 52.575 52.037 -0.432 0.000 0.800 193 A CB 0.024 18.487 19.000 -0.895 0.000 0.909 193 A HN 0.752 nan 8.150 nan 0.000 0.472 194 G N -1.363 107.362 108.800 -0.126 0.000 2.576 194 G HA2 0.530 4.490 3.960 0.000 0.000 0.290 194 G HA3 0.530 4.490 3.960 0.000 0.000 0.290 194 G C -1.750 173.359 174.900 0.347 0.000 1.442 194 G CA -0.504 44.705 45.100 0.181 0.000 0.792 194 G HN 0.204 nan 8.290 nan 0.000 0.491 195 I N 0.779 121.579 120.570 0.383 0.000 2.619 195 I HA 0.400 4.570 4.170 0.000 0.000 0.292 195 I C -1.048 175.393 176.117 0.541 0.000 1.100 195 I CA -0.763 60.783 61.300 0.409 0.000 1.043 195 I CB 2.671 40.822 38.000 0.251 0.000 1.239 195 I HN 0.849 nan 8.210 nan 0.000 0.420 196 D N 0.922 121.673 120.400 0.585 0.000 2.687 196 D HA 0.313 4.954 4.640 0.000 0.000 0.264 196 D C 0.889 177.607 176.300 0.697 0.000 1.091 196 D CA -0.426 53.922 54.000 0.579 0.000 1.123 196 D CB 1.079 42.134 40.800 0.425 0.000 1.407 196 D HN 0.548 nan 8.370 nan 0.000 0.591 197 T N -3.077 111.751 114.554 0.457 0.000 3.007 197 T HA -0.075 4.275 4.350 0.000 0.000 0.270 197 T C 0.947 175.977 174.700 0.549 0.000 1.107 197 T CA 1.059 63.440 62.100 0.467 0.000 1.118 197 T CB -0.392 68.565 68.868 0.148 0.000 0.889 197 T HN 0.513 nan 8.240 nan 0.000 0.506 198 E N 0.170 120.664 120.200 0.490 0.000 2.389 198 E HA 0.444 4.794 4.350 0.000 0.000 0.199 198 E C 1.122 177.850 176.600 0.213 0.000 0.978 198 E CA 0.105 56.781 56.400 0.459 0.000 0.912 198 E CB 0.796 30.753 29.700 0.430 0.000 0.907 198 E HN 0.655 nan 8.360 nan 0.000 0.494 199 G N 0.768 109.487 108.800 -0.136 0.000 2.435 199 G HA2 0.423 4.383 3.960 0.000 0.000 0.296 199 G HA3 0.423 4.383 3.960 0.000 0.000 0.296 199 G C -1.820 172.687 174.900 -0.654 0.000 1.240 199 G CA -0.732 43.664 45.100 -1.174 0.000 0.872 199 G HN 0.125 nan 8.290 nan 0.000 0.480 200 F N -1.536 117.790 119.950 -1.040 0.000 2.631 200 F HA 0.816 5.343 4.527 0.000 0.000 0.308 200 F C -1.092 174.421 175.800 -0.478 0.000 1.097 200 F CA -1.377 56.341 58.000 -0.470 0.000 0.952 200 F CB 1.282 40.104 39.000 -0.297 0.000 1.307 200 F HN 0.540 nan 8.300 nan 0.000 0.450 201 H N 2.124 121.219 119.070 0.042 0.000 2.473 201 H HA 0.692 5.248 4.556 0.000 0.000 0.327 201 H C -0.768 174.538 175.328 -0.037 0.000 1.105 201 H CA -0.537 55.494 56.048 -0.030 0.000 1.280 201 H CB 1.697 31.471 29.762 0.020 0.000 1.450 201 H HN 0.552 nan 8.280 nan 0.000 0.492 202 L N 2.753 124.007 121.223 0.051 0.000 2.329 202 L HA 0.485 4.825 4.340 0.000 0.000 0.279 202 L C 0.064 176.936 176.870 0.004 0.000 1.014 202 L CA -0.798 54.078 54.840 0.060 0.000 0.814 202 L CB 1.847 43.958 42.059 0.086 0.000 1.257 202 L HN 0.472 nan 8.230 nan 0.000 0.424 203 R N 3.637 124.095 120.500 -0.070 0.000 2.265 203 R HA 0.633 4.973 4.340 0.000 0.000 0.319 203 R C -1.175 175.101 176.300 -0.039 0.000 1.006 203 R CA -0.327 55.706 56.100 -0.112 0.000 0.880 203 R CB 0.794 30.971 30.300 -0.204 0.000 1.077 203 R HN 0.591 nan 8.270 nan 0.000 0.454 204 I N 5.961 126.538 120.570 0.011 0.000 2.448 204 I HA 0.285 4.455 4.170 0.000 0.000 0.281 204 I C 1.024 177.143 176.117 0.004 0.000 1.027 204 I CA -0.329 60.946 61.300 -0.041 0.000 1.111 204 I CB 1.648 39.604 38.000 -0.072 0.000 1.236 204 I HN 1.060 nan 8.210 nan 0.000 0.452 205 G N 5.391 114.181 108.800 -0.017 0.000 2.672 205 G HA2 -0.358 3.603 3.960 0.000 0.000 0.332 205 G HA3 -0.358 3.603 3.960 0.000 0.000 0.332 205 G C 0.629 175.580 174.900 0.085 0.000 1.213 205 G CA 0.707 45.875 45.100 0.114 0.000 0.980 205 G HN 0.631 nan 8.290 nan 0.000 0.548 206 Q N 1.287 121.169 119.800 0.136 0.000 2.319 206 Q HA 0.415 4.755 4.340 0.000 0.000 0.209 206 Q C 1.348 177.366 176.000 0.031 0.000 0.884 206 Q CA 0.703 56.559 55.803 0.089 0.000 0.938 206 Q CB 1.048 29.862 28.738 0.127 0.000 1.098 206 Q HN 2.018 nan 8.270 nan 0.000 0.517 207 G N 1.283 110.016 108.800 -0.112 0.000 2.468 207 G HA2 -0.139 3.821 3.960 0.000 0.000 0.143 207 G HA3 -0.139 3.821 3.960 0.000 0.000 0.143 207 G C -0.666 173.968 174.900 -0.444 0.000 1.065 207 G CA -0.561 44.471 45.100 -0.112 0.000 0.776 207 G HN 0.092 nan 8.290 nan 0.000 0.486 208 L N 1.558 122.140 121.223 -1.068 0.000 2.325 208 L HA 0.767 5.108 4.340 0.000 0.000 0.278 208 L C 0.205 176.613 176.870 -0.770 0.000 1.023 208 L CA -1.014 53.325 54.840 -0.835 0.000 0.811 208 L CB 1.558 43.106 42.059 -0.852 0.000 1.249 208 L HN 0.292 nan 8.230 nan 0.000 0.431 209 H N 0.982 120.036 119.070 -0.026 0.000 2.865 209 H HA 0.174 4.730 4.556 0.000 0.000 0.362 209 H C -1.745 173.595 175.328 0.020 0.000 1.114 209 H CA -0.688 55.377 56.048 0.029 0.000 1.208 209 H CB 2.230 31.957 29.762 -0.059 0.000 1.727 209 H HN 0.620 nan 8.280 nan 0.000 0.534 210 W N 4.216 125.444 121.300 -0.120 0.000 2.520 210 W HA 0.580 5.240 4.660 0.000 0.000 0.323 210 W C -1.500 174.720 176.519 -0.498 0.000 1.062 210 W CA -0.489 56.595 57.345 -0.436 0.000 1.215 210 W CB 0.929 30.128 29.460 -0.436 0.000 1.340 210 W HN 0.392 nan 8.180 nan 0.000 0.516 211 L N 8.187 128.500 121.223 -1.518 0.000 2.385 211 L HA 0.492 4.832 4.340 0.000 0.000 0.273 211 L C -2.070 173.725 176.870 -1.792 0.000 0.990 211 L CA -2.224 51.742 54.840 -1.457 0.000 0.821 211 L CB 2.282 43.550 42.059 -1.318 0.000 1.279 211 L HN 0.232 nan 8.230 nan 0.000 0.412 212 P HA 0.218 nan 4.420 nan 0.000 0.284 212 P C -0.742 176.457 177.300 -0.168 0.000 1.253 212 P CA -0.396 62.244 63.100 -0.768 0.000 0.800 212 P CB 0.672 32.255 31.700 -0.196 0.000 0.961 213 F N 3.614 123.558 119.950 -0.009 0.000 2.490 213 F HA 0.137 4.664 4.527 -0.000 0.000 0.336 213 F C -0.804 175.019 175.800 0.038 0.000 1.178 213 F CA -1.588 56.432 58.000 0.034 0.000 1.301 213 F CB -1.232 37.791 39.000 0.039 0.000 1.175 213 F HN 0.320 nan 8.300 nan 0.000 0.593 214 P HA -0.005 nan 4.420 nan 0.000 0.220 214 P C -0.472 176.894 177.300 0.109 0.000 1.148 214 P CA 1.542 64.697 63.100 0.091 0.000 0.803 214 P CB 0.271 31.969 31.700 -0.003 0.000 0.782 215 A N -1.808 121.090 122.820 0.131 0.000 2.593 215 A HA 0.719 5.039 4.320 0.000 0.000 0.290 215 A C -0.971 176.714 177.584 0.168 0.000 1.126 215 A CA -0.457 51.650 52.037 0.117 0.000 0.695 215 A CB 0.691 19.724 19.000 0.054 0.000 1.290 215 A HN 0.057 nan 8.150 nan 0.000 0.414 216 A N -0.559 122.353 122.820 0.154 0.000 2.483 216 A HA 0.458 4.779 4.320 0.000 0.000 0.238 216 A C -0.001 177.658 177.584 0.125 0.000 1.070 216 A CA 0.264 52.415 52.037 0.190 0.000 0.770 216 A CB -0.559 18.523 19.000 0.137 0.000 1.008 216 A HN 1.291 nan 8.150 nan 0.000 0.497 217 C N 1.924 121.325 119.300 0.167 0.000 2.344 217 C HA 0.563 5.023 4.460 0.000 0.000 0.326 217 C C 1.471 176.606 174.990 0.242 0.000 1.201 217 C CA -0.184 58.883 59.018 0.082 0.000 1.410 217 C CB 0.740 28.371 27.740 -0.182 0.000 2.070 217 C HN 1.059 nan 8.230 nan 0.000 0.445 218 G N 2.454 111.348 108.800 0.156 0.000 2.939 218 G HA2 0.151 4.111 3.960 0.000 0.000 0.210 218 G HA3 0.151 4.111 3.960 0.000 0.000 0.210 218 G C 0.162 175.180 174.900 0.197 0.000 1.160 218 G CA 0.070 45.235 45.100 0.108 0.000 0.770 218 G HN 0.841 nan 8.290 nan 0.000 0.543 219 N N -2.031 116.860 118.700 0.319 0.000 2.610 219 N HA 0.456 5.196 4.740 0.000 0.000 0.264 219 N C -2.624 172.981 175.510 0.158 0.000 1.348 219 N CA -1.670 51.574 53.050 0.323 0.000 0.819 219 N CB 1.728 40.291 38.487 0.126 0.000 1.521 219 N HN -0.320 nan 8.380 nan 0.000 0.497 220 P HA -0.040 nan 4.420 nan 0.000 0.218 220 P C 1.264 178.458 177.300 -0.177 0.000 1.148 220 P CA 1.702 64.684 63.100 -0.197 0.000 0.822 220 P CB -0.060 31.569 31.700 -0.119 0.000 0.784 221 G N 0.119 108.857 108.800 -0.104 0.000 2.402 221 G HA2 -0.209 3.751 3.960 0.000 0.000 0.216 221 G HA3 -0.209 3.751 3.960 0.000 0.000 0.216 221 G C 1.667 176.481 174.900 -0.142 0.000 1.162 221 G CA 0.833 45.866 45.100 -0.112 0.000 0.777 221 G HN 0.311 nan 8.290 nan 0.000 0.539 222 A N 0.184 122.930 122.820 -0.124 0.000 1.940 222 A HA 0.047 4.367 4.320 0.000 0.000 0.219 222 A C 2.591 179.988 177.584 -0.312 0.000 1.176 222 A CA 1.870 53.809 52.037 -0.164 0.000 0.631 222 A CB -0.594 18.349 19.000 -0.094 0.000 0.814 222 A HN 0.263 nan 8.150 nan 0.000 0.446 223 V N 0.072 119.766 119.914 -0.367 0.000 2.358 223 V HA -0.242 3.878 4.120 0.000 0.000 0.246 223 V C 2.635 178.459 176.094 -0.450 0.000 1.047 223 V CA 2.168 64.120 62.300 -0.580 0.000 1.035 223 V CB -0.819 30.672 31.823 -0.554 0.000 0.658 223 V HN 0.680 nan 8.190 nan 0.000 0.452 224 R N 0.041 120.353 120.500 -0.313 0.000 2.083 224 R HA -0.238 4.102 4.340 0.000 0.000 0.237 224 R C 2.384 178.537 176.300 -0.245 0.000 1.137 224 R CA 2.184 58.132 56.100 -0.253 0.000 0.951 224 R CB -0.280 29.902 30.300 -0.196 0.000 0.851 224 R HN 0.599 nan 8.270 nan 0.000 0.434 225 Q N -0.330 119.332 119.800 -0.229 0.000 2.096 225 Q HA -0.150 4.190 4.340 0.000 0.000 0.204 225 Q C 2.159 178.028 176.000 -0.219 0.000 0.982 225 Q CA 1.816 57.501 55.803 -0.196 0.000 0.850 225 Q CB -0.164 28.477 28.738 -0.162 0.000 0.901 225 Q HN 0.471 nan 8.270 nan 0.000 0.422 226 A N 0.802 123.442 122.820 -0.301 0.000 1.902 226 A HA -0.144 4.176 4.320 0.000 0.000 0.217 226 A C 2.061 179.509 177.584 -0.227 0.000 1.181 226 A CA 1.069 52.931 52.037 -0.291 0.000 0.623 226 A CB -0.615 18.074 19.000 -0.519 0.000 0.818 226 A HN 0.282 nan 8.150 nan 0.000 0.443 227 L N -0.626 120.440 121.223 -0.262 0.000 2.093 227 L HA -0.135 4.206 4.340 0.000 0.000 0.208 227 L C 2.520 179.327 176.870 -0.105 0.000 1.085 227 L CA 0.874 55.590 54.840 -0.207 0.000 0.755 227 L CB -0.520 41.397 42.059 -0.236 0.000 0.904 227 L HN 0.243 nan 8.230 nan 0.000 0.435 228 V N -0.187 119.628 119.914 -0.164 0.000 2.295 228 V HA -0.337 3.783 4.120 0.000 0.000 0.246 228 V C 2.491 178.502 176.094 -0.138 0.000 1.049 228 V CA 2.018 64.224 62.300 -0.157 0.000 1.024 228 V CB -0.528 31.197 31.823 -0.165 0.000 0.648 228 V HN 0.547 nan 8.190 nan 0.000 0.447 229 Q N -0.308 119.405 119.800 -0.144 0.000 2.061 229 Q HA -0.219 4.121 4.340 0.000 0.000 0.204 229 Q C 2.269 178.176 176.000 -0.154 0.000 0.984 229 Q CA 1.950 57.668 55.803 -0.142 0.000 0.846 229 Q CB -0.191 28.461 28.738 -0.143 0.000 0.902 229 Q HN 0.611 nan 8.270 nan 0.000 0.421 230 L N 0.197 121.320 121.223 -0.166 0.000 2.083 230 L HA -0.157 4.183 4.340 0.000 0.000 0.209 230 L C 2.553 179.452 176.870 0.048 0.000 1.083 230 L CA 0.987 55.714 54.840 -0.188 0.000 0.752 230 L CB -0.548 41.280 42.059 -0.386 0.000 0.899 230 L HN 0.312 nan 8.230 nan 0.000 0.433 231 A N -0.157 122.696 122.820 0.056 0.000 2.015 231 A HA -0.121 4.200 4.320 0.000 0.000 0.219 231 A C 2.288 179.497 177.584 -0.626 0.000 1.163 231 A CA 1.059 52.946 52.037 -0.251 0.000 0.646 231 A CB -0.285 18.586 19.000 -0.215 0.000 0.806 231 A HN 0.354 nan 8.150 nan 0.000 0.448 232 R N -0.514 119.790 120.500 -0.326 0.000 2.254 232 R HA 0.293 4.634 4.340 0.000 0.000 0.195 232 R C 0.854 177.079 176.300 -0.125 0.000 0.957 232 R CA 0.493 56.443 56.100 -0.250 0.000 1.024 232 R CB -0.233 29.975 30.300 -0.152 0.000 0.952 232 R HN 0.420 nan 8.270 nan 0.000 0.484 233 A N 1.587 124.372 122.820 -0.058 0.000 2.445 233 A HA 0.057 4.377 4.320 0.000 0.000 0.242 233 A C 0.321 178.018 177.584 0.188 0.000 1.075 233 A CA -0.091 51.965 52.037 0.031 0.000 0.777 233 A CB 0.415 19.380 19.000 -0.059 0.000 1.013 233 A HN 0.180 nan 8.150 nan 0.000 0.493 234 E N 0.035 120.297 120.200 0.104 0.000 2.431 234 E HA 0.071 4.421 4.350 0.000 0.000 0.200 234 E C 0.674 177.324 176.600 0.084 0.000 0.995 234 E CA 0.267 56.730 56.400 0.105 0.000 0.915 234 E CB 0.320 30.059 29.700 0.066 0.000 0.930 234 E HN 0.658 nan 8.360 nan 0.000 0.496 235 R N -0.227 120.322 120.500 0.082 0.000 2.799 235 R HA 0.161 4.502 4.340 0.000 0.000 0.270 235 R C -1.217 175.161 176.300 0.131 0.000 1.010 235 R CA -0.712 55.458 56.100 0.118 0.000 0.916 235 R CB 0.147 30.506 30.300 0.099 0.000 1.228 235 R HN 0.022 nan 8.270 nan 0.000 0.469 236 W N 4.464 125.781 121.300 0.029 0.000 2.489 236 W HA 0.150 4.810 4.660 -0.000 0.000 0.327 236 W C -1.881 174.649 176.519 0.019 0.000 1.436 236 W CA -0.570 56.789 57.345 0.023 0.000 1.315 236 W CB 0.501 29.959 29.460 -0.003 0.000 1.373 236 W HN 0.437 nan 8.180 nan 0.000 0.557 237 P HA 0.096 nan 4.420 nan 0.000 0.272 237 P C -0.090 177.285 177.300 0.124 0.000 1.230 237 P CA 0.175 63.274 63.100 -0.002 0.000 0.788 237 P CB 1.013 32.657 31.700 -0.093 0.000 0.949 238 T N -2.188 112.428 114.554 0.104 0.000 2.897 238 T HA 0.607 4.957 4.350 0.000 0.000 0.278 238 T C 0.348 175.107 174.700 0.098 0.000 0.981 238 T CA -0.723 61.452 62.100 0.124 0.000 0.973 238 T CB 0.661 69.585 68.868 0.093 0.000 1.092 238 T HN 0.408 nan 8.240 nan 0.000 0.543 239 V N 0.000 119.972 119.914 0.097 0.000 2.409 239 V HA 0.000 4.120 4.120 0.000 0.000 0.244 239 V CA 0.000 62.347 62.300 0.079 0.000 1.235 239 V CB 0.000 31.856 31.823 0.055 0.000 1.184 239 V HN 0.000 nan 8.190 nan 0.000 0.556