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 2w6e_1_E DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.853 174.700 0.255 0.000 1.109 9 T CA 0.000 62.211 62.100 0.185 0.000 1.349 9 T CB 0.000 68.997 68.868 0.215 0.000 0.612 10 T N 1.873 116.543 114.554 0.194 0.000 2.809 10 T HA 0.723 5.070 4.350 -0.004 0.000 0.296 10 T C 0.644 175.261 174.700 -0.139 0.000 1.015 10 T CA -0.570 61.566 62.100 0.060 0.000 0.954 10 T CB 1.311 70.188 68.868 0.015 0.000 0.950 10 T HN 1.066 nan 8.240 nan 0.000 0.450 11 G N 2.251 110.742 108.800 -0.514 0.000 2.521 11 G HA2 0.721 4.679 3.960 -0.004 0.000 0.323 11 G HA3 0.721 4.679 3.960 -0.004 0.000 0.323 11 G C -0.565 174.043 174.900 -0.487 0.000 1.211 11 G CA -0.920 43.582 45.100 -0.997 0.000 0.979 11 G HN 0.565 nan 8.290 nan 0.000 0.490 12 R N -1.120 119.138 120.500 -0.403 0.000 2.828 12 R HA 0.470 4.808 4.340 -0.004 0.000 0.264 12 R C -0.425 175.759 176.300 -0.194 0.000 1.022 12 R CA -0.846 55.121 56.100 -0.222 0.000 1.021 12 R CB 2.086 32.296 30.300 -0.150 0.000 1.163 12 R HN 0.325 nan 8.270 nan 0.000 0.494 13 I N 2.535 123.033 120.570 -0.120 0.000 2.371 13 I HA 0.026 4.193 4.170 -0.004 0.000 0.290 13 I C 1.394 177.472 176.117 -0.065 0.000 1.028 13 I CA -0.095 61.155 61.300 -0.083 0.000 1.345 13 I CB 1.569 39.536 38.000 -0.055 0.000 1.407 13 I HN 0.554 nan 8.210 nan 0.000 0.501 14 V N 3.139 123.021 119.914 -0.053 0.000 3.263 14 V HA 0.509 4.626 4.120 -0.004 0.000 0.248 14 V C 0.657 176.736 176.094 -0.025 0.000 1.145 14 V CA 0.356 62.633 62.300 -0.038 0.000 1.107 14 V CB 0.052 31.856 31.823 -0.033 0.000 0.797 14 V HN 0.722 nan 8.190 nan 0.000 0.467 15 A N -0.486 122.322 122.820 -0.020 0.000 2.589 15 A HA 0.795 5.112 4.320 -0.004 0.000 0.296 15 A C -1.334 176.244 177.584 -0.009 0.000 1.062 15 A CA -0.380 51.650 52.037 -0.012 0.000 0.686 15 A CB 2.182 21.178 19.000 -0.008 0.000 1.282 15 A HN 0.459 nan 8.150 nan 0.000 0.404 16 V N 2.126 122.035 119.914 -0.008 0.000 2.488 16 V HA 0.464 4.581 4.120 -0.004 0.000 0.293 16 V C -0.898 175.194 176.094 -0.003 0.000 1.027 16 V CA 0.041 62.338 62.300 -0.005 0.000 0.862 16 V CB 1.246 33.066 31.823 -0.006 0.000 1.008 16 V HN 0.689 nan 8.190 nan 0.000 0.428 17 I N 4.931 125.500 120.570 -0.001 0.000 2.595 17 I HA 0.633 4.800 4.170 -0.004 0.000 0.275 17 I C 0.971 177.087 176.117 -0.001 0.000 1.092 17 I CA 0.201 61.500 61.300 -0.002 0.000 1.145 17 I CB 1.146 39.145 38.000 -0.001 0.000 1.276 17 I HN 0.866 nan 8.210 nan 0.000 0.497 18 G N 4.395 113.193 108.800 -0.002 0.000 2.531 18 G HA2 -0.276 3.681 3.960 -0.004 0.000 0.274 18 G HA3 -0.276 3.681 3.960 -0.004 0.000 0.274 18 G C 0.515 175.415 174.900 -0.000 0.000 1.159 18 G CA 0.126 45.225 45.100 -0.002 0.000 0.969 18 G HN 0.835 nan 8.290 nan 0.000 0.554 19 A N -0.591 122.229 122.820 0.000 0.000 2.734 19 A HA 0.627 4.944 4.320 -0.004 0.000 0.279 19 A C 0.199 177.787 177.584 0.006 0.000 1.386 19 A CA 0.904 52.943 52.037 0.003 0.000 0.987 19 A CB -0.112 18.889 19.000 0.002 0.000 1.041 19 A HN 1.573 nan 8.150 nan 0.000 0.569 20 V N 0.844 120.762 119.914 0.006 0.000 2.447 20 V HA 0.280 4.397 4.120 -0.004 0.000 0.292 20 V C -0.667 175.433 176.094 0.010 0.000 1.021 20 V CA -0.491 61.815 62.300 0.010 0.000 0.850 20 V CB 1.692 33.520 31.823 0.008 0.000 1.005 20 V HN 0.160 nan 8.190 nan 0.000 0.426 21 V N 3.604 123.527 119.914 0.015 0.000 2.435 21 V HA 0.542 4.659 4.120 -0.004 0.000 0.290 21 V C -0.527 175.579 176.094 0.019 0.000 1.030 21 V CA -0.662 61.646 62.300 0.013 0.000 0.881 21 V CB 1.944 33.775 31.823 0.012 0.000 0.983 21 V HN 0.739 nan 8.190 nan 0.000 0.445 22 D N 2.994 123.399 120.400 0.010 0.000 2.193 22 D HA 0.619 5.256 4.640 -0.004 0.000 0.244 22 D C -0.629 175.671 176.300 -0.001 0.000 1.064 22 D CA -0.063 53.946 54.000 0.015 0.000 0.845 22 D CB 2.192 42.997 40.800 0.009 0.000 1.148 22 D HN 0.290 nan 8.370 nan 0.000 0.464 23 V N 2.295 122.218 119.914 0.017 0.000 2.588 23 V HA 0.335 4.452 4.120 -0.004 0.000 0.304 23 V C -0.252 175.820 176.094 -0.037 0.000 1.042 23 V CA -0.890 61.383 62.300 -0.046 0.000 0.877 23 V CB 1.922 33.731 31.823 -0.023 0.000 0.996 23 V HN 0.406 nan 8.190 nan 0.000 0.425 24 Q N 3.295 123.006 119.800 -0.148 0.000 2.307 24 Q HA 0.586 4.924 4.340 -0.004 0.000 0.262 24 Q C -1.827 174.033 176.000 -0.233 0.000 0.961 24 Q CA -0.477 55.275 55.803 -0.085 0.000 0.882 24 Q CB 1.273 29.974 28.738 -0.063 0.000 1.264 24 Q HN 0.621 nan 8.270 nan 0.000 0.446 25 F N 2.462 122.384 119.950 -0.046 0.000 2.421 25 F HA 0.246 4.776 4.527 0.004 0.000 0.337 25 F C 0.969 176.750 175.800 -0.031 0.000 1.105 25 F CA -0.383 57.595 58.000 -0.037 0.000 1.049 25 F CB 1.487 40.459 39.000 -0.046 0.000 1.139 25 F HN 0.647 nan 8.300 nan 0.000 0.479 26 D N 1.480 121.951 120.400 0.117 0.000 2.146 26 D HA -0.027 4.611 4.640 -0.004 0.000 0.209 26 D C -0.186 176.163 176.300 0.082 0.000 0.973 26 D CA 1.209 55.249 54.000 0.067 0.000 0.860 26 D CB 0.251 41.068 40.800 0.028 0.000 1.015 26 D HN 0.517 nan 8.370 nan 0.000 0.465 27 E N -0.441 119.819 120.200 0.100 0.000 2.187 27 E HA 0.522 4.869 4.350 -0.004 0.000 0.268 27 E C -0.327 176.324 176.600 0.084 0.000 0.896 27 E CA -0.557 55.887 56.400 0.072 0.000 0.766 27 E CB 2.138 31.869 29.700 0.051 0.000 1.142 27 E HN 0.188 nan 8.360 nan 0.000 0.408 28 G N 2.301 111.120 108.800 0.032 0.000 3.273 28 G HA2 -0.195 3.762 3.960 -0.004 0.000 0.325 28 G HA3 -0.195 3.762 3.960 -0.004 0.000 0.325 28 G C -1.064 173.739 174.900 -0.161 0.000 0.960 28 G CA -0.723 44.360 45.100 -0.029 0.000 0.808 28 G HN 0.323 nan 8.290 nan 0.000 0.387 29 L N 5.961 127.055 121.223 -0.216 0.000 2.264 29 L HA 0.619 4.956 4.340 -0.004 0.000 0.289 29 L C -1.385 175.261 176.870 -0.374 0.000 1.044 29 L CA -2.154 52.432 54.840 -0.424 0.000 0.807 29 L CB 0.965 42.861 42.059 -0.272 0.000 1.192 29 L HN 0.412 nan 8.230 nan 0.000 0.425 30 P HA 0.155 nan 4.420 nan 0.000 0.265 30 P C -2.654 174.660 177.300 0.025 0.000 1.193 30 P CA -0.952 61.988 63.100 -0.267 0.000 0.765 30 P CB -0.255 31.267 31.700 -0.296 0.000 0.823 31 P HA 0.145 nan 4.420 nan 0.000 0.273 31 P C 0.270 177.576 177.300 0.009 0.000 1.250 31 P CA -0.180 62.930 63.100 0.016 0.000 0.793 31 P CB 0.661 32.336 31.700 -0.043 0.000 1.011 32 I N 1.406 121.897 120.570 -0.131 0.000 2.618 32 I HA -0.045 4.123 4.170 -0.004 0.000 0.284 32 I C 1.487 177.557 176.117 -0.078 0.000 1.146 32 I CA 0.673 61.916 61.300 -0.095 0.000 1.425 32 I CB -0.294 37.601 38.000 -0.175 0.000 1.383 32 I HN 0.397 nan 8.210 nan 0.000 0.562 33 L N 2.324 123.513 121.223 -0.056 0.000 2.583 33 L HA -0.213 4.124 4.340 -0.004 0.000 0.464 33 L C 0.278 177.177 176.870 0.048 0.000 0.736 33 L CA -0.072 54.728 54.840 -0.066 0.000 2.687 33 L CB -1.326 40.610 42.059 -0.204 0.000 1.013 33 L HN 0.635 nan 8.230 nan 0.000 0.629 34 N N 1.093 119.814 118.700 0.036 0.000 2.381 34 N HA 0.460 5.197 4.740 -0.004 0.000 0.241 34 N C 0.203 175.756 175.510 0.072 0.000 1.279 34 N CA 1.001 54.082 53.050 0.052 0.000 0.896 34 N CB 0.713 39.214 38.487 0.023 0.000 1.118 34 N HN 0.315 nan 8.380 nan 0.000 0.438 35 A N 1.840 124.703 122.820 0.072 0.000 2.292 35 A HA 0.602 4.919 4.320 -0.004 0.000 0.319 35 A C -0.565 177.065 177.584 0.076 0.000 1.206 35 A CA -0.630 51.451 52.037 0.072 0.000 0.835 35 A CB 0.224 19.260 19.000 0.060 0.000 1.164 35 A HN 0.566 nan 8.150 nan 0.000 0.505 36 L N 1.922 123.197 121.223 0.088 0.000 2.334 36 L HA 0.547 4.884 4.340 -0.004 0.000 0.273 36 L C -0.236 176.681 176.870 0.078 0.000 1.013 36 L CA -0.827 54.078 54.840 0.109 0.000 0.816 36 L CB 1.657 43.813 42.059 0.160 0.000 1.278 36 L HN 0.623 nan 8.230 nan 0.000 0.431 37 E N 2.059 122.301 120.200 0.071 0.000 2.166 37 E HA 0.361 4.708 4.350 -0.004 0.000 0.275 37 E C -0.873 175.749 176.600 0.036 0.000 0.941 37 E CA -0.676 55.752 56.400 0.047 0.000 0.784 37 E CB 2.914 32.639 29.700 0.042 0.000 1.115 37 E HN 0.201 nan 8.360 nan 0.000 0.399 38 V N 3.606 123.534 119.914 0.024 0.000 2.530 38 V HA 0.037 4.154 4.120 -0.004 0.000 0.282 38 V C 0.430 176.528 176.094 0.006 0.000 1.048 38 V CA -0.607 61.698 62.300 0.010 0.000 0.997 38 V CB 1.023 32.849 31.823 0.006 0.000 0.987 38 V HN 0.474 nan 8.190 nan 0.000 0.477 39 Q N 2.643 122.442 119.800 -0.001 0.000 2.261 39 Q HA 0.459 4.797 4.340 -0.004 0.000 0.252 39 Q C 0.930 176.928 176.000 -0.003 0.000 0.915 39 Q CA 0.517 56.320 55.803 -0.001 0.000 0.915 39 Q CB 1.301 30.036 28.738 -0.005 0.000 1.204 39 Q HN 1.185 nan 8.270 nan 0.000 0.421 40 G N 2.726 111.526 108.800 -0.000 0.000 2.325 40 G HA2 -0.236 3.721 3.960 -0.004 0.000 0.248 40 G HA3 -0.236 3.721 3.960 -0.004 0.000 0.248 40 G C -0.273 174.627 174.900 -0.001 0.000 1.108 40 G CA -0.303 44.796 45.100 -0.001 0.000 0.881 40 G HN 0.448 nan 8.290 nan 0.000 0.494 41 R N -0.381 120.120 120.500 0.002 0.000 2.538 41 R HA 0.322 4.659 4.340 -0.004 0.000 0.292 41 R C 1.084 177.386 176.300 0.004 0.000 1.008 41 R CA -0.943 55.158 56.100 0.002 0.000 0.896 41 R CB 1.139 31.441 30.300 0.003 0.000 1.187 41 R HN 0.119 nan 8.270 nan 0.000 0.440 42 E N 0.698 120.899 120.200 0.003 0.000 2.217 42 E HA -0.235 4.112 4.350 -0.004 0.000 0.219 42 E C 0.753 177.355 176.600 0.005 0.000 1.070 42 E CA 2.357 58.759 56.400 0.004 0.000 0.889 42 E CB 0.133 29.835 29.700 0.004 0.000 0.768 42 E HN 0.728 nan 8.360 nan 0.000 0.465 43 T N -3.038 111.519 114.554 0.004 0.000 2.888 43 T HA 0.523 4.871 4.350 -0.004 0.000 0.288 43 T C -0.046 174.657 174.700 0.005 0.000 1.063 43 T CA -0.947 61.155 62.100 0.005 0.000 1.010 43 T CB 2.198 71.069 68.868 0.004 0.000 1.214 43 T HN -0.063 nan 8.240 nan 0.000 0.533 44 R N 0.427 120.930 120.500 0.005 0.000 2.370 44 R HA 0.427 4.764 4.340 -0.004 0.000 0.309 44 R C -1.149 175.156 176.300 0.007 0.000 1.059 44 R CA -0.521 55.583 56.100 0.006 0.000 0.981 44 R CB -0.137 30.165 30.300 0.003 0.000 0.972 44 R HN 0.521 nan 8.270 nan 0.000 0.437 45 L N 6.084 127.313 121.223 0.010 0.000 2.318 45 L HA 0.337 4.674 4.340 -0.004 0.000 0.277 45 L C -1.260 175.621 176.870 0.019 0.000 1.008 45 L CA -0.471 54.377 54.840 0.013 0.000 0.846 45 L CB 1.814 43.879 42.059 0.011 0.000 1.220 45 L HN 0.324 nan 8.230 nan 0.000 0.423 46 V N 6.361 126.287 119.914 0.020 0.000 2.394 46 V HA 0.399 4.517 4.120 -0.004 0.000 0.282 46 V C 0.060 176.176 176.094 0.036 0.000 1.031 46 V CA -0.551 61.767 62.300 0.029 0.000 0.881 46 V CB 1.570 33.407 31.823 0.023 0.000 0.982 46 V HN 0.518 nan 8.190 nan 0.000 0.451 47 L N 4.757 126.009 121.223 0.047 0.000 2.262 47 L HA 0.491 4.828 4.340 -0.004 0.000 0.288 47 L C 0.408 177.318 176.870 0.066 0.000 1.035 47 L CA -0.172 54.700 54.840 0.053 0.000 0.820 47 L CB 1.293 43.388 42.059 0.060 0.000 1.204 47 L HN 0.711 nan 8.230 nan 0.000 0.424 48 E N 2.788 123.028 120.200 0.066 0.000 2.331 48 E HA 0.286 4.633 4.350 -0.004 0.000 0.272 48 E C -0.866 175.777 176.600 0.070 0.000 1.036 48 E CA -0.678 55.769 56.400 0.079 0.000 0.864 48 E CB 1.599 31.360 29.700 0.102 0.000 1.035 48 E HN 0.275 nan 8.360 nan 0.000 0.408 49 V N 3.527 123.482 119.914 0.069 0.000 2.686 49 V HA 0.279 4.396 4.120 -0.004 0.000 0.295 49 V C 0.746 176.864 176.094 0.040 0.000 1.055 49 V CA 0.791 63.133 62.300 0.070 0.000 1.050 49 V CB 1.125 32.999 31.823 0.085 0.000 0.984 49 V HN 0.910 nan 8.190 nan 0.000 0.482 50 A N 3.822 126.673 122.820 0.051 0.000 2.140 50 A HA 0.415 4.732 4.320 -0.004 0.000 0.199 50 A C 0.485 178.086 177.584 0.028 0.000 1.416 50 A CA 0.072 52.120 52.037 0.019 0.000 1.018 50 A CB 0.514 19.524 19.000 0.016 0.000 1.117 50 A HN 0.770 nan 8.150 nan 0.000 0.480 51 Q N -1.127 118.727 119.800 0.089 0.000 2.522 51 Q HA 0.337 4.674 4.340 -0.004 0.000 0.285 51 Q C -1.646 174.512 176.000 0.264 0.000 0.982 51 Q CA -0.637 55.232 55.803 0.111 0.000 0.805 51 Q CB 1.478 30.256 28.738 0.066 0.000 1.457 51 Q HN 0.543 nan 8.270 nan 0.000 0.394 52 H N 1.993 121.061 119.070 -0.003 0.000 2.680 52 H HA 0.234 4.790 4.556 -0.001 0.000 0.260 52 H C 0.636 175.969 175.328 0.008 0.000 1.328 52 H CA -0.166 55.883 56.048 0.002 0.000 1.269 52 H CB 0.504 30.260 29.762 -0.009 0.000 1.446 52 H HN 0.437 nan 8.280 nan 0.000 0.527 53 L N 2.050 123.319 121.223 0.076 0.000 2.551 53 L HA -0.022 4.315 4.340 -0.004 0.000 0.230 53 L C 1.228 178.118 176.870 0.033 0.000 1.163 53 L CA 0.690 55.558 54.840 0.046 0.000 0.826 53 L CB -0.510 41.566 42.059 0.029 0.000 0.943 53 L HN 0.738 nan 8.230 nan 0.000 0.452 54 G N 0.377 109.194 108.800 0.027 0.000 2.705 54 G HA2 -0.186 3.771 3.960 -0.004 0.000 0.686 54 G HA3 -0.186 3.771 3.960 -0.004 0.000 0.686 54 G C 0.054 174.957 174.900 0.005 0.000 1.285 54 G CA -0.270 44.841 45.100 0.019 0.000 0.800 54 G HN 0.414 nan 8.290 nan 0.000 0.611 55 E N -0.558 119.644 120.200 0.003 0.000 2.645 55 E HA -0.172 4.175 4.350 -0.004 0.000 0.282 55 E C 1.011 177.612 176.600 0.002 0.000 1.013 55 E CA 1.054 57.456 56.400 0.004 0.000 0.842 55 E CB -1.617 28.086 29.700 0.004 0.000 1.396 55 E HN 2.109 nan 8.360 nan 0.000 0.404 56 S N -1.986 113.709 115.700 -0.007 0.000 3.561 56 S HA -0.209 4.258 4.470 -0.004 0.000 0.318 56 S C 0.091 174.708 174.600 0.027 0.000 1.181 56 S CA 1.518 59.721 58.200 0.006 0.000 0.916 56 S CB -1.004 62.218 63.200 0.037 0.000 0.966 56 S HN 0.439 nan 8.310 nan 0.000 0.550 57 T N 1.398 115.947 114.554 -0.009 0.000 2.863 57 T HA 0.643 4.990 4.350 -0.004 0.000 0.285 57 T C 0.235 174.926 174.700 -0.014 0.000 1.009 57 T CA -0.360 61.752 62.100 0.020 0.000 0.989 57 T CB 1.920 70.795 68.868 0.012 0.000 1.004 57 T HN 0.473 nan 8.240 nan 0.000 0.455 58 V N 1.188 121.127 119.914 0.043 0.000 2.732 58 V HA 0.771 4.888 4.120 -0.004 0.000 0.310 58 V C -0.217 175.918 176.094 0.069 0.000 1.053 58 V CA -1.356 60.966 62.300 0.037 0.000 0.957 58 V CB 1.589 33.459 31.823 0.077 0.000 1.018 58 V HN 0.850 nan 8.190 nan 0.000 0.452 59 R N 2.133 122.677 120.500 0.074 0.000 2.310 59 R HA 0.684 5.021 4.340 -0.004 0.000 0.324 59 R C -0.159 176.179 176.300 0.063 0.000 0.955 59 R CA 0.213 56.347 56.100 0.058 0.000 0.830 59 R CB 1.329 31.656 30.300 0.045 0.000 1.154 59 R HN 1.162 nan 8.270 nan 0.000 0.458 60 T N 1.737 116.325 114.554 0.056 0.000 2.926 60 T HA 0.584 4.931 4.350 -0.004 0.000 0.289 60 T C 0.174 174.897 174.700 0.039 0.000 1.054 60 T CA -1.030 61.104 62.100 0.055 0.000 1.015 60 T CB 1.184 70.093 68.868 0.068 0.000 1.167 60 T HN 0.562 nan 8.240 nan 0.000 0.526 61 I N -0.393 120.200 120.570 0.038 0.000 2.389 61 I HA 0.799 4.967 4.170 -0.004 0.000 0.288 61 I C 0.226 176.362 176.117 0.031 0.000 0.999 61 I CA -1.467 59.850 61.300 0.028 0.000 1.129 61 I CB 1.199 39.213 38.000 0.023 0.000 1.288 61 I HN 0.884 nan 8.210 nan 0.000 0.444 62 A N 7.107 129.941 122.820 0.023 0.000 2.462 62 A HA 0.389 4.707 4.320 -0.004 0.000 0.243 62 A C 0.857 178.453 177.584 0.021 0.000 1.076 62 A CA -0.235 51.815 52.037 0.022 0.000 0.773 62 A CB 0.371 19.380 19.000 0.015 0.000 1.010 62 A HN 0.885 nan 8.150 nan 0.000 0.493 63 M N 0.740 120.353 119.600 0.022 0.000 2.431 63 M HA 0.193 4.670 4.480 -0.004 0.000 0.237 63 M C -0.077 176.232 176.300 0.014 0.000 1.130 63 M CA 0.581 55.893 55.300 0.019 0.000 1.002 63 M CB -1.269 31.343 32.600 0.020 0.000 1.524 63 M HN 0.889 nan 8.290 nan 0.000 0.482 64 D N -1.242 119.165 120.400 0.012 0.000 2.692 64 D HA 0.437 5.074 4.640 -0.004 0.000 0.290 64 D C -0.332 175.972 176.300 0.007 0.000 1.281 64 D CA -0.315 53.690 54.000 0.009 0.000 0.804 64 D CB 1.019 41.824 40.800 0.008 0.000 1.331 64 D HN 0.122 nan 8.370 nan 0.000 0.432 65 G N -0.209 108.594 108.800 0.005 0.000 2.115 65 G HA2 0.214 4.171 3.960 -0.004 0.000 0.244 65 G HA3 0.214 4.171 3.960 -0.004 0.000 0.244 65 G C 0.965 175.867 174.900 0.004 0.000 1.105 65 G CA 0.744 45.846 45.100 0.004 0.000 0.893 65 G HN 0.529 nan 8.290 nan 0.000 0.443 66 T N -0.394 114.161 114.554 0.003 0.000 3.144 66 T HA 0.156 4.504 4.350 -0.004 0.000 0.249 66 T C 0.581 175.280 174.700 -0.000 0.000 1.089 66 T CA -0.059 62.042 62.100 0.002 0.000 0.989 66 T CB -0.190 68.679 68.868 0.002 0.000 0.992 66 T HN 0.662 nan 8.240 nan 0.000 0.540 67 E N 1.345 121.545 120.200 -0.000 0.000 2.558 67 E HA 0.384 4.731 4.350 -0.004 0.000 0.255 67 E C 1.435 178.034 176.600 -0.002 0.000 0.968 67 E CA 0.603 57.003 56.400 -0.001 0.000 0.939 67 E CB -0.421 29.279 29.700 -0.000 0.000 0.921 67 E HN 0.343 nan 8.360 nan 0.000 0.477 68 G N 2.527 111.325 108.800 -0.003 0.000 2.268 68 G HA2 -0.317 3.640 3.960 -0.004 0.000 0.240 68 G HA3 -0.317 3.640 3.960 -0.004 0.000 0.240 68 G C 0.328 175.225 174.900 -0.005 0.000 1.010 68 G CA -0.045 45.053 45.100 -0.004 0.000 0.618 68 G HN 0.428 nan 8.290 nan 0.000 0.516 69 L N 0.637 121.857 121.223 -0.006 0.000 2.503 69 L HA 0.360 4.698 4.340 -0.004 0.000 0.287 69 L C 0.655 177.518 176.870 -0.011 0.000 1.252 69 L CA 0.231 55.066 54.840 -0.009 0.000 0.835 69 L CB 0.542 42.595 42.059 -0.009 0.000 1.099 69 L HN 0.060 nan 8.230 nan 0.000 0.516 70 V N 2.081 121.986 119.914 -0.015 0.000 2.638 70 V HA 0.345 4.462 4.120 -0.004 0.000 0.306 70 V C 0.033 176.114 176.094 -0.023 0.000 1.052 70 V CA -0.886 61.404 62.300 -0.017 0.000 0.885 70 V CB 1.825 33.639 31.823 -0.016 0.000 0.999 70 V HN 0.641 nan 8.190 nan 0.000 0.424 71 R N 2.308 122.795 120.500 -0.022 0.000 2.538 71 R HA 0.391 4.729 4.340 -0.004 0.000 0.282 71 R C 1.357 177.638 176.300 -0.032 0.000 1.009 71 R CA 1.248 57.331 56.100 -0.027 0.000 1.063 71 R CB 0.172 30.458 30.300 -0.023 0.000 0.945 71 R HN 1.215 nan 8.270 nan 0.000 0.414 72 G N 1.764 110.538 108.800 -0.044 0.000 2.254 72 G HA2 -0.331 3.626 3.960 -0.004 0.000 0.225 72 G HA3 -0.331 3.626 3.960 -0.004 0.000 0.225 72 G C 0.265 175.134 174.900 -0.053 0.000 1.003 72 G CA 0.128 45.199 45.100 -0.048 0.000 0.622 72 G HN 0.607 nan 8.290 nan 0.000 0.507 73 Q N 1.308 121.080 119.800 -0.046 0.000 2.394 73 Q HA 0.344 4.682 4.340 -0.004 0.000 0.303 73 Q C 0.352 176.314 176.000 -0.062 0.000 1.117 73 Q CA 0.768 56.545 55.803 -0.044 0.000 0.966 73 Q CB 0.267 28.985 28.738 -0.034 0.000 1.275 73 Q HN 0.495 nan 8.270 nan 0.000 0.429 74 K N 1.486 121.853 120.400 -0.054 0.000 2.143 74 K HA 0.456 4.773 4.320 -0.004 0.000 0.272 74 K C -1.326 175.236 176.600 -0.063 0.000 1.001 74 K CA -0.626 55.620 56.287 -0.068 0.000 0.915 74 K CB 1.459 33.932 32.500 -0.045 0.000 1.047 74 K HN 0.341 nan 8.250 nan 0.000 0.458 75 V N 4.142 123.999 119.914 -0.096 0.000 2.577 75 V HA 0.314 4.431 4.120 -0.004 0.000 0.303 75 V C -0.671 175.420 176.094 -0.006 0.000 1.042 75 V CA -0.879 61.387 62.300 -0.057 0.000 0.872 75 V CB 1.610 33.384 31.823 -0.082 0.000 0.998 75 V HN 0.628 nan 8.190 nan 0.000 0.423 76 L N 3.473 124.734 121.223 0.063 0.000 2.276 76 L HA 0.439 4.776 4.340 -0.004 0.000 0.286 76 L C -0.052 176.915 176.870 0.162 0.000 1.024 76 L CA -0.515 54.392 54.840 0.112 0.000 0.826 76 L CB 1.426 43.527 42.059 0.069 0.000 1.211 76 L HN 0.688 nan 8.230 nan 0.000 0.422 77 D N 1.967 122.514 120.400 0.245 0.000 2.389 77 D HA -0.082 4.555 4.640 -0.004 0.000 0.263 77 D C 1.212 177.567 176.300 0.091 0.000 1.255 77 D CA 0.148 54.247 54.000 0.165 0.000 0.914 77 D CB 1.121 41.964 40.800 0.072 0.000 1.116 77 D HN 0.515 nan 8.370 nan 0.000 0.502 78 S N 2.748 118.494 115.700 0.077 0.000 2.660 78 S HA 0.090 4.557 4.470 -0.004 0.000 0.228 78 S C 1.689 176.318 174.600 0.047 0.000 0.966 78 S CA 0.202 58.439 58.200 0.061 0.000 0.940 78 S CB -0.669 62.568 63.200 0.061 0.000 0.773 78 S HN 0.883 nan 8.310 nan 0.000 0.535 79 G N 0.207 109.027 108.800 0.033 0.000 2.296 79 G HA2 0.052 4.010 3.960 -0.004 0.000 0.282 79 G HA3 0.052 4.010 3.960 -0.004 0.000 0.282 79 G C 0.211 175.125 174.900 0.023 0.000 1.014 79 G CA 0.181 45.290 45.100 0.015 0.000 0.812 79 G HN 1.750 nan 8.290 nan 0.000 0.508 80 A N -1.546 121.295 122.820 0.035 0.000 2.583 80 A HA 0.817 5.135 4.320 -0.004 0.000 0.292 80 A C -2.867 174.752 177.584 0.059 0.000 1.045 80 A CA -0.444 51.620 52.037 0.045 0.000 0.672 80 A CB 1.023 20.054 19.000 0.050 0.000 1.283 80 A HN 0.181 nan 8.150 nan 0.000 0.419 81 P HA 0.343 nan 4.420 nan 0.000 0.272 81 P C -0.152 177.187 177.300 0.066 0.000 1.254 81 P CA -0.130 63.039 63.100 0.114 0.000 0.795 81 P CB 0.227 32.037 31.700 0.183 0.000 1.022 82 I N 0.887 121.485 120.570 0.047 0.000 2.742 82 I HA -0.080 4.087 4.170 -0.004 0.000 0.287 82 I C 1.342 177.437 176.117 -0.037 0.000 1.186 82 I CA 0.958 62.252 61.300 -0.010 0.000 1.417 82 I CB -0.210 37.767 38.000 -0.038 0.000 1.377 82 I HN 0.098 nan 8.210 nan 0.000 0.556 83 R N 7.542 128.018 120.500 -0.040 0.000 2.711 83 R HA 0.786 5.123 4.340 -0.004 0.000 0.284 83 R C -0.726 175.464 176.300 -0.183 0.000 0.968 83 R CA -0.927 55.141 56.100 -0.053 0.000 0.924 83 R CB 2.292 32.614 30.300 0.037 0.000 1.162 83 R HN 0.605 nan 8.270 nan 0.000 0.465 84 I N -1.741 118.694 120.570 -0.224 0.000 2.969 84 I HA 0.565 4.733 4.170 -0.004 0.000 0.307 84 I C -2.734 173.118 176.117 -0.442 0.000 1.149 84 I CA -3.330 57.754 61.300 -0.361 0.000 1.008 84 I CB 2.604 40.475 38.000 -0.214 0.000 1.232 84 I HN 0.293 nan 8.210 nan 0.000 0.435 85 P HA 0.149 nan 4.420 nan 0.000 0.267 85 P C -0.554 176.635 177.300 -0.186 0.000 1.209 85 P CA -0.019 62.885 63.100 -0.327 0.000 0.763 85 P CB 0.742 32.297 31.700 -0.241 0.000 0.816 86 V N 0.801 120.621 119.914 -0.156 0.000 2.960 86 V HA 1.022 5.140 4.120 -0.004 0.000 0.315 86 V C 0.281 176.004 176.094 -0.618 0.000 1.087 86 V CA -0.245 61.856 62.300 -0.332 0.000 0.982 86 V CB 1.368 33.020 31.823 -0.286 0.000 1.039 86 V HN 0.928 nan 8.190 nan 0.000 0.437 87 G N 2.698 110.836 108.800 -1.103 0.000 2.343 87 G HA2 0.085 4.042 3.960 -0.004 0.000 0.562 87 G HA3 0.085 4.042 3.960 -0.004 0.000 0.562 87 G C -2.715 172.033 174.900 -0.253 0.000 1.269 87 G CA -0.035 44.331 45.100 -1.223 0.000 1.011 87 G HN 0.597 nan 8.290 nan 0.000 0.498 88 P HA 0.016 nan 4.420 nan 0.000 0.216 88 P C 1.457 178.776 177.300 0.031 0.000 1.153 88 P CA 1.790 65.002 63.100 0.185 0.000 0.848 88 P CB 0.014 31.814 31.700 0.167 0.000 0.787 89 E N -0.326 119.873 120.200 -0.002 0.000 2.520 89 E HA -0.069 4.278 4.350 -0.004 0.000 0.201 89 E C 1.020 177.601 176.600 -0.031 0.000 1.122 89 E CA 1.188 57.577 56.400 -0.018 0.000 0.896 89 E CB -1.223 28.471 29.700 -0.009 0.000 0.891 89 E HN 0.380 nan 8.360 nan 0.000 0.533 90 T N -1.804 112.735 114.554 -0.025 0.000 3.023 90 T HA 0.142 4.490 4.350 -0.004 0.000 0.249 90 T C 1.124 175.805 174.700 -0.032 0.000 1.050 90 T CA -0.372 61.710 62.100 -0.031 0.000 1.088 90 T CB -0.287 68.566 68.868 -0.025 0.000 0.946 90 T HN 0.046 nan 8.240 nan 0.000 0.480 91 L N 2.332 123.525 121.223 -0.050 0.000 2.578 91 L HA 0.367 4.704 4.340 -0.004 0.000 0.279 91 L C 1.787 178.604 176.870 -0.090 0.000 1.227 91 L CA 1.091 55.854 54.840 -0.129 0.000 0.900 91 L CB -0.173 41.695 42.059 -0.319 0.000 1.144 91 L HN 0.628 nan 8.230 nan 0.000 0.496 92 G N 1.656 110.416 108.800 -0.067 0.000 2.212 92 G HA2 -0.231 3.727 3.960 -0.004 0.000 0.266 92 G HA3 -0.231 3.727 3.960 -0.004 0.000 0.266 92 G C 0.468 175.355 174.900 -0.021 0.000 0.978 92 G CA -0.250 44.831 45.100 -0.032 0.000 0.632 92 G HN 0.471 nan 8.290 nan 0.000 0.537 93 R N -0.052 120.415 120.500 -0.056 0.000 2.596 93 R HA 0.741 5.079 4.340 -0.004 0.000 0.267 93 R C 0.571 176.773 176.300 -0.163 0.000 1.026 93 R CA -0.887 55.163 56.100 -0.084 0.000 1.087 93 R CB 0.548 30.804 30.300 -0.074 0.000 1.132 93 R HN 0.359 nan 8.270 nan 0.000 0.531 94 I N 1.805 122.233 120.570 -0.236 0.000 2.404 94 I HA 0.450 4.617 4.170 -0.004 0.000 0.293 94 I C 0.362 176.344 176.117 -0.226 0.000 0.992 94 I CA -0.467 60.622 61.300 -0.350 0.000 1.149 94 I CB 1.547 39.218 38.000 -0.549 0.000 1.315 94 I HN 0.222 nan 8.210 nan 0.000 0.446 95 M N 5.432 124.913 119.600 -0.199 0.000 2.518 95 M HA 0.421 4.898 4.480 -0.004 0.000 0.300 95 M C -1.028 175.238 176.300 -0.057 0.000 1.175 95 M CA -0.526 54.706 55.300 -0.113 0.000 0.890 95 M CB 2.311 34.848 32.600 -0.104 0.000 1.710 95 M HN 0.635 nan 8.290 nan 0.000 0.453 96 N N 1.438 120.114 118.700 -0.039 0.000 2.229 96 N HA 0.098 4.835 4.740 -0.004 0.000 0.242 96 N C 0.639 176.140 175.510 -0.015 0.000 1.327 96 N CA 0.164 53.208 53.050 -0.010 0.000 0.896 96 N CB 0.785 39.255 38.487 -0.027 0.000 1.129 96 N HN 0.556 nan 8.380 nan 0.000 0.490 97 V N 0.526 120.436 119.914 -0.007 0.000 2.591 97 V HA -0.075 4.043 4.120 -0.004 0.000 0.249 97 V C 1.529 177.597 176.094 -0.043 0.000 1.053 97 V CA 1.395 63.687 62.300 -0.014 0.000 1.068 97 V CB -0.701 31.122 31.823 0.000 0.000 0.689 97 V HN 0.718 nan 8.190 nan 0.000 0.462 98 I N -0.945 119.596 120.570 -0.048 0.000 3.805 98 I HA 0.688 4.856 4.170 -0.004 0.000 0.337 98 I C 1.067 177.119 176.117 -0.109 0.000 1.539 98 I CA 0.054 61.312 61.300 -0.069 0.000 1.176 98 I CB -0.317 37.656 38.000 -0.045 0.000 1.248 98 I HN 0.188 nan 8.210 nan 0.000 0.437 99 G N 1.429 110.159 108.800 -0.116 0.000 2.371 99 G HA2 -0.246 3.711 3.960 -0.004 0.000 0.299 99 G HA3 -0.246 3.711 3.960 -0.004 0.000 0.299 99 G C -0.242 174.574 174.900 -0.140 0.000 1.014 99 G CA 0.191 45.200 45.100 -0.151 0.000 1.097 99 G HN 0.722 nan 8.290 nan 0.000 0.512 100 E N 0.207 120.350 120.200 -0.094 0.000 2.235 100 E HA 0.483 4.830 4.350 -0.004 0.000 0.265 100 E C -2.637 173.921 176.600 -0.070 0.000 0.940 100 E CA -2.310 54.044 56.400 -0.076 0.000 0.819 100 E CB 2.274 31.943 29.700 -0.052 0.000 1.206 100 E HN 0.162 nan 8.360 nan 0.000 0.409 101 P HA 0.179 nan 4.420 nan 0.000 0.286 101 P C -0.023 177.243 177.300 -0.057 0.000 1.269 101 P CA -0.079 62.981 63.100 -0.066 0.000 0.787 101 P CB 0.248 31.916 31.700 -0.052 0.000 0.920 102 I N -0.551 119.972 120.570 -0.078 0.000 3.817 102 I HA 0.340 4.507 4.170 -0.004 0.000 0.325 102 I C -0.224 175.836 176.117 -0.095 0.000 1.550 102 I CA -0.269 60.994 61.300 -0.061 0.000 1.100 102 I CB 0.238 38.217 38.000 -0.034 0.000 1.216 102 I HN 0.023 nan 8.210 nan 0.000 0.481 103 D N -0.066 120.266 120.400 -0.112 0.000 2.469 103 D HA 0.032 4.669 4.640 -0.004 0.000 0.213 103 D C 0.454 176.743 176.300 -0.018 0.000 1.135 103 D CA -0.059 53.866 54.000 -0.124 0.000 0.834 103 D CB -0.064 40.619 40.800 -0.195 0.000 1.009 103 D HN 0.357 nan 8.370 nan 0.000 0.507 104 E N 0.160 120.350 120.200 -0.016 0.000 2.637 104 E HA -0.255 4.093 4.350 -0.004 0.000 0.265 104 E C 0.070 176.678 176.600 0.014 0.000 1.073 104 E CA 0.328 56.732 56.400 0.006 0.000 0.778 104 E CB -1.622 28.093 29.700 0.024 0.000 1.362 104 E HN 0.458 nan 8.360 nan 0.000 0.413 105 R N 0.302 120.805 120.500 0.005 0.000 2.702 105 R HA 0.286 4.623 4.340 -0.004 0.000 0.314 105 R C 0.927 177.229 176.300 0.002 0.000 1.152 105 R CA 0.451 56.557 56.100 0.011 0.000 1.097 105 R CB 0.688 30.996 30.300 0.014 0.000 1.343 105 R HN 0.369 nan 8.270 nan 0.000 0.575 106 G N 1.986 110.786 108.800 0.001 0.000 2.796 106 G HA2 -0.234 3.724 3.960 -0.004 0.000 0.226 106 G HA3 -0.234 3.724 3.960 -0.004 0.000 0.226 106 G C -2.490 172.407 174.900 -0.005 0.000 1.381 106 G CA -1.190 43.910 45.100 0.001 0.000 0.867 106 G HN 0.123 nan 8.290 nan 0.000 0.552 107 P HA 0.326 nan 4.420 nan 0.000 0.268 107 P C 0.301 177.599 177.300 -0.002 0.000 1.204 107 P CA 0.071 63.172 63.100 0.001 0.000 0.768 107 P CB 0.231 31.942 31.700 0.017 0.000 0.842 108 I N 2.775 123.336 120.570 -0.015 0.000 2.329 108 I HA 0.160 4.327 4.170 -0.004 0.000 0.295 108 I C 0.817 176.945 176.117 0.019 0.000 1.109 108 I CA -0.082 61.206 61.300 -0.020 0.000 1.297 108 I CB -0.271 37.695 38.000 -0.056 0.000 1.433 108 I HN 0.091 nan 8.210 nan 0.000 0.509 109 K N 5.932 126.350 120.400 0.029 0.000 2.244 109 K HA 0.283 4.600 4.320 -0.004 0.000 0.263 109 K C 0.142 176.776 176.600 0.056 0.000 1.103 109 K CA -0.317 56.005 56.287 0.058 0.000 0.966 109 K CB 0.851 33.374 32.500 0.038 0.000 1.429 109 K HN 0.675 nan 8.250 nan 0.000 0.434 110 T N -1.439 113.178 114.554 0.106 0.000 2.919 110 T HA 0.341 4.688 4.350 -0.004 0.000 0.282 110 T C 0.886 175.627 174.700 0.068 0.000 1.020 110 T CA -0.923 61.218 62.100 0.068 0.000 0.994 110 T CB 1.574 70.473 68.868 0.051 0.000 1.180 110 T HN 0.281 nan 8.240 nan 0.000 0.566 111 K N -0.141 120.272 120.400 0.022 0.000 2.168 111 K HA 0.130 4.447 4.320 -0.004 0.000 0.201 111 K C 0.322 176.887 176.600 -0.058 0.000 1.049 111 K CA 0.443 56.714 56.287 -0.026 0.000 0.974 111 K CB -0.021 32.477 32.500 -0.004 0.000 0.792 111 K HN 0.464 nan 8.250 nan 0.000 0.463 112 Q N 0.201 120.020 119.800 0.032 0.000 2.222 112 Q HA 0.357 4.694 4.340 -0.004 0.000 0.252 112 Q C -0.933 175.280 176.000 0.355 0.000 0.926 112 Q CA -0.320 55.533 55.803 0.083 0.000 0.899 112 Q CB 0.894 29.693 28.738 0.102 0.000 1.250 112 Q HN -0.072 nan 8.270 nan 0.000 0.441 113 F N 0.469 120.397 119.950 -0.036 0.000 2.508 113 F HA 0.773 5.296 4.527 -0.008 0.000 0.325 113 F C -0.325 175.458 175.800 -0.028 0.000 1.090 113 F CA -1.810 56.166 58.000 -0.039 0.000 0.945 113 F CB 1.725 40.709 39.000 -0.025 0.000 1.156 113 F HN 0.566 nan 8.300 nan 0.000 0.463 114 A N 2.031 124.908 122.820 0.095 0.000 2.357 114 A HA 0.767 5.085 4.320 -0.004 0.000 0.295 114 A C -0.562 177.028 177.584 0.011 0.000 1.121 114 A CA -0.681 51.387 52.037 0.051 0.000 0.742 114 A CB 0.706 19.722 19.000 0.027 0.000 1.181 114 A HN 0.942 nan 8.150 nan 0.000 0.454 115 A N 2.310 125.146 122.820 0.027 0.000 2.540 115 A HA 0.388 4.706 4.320 -0.004 0.000 0.239 115 A C 1.268 178.834 177.584 -0.031 0.000 1.061 115 A CA 0.318 52.360 52.037 0.008 0.000 0.758 115 A CB -0.322 18.701 19.000 0.038 0.000 0.991 115 A HN 1.654 nan 8.150 nan 0.000 0.502 116 I N -0.065 120.447 120.570 -0.097 0.000 2.439 116 I HA -0.035 4.133 4.170 -0.004 0.000 0.251 116 I C 0.240 176.239 176.117 -0.197 0.000 1.139 116 I CA 0.684 61.880 61.300 -0.175 0.000 1.438 116 I CB -0.421 37.418 38.000 -0.268 0.000 1.085 116 I HN 0.552 nan 8.210 nan 0.000 0.427 117 H N 3.314 122.388 119.070 0.008 0.000 3.067 117 H HA 0.642 5.194 4.556 -0.007 0.000 0.265 117 H C -0.213 175.119 175.328 0.007 0.000 1.234 117 H CA -0.028 56.026 56.048 0.009 0.000 1.452 117 H CB 0.511 30.279 29.762 0.010 0.000 1.527 117 H HN 0.440 nan 8.280 nan 0.000 0.486 118 A N 4.035 126.912 122.820 0.095 0.000 2.380 118 A HA 0.431 4.748 4.320 -0.004 0.000 0.315 118 A C 0.292 177.906 177.584 0.051 0.000 1.101 118 A CA -0.922 51.149 52.037 0.058 0.000 0.771 118 A CB 1.843 20.859 19.000 0.027 0.000 1.287 118 A HN 0.562 nan 8.150 nan 0.000 0.436 119 E N 0.310 120.532 120.200 0.038 0.000 2.385 119 E HA 0.544 4.891 4.350 -0.004 0.000 0.254 119 E C 0.089 176.705 176.600 0.026 0.000 1.228 119 E CA -0.314 56.105 56.400 0.032 0.000 0.956 119 E CB 0.943 30.658 29.700 0.026 0.000 1.116 119 E HN 0.730 nan 8.360 nan 0.000 0.507 120 A N 0.784 123.620 122.820 0.027 0.000 2.311 120 A HA 0.486 4.803 4.320 -0.004 0.000 0.334 120 A C -2.330 175.271 177.584 0.027 0.000 1.139 120 A CA -1.750 50.300 52.037 0.023 0.000 0.830 120 A CB 0.161 19.176 19.000 0.025 0.000 1.234 120 A HN 0.277 nan 8.150 nan 0.000 0.483 121 P HA -0.018 nan 4.420 nan 0.000 0.238 121 P C -0.261 177.063 177.300 0.040 0.000 1.090 121 P CA 0.581 63.692 63.100 0.017 0.000 0.944 121 P CB -0.113 31.587 31.700 0.001 0.000 0.881 122 E N 1.765 121.995 120.200 0.049 0.000 2.598 122 E HA -0.170 4.178 4.350 -0.004 0.000 0.273 122 E C 0.990 177.663 176.600 0.122 0.000 1.029 122 E CA 0.173 56.625 56.400 0.086 0.000 0.985 122 E CB 0.026 29.769 29.700 0.071 0.000 0.988 122 E HN 0.336 nan 8.360 nan 0.000 0.460 123 F N 2.441 122.390 119.950 -0.003 0.000 2.147 123 F HA -0.251 4.271 4.527 -0.008 0.000 0.301 123 F C 1.936 177.733 175.800 -0.005 0.000 1.084 123 F CA 1.901 59.899 58.000 -0.003 0.000 1.268 123 F CB -0.196 38.802 39.000 -0.003 0.000 1.009 123 F HN 0.330 nan 8.300 nan 0.000 0.486 124 V N -2.300 117.655 119.914 0.068 0.000 3.510 124 V HA -0.057 4.060 4.120 -0.004 0.000 0.270 124 V C 1.167 177.221 176.094 -0.066 0.000 1.201 124 V CA 1.584 63.867 62.300 -0.029 0.000 1.166 124 V CB -0.928 30.922 31.823 0.045 0.000 0.825 124 V HN 0.484 nan 8.190 nan 0.000 0.484 125 E N -0.681 119.481 120.200 -0.063 0.000 2.447 125 E HA 0.252 4.599 4.350 -0.004 0.000 0.204 125 E C 0.489 177.035 176.600 -0.091 0.000 0.977 125 E CA -0.452 55.913 56.400 -0.058 0.000 0.950 125 E CB 0.016 29.700 29.700 -0.027 0.000 0.975 125 E HN 0.414 nan 8.360 nan 0.000 0.496 126 M N 1.887 121.400 119.600 -0.145 0.000 2.246 126 M HA 0.014 4.491 4.480 -0.004 0.000 0.327 126 M C 0.586 176.789 176.300 -0.163 0.000 1.090 126 M CA 0.057 55.256 55.300 -0.169 0.000 1.087 126 M CB 0.335 32.764 32.600 -0.284 0.000 1.587 126 M HN -0.069 nan 8.290 nan 0.000 0.444 127 S N 1.819 117.449 115.700 -0.118 0.000 2.586 127 S HA 0.423 4.890 4.470 -0.004 0.000 0.274 127 S C 0.700 175.230 174.600 -0.115 0.000 1.281 127 S CA -0.926 57.214 58.200 -0.099 0.000 1.035 127 S CB 0.748 63.906 63.200 -0.070 0.000 0.962 127 S HN 0.480 nan 8.310 nan 0.000 0.512 128 V N 1.413 121.266 119.914 -0.103 0.000 3.647 128 V HA 0.412 4.529 4.120 -0.004 0.000 0.279 128 V C 0.431 176.487 176.094 -0.062 0.000 1.314 128 V CA 0.147 62.389 62.300 -0.097 0.000 1.125 128 V CB -1.461 30.308 31.823 -0.091 0.000 0.907 128 V HN 0.806 nan 8.190 nan 0.000 0.434 129 E N 0.119 120.288 120.200 -0.053 0.000 2.367 129 E HA 0.445 4.792 4.350 -0.004 0.000 0.273 129 E C -1.001 175.579 176.600 -0.033 0.000 0.903 129 E CA -0.817 55.560 56.400 -0.038 0.000 0.764 129 E CB 1.664 31.346 29.700 -0.031 0.000 1.252 129 E HN 0.144 nan 8.360 nan 0.000 0.446 130 Q N 1.968 121.752 119.800 -0.027 0.000 2.307 130 Q HA 0.246 4.583 4.340 -0.004 0.000 0.259 130 Q C -0.840 175.151 176.000 -0.015 0.000 0.998 130 Q CA 0.353 56.143 55.803 -0.022 0.000 0.923 130 Q CB 1.044 29.769 28.738 -0.023 0.000 1.196 130 Q HN 0.456 nan 8.270 nan 0.000 0.416 131 E N 1.994 122.187 120.200 -0.012 0.000 2.248 131 E HA 0.387 4.734 4.350 -0.004 0.000 0.267 131 E C -0.606 175.998 176.600 0.008 0.000 0.877 131 E CA -0.686 55.714 56.400 -0.001 0.000 0.759 131 E CB 2.413 32.109 29.700 -0.007 0.000 1.182 131 E HN 0.573 nan 8.360 nan 0.000 0.418 132 I N 3.493 124.080 120.570 0.028 0.000 2.575 132 I HA 0.214 4.381 4.170 -0.004 0.000 0.285 132 I C -0.968 175.174 176.117 0.041 0.000 1.085 132 I CA -0.448 60.880 61.300 0.046 0.000 1.403 132 I CB 0.496 38.543 38.000 0.078 0.000 1.409 132 I HN 0.477 nan 8.210 nan 0.000 0.557 133 L N 8.358 129.605 121.223 0.039 0.000 2.264 133 L HA 0.476 4.814 4.340 -0.004 0.000 0.289 133 L C -0.880 176.025 176.870 0.058 0.000 1.044 133 L CA -0.370 54.464 54.840 -0.010 0.000 0.807 133 L CB 1.343 43.362 42.059 -0.068 0.000 1.192 133 L HN 0.494 nan 8.230 nan 0.000 0.425 134 V N 4.430 124.434 119.914 0.151 0.000 2.546 134 V HA 0.284 4.402 4.120 -0.004 0.000 0.284 134 V C 1.131 177.330 176.094 0.174 0.000 1.050 134 V CA 0.401 62.777 62.300 0.128 0.000 0.981 134 V CB 1.247 33.127 31.823 0.095 0.000 0.990 134 V HN 0.981 nan 8.190 nan 0.000 0.474 135 T N -0.813 113.740 114.554 -0.002 0.000 2.971 135 T HA 0.319 4.666 4.350 -0.004 0.000 0.252 135 T C 1.319 175.971 174.700 -0.080 0.000 1.022 135 T CA 0.596 62.670 62.100 -0.045 0.000 0.980 135 T CB 0.662 69.416 68.868 -0.191 0.000 1.044 135 T HN 1.465 nan 8.240 nan 0.000 0.501 136 G N 1.829 110.587 108.800 -0.071 0.000 2.157 136 G HA2 -0.180 3.777 3.960 -0.004 0.000 0.248 136 G HA3 -0.180 3.777 3.960 -0.004 0.000 0.248 136 G C -0.019 174.847 174.900 -0.057 0.000 0.979 136 G CA -0.067 44.995 45.100 -0.064 0.000 0.650 136 G HN 0.633 nan 8.290 nan 0.000 0.529 137 I N 1.183 121.709 120.570 -0.074 0.000 2.307 137 I HA 0.202 4.369 4.170 -0.004 0.000 0.289 137 I C 1.683 177.779 176.117 -0.035 0.000 1.021 137 I CA -0.735 60.552 61.300 -0.022 0.000 1.224 137 I CB 1.167 39.158 38.000 -0.015 0.000 1.376 137 I HN 0.017 nan 8.210 nan 0.000 0.470 138 K N 3.623 124.012 120.400 -0.018 0.000 2.077 138 K HA -0.219 4.099 4.320 -0.004 0.000 0.213 138 K C 1.772 178.306 176.600 -0.110 0.000 1.051 138 K CA 1.787 58.040 56.287 -0.056 0.000 0.929 138 K CB -0.249 32.215 32.500 -0.060 0.000 0.715 138 K HN 0.652 nan 8.250 nan 0.000 0.451 139 V N -0.410 119.458 119.914 -0.077 0.000 2.283 139 V HA -0.187 3.930 4.120 -0.004 0.000 0.243 139 V C 2.339 178.383 176.094 -0.083 0.000 1.039 139 V CA 1.425 63.663 62.300 -0.104 0.000 1.016 139 V CB -0.998 30.796 31.823 -0.048 0.000 0.650 139 V HN 0.007 nan 8.190 nan 0.000 0.449 140 V N 1.266 121.142 119.914 -0.063 0.000 2.231 140 V HA -0.295 3.822 4.120 -0.004 0.000 0.248 140 V C 2.509 178.547 176.094 -0.093 0.000 1.054 140 V CA 2.658 64.899 62.300 -0.098 0.000 1.015 140 V CB -0.949 30.729 31.823 -0.241 0.000 0.638 140 V HN 0.541 nan 8.190 nan 0.000 0.444 141 D N -0.441 119.901 120.400 -0.097 0.000 2.219 141 D HA -0.094 4.543 4.640 -0.004 0.000 0.205 141 D C 1.906 178.229 176.300 0.039 0.000 0.970 141 D CA 1.138 55.119 54.000 -0.032 0.000 0.851 141 D CB -0.028 40.746 40.800 -0.042 0.000 0.943 141 D HN 0.461 nan 8.370 nan 0.000 0.488 142 L N -0.622 120.577 121.223 -0.040 0.000 2.168 142 L HA 0.088 4.425 4.340 -0.004 0.000 0.203 142 L C 1.758 178.649 176.870 0.035 0.000 1.078 142 L CA 1.178 55.997 54.840 -0.035 0.000 0.780 142 L CB 0.015 41.901 42.059 -0.288 0.000 0.939 142 L HN -0.099 nan 8.230 nan 0.000 0.451 143 L N -0.547 120.647 121.223 -0.048 0.000 2.537 143 L HA 0.417 4.754 4.340 -0.004 0.000 0.224 143 L C 0.901 177.765 176.870 -0.011 0.000 1.065 143 L CA 0.433 55.245 54.840 -0.046 0.000 0.860 143 L CB 0.008 42.009 42.059 -0.098 0.000 1.086 143 L HN 0.229 nan 8.230 nan 0.000 0.482 144 A N 0.504 123.334 122.820 0.016 0.000 3.355 144 A HA 0.475 4.792 4.320 -0.004 0.000 0.290 144 A C -2.576 175.082 177.584 0.124 0.000 0.973 144 A CA -1.050 51.020 52.037 0.056 0.000 0.933 144 A CB -0.321 18.717 19.000 0.063 0.000 1.138 144 A HN -0.152 nan 8.150 nan 0.000 0.490 145 P HA 0.020 nan 4.420 nan 0.000 0.261 145 P C -0.337 177.099 177.300 0.228 0.000 1.183 145 P CA 0.632 63.802 63.100 0.117 0.000 0.761 145 P CB 0.094 31.835 31.700 0.067 0.000 0.785 146 Y N 1.952 122.253 120.300 0.001 0.000 2.335 146 Y HA 0.348 4.896 4.550 -0.004 0.000 0.348 146 Y C 1.220 177.104 175.900 -0.027 0.000 1.280 146 Y CA -0.984 57.106 58.100 -0.017 0.000 1.504 146 Y CB -0.155 38.294 38.460 -0.019 0.000 1.366 146 Y HN 0.393 nan 8.280 nan 0.000 0.621 147 A N 1.641 124.517 122.820 0.094 0.000 2.386 147 A HA 0.540 4.858 4.320 -0.004 0.000 0.311 147 A C -0.595 176.986 177.584 -0.005 0.000 1.068 147 A CA -1.116 50.937 52.037 0.027 0.000 0.743 147 A CB 0.853 19.851 19.000 -0.004 0.000 1.258 147 A HN 0.664 nan 8.150 nan 0.000 0.429 148 K N 0.751 121.139 120.400 -0.021 0.000 2.451 148 K HA 0.391 4.708 4.320 -0.004 0.000 0.280 148 K C 1.299 177.867 176.600 -0.053 0.000 1.020 148 K CA 1.767 58.023 56.287 -0.051 0.000 1.008 148 K CB 0.123 32.589 32.500 -0.056 0.000 0.917 148 K HN 1.719 nan 8.250 nan 0.000 0.478 149 G N 2.345 111.106 108.800 -0.065 0.000 2.212 149 G HA2 -0.269 3.689 3.960 -0.004 0.000 0.266 149 G HA3 -0.269 3.689 3.960 -0.004 0.000 0.266 149 G C 0.510 175.372 174.900 -0.063 0.000 0.978 149 G CA 0.104 45.167 45.100 -0.062 0.000 0.632 149 G HN 0.941 nan 8.290 nan 0.000 0.537 150 G N -0.510 108.250 108.800 -0.067 0.000 2.621 150 G HA2 0.568 4.525 3.960 -0.004 0.000 0.271 150 G HA3 0.568 4.525 3.960 -0.004 0.000 0.271 150 G C -0.250 174.582 174.900 -0.113 0.000 1.236 150 G CA -0.061 44.995 45.100 -0.074 0.000 0.958 150 G HN 0.474 nan 8.290 nan 0.000 0.512 151 K N -0.779 119.551 120.400 -0.117 0.000 2.345 151 K HA 0.573 4.890 4.320 -0.004 0.000 0.255 151 K C -1.019 175.464 176.600 -0.195 0.000 0.934 151 K CA -0.318 55.880 56.287 -0.148 0.000 0.801 151 K CB 2.241 34.680 32.500 -0.101 0.000 1.137 151 K HN 0.232 nan 8.250 nan 0.000 0.424 152 I N 1.220 121.636 120.570 -0.255 0.000 2.433 152 I HA 0.380 4.547 4.170 -0.004 0.000 0.292 152 I C 0.375 176.398 176.117 -0.157 0.000 1.001 152 I CA -0.392 60.730 61.300 -0.297 0.000 1.119 152 I CB 2.225 39.855 38.000 -0.617 0.000 1.289 152 I HN 0.680 nan 8.210 nan 0.000 0.438 153 G N 6.089 114.832 108.800 -0.096 0.000 2.393 153 G HA2 0.484 4.441 3.960 -0.004 0.000 0.311 153 G HA3 0.484 4.441 3.960 -0.004 0.000 0.311 153 G C -0.863 174.198 174.900 0.269 0.000 1.067 153 G CA -0.347 44.808 45.100 0.092 0.000 1.000 153 G HN 0.512 nan 8.290 nan 0.000 0.422 154 L N 4.126 125.503 121.223 0.257 0.000 2.259 154 L HA 0.662 4.999 4.340 -0.004 0.000 0.288 154 L C -1.121 175.988 176.870 0.398 0.000 1.051 154 L CA -0.832 54.187 54.840 0.298 0.000 0.824 154 L CB -0.121 42.072 42.059 0.222 0.000 1.206 154 L HN 0.261 nan 8.230 nan 0.000 0.429 155 F N 3.389 123.374 119.950 0.058 0.000 2.408 155 F HA 0.870 5.394 4.527 -0.005 0.000 0.325 155 F C 1.089 176.927 175.800 0.063 0.000 1.082 155 F CA -0.649 57.388 58.000 0.062 0.000 1.032 155 F CB 1.157 40.191 39.000 0.057 0.000 1.259 155 F HN 0.755 nan 8.300 nan 0.000 0.503 156 G N -0.006 108.933 108.800 0.232 0.000 2.692 156 G HA2 0.393 4.351 3.960 -0.004 0.000 0.686 156 G HA3 0.393 4.351 3.960 -0.004 0.000 0.686 156 G C -0.177 174.793 174.900 0.116 0.000 1.243 156 G CA -0.520 44.667 45.100 0.146 0.000 0.782 156 G HN 1.193 nan 8.290 nan 0.000 0.625 157 G N 0.188 109.042 108.800 0.090 0.000 2.844 157 G HA2 0.899 4.857 3.960 -0.004 0.000 0.204 157 G HA3 0.899 4.857 3.960 -0.004 0.000 0.204 157 G C 0.718 175.662 174.900 0.073 0.000 1.815 157 G CA 1.059 46.209 45.100 0.084 0.000 0.739 157 G HN 2.224 nan 8.290 nan 0.000 0.807 158 A N -1.278 121.579 122.820 0.061 0.000 2.286 158 A HA 0.582 4.899 4.320 -0.004 0.000 0.286 158 A C 1.513 179.130 177.584 0.054 0.000 1.097 158 A CA 0.906 52.975 52.037 0.054 0.000 0.821 158 A CB 0.161 19.188 19.000 0.045 0.000 1.076 158 A HN 2.339 nan 8.150 nan 0.000 0.490 159 G N -0.880 107.955 108.800 0.057 0.000 2.507 159 G HA2 -0.212 3.745 3.960 -0.004 0.000 0.240 159 G HA3 -0.212 3.745 3.960 -0.004 0.000 0.240 159 G C 0.590 175.546 174.900 0.093 0.000 1.119 159 G CA 0.880 46.020 45.100 0.067 0.000 0.664 159 G HN 2.186 nan 8.290 nan 0.000 0.516 160 V N -0.168 119.786 119.914 0.066 0.000 2.498 160 V HA 0.725 4.843 4.120 -0.004 0.000 0.279 160 V C 1.623 177.775 176.094 0.097 0.000 1.048 160 V CA 0.186 62.513 62.300 0.045 0.000 0.967 160 V CB 1.039 32.868 31.823 0.011 0.000 0.988 160 V HN 1.342 nan 8.190 nan 0.000 0.473 161 G N 2.624 111.520 108.800 0.160 0.000 3.241 161 G HA2 -0.170 3.787 3.960 -0.004 0.000 0.199 161 G HA3 -0.170 3.787 3.960 -0.004 0.000 0.199 161 G C 1.123 176.100 174.900 0.127 0.000 1.210 161 G CA 0.645 45.844 45.100 0.164 0.000 1.182 161 G HN 0.927 nan 8.290 nan 0.000 0.508 162 K N 0.509 120.974 120.400 0.107 0.000 2.032 162 K HA -0.260 4.058 4.320 -0.004 0.000 0.218 162 K C 2.725 179.377 176.600 0.087 0.000 1.054 162 K CA 2.251 58.603 56.287 0.108 0.000 0.941 162 K CB -0.584 31.976 32.500 0.099 0.000 0.720 162 K HN 0.496 nan 8.250 nan 0.000 0.449 163 T N -1.759 112.826 114.554 0.052 0.000 2.962 163 T HA -0.039 4.308 4.350 -0.004 0.000 0.270 163 T C 1.958 176.667 174.700 0.015 0.000 1.088 163 T CA 1.117 63.222 62.100 0.009 0.000 1.127 163 T CB -0.011 68.846 68.868 -0.019 0.000 0.883 163 T HN 0.048 nan 8.240 nan 0.000 0.493 164 V N 0.561 120.512 119.914 0.061 0.000 2.649 164 V HA 0.126 4.244 4.120 -0.004 0.000 0.248 164 V C 2.378 178.619 176.094 0.245 0.000 1.054 164 V CA 0.972 63.338 62.300 0.111 0.000 1.073 164 V CB -0.104 31.759 31.823 0.066 0.000 0.699 164 V HN 0.431 nan 8.190 nan 0.000 0.463 165 L N -0.265 121.123 121.223 0.274 0.000 2.109 165 L HA 0.003 4.341 4.340 -0.004 0.000 0.207 165 L C 2.042 179.008 176.870 0.160 0.000 1.086 165 L CA 1.834 56.877 54.840 0.337 0.000 0.760 165 L CB -0.406 41.838 42.059 0.308 0.000 0.910 165 L HN 0.210 nan 8.230 nan 0.000 0.437 166 I N -1.251 119.359 120.570 0.067 0.000 2.394 166 I HA -0.287 3.880 4.170 -0.004 0.000 0.251 166 I C 2.276 178.338 176.117 -0.092 0.000 1.136 166 I CA 1.265 62.495 61.300 -0.118 0.000 1.425 166 I CB -0.133 37.663 38.000 -0.340 0.000 1.079 166 I HN 0.307 nan 8.210 nan 0.000 0.425 167 M N -0.372 119.207 119.600 -0.035 0.000 2.388 167 M HA -0.141 4.336 4.480 -0.004 0.000 0.265 167 M C 2.110 178.406 176.300 -0.007 0.000 1.088 167 M CA 1.207 56.500 55.300 -0.013 0.000 1.134 167 M CB -0.117 32.479 32.600 -0.006 0.000 1.384 167 M HN 0.083 nan 8.290 nan 0.000 0.447 168 E N 1.144 121.304 120.200 -0.068 0.000 2.046 168 E HA -0.100 4.247 4.350 -0.004 0.000 0.190 168 E C 1.794 178.294 176.600 -0.167 0.000 0.982 168 E CA 1.088 57.329 56.400 -0.265 0.000 0.800 168 E CB -0.207 28.939 29.700 -0.923 0.000 0.756 168 E HN 0.396 nan 8.360 nan 0.000 0.449 169 L N 0.433 121.626 121.223 -0.050 0.000 1.990 169 L HA -0.252 4.086 4.340 -0.004 0.000 0.213 169 L C 2.513 179.469 176.870 0.143 0.000 1.072 169 L CA 1.494 56.388 54.840 0.089 0.000 0.755 169 L CB -0.602 41.644 42.059 0.311 0.000 0.889 169 L HN 0.259 nan 8.230 nan 0.000 0.432 170 I N -0.166 120.531 120.570 0.212 0.000 2.068 170 I HA -0.409 3.759 4.170 -0.004 0.000 0.238 170 I C 2.371 178.552 176.117 0.107 0.000 1.046 170 I CA 2.099 63.523 61.300 0.207 0.000 1.306 170 I CB -0.543 37.571 38.000 0.189 0.000 1.023 170 I HN 0.386 nan 8.210 nan 0.000 0.399 171 N N 1.305 120.036 118.700 0.052 0.000 2.011 171 N HA -0.251 4.487 4.740 -0.004 0.000 0.199 171 N C 1.494 177.004 175.510 0.000 0.000 1.047 171 N CA 2.239 55.300 53.050 0.018 0.000 0.863 171 N CB -0.200 38.279 38.487 -0.014 0.000 1.056 171 N HN 0.220 nan 8.380 nan 0.000 0.427 172 N N -0.473 118.208 118.700 -0.033 0.000 2.348 172 N HA -0.108 4.629 4.740 -0.004 0.000 0.185 172 N C 1.468 176.982 175.510 0.007 0.000 1.019 172 N CA 0.539 53.561 53.050 -0.047 0.000 0.880 172 N CB -0.307 38.126 38.487 -0.089 0.000 0.965 172 N HN 0.161 nan 8.380 nan 0.000 0.437 173 V N 0.617 120.575 119.914 0.074 0.000 2.407 173 V HA -0.048 4.069 4.120 -0.004 0.000 0.245 173 V C 2.246 178.386 176.094 0.076 0.000 1.041 173 V CA 1.443 63.837 62.300 0.157 0.000 1.040 173 V CB -0.746 31.162 31.823 0.142 0.000 0.671 173 V HN 0.291 nan 8.190 nan 0.000 0.455 174 A N -0.098 122.746 122.820 0.039 0.000 1.865 174 A HA -0.268 4.050 4.320 -0.004 0.000 0.217 174 A C 2.182 179.743 177.584 -0.038 0.000 1.191 174 A CA 2.293 54.328 52.037 -0.003 0.000 0.623 174 A CB -0.524 18.502 19.000 0.042 0.000 0.826 174 A HN 0.438 nan 8.150 nan 0.000 0.444 175 K N -0.166 120.210 120.400 -0.040 0.000 1.965 175 K HA -0.005 4.312 4.320 -0.004 0.000 0.218 175 K C 2.105 178.628 176.600 -0.128 0.000 1.048 175 K CA 1.845 58.090 56.287 -0.070 0.000 0.960 175 K CB -0.785 31.674 32.500 -0.069 0.000 0.732 175 K HN 0.394 nan 8.250 nan 0.000 0.444 176 A N -0.048 122.638 122.820 -0.223 0.000 2.168 176 A HA -0.081 4.237 4.320 -0.004 0.000 0.215 176 A C 0.760 178.015 177.584 -0.549 0.000 1.152 176 A CA 1.235 53.018 52.037 -0.422 0.000 0.716 176 A CB -0.353 18.293 19.000 -0.591 0.000 0.794 176 A HN 0.429 nan 8.150 nan 0.000 0.465 177 H N -2.393 116.643 119.070 -0.056 0.000 3.367 177 H HA 0.222 4.775 4.556 -0.004 0.000 0.257 177 H C 1.428 176.695 175.328 -0.100 0.000 1.201 177 H CA 0.236 56.246 56.048 -0.064 0.000 1.102 177 H CB 0.015 29.745 29.762 -0.053 0.000 1.656 177 H HN 0.537 nan 8.280 nan 0.000 0.662 178 G N 1.648 110.422 108.800 -0.043 0.000 2.269 178 G HA2 -0.272 3.685 3.960 -0.004 0.000 0.277 178 G HA3 -0.272 3.685 3.960 -0.004 0.000 0.277 178 G C 0.728 175.462 174.900 -0.277 0.000 1.008 178 G CA 0.567 45.578 45.100 -0.148 0.000 0.774 178 G HN 0.656 nan 8.290 nan 0.000 0.511 179 G N -1.330 107.371 108.800 -0.165 0.000 2.389 179 G HA2 0.612 4.570 3.960 -0.004 0.000 0.317 179 G HA3 0.612 4.570 3.960 -0.004 0.000 0.317 179 G C -0.422 174.346 174.900 -0.220 0.000 1.137 179 G CA -0.810 44.165 45.100 -0.209 0.000 0.870 179 G HN 0.148 nan 8.290 nan 0.000 0.496 180 Y N -0.051 120.184 120.300 -0.107 0.000 2.480 180 Y HA 0.641 5.188 4.550 -0.005 0.000 0.323 180 Y C 0.896 176.752 175.900 -0.074 0.000 1.267 180 Y CA -1.067 56.929 58.100 -0.174 0.000 1.336 180 Y CB 1.928 40.078 38.460 -0.517 0.000 1.361 180 Y HN 0.474 nan 8.280 nan 0.000 0.518 181 S N -0.196 115.607 115.700 0.172 0.000 2.570 181 S HA 0.774 5.241 4.470 -0.004 0.000 0.286 181 S C -1.253 173.467 174.600 0.200 0.000 1.099 181 S CA -0.916 57.393 58.200 0.181 0.000 0.913 181 S CB 1.881 65.239 63.200 0.263 0.000 1.085 181 S HN 0.300 nan 8.310 nan 0.000 0.480 182 V N 1.582 121.632 119.914 0.227 0.000 2.769 182 V HA 0.684 4.801 4.120 -0.004 0.000 0.312 182 V C -1.214 175.094 176.094 0.357 0.000 1.058 182 V CA -0.802 61.639 62.300 0.236 0.000 0.952 182 V CB 1.430 33.355 31.823 0.170 0.000 1.019 182 V HN 0.847 nan 8.190 nan 0.000 0.445 183 F N 2.279 122.324 119.950 0.158 0.000 2.539 183 F HA 0.782 5.307 4.527 -0.004 0.000 0.328 183 F C -0.008 175.879 175.800 0.145 0.000 1.148 183 F CA -0.619 57.498 58.000 0.194 0.000 0.940 183 F CB 1.187 40.276 39.000 0.149 0.000 1.194 183 F HN 0.649 nan 8.300 nan 0.000 0.438 184 A N 4.292 126.960 122.820 -0.253 0.000 2.258 184 A HA 0.670 4.988 4.320 -0.004 0.000 0.316 184 A C -0.004 177.430 177.584 -0.250 0.000 1.279 184 A CA -0.299 51.672 52.037 -0.110 0.000 0.876 184 A CB 0.317 19.261 19.000 -0.092 0.000 1.170 184 A HN 1.060 nan 8.150 nan 0.000 0.520 185 G N 1.705 110.606 108.800 0.168 0.000 2.475 185 G HA2 0.487 4.444 3.960 -0.004 0.000 0.322 185 G HA3 0.487 4.444 3.960 -0.004 0.000 0.322 185 G C -0.452 174.490 174.900 0.070 0.000 1.044 185 G CA -0.211 44.985 45.100 0.161 0.000 1.047 185 G HN 0.675 nan 8.290 nan 0.000 0.436 186 V N 2.632 122.557 119.914 0.018 0.000 2.353 186 V HA 0.558 4.675 4.120 -0.004 0.000 0.264 186 V C 1.215 177.329 176.094 0.034 0.000 1.049 186 V CA 0.466 62.792 62.300 0.043 0.000 0.896 186 V CB 0.479 32.343 31.823 0.068 0.000 1.025 186 V HN 1.326 nan 8.190 nan 0.000 0.475 187 G N 3.395 112.207 108.800 0.020 0.000 2.324 187 G HA2 -0.182 3.775 3.960 -0.004 0.000 0.292 187 G HA3 -0.182 3.775 3.960 -0.004 0.000 0.292 187 G C -0.059 174.829 174.900 -0.021 0.000 1.079 187 G CA -0.253 44.847 45.100 0.001 0.000 1.026 187 G HN 0.632 nan 8.290 nan 0.000 0.506 188 E N -0.108 120.056 120.200 -0.060 0.000 2.331 188 E HA 0.236 4.583 4.350 -0.004 0.000 0.272 188 E C 0.965 177.498 176.600 -0.112 0.000 1.036 188 E CA -0.507 55.824 56.400 -0.114 0.000 0.864 188 E CB 0.619 30.134 29.700 -0.307 0.000 1.035 188 E HN 0.507 nan 8.360 nan 0.000 0.408 189 R N 1.951 122.399 120.500 -0.086 0.000 2.296 189 R HA 0.098 4.436 4.340 -0.004 0.000 0.323 189 R C 1.265 177.517 176.300 -0.081 0.000 1.067 189 R CA -0.133 55.930 56.100 -0.063 0.000 0.946 189 R CB 0.143 30.422 30.300 -0.036 0.000 0.991 189 R HN 0.476 nan 8.270 nan 0.000 0.448 190 T N 2.112 116.625 114.554 -0.069 0.000 2.684 190 T HA -0.311 4.036 4.350 -0.004 0.000 0.267 190 T C 1.767 176.455 174.700 -0.021 0.000 1.032 190 T CA 1.901 63.970 62.100 -0.052 0.000 1.155 190 T CB -0.199 68.660 68.868 -0.015 0.000 0.857 190 T HN 0.572 nan 8.240 nan 0.000 0.457 191 R N 0.834 121.329 120.500 -0.009 0.000 2.080 191 R HA -0.118 4.220 4.340 -0.004 0.000 0.236 191 R C 2.343 178.653 176.300 0.017 0.000 1.137 191 R CA 1.786 57.893 56.100 0.012 0.000 0.943 191 R CB -0.143 30.161 30.300 0.007 0.000 0.846 191 R HN 0.523 nan 8.270 nan 0.000 0.431 192 E N -1.066 119.129 120.200 -0.009 0.000 2.268 192 E HA -0.100 4.247 4.350 -0.004 0.000 0.195 192 E C 1.771 178.361 176.600 -0.018 0.000 0.995 192 E CA 0.897 57.293 56.400 -0.006 0.000 0.836 192 E CB 0.009 29.701 29.700 -0.014 0.000 0.763 192 E HN 0.589 nan 8.360 nan 0.000 0.491 193 G N 1.987 110.739 108.800 -0.079 0.000 2.404 193 G HA2 -0.315 3.642 3.960 -0.004 0.000 0.213 193 G HA3 -0.315 3.642 3.960 -0.004 0.000 0.213 193 G C 1.363 176.382 174.900 0.199 0.000 1.189 193 G CA 0.820 45.865 45.100 -0.092 0.000 0.796 193 G HN 0.310 nan 8.290 nan 0.000 0.532 194 N N 0.564 119.380 118.700 0.193 0.000 2.192 194 N HA -0.134 4.604 4.740 -0.004 0.000 0.188 194 N C 1.494 177.217 175.510 0.354 0.000 1.013 194 N CA 1.760 55.000 53.050 0.317 0.000 0.863 194 N CB -0.204 38.428 38.487 0.242 0.000 0.990 194 N HN 0.190 nan 8.380 nan 0.000 0.430 195 D N -0.770 119.751 120.400 0.201 0.000 2.234 195 D HA -0.040 4.597 4.640 -0.004 0.000 0.205 195 D C 1.631 178.012 176.300 0.135 0.000 0.962 195 D CA 0.273 54.366 54.000 0.154 0.000 0.855 195 D CB -0.022 40.826 40.800 0.080 0.000 0.951 195 D HN 0.267 nan 8.370 nan 0.000 0.500 196 L N -0.357 120.937 121.223 0.119 0.000 2.095 196 L HA -0.046 4.291 4.340 -0.004 0.000 0.204 196 L C 1.894 178.816 176.870 0.087 0.000 1.080 196 L CA 1.310 56.173 54.840 0.038 0.000 0.759 196 L CB -0.736 41.286 42.059 -0.061 0.000 0.914 196 L HN 0.009 nan 8.230 nan 0.000 0.439 197 Y N 0.726 121.028 120.300 0.003 0.000 2.014 197 Y HA -0.342 4.205 4.550 -0.004 0.000 0.270 197 Y C 2.714 178.536 175.900 -0.131 0.000 1.145 197 Y CA 2.399 60.445 58.100 -0.089 0.000 1.106 197 Y CB -1.073 37.335 38.460 -0.087 0.000 0.968 197 Y HN 0.433 nan 8.280 nan 0.000 0.484 198 H N -0.515 118.492 119.070 -0.104 0.000 2.457 198 H HA -0.114 4.440 4.556 -0.004 0.000 0.297 198 H C 2.181 177.463 175.328 -0.078 0.000 1.092 198 H CA 1.636 57.573 56.048 -0.185 0.000 1.309 198 H CB -0.084 29.623 29.762 -0.092 0.000 1.382 198 H HN 0.528 nan 8.280 nan 0.000 0.535 199 E N -0.125 120.120 120.200 0.073 0.000 2.216 199 E HA -0.095 4.252 4.350 -0.004 0.000 0.192 199 E C 1.745 178.365 176.600 0.033 0.000 0.988 199 E CA 0.442 56.883 56.400 0.069 0.000 0.834 199 E CB 0.132 29.861 29.700 0.048 0.000 0.772 199 E HN 0.458 nan 8.360 nan 0.000 0.479 200 M N -0.004 119.586 119.600 -0.018 0.000 2.193 200 M HA -0.058 4.420 4.480 -0.004 0.000 0.265 200 M C 2.137 178.417 176.300 -0.035 0.000 1.071 200 M CA 0.937 56.220 55.300 -0.028 0.000 1.140 200 M CB -0.026 32.546 32.600 -0.047 0.000 1.369 200 M HN 0.154 nan 8.290 nan 0.000 0.423 201 I N 0.499 121.008 120.570 -0.101 0.000 2.091 201 I HA -0.336 3.831 4.170 -0.004 0.000 0.239 201 I C 2.127 178.213 176.117 -0.051 0.000 1.061 201 I CA 1.694 62.914 61.300 -0.132 0.000 1.317 201 I CB -0.430 37.394 38.000 -0.294 0.000 1.031 201 I HN 0.335 nan 8.210 nan 0.000 0.401 202 E N 0.135 120.330 120.200 -0.009 0.000 2.209 202 E HA -0.209 4.138 4.350 -0.004 0.000 0.196 202 E C 1.873 178.509 176.600 0.061 0.000 0.993 202 E CA 1.555 57.972 56.400 0.028 0.000 0.819 202 E CB -0.117 29.630 29.700 0.078 0.000 0.745 202 E HN 0.528 nan 8.360 nan 0.000 0.477 203 S N -1.422 114.330 115.700 0.086 0.000 2.577 203 S HA 0.283 4.750 4.470 -0.004 0.000 0.219 203 S C 1.508 176.139 174.600 0.052 0.000 0.962 203 S CA 0.299 58.564 58.200 0.108 0.000 0.921 203 S CB 0.732 64.009 63.200 0.128 0.000 0.789 203 S HN 0.366 nan 8.310 nan 0.000 0.497 204 G N 1.589 110.401 108.800 0.020 0.000 2.458 204 G HA2 -0.446 3.512 3.960 -0.004 0.000 0.237 204 G HA3 -0.446 3.512 3.960 -0.004 0.000 0.237 204 G C 1.188 176.089 174.900 0.002 0.000 1.113 204 G CA 0.683 45.786 45.100 0.005 0.000 0.655 204 G HN 1.458 nan 8.290 nan 0.000 0.513 205 V N -0.873 119.048 119.914 0.012 0.000 2.481 205 V HA -0.043 4.075 4.120 -0.004 0.000 0.263 205 V C 1.422 177.515 176.094 -0.002 0.000 1.108 205 V CA 2.236 64.544 62.300 0.013 0.000 1.113 205 V CB -0.632 31.203 31.823 0.020 0.000 0.684 205 V HN 0.674 nan 8.190 nan 0.000 0.467 206 I N 0.903 121.462 120.570 -0.019 0.000 2.474 206 I HA 0.499 4.666 4.170 -0.004 0.000 0.294 206 I C -0.182 175.911 176.117 -0.040 0.000 1.005 206 I CA -0.215 61.068 61.300 -0.029 0.000 1.113 206 I CB 1.763 39.745 38.000 -0.029 0.000 1.289 206 I HN 0.106 nan 8.210 nan 0.000 0.436 207 N N 5.790 124.470 118.700 -0.034 0.000 2.461 207 N HA 0.343 5.080 4.740 -0.004 0.000 0.284 207 N C 0.043 175.535 175.510 -0.030 0.000 1.049 207 N CA -0.334 52.696 53.050 -0.033 0.000 0.889 207 N CB 1.963 40.438 38.487 -0.021 0.000 1.365 207 N HN 0.540 nan 8.380 nan 0.000 0.499 208 L N 2.910 124.111 121.223 -0.037 0.000 2.341 208 L HA 0.111 4.448 4.340 -0.004 0.000 0.214 208 L C 2.097 178.958 176.870 -0.014 0.000 1.115 208 L CA 0.895 55.720 54.840 -0.024 0.000 0.820 208 L CB 0.147 42.184 42.059 -0.036 0.000 0.944 208 L HN 0.412 nan 8.230 nan 0.000 0.452 209 K N -0.363 120.027 120.400 -0.016 0.000 2.067 209 K HA -0.056 4.261 4.320 -0.004 0.000 0.203 209 K C 0.807 177.403 176.600 -0.007 0.000 1.048 209 K CA 1.116 57.397 56.287 -0.010 0.000 0.954 209 K CB 0.137 32.631 32.500 -0.011 0.000 0.737 209 K HN 0.382 nan 8.250 nan 0.000 0.444 210 D N -1.450 118.945 120.400 -0.008 0.000 2.443 210 D HA 0.229 4.866 4.640 -0.004 0.000 0.249 210 D C -0.436 175.860 176.300 -0.007 0.000 1.218 210 D CA -0.603 53.394 54.000 -0.005 0.000 1.108 210 D CB 0.205 41.004 40.800 -0.002 0.000 1.197 210 D HN -0.068 nan 8.370 nan 0.000 0.600 211 A N -0.906 121.912 122.820 -0.005 0.000 2.806 211 A HA 0.432 4.749 4.320 -0.004 0.000 0.266 211 A C 0.321 177.900 177.584 -0.009 0.000 0.926 211 A CA 0.093 52.123 52.037 -0.010 0.000 1.068 211 A CB -0.592 18.407 19.000 -0.001 0.000 1.189 211 A HN 0.547 nan 8.150 nan 0.000 0.481 212 T N -2.242 112.307 114.554 -0.009 0.000 3.174 212 T HA 0.232 4.579 4.350 -0.004 0.000 0.269 212 T C 0.410 175.105 174.700 -0.008 0.000 1.017 212 T CA 0.282 62.385 62.100 0.005 0.000 0.899 212 T CB -0.457 68.418 68.868 0.013 0.000 1.077 212 T HN 0.241 nan 8.240 nan 0.000 0.552 213 S N 2.195 117.870 115.700 -0.042 0.000 2.533 213 S HA 0.238 4.705 4.470 -0.004 0.000 0.282 213 S C 0.590 175.139 174.600 -0.084 0.000 1.304 213 S CA -0.690 57.477 58.200 -0.054 0.000 1.063 213 S CB 0.881 64.042 63.200 -0.066 0.000 0.881 213 S HN 0.528 nan 8.310 nan 0.000 0.493 214 K N 0.865 121.251 120.400 -0.024 0.000 2.399 214 K HA 0.289 4.606 4.320 -0.004 0.000 0.204 214 K C -0.672 175.935 176.600 0.011 0.000 1.023 214 K CA -0.054 56.248 56.287 0.025 0.000 1.127 214 K CB 0.215 32.787 32.500 0.120 0.000 0.856 214 K HN 0.444 nan 8.250 nan 0.000 0.514 215 V N -0.115 119.782 119.914 -0.028 0.000 2.888 215 V HA 0.666 4.783 4.120 -0.004 0.000 0.309 215 V C -1.005 175.082 176.094 -0.011 0.000 1.114 215 V CA -1.465 60.849 62.300 0.023 0.000 0.940 215 V CB 1.770 33.635 31.823 0.070 0.000 1.021 215 V HN 0.081 nan 8.190 nan 0.000 0.426 216 A N 4.166 127.005 122.820 0.031 0.000 2.318 216 A HA 0.910 5.227 4.320 -0.004 0.000 0.324 216 A C -0.834 176.765 177.584 0.025 0.000 1.170 216 A CA -0.589 51.455 52.037 0.011 0.000 0.810 216 A CB 0.943 19.971 19.000 0.048 0.000 1.198 216 A HN 0.844 nan 8.150 nan 0.000 0.484 217 L N 2.881 124.057 121.223 -0.078 0.000 2.307 217 L HA 0.551 4.888 4.340 -0.004 0.000 0.284 217 L C -0.828 175.922 176.870 -0.200 0.000 1.023 217 L CA -0.885 53.870 54.840 -0.143 0.000 0.810 217 L CB 1.653 43.465 42.059 -0.412 0.000 1.231 217 L HN 0.410 nan 8.230 nan 0.000 0.423 218 V N 3.153 123.046 119.914 -0.035 0.000 2.448 218 V HA 0.434 4.551 4.120 -0.004 0.000 0.295 218 V C -0.875 175.341 176.094 0.204 0.000 1.025 218 V CA -0.620 61.683 62.300 0.005 0.000 0.859 218 V CB 1.696 33.538 31.823 0.031 0.000 0.988 218 V HN 0.374 nan 8.190 nan 0.000 0.431 219 Y N 1.980 122.304 120.300 0.040 0.000 2.393 219 Y HA 0.733 5.280 4.550 -0.005 0.000 0.341 219 Y C 0.658 176.573 175.900 0.026 0.000 0.988 219 Y CA -1.702 56.428 58.100 0.049 0.000 1.078 219 Y CB 2.443 40.920 38.460 0.028 0.000 1.203 219 Y HN 0.653 nan 8.280 nan 0.000 0.453 220 G N 3.577 112.475 108.800 0.164 0.000 3.678 220 G HA2 0.374 4.332 3.960 -0.004 0.000 0.344 220 G HA3 0.374 4.332 3.960 -0.004 0.000 0.344 220 G C -0.591 174.322 174.900 0.021 0.000 1.450 220 G CA -0.548 44.597 45.100 0.076 0.000 1.078 220 G HN 0.564 nan 8.290 nan 0.000 0.474 221 Q N 0.762 120.564 119.800 0.004 0.000 2.474 221 Q HA 0.177 4.514 4.340 -0.004 0.000 0.256 221 Q C 1.706 177.694 176.000 -0.019 0.000 1.048 221 Q CA 0.124 55.906 55.803 -0.036 0.000 0.922 221 Q CB 1.144 29.866 28.738 -0.027 0.000 1.288 221 Q HN 0.537 nan 8.270 nan 0.000 0.484 222 M N 1.215 120.798 119.600 -0.029 0.000 2.446 222 M HA -0.171 4.307 4.480 -0.004 0.000 0.263 222 M C 0.836 177.129 176.300 -0.012 0.000 1.066 222 M CA 1.276 56.565 55.300 -0.019 0.000 1.087 222 M CB -0.204 32.382 32.600 -0.022 0.000 1.406 222 M HN 0.608 nan 8.290 nan 0.000 0.459 223 N N -0.267 118.427 118.700 -0.009 0.000 2.416 223 N HA -0.019 4.718 4.740 -0.004 0.000 0.177 223 N C 0.036 175.545 175.510 -0.001 0.000 1.036 223 N CA 0.109 53.156 53.050 -0.005 0.000 0.901 223 N CB -0.025 38.461 38.487 -0.002 0.000 0.976 223 N HN 0.455 nan 8.380 nan 0.000 0.444 224 E N 1.978 122.179 120.200 0.001 0.000 2.418 224 E HA 0.098 4.445 4.350 -0.004 0.000 0.261 224 E C -2.227 174.374 176.600 0.002 0.000 1.070 224 E CA -1.620 54.783 56.400 0.005 0.000 0.931 224 E CB 0.412 30.119 29.700 0.012 0.000 0.954 224 E HN 0.101 nan 8.360 nan 0.000 0.439 225 P HA -0.002 nan 4.420 nan 0.000 0.272 225 P C -2.159 175.140 177.300 -0.002 0.000 1.230 225 P CA -1.180 61.920 63.100 0.000 0.000 0.788 225 P CB -0.032 31.669 31.700 0.003 0.000 0.949 226 P HA -0.272 nan 4.420 nan 0.000 0.218 226 P C 1.644 178.938 177.300 -0.011 0.000 1.165 226 P CA 2.445 65.534 63.100 -0.018 0.000 0.922 226 P CB -0.869 30.816 31.700 -0.025 0.000 0.794 227 G N -0.258 108.542 108.800 -0.000 0.000 2.469 227 G HA2 -0.281 3.676 3.960 -0.004 0.000 0.220 227 G HA3 -0.281 3.676 3.960 -0.004 0.000 0.220 227 G C 1.731 176.646 174.900 0.025 0.000 1.136 227 G CA 1.394 46.503 45.100 0.014 0.000 0.759 227 G HN 0.444 nan 8.290 nan 0.000 0.562 228 A N 0.851 123.684 122.820 0.021 0.000 1.872 228 A HA 0.067 4.384 4.320 -0.004 0.000 0.214 228 A C 2.405 180.009 177.584 0.033 0.000 1.187 228 A CA 1.330 53.382 52.037 0.025 0.000 0.614 228 A CB -0.286 18.726 19.000 0.020 0.000 0.826 228 A HN 0.363 nan 8.150 nan 0.000 0.442 229 R N -0.168 120.348 120.500 0.026 0.000 2.280 229 R HA 0.110 4.447 4.340 -0.004 0.000 0.207 229 R C 2.064 178.399 176.300 0.057 0.000 1.043 229 R CA 0.699 56.821 56.100 0.036 0.000 1.006 229 R CB -0.297 30.012 30.300 0.016 0.000 0.885 229 R HN 0.503 nan 8.270 nan 0.000 0.467 230 A N 1.249 124.093 122.820 0.039 0.000 1.874 230 A HA -0.034 4.283 4.320 -0.004 0.000 0.214 230 A C 1.946 179.613 177.584 0.139 0.000 1.189 230 A CA 0.684 52.744 52.037 0.038 0.000 0.615 230 A CB 0.064 19.061 19.000 -0.005 0.000 0.830 230 A HN 0.037 nan 8.150 nan 0.000 0.443 231 R N -0.006 120.553 120.500 0.099 0.000 2.140 231 R HA -0.018 4.320 4.340 -0.004 0.000 0.213 231 R C 2.128 178.457 176.300 0.048 0.000 1.059 231 R CA 1.354 57.502 56.100 0.080 0.000 1.000 231 R CB -1.628 28.689 30.300 0.029 0.000 0.910 231 R HN 0.589 nan 8.270 nan 0.000 0.455 232 V N -0.408 119.534 119.914 0.047 0.000 2.511 232 V HA -0.207 3.911 4.120 -0.004 0.000 0.257 232 V C 2.155 178.255 176.094 0.011 0.000 1.088 232 V CA 2.008 64.326 62.300 0.030 0.000 1.098 232 V CB -1.149 30.706 31.823 0.053 0.000 0.674 232 V HN 0.182 nan 8.190 nan 0.000 0.470 233 A N 0.142 122.973 122.820 0.019 0.000 2.067 233 A HA 0.201 4.519 4.320 -0.004 0.000 0.217 233 A C 2.164 179.686 177.584 -0.104 0.000 1.156 233 A CA 1.436 53.422 52.037 -0.085 0.000 0.683 233 A CB -0.403 18.459 19.000 -0.229 0.000 0.808 233 A HN 0.589 nan 8.150 nan 0.000 0.455 234 L N -1.198 119.990 121.223 -0.058 0.000 2.044 234 L HA -0.121 4.216 4.340 -0.004 0.000 0.205 234 L C 2.745 179.564 176.870 -0.086 0.000 1.075 234 L CA 1.666 56.458 54.840 -0.079 0.000 0.747 234 L CB -1.188 40.817 42.059 -0.088 0.000 0.903 234 L HN 0.272 nan 8.230 nan 0.000 0.435 235 T N 0.150 114.656 114.554 -0.080 0.000 2.653 235 T HA -0.208 4.140 4.350 -0.004 0.000 0.268 235 T C 1.800 176.470 174.700 -0.051 0.000 1.035 235 T CA 1.753 63.809 62.100 -0.073 0.000 1.154 235 T CB -0.616 68.217 68.868 -0.057 0.000 0.862 235 T HN 0.597 nan 8.240 nan 0.000 0.441 236 G N 1.009 109.787 108.800 -0.038 0.000 2.442 236 G HA2 -0.162 3.795 3.960 -0.004 0.000 0.219 236 G HA3 -0.162 3.795 3.960 -0.004 0.000 0.219 236 G C 1.504 176.392 174.900 -0.019 0.000 1.141 236 G CA 0.714 45.804 45.100 -0.017 0.000 0.763 236 G HN 0.385 nan 8.290 nan 0.000 0.554 237 L N 0.999 122.192 121.223 -0.050 0.000 2.012 237 L HA -0.035 4.302 4.340 -0.004 0.000 0.210 237 L C 3.011 179.867 176.870 -0.024 0.000 1.073 237 L CA 2.424 57.234 54.840 -0.049 0.000 0.748 237 L CB -1.136 40.877 42.059 -0.077 0.000 0.891 237 L HN 0.196 nan 8.230 nan 0.000 0.431 238 T N -1.121 113.412 114.554 -0.035 0.000 2.635 238 T HA -0.223 4.125 4.350 -0.004 0.000 0.267 238 T C 1.971 176.664 174.700 -0.012 0.000 1.040 238 T CA 1.874 63.957 62.100 -0.029 0.000 1.156 238 T CB -0.425 68.413 68.868 -0.051 0.000 0.863 238 T HN 0.182 nan 8.240 nan 0.000 0.430 239 V N 1.599 121.504 119.914 -0.015 0.000 2.231 239 V HA -0.251 3.867 4.120 -0.004 0.000 0.248 239 V C 2.859 178.996 176.094 0.072 0.000 1.054 239 V CA 2.024 64.320 62.300 -0.006 0.000 1.015 239 V CB -1.305 30.537 31.823 0.032 0.000 0.638 239 V HN 0.576 nan 8.190 nan 0.000 0.444 240 A N -0.751 122.146 122.820 0.129 0.000 1.917 240 A HA -0.318 4.000 4.320 -0.004 0.000 0.219 240 A C 2.128 179.796 177.584 0.140 0.000 1.182 240 A CA 2.249 54.403 52.037 0.196 0.000 0.633 240 A CB -0.671 18.397 19.000 0.114 0.000 0.819 240 A HN 0.661 nan 8.150 nan 0.000 0.448 241 E N -1.868 118.368 120.200 0.061 0.000 2.160 241 E HA -0.240 4.108 4.350 -0.004 0.000 0.195 241 E C 1.743 178.354 176.600 0.017 0.000 0.991 241 E CA 1.475 57.892 56.400 0.029 0.000 0.810 241 E CB -0.308 29.397 29.700 0.008 0.000 0.742 241 E HN 0.837 nan 8.360 nan 0.000 0.466 242 Y N 0.364 120.574 120.300 -0.150 0.000 2.114 242 Y HA -0.234 4.313 4.550 -0.006 0.000 0.284 242 Y C 1.501 177.255 175.900 -0.242 0.000 1.143 242 Y CA 1.502 59.441 58.100 -0.267 0.000 1.135 242 Y CB -0.380 37.792 38.460 -0.480 0.000 0.980 242 Y HN -0.055 nan 8.280 nan 0.000 0.499 243 F N 0.665 120.781 119.950 0.277 0.000 2.724 243 F HA -0.024 4.502 4.527 -0.001 0.000 0.297 243 F C 2.389 178.188 175.800 -0.001 0.000 1.200 243 F CA 1.252 59.350 58.000 0.165 0.000 1.468 243 F CB -0.442 38.744 39.000 0.310 0.000 1.116 243 F HN 0.142 nan 8.300 nan 0.000 0.599 244 R N -0.359 120.165 120.500 0.039 0.000 2.302 244 R HA 0.038 4.375 4.340 -0.004 0.000 0.187 244 R C 1.086 177.342 176.300 -0.072 0.000 0.904 244 R CA 0.427 56.526 56.100 -0.001 0.000 1.105 244 R CB 0.146 30.454 30.300 0.015 0.000 1.239 244 R HN 0.016 nan 8.270 nan 0.000 0.620 245 D N 0.382 120.714 120.400 -0.112 0.000 2.348 245 D HA -0.016 4.622 4.640 -0.004 0.000 0.211 245 D C 1.276 177.463 176.300 -0.188 0.000 0.998 245 D CA 0.645 54.574 54.000 -0.119 0.000 0.873 245 D CB 0.599 41.350 40.800 -0.082 0.000 0.925 245 D HN 0.141 nan 8.370 nan 0.000 0.524 246 Q N -0.238 119.352 119.800 -0.352 0.000 2.322 246 Q HA 0.159 4.496 4.340 -0.004 0.000 0.250 246 Q C 0.739 176.526 176.000 -0.355 0.000 0.853 246 Q CA 0.448 55.973 55.803 -0.463 0.000 0.951 246 Q CB 1.149 29.264 28.738 -1.038 0.000 1.114 246 Q HN 0.367 nan 8.270 nan 0.000 0.523 247 E N -0.726 119.308 120.200 -0.277 0.000 2.743 247 E HA 0.201 4.548 4.350 -0.004 0.000 0.222 247 E C 0.114 176.698 176.600 -0.028 0.000 0.959 247 E CA 0.108 56.455 56.400 -0.089 0.000 1.198 247 E CB 1.154 30.885 29.700 0.051 0.000 1.100 247 E HN 0.267 nan 8.360 nan 0.000 0.518 248 G N 2.995 111.764 108.800 -0.051 0.000 2.441 248 G HA2 -0.336 3.621 3.960 -0.004 0.000 0.298 248 G HA3 -0.336 3.621 3.960 -0.004 0.000 0.298 248 G C 0.172 175.066 174.900 -0.010 0.000 0.949 248 G CA 1.010 46.092 45.100 -0.030 0.000 1.072 248 G HN 0.241 nan 8.290 nan 0.000 0.512 249 Q N -0.836 118.975 119.800 0.018 0.000 2.173 249 Q HA 0.482 4.819 4.340 -0.004 0.000 0.186 249 Q C -0.675 175.322 176.000 -0.005 0.000 1.018 249 Q CA -0.731 55.073 55.803 0.001 0.000 1.064 249 Q CB 0.700 29.441 28.738 0.005 0.000 1.130 249 Q HN 0.208 nan 8.270 nan 0.000 0.553 250 D N 0.899 121.282 120.400 -0.028 0.000 2.477 250 D HA 0.275 4.912 4.640 -0.004 0.000 0.239 250 D C -0.987 175.293 176.300 -0.033 0.000 1.102 250 D CA -0.136 53.830 54.000 -0.057 0.000 0.901 250 D CB 1.011 41.733 40.800 -0.130 0.000 1.026 250 D HN 0.112 nan 8.370 nan 0.000 0.515 251 V N 1.519 121.442 119.914 0.014 0.000 3.083 251 V HA 0.370 4.487 4.120 -0.004 0.000 0.306 251 V C 0.575 176.658 176.094 -0.018 0.000 1.077 251 V CA -0.759 61.574 62.300 0.054 0.000 1.073 251 V CB 1.437 33.346 31.823 0.143 0.000 1.081 251 V HN 0.351 nan 8.190 nan 0.000 0.474 252 L N 2.783 123.989 121.223 -0.028 0.000 2.333 252 L HA 0.560 4.898 4.340 -0.004 0.000 0.280 252 L C -1.025 175.726 176.870 -0.198 0.000 1.004 252 L CA -0.582 54.160 54.840 -0.164 0.000 0.820 252 L CB 1.693 43.634 42.059 -0.196 0.000 1.247 252 L HN 0.508 nan 8.230 nan 0.000 0.416 253 L N 3.918 124.964 121.223 -0.294 0.000 2.333 253 L HA 0.580 4.918 4.340 -0.004 0.000 0.280 253 L C -1.439 175.222 176.870 -0.349 0.000 1.004 253 L CA 0.160 54.873 54.840 -0.212 0.000 0.820 253 L CB 1.361 43.338 42.059 -0.136 0.000 1.247 253 L HN 0.239 nan 8.230 nan 0.000 0.416 254 F N 6.018 125.919 119.950 -0.081 0.000 2.427 254 F HA 0.546 5.071 4.527 -0.004 0.000 0.348 254 F C -0.294 175.287 175.800 -0.364 0.000 1.125 254 F CA -0.404 57.498 58.000 -0.163 0.000 0.989 254 F CB 1.357 40.310 39.000 -0.078 0.000 1.165 254 F HN 0.224 nan 8.300 nan 0.000 0.442 255 I N 3.372 123.878 120.570 -0.107 0.000 2.354 255 I HA 0.285 4.452 4.170 -0.004 0.000 0.286 255 I C -0.830 175.205 176.117 -0.137 0.000 1.007 255 I CA -0.277 60.910 61.300 -0.189 0.000 1.167 255 I CB 1.177 39.066 38.000 -0.185 0.000 1.320 255 I HN 0.354 nan 8.210 nan 0.000 0.458 256 D N 5.713 125.986 120.400 -0.210 0.000 2.462 256 D HA 0.284 4.921 4.640 -0.004 0.000 0.245 256 D C -0.948 175.353 176.300 0.002 0.000 1.122 256 D CA -0.438 53.528 54.000 -0.057 0.000 0.864 256 D CB 1.060 41.861 40.800 0.003 0.000 1.098 256 D HN 0.598 nan 8.370 nan 0.000 0.541 257 N N 2.171 120.904 118.700 0.055 0.000 2.272 257 N HA 0.213 4.951 4.740 -0.004 0.000 0.305 257 N C 0.588 176.170 175.510 0.120 0.000 1.103 257 N CA -0.732 52.371 53.050 0.089 0.000 0.791 257 N CB 1.322 39.888 38.487 0.131 0.000 1.356 257 N HN 0.145 nan 8.380 nan 0.000 0.486 258 I N 0.977 121.613 120.570 0.109 0.000 2.502 258 I HA -0.093 4.074 4.170 -0.004 0.000 0.258 258 I C 1.203 177.465 176.117 0.241 0.000 1.172 258 I CA 1.153 62.530 61.300 0.128 0.000 1.430 258 I CB -0.494 37.546 38.000 0.067 0.000 1.086 258 I HN 0.743 nan 8.210 nan 0.000 0.440 259 F N 1.136 121.174 119.950 0.146 0.000 2.206 259 F HA -0.071 4.454 4.527 -0.003 0.000 0.298 259 F C 2.413 178.304 175.800 0.152 0.000 1.090 259 F CA 1.330 59.437 58.000 0.178 0.000 1.323 259 F CB -0.328 38.831 39.000 0.265 0.000 1.028 259 F HN -0.091 nan 8.300 nan 0.000 0.492 260 R N -0.873 119.679 120.500 0.086 0.000 2.285 260 R HA -0.129 4.209 4.340 -0.004 0.000 0.213 260 R C 1.978 178.261 176.300 -0.028 0.000 1.068 260 R CA 1.008 57.089 56.100 -0.032 0.000 1.004 260 R CB -0.628 29.706 30.300 0.056 0.000 0.873 260 R HN 0.388 nan 8.270 nan 0.000 0.467 261 F N 1.192 121.076 119.950 -0.111 0.000 2.098 261 F HA -0.116 4.407 4.527 -0.007 0.000 0.294 261 F C 2.026 177.757 175.800 -0.116 0.000 1.107 261 F CA 1.520 59.466 58.000 -0.089 0.000 1.234 261 F CB -0.612 38.349 39.000 -0.065 0.000 1.002 261 F HN -0.212 nan 8.300 nan 0.000 0.472 262 T N 0.600 114.946 114.554 -0.345 0.000 2.684 262 T HA -0.203 4.144 4.350 -0.004 0.000 0.267 262 T C 1.876 176.376 174.700 -0.334 0.000 1.036 262 T CA 1.645 63.507 62.100 -0.398 0.000 1.148 262 T CB -0.267 68.440 68.868 -0.269 0.000 0.863 262 T HN 0.206 nan 8.240 nan 0.000 0.436 263 Q N 0.733 120.282 119.800 -0.419 0.000 2.084 263 Q HA 0.046 4.383 4.340 -0.004 0.000 0.202 263 Q C 2.646 178.527 176.000 -0.198 0.000 0.978 263 Q CA 1.685 57.304 55.803 -0.306 0.000 0.844 263 Q CB -0.952 27.565 28.738 -0.368 0.000 0.898 263 Q HN 0.573 nan 8.270 nan 0.000 0.426 264 A N 0.266 122.965 122.820 -0.202 0.000 1.940 264 A HA -0.107 4.210 4.320 -0.004 0.000 0.219 264 A C 2.288 179.771 177.584 -0.169 0.000 1.176 264 A CA 1.829 53.779 52.037 -0.145 0.000 0.631 264 A CB -1.046 17.891 19.000 -0.105 0.000 0.814 264 A HN 0.458 nan 8.150 nan 0.000 0.446 265 G N -0.650 107.988 108.800 -0.270 0.000 2.459 265 G HA2 -0.187 3.770 3.960 -0.004 0.000 0.217 265 G HA3 -0.187 3.770 3.960 -0.004 0.000 0.217 265 G C 1.852 176.672 174.900 -0.132 0.000 1.183 265 G CA 1.318 46.268 45.100 -0.249 0.000 0.776 265 G HN 0.487 nan 8.290 nan 0.000 0.552 266 S N 0.763 116.404 115.700 -0.098 0.000 2.359 266 S HA -0.120 4.348 4.470 -0.004 0.000 0.224 266 S C 2.193 176.758 174.600 -0.059 0.000 1.035 266 S CA 1.635 59.805 58.200 -0.051 0.000 1.018 266 S CB -0.301 62.873 63.200 -0.043 0.000 0.876 266 S HN 0.631 nan 8.310 nan 0.000 0.448 267 E N 0.627 120.785 120.200 -0.070 0.000 2.058 267 E HA -0.136 4.212 4.350 -0.004 0.000 0.194 267 E C 2.153 178.727 176.600 -0.043 0.000 0.997 267 E CA 1.410 57.778 56.400 -0.053 0.000 0.801 267 E CB -0.403 29.266 29.700 -0.052 0.000 0.746 267 E HN 0.277 nan 8.360 nan 0.000 0.450 268 V N 1.165 121.049 119.914 -0.050 0.000 2.287 268 V HA -0.292 3.826 4.120 -0.004 0.000 0.248 268 V C 2.505 178.580 176.094 -0.031 0.000 1.053 268 V CA 1.979 64.257 62.300 -0.037 0.000 1.027 268 V CB -0.581 31.217 31.823 -0.040 0.000 0.646 268 V HN 0.276 nan 8.190 nan 0.000 0.447 269 S N -0.229 115.448 115.700 -0.038 0.000 2.353 269 S HA -0.245 4.222 4.470 -0.004 0.000 0.222 269 S C 2.185 176.773 174.600 -0.020 0.000 1.035 269 S CA 1.835 60.018 58.200 -0.027 0.000 1.025 269 S CB -0.464 62.720 63.200 -0.026 0.000 0.902 269 S HN 0.639 nan 8.310 nan 0.000 0.440 270 A N 1.644 124.449 122.820 -0.024 0.000 1.917 270 A HA -0.050 4.267 4.320 -0.004 0.000 0.219 270 A C 2.207 179.781 177.584 -0.016 0.000 1.182 270 A CA 1.717 53.741 52.037 -0.021 0.000 0.633 270 A CB -0.904 18.079 19.000 -0.027 0.000 0.819 270 A HN 0.613 nan 8.150 nan 0.000 0.448 271 L N -0.997 120.216 121.223 -0.017 0.000 2.131 271 L HA -0.101 4.236 4.340 -0.004 0.000 0.210 271 L C 1.674 178.540 176.870 -0.007 0.000 1.092 271 L CA 0.768 55.601 54.840 -0.011 0.000 0.759 271 L CB -0.564 41.488 42.059 -0.011 0.000 0.903 271 L HN 0.336 nan 8.230 nan 0.000 0.435 272 L N 0.360 121.578 121.223 -0.007 0.000 2.660 272 L HA 0.160 4.497 4.340 -0.004 0.000 0.238 272 L C 1.332 178.200 176.870 -0.003 0.000 1.161 272 L CA 0.131 54.969 54.840 -0.003 0.000 0.937 272 L CB -0.703 41.354 42.059 -0.003 0.000 1.122 272 L HN 0.421 nan 8.230 nan 0.000 0.435 273 G N 1.065 109.862 108.800 -0.005 0.000 2.258 273 G HA2 -0.323 3.634 3.960 -0.004 0.000 0.274 273 G HA3 -0.323 3.634 3.960 -0.004 0.000 0.274 273 G C 0.289 175.187 174.900 -0.004 0.000 1.021 273 G CA 0.152 45.249 45.100 -0.004 0.000 0.798 273 G HN 0.501 nan 8.290 nan 0.000 0.507 274 R N -0.665 119.832 120.500 -0.005 0.000 2.349 274 R HA 0.558 4.896 4.340 -0.004 0.000 0.299 274 R C 0.863 177.162 176.300 -0.003 0.000 1.027 274 R CA -1.002 55.096 56.100 -0.003 0.000 0.958 274 R CB 1.260 31.558 30.300 -0.004 0.000 1.047 274 R HN 0.267 nan 8.270 nan 0.000 0.468 275 I N 4.628 125.198 120.570 -0.001 0.000 2.742 275 I HA -0.039 4.128 4.170 -0.004 0.000 0.287 275 I C -1.711 174.409 176.117 0.004 0.000 1.186 275 I CA -1.185 60.115 61.300 0.001 0.000 1.417 275 I CB 0.028 38.029 38.000 0.002 0.000 1.377 275 I HN 0.274 nan 8.210 nan 0.000 0.556 276 P HA 0.102 nan 4.420 nan 0.000 0.272 276 P C -0.372 176.942 177.300 0.024 0.000 1.240 276 P CA -0.343 62.763 63.100 0.009 0.000 0.791 276 P CB 0.697 32.391 31.700 -0.010 0.000 0.978 277 S N -0.251 115.479 115.700 0.050 0.000 2.694 277 S HA 0.714 5.182 4.470 -0.004 0.000 0.286 277 S C -0.045 174.597 174.600 0.070 0.000 1.080 277 S CA -0.668 57.565 58.200 0.054 0.000 0.953 277 S CB -0.241 62.991 63.200 0.054 0.000 1.313 277 S HN 0.540 nan 8.310 nan 0.000 0.555 278 A N 0.376 123.243 122.820 0.079 0.000 2.598 278 A HA 0.404 4.721 4.320 -0.004 0.000 0.239 278 A C 1.112 178.778 177.584 0.137 0.000 1.032 278 A CA 0.271 52.360 52.037 0.087 0.000 0.760 278 A CB -1.312 17.738 19.000 0.083 0.000 0.946 278 A HN 1.837 nan 8.150 nan 0.000 0.512 279 V N 1.351 121.315 119.914 0.083 0.000 2.666 279 V HA -0.324 3.793 4.120 -0.004 0.000 0.147 279 V C 1.941 177.972 176.094 -0.105 0.000 0.450 279 V CA 1.810 64.135 62.300 0.043 0.000 1.232 279 V CB -2.392 29.530 31.823 0.165 0.000 1.437 279 V HN 2.978 nan 8.190 nan 0.000 1.056 280 G N -2.750 106.012 108.800 -0.064 0.000 2.199 280 G HA2 -0.343 3.614 3.960 -0.004 0.000 0.254 280 G HA3 -0.343 3.614 3.960 -0.004 0.000 0.254 280 G C -0.045 174.754 174.900 -0.168 0.000 0.982 280 G CA 0.401 45.420 45.100 -0.134 0.000 0.632 280 G HN 0.842 nan 8.290 nan 0.000 0.529 281 Y N 1.729 122.032 120.300 0.006 0.000 2.220 281 Y HA 0.412 4.959 4.550 -0.005 0.000 0.347 281 Y C 1.495 177.381 175.900 -0.023 0.000 1.311 281 Y CA 0.214 58.306 58.100 -0.013 0.000 1.593 281 Y CB 0.242 38.700 38.460 -0.003 0.000 1.419 281 Y HN 0.410 nan 8.280 nan 0.000 0.614 282 Q N 1.259 121.159 119.800 0.166 0.000 2.373 282 Q HA 0.142 4.479 4.340 -0.004 0.000 0.255 282 Q C -2.395 173.640 176.000 0.057 0.000 0.980 282 Q CA -1.766 54.075 55.803 0.063 0.000 0.882 282 Q CB 0.825 29.573 28.738 0.015 0.000 1.249 282 Q HN 0.325 nan 8.270 nan 0.000 0.438 283 P HA -0.116 nan 4.420 nan 0.000 0.216 283 P C 0.889 178.199 177.300 0.017 0.000 1.150 283 P CA 1.763 64.878 63.100 0.025 0.000 0.837 283 P CB -0.065 31.643 31.700 0.013 0.000 0.786 284 T N -3.580 110.978 114.554 0.007 0.000 3.312 284 T HA 0.162 4.509 4.350 -0.004 0.000 0.251 284 T C 1.322 176.019 174.700 -0.005 0.000 1.012 284 T CA -0.334 61.767 62.100 0.001 0.000 0.925 284 T CB -0.988 67.874 68.868 -0.010 0.000 1.049 284 T HN -0.130 nan 8.240 nan 0.000 0.583 285 L N 1.701 122.923 121.223 -0.002 0.000 2.021 285 L HA -0.018 4.320 4.340 -0.004 0.000 0.215 285 L C 2.648 179.515 176.870 -0.003 0.000 1.074 285 L CA 2.344 57.168 54.840 -0.026 0.000 0.760 285 L CB -0.996 41.036 42.059 -0.045 0.000 0.889 285 L HN 0.379 nan 8.230 nan 0.000 0.433 286 A N -1.605 121.227 122.820 0.020 0.000 2.014 286 A HA -0.139 4.179 4.320 -0.004 0.000 0.218 286 A C 2.301 179.931 177.584 0.075 0.000 1.163 286 A CA 1.932 54.003 52.037 0.057 0.000 0.652 286 A CB -1.122 17.907 19.000 0.048 0.000 0.808 286 A HN 0.668 nan 8.150 nan 0.000 0.449 287 T N -3.000 111.582 114.554 0.047 0.000 2.976 287 T HA -0.062 4.285 4.350 -0.004 0.000 0.257 287 T C 1.327 176.059 174.700 0.054 0.000 1.051 287 T CA 1.088 63.218 62.100 0.049 0.000 1.141 287 T CB -0.378 68.506 68.868 0.027 0.000 0.881 287 T HN 0.265 nan 8.240 nan 0.000 0.461 288 D N 1.047 121.467 120.400 0.033 0.000 2.190 288 D HA -0.074 4.564 4.640 -0.004 0.000 0.200 288 D C 1.860 178.247 176.300 0.145 0.000 0.992 288 D CA 1.216 55.237 54.000 0.035 0.000 0.854 288 D CB -0.286 40.469 40.800 -0.075 0.000 0.936 288 D HN 0.403 nan 8.370 nan 0.000 0.462 289 M N 0.187 119.869 119.600 0.138 0.000 2.216 289 M HA 0.115 4.592 4.480 -0.004 0.000 0.264 289 M C 2.008 178.311 176.300 0.004 0.000 1.080 289 M CA 1.830 57.234 55.300 0.173 0.000 1.153 289 M CB -0.563 32.117 32.600 0.133 0.000 1.356 289 M HN -0.061 nan 8.290 nan 0.000 0.432 290 G N -0.765 108.071 108.800 0.060 0.000 2.421 290 G HA2 -0.250 3.707 3.960 -0.004 0.000 0.216 290 G HA3 -0.250 3.707 3.960 -0.004 0.000 0.216 290 G C 1.466 176.386 174.900 0.033 0.000 1.171 290 G CA 1.635 46.778 45.100 0.072 0.000 0.775 290 G HN 0.615 nan 8.290 nan 0.000 0.543 291 T N -1.818 112.769 114.554 0.055 0.000 2.977 291 T HA -0.025 4.323 4.350 -0.004 0.000 0.271 291 T C 2.085 176.805 174.700 0.033 0.000 1.105 291 T CA 1.535 63.666 62.100 0.051 0.000 1.116 291 T CB -0.051 68.855 68.868 0.064 0.000 0.878 291 T HN 0.190 nan 8.240 nan 0.000 0.509 292 M N -0.074 119.532 119.600 0.009 0.000 2.553 292 M HA 0.129 4.607 4.480 -0.004 0.000 0.255 292 M C 2.159 178.371 176.300 -0.146 0.000 1.181 292 M CA 0.981 56.242 55.300 -0.065 0.000 1.210 292 M CB -0.430 32.107 32.600 -0.105 0.000 1.280 292 M HN 0.056 nan 8.290 nan 0.000 0.495 293 Q N 1.313 120.972 119.800 -0.236 0.000 2.133 293 Q HA -0.183 4.154 4.340 -0.004 0.000 0.208 293 Q C 1.746 177.664 176.000 -0.137 0.000 0.991 293 Q CA 1.643 57.270 55.803 -0.294 0.000 0.867 293 Q CB -0.662 27.645 28.738 -0.719 0.000 0.911 293 Q HN 0.571 nan 8.270 nan 0.000 0.417 294 E N -0.009 120.152 120.200 -0.064 0.000 2.338 294 E HA -0.123 4.225 4.350 -0.004 0.000 0.197 294 E C 1.659 178.256 176.600 -0.005 0.000 1.007 294 E CA 0.385 56.790 56.400 0.009 0.000 0.849 294 E CB -0.063 29.668 29.700 0.052 0.000 0.774 294 E HN 0.346 nan 8.360 nan 0.000 0.506 295 R N 0.184 120.667 120.500 -0.027 0.000 2.323 295 R HA 0.139 4.476 4.340 -0.004 0.000 0.198 295 R C 0.610 176.887 176.300 -0.039 0.000 0.988 295 R CA 0.192 56.277 56.100 -0.025 0.000 1.041 295 R CB 0.172 30.455 30.300 -0.028 0.000 0.926 295 R HN 0.041 nan 8.270 nan 0.000 0.476 296 I N 1.732 122.270 120.570 -0.052 0.000 2.337 296 I HA 0.154 4.322 4.170 -0.004 0.000 0.285 296 I C -0.299 175.791 176.117 -0.045 0.000 1.041 296 I CA -0.083 61.179 61.300 -0.062 0.000 1.199 296 I CB 1.307 39.251 38.000 -0.093 0.000 1.370 296 I HN 0.079 nan 8.210 nan 0.000 0.470 297 T N 0.030 114.559 114.554 -0.041 0.000 2.677 297 T HA 0.249 4.596 4.350 -0.004 0.000 0.305 297 T C -0.486 174.189 174.700 -0.040 0.000 1.569 297 T CA -0.893 61.185 62.100 -0.037 0.000 0.984 297 T CB 1.294 70.147 68.868 -0.025 0.000 1.629 297 T HN 0.154 nan 8.240 nan 0.000 0.494 298 T N 2.801 117.329 114.554 -0.043 0.000 2.811 298 T HA 0.580 4.927 4.350 -0.004 0.000 0.309 298 T C 0.744 175.417 174.700 -0.047 0.000 1.005 298 T CA -0.499 61.573 62.100 -0.046 0.000 0.955 298 T CB 0.061 68.900 68.868 -0.048 0.000 0.970 298 T HN 0.923 nan 8.240 nan 0.000 0.496 299 T N 0.690 115.219 114.554 -0.042 0.000 2.852 299 T HA 0.415 4.762 4.350 -0.004 0.000 0.281 299 T C 1.398 176.071 174.700 -0.045 0.000 0.993 299 T CA -0.915 61.159 62.100 -0.044 0.000 0.933 299 T CB 1.169 70.015 68.868 -0.036 0.000 1.187 299 T HN 0.293 nan 8.240 nan 0.000 0.559 300 K N -0.005 120.368 120.400 -0.045 0.000 2.147 300 K HA -0.016 4.301 4.320 -0.004 0.000 0.205 300 K C 2.362 178.940 176.600 -0.036 0.000 1.049 300 K CA 1.179 57.441 56.287 -0.041 0.000 0.936 300 K CB -0.097 32.378 32.500 -0.041 0.000 0.722 300 K HN 0.503 nan 8.250 nan 0.000 0.446 301 K N -0.616 119.762 120.400 -0.037 0.000 2.057 301 K HA -0.020 4.297 4.320 -0.004 0.000 0.206 301 K C 1.151 177.730 176.600 -0.035 0.000 1.050 301 K CA 1.088 57.353 56.287 -0.037 0.000 0.935 301 K CB 0.243 32.717 32.500 -0.044 0.000 0.715 301 K HN 0.277 nan 8.250 nan 0.000 0.439 302 G N -0.578 108.201 108.800 -0.034 0.000 2.512 302 G HA2 0.298 4.256 3.960 -0.004 0.000 0.186 302 G HA3 0.298 4.256 3.960 -0.004 0.000 0.186 302 G C -1.535 173.344 174.900 -0.035 0.000 1.189 302 G CA -0.111 44.970 45.100 -0.031 0.000 0.994 302 G HN 0.164 nan 8.290 nan 0.000 0.506 303 S N -1.131 114.549 115.700 -0.034 0.000 2.543 303 S HA 0.664 5.131 4.470 -0.004 0.000 0.274 303 S C -1.378 173.200 174.600 -0.037 0.000 1.149 303 S CA -0.776 57.399 58.200 -0.041 0.000 0.866 303 S CB 1.335 64.501 63.200 -0.058 0.000 1.111 303 S HN 0.868 nan 8.310 nan 0.000 0.457 304 I N 2.168 122.713 120.570 -0.041 0.000 2.404 304 I HA 0.453 4.620 4.170 -0.004 0.000 0.293 304 I C -0.322 175.747 176.117 -0.080 0.000 0.992 304 I CA -0.498 60.774 61.300 -0.047 0.000 1.149 304 I CB 2.149 40.126 38.000 -0.038 0.000 1.315 304 I HN 0.666 nan 8.210 nan 0.000 0.446 305 T N 4.044 118.534 114.554 -0.107 0.000 2.792 305 T HA 0.263 4.610 4.350 -0.004 0.000 0.280 305 T C -0.322 174.256 174.700 -0.203 0.000 0.990 305 T CA -0.383 61.635 62.100 -0.137 0.000 0.960 305 T CB 1.488 70.286 68.868 -0.117 0.000 0.939 305 T HN 0.499 nan 8.240 nan 0.000 0.439 306 S N 2.412 117.987 115.700 -0.208 0.000 2.449 306 S HA 0.568 5.036 4.470 -0.004 0.000 0.310 306 S C -0.343 174.099 174.600 -0.263 0.000 1.096 306 S CA -0.598 57.453 58.200 -0.249 0.000 1.095 306 S CB 0.554 63.638 63.200 -0.194 0.000 1.007 306 S HN 0.483 nan 8.310 nan 0.000 0.474 307 V N 6.243 125.971 119.914 -0.310 0.000 2.333 307 V HA 0.386 4.503 4.120 -0.004 0.000 0.274 307 V C -0.167 175.946 176.094 0.032 0.000 1.028 307 V CA -0.448 61.779 62.300 -0.122 0.000 0.851 307 V CB 1.124 33.003 31.823 0.093 0.000 1.000 307 V HN 0.815 nan 8.190 nan 0.000 0.456 308 Q N 3.305 123.101 119.800 -0.006 0.000 2.325 308 Q HA 0.674 5.011 4.340 -0.004 0.000 0.262 308 Q C -0.101 175.931 176.000 0.055 0.000 0.968 308 Q CA -0.467 55.338 55.803 0.004 0.000 0.877 308 Q CB 2.136 30.840 28.738 -0.056 0.000 1.253 308 Q HN 0.870 nan 8.270 nan 0.000 0.448 309 A N 4.386 127.250 122.820 0.074 0.000 2.354 309 A HA 0.419 4.736 4.320 -0.004 0.000 0.281 309 A C -0.335 177.286 177.584 0.062 0.000 1.174 309 A CA -0.271 51.819 52.037 0.089 0.000 0.828 309 A CB 0.001 19.066 19.000 0.109 0.000 1.099 309 A HN 0.751 nan 8.150 nan 0.000 0.516 310 I N 2.517 123.078 120.570 -0.014 0.000 2.359 310 I HA 0.239 4.407 4.170 -0.004 0.000 0.294 310 I C -0.653 175.402 176.117 -0.103 0.000 0.987 310 I CA -0.518 60.731 61.300 -0.084 0.000 1.225 310 I CB 1.333 39.135 38.000 -0.330 0.000 1.366 310 I HN 0.728 nan 8.210 nan 0.000 0.466 311 Y N 6.957 127.193 120.300 -0.106 0.000 2.331 311 Y HA 0.544 5.091 4.550 -0.005 0.000 0.338 311 Y C -0.900 174.819 175.900 -0.302 0.000 0.976 311 Y CA -0.814 57.166 58.100 -0.200 0.000 1.137 311 Y CB 1.279 39.628 38.460 -0.185 0.000 1.172 311 Y HN 0.253 nan 8.280 nan 0.000 0.478 312 V N 9.768 129.112 119.914 -0.949 0.000 2.350 312 V HA 0.338 4.455 4.120 -0.004 0.000 0.276 312 V C -2.039 173.464 176.094 -0.984 0.000 1.028 312 V CA -1.924 59.949 62.300 -0.712 0.000 0.860 312 V CB 0.940 32.531 31.823 -0.388 0.000 0.990 312 V HN 0.711 nan 8.190 nan 0.000 0.453 313 P HA 0.159 nan 4.420 nan 0.000 0.271 313 P C 0.469 177.631 177.300 -0.229 0.000 1.216 313 P CA 0.522 63.356 63.100 -0.443 0.000 0.776 313 P CB 1.051 32.680 31.700 -0.119 0.000 0.881 314 A N 2.895 125.631 122.820 -0.140 0.000 2.765 314 A HA -0.263 4.054 4.320 -0.004 0.000 0.286 314 A C 0.904 178.427 177.584 -0.101 0.000 1.457 314 A CA 1.466 53.457 52.037 -0.077 0.000 0.899 314 A CB -2.578 16.405 19.000 -0.029 0.000 0.983 314 A HN 0.600 nan 8.150 nan 0.000 0.584 315 D N -1.638 118.659 120.400 -0.171 0.000 2.983 315 D HA -0.179 4.458 4.640 -0.004 0.000 0.225 315 D C -0.233 176.008 176.300 -0.099 0.000 1.174 315 D CA 1.990 55.909 54.000 -0.135 0.000 0.831 315 D CB -0.914 39.837 40.800 -0.081 0.000 1.104 315 D HN 0.888 nan 8.370 nan 0.000 0.421 316 D N 0.277 120.616 120.400 -0.102 0.000 2.456 316 D HA 0.222 4.859 4.640 -0.004 0.000 0.219 316 D C 1.415 177.667 176.300 -0.080 0.000 1.126 316 D CA -0.399 53.560 54.000 -0.068 0.000 0.890 316 D CB 0.235 41.014 40.800 -0.034 0.000 1.025 316 D HN 0.137 nan 8.370 nan 0.000 0.511 317 L N 2.516 123.683 121.223 -0.093 0.000 2.551 317 L HA -0.054 4.284 4.340 -0.004 0.000 0.228 317 L C 1.988 178.771 176.870 -0.145 0.000 1.153 317 L CA 1.087 55.842 54.840 -0.142 0.000 0.851 317 L CB -0.077 41.871 42.059 -0.185 0.000 0.959 317 L HN 0.458 nan 8.230 nan 0.000 0.451 318 T N -5.075 109.427 114.554 -0.087 0.000 3.145 318 T HA 0.016 4.363 4.350 -0.004 0.000 0.255 318 T C 0.567 175.256 174.700 -0.019 0.000 1.039 318 T CA -0.554 61.508 62.100 -0.063 0.000 0.928 318 T CB -0.241 68.598 68.868 -0.048 0.000 1.029 318 T HN 0.127 nan 8.240 nan 0.000 0.554 319 D N 2.289 122.687 120.400 -0.002 0.000 2.424 319 D HA 0.090 4.728 4.640 -0.004 0.000 0.244 319 D C -1.466 174.859 176.300 0.042 0.000 1.134 319 D CA -1.720 52.319 54.000 0.065 0.000 0.881 319 D CB 1.847 42.709 40.800 0.103 0.000 1.191 319 D HN -0.018 nan 8.370 nan 0.000 0.445 320 P HA -0.204 nan 4.420 nan 0.000 0.217 320 P C 0.870 178.004 177.300 -0.278 0.000 1.151 320 P CA 1.838 64.880 63.100 -0.096 0.000 0.849 320 P CB 0.106 31.776 31.700 -0.050 0.000 0.787 321 A N 0.008 122.592 122.820 -0.393 0.000 1.835 321 A HA -0.118 4.199 4.320 -0.004 0.000 0.215 321 A C -0.018 177.583 177.584 0.028 0.000 1.199 321 A CA 2.267 54.142 52.037 -0.269 0.000 0.615 321 A CB -2.232 16.816 19.000 0.080 0.000 0.838 321 A HN 0.205 nan 8.150 nan 0.000 0.444 322 P HA -0.169 nan 4.420 nan 0.000 0.214 322 P C 1.738 179.155 177.300 0.196 0.000 1.163 322 P CA 2.264 65.471 63.100 0.179 0.000 0.883 322 P CB -0.355 31.400 31.700 0.092 0.000 0.788 323 A N -0.468 122.385 122.820 0.055 0.000 1.903 323 A HA -0.255 4.062 4.320 -0.004 0.000 0.219 323 A C 2.415 180.059 177.584 0.100 0.000 1.191 323 A CA 3.026 55.078 52.037 0.025 0.000 0.638 323 A CB -2.082 16.907 19.000 -0.019 0.000 0.823 323 A HN 0.214 nan 8.150 nan 0.000 0.451 324 T N -0.192 114.405 114.554 0.072 0.000 2.652 324 T HA -0.143 4.205 4.350 -0.004 0.000 0.267 324 T C 2.050 176.866 174.700 0.193 0.000 1.039 324 T CA 2.126 64.281 62.100 0.092 0.000 1.153 324 T CB -0.721 68.171 68.868 0.040 0.000 0.863 324 T HN 0.638 nan 8.240 nan 0.000 0.428 325 T N 1.716 116.403 114.554 0.222 0.000 2.699 325 T HA -0.116 4.232 4.350 -0.004 0.000 0.268 325 T C 1.538 176.400 174.700 0.270 0.000 1.036 325 T CA 1.182 63.435 62.100 0.254 0.000 1.147 325 T CB -0.617 68.377 68.868 0.209 0.000 0.862 325 T HN 0.275 nan 8.240 nan 0.000 0.446 326 F N 1.578 121.584 119.950 0.093 0.000 2.494 326 F HA 0.142 4.666 4.527 -0.005 0.000 0.298 326 F C 2.445 178.264 175.800 0.031 0.000 1.106 326 F CA -0.024 58.022 58.000 0.076 0.000 1.452 326 F CB -0.752 38.287 39.000 0.064 0.000 1.085 326 F HN 0.152 nan 8.300 nan 0.000 0.569 327 A N -0.908 122.002 122.820 0.150 0.000 2.024 327 A HA -0.197 4.120 4.320 -0.004 0.000 0.220 327 A C 1.889 179.338 177.584 -0.225 0.000 1.164 327 A CA 1.718 53.712 52.037 -0.071 0.000 0.643 327 A CB -0.744 18.146 19.000 -0.182 0.000 0.806 327 A HN 0.465 nan 8.150 nan 0.000 0.451 328 H N -1.219 117.868 119.070 0.029 0.000 2.654 328 H HA 0.273 4.826 4.556 -0.005 0.000 0.264 328 H C 0.135 175.433 175.328 -0.049 0.000 0.954 328 H CA -0.095 55.947 56.048 -0.010 0.000 1.199 328 H CB 0.033 29.784 29.762 -0.018 0.000 1.446 328 H HN 0.330 nan 8.280 nan 0.000 0.516 329 L N 2.060 123.292 121.223 0.015 0.000 2.416 329 L HA 0.035 4.372 4.340 -0.004 0.000 0.272 329 L C 0.793 177.623 176.870 -0.067 0.000 1.161 329 L CA 0.163 54.952 54.840 -0.085 0.000 0.845 329 L CB 0.777 42.687 42.059 -0.248 0.000 1.119 329 L HN 0.058 nan 8.230 nan 0.000 0.464 330 D N 1.993 122.345 120.400 -0.080 0.000 2.398 330 D HA 0.350 4.987 4.640 -0.004 0.000 0.210 330 D C 0.262 176.523 176.300 -0.065 0.000 1.094 330 D CA 0.383 54.347 54.000 -0.059 0.000 0.839 330 D CB 1.294 42.061 40.800 -0.055 0.000 0.963 330 D HN 0.616 nan 8.370 nan 0.000 0.506 331 A N 0.298 123.053 122.820 -0.108 0.000 2.581 331 A HA 0.476 4.794 4.320 -0.004 0.000 0.294 331 A C -0.802 176.689 177.584 -0.156 0.000 1.035 331 A CA -0.728 51.247 52.037 -0.103 0.000 0.684 331 A CB 0.997 19.958 19.000 -0.065 0.000 1.282 331 A HN -0.035 nan 8.150 nan 0.000 0.417 332 T N -1.108 113.360 114.554 -0.144 0.000 2.841 332 T HA 0.759 5.107 4.350 -0.004 0.000 0.283 332 T C -0.565 174.062 174.700 -0.122 0.000 1.000 332 T CA -0.487 61.487 62.100 -0.210 0.000 0.977 332 T CB 1.760 70.375 68.868 -0.422 0.000 0.979 332 T HN 0.784 nan 8.240 nan 0.000 0.446 333 T N 2.977 117.497 114.554 -0.057 0.000 2.893 333 T HA 0.435 4.782 4.350 -0.004 0.000 0.324 333 T C -0.199 174.519 174.700 0.029 0.000 1.082 333 T CA -0.487 61.648 62.100 0.058 0.000 0.983 333 T CB 0.400 69.391 68.868 0.205 0.000 1.005 333 T HN 0.656 nan 8.240 nan 0.000 0.475 334 V N 6.081 125.968 119.914 -0.045 0.000 2.339 334 V HA 0.308 4.426 4.120 -0.004 0.000 0.261 334 V C 0.494 176.619 176.094 0.052 0.000 1.058 334 V CA -0.702 61.591 62.300 -0.012 0.000 0.897 334 V CB 0.142 31.907 31.823 -0.097 0.000 1.052 334 V HN 0.735 nan 8.190 nan 0.000 0.480 335 L N 4.118 125.404 121.223 0.105 0.000 2.367 335 L HA 0.368 4.705 4.340 -0.004 0.000 0.275 335 L C 0.618 177.508 176.870 0.035 0.000 1.129 335 L CA 0.495 55.373 54.840 0.063 0.000 0.839 335 L CB 1.359 43.468 42.059 0.085 0.000 1.133 335 L HN 0.707 nan 8.230 nan 0.000 0.453 336 S N 3.262 118.952 115.700 -0.016 0.000 2.519 336 S HA 0.340 4.807 4.470 -0.004 0.000 0.309 336 S C 0.852 175.418 174.600 -0.058 0.000 1.100 336 S CA -0.766 57.420 58.200 -0.023 0.000 1.059 336 S CB 1.493 64.677 63.200 -0.027 0.000 1.008 336 S HN 0.673 nan 8.310 nan 0.000 0.478 337 R N 2.736 123.217 120.500 -0.032 0.000 2.120 337 R HA -0.073 4.264 4.340 -0.004 0.000 0.234 337 R C 2.266 178.540 176.300 -0.043 0.000 1.123 337 R CA 1.533 57.612 56.100 -0.036 0.000 0.975 337 R CB -0.405 29.893 30.300 -0.005 0.000 0.866 337 R HN 0.782 nan 8.270 nan 0.000 0.446 338 A N 1.242 124.042 122.820 -0.034 0.000 1.873 338 A HA -0.135 4.183 4.320 -0.004 0.000 0.215 338 A C 2.003 179.562 177.584 -0.042 0.000 1.186 338 A CA 1.014 53.033 52.037 -0.029 0.000 0.616 338 A CB -0.310 18.677 19.000 -0.023 0.000 0.823 338 A HN 0.088 nan 8.150 nan 0.000 0.442 339 I N 0.177 120.710 120.570 -0.062 0.000 2.163 339 I HA -0.272 3.896 4.170 -0.004 0.000 0.243 339 I C 2.994 179.034 176.117 -0.127 0.000 1.085 339 I CA 1.507 62.762 61.300 -0.075 0.000 1.347 339 I CB -1.648 36.299 38.000 -0.088 0.000 1.044 339 I HN 0.375 nan 8.210 nan 0.000 0.408 340 A N 0.470 123.153 122.820 -0.228 0.000 1.892 340 A HA -0.259 4.058 4.320 -0.004 0.000 0.218 340 A C 2.231 179.768 177.584 -0.077 0.000 1.188 340 A CA 1.924 53.737 52.037 -0.373 0.000 0.631 340 A CB -0.841 17.925 19.000 -0.390 0.000 0.822 340 A HN 0.494 nan 8.150 nan 0.000 0.447 341 E N -0.491 119.691 120.200 -0.030 0.000 2.331 341 E HA -0.120 4.227 4.350 -0.004 0.000 0.199 341 E C 1.404 178.023 176.600 0.032 0.000 1.008 341 E CA 0.684 57.096 56.400 0.020 0.000 0.843 341 E CB -0.237 29.468 29.700 0.008 0.000 0.761 341 E HN 0.671 nan 8.360 nan 0.000 0.507 342 L N -0.921 120.317 121.223 0.024 0.000 2.599 342 L HA 0.101 4.439 4.340 -0.004 0.000 0.230 342 L C 1.640 178.561 176.870 0.085 0.000 1.141 342 L CA 0.477 55.343 54.840 0.043 0.000 0.877 342 L CB -0.083 42.006 42.059 0.049 0.000 1.009 342 L HN 0.310 nan 8.230 nan 0.000 0.447 343 G N 0.667 109.551 108.800 0.140 0.000 2.253 343 G HA2 -0.297 3.660 3.960 -0.004 0.000 0.251 343 G HA3 -0.297 3.660 3.960 -0.004 0.000 0.251 343 G C 0.442 175.608 174.900 0.444 0.000 0.998 343 G CA -0.188 45.087 45.100 0.290 0.000 0.621 343 G HN 0.270 nan 8.290 nan 0.000 0.524 344 I N 0.905 121.630 120.570 0.258 0.000 2.741 344 I HA 0.286 4.453 4.170 -0.004 0.000 0.288 344 I C 0.107 176.245 176.117 0.034 0.000 1.192 344 I CA 0.614 62.032 61.300 0.197 0.000 1.426 344 I CB -0.002 38.062 38.000 0.106 0.000 1.367 344 I HN 0.167 nan 8.210 nan 0.000 0.563 345 Y N 6.647 126.917 120.300 -0.049 0.000 2.482 345 Y HA 0.298 4.845 4.550 -0.005 0.000 0.334 345 Y C -2.306 173.435 175.900 -0.265 0.000 1.091 345 Y CA -2.268 55.738 58.100 -0.158 0.000 1.027 345 Y CB 1.915 40.252 38.460 -0.206 0.000 1.306 345 Y HN 0.410 nan 8.280 nan 0.000 0.446 346 P HA 0.047 nan 4.420 nan 0.000 0.265 346 P C -0.071 177.170 177.300 -0.099 0.000 1.193 346 P CA 0.141 63.187 63.100 -0.091 0.000 0.765 346 P CB 0.842 32.559 31.700 0.027 0.000 0.823 347 A N 3.646 126.325 122.820 -0.233 0.000 2.223 347 A HA 0.115 4.433 4.320 -0.004 0.000 0.222 347 A C 0.686 178.200 177.584 -0.116 0.000 1.317 347 A CA -0.080 51.784 52.037 -0.287 0.000 0.985 347 A CB -1.036 17.671 19.000 -0.488 0.000 0.858 347 A HN 0.408 nan 8.150 nan 0.000 0.496 348 V N 1.069 120.957 119.914 -0.044 0.000 2.740 348 V HA 0.021 4.138 4.120 -0.004 0.000 0.303 348 V C 0.358 176.440 176.094 -0.021 0.000 1.054 348 V CA -0.144 62.153 62.300 -0.004 0.000 1.106 348 V CB 1.128 32.968 31.823 0.028 0.000 0.957 348 V HN 0.552 nan 8.190 nan 0.000 0.486 349 D N 6.846 127.234 120.400 -0.019 0.000 2.347 349 D HA 0.246 4.883 4.640 -0.004 0.000 0.235 349 D C -1.351 174.931 176.300 -0.029 0.000 1.149 349 D CA -2.196 51.789 54.000 -0.025 0.000 0.850 349 D CB 1.817 42.601 40.800 -0.026 0.000 1.061 349 D HN 0.242 nan 8.370 nan 0.000 0.487 350 P HA -0.058 nan 4.420 nan 0.000 0.230 350 P C 1.138 178.413 177.300 -0.043 0.000 1.158 350 P CA 0.684 63.759 63.100 -0.043 0.000 0.769 350 P CB 0.522 32.196 31.700 -0.044 0.000 0.807 351 L N -1.687 119.515 121.223 -0.034 0.000 2.642 351 L HA 0.206 4.543 4.340 -0.004 0.000 0.233 351 L C 1.653 178.501 176.870 -0.037 0.000 1.077 351 L CA 0.450 55.270 54.840 -0.033 0.000 0.879 351 L CB -0.213 41.831 42.059 -0.025 0.000 1.151 351 L HN -0.204 nan 8.230 nan 0.000 0.495 352 D N -0.371 120.003 120.400 -0.042 0.000 2.301 352 D HA 0.035 4.673 4.640 -0.004 0.000 0.206 352 D C 0.732 176.980 176.300 -0.087 0.000 0.979 352 D CA 0.376 54.342 54.000 -0.057 0.000 0.874 352 D CB 0.406 41.175 40.800 -0.052 0.000 0.968 352 D HN -0.014 nan 8.370 nan 0.000 0.510 353 S N 0.065 115.718 115.700 -0.077 0.000 2.564 353 S HA 0.406 4.874 4.470 -0.004 0.000 0.278 353 S C 0.499 175.060 174.600 -0.065 0.000 1.333 353 S CA -0.255 57.892 58.200 -0.088 0.000 1.048 353 S CB 1.123 64.298 63.200 -0.042 0.000 0.900 353 S HN 0.335 nan 8.310 nan 0.000 0.505 354 T N -1.013 113.497 114.554 -0.073 0.000 2.838 354 T HA 0.792 5.139 4.350 -0.004 0.000 0.292 354 T C -0.687 174.002 174.700 -0.018 0.000 1.113 354 T CA -0.838 61.240 62.100 -0.036 0.000 1.008 354 T CB 1.893 70.742 68.868 -0.031 0.000 1.259 354 T HN 0.472 nan 8.240 nan 0.000 0.520 355 S N -1.387 114.312 115.700 -0.002 0.000 2.543 355 S HA 0.419 4.886 4.470 -0.004 0.000 0.271 355 S C 0.577 175.180 174.600 0.004 0.000 1.148 355 S CA -0.787 57.415 58.200 0.004 0.000 0.914 355 S CB 1.766 64.981 63.200 0.024 0.000 1.096 355 S HN 0.790 nan 8.310 nan 0.000 0.471 356 R N 2.077 122.575 120.500 -0.004 0.000 2.092 356 R HA 0.064 4.402 4.340 -0.004 0.000 0.231 356 R C 1.817 178.111 176.300 -0.010 0.000 1.119 356 R CA 1.791 57.889 56.100 -0.004 0.000 0.970 356 R CB -0.419 29.875 30.300 -0.009 0.000 0.864 356 R HN 0.816 nan 8.270 nan 0.000 0.440 357 I N -1.796 118.765 120.570 -0.014 0.000 3.605 357 I HA 0.049 4.216 4.170 -0.004 0.000 0.301 357 I C 0.515 176.607 176.117 -0.042 0.000 1.267 357 I CA 0.348 61.631 61.300 -0.028 0.000 1.236 357 I CB -0.007 37.979 38.000 -0.024 0.000 1.010 357 I HN 0.005 nan 8.210 nan 0.000 0.491 358 M N 3.008 122.601 119.600 -0.012 0.000 3.422 358 M HA 0.231 4.709 4.480 -0.004 0.000 0.248 358 M C -0.999 175.349 176.300 0.081 0.000 1.433 358 M CA 0.484 55.803 55.300 0.033 0.000 1.592 358 M CB -1.013 31.623 32.600 0.061 0.000 1.078 358 M HN 0.253 nan 8.290 nan 0.000 0.578 359 D N 2.455 122.817 120.400 -0.063 0.000 2.757 359 D HA 0.401 5.038 4.640 -0.004 0.000 0.249 359 D C -1.837 174.291 176.300 -0.287 0.000 1.168 359 D CA -1.570 52.278 54.000 -0.254 0.000 0.870 359 D CB 2.369 43.073 40.800 -0.160 0.000 1.411 359 D HN 0.075 nan 8.370 nan 0.000 0.525 360 P HA -0.163 nan 4.420 nan 0.000 0.217 360 P C 0.409 177.622 177.300 -0.146 0.000 1.148 360 P CA 1.072 64.004 63.100 -0.279 0.000 0.828 360 P CB 0.228 31.714 31.700 -0.357 0.000 0.783 361 N N -1.128 117.470 118.700 -0.169 0.000 2.571 361 N HA 0.028 4.766 4.740 -0.004 0.000 0.189 361 N C 1.515 176.983 175.510 -0.070 0.000 1.154 361 N CA 0.552 53.543 53.050 -0.098 0.000 0.907 361 N CB -0.213 38.216 38.487 -0.096 0.000 0.977 361 N HN 0.271 nan 8.380 nan 0.000 0.449 362 I N -2.066 118.458 120.570 -0.076 0.000 4.578 362 I HA 0.000 4.168 4.170 -0.004 0.000 0.312 362 I C 1.206 177.302 176.117 -0.033 0.000 1.224 362 I CA 0.203 61.473 61.300 -0.050 0.000 1.318 362 I CB 0.427 38.394 38.000 -0.055 0.000 1.388 362 I HN -0.041 nan 8.210 nan 0.000 0.461 363 V N -1.084 118.800 119.914 -0.051 0.000 3.660 363 V HA 0.603 4.720 4.120 -0.004 0.000 0.276 363 V C 0.860 176.998 176.094 0.073 0.000 1.317 363 V CA 0.168 62.447 62.300 -0.036 0.000 1.097 363 V CB -0.623 31.020 31.823 -0.301 0.000 0.863 363 V HN 0.449 nan 8.190 nan 0.000 0.438 364 G N 0.973 109.802 108.800 0.048 0.000 2.879 364 G HA2 -0.140 3.817 3.960 -0.004 0.000 0.686 364 G HA3 -0.140 3.817 3.960 -0.004 0.000 0.686 364 G C 0.485 175.467 174.900 0.136 0.000 1.115 364 G CA 0.498 45.645 45.100 0.078 0.000 0.770 364 G HN 1.213 nan 8.290 nan 0.000 0.601 365 S N 0.438 116.205 115.700 0.111 0.000 2.381 365 S HA -0.257 4.211 4.470 -0.004 0.000 0.230 365 S C 1.898 176.612 174.600 0.190 0.000 1.052 365 S CA 2.494 60.789 58.200 0.159 0.000 1.068 365 S CB -0.296 62.962 63.200 0.098 0.000 0.918 365 S HN 0.993 nan 8.310 nan 0.000 0.448 366 E N 0.081 120.369 120.200 0.148 0.000 2.005 366 E HA -0.299 4.048 4.350 -0.004 0.000 0.198 366 E C 2.042 178.751 176.600 0.182 0.000 1.010 366 E CA 1.660 58.139 56.400 0.132 0.000 0.825 366 E CB -0.708 29.052 29.700 0.100 0.000 0.769 366 E HN 0.880 nan 8.360 nan 0.000 0.456 367 H N -1.391 117.729 119.070 0.083 0.000 2.292 367 H HA -0.268 4.286 4.556 -0.004 0.000 0.292 367 H C 2.262 177.635 175.328 0.075 0.000 1.100 367 H CA 2.090 58.181 56.048 0.073 0.000 1.238 367 H CB -0.286 29.522 29.762 0.076 0.000 1.355 367 H HN 0.316 nan 8.280 nan 0.000 0.484 368 Y N 1.548 121.938 120.300 0.150 0.000 2.165 368 Y HA -0.250 4.298 4.550 -0.004 0.000 0.286 368 Y C 2.020 177.955 175.900 0.059 0.000 1.155 368 Y CA 1.996 60.120 58.100 0.040 0.000 1.164 368 Y CB -0.289 38.169 38.460 -0.003 0.000 0.978 368 Y HN 0.369 nan 8.280 nan 0.000 0.513 369 D N -0.846 119.577 120.400 0.038 0.000 2.149 369 D HA -0.142 4.496 4.640 -0.004 0.000 0.201 369 D C 2.428 178.692 176.300 -0.061 0.000 0.972 369 D CA 1.408 55.377 54.000 -0.051 0.000 0.835 369 D CB -0.379 40.454 40.800 0.056 0.000 0.966 369 D HN 0.312 nan 8.370 nan 0.000 0.476 370 V N 1.815 121.735 119.914 0.010 0.000 2.261 370 V HA -0.260 3.857 4.120 -0.004 0.000 0.246 370 V C 2.629 178.703 176.094 -0.033 0.000 1.047 370 V CA 1.910 64.223 62.300 0.022 0.000 1.015 370 V CB -0.937 30.922 31.823 0.060 0.000 0.642 370 V HN 0.169 nan 8.190 nan 0.000 0.446 371 A N 0.199 122.993 122.820 -0.043 0.000 1.873 371 A HA -0.259 4.058 4.320 -0.004 0.000 0.218 371 A C 2.255 179.741 177.584 -0.164 0.000 1.193 371 A CA 1.947 53.925 52.037 -0.099 0.000 0.629 371 A CB -0.565 18.405 19.000 -0.049 0.000 0.826 371 A HN 0.426 nan 8.150 nan 0.000 0.447 372 R N -0.430 119.906 120.500 -0.273 0.000 2.237 372 R HA -0.073 4.264 4.340 -0.004 0.000 0.219 372 R C 2.098 178.316 176.300 -0.136 0.000 1.080 372 R CA 1.004 56.946 56.100 -0.264 0.000 0.995 372 R CB -1.119 28.921 30.300 -0.433 0.000 0.875 372 R HN 0.586 nan 8.270 nan 0.000 0.462 373 G N -0.014 108.730 108.800 -0.094 0.000 2.411 373 G HA2 -0.104 3.853 3.960 -0.004 0.000 0.213 373 G HA3 -0.104 3.853 3.960 -0.004 0.000 0.213 373 G C 1.509 176.400 174.900 -0.015 0.000 1.166 373 G CA 0.199 45.278 45.100 -0.035 0.000 0.802 373 G HN 0.106 nan 8.290 nan 0.000 0.533 374 V N 0.910 120.809 119.914 -0.025 0.000 2.287 374 V HA -0.284 3.833 4.120 -0.004 0.000 0.248 374 V C 2.898 178.978 176.094 -0.024 0.000 1.053 374 V CA 2.303 64.591 62.300 -0.019 0.000 1.027 374 V CB -0.727 31.019 31.823 -0.129 0.000 0.646 374 V HN 0.406 nan 8.190 nan 0.000 0.447 375 Q N -0.184 119.584 119.800 -0.054 0.000 2.046 375 Q HA -0.246 4.091 4.340 -0.004 0.000 0.200 375 Q C 2.368 178.359 176.000 -0.014 0.000 0.975 375 Q CA 1.824 57.604 55.803 -0.039 0.000 0.836 375 Q CB -0.250 28.452 28.738 -0.059 0.000 0.896 375 Q HN 0.616 nan 8.270 nan 0.000 0.428 376 K N 0.792 121.180 120.400 -0.019 0.000 2.009 376 K HA -0.215 4.103 4.320 -0.004 0.000 0.210 376 K C 1.989 178.602 176.600 0.021 0.000 1.049 376 K CA 1.248 57.533 56.287 -0.003 0.000 0.929 376 K CB -0.213 32.283 32.500 -0.008 0.000 0.714 376 K HN 0.062 nan 8.250 nan 0.000 0.440 377 I N 1.434 122.020 120.570 0.027 0.000 2.151 377 I HA -0.277 3.890 4.170 -0.004 0.000 0.243 377 I C 1.876 178.047 176.117 0.090 0.000 1.080 377 I CA 1.452 62.781 61.300 0.049 0.000 1.339 377 I CB -0.142 37.881 38.000 0.038 0.000 1.039 377 I HN 0.262 nan 8.210 nan 0.000 0.409 378 L N -0.654 120.618 121.223 0.081 0.000 2.131 378 L HA -0.260 4.077 4.340 -0.004 0.000 0.210 378 L C 2.475 179.399 176.870 0.089 0.000 1.092 378 L CA 1.322 56.232 54.840 0.117 0.000 0.759 378 L CB -0.567 41.533 42.059 0.069 0.000 0.903 378 L HN 0.392 nan 8.230 nan 0.000 0.435 379 Q N -0.393 119.436 119.800 0.048 0.000 2.020 379 Q HA -0.173 4.165 4.340 -0.004 0.000 0.198 379 Q C 1.883 177.902 176.000 0.032 0.000 0.974 379 Q CA 1.410 57.226 55.803 0.021 0.000 0.829 379 Q CB 0.050 28.793 28.738 0.008 0.000 0.894 379 Q HN 0.453 nan 8.270 nan 0.000 0.433 380 D N 0.037 120.470 120.400 0.056 0.000 2.116 380 D HA -0.214 4.423 4.640 -0.004 0.000 0.193 380 D C 1.748 178.112 176.300 0.108 0.000 0.998 380 D CA 1.201 55.240 54.000 0.065 0.000 0.836 380 D CB -0.429 40.410 40.800 0.065 0.000 0.951 380 D HN 0.240 nan 8.370 nan 0.000 0.449 381 Y N 2.117 122.416 120.300 -0.000 0.000 2.151 381 Y HA -0.226 4.321 4.550 -0.005 0.000 0.284 381 Y C 2.199 178.100 175.900 0.001 0.000 1.166 381 Y CA 1.468 59.569 58.100 0.001 0.000 1.163 381 Y CB -0.362 38.100 38.460 0.003 0.000 0.974 381 Y HN -0.157 nan 8.280 nan 0.000 0.511 382 K N -0.293 120.014 120.400 -0.155 0.000 2.074 382 K HA -0.204 4.114 4.320 -0.004 0.000 0.209 382 K C 2.284 178.791 176.600 -0.155 0.000 1.048 382 K CA 1.775 57.918 56.287 -0.240 0.000 0.926 382 K CB -0.229 32.196 32.500 -0.124 0.000 0.713 382 K HN 0.352 nan 8.250 nan 0.000 0.444 383 S N 1.323 116.984 115.700 -0.065 0.000 2.365 383 S HA -0.168 4.300 4.470 -0.004 0.000 0.221 383 S C 1.878 176.458 174.600 -0.033 0.000 1.037 383 S CA 1.505 59.684 58.200 -0.035 0.000 1.060 383 S CB -0.394 62.805 63.200 -0.003 0.000 0.974 383 S HN 0.263 nan 8.310 nan 0.000 0.427 384 L N 1.482 122.705 121.223 -0.000 0.000 2.129 384 L HA -0.215 4.123 4.340 -0.004 0.000 0.212 384 L C 2.776 179.643 176.870 -0.005 0.000 1.087 384 L CA 1.195 56.053 54.840 0.029 0.000 0.757 384 L CB -0.690 41.436 42.059 0.111 0.000 0.896 384 L HN 0.416 nan 8.230 nan 0.000 0.434 385 Q N 0.112 119.851 119.800 -0.103 0.000 2.156 385 Q HA -0.287 4.050 4.340 -0.004 0.000 0.211 385 Q C 1.763 177.723 176.000 -0.066 0.000 0.995 385 Q CA 2.136 57.853 55.803 -0.144 0.000 0.877 385 Q CB -0.042 28.523 28.738 -0.288 0.000 0.920 385 Q HN 0.528 nan 8.270 nan 0.000 0.416 386 D N -0.233 120.134 120.400 -0.055 0.000 2.097 386 D HA -0.122 4.516 4.640 -0.004 0.000 0.197 386 D C 1.770 178.062 176.300 -0.013 0.000 0.984 386 D CA 0.794 54.775 54.000 -0.033 0.000 0.826 386 D CB -0.138 40.644 40.800 -0.030 0.000 0.973 386 D HN 0.174 nan 8.370 nan 0.000 0.460 387 I N 0.952 121.519 120.570 -0.005 0.000 2.113 387 I HA -0.253 3.915 4.170 -0.004 0.000 0.238 387 I C 2.117 178.242 176.117 0.013 0.000 1.070 387 I CA 0.625 61.929 61.300 0.007 0.000 1.332 387 I CB -0.263 37.745 38.000 0.013 0.000 1.044 387 I HN -0.029 nan 8.210 nan 0.000 0.402 388 I N 0.894 121.478 120.570 0.024 0.000 2.103 388 I HA -0.406 3.762 4.170 -0.004 0.000 0.241 388 I C 2.652 178.782 176.117 0.023 0.000 1.036 388 I CA 2.123 63.443 61.300 0.034 0.000 1.300 388 I CB -2.018 36.017 38.000 0.058 0.000 1.010 388 I HN 0.286 nan 8.210 nan 0.000 0.406 389 A N 0.174 123.002 122.820 0.014 0.000 1.933 389 A HA -0.131 4.187 4.320 -0.004 0.000 0.218 389 A C 2.208 179.796 177.584 0.007 0.000 1.175 389 A CA 1.363 53.405 52.037 0.009 0.000 0.628 389 A CB -0.364 18.636 19.000 0.000 0.000 0.814 389 A HN 0.331 nan 8.150 nan 0.000 0.444 390 I N -0.311 120.262 120.570 0.005 0.000 2.490 390 I HA -0.027 4.141 4.170 -0.004 0.000 0.234 390 I C 2.056 178.177 176.117 0.006 0.000 1.066 390 I CA 0.872 62.174 61.300 0.004 0.000 1.405 390 I CB -1.612 36.389 38.000 0.001 0.000 1.191 390 I HN 0.245 nan 8.210 nan 0.000 0.433 391 L N 1.008 122.236 121.223 0.007 0.000 2.650 391 L HA 0.313 4.650 4.340 -0.004 0.000 0.235 391 L C 0.796 177.673 176.870 0.011 0.000 1.149 391 L CA 0.153 54.998 54.840 0.008 0.000 0.887 391 L CB -1.413 40.651 42.059 0.008 0.000 1.021 391 L HN 0.463 nan 8.230 nan 0.000 0.441 392 G N 0.407 109.215 108.800 0.013 0.000 2.778 392 G HA2 -0.275 3.682 3.960 -0.004 0.000 0.686 392 G HA3 -0.275 3.682 3.960 -0.004 0.000 0.686 392 G C 0.087 174.999 174.900 0.020 0.000 1.309 392 G CA -0.485 44.624 45.100 0.016 0.000 0.904 392 G HN 0.127 nan 8.290 nan 0.000 0.593 393 M N 0.845 120.459 119.600 0.024 0.000 2.873 393 M HA -0.049 4.428 4.480 -0.004 0.000 0.208 393 M C 0.865 177.179 176.300 0.024 0.000 0.965 393 M CA 1.241 56.558 55.300 0.029 0.000 1.103 393 M CB -0.332 32.287 32.600 0.031 0.000 1.620 393 M HN 0.587 nan 8.290 nan 0.000 0.534 394 D N -1.126 119.286 120.400 0.019 0.000 2.486 394 D HA 0.007 4.644 4.640 -0.004 0.000 0.243 394 D C 1.186 177.494 176.300 0.015 0.000 1.146 394 D CA 0.065 54.075 54.000 0.016 0.000 0.821 394 D CB 0.396 41.203 40.800 0.013 0.000 1.201 394 D HN 0.298 nan 8.370 nan 0.000 0.525 395 E N 0.942 121.151 120.200 0.015 0.000 2.515 395 E HA -0.015 4.333 4.350 -0.004 0.000 0.201 395 E C 0.442 177.051 176.600 0.014 0.000 1.071 395 E CA 0.018 56.426 56.400 0.013 0.000 0.880 395 E CB 0.064 29.771 29.700 0.012 0.000 0.828 395 E HN 0.378 nan 8.360 nan 0.000 0.540 396 L N 2.481 123.714 121.223 0.017 0.000 2.628 396 L HA -0.064 4.274 4.340 -0.004 0.000 0.274 396 L C 0.973 177.852 176.870 0.015 0.000 1.209 396 L CA 0.075 54.926 54.840 0.019 0.000 0.930 396 L CB -0.028 42.045 42.059 0.023 0.000 1.183 396 L HN 0.027 nan 8.230 nan 0.000 0.492 397 S N 1.674 117.383 115.700 0.014 0.000 2.603 397 S HA 0.113 4.581 4.470 -0.004 0.000 0.268 397 S C 0.899 175.504 174.600 0.009 0.000 1.317 397 S CA -0.810 57.397 58.200 0.011 0.000 1.012 397 S CB 1.344 64.550 63.200 0.011 0.000 0.926 397 S HN 0.674 nan 8.310 nan 0.000 0.539 398 E N 0.746 120.951 120.200 0.008 0.000 2.284 398 E HA -0.226 4.122 4.350 -0.004 0.000 0.200 398 E C 1.640 178.243 176.600 0.005 0.000 1.008 398 E CA 1.662 58.065 56.400 0.006 0.000 0.829 398 E CB -0.037 29.666 29.700 0.005 0.000 0.744 398 E HN 0.758 nan 8.360 nan 0.000 0.491 399 E N 0.134 120.338 120.200 0.006 0.000 2.057 399 E HA -0.093 4.255 4.350 -0.004 0.000 0.190 399 E C 1.609 178.214 176.600 0.008 0.000 0.969 399 E CA 0.347 56.751 56.400 0.006 0.000 0.812 399 E CB 0.161 29.866 29.700 0.008 0.000 0.777 399 E HN 0.105 nan 8.360 nan 0.000 0.455 400 D N 0.921 121.329 120.400 0.013 0.000 2.263 400 D HA -0.100 4.538 4.640 -0.004 0.000 0.208 400 D C 1.377 177.687 176.300 0.016 0.000 0.971 400 D CA 0.953 54.965 54.000 0.020 0.000 0.867 400 D CB 0.116 40.931 40.800 0.025 0.000 0.929 400 D HN 0.100 nan 8.370 nan 0.000 0.492 401 K N -0.390 120.014 120.400 0.007 0.000 2.361 401 K HA 0.023 4.341 4.320 -0.004 0.000 0.196 401 K C 1.633 178.223 176.600 -0.017 0.000 1.039 401 K CA 0.017 56.304 56.287 -0.001 0.000 1.001 401 K CB 0.541 33.043 32.500 0.003 0.000 0.795 401 K HN 0.031 nan 8.250 nan 0.000 0.495 402 L N 1.051 122.265 121.223 -0.015 0.000 2.202 402 L HA -0.081 4.256 4.340 -0.004 0.000 0.205 402 L C 2.557 179.403 176.870 -0.040 0.000 1.083 402 L CA 1.617 56.443 54.840 -0.024 0.000 0.790 402 L CB -0.558 41.493 42.059 -0.013 0.000 0.942 402 L HN 0.242 nan 8.230 nan 0.000 0.452 403 T N -3.773 110.766 114.554 -0.025 0.000 2.788 403 T HA -0.158 4.189 4.350 -0.004 0.000 0.268 403 T C 1.819 176.468 174.700 -0.085 0.000 1.044 403 T CA 1.627 63.712 62.100 -0.025 0.000 1.139 403 T CB -0.918 67.960 68.868 0.015 0.000 0.867 403 T HN 0.065 nan 8.240 nan 0.000 0.454 404 V N 2.852 122.705 119.914 -0.101 0.000 2.229 404 V HA -0.184 3.934 4.120 -0.004 0.000 0.243 404 V C 3.216 179.120 176.094 -0.316 0.000 1.042 404 V CA 2.104 64.244 62.300 -0.265 0.000 1.000 404 V CB -1.446 30.294 31.823 -0.139 0.000 0.637 404 V HN 0.791 nan 8.190 nan 0.000 0.446 405 S N 1.566 117.163 115.700 -0.172 0.000 2.389 405 S HA -0.381 4.087 4.470 -0.004 0.000 0.229 405 S C 2.045 176.548 174.600 -0.161 0.000 1.048 405 S CA 2.330 60.449 58.200 -0.135 0.000 1.117 405 S CB -0.772 62.386 63.200 -0.069 0.000 1.020 405 S HN 0.589 nan 8.310 nan 0.000 0.430 406 R N 2.000 122.416 120.500 -0.140 0.000 2.080 406 R HA 0.005 4.343 4.340 -0.004 0.000 0.236 406 R C 2.919 179.121 176.300 -0.163 0.000 1.137 406 R CA 1.371 57.385 56.100 -0.144 0.000 0.943 406 R CB -1.152 29.096 30.300 -0.087 0.000 0.846 406 R HN 0.606 nan 8.270 nan 0.000 0.431 407 A N 1.838 124.552 122.820 -0.177 0.000 1.927 407 A HA -0.229 4.088 4.320 -0.004 0.000 0.220 407 A C 2.125 179.592 177.584 -0.196 0.000 1.185 407 A CA 1.665 53.601 52.037 -0.168 0.000 0.639 407 A CB -0.508 18.324 19.000 -0.279 0.000 0.820 407 A HN 0.293 nan 8.150 nan 0.000 0.451 408 R N -0.485 119.814 120.500 -0.335 0.000 2.148 408 R HA -0.052 4.285 4.340 -0.004 0.000 0.227 408 R C 2.032 178.264 176.300 -0.113 0.000 1.103 408 R CA 1.328 57.299 56.100 -0.215 0.000 0.983 408 R CB -0.264 29.899 30.300 -0.228 0.000 0.874 408 R HN 0.533 nan 8.270 nan 0.000 0.451 409 K N 0.744 121.024 120.400 -0.201 0.000 2.076 409 K HA 0.019 4.337 4.320 -0.004 0.000 0.204 409 K C 2.140 178.530 176.600 -0.349 0.000 1.051 409 K CA 0.875 56.918 56.287 -0.406 0.000 0.949 409 K CB -0.028 32.049 32.500 -0.706 0.000 0.726 409 K HN 0.081 nan 8.250 nan 0.000 0.443 410 I N 1.388 121.859 120.570 -0.164 0.000 2.099 410 I HA -0.355 3.812 4.170 -0.004 0.000 0.239 410 I C 2.708 178.955 176.117 0.215 0.000 1.066 410 I CA 1.428 62.791 61.300 0.106 0.000 1.324 410 I CB -0.307 37.789 38.000 0.161 0.000 1.037 410 I HN 0.278 nan 8.210 nan 0.000 0.401 411 Q N 0.545 120.424 119.800 0.132 0.000 2.156 411 Q HA -0.265 4.072 4.340 -0.004 0.000 0.211 411 Q C 2.394 178.506 176.000 0.186 0.000 0.995 411 Q CA 1.916 57.811 55.803 0.153 0.000 0.877 411 Q CB 0.018 28.842 28.738 0.143 0.000 0.920 411 Q HN 0.437 nan 8.270 nan 0.000 0.416 412 R N -0.869 119.744 120.500 0.189 0.000 2.062 412 R HA -0.101 4.237 4.340 -0.004 0.000 0.229 412 R C 2.159 178.646 176.300 0.312 0.000 1.128 412 R CA 0.979 57.246 56.100 0.278 0.000 0.960 412 R CB -0.646 29.843 30.300 0.316 0.000 0.855 412 R HN 0.263 nan 8.270 nan 0.000 0.432 413 F N 2.065 122.051 119.950 0.060 0.000 2.307 413 F HA -0.067 4.457 4.527 -0.004 0.000 0.301 413 F C 1.771 177.701 175.800 0.217 0.000 1.076 413 F CA 0.899 58.893 58.000 -0.010 0.000 1.383 413 F CB -0.233 38.498 39.000 -0.448 0.000 1.055 413 F HN -0.089 nan 8.300 nan 0.000 0.526 414 L N -0.386 121.025 121.223 0.314 0.000 2.552 414 L HA -0.009 4.328 4.340 -0.004 0.000 0.227 414 L C 1.353 178.273 176.870 0.084 0.000 1.146 414 L CA 0.317 55.286 54.840 0.215 0.000 0.858 414 L CB -0.637 41.509 42.059 0.145 0.000 0.969 414 L HN 0.121 nan 8.230 nan 0.000 0.451 415 S N -0.686 115.068 115.700 0.089 0.000 2.669 415 S HA 0.524 4.991 4.470 -0.004 0.000 0.270 415 S C -0.393 174.190 174.600 -0.030 0.000 1.225 415 S CA -0.547 57.666 58.200 0.023 0.000 0.991 415 S CB 2.134 65.343 63.200 0.015 0.000 0.987 415 S HN 0.237 nan 8.310 nan 0.000 0.552 416 Q N -0.161 119.586 119.800 -0.088 0.000 2.617 416 Q HA 0.323 4.660 4.340 -0.004 0.000 0.270 416 Q C -3.272 172.666 176.000 -0.103 0.000 0.967 416 Q CA -1.553 54.218 55.803 -0.053 0.000 0.887 416 Q CB 2.001 30.772 28.738 0.055 0.000 1.516 416 Q HN 0.546 nan 8.270 nan 0.000 0.395 417 P HA 0.246 nan 4.420 nan 0.000 0.282 417 P C -1.056 176.374 177.300 0.218 0.000 1.262 417 P CA -0.039 63.058 63.100 -0.004 0.000 0.773 417 P CB 0.155 31.869 31.700 0.024 0.000 0.879 418 F N 1.976 121.920 119.950 -0.009 0.000 2.399 418 F HA 0.273 4.797 4.527 -0.004 0.000 0.334 418 F C 1.947 177.760 175.800 0.022 0.000 1.097 418 F CA -0.885 57.119 58.000 0.006 0.000 1.076 418 F CB 1.087 40.091 39.000 0.006 0.000 1.162 418 F HN 0.335 nan 8.300 nan 0.000 0.495 419 Q N 1.283 121.193 119.800 0.183 0.000 2.291 419 Q HA -0.067 4.271 4.340 -0.004 0.000 0.205 419 Q C 1.927 178.002 176.000 0.125 0.000 0.970 419 Q CA 0.777 56.647 55.803 0.112 0.000 0.876 419 Q CB -0.065 28.704 28.738 0.052 0.000 0.935 419 Q HN 0.536 nan 8.270 nan 0.000 0.455 420 V N 0.490 120.490 119.914 0.143 0.000 2.515 420 V HA -0.140 3.977 4.120 -0.004 0.000 0.250 420 V C 1.198 177.400 176.094 0.180 0.000 1.058 420 V CA 1.418 63.800 62.300 0.136 0.000 1.064 420 V CB -0.385 31.505 31.823 0.112 0.000 0.675 420 V HN 0.299 nan 8.190 nan 0.000 0.461 421 A N -0.561 122.373 122.820 0.190 0.000 3.245 421 A HA 0.387 4.704 4.320 -0.004 0.000 0.282 421 A C 1.125 178.845 177.584 0.227 0.000 1.417 421 A CA -0.203 51.942 52.037 0.180 0.000 1.149 421 A CB -0.178 18.830 19.000 0.013 0.000 1.155 421 A HN 0.508 nan 8.150 nan 0.000 0.602 422 E N -0.420 119.924 120.200 0.239 0.000 2.332 422 E HA -0.004 4.344 4.350 -0.004 0.000 0.202 422 E C 1.303 177.983 176.600 0.134 0.000 0.877 422 E CA 0.431 56.928 56.400 0.162 0.000 0.979 422 E CB 0.388 30.153 29.700 0.108 0.000 0.969 422 E HN 0.435 nan 8.360 nan 0.000 0.495 423 V N 1.084 121.078 119.914 0.134 0.000 2.982 423 V HA -0.200 3.917 4.120 -0.004 0.000 0.265 423 V C 1.217 177.171 176.094 -0.234 0.000 1.122 423 V CA 1.616 63.861 62.300 -0.090 0.000 1.143 423 V CB -0.527 31.147 31.823 -0.249 0.000 0.726 423 V HN 0.199 nan 8.190 nan 0.000 0.507 424 F N -0.370 119.590 119.950 0.017 0.000 2.531 424 F HA 0.079 4.603 4.527 -0.005 0.000 0.273 424 F C 2.462 178.279 175.800 0.029 0.000 0.960 424 F CA 0.871 58.879 58.000 0.013 0.000 1.207 424 F CB -1.014 37.985 39.000 -0.002 0.000 1.012 424 F HN 0.086 nan 8.300 nan 0.000 0.738 425 T N -2.020 112.694 114.554 0.267 0.000 3.160 425 T HA 0.244 4.591 4.350 -0.004 0.000 0.257 425 T C 1.852 176.763 174.700 0.351 0.000 1.147 425 T CA 0.679 62.908 62.100 0.216 0.000 1.064 425 T CB -0.701 68.229 68.868 0.103 0.000 0.949 425 T HN 0.561 nan 8.240 nan 0.000 0.526 426 G N 1.020 109.932 108.800 0.186 0.000 2.200 426 G HA2 -0.265 3.692 3.960 -0.004 0.000 0.267 426 G HA3 -0.265 3.692 3.960 -0.004 0.000 0.267 426 G C -0.133 174.693 174.900 -0.123 0.000 0.993 426 G CA 0.769 45.893 45.100 0.041 0.000 0.701 426 G HN 0.781 nan 8.290 nan 0.000 0.524 427 H N -1.979 117.105 119.070 0.025 0.000 2.731 427 H HA 0.678 5.231 4.556 -0.004 0.000 0.368 427 H C -0.193 175.150 175.328 0.025 0.000 1.168 427 H CA -1.068 54.989 56.048 0.016 0.000 1.181 427 H CB 1.467 31.230 29.762 0.002 0.000 1.743 427 H HN 0.131 nan 8.280 nan 0.000 0.547 428 L N 1.637 122.934 121.223 0.123 0.000 2.319 428 L HA 0.379 4.717 4.340 -0.004 0.000 0.280 428 L C 0.852 177.779 176.870 0.094 0.000 1.099 428 L CA 0.181 55.070 54.840 0.081 0.000 0.828 428 L CB 0.497 42.583 42.059 0.046 0.000 1.150 428 L HN 0.850 nan 8.230 nan 0.000 0.442 429 G N 4.026 112.881 108.800 0.092 0.000 2.491 429 G HA2 0.302 4.259 3.960 -0.004 0.000 0.242 429 G HA3 0.302 4.259 3.960 -0.004 0.000 0.242 429 G C -0.497 174.451 174.900 0.080 0.000 1.266 429 G CA -0.508 44.656 45.100 0.106 0.000 0.844 429 G HN 0.447 nan 8.290 nan 0.000 0.571 430 K N 1.035 121.490 120.400 0.093 0.000 2.345 430 K HA 0.305 4.622 4.320 -0.004 0.000 0.255 430 K C -0.958 175.672 176.600 0.050 0.000 0.934 430 K CA -1.025 55.300 56.287 0.065 0.000 0.801 430 K CB 2.248 34.789 32.500 0.068 0.000 1.137 430 K HN 0.325 nan 8.250 nan 0.000 0.424 431 L N 3.948 125.180 121.223 0.015 0.000 2.603 431 L HA 0.258 4.596 4.340 -0.004 0.000 0.242 431 L C -0.883 175.981 176.870 -0.011 0.000 1.169 431 L CA -0.741 54.089 54.840 -0.016 0.000 1.029 431 L CB 0.397 42.430 42.059 -0.043 0.000 1.361 431 L HN 0.242 nan 8.230 nan 0.000 0.439 432 V N 4.653 124.569 119.914 0.004 0.000 2.694 432 V HA 0.151 4.269 4.120 -0.004 0.000 0.306 432 V C -1.658 174.431 176.094 -0.007 0.000 1.054 432 V CA -0.547 61.757 62.300 0.008 0.000 1.161 432 V CB 0.040 31.869 31.823 0.010 0.000 0.916 432 V HN 0.626 nan 8.190 nan 0.000 0.490 433 P HA 0.198 nan 4.420 nan 0.000 0.281 433 P C 0.577 177.874 177.300 -0.004 0.000 1.249 433 P CA -0.637 62.458 63.100 -0.009 0.000 0.810 433 P CB 0.973 32.671 31.700 -0.004 0.000 1.008 434 L N 2.817 124.032 121.223 -0.012 0.000 2.043 434 L HA -0.209 4.128 4.340 -0.004 0.000 0.212 434 L C 2.068 178.915 176.870 -0.038 0.000 1.075 434 L CA 2.081 56.902 54.840 -0.032 0.000 0.752 434 L CB -1.000 41.049 42.059 -0.018 0.000 0.891 434 L HN 0.334 nan 8.230 nan 0.000 0.432 435 K N -0.977 119.418 120.400 -0.009 0.000 2.057 435 K HA -0.154 4.164 4.320 -0.004 0.000 0.207 435 K C 1.959 178.579 176.600 0.033 0.000 1.049 435 K CA 1.345 57.636 56.287 0.007 0.000 0.931 435 K CB -0.056 32.455 32.500 0.017 0.000 0.714 435 K HN 0.303 nan 8.250 nan 0.000 0.440 436 E N 0.045 120.270 120.200 0.043 0.000 2.150 436 E HA -0.091 4.256 4.350 -0.004 0.000 0.193 436 E C 1.985 178.660 176.600 0.125 0.000 0.985 436 E CA 1.061 57.508 56.400 0.079 0.000 0.814 436 E CB -0.297 29.443 29.700 0.068 0.000 0.752 436 E HN 0.246 nan 8.360 nan 0.000 0.466 437 T N 2.153 116.760 114.554 0.088 0.000 2.668 437 T HA -0.091 4.256 4.350 -0.004 0.000 0.262 437 T C 1.927 176.751 174.700 0.207 0.000 1.045 437 T CA 1.196 63.373 62.100 0.128 0.000 1.152 437 T CB -0.099 68.779 68.868 0.016 0.000 0.864 437 T HN 0.081 nan 8.240 nan 0.000 0.419 438 I N 1.255 121.861 120.570 0.060 0.000 2.286 438 I HA -0.090 4.077 4.170 -0.004 0.000 0.248 438 I C 2.185 178.392 176.117 0.149 0.000 1.115 438 I CA 1.423 62.757 61.300 0.056 0.000 1.392 438 I CB -1.228 36.737 38.000 -0.058 0.000 1.065 438 I HN 0.240 nan 8.210 nan 0.000 0.418 439 K N 1.296 121.777 120.400 0.135 0.000 2.002 439 K HA -0.076 4.242 4.320 -0.004 0.000 0.209 439 K C 2.287 179.005 176.600 0.197 0.000 1.048 439 K CA 1.474 57.846 56.287 0.141 0.000 0.930 439 K CB -0.713 31.857 32.500 0.117 0.000 0.714 439 K HN 0.417 nan 8.250 nan 0.000 0.438 440 G N 1.116 110.070 108.800 0.258 0.000 2.764 440 G HA2 -0.298 3.659 3.960 -0.004 0.000 0.219 440 G HA3 -0.298 3.659 3.960 -0.004 0.000 0.219 440 G C 1.276 176.312 174.900 0.227 0.000 1.259 440 G CA 1.444 46.735 45.100 0.318 0.000 0.793 440 G HN 0.211 nan 8.290 nan 0.000 0.633 441 F N 1.086 121.259 119.950 0.372 0.000 2.202 441 F HA -0.082 4.443 4.527 -0.004 0.000 0.301 441 F C 2.914 178.788 175.800 0.124 0.000 1.082 441 F CA 1.682 59.820 58.000 0.230 0.000 1.313 441 F CB -0.476 38.608 39.000 0.141 0.000 1.024 441 F HN 0.261 nan 8.300 nan 0.000 0.495 442 Q N 0.479 120.434 119.800 0.259 0.000 2.045 442 Q HA -0.302 4.035 4.340 -0.004 0.000 0.206 442 Q C 2.172 178.232 176.000 0.101 0.000 0.991 442 Q CA 2.345 58.238 55.803 0.150 0.000 0.851 442 Q CB -0.204 28.606 28.738 0.119 0.000 0.911 442 Q HN 0.485 nan 8.270 nan 0.000 0.418 443 Q N -0.282 119.579 119.800 0.102 0.000 2.084 443 Q HA -0.157 4.180 4.340 -0.004 0.000 0.202 443 Q C 2.149 178.157 176.000 0.013 0.000 0.978 443 Q CA 1.469 57.295 55.803 0.038 0.000 0.844 443 Q CB -0.081 28.732 28.738 0.125 0.000 0.898 443 Q HN 0.477 nan 8.270 nan 0.000 0.426 444 I N 0.788 121.404 120.570 0.076 0.000 2.208 444 I HA -0.268 3.899 4.170 -0.004 0.000 0.245 444 I C 2.283 178.397 176.117 -0.005 0.000 1.097 444 I CA 1.417 62.722 61.300 0.008 0.000 1.363 444 I CB -1.139 36.788 38.000 -0.121 0.000 1.051 444 I HN 0.283 nan 8.210 nan 0.000 0.413 445 L N 0.934 122.182 121.223 0.042 0.000 2.017 445 L HA -0.197 4.140 4.340 -0.004 0.000 0.208 445 L C 2.945 179.818 176.870 0.005 0.000 1.073 445 L CA 1.487 56.348 54.840 0.034 0.000 0.745 445 L CB -0.824 41.274 42.059 0.064 0.000 0.894 445 L HN 0.207 nan 8.230 nan 0.000 0.432 446 A N -0.330 122.490 122.820 -0.001 0.000 1.917 446 A HA -0.135 4.182 4.320 -0.004 0.000 0.219 446 A C 1.907 179.461 177.584 -0.048 0.000 1.182 446 A CA 2.084 54.106 52.037 -0.025 0.000 0.633 446 A CB -0.824 18.151 19.000 -0.041 0.000 0.819 446 A HN 0.658 nan 8.150 nan 0.000 0.448 447 G N -2.017 106.740 108.800 -0.071 0.000 2.168 447 G HA2 -0.187 3.770 3.960 -0.004 0.000 0.197 447 G HA3 -0.187 3.770 3.960 -0.004 0.000 0.197 447 G C 0.467 175.286 174.900 -0.136 0.000 0.997 447 G CA 0.642 45.698 45.100 -0.073 0.000 0.658 447 G HN 0.522 nan 8.290 nan 0.000 0.513 448 E N -0.871 119.164 120.200 -0.276 0.000 2.204 448 E HA -0.054 4.294 4.350 -0.004 0.000 0.195 448 E C 0.828 176.997 176.600 -0.717 0.000 0.990 448 E CA 1.163 57.243 56.400 -0.533 0.000 0.821 448 E CB -0.073 29.157 29.700 -0.783 0.000 0.750 448 E HN 0.727 nan 8.360 nan 0.000 0.477 449 Y N -0.239 120.008 120.300 -0.087 0.000 2.720 449 Y HA 0.159 4.707 4.550 -0.004 0.000 0.268 449 Y C 0.931 176.670 175.900 -0.268 0.000 1.142 449 Y CA -0.642 57.298 58.100 -0.267 0.000 1.193 449 Y CB 0.376 38.791 38.460 -0.075 0.000 1.176 449 Y HN -0.115 nan 8.280 nan 0.000 0.542 450 D N 0.417 120.777 120.400 -0.066 0.000 2.221 450 D HA -0.195 4.442 4.640 -0.004 0.000 0.204 450 D C 2.064 178.370 176.300 0.010 0.000 0.982 450 D CA 1.544 55.539 54.000 -0.007 0.000 0.857 450 D CB 0.029 40.837 40.800 0.014 0.000 0.934 450 D HN 0.633 nan 8.370 nan 0.000 0.475 451 H N -0.405 118.711 119.070 0.078 0.000 2.395 451 H HA 0.031 4.584 4.556 -0.004 0.000 0.299 451 H C 1.352 176.726 175.328 0.078 0.000 1.070 451 H CA 0.059 56.143 56.048 0.059 0.000 1.356 451 H CB -0.586 29.197 29.762 0.036 0.000 1.401 451 H HN 0.098 nan 8.280 nan 0.000 0.524 452 L N 2.866 123.874 121.223 -0.358 0.000 2.503 452 L HA 0.056 4.393 4.340 -0.004 0.000 0.287 452 L C -1.981 174.900 176.870 0.017 0.000 1.252 452 L CA -1.176 53.574 54.840 -0.150 0.000 0.835 452 L CB 0.256 42.168 42.059 -0.245 0.000 1.099 452 L HN 0.231 nan 8.230 nan 0.000 0.516 453 P HA 0.246 nan 4.420 nan 0.000 0.290 453 P C -0.131 177.237 177.300 0.113 0.000 1.283 453 P CA -0.706 62.417 63.100 0.039 0.000 0.869 453 P CB 1.154 32.849 31.700 -0.008 0.000 1.100 454 E N 0.584 120.894 120.200 0.183 0.000 2.037 454 E HA -0.282 4.066 4.350 -0.004 0.000 0.214 454 E C 1.619 178.372 176.600 0.256 0.000 1.041 454 E CA 1.451 58.011 56.400 0.266 0.000 0.872 454 E CB -0.435 29.335 29.700 0.116 0.000 0.785 454 E HN 0.503 nan 8.360 nan 0.000 0.476 455 Q N -0.409 119.452 119.800 0.101 0.000 2.528 455 Q HA -0.159 4.178 4.340 -0.004 0.000 0.217 455 Q C 1.813 177.827 176.000 0.022 0.000 0.988 455 Q CA 0.982 56.831 55.803 0.076 0.000 0.900 455 Q CB -0.161 28.590 28.738 0.021 0.000 0.947 455 Q HN 0.319 nan 8.270 nan 0.000 0.502 456 A N -0.823 121.911 122.820 -0.143 0.000 2.014 456 A HA -0.073 4.244 4.320 -0.004 0.000 0.218 456 A C 1.388 178.722 177.584 -0.415 0.000 1.163 456 A CA 0.655 52.461 52.037 -0.385 0.000 0.652 456 A CB -0.350 18.216 19.000 -0.724 0.000 0.808 456 A HN 0.304 nan 8.150 nan 0.000 0.449 457 F N -2.579 117.358 119.950 -0.022 0.000 2.754 457 F HA 0.203 4.727 4.527 -0.004 0.000 0.297 457 F C 0.766 176.649 175.800 0.138 0.000 1.122 457 F CA -0.558 57.443 58.000 0.002 0.000 1.400 457 F CB -0.402 38.577 39.000 -0.034 0.000 1.117 457 F HN 0.240 nan 8.300 nan 0.000 0.587 458 Y N 2.442 122.844 120.300 0.170 0.000 2.544 458 Y HA 0.178 4.726 4.550 -0.004 0.000 0.330 458 Y C 0.709 176.656 175.900 0.078 0.000 1.136 458 Y CA -1.211 56.961 58.100 0.120 0.000 1.417 458 Y CB 0.135 38.640 38.460 0.075 0.000 1.229 458 Y HN 0.035 nan 8.280 nan 0.000 0.532 459 M N 6.225 125.573 119.600 -0.420 0.000 3.241 459 M HA -0.166 4.312 4.480 -0.004 0.000 0.169 459 M C -1.074 175.154 176.300 -0.120 0.000 1.333 459 M CA 1.079 56.148 55.300 -0.385 0.000 0.838 459 M CB -2.584 29.615 32.600 -0.669 0.000 1.258 459 M HN 0.493 nan 8.290 nan 0.000 0.656 460 V N -1.803 118.111 119.914 0.000 0.000 3.165 460 V HA 1.091 5.208 4.120 -0.004 0.000 0.309 460 V C 0.468 176.620 176.094 0.096 0.000 1.267 460 V CA -0.090 62.244 62.300 0.057 0.000 1.067 460 V CB 1.683 33.552 31.823 0.077 0.000 1.082 460 V HN 0.508 nan 8.190 nan 0.000 0.451 461 G N -0.229 108.633 108.800 0.103 0.000 2.766 461 G HA2 0.544 4.502 3.960 -0.004 0.000 0.206 461 G HA3 0.544 4.502 3.960 -0.004 0.000 0.206 461 G C -2.567 172.447 174.900 0.189 0.000 2.072 461 G CA -0.499 44.663 45.100 0.103 0.000 0.798 461 G HN 0.692 nan 8.290 nan 0.000 0.703 462 P HA 0.246 nan 4.420 nan 0.000 0.275 462 P C 0.775 178.164 177.300 0.150 0.000 1.228 462 P CA -0.596 62.614 63.100 0.184 0.000 0.786 462 P CB 1.434 33.189 31.700 0.093 0.000 0.927 463 I N 1.933 122.569 120.570 0.109 0.000 2.290 463 I HA -0.351 3.816 4.170 -0.004 0.000 0.253 463 I C 1.640 177.596 176.117 -0.267 0.000 1.112 463 I CA 1.950 63.080 61.300 -0.283 0.000 1.377 463 I CB -0.263 37.516 38.000 -0.368 0.000 1.060 463 I HN 0.363 nan 8.210 nan 0.000 0.428 464 E N 0.569 120.700 120.200 -0.115 0.000 2.130 464 E HA -0.260 4.087 4.350 -0.004 0.000 0.196 464 E C 2.039 178.566 176.600 -0.120 0.000 0.998 464 E CA 1.762 58.102 56.400 -0.100 0.000 0.806 464 E CB -0.269 29.411 29.700 -0.033 0.000 0.738 464 E HN 0.634 nan 8.360 nan 0.000 0.459 465 E N -0.033 120.113 120.200 -0.091 0.000 2.208 465 E HA -0.060 4.287 4.350 -0.004 0.000 0.193 465 E C 1.983 178.485 176.600 -0.164 0.000 0.988 465 E CA 0.703 57.053 56.400 -0.083 0.000 0.828 465 E CB -0.066 29.623 29.700 -0.018 0.000 0.763 465 E HN 0.280 nan 8.360 nan 0.000 0.478 466 A N 1.275 123.932 122.820 -0.272 0.000 1.969 466 A HA -0.102 4.215 4.320 -0.004 0.000 0.218 466 A C 2.481 179.756 177.584 -0.515 0.000 1.169 466 A CA 0.915 52.662 52.037 -0.484 0.000 0.635 466 A CB -0.396 18.187 19.000 -0.694 0.000 0.810 466 A HN 0.105 nan 8.150 nan 0.000 0.445 467 V N -0.314 119.365 119.914 -0.391 0.000 2.283 467 V HA -0.152 3.966 4.120 -0.004 0.000 0.243 467 V C 2.991 178.985 176.094 -0.167 0.000 1.039 467 V CA 1.750 63.890 62.300 -0.267 0.000 1.016 467 V CB -1.444 30.273 31.823 -0.176 0.000 0.650 467 V HN 0.541 nan 8.190 nan 0.000 0.449 468 A N -0.305 122.435 122.820 -0.134 0.000 1.933 468 A HA -0.232 4.085 4.320 -0.004 0.000 0.218 468 A C 2.358 179.888 177.584 -0.091 0.000 1.175 468 A CA 2.060 54.045 52.037 -0.087 0.000 0.628 468 A CB -0.512 18.451 19.000 -0.063 0.000 0.814 468 A HN 0.485 nan 8.150 nan 0.000 0.444 469 K N -0.400 119.928 120.400 -0.121 0.000 2.147 469 K HA -0.085 4.233 4.320 -0.004 0.000 0.205 469 K C 2.162 178.694 176.600 -0.113 0.000 1.049 469 K CA 1.010 57.236 56.287 -0.103 0.000 0.936 469 K CB -0.270 32.157 32.500 -0.122 0.000 0.722 469 K HN 0.418 nan 8.250 nan 0.000 0.446 470 A N 1.466 124.187 122.820 -0.165 0.000 1.902 470 A HA -0.203 4.114 4.320 -0.004 0.000 0.217 470 A C 1.609 179.148 177.584 -0.074 0.000 1.181 470 A CA 2.018 53.970 52.037 -0.142 0.000 0.623 470 A CB -0.519 18.373 19.000 -0.180 0.000 0.818 470 A HN 0.303 nan 8.150 nan 0.000 0.443 471 D N -0.187 120.175 120.400 -0.063 0.000 2.092 471 D HA -0.121 4.516 4.640 -0.004 0.000 0.193 471 D C 1.838 178.120 176.300 -0.030 0.000 0.994 471 D CA 1.519 55.497 54.000 -0.036 0.000 0.828 471 D CB -0.226 40.554 40.800 -0.033 0.000 0.963 471 D HN 0.472 nan 8.370 nan 0.000 0.450 472 K N -0.228 120.152 120.400 -0.033 0.000 2.442 472 K HA 0.076 4.393 4.320 -0.004 0.000 0.198 472 K C 0.973 177.562 176.600 -0.020 0.000 1.042 472 K CA 0.360 56.634 56.287 -0.022 0.000 0.958 472 K CB 0.262 32.752 32.500 -0.018 0.000 0.766 472 K HN 0.170 nan 8.250 nan 0.000 0.474 473 L N 0.730 121.936 121.223 -0.029 0.000 2.928 473 L HA 0.304 4.641 4.340 -0.004 0.000 0.246 473 L C 0.152 177.010 176.870 -0.019 0.000 1.239 473 L CA -0.512 54.314 54.840 -0.024 0.000 1.035 473 L CB -0.891 41.148 42.059 -0.033 0.000 1.360 473 L HN 0.138 nan 8.230 nan 0.000 0.529 474 A N 0.000 122.810 122.820 -0.017 0.000 2.254 474 A HA 0.000 4.317 4.320 -0.004 0.000 0.244 474 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 474 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486