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 2x9u_1_Z DATA FIRST_RESID 3 DATA SEQUENCE YRLKAYYREG EKPSALRRAG KLPGVMYNRH LNRKVYVDLV EFDKVFRQAS DATA SEQUENCE IHHVIVLELP DGQSLPTLVR QVNLDKRRRR PEHVDFFVLS DEPVEMYVPL DATA SEQUENCE RFVGTPAGVR AGGVLQEIHR DILVKVSPRN IPEFIEVDVS GLEIGDSLHA DATA SEQUENCE SDLKLPPGVE LAVSPEETIA AVVPPEDVEK LAEEA 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 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.863 175.900 -0.061 0.000 1.272 3 Y CA 0.000 58.068 58.100 -0.053 0.000 1.940 3 Y CB 0.000 38.429 38.460 -0.052 0.000 1.050 4 R N 1.170 121.737 120.500 0.111 0.000 2.686 4 R HA 0.818 5.158 4.340 -0.000 0.000 0.286 4 R C -2.031 174.276 176.300 0.012 0.000 0.969 4 R CA -1.175 54.938 56.100 0.022 0.000 0.898 4 R CB 3.077 33.371 30.300 -0.010 0.000 1.183 4 R HN 0.574 nan 8.270 nan 0.000 0.456 5 L N 1.806 123.005 121.223 -0.039 0.000 2.438 5 L HA 0.396 4.736 4.340 -0.000 0.000 0.270 5 L C -1.005 175.820 176.870 -0.076 0.000 0.972 5 L CA -0.655 54.171 54.840 -0.024 0.000 0.831 5 L CB 1.838 43.885 42.059 -0.019 0.000 1.273 5 L HN 0.454 nan 8.230 nan 0.000 0.405 6 K N 3.661 124.043 120.400 -0.029 0.000 2.349 6 K HA 0.743 5.063 4.320 -0.000 0.000 0.289 6 K C -0.758 175.742 176.600 -0.167 0.000 1.064 6 K CA 0.265 56.472 56.287 -0.132 0.000 0.947 6 K CB 0.792 33.271 32.500 -0.034 0.000 1.007 6 K HN 0.721 nan 8.250 nan 0.000 0.478 7 A N 4.030 126.593 122.820 -0.428 0.000 2.356 7 A HA 0.710 5.030 4.320 -0.000 0.000 0.323 7 A C -1.551 175.540 177.584 -0.823 0.000 1.119 7 A CA -0.640 51.171 52.037 -0.378 0.000 0.790 7 A CB 0.585 19.404 19.000 -0.302 0.000 1.273 7 A HN 0.646 nan 8.150 nan 0.000 0.452 8 Y N -1.258 118.733 120.300 -0.515 0.000 2.634 8 Y HA 0.531 5.081 4.550 -0.000 0.000 0.340 8 Y C -0.813 174.677 175.900 -0.683 0.000 1.058 8 Y CA -1.111 56.567 58.100 -0.704 0.000 1.081 8 Y CB 1.071 38.962 38.460 -0.947 0.000 1.295 8 Y HN 0.599 nan 8.280 nan 0.000 0.487 9 Y N 0.946 121.162 120.300 -0.141 0.000 2.336 9 Y HA 0.372 4.922 4.550 -0.000 0.000 0.335 9 Y C 0.629 176.552 175.900 0.038 0.000 1.046 9 Y CA -0.593 57.483 58.100 -0.040 0.000 1.198 9 Y CB 0.894 39.360 38.460 0.009 0.000 1.182 9 Y HN 0.294 nan 8.280 nan 0.000 0.502 10 R N 2.278 122.959 120.500 0.302 0.000 2.308 10 R HA 0.063 4.403 4.340 -0.000 0.000 0.305 10 R C 0.157 176.601 176.300 0.240 0.000 1.053 10 R CA -0.353 55.953 56.100 0.344 0.000 0.957 10 R CB 0.926 31.416 30.300 0.317 0.000 1.022 10 R HN 0.783 nan 8.270 nan 0.000 0.461 11 E N 1.791 122.118 120.200 0.211 0.000 2.112 11 E HA 0.082 4.432 4.350 -0.000 0.000 0.190 11 E C 0.765 177.425 176.600 0.100 0.000 0.979 11 E CA 0.945 57.426 56.400 0.136 0.000 0.814 11 E CB 0.354 30.126 29.700 0.119 0.000 0.762 11 E HN 0.917 nan 8.360 nan 0.000 0.460 12 G N 0.474 109.335 108.800 0.101 0.000 2.330 12 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.125 12 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.125 12 G C -0.806 174.127 174.900 0.055 0.000 1.060 12 G CA -0.554 44.590 45.100 0.073 0.000 0.743 12 G HN 0.109 nan 8.290 nan 0.000 0.480 13 E N 0.554 120.788 120.200 0.058 0.000 2.238 13 E HA 0.435 4.785 4.350 -0.000 0.000 0.267 13 E C -0.057 176.553 176.600 0.017 0.000 0.887 13 E CA -1.128 55.291 56.400 0.032 0.000 0.769 13 E CB 1.625 31.343 29.700 0.030 0.000 1.187 13 E HN 0.193 nan 8.360 nan 0.000 0.416 14 K N 2.523 122.925 120.400 0.002 0.000 2.587 14 K HA -0.195 4.125 4.320 -0.000 0.000 0.252 14 K C -2.001 174.589 176.600 -0.016 0.000 1.092 14 K CA -0.217 56.064 56.287 -0.010 0.000 1.135 14 K CB -0.308 32.180 32.500 -0.020 0.000 0.921 14 K HN 0.305 nan 8.250 nan 0.000 0.504 15 P HA -0.225 nan 4.420 nan 0.000 0.216 15 P C 1.444 178.728 177.300 -0.027 0.000 1.153 15 P CA 1.539 64.636 63.100 -0.004 0.000 0.848 15 P CB 0.145 31.850 31.700 0.008 0.000 0.787 16 S N 0.119 115.803 115.700 -0.027 0.000 2.378 16 S HA -0.305 4.165 4.470 -0.000 0.000 0.229 16 S C 2.101 176.674 174.600 -0.045 0.000 1.052 16 S CA 1.722 59.902 58.200 -0.034 0.000 1.084 16 S CB -1.695 61.488 63.200 -0.028 0.000 0.950 16 S HN 0.152 nan 8.310 nan 0.000 0.440 17 A N 2.537 125.328 122.820 -0.049 0.000 1.841 17 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 17 A C 2.444 179.973 177.584 -0.093 0.000 1.199 17 A CA 1.748 53.747 52.037 -0.064 0.000 0.621 17 A CB -1.143 17.820 19.000 -0.061 0.000 0.835 17 A HN 0.537 nan 8.150 nan 0.000 0.445 18 L N -0.992 120.161 121.223 -0.118 0.000 2.043 18 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 18 L C 2.905 179.689 176.870 -0.143 0.000 1.075 18 L CA 1.896 56.626 54.840 -0.182 0.000 0.752 18 L CB -0.605 41.323 42.059 -0.219 0.000 0.891 18 L HN 0.406 nan 8.230 nan 0.000 0.432 19 R N 0.445 120.888 120.500 -0.096 0.000 2.073 19 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 19 R C 2.149 178.403 176.300 -0.077 0.000 1.134 19 R CA 1.525 57.576 56.100 -0.082 0.000 0.952 19 R CB -0.421 29.841 30.300 -0.063 0.000 0.850 19 R HN 0.479 nan 8.270 nan 0.000 0.433 20 R N 0.567 121.026 120.500 -0.069 0.000 2.328 20 R HA 0.180 4.520 4.340 -0.000 0.000 0.200 20 R C 0.801 177.062 176.300 -0.066 0.000 0.983 20 R CA 0.884 56.949 56.100 -0.059 0.000 1.062 20 R CB 0.297 30.568 30.300 -0.049 0.000 0.956 20 R HN 0.084 nan 8.270 nan 0.000 0.479 21 A N 0.552 123.320 122.820 -0.088 0.000 2.594 21 A HA 0.515 4.835 4.320 -0.000 0.000 0.287 21 A C 1.232 178.753 177.584 -0.105 0.000 1.227 21 A CA 0.012 51.990 52.037 -0.098 0.000 0.952 21 A CB 0.368 19.292 19.000 -0.126 0.000 1.161 21 A HN 0.438 nan 8.150 nan 0.000 0.524 22 G N 0.053 108.802 108.800 -0.085 0.000 2.299 22 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.237 22 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.237 22 G C 0.497 175.351 174.900 -0.077 0.000 1.027 22 G CA 0.570 45.628 45.100 -0.071 0.000 0.619 22 G HN 0.606 nan 8.290 nan 0.000 0.513 23 K N -0.123 120.203 120.400 -0.123 0.000 2.118 23 K HA 0.728 5.048 4.320 -0.000 0.000 0.240 23 K C -0.095 176.454 176.600 -0.085 0.000 1.035 23 K CA -0.345 55.878 56.287 -0.107 0.000 0.899 23 K CB 1.197 33.540 32.500 -0.261 0.000 1.085 23 K HN 0.249 nan 8.250 nan 0.000 0.498 24 L N 2.239 123.432 121.223 -0.049 0.000 2.415 24 L HA 0.388 4.728 4.340 -0.000 0.000 0.268 24 L C -2.627 174.215 176.870 -0.046 0.000 0.984 24 L CA -2.189 52.582 54.840 -0.116 0.000 0.853 24 L CB 1.842 43.733 42.059 -0.279 0.000 1.215 24 L HN 0.339 nan 8.230 nan 0.000 0.419 25 P HA 0.331 nan 4.420 nan 0.000 0.269 25 P C -0.453 176.814 177.300 -0.056 0.000 1.217 25 P CA 0.006 63.148 63.100 0.070 0.000 0.783 25 P CB 0.839 32.606 31.700 0.112 0.000 0.898 26 G N -1.017 107.764 108.800 -0.032 0.000 2.368 26 G HA2 0.455 4.415 3.960 -0.000 0.000 0.293 26 G HA3 0.455 4.415 3.960 -0.000 0.000 0.293 26 G C -2.059 172.819 174.900 -0.035 0.000 1.467 26 G CA -0.304 44.568 45.100 -0.379 0.000 0.804 26 G HN 0.549 nan 8.290 nan 0.000 0.535 27 V N 0.537 120.423 119.914 -0.047 0.000 3.102 27 V HA 0.930 5.050 4.120 -0.000 0.000 0.312 27 V C -0.540 175.669 176.094 0.193 0.000 1.135 27 V CA -0.837 61.582 62.300 0.198 0.000 1.022 27 V CB 2.162 34.193 31.823 0.346 0.000 1.056 27 V HN 1.216 nan 8.190 nan 0.000 0.436 28 M N 4.868 124.613 119.600 0.241 0.000 2.501 28 M HA 0.882 5.362 4.480 -0.000 0.000 0.293 28 M C -1.432 174.970 176.300 0.170 0.000 1.192 28 M CA -0.480 54.896 55.300 0.127 0.000 0.886 28 M CB 2.235 34.951 32.600 0.194 0.000 1.710 28 M HN 0.808 nan 8.290 nan 0.000 0.457 29 Y N -0.726 119.689 120.300 0.193 0.000 2.925 29 Y HA 0.840 5.390 4.550 -0.000 0.000 0.349 29 Y C -1.895 174.097 175.900 0.153 0.000 1.342 29 Y CA -1.247 56.931 58.100 0.129 0.000 1.093 29 Y CB 0.655 39.144 38.460 0.049 0.000 1.571 29 Y HN 1.144 nan 8.280 nan 0.000 0.438 30 N N -1.637 117.302 118.700 0.398 0.000 3.717 30 N HA 0.124 4.864 4.740 -0.000 0.000 0.239 30 N C -0.537 175.031 175.510 0.096 0.000 1.388 30 N CA -0.698 52.523 53.050 0.284 0.000 0.828 30 N CB 0.507 39.265 38.487 0.453 0.000 1.468 30 N HN 0.942 nan 8.380 nan 0.000 0.445 31 R N -0.583 119.881 120.500 -0.060 0.000 2.421 31 R HA -0.079 4.261 4.340 -0.000 0.000 0.208 31 R C -0.495 175.546 176.300 -0.432 0.000 1.103 31 R CA 1.287 57.224 56.100 -0.271 0.000 1.065 31 R CB -0.700 29.389 30.300 -0.352 0.000 0.839 31 R HN 0.671 nan 8.270 nan 0.000 0.480 32 H N -1.512 117.624 119.070 0.110 0.000 3.583 32 H HA 0.268 4.824 4.556 -0.000 0.000 0.251 32 H C -0.221 175.164 175.328 0.094 0.000 1.060 32 H CA -0.323 55.777 56.048 0.087 0.000 1.159 32 H CB 0.552 30.363 29.762 0.080 0.000 1.496 32 H HN 0.058 nan 8.280 nan 0.000 0.540 33 L N 1.295 122.649 121.223 0.218 0.000 2.301 33 L HA 0.499 4.839 4.340 -0.000 0.000 0.264 33 L C -0.544 176.453 176.870 0.211 0.000 1.016 33 L CA -0.464 54.493 54.840 0.195 0.000 0.821 33 L CB 2.007 44.185 42.059 0.198 0.000 1.346 33 L HN 0.125 nan 8.230 nan 0.000 0.429 34 N N 2.004 120.821 118.700 0.194 0.000 4.296 34 N HA 0.221 4.961 4.740 -0.000 0.000 0.183 34 N C -1.961 173.654 175.510 0.176 0.000 1.159 34 N CA -0.454 52.728 53.050 0.220 0.000 0.980 34 N CB 1.016 39.598 38.487 0.160 0.000 1.621 34 N HN 0.503 nan 8.380 nan 0.000 0.861 35 R N 2.187 122.814 120.500 0.212 0.000 2.651 35 R HA 0.388 4.728 4.340 -0.000 0.000 0.278 35 R C -0.401 176.041 176.300 0.237 0.000 1.010 35 R CA -0.718 55.499 56.100 0.195 0.000 0.896 35 R CB 1.867 32.298 30.300 0.218 0.000 1.211 35 R HN 0.415 nan 8.270 nan 0.000 0.456 36 K N 1.273 121.800 120.400 0.213 0.000 2.326 36 K HA 0.355 4.675 4.320 -0.000 0.000 0.275 36 K C 0.317 177.079 176.600 0.270 0.000 1.018 36 K CA -0.222 56.200 56.287 0.224 0.000 0.962 36 K CB 0.973 33.583 32.500 0.184 0.000 0.953 36 K HN 0.464 nan 8.250 nan 0.000 0.475 37 V N 0.388 120.445 119.914 0.238 0.000 3.226 37 V HA 0.674 4.794 4.120 -0.000 0.000 0.304 37 V C -2.025 174.212 176.094 0.239 0.000 1.336 37 V CA -0.918 61.496 62.300 0.189 0.000 1.066 37 V CB 1.612 33.508 31.823 0.122 0.000 1.087 37 V HN 0.835 nan 8.190 nan 0.000 0.451 38 Y N 0.181 120.583 120.300 0.169 0.000 2.615 38 Y HA 0.933 5.483 4.550 -0.000 0.000 0.341 38 Y C -1.295 174.723 175.900 0.197 0.000 1.089 38 Y CA -1.449 56.727 58.100 0.127 0.000 1.049 38 Y CB 1.657 40.157 38.460 0.068 0.000 1.296 38 Y HN 0.937 nan 8.280 nan 0.000 0.470 39 V N 1.928 122.109 119.914 0.445 0.000 2.851 39 V HA 0.282 4.402 4.120 -0.000 0.000 0.307 39 V C -1.199 175.059 176.094 0.274 0.000 1.129 39 V CA -0.768 61.764 62.300 0.386 0.000 0.932 39 V CB 1.755 33.807 31.823 0.381 0.000 1.024 39 V HN 1.021 nan 8.190 nan 0.000 0.426 40 D N 4.506 125.057 120.400 0.251 0.000 2.493 40 D HA 0.011 4.651 4.640 -0.000 0.000 0.240 40 D C 1.109 177.484 176.300 0.125 0.000 1.142 40 D CA 0.329 54.410 54.000 0.135 0.000 0.872 40 D CB 1.362 42.232 40.800 0.117 0.000 1.173 40 D HN 0.638 nan 8.370 nan 0.000 0.467 41 L N 4.650 125.899 121.223 0.043 0.000 1.955 41 L HA -0.221 4.119 4.340 -0.000 0.000 0.213 41 L C 2.527 179.454 176.870 0.095 0.000 1.072 41 L CA 1.336 56.180 54.840 0.007 0.000 0.755 41 L CB -0.463 41.571 42.059 -0.041 0.000 0.888 41 L HN 0.419 nan 8.230 nan 0.000 0.432 42 V N 0.385 120.347 119.914 0.079 0.000 2.313 42 V HA -0.386 3.734 4.120 -0.000 0.000 0.253 42 V C 2.340 178.517 176.094 0.138 0.000 1.070 42 V CA 2.572 64.929 62.300 0.094 0.000 1.057 42 V CB -0.381 31.480 31.823 0.064 0.000 0.653 42 V HN 0.600 nan 8.190 nan 0.000 0.450 43 E N -1.232 119.063 120.200 0.158 0.000 2.208 43 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 43 E C 1.928 178.663 176.600 0.224 0.000 0.988 43 E CA 1.389 57.890 56.400 0.168 0.000 0.828 43 E CB -0.192 29.605 29.700 0.160 0.000 0.763 43 E HN 0.778 nan 8.360 nan 0.000 0.478 44 F N 2.002 122.012 119.950 0.101 0.000 2.219 44 F HA -0.034 4.493 4.527 -0.000 0.000 0.294 44 F C 1.664 177.539 175.800 0.126 0.000 1.086 44 F CA 1.088 59.165 58.000 0.129 0.000 1.330 44 F CB -0.092 38.990 39.000 0.136 0.000 1.047 44 F HN -0.183 nan 8.300 nan 0.000 0.495 45 D N 0.380 121.110 120.400 0.550 0.000 2.351 45 D HA -0.154 4.486 4.640 -0.000 0.000 0.216 45 D C 2.049 178.468 176.300 0.200 0.000 0.968 45 D CA 0.832 55.057 54.000 0.374 0.000 0.899 45 D CB -0.158 40.775 40.800 0.221 0.000 0.907 45 D HN 0.365 nan 8.370 nan 0.000 0.514 46 K N -0.765 119.722 120.400 0.145 0.000 2.244 46 K HA 0.026 4.346 4.320 -0.000 0.000 0.200 46 K C 1.729 178.339 176.600 0.016 0.000 1.052 46 K CA 0.290 56.626 56.287 0.080 0.000 0.980 46 K CB 0.407 32.956 32.500 0.081 0.000 0.838 46 K HN -0.063 nan 8.250 nan 0.000 0.481 47 V N 1.084 120.979 119.914 -0.030 0.000 2.407 47 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 47 V C 1.975 177.872 176.094 -0.327 0.000 1.041 47 V CA 1.391 63.589 62.300 -0.170 0.000 1.040 47 V CB -0.502 31.227 31.823 -0.157 0.000 0.671 47 V HN 0.254 nan 8.190 nan 0.000 0.455 48 F N 1.069 120.751 119.950 -0.447 0.000 2.171 48 F HA -0.129 4.398 4.527 -0.000 0.000 0.300 48 F C 2.609 178.264 175.800 -0.241 0.000 1.090 48 F CA 1.442 59.169 58.000 -0.454 0.000 1.293 48 F CB -0.181 38.482 39.000 -0.561 0.000 1.013 48 F HN -0.064 nan 8.300 nan 0.000 0.486 49 R N 0.462 120.991 120.500 0.048 0.000 2.103 49 R HA -0.199 4.141 4.340 -0.000 0.000 0.242 49 R C 2.061 178.309 176.300 -0.086 0.000 1.142 49 R CA 2.020 58.146 56.100 0.043 0.000 0.960 49 R CB -0.890 29.449 30.300 0.065 0.000 0.858 49 R HN 0.482 nan 8.270 nan 0.000 0.439 50 Q N -1.266 118.436 119.800 -0.163 0.000 2.178 50 Q HA 0.181 4.521 4.340 -0.000 0.000 0.195 50 Q C 2.153 177.986 176.000 -0.277 0.000 0.960 50 Q CA 0.798 56.516 55.803 -0.142 0.000 0.843 50 Q CB -0.112 28.600 28.738 -0.043 0.000 0.927 50 Q HN 0.269 nan 8.270 nan 0.000 0.487 51 A N 0.909 123.307 122.820 -0.704 0.000 1.841 51 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 51 A C 1.160 178.388 177.584 -0.593 0.000 1.199 51 A CA 1.256 52.813 52.037 -0.801 0.000 0.621 51 A CB -0.728 17.633 19.000 -1.065 0.000 0.835 51 A HN 0.329 nan 8.150 nan 0.000 0.445 52 S N -1.979 113.115 115.700 -1.009 0.000 3.633 52 S HA -0.233 4.237 4.470 -0.000 0.000 0.637 52 S C 0.570 174.619 174.600 -0.919 0.000 2.289 52 S CA 0.887 58.266 58.200 -1.369 0.000 2.476 52 S CB -1.718 60.924 63.200 -0.931 0.000 0.330 52 S HN 1.723 nan 8.310 nan 0.000 1.787 53 I N 0.078 120.172 120.570 -0.793 0.000 3.752 53 I HA 0.365 4.535 4.170 -0.000 0.000 0.313 53 I C 1.124 177.034 176.117 -0.344 0.000 1.304 53 I CA 0.086 61.146 61.300 -0.400 0.000 1.171 53 I CB -0.379 37.477 38.000 -0.240 0.000 1.038 53 I HN 0.493 nan 8.210 nan 0.000 0.427 54 H N -0.049 118.803 119.070 -0.364 0.000 2.481 54 H HA 0.351 4.907 4.556 -0.000 0.000 0.291 54 H C 0.241 175.278 175.328 -0.485 0.000 1.009 54 H CA 0.419 56.183 56.048 -0.474 0.000 1.282 54 H CB 0.171 29.474 29.762 -0.766 0.000 1.457 54 H HN 0.445 nan 8.280 nan 0.000 0.525 55 H N 0.510 119.623 119.070 0.071 0.000 2.492 55 H HA 0.285 4.841 4.556 -0.000 0.000 0.345 55 H C 0.072 175.437 175.328 0.061 0.000 1.136 55 H CA -0.898 55.208 56.048 0.097 0.000 1.202 55 H CB 1.860 31.775 29.762 0.254 0.000 1.524 55 H HN -0.168 nan 8.280 nan 0.000 0.506 56 V N 3.957 123.975 119.914 0.174 0.000 2.599 56 V HA -0.016 4.104 4.120 -0.000 0.000 0.300 56 V C 0.890 177.058 176.094 0.125 0.000 1.034 56 V CA 0.441 62.793 62.300 0.087 0.000 1.115 56 V CB -0.260 31.583 31.823 0.035 0.000 0.934 56 V HN 0.504 nan 8.190 nan 0.000 0.485 57 I N 4.792 125.391 120.570 0.048 0.000 2.465 57 I HA 0.410 4.580 4.170 -0.000 0.000 0.291 57 I C -0.531 175.554 176.117 -0.053 0.000 1.014 57 I CA -0.774 60.542 61.300 0.028 0.000 1.093 57 I CB 2.110 40.096 38.000 -0.024 0.000 1.267 57 I HN 0.282 nan 8.210 nan 0.000 0.431 58 V N 6.929 126.811 119.914 -0.054 0.000 2.394 58 V HA 0.392 4.512 4.120 -0.000 0.000 0.282 58 V C 0.210 176.211 176.094 -0.155 0.000 1.031 58 V CA -0.562 61.677 62.300 -0.101 0.000 0.881 58 V CB 1.341 33.121 31.823 -0.071 0.000 0.982 58 V HN 0.475 nan 8.190 nan 0.000 0.451 59 L N 4.412 125.498 121.223 -0.230 0.000 2.379 59 L HA 0.554 4.894 4.340 -0.000 0.000 0.269 59 L C 0.251 176.984 176.870 -0.229 0.000 1.084 59 L CA -0.349 54.318 54.840 -0.289 0.000 0.802 59 L CB 0.946 42.751 42.059 -0.423 0.000 1.175 59 L HN 0.641 nan 8.230 nan 0.000 0.448 60 E N 3.727 123.777 120.200 -0.250 0.000 2.331 60 E HA 0.395 4.745 4.350 -0.000 0.000 0.243 60 E C -1.078 175.312 176.600 -0.349 0.000 0.925 60 E CA -0.346 55.911 56.400 -0.238 0.000 0.760 60 E CB 1.490 31.081 29.700 -0.182 0.000 1.254 60 E HN 0.413 nan 8.360 nan 0.000 0.419 61 L N 2.649 123.670 121.223 -0.337 0.000 2.456 61 L HA 0.241 4.581 4.340 -0.000 0.000 0.257 61 L C -1.402 175.269 176.870 -0.331 0.000 1.162 61 L CA -1.955 52.616 54.840 -0.448 0.000 0.808 61 L CB 0.258 42.053 42.059 -0.441 0.000 1.136 61 L HN 0.202 nan 8.230 nan 0.000 0.466 62 P HA -0.147 nan 4.420 nan 0.000 0.223 62 P C 0.527 177.795 177.300 -0.054 0.000 1.144 62 P CA 1.079 64.090 63.100 -0.148 0.000 0.783 62 P CB 0.110 31.774 31.700 -0.061 0.000 0.771 63 D N -1.589 118.793 120.400 -0.031 0.000 2.378 63 D HA 0.004 4.644 4.640 -0.000 0.000 0.227 63 D C 1.708 177.997 176.300 -0.018 0.000 1.012 63 D CA 1.212 55.223 54.000 0.017 0.000 0.905 63 D CB -0.282 40.559 40.800 0.068 0.000 0.895 63 D HN 0.168 nan 8.370 nan 0.000 0.532 64 G N 1.132 109.898 108.800 -0.056 0.000 2.212 64 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.266 64 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.266 64 G C 0.374 175.238 174.900 -0.060 0.000 0.978 64 G CA -0.041 45.026 45.100 -0.056 0.000 0.632 64 G HN 0.369 nan 8.290 nan 0.000 0.537 65 Q N 0.695 120.460 119.800 -0.059 0.000 2.364 65 Q HA 0.448 4.788 4.340 -0.000 0.000 0.267 65 Q C 0.133 176.081 176.000 -0.087 0.000 0.999 65 Q CA 0.924 56.694 55.803 -0.054 0.000 0.886 65 Q CB 0.816 29.538 28.738 -0.028 0.000 1.243 65 Q HN 0.656 nan 8.270 nan 0.000 0.415 66 S N 2.288 117.944 115.700 -0.073 0.000 2.774 66 S HA 0.519 4.989 4.470 -0.000 0.000 0.297 66 S C -0.892 173.662 174.600 -0.077 0.000 1.143 66 S CA -0.873 57.274 58.200 -0.090 0.000 1.090 66 S CB 0.490 63.644 63.200 -0.078 0.000 1.019 66 S HN 0.332 nan 8.310 nan 0.000 0.482 67 L N 4.265 125.431 121.223 -0.095 0.000 2.282 67 L HA 0.548 4.888 4.340 -0.000 0.000 0.288 67 L C -2.288 174.528 176.870 -0.089 0.000 1.033 67 L CA -1.972 52.822 54.840 -0.075 0.000 0.807 67 L CB 1.052 43.074 42.059 -0.061 0.000 1.209 67 L HN 0.413 nan 8.230 nan 0.000 0.423 68 P HA 0.160 nan 4.420 nan 0.000 0.280 68 P C -0.707 176.551 177.300 -0.071 0.000 1.300 68 P CA -0.175 62.886 63.100 -0.065 0.000 0.785 68 P CB 0.647 32.315 31.700 -0.053 0.000 0.874 69 T N 1.545 116.054 114.554 -0.074 0.000 2.901 69 T HA 0.690 5.040 4.350 -0.000 0.000 0.293 69 T C -0.591 174.102 174.700 -0.012 0.000 1.084 69 T CA -0.929 61.140 62.100 -0.051 0.000 1.008 69 T CB 1.317 70.165 68.868 -0.033 0.000 1.170 69 T HN 0.136 nan 8.240 nan 0.000 0.509 70 L N 1.583 122.814 121.223 0.013 0.000 2.365 70 L HA 0.592 4.932 4.340 -0.000 0.000 0.273 70 L C -0.245 176.730 176.870 0.174 0.000 1.000 70 L CA -1.488 53.380 54.840 0.047 0.000 0.819 70 L CB 2.249 44.291 42.059 -0.029 0.000 1.284 70 L HN 0.520 nan 8.230 nan 0.000 0.418 71 V N 3.957 123.978 119.914 0.178 0.000 2.508 71 V HA 0.159 4.279 4.120 -0.000 0.000 0.281 71 V C 0.961 177.154 176.094 0.165 0.000 1.041 71 V CA 0.086 62.512 62.300 0.211 0.000 1.016 71 V CB 1.131 33.113 31.823 0.266 0.000 0.984 71 V HN 0.699 nan 8.190 nan 0.000 0.478 72 R N 2.821 123.416 120.500 0.158 0.000 2.250 72 R HA 0.289 4.629 4.340 -0.000 0.000 0.194 72 R C 0.433 176.807 176.300 0.123 0.000 0.927 72 R CA 0.346 56.553 56.100 0.178 0.000 1.052 72 R CB 0.478 30.926 30.300 0.247 0.000 1.055 72 R HN 0.773 nan 8.270 nan 0.000 0.537 73 Q N -0.153 119.697 119.800 0.083 0.000 2.377 73 Q HA 0.438 4.778 4.340 -0.000 0.000 0.279 73 Q C -1.865 174.142 176.000 0.012 0.000 1.049 73 Q CA -0.525 55.315 55.803 0.062 0.000 0.825 73 Q CB 2.829 31.625 28.738 0.096 0.000 1.401 73 Q HN -0.148 nan 8.270 nan 0.000 0.404 74 V N 3.335 123.243 119.914 -0.009 0.000 2.532 74 V HA 0.320 4.440 4.120 -0.000 0.000 0.294 74 V C -1.168 174.891 176.094 -0.057 0.000 1.036 74 V CA -1.002 61.252 62.300 -0.077 0.000 0.876 74 V CB 1.773 33.484 31.823 -0.186 0.000 1.012 74 V HN 0.719 nan 8.190 nan 0.000 0.432 75 N N 4.717 123.402 118.700 -0.025 0.000 2.430 75 N HA 0.526 5.266 4.740 -0.000 0.000 0.265 75 N C -0.151 175.324 175.510 -0.059 0.000 1.100 75 N CA -0.114 52.920 53.050 -0.027 0.000 0.961 75 N CB 1.132 39.615 38.487 -0.008 0.000 1.075 75 N HN 0.571 nan 8.380 nan 0.000 0.478 76 L N 0.472 121.661 121.223 -0.057 0.000 2.642 76 L HA 0.273 4.613 4.340 -0.000 0.000 0.229 76 L C 0.957 177.798 176.870 -0.050 0.000 1.179 76 L CA -0.274 54.529 54.840 -0.061 0.000 0.834 76 L CB 0.366 42.395 42.059 -0.049 0.000 1.515 76 L HN 0.467 nan 8.230 nan 0.000 0.512 77 D N -2.077 118.295 120.400 -0.046 0.000 2.431 77 D HA 0.055 4.695 4.640 -0.000 0.000 0.213 77 D C 0.706 176.988 176.300 -0.030 0.000 1.130 77 D CA -0.003 53.974 54.000 -0.039 0.000 0.834 77 D CB 0.387 41.163 40.800 -0.040 0.000 0.985 77 D HN 0.396 nan 8.370 nan 0.000 0.504 78 K N 0.087 120.471 120.400 -0.027 0.000 10.248 78 K HA -0.310 4.010 4.320 -0.000 0.000 0.479 78 K C 0.280 176.869 176.600 -0.018 0.000 0.461 78 K CA 1.975 58.249 56.287 -0.021 0.000 1.712 78 K CB -1.503 30.986 32.500 -0.020 0.000 0.800 78 K HN 0.386 nan 8.250 nan 0.000 1.182 79 R N 3.631 124.120 120.500 -0.018 0.000 2.488 79 R HA 0.214 4.554 4.340 -0.000 0.000 0.306 79 R C -0.359 175.930 176.300 -0.018 0.000 1.271 79 R CA 0.080 56.170 56.100 -0.016 0.000 1.022 79 R CB 0.131 30.422 30.300 -0.016 0.000 1.054 79 R HN 0.305 nan 8.270 nan 0.000 0.500 80 R N 1.776 122.266 120.500 -0.016 0.000 3.088 80 R HA -0.109 4.231 4.340 -0.000 0.000 0.281 80 R C -0.873 175.415 176.300 -0.021 0.000 1.097 80 R CA 0.086 56.176 56.100 -0.017 0.000 0.730 80 R CB -2.003 28.286 30.300 -0.019 0.000 1.449 80 R HN 0.864 nan 8.270 nan 0.000 0.402 81 R N 0.903 121.392 120.500 -0.019 0.000 4.623 81 R HA -0.177 4.163 4.340 -0.000 0.000 0.127 81 R C 0.519 176.801 176.300 -0.030 0.000 0.246 81 R CA 1.205 57.291 56.100 -0.022 0.000 0.862 81 R CB -0.339 29.954 30.300 -0.012 0.000 1.016 81 R HN 0.374 nan 8.270 nan 0.000 0.252 82 R N 3.298 123.772 120.500 -0.044 0.000 2.643 82 R HA 0.328 4.668 4.340 -0.000 0.000 0.269 82 R C -2.801 173.447 176.300 -0.086 0.000 1.037 82 R CA -2.011 54.054 56.100 -0.058 0.000 0.894 82 R CB 2.254 32.525 30.300 -0.050 0.000 1.238 82 R HN 0.151 nan 8.270 nan 0.000 0.459 83 P HA 0.146 nan 4.420 nan 0.000 0.282 83 P C -0.776 176.429 177.300 -0.159 0.000 1.274 83 P CA 0.042 63.035 63.100 -0.178 0.000 0.770 83 P CB 1.560 33.087 31.700 -0.288 0.000 0.867 84 E N 1.282 121.415 120.200 -0.112 0.000 2.127 84 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 84 E C 0.576 177.166 176.600 -0.017 0.000 0.964 84 E CA 0.603 56.965 56.400 -0.064 0.000 0.832 84 E CB 0.221 29.899 29.700 -0.037 0.000 0.790 84 E HN 0.587 nan 8.360 nan 0.000 0.465 85 H N -0.410 118.555 119.070 -0.175 0.000 3.046 85 H HA 0.304 4.860 4.556 -0.000 0.000 0.363 85 H C -1.504 173.691 175.328 -0.222 0.000 1.203 85 H CA -0.782 55.162 56.048 -0.173 0.000 1.169 85 H CB 1.569 31.272 29.762 -0.099 0.000 1.851 85 H HN -0.072 nan 8.280 nan 0.000 0.546 86 V N 1.483 120.934 119.914 -0.771 0.000 2.628 86 V HA 0.504 4.624 4.120 -0.000 0.000 0.306 86 V C -0.568 175.074 176.094 -0.754 0.000 1.045 86 V CA -0.881 61.019 62.300 -0.666 0.000 0.905 86 V CB 1.905 33.303 31.823 -0.709 0.000 0.997 86 V HN 0.693 nan 8.190 nan 0.000 0.436 87 D N 3.353 123.506 120.400 -0.412 0.000 2.441 87 D HA 0.532 5.172 4.640 -0.000 0.000 0.231 87 D C -0.916 175.219 176.300 -0.274 0.000 1.073 87 D CA 0.159 54.030 54.000 -0.216 0.000 0.850 87 D CB 0.925 41.769 40.800 0.074 0.000 1.062 87 D HN 0.538 nan 8.370 nan 0.000 0.524 88 F N 2.570 122.443 119.950 -0.128 0.000 2.411 88 F HA 0.287 4.814 4.527 -0.000 0.000 0.355 88 F C 0.283 175.943 175.800 -0.233 0.000 1.117 88 F CA -0.956 56.987 58.000 -0.096 0.000 1.139 88 F CB 0.819 39.791 39.000 -0.047 0.000 1.120 88 F HN 0.243 nan 8.300 nan 0.000 0.493 89 F N 5.288 125.184 119.950 -0.091 0.000 2.334 89 F HA 0.446 4.973 4.527 -0.000 0.000 0.367 89 F C -0.493 175.281 175.800 -0.044 0.000 1.115 89 F CA -1.125 56.767 58.000 -0.180 0.000 1.116 89 F CB 0.629 39.598 39.000 -0.053 0.000 1.230 89 F HN 0.029 nan 8.300 nan 0.000 0.484 90 V N 7.817 127.947 119.914 0.360 0.000 2.421 90 V HA -0.021 4.099 4.120 -0.000 0.000 0.271 90 V C 0.528 176.645 176.094 0.038 0.000 1.031 90 V CA 0.004 62.392 62.300 0.146 0.000 1.032 90 V CB 0.432 32.348 31.823 0.155 0.000 1.009 90 V HN 0.612 nan 8.190 nan 0.000 0.477 91 L N 5.021 126.164 121.223 -0.134 0.000 2.452 91 L HA 0.291 4.631 4.340 -0.000 0.000 0.267 91 L C 1.246 178.089 176.870 -0.045 0.000 1.188 91 L CA 0.337 55.061 54.840 -0.194 0.000 0.821 91 L CB 1.080 43.022 42.059 -0.196 0.000 1.102 91 L HN 0.832 nan 8.230 nan 0.000 0.470 92 S N -1.084 114.605 115.700 -0.018 0.000 3.056 92 S HA 0.149 4.619 4.470 -0.000 0.000 0.255 92 S C 0.359 174.968 174.600 0.016 0.000 1.079 92 S CA 0.362 58.584 58.200 0.036 0.000 0.810 92 S CB 0.586 63.858 63.200 0.120 0.000 0.810 92 S HN 0.888 nan 8.310 nan 0.000 0.477 93 D N 0.065 120.471 120.400 0.009 0.000 1.730 93 D HA -0.061 4.579 4.640 -0.000 0.000 0.835 93 D C 0.015 176.320 176.300 0.007 0.000 0.331 93 D CA 0.282 54.283 54.000 0.002 0.000 1.259 93 D CB -1.212 39.593 40.800 0.010 0.000 1.581 93 D HN 0.310 nan 8.370 nan 0.000 0.348 94 E N 4.297 124.516 120.200 0.032 0.000 2.568 94 E HA 0.221 4.571 4.350 -0.000 0.000 0.262 94 E C -2.107 174.506 176.600 0.022 0.000 0.961 94 E CA -0.734 55.688 56.400 0.037 0.000 0.945 94 E CB 0.397 30.136 29.700 0.066 0.000 0.924 94 E HN 0.142 nan 8.360 nan 0.000 0.467 95 P HA -0.113 nan 4.420 nan 0.000 0.263 95 P C -0.889 176.422 177.300 0.019 0.000 1.175 95 P CA 0.248 63.351 63.100 0.006 0.000 0.761 95 P CB 0.691 32.395 31.700 0.007 0.000 0.794 96 V N 3.059 122.973 119.914 -0.001 0.000 2.709 96 V HA 0.237 4.357 4.120 -0.000 0.000 0.308 96 V C -0.015 176.090 176.094 0.019 0.000 1.062 96 V CA -0.913 61.402 62.300 0.024 0.000 0.901 96 V CB 2.044 33.827 31.823 -0.066 0.000 1.003 96 V HN 0.475 nan 8.190 nan 0.000 0.425 97 E N 5.622 125.863 120.200 0.068 0.000 2.404 97 E HA 0.553 4.903 4.350 -0.000 0.000 0.261 97 E C 0.003 176.626 176.600 0.039 0.000 1.074 97 E CA 0.460 56.880 56.400 0.033 0.000 0.917 97 E CB 0.939 30.667 29.700 0.047 0.000 0.965 97 E HN 0.734 nan 8.360 nan 0.000 0.433 98 M N -0.334 119.241 119.600 -0.042 0.000 3.644 98 M HA 0.377 4.857 4.480 -0.000 0.000 0.311 98 M C -1.756 174.432 176.300 -0.187 0.000 1.411 98 M CA -0.872 54.429 55.300 0.002 0.000 0.878 98 M CB 1.268 33.890 32.600 0.037 0.000 1.848 98 M HN 0.319 nan 8.290 nan 0.000 0.502 99 Y N 0.617 120.953 120.300 0.059 0.000 2.331 99 Y HA 0.660 5.210 4.550 -0.000 0.000 0.338 99 Y C -0.706 175.200 175.900 0.010 0.000 0.976 99 Y CA -0.627 57.512 58.100 0.064 0.000 1.137 99 Y CB 2.126 40.685 38.460 0.164 0.000 1.172 99 Y HN 0.399 nan 8.280 nan 0.000 0.478 100 V N 6.564 126.456 119.914 -0.036 0.000 2.357 100 V HA 0.326 4.446 4.120 -0.000 0.000 0.284 100 V C -2.243 173.726 176.094 -0.208 0.000 1.018 100 V CA -2.596 59.636 62.300 -0.113 0.000 0.841 100 V CB 1.241 33.007 31.823 -0.095 0.000 0.991 100 V HN 0.615 nan 8.190 nan 0.000 0.437 101 P HA -0.032 nan 4.420 nan 0.000 0.264 101 P C -0.741 176.428 177.300 -0.218 0.000 1.173 101 P CA 0.103 62.968 63.100 -0.393 0.000 0.761 101 P CB 0.378 31.892 31.700 -0.309 0.000 0.794 102 L N 3.782 124.845 121.223 -0.266 0.000 2.318 102 L HA 0.363 4.703 4.340 -0.000 0.000 0.277 102 L C 0.412 176.952 176.870 -0.551 0.000 1.008 102 L CA -0.227 54.418 54.840 -0.325 0.000 0.846 102 L CB 0.703 42.565 42.059 -0.328 0.000 1.220 102 L HN 0.219 nan 8.230 nan 0.000 0.423 103 R N 3.635 123.948 120.500 -0.311 0.000 2.254 103 R HA 0.390 4.730 4.340 -0.000 0.000 0.318 103 R C -1.323 174.834 176.300 -0.238 0.000 1.031 103 R CA -0.420 55.506 56.100 -0.290 0.000 0.905 103 R CB 0.526 30.769 30.300 -0.095 0.000 1.050 103 R HN 0.318 nan 8.270 nan 0.000 0.456 104 F N 5.006 124.957 119.950 0.002 0.000 2.329 104 F HA 0.183 4.710 4.527 -0.000 0.000 0.362 104 F C 0.319 176.108 175.800 -0.018 0.000 1.113 104 F CA -0.933 57.068 58.000 0.001 0.000 1.212 104 F CB 1.292 40.299 39.000 0.011 0.000 1.509 104 F HN 0.175 nan 8.300 nan 0.000 0.546 105 V N 4.366 124.358 119.914 0.131 0.000 2.381 105 V HA 0.761 4.881 4.120 -0.000 0.000 0.257 105 V C 0.258 176.388 176.094 0.059 0.000 1.057 105 V CA 0.880 63.210 62.300 0.050 0.000 1.013 105 V CB -0.231 31.593 31.823 0.000 0.000 1.069 105 V HN 0.836 nan 8.190 nan 0.000 0.484 106 G N 4.360 113.190 108.800 0.051 0.000 2.335 106 G HA2 0.445 4.405 3.960 -0.000 0.000 0.291 106 G HA3 0.445 4.405 3.960 -0.000 0.000 0.291 106 G C -0.556 174.358 174.900 0.024 0.000 1.261 106 G CA 0.146 45.265 45.100 0.032 0.000 0.871 106 G HN 0.700 nan 8.290 nan 0.000 0.491 107 T N 2.698 117.258 114.554 0.011 0.000 3.824 107 T HA 0.361 4.711 4.350 -0.000 0.000 0.232 107 T C -2.742 171.956 174.700 -0.003 0.000 0.927 107 T CA -0.357 61.747 62.100 0.006 0.000 1.620 107 T CB 1.177 70.049 68.868 0.006 0.000 0.762 107 T HN 0.661 nan 8.240 nan 0.000 0.619 108 P HA -0.103 nan 4.420 nan 0.000 0.261 108 P C 1.101 178.393 177.300 -0.014 0.000 1.133 108 P CA 0.354 63.441 63.100 -0.022 0.000 0.756 108 P CB 0.502 32.179 31.700 -0.037 0.000 0.726 109 A N 4.290 127.102 122.820 -0.013 0.000 2.032 109 A HA -0.066 4.254 4.320 -0.000 0.000 0.221 109 A C 1.777 179.355 177.584 -0.009 0.000 1.165 109 A CA 1.524 53.556 52.037 -0.009 0.000 0.645 109 A CB -1.127 17.868 19.000 -0.008 0.000 0.807 109 A HN 0.697 nan 8.150 nan 0.000 0.453 110 G N 0.390 109.183 108.800 -0.013 0.000 2.843 110 G HA2 0.389 4.349 3.960 -0.000 0.000 0.275 110 G HA3 0.389 4.349 3.960 -0.000 0.000 0.275 110 G C 0.031 174.926 174.900 -0.009 0.000 0.709 110 G CA 0.700 45.793 45.100 -0.011 0.000 2.089 110 G HN 1.281 nan 8.290 nan 0.000 0.571 111 V N -1.000 118.910 119.914 -0.006 0.000 3.333 111 V HA 0.560 4.680 4.120 -0.000 0.000 0.288 111 V C 0.010 176.103 176.094 -0.002 0.000 0.895 111 V CA -0.891 61.407 62.300 -0.003 0.000 1.226 111 V CB 0.264 32.086 31.823 -0.002 0.000 0.873 111 V HN 0.358 nan 8.190 nan 0.000 0.492 112 R N 3.492 123.991 120.500 -0.002 0.000 2.789 112 R HA 0.706 5.046 4.340 -0.000 0.000 0.166 112 R C 1.451 177.751 176.300 -0.000 0.000 0.957 112 R CA 1.441 57.541 56.100 -0.001 0.000 1.084 112 R CB 0.219 30.518 30.300 -0.001 0.000 1.312 112 R HN 0.770 nan 8.270 nan 0.000 0.546 113 A N 0.062 122.882 122.820 -0.000 0.000 2.708 113 A HA 0.610 4.930 4.320 -0.000 0.000 0.293 113 A C -0.143 177.441 177.584 0.000 0.000 1.303 113 A CA 0.077 52.115 52.037 0.000 0.000 0.949 113 A CB -0.516 18.484 19.000 0.000 0.000 1.121 113 A HN 0.578 nan 8.150 nan 0.000 0.542 114 G N -1.143 107.657 108.800 0.001 0.000 3.445 114 G HA2 0.463 4.423 3.960 -0.000 0.000 0.686 114 G HA3 0.463 4.423 3.960 -0.000 0.000 0.686 114 G C -0.132 174.768 174.900 -0.000 0.000 1.113 114 G CA -0.301 44.800 45.100 0.001 0.000 0.974 114 G HN 1.552 nan 8.290 nan 0.000 0.492 115 G N -0.708 108.092 108.800 -0.000 0.000 2.667 115 G HA2 0.901 4.861 3.960 -0.000 0.000 0.298 115 G HA3 0.901 4.861 3.960 -0.000 0.000 0.298 115 G C -1.011 173.888 174.900 -0.002 0.000 1.377 115 G CA -0.245 44.854 45.100 -0.003 0.000 0.964 115 G HN 1.475 nan 8.290 nan 0.000 0.493 116 V N 1.487 121.398 119.914 -0.004 0.000 2.760 116 V HA 0.414 4.534 4.120 -0.000 0.000 0.309 116 V C -0.717 175.370 176.094 -0.012 0.000 1.077 116 V CA -0.733 61.565 62.300 -0.003 0.000 0.910 116 V CB 1.947 33.772 31.823 0.003 0.000 1.008 116 V HN 0.729 nan 8.190 nan 0.000 0.424 117 L N 4.347 125.562 121.223 -0.015 0.000 2.397 117 L HA 0.417 4.757 4.340 -0.000 0.000 0.263 117 L C 0.528 177.383 176.870 -0.026 0.000 1.136 117 L CA 0.332 55.148 54.840 -0.041 0.000 1.019 117 L CB 0.571 42.590 42.059 -0.065 0.000 1.352 117 L HN 0.831 nan 8.230 nan 0.000 0.420 118 Q N 3.011 122.801 119.800 -0.016 0.000 2.239 118 Q HA -0.021 4.319 4.340 -0.000 0.000 0.286 118 Q C 0.431 176.436 176.000 0.009 0.000 1.102 118 Q CA 0.157 55.965 55.803 0.007 0.000 0.936 118 Q CB 0.664 29.406 28.738 0.005 0.000 1.127 118 Q HN 0.665 nan 8.270 nan 0.000 0.380 119 E N 6.401 126.641 120.200 0.065 0.000 2.705 119 E HA -0.069 4.281 4.350 -0.000 0.000 0.272 119 E C 0.690 177.393 176.600 0.172 0.000 1.528 119 E CA -0.036 56.452 56.400 0.147 0.000 1.750 119 E CB -0.487 29.390 29.700 0.296 0.000 1.439 119 E HN 0.802 nan 8.360 nan 0.000 0.449 120 I N 0.491 121.121 120.570 0.099 0.000 2.661 120 I HA -0.387 3.783 4.170 -0.000 0.000 0.221 120 I C 1.299 177.521 176.117 0.175 0.000 0.909 120 I CA 1.986 63.341 61.300 0.092 0.000 1.212 120 I CB -0.411 37.620 38.000 0.051 0.000 0.929 120 I HN 0.482 nan 8.210 nan 0.000 0.375 121 H N -0.650 118.509 119.070 0.147 0.000 2.495 121 H HA 0.388 4.944 4.556 -0.000 0.000 0.348 121 H C 0.215 175.705 175.328 0.270 0.000 1.113 121 H CA -0.833 55.322 56.048 0.177 0.000 1.195 121 H CB 0.928 30.786 29.762 0.159 0.000 1.521 121 H HN 0.184 nan 8.280 nan 0.000 0.509 122 R N 1.536 122.211 120.500 0.292 0.000 2.538 122 R HA 0.238 4.578 4.340 -0.000 0.000 0.372 122 R C -1.169 175.108 176.300 -0.039 0.000 0.950 122 R CA -0.296 55.883 56.100 0.132 0.000 1.168 122 R CB 0.579 30.951 30.300 0.120 0.000 1.542 122 R HN 0.410 nan 8.270 nan 0.000 0.536 123 D N 2.276 122.654 120.400 -0.036 0.000 2.445 123 D HA 0.200 4.840 4.640 -0.000 0.000 0.236 123 D C -0.286 176.005 176.300 -0.016 0.000 1.315 123 D CA -0.443 53.545 54.000 -0.019 0.000 0.924 123 D CB 1.211 42.089 40.800 0.131 0.000 1.447 123 D HN 0.286 nan 8.370 nan 0.000 0.532 124 I N -1.541 118.915 120.570 -0.190 0.000 2.720 124 I HA 0.431 4.601 4.170 -0.000 0.000 0.287 124 I C -0.403 175.528 176.117 -0.310 0.000 1.090 124 I CA -0.764 60.373 61.300 -0.272 0.000 1.384 124 I CB 1.170 39.051 38.000 -0.199 0.000 1.420 124 I HN 0.211 nan 8.210 nan 0.000 0.575 125 L N 6.676 127.640 121.223 -0.433 0.000 2.289 125 L HA 0.645 4.985 4.340 -0.000 0.000 0.285 125 L C -0.254 176.447 176.870 -0.282 0.000 1.049 125 L CA -0.592 53.882 54.840 -0.610 0.000 0.804 125 L CB 1.347 42.952 42.059 -0.757 0.000 1.195 125 L HN 0.731 nan 8.230 nan 0.000 0.428 126 V N 1.786 121.566 119.914 -0.223 0.000 3.126 126 V HA 0.618 4.738 4.120 -0.000 0.000 0.314 126 V C -1.044 174.999 176.094 -0.084 0.000 1.138 126 V CA -1.088 61.140 62.300 -0.120 0.000 1.034 126 V CB 2.085 33.852 31.823 -0.093 0.000 1.075 126 V HN 0.733 nan 8.190 nan 0.000 0.442 127 K N 1.384 121.753 120.400 -0.050 0.000 2.235 127 K HA 0.850 5.170 4.320 -0.000 0.000 0.266 127 K C -1.101 175.482 176.600 -0.027 0.000 0.980 127 K CA -0.545 55.725 56.287 -0.028 0.000 0.849 127 K CB 1.889 34.382 32.500 -0.013 0.000 1.098 127 K HN 0.740 nan 8.250 nan 0.000 0.445 128 V N 0.882 120.780 119.914 -0.025 0.000 3.282 128 V HA 0.327 4.447 4.120 -0.000 0.000 0.295 128 V C -1.421 174.657 176.094 -0.027 0.000 1.451 128 V CA -0.688 61.596 62.300 -0.027 0.000 1.062 128 V CB 2.514 34.315 31.823 -0.036 0.000 1.128 128 V HN 0.950 nan 8.190 nan 0.000 0.456 129 S N 2.973 118.656 115.700 -0.027 0.000 2.585 129 S HA 0.570 5.040 4.470 -0.000 0.000 0.277 129 S C -2.140 172.436 174.600 -0.040 0.000 1.241 129 S CA -0.995 57.188 58.200 -0.029 0.000 1.041 129 S CB 1.351 64.538 63.200 -0.021 0.000 0.987 129 S HN 0.652 nan 8.310 nan 0.000 0.512 130 P HA -0.107 nan 4.420 nan 0.000 0.220 130 P C 1.220 178.493 177.300 -0.044 0.000 1.144 130 P CA 1.126 64.191 63.100 -0.058 0.000 0.800 130 P CB 0.087 31.747 31.700 -0.067 0.000 0.772 131 R N -0.805 119.672 120.500 -0.038 0.000 2.057 131 R HA 0.030 4.370 4.340 -0.000 0.000 0.229 131 R C 0.533 176.810 176.300 -0.039 0.000 1.136 131 R CA 0.943 57.021 56.100 -0.036 0.000 0.952 131 R CB -0.542 29.739 30.300 -0.030 0.000 0.848 131 R HN 0.218 nan 8.270 nan 0.000 0.430 132 N N 1.888 120.565 118.700 -0.037 0.000 3.298 132 N HA 0.085 4.825 4.740 -0.000 0.000 0.292 132 N C -0.688 174.795 175.510 -0.045 0.000 1.271 132 N CA 0.306 53.331 53.050 -0.041 0.000 1.184 132 N CB 0.491 38.956 38.487 -0.037 0.000 1.452 132 N HN 0.119 nan 8.380 nan 0.000 0.534 133 I N 3.083 123.626 120.570 -0.045 0.000 2.256 133 I HA 0.187 4.357 4.170 -0.000 0.000 0.294 133 I C -1.426 174.658 176.117 -0.056 0.000 1.127 133 I CA -1.588 59.689 61.300 -0.039 0.000 1.247 133 I CB -0.159 37.832 38.000 -0.015 0.000 1.460 133 I HN 0.013 nan 8.210 nan 0.000 0.511 134 P HA 0.242 nan 4.420 nan 0.000 0.285 134 P C -0.056 177.175 177.300 -0.116 0.000 1.282 134 P CA 0.106 63.138 63.100 -0.114 0.000 0.778 134 P CB 1.874 33.511 31.700 -0.104 0.000 1.222 135 E N -1.433 118.646 120.200 -0.201 0.000 3.421 135 E HA 0.108 4.458 4.350 -0.000 0.000 0.218 135 E C 0.629 177.153 176.600 -0.127 0.000 1.197 135 E CA -0.043 56.267 56.400 -0.150 0.000 0.900 135 E CB -0.374 29.211 29.700 -0.192 0.000 3.249 135 E HN 0.409 nan 8.360 nan 0.000 0.567 136 F N 2.186 122.116 119.950 -0.032 0.000 2.660 136 F HA 0.259 4.786 4.527 -0.000 0.000 0.342 136 F C 0.117 175.872 175.800 -0.075 0.000 1.222 136 F CA -0.725 57.234 58.000 -0.067 0.000 1.396 136 F CB -0.846 38.118 39.000 -0.059 0.000 1.466 136 F HN -0.021 nan 8.300 nan 0.000 0.588 137 I N 3.215 123.818 120.570 0.055 0.000 3.477 137 I HA -0.200 3.970 4.170 -0.000 0.000 0.295 137 I C 1.057 177.226 176.117 0.087 0.000 1.225 137 I CA 0.207 61.534 61.300 0.046 0.000 1.431 137 I CB -1.431 36.559 38.000 -0.018 0.000 1.516 137 I HN 0.600 nan 8.210 nan 0.000 0.603 138 E N 5.600 125.896 120.200 0.159 0.000 2.390 138 E HA 0.460 4.810 4.350 -0.000 0.000 0.261 138 E C -0.924 175.748 176.600 0.119 0.000 1.076 138 E CA -0.703 55.772 56.400 0.125 0.000 0.905 138 E CB 1.495 31.271 29.700 0.127 0.000 0.984 138 E HN 0.225 nan 8.360 nan 0.000 0.427 139 V N 2.903 122.919 119.914 0.170 0.000 2.532 139 V HA 0.076 4.196 4.120 -0.000 0.000 0.294 139 V C -1.078 175.129 176.094 0.188 0.000 1.036 139 V CA -1.031 61.386 62.300 0.194 0.000 0.876 139 V CB 1.309 33.307 31.823 0.291 0.000 1.012 139 V HN 0.867 nan 8.190 nan 0.000 0.432 140 D N 3.849 124.311 120.400 0.102 0.000 2.390 140 D HA 0.242 4.882 4.640 -0.000 0.000 0.236 140 D C 0.651 176.975 176.300 0.040 0.000 1.189 140 D CA -0.153 53.887 54.000 0.066 0.000 0.887 140 D CB 1.204 42.027 40.800 0.039 0.000 1.198 140 D HN 0.186 nan 8.370 nan 0.000 0.444 141 V N -0.348 119.577 119.914 0.018 0.000 3.332 141 V HA -0.090 4.030 4.120 -0.000 0.000 0.263 141 V C 2.142 178.225 176.094 -0.017 0.000 1.562 141 V CA 0.507 62.794 62.300 -0.022 0.000 1.040 141 V CB -0.300 31.495 31.823 -0.047 0.000 0.857 141 V HN 0.756 nan 8.190 nan 0.000 0.428 142 S N 2.595 118.293 115.700 -0.003 0.000 2.451 142 S HA -0.272 4.198 4.470 -0.000 0.000 0.272 142 S C 1.615 176.209 174.600 -0.010 0.000 1.136 142 S CA 2.131 60.328 58.200 -0.004 0.000 1.209 142 S CB -1.212 61.989 63.200 0.000 0.000 1.130 142 S HN 0.926 nan 8.310 nan 0.000 0.440 143 G N 1.448 110.241 108.800 -0.011 0.000 3.717 143 G HA2 0.546 4.505 3.960 -0.000 0.000 0.258 143 G HA3 0.546 4.505 3.960 -0.000 0.000 0.258 143 G C -0.356 174.533 174.900 -0.018 0.000 1.088 143 G CA -0.443 44.649 45.100 -0.013 0.000 1.737 143 G HN 0.401 nan 8.290 nan 0.000 0.648 144 L N 1.375 122.584 121.223 -0.023 0.000 2.457 144 L HA 0.376 4.716 4.340 -0.000 0.000 0.252 144 L C 0.109 176.965 176.870 -0.023 0.000 1.132 144 L CA -0.495 54.328 54.840 -0.028 0.000 0.938 144 L CB 0.855 42.886 42.059 -0.048 0.000 1.246 144 L HN 0.284 nan 8.230 nan 0.000 0.476 145 E N 0.906 121.097 120.200 -0.015 0.000 2.397 145 E HA 0.128 4.478 4.350 -0.000 0.000 0.254 145 E C 1.662 178.256 176.600 -0.011 0.000 1.231 145 E CA -0.071 56.322 56.400 -0.011 0.000 0.954 145 E CB 0.942 30.637 29.700 -0.007 0.000 1.024 145 E HN 0.434 nan 8.360 nan 0.000 0.481 146 I N -1.070 119.495 120.570 -0.008 0.000 2.805 146 I HA -0.377 3.793 4.170 -0.000 0.000 0.209 146 I C 1.689 177.802 176.117 -0.006 0.000 0.894 146 I CA 2.167 63.463 61.300 -0.007 0.000 1.196 146 I CB -1.286 36.711 38.000 -0.004 0.000 0.913 146 I HN 0.551 nan 8.210 nan 0.000 0.358 147 G N 1.231 110.029 108.800 -0.003 0.000 2.518 147 G HA2 -0.092 3.867 3.960 -0.000 0.000 0.213 147 G HA3 -0.092 3.867 3.960 -0.000 0.000 0.213 147 G C 0.136 175.038 174.900 0.003 0.000 1.226 147 G CA 0.720 45.820 45.100 -0.000 0.000 0.822 147 G HN 0.799 nan 8.290 nan 0.000 0.546 148 D N 0.102 120.505 120.400 0.005 0.000 2.567 148 D HA 0.289 4.929 4.640 -0.000 0.000 0.228 148 D C -0.098 176.210 176.300 0.014 0.000 1.185 148 D CA 0.387 54.394 54.000 0.012 0.000 0.874 148 D CB 0.488 41.292 40.800 0.005 0.000 1.219 148 D HN 0.175 nan 8.370 nan 0.000 0.494 149 S N 0.120 115.841 115.700 0.036 0.000 2.618 149 S HA 0.545 5.015 4.470 -0.000 0.000 0.277 149 S C -0.862 173.779 174.600 0.068 0.000 1.138 149 S CA -1.076 57.153 58.200 0.049 0.000 0.844 149 S CB 1.357 64.599 63.200 0.071 0.000 1.127 149 S HN 0.670 nan 8.310 nan 0.000 0.474 150 L N 1.909 123.162 121.223 0.049 0.000 2.334 150 L HA 0.956 5.296 4.340 -0.000 0.000 0.270 150 L C -0.970 175.971 176.870 0.119 0.000 1.018 150 L CA -0.181 54.657 54.840 -0.003 0.000 0.811 150 L CB 1.486 43.526 42.059 -0.033 0.000 1.271 150 L HN 1.085 nan 8.230 nan 0.000 0.443 151 H N 1.928 121.011 119.070 0.021 0.000 2.901 151 H HA 0.704 5.260 4.556 -0.000 0.000 0.267 151 H C -0.667 174.692 175.328 0.052 0.000 1.434 151 H CA -0.543 55.533 56.048 0.047 0.000 1.215 151 H CB 0.033 29.822 29.762 0.045 0.000 1.825 151 H HN 1.518 nan 8.280 nan 0.000 0.470 152 A N -0.060 122.913 122.820 0.254 0.000 6.482 152 A HA -0.031 4.289 4.320 -0.000 0.000 0.246 152 A C 1.418 179.054 177.584 0.086 0.000 2.334 152 A CA 0.609 52.747 52.037 0.168 0.000 0.670 152 A CB -2.004 17.085 19.000 0.149 0.000 1.088 152 A HN 1.893 nan 8.150 nan 0.000 0.363 153 S N -0.054 115.683 115.700 0.061 0.000 2.641 153 S HA 0.015 4.485 4.470 -0.000 0.000 0.239 153 S C 0.477 175.090 174.600 0.021 0.000 0.972 153 S CA 1.291 59.512 58.200 0.035 0.000 0.954 153 S CB -1.003 62.212 63.200 0.025 0.000 0.767 153 S HN 0.618 nan 8.310 nan 0.000 0.539 154 D N 2.780 123.186 120.400 0.011 0.000 2.941 154 D HA 0.209 4.849 4.640 -0.000 0.000 0.236 154 D C 0.314 176.618 176.300 0.007 0.000 1.147 154 D CA 0.241 54.236 54.000 -0.008 0.000 0.975 154 D CB -0.584 40.186 40.800 -0.050 0.000 1.162 154 D HN 0.605 nan 8.370 nan 0.000 0.444 155 L N -3.620 117.615 121.223 0.020 0.000 2.510 155 L HA 0.609 4.949 4.340 -0.000 0.000 0.252 155 L C -0.420 176.466 176.870 0.028 0.000 1.091 155 L CA -1.549 53.312 54.840 0.034 0.000 0.888 155 L CB 1.252 43.346 42.059 0.058 0.000 1.507 155 L HN -0.454 nan 8.230 nan 0.000 0.407 156 K N 1.295 121.716 120.400 0.036 0.000 2.440 156 K HA 0.246 4.566 4.320 -0.000 0.000 0.275 156 K C -0.960 175.648 176.600 0.014 0.000 1.082 156 K CA 0.846 57.150 56.287 0.029 0.000 1.135 156 K CB -0.474 32.053 32.500 0.045 0.000 0.864 156 K HN 0.527 nan 8.250 nan 0.000 0.479 157 L N 7.768 128.995 121.223 0.005 0.000 2.384 157 L HA 0.340 4.680 4.340 -0.000 0.000 0.261 157 L C -1.785 175.077 176.870 -0.012 0.000 1.024 157 L CA -2.116 52.721 54.840 -0.005 0.000 0.899 157 L CB 1.316 43.372 42.059 -0.004 0.000 1.243 157 L HN 0.601 nan 8.230 nan 0.000 0.449 158 P HA -0.009 nan 4.420 nan 0.000 0.275 158 P C -2.498 174.786 177.300 -0.026 0.000 1.271 158 P CA -0.492 62.590 63.100 -0.030 0.000 0.861 158 P CB -0.250 31.422 31.700 -0.046 0.000 1.071 159 P HA 0.217 nan 4.420 nan 0.000 0.281 159 P C 0.187 177.472 177.300 -0.026 0.000 1.286 159 P CA 0.430 63.515 63.100 -0.025 0.000 0.772 159 P CB 0.250 31.934 31.700 -0.027 0.000 0.862 160 G N 2.563 111.351 108.800 -0.021 0.000 2.295 160 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.287 160 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.287 160 G C -0.043 174.842 174.900 -0.024 0.000 1.055 160 G CA -0.108 44.980 45.100 -0.020 0.000 0.922 160 G HN 0.472 nan 8.290 nan 0.000 0.503 161 V N 1.320 121.219 119.914 -0.025 0.000 2.462 161 V HA 0.307 4.427 4.120 -0.000 0.000 0.257 161 V C 0.459 176.537 176.094 -0.027 0.000 0.944 161 V CA -0.573 61.709 62.300 -0.031 0.000 0.903 161 V CB 0.856 32.657 31.823 -0.038 0.000 1.128 161 V HN 0.616 nan 8.190 nan 0.000 0.486 162 E N 4.014 124.201 120.200 -0.023 0.000 2.342 162 E HA 0.528 4.878 4.350 -0.000 0.000 0.257 162 E C -0.138 176.446 176.600 -0.027 0.000 1.150 162 E CA -0.465 55.924 56.400 -0.018 0.000 0.926 162 E CB 2.426 32.119 29.700 -0.011 0.000 1.074 162 E HN 0.557 nan 8.360 nan 0.000 0.449 163 L N -2.188 119.022 121.223 -0.022 0.000 2.664 163 L HA 0.897 5.237 4.340 -0.000 0.000 0.253 163 L C -0.622 176.232 176.870 -0.026 0.000 1.293 163 L CA -1.129 53.691 54.840 -0.033 0.000 1.280 163 L CB 1.306 43.350 42.059 -0.026 0.000 1.993 163 L HN 0.565 nan 8.230 nan 0.000 0.577 164 A N -0.139 122.664 122.820 -0.027 0.000 2.679 164 A HA 0.687 5.007 4.320 -0.000 0.000 0.288 164 A C -0.412 177.181 177.584 0.015 0.000 1.160 164 A CA -0.121 51.910 52.037 -0.010 0.000 0.763 164 A CB 1.099 20.082 19.000 -0.028 0.000 1.270 164 A HN 0.653 nan 8.150 nan 0.000 0.417 165 V N 1.081 121.015 119.914 0.032 0.000 6.173 165 V HA 0.149 4.269 4.120 -0.000 0.000 0.089 165 V C 1.276 177.401 176.094 0.051 0.000 1.031 165 V CA 1.044 63.378 62.300 0.056 0.000 0.769 165 V CB 0.298 32.167 31.823 0.077 0.000 1.094 165 V HN 1.351 nan 8.190 nan 0.000 0.708 166 S N -0.947 114.783 115.700 0.049 0.000 4.419 166 S HA 0.136 4.606 4.470 -0.000 0.000 0.161 166 S C -2.509 172.116 174.600 0.042 0.000 1.008 166 S CA 0.358 58.585 58.200 0.045 0.000 1.336 166 S CB -0.684 62.547 63.200 0.052 0.000 1.536 166 S HN 0.604 nan 8.310 nan 0.000 0.429 167 P HA 0.804 nan 4.420 nan 0.000 0.301 167 P C -0.617 176.749 177.300 0.110 0.000 1.338 167 P CA 0.098 63.243 63.100 0.075 0.000 0.834 167 P CB 2.223 33.962 31.700 0.065 0.000 0.967 168 E N 0.880 121.159 120.200 0.132 0.000 2.653 168 E HA 0.031 4.381 4.350 -0.000 0.000 0.218 168 E C 0.062 176.740 176.600 0.130 0.000 0.911 168 E CA -0.013 56.488 56.400 0.169 0.000 1.355 168 E CB -0.032 29.723 29.700 0.093 0.000 1.314 168 E HN 0.424 nan 8.360 nan 0.000 0.686 169 E N 1.322 121.594 120.200 0.121 0.000 2.603 169 E HA 0.008 4.358 4.350 -0.000 0.000 0.242 169 E C -0.804 175.871 176.600 0.125 0.000 1.083 169 E CA 0.373 56.834 56.400 0.102 0.000 0.950 169 E CB 0.137 29.946 29.700 0.182 0.000 0.952 169 E HN 0.017 nan 8.360 nan 0.000 0.498 170 T N 6.369 120.893 114.554 -0.051 0.000 2.829 170 T HA 0.088 4.438 4.350 -0.000 0.000 0.293 170 T C 1.432 176.209 174.700 0.129 0.000 0.970 170 T CA 0.214 62.277 62.100 -0.063 0.000 1.168 170 T CB 0.032 68.755 68.868 -0.240 0.000 0.911 170 T HN 0.592 nan 8.240 nan 0.000 0.535 171 I N -0.087 120.624 120.570 0.235 0.000 3.708 171 I HA 0.632 4.802 4.170 -0.000 0.000 0.302 171 I C 0.766 176.995 176.117 0.186 0.000 1.255 171 I CA -0.423 61.048 61.300 0.284 0.000 1.362 171 I CB 0.164 38.337 38.000 0.287 0.000 1.100 171 I HN 0.578 nan 8.210 nan 0.000 0.434 172 A N 1.101 123.964 122.820 0.072 0.000 2.597 172 A HA 0.876 5.196 4.320 -0.000 0.000 0.292 172 A C -1.506 176.051 177.584 -0.045 0.000 1.057 172 A CA -0.031 51.969 52.037 -0.062 0.000 0.674 172 A CB 1.247 20.048 19.000 -0.332 0.000 1.278 172 A HN 0.609 nan 8.150 nan 0.000 0.416 173 A N 0.270 123.049 122.820 -0.068 0.000 2.518 173 A HA 0.582 4.902 4.320 -0.000 0.000 0.295 173 A C -1.163 176.394 177.584 -0.045 0.000 1.052 173 A CA -0.316 51.697 52.037 -0.039 0.000 0.824 173 A CB 0.672 19.665 19.000 -0.012 0.000 1.325 173 A HN 1.726 nan 8.150 nan 0.000 0.394 174 V N 3.425 123.313 119.914 -0.044 0.000 2.439 174 V HA 0.408 4.528 4.120 -0.000 0.000 0.271 174 V C 0.728 176.811 176.094 -0.019 0.000 1.040 174 V CA 0.226 62.505 62.300 -0.035 0.000 1.002 174 V CB 0.622 32.424 31.823 -0.035 0.000 1.000 174 V HN 1.250 nan 8.190 nan 0.000 0.477 175 V N 4.702 124.607 119.914 -0.014 0.000 2.994 175 V HA 0.766 4.886 4.120 -0.000 0.000 0.318 175 V C -2.374 173.717 176.094 -0.005 0.000 1.085 175 V CA -2.576 59.719 62.300 -0.008 0.000 0.998 175 V CB 1.876 33.696 31.823 -0.006 0.000 1.063 175 V HN 0.654 nan 8.190 nan 0.000 0.447 176 P HA 0.261 nan 4.420 nan 0.000 0.267 176 P C -2.553 174.746 177.300 -0.000 0.000 1.200 176 P CA -0.511 62.588 63.100 -0.002 0.000 0.772 176 P CB -0.191 31.508 31.700 -0.001 0.000 0.855 177 P HA 0.197 nan 4.420 nan 0.000 0.276 177 P C -0.357 176.944 177.300 0.002 0.000 1.261 177 P CA -0.236 62.865 63.100 0.002 0.000 0.800 177 P CB 0.993 32.695 31.700 0.002 0.000 1.066 178 E N 1.147 121.349 120.200 0.003 0.000 2.152 178 E HA 0.170 4.520 4.350 -0.000 0.000 0.285 178 E C -0.511 176.091 176.600 0.003 0.000 1.043 178 E CA -0.021 56.381 56.400 0.003 0.000 0.839 178 E CB 0.674 30.376 29.700 0.004 0.000 1.069 178 E HN 0.367 nan 8.360 nan 0.000 0.399 179 D N 2.068 122.469 120.400 0.002 0.000 2.198 179 D HA 0.068 4.708 4.640 -0.000 0.000 0.247 179 D C 0.091 176.392 176.300 0.002 0.000 1.010 179 D CA -0.767 53.234 54.000 0.002 0.000 0.880 179 D CB 2.113 42.914 40.800 0.002 0.000 1.209 179 D HN 0.107 nan 8.370 nan 0.000 0.451 180 V N 3.121 123.037 119.914 0.002 0.000 3.515 180 V HA -0.012 4.108 4.120 -0.000 0.000 0.298 180 V C -0.089 176.006 176.094 0.002 0.000 1.206 180 V CA 0.706 63.008 62.300 0.002 0.000 1.253 180 V CB -0.747 31.078 31.823 0.002 0.000 1.035 180 V HN 0.320 nan 8.190 nan 0.000 0.428 181 E N 1.929 122.130 120.200 0.002 0.000 2.206 181 E HA 0.347 4.697 4.350 -0.000 0.000 0.244 181 E C -0.400 176.201 176.600 0.001 0.000 1.055 181 E CA -0.201 56.200 56.400 0.001 0.000 0.970 181 E CB 0.454 30.155 29.700 0.001 0.000 1.256 181 E HN 0.228 nan 8.360 nan 0.000 0.456 182 K N 2.125 122.526 120.400 0.001 0.000 2.535 182 K HA 0.477 4.797 4.320 -0.000 0.000 0.253 182 K C -0.894 175.707 176.600 0.001 0.000 0.953 182 K CA -0.758 55.529 56.287 0.001 0.000 0.863 182 K CB 1.840 34.340 32.500 0.001 0.000 1.111 182 K HN 0.243 nan 8.250 nan 0.000 0.431 183 L N 1.658 122.882 121.223 0.001 0.000 3.481 183 L HA 0.615 4.955 4.340 -0.000 0.000 0.267 183 L C -2.070 174.800 176.870 0.001 0.000 0.972 183 L CA 0.024 54.865 54.840 0.001 0.000 1.150 183 L CB 1.371 43.430 42.059 0.001 0.000 1.902 183 L HN 0.717 nan 8.230 nan 0.000 0.561 184 A N 3.719 126.539 122.820 0.001 0.000 2.571 184 A HA 0.763 5.083 4.320 -0.000 0.000 0.296 184 A C -1.391 176.193 177.584 0.000 0.000 1.005 184 A CA -0.444 51.594 52.037 0.000 0.000 0.682 184 A CB 1.637 20.637 19.000 0.000 0.000 1.292 184 A HN 0.667 nan 8.150 nan 0.000 0.420 185 E N -0.438 119.762 120.200 0.000 0.000 2.245 185 E HA 0.517 4.867 4.350 -0.000 0.000 0.199 185 E C 0.288 176.888 176.600 0.000 0.000 0.951 185 E CA 0.320 56.720 56.400 0.000 0.000 0.866 185 E CB 0.539 30.239 29.700 0.000 0.000 2.026 185 E HN 0.778 nan 8.360 nan 0.000 0.436 186 E N -1.436 118.764 120.200 -0.000 0.000 4.665 186 E HA -0.346 4.004 4.350 -0.000 0.000 0.181 186 E C -0.037 176.563 176.600 -0.000 0.000 1.307 186 E CA 1.633 58.033 56.400 -0.000 0.000 2.299 186 E CB -0.924 28.776 29.700 -0.000 0.000 1.862 186 E HN 0.549 nan 8.360 nan 0.000 0.373 187 A N 0.000 122.820 122.820 -0.000 0.000 2.254 187 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 187 A CA 0.000 nan 52.037 nan 0.000 0.836 187 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 187 A HN 0.000 nan 8.150 nan 0.000 0.486