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 2w6h_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 0.256 0.000 1.109 9 T CA 0.000 62.211 62.100 0.186 0.000 1.349 9 T CB 0.000 68.997 68.868 0.215 0.000 0.612 10 T N 1.871 116.541 114.554 0.194 0.000 2.809 10 T HA 0.723 5.070 4.350 -0.005 0.000 0.296 10 T C 0.643 175.260 174.700 -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 2.252 110.743 108.800 -0.514 0.000 2.521 11 G HA2 0.722 4.679 3.960 -0.005 0.000 0.323 11 G HA3 0.722 4.679 3.960 -0.005 0.000 0.323 11 G C -0.567 174.041 174.900 -0.487 0.000 1.211 11 G CA -0.921 43.581 45.100 -0.997 0.000 0.979 11 G HN 0.565 nan 8.290 nan 0.000 0.490 12 R N -1.119 119.139 120.500 -0.403 0.000 2.828 12 R HA 0.470 4.807 4.340 -0.005 0.000 0.264 12 R C -0.424 175.760 176.300 -0.194 0.000 1.022 12 R CA -0.845 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 2.540 123.038 120.570 -0.120 0.000 2.371 13 I HA 0.026 4.193 4.170 -0.005 0.000 0.290 13 I C 1.395 177.473 176.117 -0.065 0.000 1.028 13 I CA -0.095 61.155 61.300 -0.083 0.000 1.345 13 I CB 1.567 39.535 38.000 -0.055 0.000 1.407 13 I HN 0.554 nan 8.210 nan 0.000 0.501 14 V N 3.147 123.029 119.914 -0.053 0.000 3.263 14 V HA 0.508 4.625 4.120 -0.005 0.000 0.248 14 V C 0.659 176.738 176.094 -0.025 0.000 1.145 14 V CA 0.358 62.635 62.300 -0.038 0.000 1.107 14 V CB 0.050 31.853 31.823 -0.033 0.000 0.797 14 V HN 0.722 nan 8.190 nan 0.000 0.467 15 A N -0.487 122.321 122.820 -0.020 0.000 2.589 15 A HA 0.795 5.112 4.320 -0.005 0.000 0.296 15 A C -1.333 176.245 177.584 -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 0.460 nan 8.150 nan 0.000 0.404 16 V N 2.129 122.039 119.914 -0.008 0.000 2.488 16 V HA 0.463 4.580 4.120 -0.005 0.000 0.293 16 V C -0.897 175.195 176.094 -0.003 0.000 1.027 16 V CA 0.042 62.339 62.300 -0.005 0.000 0.862 16 V CB 1.246 33.065 31.823 -0.006 0.000 1.008 16 V HN 0.689 nan 8.190 nan 0.000 0.428 17 I N 4.933 125.503 120.570 -0.001 0.000 2.595 17 I HA 0.633 4.800 4.170 -0.005 0.000 0.275 17 I C 0.973 177.089 176.117 -0.001 0.000 1.092 17 I CA 0.202 61.501 61.300 -0.002 0.000 1.145 17 I CB 1.142 39.141 38.000 -0.001 0.000 1.276 17 I HN 0.866 nan 8.210 nan 0.000 0.497 18 G N 4.392 113.191 108.800 -0.002 0.000 2.531 18 G HA2 -0.277 3.680 3.960 -0.005 0.000 0.274 18 G HA3 -0.277 3.680 3.960 -0.005 0.000 0.274 18 G C 0.518 175.418 174.900 -0.000 0.000 1.159 18 G CA 0.127 45.226 45.100 -0.002 0.000 0.969 18 G HN 0.834 nan 8.290 nan 0.000 0.554 19 A N -0.592 122.229 122.820 0.000 0.000 2.734 19 A HA 0.627 4.944 4.320 -0.005 0.000 0.279 19 A C 0.204 177.792 177.584 0.006 0.000 1.386 19 A CA 0.910 52.949 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 1.571 nan 8.150 nan 0.000 0.569 20 V N 0.847 120.765 119.914 0.006 0.000 2.447 20 V HA 0.280 4.397 4.120 -0.005 0.000 0.292 20 V C -0.666 175.434 176.094 0.010 0.000 1.021 20 V CA -0.492 61.814 62.300 0.010 0.000 0.850 20 V CB 1.690 33.518 31.823 0.008 0.000 1.005 20 V HN 0.159 nan 8.190 nan 0.000 0.426 21 V N 3.607 123.530 119.914 0.015 0.000 2.435 21 V HA 0.541 4.658 4.120 -0.005 0.000 0.290 21 V C -0.526 175.579 176.094 0.019 0.000 1.030 21 V CA -0.662 61.645 62.300 0.013 0.000 0.881 21 V CB 1.941 33.772 31.823 0.012 0.000 0.983 21 V HN 0.739 nan 8.190 nan 0.000 0.445 22 D N 3.000 123.405 120.400 0.010 0.000 2.193 22 D HA 0.618 5.255 4.640 -0.005 0.000 0.244 22 D C -0.627 175.673 176.300 -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 2.293 122.217 119.914 0.017 0.000 2.588 23 V HA 0.335 4.452 4.120 -0.005 0.000 0.304 23 V C -0.250 175.822 176.094 -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 33.732 31.823 -0.023 0.000 0.996 23 V HN 0.405 nan 8.190 nan 0.000 0.425 24 Q N 3.291 123.002 119.800 -0.148 0.000 2.307 24 Q HA 0.586 4.923 4.340 -0.005 0.000 0.262 24 Q C -1.827 174.033 176.000 -0.234 0.000 0.961 24 Q CA -0.478 55.274 55.803 -0.085 0.000 0.882 24 Q CB 1.274 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 2.461 122.384 119.950 -0.046 0.000 2.421 25 F HA 0.246 4.775 4.527 0.003 0.000 0.337 25 F C 0.970 176.751 175.800 -0.031 0.000 1.105 25 F CA -0.381 57.597 58.000 -0.037 0.000 1.049 25 F CB 1.485 40.458 39.000 -0.046 0.000 1.139 25 F HN 0.647 nan 8.300 nan 0.000 0.479 26 D N 1.479 121.949 120.400 0.118 0.000 2.146 26 D HA -0.027 4.610 4.640 -0.005 0.000 0.209 26 D C -0.186 176.163 176.300 0.082 0.000 0.973 26 D CA 1.210 55.250 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 -0.440 119.820 120.200 0.100 0.000 2.187 27 E HA 0.522 4.869 4.350 -0.005 0.000 0.268 27 E C -0.325 176.325 176.600 0.084 0.000 0.896 27 E CA -0.557 55.887 56.400 0.072 0.000 0.766 27 E CB 2.136 31.867 29.700 0.051 0.000 1.142 27 E HN 0.188 nan 8.360 nan 0.000 0.408 28 G N 2.302 111.121 108.800 0.032 0.000 3.273 28 G HA2 -0.196 3.761 3.960 -0.005 0.000 0.325 28 G HA3 -0.196 3.761 3.960 -0.005 0.000 0.325 28 G C -1.064 173.740 174.900 -0.161 0.000 0.960 28 G CA -0.724 44.358 45.100 -0.030 0.000 0.808 28 G HN 0.323 nan 8.290 nan 0.000 0.387 29 L N 5.964 127.057 121.223 -0.216 0.000 2.264 29 L HA 0.618 4.955 4.340 -0.005 0.000 0.289 29 L C -1.383 175.263 176.870 -0.373 0.000 1.044 29 L CA -2.153 52.433 54.840 -0.423 0.000 0.807 29 L CB 0.963 42.859 42.059 -0.272 0.000 1.192 29 L HN 0.413 nan 8.230 nan 0.000 0.425 30 P HA 0.155 nan 4.420 nan 0.000 0.265 30 P C -2.654 174.661 177.300 0.025 0.000 1.193 30 P CA -0.952 61.989 63.100 -0.266 0.000 0.765 30 P CB -0.256 31.266 31.700 -0.296 0.000 0.823 31 P HA 0.144 nan 4.420 nan 0.000 0.273 31 P C 0.270 177.576 177.300 0.010 0.000 1.250 31 P CA -0.177 62.932 63.100 0.016 0.000 0.793 31 P CB 0.660 32.334 31.700 -0.042 0.000 1.011 32 I N 1.403 121.895 120.570 -0.131 0.000 2.618 32 I HA -0.044 4.123 4.170 -0.005 0.000 0.284 32 I C 1.486 177.556 176.117 -0.078 0.000 1.146 32 I CA 0.673 61.916 61.300 -0.094 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 2.330 123.519 121.223 -0.056 0.000 2.583 33 L HA -0.213 4.124 4.340 -0.005 0.000 0.464 33 L C 0.275 177.174 176.870 0.048 0.000 0.736 33 L CA -0.074 54.726 54.840 -0.066 0.000 2.687 33 L CB -1.328 40.609 42.059 -0.204 0.000 1.013 33 L HN 0.635 nan 8.230 nan 0.000 0.629 34 N N 1.095 119.817 118.700 0.036 0.000 2.381 34 N HA 0.460 5.197 4.740 -0.005 0.000 0.241 34 N C 0.204 175.757 175.510 0.072 0.000 1.279 34 N CA 1.001 54.082 53.050 0.052 0.000 0.896 34 N CB 0.716 39.217 38.487 0.023 0.000 1.118 34 N HN 0.315 nan 8.380 nan 0.000 0.438 35 A N 1.852 124.716 122.820 0.072 0.000 2.292 35 A HA 0.601 4.918 4.320 -0.005 0.000 0.319 35 A C -0.562 177.068 177.584 0.076 0.000 1.206 35 A CA -0.630 51.450 52.037 0.073 0.000 0.835 35 A CB 0.223 19.259 19.000 0.060 0.000 1.164 35 A HN 0.566 nan 8.150 nan 0.000 0.505 36 L N 1.924 123.200 121.223 0.088 0.000 2.334 36 L HA 0.546 4.883 4.340 -0.005 0.000 0.273 36 L C -0.234 176.683 176.870 0.078 0.000 1.013 36 L CA -0.826 54.079 54.840 0.109 0.000 0.816 36 L CB 1.653 43.808 42.059 0.160 0.000 1.278 36 L HN 0.623 nan 8.230 nan 0.000 0.431 37 E N 2.060 122.302 120.200 0.071 0.000 2.166 37 E HA 0.361 4.708 4.350 -0.005 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 2.915 32.641 29.700 0.042 0.000 1.115 37 E HN 0.202 nan 8.360 nan 0.000 0.399 38 V N 3.610 123.538 119.914 0.024 0.000 2.530 38 V HA 0.037 4.154 4.120 -0.005 0.000 0.282 38 V C 0.430 176.528 176.094 0.006 0.000 1.048 38 V CA -0.608 61.698 62.300 0.010 0.000 0.997 38 V CB 1.022 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 2.648 122.447 119.800 -0.001 0.000 2.261 39 Q HA 0.458 4.795 4.340 -0.005 0.000 0.252 39 Q C 0.932 176.930 176.000 -0.003 0.000 0.915 39 Q CA 0.520 56.323 55.803 -0.001 0.000 0.915 39 Q CB 1.296 30.031 28.738 -0.005 0.000 1.204 39 Q HN 1.185 nan 8.270 nan 0.000 0.421 40 G N 2.729 111.529 108.800 -0.000 0.000 2.325 40 G HA2 -0.236 3.721 3.960 -0.005 0.000 0.248 40 G HA3 -0.236 3.721 3.960 -0.005 0.000 0.248 40 G C -0.273 174.627 174.900 -0.001 0.000 1.108 40 G CA -0.304 44.795 45.100 -0.001 0.000 0.881 40 G HN 0.448 nan 8.290 nan 0.000 0.494 41 R N -0.380 120.121 120.500 0.002 0.000 2.532 41 R HA 0.322 4.659 4.340 -0.005 0.000 0.297 41 R C 1.086 177.388 176.300 0.004 0.000 0.984 41 R CA -0.943 55.158 56.100 0.002 0.000 0.884 41 R CB 1.140 31.441 30.300 0.003 0.000 1.182 41 R HN 0.119 nan 8.270 nan 0.000 0.442 42 E N 0.698 120.900 120.200 0.003 0.000 2.217 42 E HA -0.236 4.111 4.350 -0.005 0.000 0.219 42 E C 0.753 177.355 176.600 0.005 0.000 1.070 42 E CA 2.359 58.761 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 -3.037 111.520 114.554 0.004 0.000 2.888 43 T HA 0.523 4.870 4.350 -0.005 0.000 0.288 43 T C -0.047 174.656 174.700 0.005 0.000 1.063 43 T CA -0.947 61.156 62.100 0.005 0.000 1.010 43 T CB 2.199 71.070 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 -0.005 0.000 0.309 44 R C -1.149 175.155 176.300 0.007 0.000 1.059 44 R CA -0.521 55.583 56.100 0.006 0.000 0.981 44 R CB -0.135 30.166 30.300 0.003 0.000 0.972 44 R HN 0.522 nan 8.270 nan 0.000 0.437 45 L N 6.081 127.310 121.223 0.010 0.000 2.318 45 L HA 0.337 4.674 4.340 -0.005 0.000 0.277 45 L C -1.260 175.621 176.870 0.019 0.000 1.008 45 L CA -0.472 54.376 54.840 0.013 0.000 0.846 45 L CB 1.815 43.880 42.059 0.011 0.000 1.220 45 L HN 0.324 nan 8.230 nan 0.000 0.423 46 V N 6.358 126.284 119.914 0.020 0.000 2.394 46 V HA 0.399 4.516 4.120 -0.005 0.000 0.282 46 V C 0.061 176.177 176.094 0.036 0.000 1.031 46 V CA -0.550 61.767 62.300 0.029 0.000 0.881 46 V CB 1.568 33.405 31.823 0.023 0.000 0.982 46 V HN 0.518 nan 8.190 nan 0.000 0.451 47 L N 4.756 126.007 121.223 0.047 0.000 2.262 47 L HA 0.491 4.828 4.340 -0.005 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 1.294 43.389 42.059 0.060 0.000 1.204 47 L HN 0.711 nan 8.230 nan 0.000 0.424 48 E N 2.784 123.024 120.200 0.066 0.000 2.331 48 E HA 0.285 4.632 4.350 -0.005 0.000 0.272 48 E C -0.865 175.778 176.600 0.070 0.000 1.036 48 E CA -0.678 55.770 56.400 0.079 0.000 0.864 48 E CB 1.598 31.359 29.700 0.102 0.000 1.035 48 E HN 0.275 nan 8.360 nan 0.000 0.408 49 V N 3.528 123.483 119.914 0.069 0.000 2.686 49 V HA 0.278 4.395 4.120 -0.005 0.000 0.295 49 V C 0.746 176.864 176.094 0.040 0.000 1.055 49 V CA 0.792 63.134 62.300 0.070 0.000 1.050 49 V CB 1.124 32.998 31.823 0.085 0.000 0.984 49 V HN 0.910 nan 8.190 nan 0.000 0.482 50 A N 3.825 126.676 122.820 0.051 0.000 2.140 50 A HA 0.415 4.732 4.320 -0.005 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 0.515 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 -1.129 118.724 119.800 0.089 0.000 2.522 51 Q HA 0.337 4.674 4.340 -0.005 0.000 0.285 51 Q C -1.647 174.512 176.000 0.264 0.000 0.982 51 Q CA -0.638 55.232 55.803 0.111 0.000 0.805 51 Q CB 1.477 30.255 28.738 0.066 0.000 1.457 51 Q HN 0.543 nan 8.270 nan 0.000 0.394 52 H N 1.989 121.057 119.070 -0.003 0.000 2.680 52 H HA 0.235 4.792 4.556 0.002 0.000 0.260 52 H C 0.634 175.967 175.328 0.008 0.000 1.328 52 H CA -0.166 55.884 56.048 0.002 0.000 1.269 52 H CB 0.504 30.261 29.762 -0.009 0.000 1.446 52 H HN 0.436 nan 8.280 nan 0.000 0.527 53 L N 2.048 123.317 121.223 0.076 0.000 2.551 53 L HA -0.022 4.315 4.340 -0.005 0.000 0.230 53 L C 1.228 178.118 176.870 0.033 0.000 1.163 53 L CA 0.687 55.555 54.840 0.046 0.000 0.826 53 L CB -0.510 41.567 42.059 0.029 0.000 0.943 53 L HN 0.738 nan 8.230 nan 0.000 0.452 54 G N 0.382 109.198 108.800 0.027 0.000 2.716 54 G HA2 -0.187 3.770 3.960 -0.005 0.000 0.686 54 G HA3 -0.187 3.770 3.960 -0.005 0.000 0.686 54 G C 0.055 174.958 174.900 0.005 0.000 1.337 54 G CA -0.269 44.843 45.100 0.019 0.000 0.829 54 G HN 0.414 nan 8.290 nan 0.000 0.599 55 E N -0.561 119.641 120.200 0.003 0.000 2.645 55 E HA -0.172 4.175 4.350 -0.005 0.000 0.282 55 E C 1.010 177.612 176.600 0.002 0.000 1.013 55 E CA 1.054 57.456 56.400 0.004 0.000 0.842 55 E CB -1.616 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 -1.985 113.710 115.700 -0.007 0.000 3.561 56 S HA -0.209 4.258 4.470 -0.005 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 0.036 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 -0.005 0.000 0.285 57 T C 0.235 174.926 174.700 -0.015 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 1.187 121.127 119.914 0.043 0.000 2.732 58 V HA 0.771 4.888 4.120 -0.005 0.000 0.310 58 V C -0.219 175.916 176.094 0.069 0.000 1.053 58 V CA -1.356 60.967 62.300 0.037 0.000 0.957 58 V CB 1.590 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 2.134 122.679 120.500 0.074 0.000 2.310 59 R HA 0.684 5.021 4.340 -0.005 0.000 0.324 59 R C -0.160 176.178 176.300 0.063 0.000 0.955 59 R CA 0.213 56.347 56.100 0.058 0.000 0.830 59 R CB 1.331 31.658 30.300 0.045 0.000 1.154 59 R HN 1.162 nan 8.270 nan 0.000 0.458 60 T N 1.737 116.324 114.554 0.056 0.000 2.926 60 T HA 0.584 4.931 4.350 -0.005 0.000 0.289 60 T C 0.175 174.898 174.700 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 0.563 nan 8.240 nan 0.000 0.526 61 I N -0.391 120.202 120.570 0.038 0.000 2.389 61 I HA 0.800 4.967 4.170 -0.005 0.000 0.288 61 I C 0.226 176.361 176.117 0.031 0.000 0.999 61 I CA -1.466 59.851 61.300 0.028 0.000 1.129 61 I CB 1.197 39.211 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 0.390 4.707 4.320 -0.005 0.000 0.243 62 A C 0.856 178.453 177.584 0.021 0.000 1.076 62 A CA -0.238 51.813 52.037 0.022 0.000 0.773 62 A CB 0.373 19.382 19.000 0.015 0.000 1.010 62 A HN 0.886 nan 8.150 nan 0.000 0.493 63 M N 0.736 120.349 119.600 0.022 0.000 2.431 63 M HA 0.193 4.670 4.480 -0.005 0.000 0.237 63 M C -0.076 176.232 176.300 0.014 0.000 1.130 63 M CA 0.581 55.893 55.300 0.019 0.000 1.002 63 M CB -1.266 31.346 32.600 0.020 0.000 1.524 63 M HN 0.890 nan 8.290 nan 0.000 0.482 64 D N -1.239 119.169 120.400 0.012 0.000 2.692 64 D HA 0.437 5.075 4.640 -0.005 0.000 0.290 64 D C -0.332 175.973 176.300 0.007 0.000 1.281 64 D CA -0.316 53.689 54.000 0.009 0.000 0.804 64 D CB 1.022 41.827 40.800 0.008 0.000 1.331 64 D HN 0.122 nan 8.370 nan 0.000 0.432 65 G N -0.210 108.593 108.800 0.005 0.000 2.115 65 G HA2 0.213 4.170 3.960 -0.005 0.000 0.244 65 G HA3 0.213 4.170 3.960 -0.005 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 -0.396 114.160 114.554 0.003 0.000 3.144 66 T HA 0.156 4.503 4.350 -0.005 0.000 0.249 66 T C 0.581 175.281 174.700 -0.000 0.000 1.089 66 T CA -0.058 62.043 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 1.343 121.543 120.200 -0.000 0.000 2.558 67 E HA 0.385 4.732 4.350 -0.005 0.000 0.255 67 E C 1.435 178.034 176.600 -0.002 0.000 0.968 67 E CA 0.601 57.001 56.400 -0.001 0.000 0.939 67 E CB -0.419 29.281 29.700 -0.000 0.000 0.921 67 E HN 0.343 nan 8.360 nan 0.000 0.477 68 G N 2.526 111.324 108.800 -0.003 0.000 2.268 68 G HA2 -0.317 3.640 3.960 -0.005 0.000 0.240 68 G HA3 -0.317 3.640 3.960 -0.005 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 0.637 121.856 121.223 -0.006 0.000 2.503 69 L HA 0.360 4.697 4.340 -0.005 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 0.541 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 2.078 121.983 119.914 -0.015 0.000 2.638 70 V HA 0.345 4.462 4.120 -0.005 0.000 0.306 70 V C 0.033 176.113 176.094 -0.023 0.000 1.052 70 V CA -0.886 61.404 62.300 -0.017 0.000 0.885 70 V CB 1.824 33.638 31.823 -0.016 0.000 0.999 70 V HN 0.641 nan 8.190 nan 0.000 0.424 71 R N 2.309 122.796 120.500 -0.022 0.000 2.538 71 R HA 0.391 4.728 4.340 -0.005 0.000 0.282 71 R C 1.358 177.639 176.300 -0.032 0.000 1.009 71 R CA 1.249 57.333 56.100 -0.027 0.000 1.063 71 R CB 0.169 30.456 30.300 -0.023 0.000 0.945 71 R HN 1.215 nan 8.270 nan 0.000 0.414 72 G N 1.762 110.536 108.800 -0.044 0.000 2.254 72 G HA2 -0.331 3.626 3.960 -0.005 0.000 0.225 72 G HA3 -0.331 3.626 3.960 -0.005 0.000 0.225 72 G C 0.266 175.134 174.900 -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 1.311 121.084 119.800 -0.046 0.000 2.394 73 Q HA 0.344 4.681 4.340 -0.005 0.000 0.303 73 Q C 0.352 176.315 176.000 -0.062 0.000 1.117 73 Q CA 0.770 56.547 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 1.486 121.854 120.400 -0.054 0.000 2.143 74 K HA 0.456 4.773 4.320 -0.005 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 1.458 33.931 32.500 -0.045 0.000 1.047 74 K HN 0.341 nan 8.250 nan 0.000 0.458 75 V N 4.139 123.996 119.914 -0.096 0.000 2.577 75 V HA 0.314 4.431 4.120 -0.005 0.000 0.303 75 V C -0.670 175.421 176.094 -0.006 0.000 1.042 75 V CA -0.879 61.386 62.300 -0.057 0.000 0.872 75 V CB 1.609 33.383 31.823 -0.081 0.000 0.998 75 V HN 0.628 nan 8.190 nan 0.000 0.423 76 L N 3.472 124.733 121.223 0.063 0.000 2.276 76 L HA 0.439 4.776 4.340 -0.005 0.000 0.286 76 L C -0.052 176.915 176.870 0.162 0.000 1.024 76 L CA -0.515 54.393 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 -0.005 0.000 0.263 77 D C 1.210 177.565 176.300 0.091 0.000 1.255 77 D CA 0.147 54.246 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 0.514 nan 8.370 nan 0.000 0.502 78 S N 2.746 118.492 115.700 0.077 0.000 2.660 78 S HA 0.091 4.558 4.470 -0.005 0.000 0.228 78 S C 1.688 176.317 174.600 0.047 0.000 0.966 78 S CA 0.200 58.436 58.200 0.061 0.000 0.940 78 S CB -0.670 62.566 63.200 0.061 0.000 0.773 78 S HN 0.882 nan 8.310 nan 0.000 0.535 79 G N 0.204 109.024 108.800 0.033 0.000 2.296 79 G HA2 0.052 4.009 3.960 -0.005 0.000 0.282 79 G HA3 0.052 4.009 3.960 -0.005 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 1.749 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 0.818 5.135 4.320 -0.005 0.000 0.292 80 A C -2.867 174.753 177.584 0.060 0.000 1.045 80 A CA -0.446 51.618 52.037 0.045 0.000 0.672 80 A CB 1.024 20.054 19.000 0.050 0.000 1.283 80 A HN 0.180 nan 8.150 nan 0.000 0.419 81 P HA 0.342 nan 4.420 nan 0.000 0.272 81 P C -0.153 177.187 177.300 0.066 0.000 1.254 81 P CA -0.128 63.040 63.100 0.114 0.000 0.795 81 P CB 0.226 32.036 31.700 0.183 0.000 1.022 82 I N 0.889 121.487 120.570 0.047 0.000 2.742 82 I HA -0.080 4.087 4.170 -0.005 0.000 0.287 82 I C 1.343 177.437 176.117 -0.037 0.000 1.186 82 I CA 0.959 62.253 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 7.542 128.019 120.500 -0.040 0.000 2.711 83 R HA 0.787 5.124 4.340 -0.005 0.000 0.284 83 R C -0.728 175.462 176.300 -0.183 0.000 0.968 83 R CA -0.928 55.140 56.100 -0.053 0.000 0.924 83 R CB 2.294 32.616 30.300 0.037 0.000 1.162 83 R HN 0.605 nan 8.270 nan 0.000 0.465 84 I N -1.747 118.688 120.570 -0.224 0.000 2.969 84 I HA 0.564 4.731 4.170 -0.005 0.000 0.307 84 I C -2.734 173.118 176.117 -0.442 0.000 1.149 84 I CA -3.328 57.755 61.300 -0.361 0.000 1.008 84 I CB 2.603 40.474 38.000 -0.214 0.000 1.232 84 I HN 0.294 nan 8.210 nan 0.000 0.435 85 P HA 0.147 nan 4.420 nan 0.000 0.267 85 P C -0.552 176.636 177.300 -0.186 0.000 1.209 85 P CA -0.015 62.888 63.100 -0.327 0.000 0.763 85 P CB 0.735 32.290 31.700 -0.242 0.000 0.816 86 V N 0.798 120.618 119.914 -0.156 0.000 2.960 86 V HA 1.022 5.139 4.120 -0.005 0.000 0.315 86 V C 0.280 176.004 176.094 -0.617 0.000 1.087 86 V CA -0.244 61.857 62.300 -0.332 0.000 0.982 86 V CB 1.371 33.022 31.823 -0.286 0.000 1.039 86 V HN 0.929 nan 8.190 nan 0.000 0.437 87 G N 2.696 110.835 108.800 -1.102 0.000 2.343 87 G HA2 0.086 4.043 3.960 -0.005 0.000 0.562 87 G HA3 0.086 4.043 3.960 -0.005 0.000 0.562 87 G C -2.717 172.031 174.900 -0.253 0.000 1.269 87 G CA -0.033 44.333 45.100 -1.223 0.000 1.011 87 G HN 0.597 nan 8.290 nan 0.000 0.498 88 P HA 0.015 nan 4.420 nan 0.000 0.216 88 P C 1.458 178.777 177.300 0.031 0.000 1.153 88 P CA 1.792 65.004 63.100 0.186 0.000 0.848 88 P CB 0.013 31.813 31.700 0.167 0.000 0.787 89 E N -0.323 119.876 120.200 -0.002 0.000 2.520 89 E HA -0.070 4.277 4.350 -0.005 0.000 0.201 89 E C 1.020 177.602 176.600 -0.031 0.000 1.122 89 E CA 1.191 57.581 56.400 -0.018 0.000 0.896 89 E CB -1.225 28.470 29.700 -0.009 0.000 0.891 89 E HN 0.380 nan 8.360 nan 0.000 0.533 90 T N -1.806 112.733 114.554 -0.025 0.000 3.023 90 T HA 0.143 4.490 4.350 -0.005 0.000 0.249 90 T C 1.124 175.805 174.700 -0.032 0.000 1.050 90 T CA -0.372 61.709 62.100 -0.031 0.000 1.088 90 T CB -0.288 68.565 68.868 -0.025 0.000 0.946 90 T HN 0.046 nan 8.240 nan 0.000 0.480 91 L N 2.336 123.529 121.223 -0.050 0.000 2.578 91 L HA 0.366 4.703 4.340 -0.005 0.000 0.279 91 L C 1.787 178.603 176.870 -0.090 0.000 1.227 91 L CA 1.092 55.854 54.840 -0.129 0.000 0.900 91 L CB -0.176 41.692 42.059 -0.320 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 3.726 3.960 -0.005 0.000 0.266 92 G HA3 -0.231 3.726 3.960 -0.005 0.000 0.266 92 G C 0.467 175.355 174.900 -0.021 0.000 0.978 92 G CA -0.249 44.832 45.100 -0.032 0.000 0.632 92 G HN 0.471 nan 8.290 nan 0.000 0.537 93 R N -0.057 120.410 120.500 -0.056 0.000 2.596 93 R HA 0.741 5.078 4.340 -0.005 0.000 0.267 93 R C 0.571 176.773 176.300 -0.163 0.000 1.026 93 R CA -0.887 55.162 56.100 -0.085 0.000 1.087 93 R CB 0.550 30.805 30.300 -0.074 0.000 1.132 93 R HN 0.358 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 -0.005 0.000 0.293 94 I C 0.361 176.343 176.117 -0.226 0.000 0.992 94 I CA -0.467 60.622 61.300 -0.350 0.000 1.149 94 I CB 1.549 39.219 38.000 -0.549 0.000 1.315 94 I HN 0.222 nan 8.210 nan 0.000 0.446 95 M N 5.435 124.916 119.600 -0.199 0.000 2.518 95 M HA 0.421 4.898 4.480 -0.005 0.000 0.300 95 M C -1.027 175.239 176.300 -0.057 0.000 1.175 95 M CA -0.526 54.706 55.300 -0.113 0.000 0.890 95 M CB 2.309 34.847 32.600 -0.104 0.000 1.710 95 M HN 0.634 nan 8.290 nan 0.000 0.453 96 N N 1.441 120.117 118.700 -0.039 0.000 2.229 96 N HA 0.097 4.834 4.740 -0.005 0.000 0.242 96 N C 0.640 176.141 175.510 -0.015 0.000 1.327 96 N CA 0.163 53.207 53.050 -0.010 0.000 0.896 96 N CB 0.786 39.257 38.487 -0.027 0.000 1.129 96 N HN 0.557 nan 8.380 nan 0.000 0.490 97 V N 0.529 120.439 119.914 -0.007 0.000 2.591 97 V HA -0.075 4.042 4.120 -0.005 0.000 0.249 97 V C 1.529 177.597 176.094 -0.043 0.000 1.053 97 V CA 1.398 63.690 62.300 -0.014 0.000 1.068 97 V CB -0.702 31.121 31.823 0.000 0.000 0.689 97 V HN 0.718 nan 8.190 nan 0.000 0.462 98 I N -0.949 119.592 120.570 -0.048 0.000 3.805 98 I HA 0.689 4.856 4.170 -0.005 0.000 0.337 98 I C 1.066 177.118 176.117 -0.109 0.000 1.539 98 I CA 0.052 61.311 61.300 -0.069 0.000 1.176 98 I CB -0.315 37.658 38.000 -0.044 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 -0.005 0.000 0.299 99 G HA3 -0.246 3.711 3.960 -0.005 0.000 0.299 99 G C -0.243 174.573 174.900 -0.140 0.000 1.014 99 G CA 0.191 45.200 45.100 -0.150 0.000 1.097 99 G HN 0.722 nan 8.290 nan 0.000 0.512 100 E N 0.207 120.351 120.200 -0.094 0.000 2.235 100 E HA 0.483 4.830 4.350 -0.005 0.000 0.265 100 E C -2.639 173.919 176.600 -0.070 0.000 0.940 100 E CA -2.311 54.044 56.400 -0.076 0.000 0.819 100 E CB 2.280 31.949 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 -0.022 177.244 177.300 -0.057 0.000 1.269 101 P CA -0.079 62.982 63.100 -0.066 0.000 0.787 101 P CB 0.245 31.914 31.700 -0.052 0.000 0.920 102 I N -0.544 119.979 120.570 -0.078 0.000 3.817 102 I HA 0.340 4.507 4.170 -0.005 0.000 0.325 102 I C -0.222 175.838 176.117 -0.095 0.000 1.550 102 I CA -0.270 60.993 61.300 -0.061 0.000 1.100 102 I CB 0.237 38.216 38.000 -0.035 0.000 1.216 102 I HN 0.023 nan 8.210 nan 0.000 0.481 103 D N -0.064 120.268 120.400 -0.113 0.000 2.469 103 D HA 0.032 4.669 4.640 -0.005 0.000 0.213 103 D C 0.453 176.742 176.300 -0.018 0.000 1.135 103 D CA -0.058 53.867 54.000 -0.125 0.000 0.834 103 D CB -0.063 40.619 40.800 -0.195 0.000 1.009 103 D HN 0.358 nan 8.370 nan 0.000 0.507 104 E N 0.159 120.349 120.200 -0.016 0.000 2.637 104 E HA -0.254 4.093 4.350 -0.005 0.000 0.265 104 E C 0.069 176.677 176.600 0.014 0.000 1.073 104 E CA 0.327 56.731 56.400 0.006 0.000 0.778 104 E CB -1.624 28.090 29.700 0.024 0.000 1.362 104 E HN 0.458 nan 8.360 nan 0.000 0.413 105 R N 0.301 120.804 120.500 0.005 0.000 2.702 105 R HA 0.286 4.623 4.340 -0.005 0.000 0.314 105 R C 0.926 177.228 176.300 0.002 0.000 1.152 105 R CA 0.451 56.557 56.100 0.011 0.000 1.097 105 R CB 0.691 30.999 30.300 0.014 0.000 1.343 105 R HN 0.369 nan 8.270 nan 0.000 0.575 106 G N 1.986 110.787 108.800 0.001 0.000 2.796 106 G HA2 -0.234 3.723 3.960 -0.005 0.000 0.226 106 G HA3 -0.234 3.723 3.960 -0.005 0.000 0.226 106 G C -2.491 172.406 174.900 -0.005 0.000 1.381 106 G CA -1.190 43.911 45.100 0.001 0.000 0.867 106 G HN 0.123 nan 8.290 nan 0.000 0.552 107 P HA 0.327 nan 4.420 nan 0.000 0.268 107 P C 0.300 177.598 177.300 -0.002 0.000 1.204 107 P CA 0.070 63.170 63.100 0.001 0.000 0.768 107 P CB 0.233 31.943 31.700 0.017 0.000 0.842 108 I N 2.783 123.344 120.570 -0.015 0.000 2.329 108 I HA 0.160 4.327 4.170 -0.005 0.000 0.295 108 I C 0.817 176.946 176.117 0.019 0.000 1.109 108 I CA -0.080 61.208 61.300 -0.020 0.000 1.297 108 I CB -0.269 37.697 38.000 -0.056 0.000 1.433 108 I HN 0.091 nan 8.210 nan 0.000 0.509 109 K N 5.932 126.349 120.400 0.029 0.000 2.244 109 K HA 0.283 4.600 4.320 -0.005 0.000 0.263 109 K C 0.140 176.773 176.600 0.056 0.000 1.103 109 K CA -0.318 56.004 56.287 0.058 0.000 0.966 109 K CB 0.852 33.375 32.500 0.038 0.000 1.429 109 K HN 0.675 nan 8.250 nan 0.000 0.434 110 T N -1.443 113.174 114.554 0.106 0.000 2.919 110 T HA 0.341 4.688 4.350 -0.005 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 1.575 70.474 68.868 0.051 0.000 1.180 110 T HN 0.280 nan 8.240 nan 0.000 0.566 111 K N -0.142 120.272 120.400 0.022 0.000 2.168 111 K HA 0.130 4.447 4.320 -0.005 0.000 0.201 111 K C 0.320 176.886 176.600 -0.057 0.000 1.049 111 K CA 0.442 56.714 56.287 -0.026 0.000 0.974 111 K CB -0.020 32.478 32.500 -0.004 0.000 0.792 111 K HN 0.464 nan 8.250 nan 0.000 0.463 112 Q N 0.201 120.021 119.800 0.032 0.000 2.222 112 Q HA 0.357 4.694 4.340 -0.005 0.000 0.252 112 Q C -0.933 175.280 176.000 0.355 0.000 0.926 112 Q CA -0.321 55.532 55.803 0.084 0.000 0.899 112 Q CB 0.895 29.694 28.738 0.102 0.000 1.250 112 Q HN -0.073 nan 8.270 nan 0.000 0.441 113 F N 0.470 120.399 119.950 -0.035 0.000 2.508 113 F HA 0.774 5.295 4.527 -0.009 0.000 0.325 113 F C -0.324 175.459 175.800 -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 2.029 124.906 122.820 0.095 0.000 2.357 114 A HA 0.767 5.084 4.320 -0.005 0.000 0.295 114 A C -0.563 177.027 177.584 0.011 0.000 1.121 114 A CA -0.681 51.387 52.037 0.051 0.000 0.742 114 A CB 0.705 19.721 19.000 0.027 0.000 1.181 114 A HN 0.942 nan 8.150 nan 0.000 0.454 115 A N 2.311 125.147 122.820 0.027 0.000 2.540 115 A HA 0.389 4.706 4.320 -0.005 0.000 0.239 115 A C 1.269 178.835 177.584 -0.031 0.000 1.061 115 A CA 0.317 52.358 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 1.655 nan 8.150 nan 0.000 0.502 116 I N -0.061 120.451 120.570 -0.097 0.000 2.439 116 I HA -0.036 4.131 4.170 -0.005 0.000 0.251 116 I C 0.241 176.240 176.117 -0.197 0.000 1.139 116 I CA 0.688 61.883 61.300 -0.175 0.000 1.438 116 I CB -0.422 37.417 38.000 -0.268 0.000 1.085 116 I HN 0.552 nan 8.210 nan 0.000 0.427 117 H N 3.310 122.385 119.070 0.008 0.000 3.067 117 H HA 0.642 5.193 4.556 -0.008 0.000 0.265 117 H C -0.215 175.117 175.328 0.007 0.000 1.234 117 H CA -0.028 56.026 56.048 0.009 0.000 1.452 117 H CB 0.513 30.281 29.762 0.010 0.000 1.527 117 H HN 0.440 nan 8.280 nan 0.000 0.486 118 A N 4.041 126.918 122.820 0.095 0.000 2.374 118 A HA 0.430 4.747 4.320 -0.005 0.000 0.317 118 A C 0.291 177.906 177.584 0.051 0.000 1.094 118 A CA -0.923 51.148 52.037 0.058 0.000 0.765 118 A CB 1.841 20.858 19.000 0.027 0.000 1.268 118 A HN 0.562 nan 8.150 nan 0.000 0.438 119 E N 0.317 120.540 120.200 0.038 0.000 2.385 119 E HA 0.543 4.890 4.350 -0.005 0.000 0.254 119 E C 0.093 176.708 176.600 0.026 0.000 1.228 119 E CA -0.311 56.108 56.400 0.032 0.000 0.956 119 E CB 0.939 30.655 29.700 0.026 0.000 1.116 119 E HN 0.730 nan 8.360 nan 0.000 0.507 120 A N 0.785 123.621 122.820 0.027 0.000 2.311 120 A HA 0.486 4.803 4.320 -0.005 0.000 0.334 120 A C -2.329 175.272 177.584 0.027 0.000 1.139 120 A CA -1.750 50.301 52.037 0.023 0.000 0.830 120 A CB 0.157 19.172 19.000 0.025 0.000 1.234 120 A HN 0.277 nan 8.150 nan 0.000 0.483 121 P HA -0.017 nan 4.420 nan 0.000 0.238 121 P C -0.263 177.060 177.300 0.040 0.000 1.090 121 P CA 0.579 63.690 63.100 0.017 0.000 0.944 121 P CB -0.111 31.590 31.700 0.001 0.000 0.881 122 E N 1.773 122.002 120.200 0.049 0.000 2.598 122 E HA -0.170 4.177 4.350 -0.005 0.000 0.273 122 E C 0.991 177.664 176.600 0.122 0.000 1.029 122 E CA 0.173 56.625 56.400 0.086 0.000 0.985 122 E CB 0.025 29.768 29.700 0.072 0.000 0.988 122 E HN 0.337 nan 8.360 nan 0.000 0.460 123 F N 2.450 122.399 119.950 -0.003 0.000 2.147 123 F HA -0.252 4.269 4.527 -0.009 0.000 0.301 123 F C 1.938 177.735 175.800 -0.005 0.000 1.084 123 F CA 1.909 59.907 58.000 -0.003 0.000 1.268 123 F CB -0.199 38.799 39.000 -0.003 0.000 1.009 123 F HN 0.331 nan 8.300 nan 0.000 0.486 124 V N -2.301 117.654 119.914 0.068 0.000 3.510 124 V HA -0.059 4.058 4.120 -0.005 0.000 0.270 124 V C 1.171 177.225 176.094 -0.066 0.000 1.201 124 V CA 1.593 63.876 62.300 -0.029 0.000 1.166 124 V CB -0.926 30.924 31.823 0.045 0.000 0.825 124 V HN 0.485 nan 8.190 nan 0.000 0.484 125 E N -0.680 119.483 120.200 -0.063 0.000 2.447 125 E HA 0.252 4.599 4.350 -0.005 0.000 0.204 125 E C 0.489 177.034 176.600 -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 29.699 29.700 -0.027 0.000 0.975 125 E HN 0.414 nan 8.360 nan 0.000 0.496 126 M N 1.886 121.399 119.600 -0.145 0.000 2.246 126 M HA 0.014 4.491 4.480 -0.005 0.000 0.327 126 M C 0.587 176.790 176.300 -0.163 0.000 1.090 126 M CA 0.059 55.257 55.300 -0.169 0.000 1.087 126 M CB 0.334 32.763 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 -0.005 0.000 0.274 127 S C 0.701 175.231 174.600 -0.115 0.000 1.281 127 S CA -0.925 57.215 58.200 -0.099 0.000 1.035 127 S CB 0.749 63.908 63.200 -0.070 0.000 0.962 127 S HN 0.480 nan 8.310 nan 0.000 0.512 128 V N 1.397 121.249 119.914 -0.103 0.000 3.647 128 V HA 0.413 4.530 4.120 -0.005 0.000 0.279 128 V C 0.432 176.488 176.094 -0.062 0.000 1.314 128 V CA 0.147 62.389 62.300 -0.097 0.000 1.125 128 V CB -1.459 30.309 31.823 -0.091 0.000 0.907 128 V HN 0.806 nan 8.190 nan 0.000 0.434 129 E N 0.119 120.287 120.200 -0.053 0.000 2.367 129 E HA 0.445 4.792 4.350 -0.005 0.000 0.273 129 E C -1.002 175.578 176.600 -0.033 0.000 0.903 129 E CA -0.817 55.560 56.400 -0.038 0.000 0.764 129 E CB 1.666 31.348 29.700 -0.031 0.000 1.252 129 E HN 0.144 nan 8.360 nan 0.000 0.446 130 Q N 1.967 121.751 119.800 -0.027 0.000 2.307 130 Q HA 0.246 4.583 4.340 -0.005 0.000 0.259 130 Q C -0.842 175.149 176.000 -0.015 0.000 0.998 130 Q CA 0.350 56.139 55.803 -0.022 0.000 0.923 130 Q CB 1.048 29.773 28.738 -0.023 0.000 1.196 130 Q HN 0.456 nan 8.270 nan 0.000 0.416 131 E N 1.996 122.189 120.200 -0.012 0.000 2.248 131 E HA 0.387 4.734 4.350 -0.005 0.000 0.267 131 E C -0.606 175.999 176.600 0.008 0.000 0.877 131 E CA -0.685 55.714 56.400 -0.000 0.000 0.759 131 E CB 2.412 32.108 29.700 -0.006 0.000 1.182 131 E HN 0.572 nan 8.360 nan 0.000 0.418 132 I N 3.494 124.081 120.570 0.028 0.000 2.575 132 I HA 0.214 4.381 4.170 -0.005 0.000 0.285 132 I C -0.969 175.172 176.117 0.041 0.000 1.085 132 I CA -0.449 60.879 61.300 0.047 0.000 1.403 132 I CB 0.497 38.544 38.000 0.078 0.000 1.409 132 I HN 0.477 nan 8.210 nan 0.000 0.557 133 L N 8.358 129.604 121.223 0.039 0.000 2.264 133 L HA 0.477 4.814 4.340 -0.005 0.000 0.289 133 L C -0.881 176.024 176.870 0.058 0.000 1.044 133 L CA -0.370 54.464 54.840 -0.010 0.000 0.807 133 L CB 1.345 43.364 42.059 -0.068 0.000 1.192 133 L HN 0.494 nan 8.230 nan 0.000 0.425 134 V N 4.429 124.433 119.914 0.150 0.000 2.546 134 V HA 0.284 4.401 4.120 -0.005 0.000 0.284 134 V C 1.132 177.330 176.094 0.174 0.000 1.050 134 V CA 0.401 62.777 62.300 0.127 0.000 0.981 134 V CB 1.246 33.126 31.823 0.095 0.000 0.990 134 V HN 0.981 nan 8.190 nan 0.000 0.474 135 T N -0.811 113.742 114.554 -0.002 0.000 2.971 135 T HA 0.319 4.666 4.350 -0.005 0.000 0.252 135 T C 1.319 175.971 174.700 -0.080 0.000 1.022 135 T CA 0.596 62.669 62.100 -0.045 0.000 0.980 135 T CB 0.661 69.415 68.868 -0.191 0.000 1.044 135 T HN 1.465 nan 8.240 nan 0.000 0.501 136 G N 1.829 110.586 108.800 -0.071 0.000 2.157 136 G HA2 -0.180 3.777 3.960 -0.005 0.000 0.248 136 G HA3 -0.180 3.777 3.960 -0.005 0.000 0.248 136 G C -0.019 174.847 174.900 -0.057 0.000 0.979 136 G CA -0.066 44.996 45.100 -0.064 0.000 0.650 136 G HN 0.634 nan 8.290 nan 0.000 0.529 137 I N 1.176 121.702 120.570 -0.074 0.000 2.307 137 I HA 0.202 4.369 4.170 -0.005 0.000 0.289 137 I C 1.682 177.778 176.117 -0.035 0.000 1.021 137 I CA -0.738 60.549 61.300 -0.022 0.000 1.224 137 I CB 1.169 39.160 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 -0.019 0.000 2.077 138 K HA -0.219 4.098 4.320 -0.005 0.000 0.213 138 K C 1.772 178.305 176.600 -0.110 0.000 1.051 138 K CA 1.788 58.041 56.287 -0.057 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 -0.401 119.466 119.914 -0.078 0.000 2.283 139 V HA -0.188 3.929 4.120 -0.005 0.000 0.243 139 V C 2.339 178.383 176.094 -0.083 0.000 1.039 139 V CA 1.428 63.665 62.300 -0.105 0.000 1.016 139 V CB -0.999 30.795 31.823 -0.048 0.000 0.650 139 V HN 0.007 nan 8.190 nan 0.000 0.449 140 V N 1.267 121.143 119.914 -0.064 0.000 2.231 140 V HA -0.296 3.821 4.120 -0.005 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 -0.099 0.000 1.015 140 V CB -0.949 30.729 31.823 -0.242 0.000 0.638 140 V HN 0.541 nan 8.190 nan 0.000 0.444 141 D N -0.442 119.900 120.400 -0.097 0.000 2.219 141 D HA -0.094 4.543 4.640 -0.005 0.000 0.205 141 D C 1.907 178.230 176.300 0.039 0.000 0.970 141 D CA 1.139 55.120 54.000 -0.032 0.000 0.851 141 D CB -0.030 40.745 40.800 -0.042 0.000 0.943 141 D HN 0.461 nan 8.370 nan 0.000 0.488 142 L N -0.617 120.582 121.223 -0.040 0.000 2.168 142 L HA 0.087 4.424 4.340 -0.005 0.000 0.203 142 L C 1.759 178.650 176.870 0.035 0.000 1.078 142 L CA 1.179 55.998 54.840 -0.035 0.000 0.780 142 L CB 0.014 41.900 42.059 -0.288 0.000 0.939 142 L HN -0.098 nan 8.230 nan 0.000 0.451 143 L N -0.550 120.644 121.223 -0.048 0.000 2.537 143 L HA 0.417 4.754 4.340 -0.005 0.000 0.224 143 L C 0.900 177.763 176.870 -0.011 0.000 1.065 143 L CA 0.433 55.245 54.840 -0.046 0.000 0.860 143 L CB 0.009 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 0.503 123.332 122.820 0.016 0.000 3.355 144 A HA 0.475 4.792 4.320 -0.005 0.000 0.290 144 A C -2.577 175.081 177.584 0.124 0.000 0.973 144 A CA -1.048 51.022 52.037 0.056 0.000 0.933 144 A CB -0.320 18.718 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 -0.336 177.101 177.300 0.228 0.000 1.183 145 P CA 0.632 63.802 63.100 0.117 0.000 0.761 145 P CB 0.095 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 4.895 4.550 -0.004 0.000 0.348 146 Y C 1.221 177.105 175.900 -0.027 0.000 1.280 146 Y CA -0.979 57.111 58.100 -0.017 0.000 1.504 146 Y CB -0.156 38.293 38.460 -0.019 0.000 1.366 146 Y HN 0.393 nan 8.280 nan 0.000 0.621 147 A N 1.632 124.509 122.820 0.094 0.000 2.386 147 A HA 0.541 4.858 4.320 -0.005 0.000 0.311 147 A C -0.599 176.982 177.584 -0.005 0.000 1.068 147 A CA -1.116 50.937 52.037 0.027 0.000 0.743 147 A CB 0.857 19.855 19.000 -0.004 0.000 1.258 147 A HN 0.663 nan 8.150 nan 0.000 0.429 148 K N 0.748 121.136 120.400 -0.021 0.000 2.451 148 K HA 0.391 4.708 4.320 -0.005 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 0.125 32.591 32.500 -0.056 0.000 0.917 148 K HN 1.720 nan 8.250 nan 0.000 0.478 149 G N 2.345 111.105 108.800 -0.065 0.000 2.212 149 G HA2 -0.269 3.688 3.960 -0.005 0.000 0.266 149 G HA3 -0.269 3.688 3.960 -0.005 0.000 0.266 149 G C 0.510 175.372 174.900 -0.063 0.000 0.978 149 G CA 0.105 45.168 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 0.567 4.524 3.960 -0.005 0.000 0.271 150 G HA3 0.567 4.524 3.960 -0.005 0.000 0.271 150 G C -0.249 174.583 174.900 -0.113 0.000 1.236 150 G CA -0.057 44.998 45.100 -0.074 0.000 0.958 150 G HN 0.474 nan 8.290 nan 0.000 0.512 151 K N -0.783 119.547 120.400 -0.117 0.000 2.345 151 K HA 0.573 4.890 4.320 -0.005 0.000 0.255 151 K C -1.019 175.463 176.600 -0.195 0.000 0.934 151 K CA -0.318 55.880 56.287 -0.148 0.000 0.801 151 K CB 2.243 34.682 32.500 -0.101 0.000 1.137 151 K HN 0.233 nan 8.250 nan 0.000 0.424 152 I N 1.213 121.629 120.570 -0.255 0.000 2.433 152 I HA 0.381 4.548 4.170 -0.005 0.000 0.292 152 I C 0.373 176.396 176.117 -0.157 0.000 1.001 152 I CA -0.393 60.729 61.300 -0.297 0.000 1.119 152 I CB 2.229 39.858 38.000 -0.617 0.000 1.289 152 I HN 0.680 nan 8.210 nan 0.000 0.438 153 G N 6.083 114.825 108.800 -0.096 0.000 2.393 153 G HA2 0.484 4.441 3.960 -0.005 0.000 0.311 153 G HA3 0.484 4.441 3.960 -0.005 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 0.093 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 0.661 4.998 4.340 -0.005 0.000 0.288 154 L C -1.119 175.989 176.870 0.398 0.000 1.051 154 L CA -0.829 54.190 54.840 0.298 0.000 0.824 154 L CB -0.125 42.068 42.059 0.222 0.000 1.206 154 L HN 0.260 nan 8.230 nan 0.000 0.429 155 F N 3.390 123.375 119.950 0.058 0.000 2.408 155 F HA 0.870 5.393 4.527 -0.006 0.000 0.325 155 F C 1.088 176.926 175.800 0.063 0.000 1.082 155 F CA -0.651 57.386 58.000 0.062 0.000 1.032 155 F CB 1.156 40.190 39.000 0.057 0.000 1.259 155 F HN 0.754 nan 8.300 nan 0.000 0.503 156 G N -0.005 108.934 108.800 0.232 0.000 2.692 156 G HA2 0.393 4.350 3.960 -0.005 0.000 0.686 156 G HA3 0.393 4.350 3.960 -0.005 0.000 0.686 156 G C -0.176 174.794 174.900 0.116 0.000 1.243 156 G CA -0.520 44.667 45.100 0.145 0.000 0.782 156 G HN 1.193 nan 8.290 nan 0.000 0.625 157 G N 0.192 109.046 108.800 0.090 0.000 2.844 157 G HA2 0.899 4.856 3.960 -0.005 0.000 0.204 157 G HA3 0.899 4.856 3.960 -0.005 0.000 0.204 157 G C 0.719 175.663 174.900 0.073 0.000 1.815 157 G CA 1.058 46.208 45.100 0.084 0.000 0.739 157 G HN 2.224 nan 8.290 nan 0.000 0.807 158 A N -1.276 121.581 122.820 0.061 0.000 2.286 158 A HA 0.582 4.899 4.320 -0.005 0.000 0.286 158 A C 1.513 179.130 177.584 0.054 0.000 1.097 158 A CA 0.906 52.976 52.037 0.054 0.000 0.821 158 A CB 0.160 19.187 19.000 0.045 0.000 1.076 158 A HN 2.339 nan 8.150 nan 0.000 0.490 159 G N -0.873 107.961 108.800 0.057 0.000 2.507 159 G HA2 -0.212 3.745 3.960 -0.005 0.000 0.240 159 G HA3 -0.212 3.745 3.960 -0.005 0.000 0.240 159 G C 0.589 175.545 174.900 0.093 0.000 1.119 159 G CA 0.879 46.019 45.100 0.067 0.000 0.664 159 G HN 2.186 nan 8.290 nan 0.000 0.516 160 V N -0.172 119.782 119.914 0.066 0.000 2.498 160 V HA 0.726 4.843 4.120 -0.005 0.000 0.279 160 V C 1.624 177.776 176.094 0.097 0.000 1.048 160 V CA 0.186 62.513 62.300 0.045 0.000 0.967 160 V CB 1.040 32.870 31.823 0.011 0.000 0.988 160 V HN 1.341 nan 8.190 nan 0.000 0.473 161 G N 2.617 111.513 108.800 0.160 0.000 3.241 161 G HA2 -0.171 3.786 3.960 -0.005 0.000 0.199 161 G HA3 -0.171 3.786 3.960 -0.005 0.000 0.199 161 G C 1.125 176.101 174.900 0.127 0.000 1.210 161 G CA 0.647 45.845 45.100 0.164 0.000 1.182 161 G HN 0.927 nan 8.290 nan 0.000 0.508 162 K N 0.510 120.974 120.400 0.107 0.000 2.032 162 K HA -0.261 4.056 4.320 -0.005 0.000 0.218 162 K C 2.724 179.376 176.600 0.087 0.000 1.054 162 K CA 2.254 58.606 56.287 0.108 0.000 0.941 162 K CB -0.585 31.974 32.500 0.099 0.000 0.720 162 K HN 0.496 nan 8.250 nan 0.000 0.449 163 T N -1.760 112.825 114.554 0.052 0.000 2.962 163 T HA -0.039 4.308 4.350 -0.005 0.000 0.270 163 T C 1.959 176.668 174.700 0.016 0.000 1.088 163 T CA 1.121 63.227 62.100 0.009 0.000 1.127 163 T CB -0.013 68.844 68.868 -0.019 0.000 0.883 163 T HN 0.048 nan 8.240 nan 0.000 0.493 164 V N 0.561 120.511 119.914 0.061 0.000 2.649 164 V HA 0.126 4.243 4.120 -0.005 0.000 0.248 164 V C 2.379 178.620 176.094 0.245 0.000 1.054 164 V CA 0.973 63.340 62.300 0.111 0.000 1.073 164 V CB -0.105 31.757 31.823 0.066 0.000 0.699 164 V HN 0.431 nan 8.190 nan 0.000 0.463 165 L N -0.258 121.129 121.223 0.274 0.000 2.109 165 L HA 0.001 4.339 4.340 -0.005 0.000 0.207 165 L C 2.044 179.010 176.870 0.160 0.000 1.086 165 L CA 1.837 56.880 54.840 0.337 0.000 0.760 165 L CB -0.409 41.835 42.059 0.308 0.000 0.910 165 L HN 0.211 nan 8.230 nan 0.000 0.437 166 I N -1.253 119.357 120.570 0.067 0.000 2.394 166 I HA -0.288 3.879 4.170 -0.005 0.000 0.251 166 I C 2.278 178.340 176.117 -0.093 0.000 1.136 166 I CA 1.265 62.495 61.300 -0.118 0.000 1.425 166 I CB -0.135 37.661 38.000 -0.340 0.000 1.079 166 I HN 0.307 nan 8.210 nan 0.000 0.425 167 M N -0.369 119.210 119.600 -0.035 0.000 2.349 167 M HA -0.142 4.335 4.480 -0.005 0.000 0.266 167 M C 2.111 178.407 176.300 -0.007 0.000 1.076 167 M CA 1.212 56.505 55.300 -0.013 0.000 1.126 167 M CB -0.119 32.477 32.600 -0.006 0.000 1.392 167 M HN 0.083 nan 8.290 nan 0.000 0.440 168 E N 1.143 121.302 120.200 -0.068 0.000 2.046 168 E HA -0.100 4.247 4.350 -0.005 0.000 0.190 168 E C 1.795 178.295 176.600 -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 -0.924 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 -0.251 4.086 4.340 -0.005 0.000 0.213 169 L C 2.513 179.468 176.870 0.143 0.000 1.072 169 L CA 1.491 56.385 54.840 0.089 0.000 0.755 169 L CB -0.600 41.646 42.059 0.311 0.000 0.889 169 L HN 0.260 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 3.758 4.170 -0.005 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 -0.542 37.572 38.000 0.189 0.000 1.023 170 I HN 0.386 nan 8.210 nan 0.000 0.399 171 N N 1.304 120.035 118.700 0.052 0.000 2.011 171 N HA -0.251 4.486 4.740 -0.005 0.000 0.199 171 N C 1.494 177.005 175.510 0.000 0.000 1.047 171 N CA 2.237 55.298 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 -0.472 118.208 118.700 -0.033 0.000 2.348 172 N HA -0.109 4.628 4.740 -0.005 0.000 0.185 172 N C 1.468 176.983 175.510 0.007 0.000 1.019 172 N CA 0.540 53.562 53.050 -0.046 0.000 0.880 172 N CB -0.308 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 0.616 120.575 119.914 0.074 0.000 2.407 173 V HA -0.048 4.069 4.120 -0.005 0.000 0.245 173 V C 2.247 178.386 176.094 0.076 0.000 1.041 173 V CA 1.444 63.838 62.300 0.157 0.000 1.040 173 V CB -0.747 31.161 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 0.040 0.000 1.865 174 A HA -0.268 4.049 4.320 -0.005 0.000 0.217 174 A C 2.182 179.743 177.584 -0.038 0.000 1.191 174 A CA 2.293 54.329 52.037 -0.003 0.000 0.623 174 A CB -0.524 18.501 19.000 0.042 0.000 0.826 174 A HN 0.438 nan 8.150 nan 0.000 0.444 175 K N -0.167 120.209 120.400 -0.040 0.000 1.965 175 K HA -0.006 4.311 4.320 -0.005 0.000 0.218 175 K C 2.104 178.628 176.600 -0.128 0.000 1.048 175 K CA 1.846 58.091 56.287 -0.070 0.000 0.960 175 K CB -0.786 31.673 32.500 -0.069 0.000 0.732 175 K HN 0.394 nan 8.250 nan 0.000 0.444 176 A N -0.047 122.640 122.820 -0.223 0.000 2.209 176 A HA -0.081 4.236 4.320 -0.005 0.000 0.212 176 A C 0.761 178.015 177.584 -0.549 0.000 1.158 176 A CA 1.234 53.018 52.037 -0.422 0.000 0.742 176 A CB -0.354 18.292 19.000 -0.590 0.000 0.790 176 A HN 0.429 nan 8.150 nan 0.000 0.472 177 H N -2.392 116.644 119.070 -0.056 0.000 3.367 177 H HA 0.221 4.775 4.556 -0.004 0.000 0.257 177 H C 1.428 176.696 175.328 -0.100 0.000 1.201 177 H CA 0.237 56.246 56.048 -0.064 0.000 1.102 177 H CB 0.016 29.747 29.762 -0.053 0.000 1.656 177 H HN 0.537 nan 8.280 nan 0.000 0.662 178 G N 1.651 110.425 108.800 -0.043 0.000 2.269 178 G HA2 -0.272 3.685 3.960 -0.005 0.000 0.277 178 G HA3 -0.272 3.685 3.960 -0.005 0.000 0.277 178 G C 0.728 175.461 174.900 -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 -1.331 107.370 108.800 -0.165 0.000 2.389 179 G HA2 0.612 4.569 3.960 -0.005 0.000 0.317 179 G HA3 0.612 4.569 3.960 -0.005 0.000 0.317 179 G C -0.423 174.345 174.900 -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 -0.052 120.183 120.300 -0.107 0.000 2.480 180 Y HA 0.641 5.188 4.550 -0.006 0.000 0.323 180 Y C 0.895 176.750 175.900 -0.074 0.000 1.267 180 Y CA -1.070 56.926 58.100 -0.174 0.000 1.336 180 Y CB 1.930 40.080 38.460 -0.518 0.000 1.361 180 Y HN 0.474 nan 8.280 nan 0.000 0.518 181 S N -0.193 115.610 115.700 0.172 0.000 2.570 181 S HA 0.773 5.240 4.470 -0.005 0.000 0.286 181 S C -1.252 173.468 174.600 0.200 0.000 1.099 181 S CA -0.915 57.393 58.200 0.181 0.000 0.913 181 S CB 1.880 65.238 63.200 0.262 0.000 1.085 181 S HN 0.300 nan 8.310 nan 0.000 0.480 182 V N 1.585 121.636 119.914 0.227 0.000 2.769 182 V HA 0.684 4.801 4.120 -0.005 0.000 0.312 182 V C -1.212 175.096 176.094 0.357 0.000 1.058 182 V CA -0.803 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 2.278 122.322 119.950 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 0.195 0.000 0.940 183 F CB 1.186 40.275 39.000 0.149 0.000 1.194 183 F HN 0.649 nan 8.300 nan 0.000 0.438 184 A N 4.290 126.957 122.820 -0.254 0.000 2.258 184 A HA 0.670 4.987 4.320 -0.005 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 0.319 19.264 19.000 -0.092 0.000 1.170 184 A HN 1.061 nan 8.150 nan 0.000 0.520 185 G N 1.704 110.606 108.800 0.169 0.000 2.475 185 G HA2 0.487 4.444 3.960 -0.005 0.000 0.322 185 G HA3 0.487 4.444 3.960 -0.005 0.000 0.322 185 G C -0.453 174.489 174.900 0.070 0.000 1.044 185 G CA -0.211 44.986 45.100 0.161 0.000 1.047 185 G HN 0.674 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 -0.005 0.000 0.264 186 V C 1.215 177.329 176.094 0.034 0.000 1.049 186 V CA 0.467 62.793 62.300 0.043 0.000 0.896 186 V CB 0.480 32.344 31.823 0.068 0.000 1.025 186 V HN 1.326 nan 8.190 nan 0.000 0.475 187 G N 3.397 112.208 108.800 0.020 0.000 2.324 187 G HA2 -0.182 3.775 3.960 -0.005 0.000 0.292 187 G HA3 -0.182 3.775 3.960 -0.005 0.000 0.292 187 G C -0.058 174.829 174.900 -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 -0.005 0.000 0.272 188 E C 0.966 177.498 176.600 -0.112 0.000 1.036 188 E CA -0.506 55.825 56.400 -0.114 0.000 0.864 188 E CB 0.619 30.135 29.700 -0.307 0.000 1.035 188 E HN 0.507 nan 8.360 nan 0.000 0.408 189 R N 1.946 122.394 120.500 -0.086 0.000 2.296 189 R HA 0.098 4.435 4.340 -0.005 0.000 0.323 189 R C 1.265 177.517 176.300 -0.081 0.000 1.067 189 R CA -0.133 55.929 56.100 -0.063 0.000 0.946 189 R CB 0.146 30.424 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 -0.310 4.037 4.350 -0.005 0.000 0.267 190 T C 1.767 176.454 174.700 -0.021 0.000 1.032 190 T CA 1.898 63.967 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 0.836 121.330 120.500 -0.009 0.000 2.080 191 R HA -0.118 4.219 4.340 -0.005 0.000 0.236 191 R C 2.344 178.654 176.300 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 -0.005 0.000 0.195 192 E C 1.773 178.362 176.600 -0.018 0.000 0.995 192 E CA 0.899 57.295 56.400 -0.006 0.000 0.836 192 E CB 0.007 29.698 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 -0.005 0.000 0.213 193 G HA3 -0.315 3.642 3.960 -0.005 0.000 0.213 193 G C 1.363 176.382 174.900 0.199 0.000 1.189 193 G CA 0.821 45.866 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 4.603 4.740 -0.005 0.000 0.188 194 N C 1.495 177.218 175.510 0.354 0.000 1.013 194 N CA 1.762 55.002 53.050 0.317 0.000 0.863 194 N CB -0.205 38.427 38.487 0.242 0.000 0.990 194 N HN 0.191 nan 8.380 nan 0.000 0.430 195 D N -0.776 119.744 120.400 0.200 0.000 2.234 195 D HA -0.039 4.598 4.640 -0.005 0.000 0.205 195 D C 1.630 178.011 176.300 0.135 0.000 0.962 195 D CA 0.271 54.363 54.000 0.154 0.000 0.855 195 D CB -0.021 40.827 40.800 0.080 0.000 0.951 195 D HN 0.267 nan 8.370 nan 0.000 0.500 196 L N -0.354 120.940 121.223 0.119 0.000 2.095 196 L HA -0.047 4.290 4.340 -0.005 0.000 0.204 196 L C 1.893 178.815 176.870 0.087 0.000 1.080 196 L CA 1.313 56.175 54.840 0.038 0.000 0.759 196 L CB -0.737 41.286 42.059 -0.061 0.000 0.914 196 L HN 0.010 nan 8.230 nan 0.000 0.439 197 Y N 0.724 121.026 120.300 0.003 0.000 2.014 197 Y HA -0.342 4.205 4.550 -0.004 0.000 0.270 197 Y C 2.715 178.536 175.900 -0.131 0.000 1.145 197 Y CA 2.398 60.444 58.100 -0.089 0.000 1.106 197 Y CB -1.073 37.335 38.460 -0.086 0.000 0.968 197 Y HN 0.433 nan 8.280 nan 0.000 0.484 198 H N -0.514 118.493 119.070 -0.105 0.000 2.457 198 H HA -0.114 4.439 4.556 -0.005 0.000 0.297 198 H C 2.182 177.463 175.328 -0.078 0.000 1.092 198 H CA 1.640 57.577 56.048 -0.185 0.000 1.309 198 H CB -0.085 29.621 29.762 -0.092 0.000 1.382 198 H HN 0.528 nan 8.280 nan 0.000 0.535 199 E N -0.125 120.119 120.200 0.073 0.000 2.216 199 E HA -0.095 4.252 4.350 -0.005 0.000 0.192 199 E C 1.747 178.366 176.600 0.033 0.000 0.988 199 E CA 0.443 56.884 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 -0.003 119.586 119.600 -0.018 0.000 2.193 200 M HA -0.058 4.419 4.480 -0.005 0.000 0.265 200 M C 2.138 178.417 176.300 -0.035 0.000 1.071 200 M CA 0.939 56.222 55.300 -0.028 0.000 1.140 200 M CB -0.027 32.545 32.600 -0.047 0.000 1.369 200 M HN 0.154 nan 8.290 nan 0.000 0.423 201 I N 0.497 121.006 120.570 -0.102 0.000 2.091 201 I HA -0.336 3.831 4.170 -0.005 0.000 0.239 201 I C 2.128 178.215 176.117 -0.051 0.000 1.061 201 I CA 1.693 62.914 61.300 -0.132 0.000 1.317 201 I CB -0.430 37.393 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 -0.005 0.000 0.196 202 E C 1.873 178.509 176.600 0.061 0.000 0.993 202 E CA 1.556 57.973 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 0.527 nan 8.360 nan 0.000 0.477 203 S N -1.417 114.335 115.700 0.086 0.000 2.577 203 S HA 0.282 4.749 4.470 -0.005 0.000 0.219 203 S C 1.508 176.139 174.600 0.052 0.000 0.962 203 S CA 0.300 58.564 58.200 0.108 0.000 0.921 203 S CB 0.729 64.006 63.200 0.128 0.000 0.789 203 S HN 0.367 nan 8.310 nan 0.000 0.497 204 G N 1.589 110.400 108.800 0.020 0.000 2.458 204 G HA2 -0.446 3.511 3.960 -0.005 0.000 0.237 204 G HA3 -0.446 3.511 3.960 -0.005 0.000 0.237 204 G C 1.188 176.089 174.900 0.002 0.000 1.113 204 G CA 0.684 45.787 45.100 0.005 0.000 0.655 204 G HN 1.459 nan 8.290 nan 0.000 0.513 205 V N -0.877 119.043 119.914 0.011 0.000 2.481 205 V HA -0.044 4.073 4.120 -0.005 0.000 0.263 205 V C 1.422 177.515 176.094 -0.002 0.000 1.108 205 V CA 2.238 64.545 62.300 0.013 0.000 1.113 205 V CB -0.631 31.204 31.823 0.020 0.000 0.684 205 V HN 0.675 nan 8.190 nan 0.000 0.467 206 I N 0.902 121.461 120.570 -0.019 0.000 2.474 206 I HA 0.499 4.666 4.170 -0.005 0.000 0.294 206 I C -0.184 175.909 176.117 -0.040 0.000 1.005 206 I CA -0.216 61.067 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 5.800 124.479 118.700 -0.034 0.000 2.461 207 N HA 0.343 5.080 4.740 -0.005 0.000 0.284 207 N C 0.044 175.536 175.510 -0.030 0.000 1.049 207 N CA -0.334 52.696 53.050 -0.033 0.000 0.889 207 N CB 1.961 40.436 38.487 -0.021 0.000 1.365 207 N HN 0.540 nan 8.380 nan 0.000 0.499 208 L N 2.910 124.110 121.223 -0.037 0.000 2.341 208 L HA 0.111 4.448 4.340 -0.005 0.000 0.214 208 L C 2.095 178.957 176.870 -0.014 0.000 1.115 208 L CA 0.892 55.718 54.840 -0.024 0.000 0.820 208 L CB 0.148 42.185 42.059 -0.036 0.000 0.944 208 L HN 0.411 nan 8.230 nan 0.000 0.452 209 K N -0.362 120.028 120.400 -0.016 0.000 2.067 209 K HA -0.056 4.261 4.320 -0.005 0.000 0.203 209 K C 0.805 177.401 176.600 -0.007 0.000 1.048 209 K CA 1.116 57.397 56.287 -0.010 0.000 0.954 209 K CB 0.138 32.632 32.500 -0.011 0.000 0.737 209 K HN 0.382 nan 8.250 nan 0.000 0.444 210 D N -1.451 118.944 120.400 -0.008 0.000 2.443 210 D HA 0.230 4.867 4.640 -0.005 0.000 0.249 210 D C -0.440 175.855 176.300 -0.007 0.000 1.218 210 D CA -0.606 53.391 54.000 -0.005 0.000 1.108 210 D CB 0.207 41.006 40.800 -0.002 0.000 1.197 210 D HN -0.068 nan 8.370 nan 0.000 0.600 211 A N -0.902 121.915 122.820 -0.005 0.000 2.806 211 A HA 0.433 4.750 4.320 -0.005 0.000 0.266 211 A C 0.317 177.896 177.584 -0.009 0.000 0.926 211 A CA 0.090 52.121 52.037 -0.010 0.000 1.068 211 A CB -0.592 18.408 19.000 -0.001 0.000 1.189 211 A HN 0.547 nan 8.150 nan 0.000 0.481 212 T N -2.247 112.302 114.554 -0.009 0.000 3.174 212 T HA 0.232 4.579 4.350 -0.005 0.000 0.269 212 T C 0.409 175.104 174.700 -0.008 0.000 1.017 212 T CA 0.279 62.382 62.100 0.005 0.000 0.899 212 T CB -0.456 68.420 68.868 0.013 0.000 1.077 212 T HN 0.241 nan 8.240 nan 0.000 0.552 213 S N 2.197 117.872 115.700 -0.042 0.000 2.533 213 S HA 0.237 4.704 4.470 -0.005 0.000 0.282 213 S C 0.592 175.141 174.600 -0.084 0.000 1.304 213 S CA -0.689 57.478 58.200 -0.054 0.000 1.063 213 S CB 0.881 64.041 63.200 -0.066 0.000 0.881 213 S HN 0.528 nan 8.310 nan 0.000 0.493 214 K N 0.865 121.250 120.400 -0.024 0.000 2.399 214 K HA 0.289 4.606 4.320 -0.005 0.000 0.204 214 K C -0.672 175.935 176.600 0.011 0.000 1.023 214 K CA -0.053 56.248 56.287 0.024 0.000 1.127 214 K CB 0.216 32.788 32.500 0.120 0.000 0.856 214 K HN 0.444 nan 8.250 nan 0.000 0.514 215 V N -0.113 119.784 119.914 -0.028 0.000 2.888 215 V HA 0.665 4.782 4.120 -0.005 0.000 0.309 215 V C -1.005 175.082 176.094 -0.011 0.000 1.114 215 V CA -1.465 60.848 62.300 0.023 0.000 0.940 215 V CB 1.769 33.634 31.823 0.070 0.000 1.021 215 V HN 0.080 nan 8.190 nan 0.000 0.426 216 A N 4.176 127.015 122.820 0.031 0.000 2.318 216 A HA 0.909 5.226 4.320 -0.005 0.000 0.324 216 A C -0.832 176.767 177.584 0.026 0.000 1.170 216 A CA -0.588 51.456 52.037 0.011 0.000 0.810 216 A CB 0.938 19.967 19.000 0.047 0.000 1.198 216 A HN 0.845 nan 8.150 nan 0.000 0.484 217 L N 2.885 124.061 121.223 -0.078 0.000 2.307 217 L HA 0.551 4.888 4.340 -0.005 0.000 0.284 217 L C -0.826 175.924 176.870 -0.200 0.000 1.023 217 L CA -0.885 53.870 54.840 -0.143 0.000 0.810 217 L CB 1.652 43.464 42.059 -0.412 0.000 1.231 217 L HN 0.410 nan 8.230 nan 0.000 0.423 218 V N 3.152 123.045 119.914 -0.035 0.000 2.448 218 V HA 0.434 4.551 4.120 -0.005 0.000 0.295 218 V C -0.875 175.342 176.094 0.204 0.000 1.025 218 V CA -0.619 61.683 62.300 0.005 0.000 0.859 218 V CB 1.696 33.537 31.823 0.031 0.000 0.988 218 V HN 0.374 nan 8.190 nan 0.000 0.431 219 Y N 1.978 122.302 120.300 0.040 0.000 2.393 219 Y HA 0.733 5.280 4.550 -0.006 0.000 0.341 219 Y C 0.657 176.573 175.900 0.026 0.000 0.988 219 Y CA -1.701 56.428 58.100 0.050 0.000 1.078 219 Y CB 2.445 40.922 38.460 0.028 0.000 1.203 219 Y HN 0.653 nan 8.280 nan 0.000 0.453 220 G N 3.573 112.472 108.800 0.164 0.000 3.678 220 G HA2 0.374 4.331 3.960 -0.005 0.000 0.344 220 G HA3 0.374 4.331 3.960 -0.005 0.000 0.344 220 G C -0.591 174.321 174.900 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 0.760 120.562 119.800 0.004 0.000 2.474 221 Q HA 0.175 4.512 4.340 -0.005 0.000 0.256 221 Q C 1.705 177.694 176.000 -0.019 0.000 1.048 221 Q CA 0.129 55.910 55.803 -0.036 0.000 0.922 221 Q CB 1.141 29.862 28.738 -0.027 0.000 1.288 221 Q HN 0.537 nan 8.270 nan 0.000 0.484 222 M N 1.217 120.800 119.600 -0.029 0.000 2.446 222 M HA -0.170 4.307 4.480 -0.005 0.000 0.263 222 M C 0.832 177.125 176.300 -0.012 0.000 1.066 222 M CA 1.270 56.559 55.300 -0.019 0.000 1.087 222 M CB -0.203 32.384 32.600 -0.022 0.000 1.406 222 M HN 0.607 nan 8.290 nan 0.000 0.459 223 N N -0.267 118.428 118.700 -0.009 0.000 2.416 223 N HA -0.018 4.719 4.740 -0.005 0.000 0.177 223 N C 0.034 175.543 175.510 -0.001 0.000 1.036 223 N CA 0.107 53.154 53.050 -0.005 0.000 0.901 223 N CB -0.022 38.464 38.487 -0.002 0.000 0.976 223 N HN 0.455 nan 8.380 nan 0.000 0.444 224 E N 1.983 122.184 120.200 0.001 0.000 2.418 224 E HA 0.097 4.444 4.350 -0.005 0.000 0.261 224 E C -2.228 174.374 176.600 0.002 0.000 1.070 224 E CA -1.622 54.781 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 -0.003 nan 4.420 nan 0.000 0.272 225 P C -2.160 175.139 177.300 -0.002 0.000 1.230 225 P CA -1.179 61.921 63.100 0.000 0.000 0.788 225 P CB -0.033 31.669 31.700 0.003 0.000 0.949 226 P HA -0.273 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 2.447 65.536 63.100 -0.018 0.000 0.922 226 P CB -0.870 30.815 31.700 -0.025 0.000 0.794 227 G N -0.264 108.536 108.800 -0.000 0.000 2.469 227 G HA2 -0.280 3.677 3.960 -0.005 0.000 0.220 227 G HA3 -0.280 3.677 3.960 -0.005 0.000 0.220 227 G C 1.731 176.646 174.900 0.025 0.000 1.136 227 G CA 1.391 46.500 45.100 0.014 0.000 0.759 227 G HN 0.444 nan 8.290 nan 0.000 0.562 228 A N 0.855 123.688 122.820 0.021 0.000 1.872 228 A HA 0.067 4.384 4.320 -0.005 0.000 0.214 228 A C 2.405 180.009 177.584 0.033 0.000 1.187 228 A CA 1.329 53.381 52.037 0.025 0.000 0.614 228 A CB -0.287 18.726 19.000 0.020 0.000 0.826 228 A HN 0.362 nan 8.150 nan 0.000 0.442 229 R N -0.165 120.351 120.500 0.026 0.000 2.280 229 R HA 0.109 4.446 4.340 -0.005 0.000 0.207 229 R C 2.064 178.399 176.300 0.057 0.000 1.043 229 R CA 0.701 56.822 56.100 0.036 0.000 1.006 229 R CB -0.298 30.011 30.300 0.016 0.000 0.885 229 R HN 0.503 nan 8.270 nan 0.000 0.467 230 A N 1.251 124.094 122.820 0.039 0.000 1.874 230 A HA -0.034 4.283 4.320 -0.005 0.000 0.214 230 A C 1.946 179.614 177.584 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 -0.005 120.555 120.500 0.099 0.000 2.140 231 R HA -0.018 4.319 4.340 -0.005 0.000 0.213 231 R C 2.127 178.456 176.300 0.048 0.000 1.059 231 R CA 1.355 57.503 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 -0.413 119.529 119.914 0.047 0.000 2.511 232 V HA -0.205 3.912 4.120 -0.005 0.000 0.257 232 V C 2.154 178.255 176.094 0.011 0.000 1.088 232 V CA 2.004 64.322 62.300 0.030 0.000 1.098 232 V CB -1.148 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 0.142 122.974 122.820 0.019 0.000 2.067 233 A HA 0.202 4.519 4.320 -0.005 0.000 0.217 233 A C 2.163 179.685 177.584 -0.104 0.000 1.156 233 A CA 1.432 53.418 52.037 -0.085 0.000 0.683 233 A CB -0.402 18.461 19.000 -0.229 0.000 0.808 233 A HN 0.589 nan 8.150 nan 0.000 0.455 234 L N -1.199 119.989 121.223 -0.058 0.000 2.044 234 L HA -0.121 4.216 4.340 -0.005 0.000 0.205 234 L C 2.745 179.563 176.870 -0.086 0.000 1.075 234 L CA 1.665 56.458 54.840 -0.079 0.000 0.747 234 L CB -1.189 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 4.139 4.350 -0.005 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 68.218 68.868 -0.057 0.000 0.862 235 T HN 0.597 nan 8.240 nan 0.000 0.441 236 G N 1.010 109.788 108.800 -0.038 0.000 2.440 236 G HA2 -0.163 3.794 3.960 -0.005 0.000 0.218 236 G HA3 -0.163 3.794 3.960 -0.005 0.000 0.218 236 G C 1.504 176.392 174.900 -0.019 0.000 1.154 236 G CA 0.717 45.806 45.100 -0.017 0.000 0.767 236 G HN 0.385 nan 8.290 nan 0.000 0.552 237 L N 0.999 122.191 121.223 -0.050 0.000 2.012 237 L HA -0.036 4.301 4.340 -0.005 0.000 0.210 237 L C 3.011 179.867 176.870 -0.024 0.000 1.073 237 L CA 2.426 57.236 54.840 -0.049 0.000 0.748 237 L CB -1.135 40.877 42.059 -0.077 0.000 0.891 237 L HN 0.197 nan 8.230 nan 0.000 0.431 238 T N -1.124 113.409 114.554 -0.035 0.000 2.635 238 T HA -0.222 4.125 4.350 -0.005 0.000 0.267 238 T C 1.971 176.664 174.700 -0.012 0.000 1.040 238 T CA 1.872 63.955 62.100 -0.029 0.000 1.156 238 T CB -0.423 68.414 68.868 -0.051 0.000 0.863 238 T HN 0.182 nan 8.240 nan 0.000 0.430 239 V N 1.597 121.502 119.914 -0.015 0.000 2.231 239 V HA -0.250 3.867 4.120 -0.005 0.000 0.248 239 V C 2.859 178.997 176.094 0.072 0.000 1.054 239 V CA 2.022 64.318 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 3.999 4.320 -0.005 0.000 0.219 240 A C 2.128 179.796 177.584 0.140 0.000 1.182 240 A CA 2.249 54.404 52.037 0.196 0.000 0.633 240 A CB -0.671 18.398 19.000 0.114 0.000 0.819 240 A HN 0.661 nan 8.150 nan 0.000 0.448 241 E N -1.869 118.368 120.200 0.061 0.000 2.160 241 E HA -0.239 4.108 4.350 -0.005 0.000 0.195 241 E C 1.743 178.353 176.600 0.017 0.000 0.991 241 E CA 1.472 57.890 56.400 0.029 0.000 0.810 241 E CB -0.307 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 0.369 120.579 120.300 -0.150 0.000 2.114 242 Y HA -0.234 4.311 4.550 -0.007 0.000 0.284 242 Y C 1.502 177.257 175.900 -0.242 0.000 1.143 242 Y CA 1.505 59.444 58.100 -0.267 0.000 1.135 242 Y CB -0.383 37.789 38.460 -0.480 0.000 0.980 242 Y HN -0.055 nan 8.280 nan 0.000 0.499 243 F N 0.669 120.785 119.950 0.277 0.000 2.724 243 F HA -0.027 4.500 4.527 -0.002 0.000 0.297 243 F C 2.391 178.191 175.800 -0.001 0.000 1.200 243 F CA 1.263 59.361 58.000 0.165 0.000 1.468 243 F CB -0.444 38.742 39.000 0.310 0.000 1.116 243 F HN 0.143 nan 8.300 nan 0.000 0.599 244 R N -0.360 120.164 120.500 0.039 0.000 2.302 244 R HA 0.038 4.375 4.340 -0.005 0.000 0.187 244 R C 1.085 177.342 176.300 -0.072 0.000 0.904 244 R CA 0.426 56.526 56.100 -0.001 0.000 1.105 244 R CB 0.145 30.454 30.300 0.015 0.000 1.239 244 R HN 0.015 nan 8.270 nan 0.000 0.620 245 D N 0.384 120.717 120.400 -0.112 0.000 2.348 245 D HA -0.015 4.622 4.640 -0.005 0.000 0.211 245 D C 1.273 177.460 176.300 -0.188 0.000 0.998 245 D CA 0.644 54.572 54.000 -0.119 0.000 0.873 245 D CB 0.601 41.352 40.800 -0.082 0.000 0.925 245 D HN 0.141 nan 8.370 nan 0.000 0.524 246 Q N -0.238 119.351 119.800 -0.351 0.000 2.322 246 Q HA 0.159 4.496 4.340 -0.005 0.000 0.250 246 Q C 0.738 176.524 176.000 -0.356 0.000 0.853 246 Q CA 0.447 55.972 55.803 -0.463 0.000 0.951 246 Q CB 1.150 29.265 28.738 -1.039 0.000 1.114 246 Q HN 0.367 nan 8.270 nan 0.000 0.523 247 E N -0.723 119.310 120.200 -0.277 0.000 2.743 247 E HA 0.201 4.548 4.350 -0.005 0.000 0.222 247 E C 0.113 176.696 176.600 -0.028 0.000 0.959 247 E CA 0.108 56.454 56.400 -0.089 0.000 1.198 247 E CB 1.155 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 2.993 111.762 108.800 -0.051 0.000 2.441 248 G HA2 -0.336 3.621 3.960 -0.005 0.000 0.298 248 G HA3 -0.336 3.621 3.960 -0.005 0.000 0.298 248 G C 0.173 175.067 174.900 -0.010 0.000 0.949 248 G CA 1.011 46.093 45.100 -0.030 0.000 1.072 248 G HN 0.241 nan 8.290 nan 0.000 0.512 249 Q N -0.837 118.973 119.800 0.017 0.000 2.173 249 Q HA 0.482 4.819 4.340 -0.005 0.000 0.186 249 Q C -0.675 175.321 176.000 -0.005 0.000 1.018 249 Q CA -0.732 55.072 55.803 0.001 0.000 1.064 249 Q CB 0.700 29.442 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 -0.005 0.000 0.239 250 D C -0.989 175.291 176.300 -0.033 0.000 1.102 250 D CA -0.135 53.830 54.000 -0.057 0.000 0.901 250 D CB 1.010 41.732 40.800 -0.130 0.000 1.026 250 D HN 0.112 nan 8.370 nan 0.000 0.515 251 V N 1.513 121.435 119.914 0.014 0.000 3.083 251 V HA 0.370 4.487 4.120 -0.005 0.000 0.306 251 V C 0.575 176.658 176.094 -0.018 0.000 1.077 251 V CA -0.758 61.574 62.300 0.054 0.000 1.073 251 V CB 1.439 33.348 31.823 0.143 0.000 1.081 251 V HN 0.350 nan 8.190 nan 0.000 0.474 252 L N 2.781 123.987 121.223 -0.028 0.000 2.333 252 L HA 0.560 4.898 4.340 -0.005 0.000 0.280 252 L C -1.024 175.727 176.870 -0.198 0.000 1.004 252 L CA -0.582 54.159 54.840 -0.164 0.000 0.820 252 L CB 1.693 43.634 42.059 -0.197 0.000 1.247 252 L HN 0.508 nan 8.230 nan 0.000 0.416 253 L N 3.916 124.962 121.223 -0.295 0.000 2.333 253 L HA 0.580 4.917 4.340 -0.005 0.000 0.280 253 L C -1.438 175.223 176.870 -0.349 0.000 1.004 253 L CA 0.161 54.873 54.840 -0.213 0.000 0.820 253 L CB 1.359 43.336 42.059 -0.136 0.000 1.247 253 L HN 0.239 nan 8.230 nan 0.000 0.416 254 F N 6.023 125.925 119.950 -0.081 0.000 2.427 254 F HA 0.545 5.070 4.527 -0.004 0.000 0.348 254 F C -0.293 175.289 175.800 -0.364 0.000 1.125 254 F CA -0.404 57.498 58.000 -0.163 0.000 0.989 254 F CB 1.351 40.305 39.000 -0.078 0.000 1.165 254 F HN 0.225 nan 8.300 nan 0.000 0.442 255 I N 3.371 123.877 120.570 -0.107 0.000 2.354 255 I HA 0.285 4.452 4.170 -0.005 0.000 0.286 255 I C -0.828 175.207 176.117 -0.137 0.000 1.007 255 I CA -0.278 60.909 61.300 -0.189 0.000 1.167 255 I CB 1.179 39.068 38.000 -0.185 0.000 1.320 255 I HN 0.354 nan 8.210 nan 0.000 0.458 256 D N 5.711 125.985 120.400 -0.210 0.000 2.462 256 D HA 0.283 4.920 4.640 -0.005 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 1.061 41.863 40.800 0.003 0.000 1.098 256 D HN 0.598 nan 8.370 nan 0.000 0.541 257 N N 2.170 120.903 118.700 0.055 0.000 2.272 257 N HA 0.213 4.950 4.740 -0.005 0.000 0.305 257 N C 0.587 176.169 175.510 0.120 0.000 1.103 257 N CA -0.732 52.372 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 0.975 121.611 120.570 0.109 0.000 2.502 258 I HA -0.092 4.075 4.170 -0.005 0.000 0.258 258 I C 1.201 177.462 176.117 0.241 0.000 1.172 258 I CA 1.147 62.523 61.300 0.128 0.000 1.430 258 I CB -0.496 37.544 38.000 0.067 0.000 1.086 258 I HN 0.743 nan 8.210 nan 0.000 0.440 259 F N 1.135 121.173 119.950 0.146 0.000 2.206 259 F HA -0.071 4.454 4.527 -0.003 0.000 0.298 259 F C 2.412 178.303 175.800 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 -0.870 119.681 120.500 0.086 0.000 2.285 260 R HA -0.129 4.208 4.340 -0.005 0.000 0.213 260 R C 1.977 178.261 176.300 -0.027 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 0.057 0.000 0.873 260 R HN 0.388 nan 8.270 nan 0.000 0.467 261 F N 1.192 121.075 119.950 -0.111 0.000 2.098 261 F HA -0.117 4.405 4.527 -0.008 0.000 0.294 261 F C 2.027 177.758 175.800 -0.116 0.000 1.107 261 F CA 1.521 59.468 58.000 -0.089 0.000 1.234 261 F CB -0.615 38.346 39.000 -0.065 0.000 1.002 261 F HN -0.212 nan 8.300 nan 0.000 0.472 262 T N 0.602 114.949 114.554 -0.345 0.000 2.684 262 T HA -0.204 4.143 4.350 -0.005 0.000 0.267 262 T C 1.876 176.375 174.700 -0.335 0.000 1.036 262 T CA 1.652 63.514 62.100 -0.398 0.000 1.148 262 T CB -0.268 68.439 68.868 -0.269 0.000 0.863 262 T HN 0.207 nan 8.240 nan 0.000 0.436 263 Q N 0.728 120.276 119.800 -0.419 0.000 2.084 263 Q HA 0.047 4.384 4.340 -0.005 0.000 0.202 263 Q C 2.645 178.526 176.000 -0.198 0.000 0.978 263 Q CA 1.683 57.302 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 0.265 122.963 122.820 -0.202 0.000 1.940 264 A HA -0.107 4.210 4.320 -0.005 0.000 0.219 264 A C 2.287 179.770 177.584 -0.169 0.000 1.176 264 A CA 1.828 53.778 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 -0.646 107.992 108.800 -0.271 0.000 2.459 265 G HA2 -0.187 3.770 3.960 -0.005 0.000 0.217 265 G HA3 -0.187 3.770 3.960 -0.005 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 -0.250 0.000 0.776 265 G HN 0.487 nan 8.290 nan 0.000 0.552 266 S N 0.767 116.408 115.700 -0.098 0.000 2.359 266 S HA -0.121 4.346 4.470 -0.005 0.000 0.224 266 S C 2.193 176.758 174.600 -0.059 0.000 1.035 266 S CA 1.640 59.810 58.200 -0.051 0.000 1.018 266 S CB -0.303 62.871 63.200 -0.043 0.000 0.876 266 S HN 0.632 nan 8.310 nan 0.000 0.448 267 E N 0.624 120.783 120.200 -0.070 0.000 2.058 267 E HA -0.136 4.211 4.350 -0.005 0.000 0.194 267 E C 2.154 178.728 176.600 -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 1.166 121.050 119.914 -0.050 0.000 2.287 268 V HA -0.292 3.825 4.120 -0.005 0.000 0.248 268 V C 2.505 178.580 176.094 -0.031 0.000 1.053 268 V CA 1.980 64.258 62.300 -0.037 0.000 1.027 268 V CB -0.583 31.216 31.823 -0.041 0.000 0.646 268 V HN 0.276 nan 8.190 nan 0.000 0.447 269 S N -0.230 115.447 115.700 -0.038 0.000 2.353 269 S HA -0.246 4.221 4.470 -0.005 0.000 0.222 269 S C 2.185 176.773 174.600 -0.021 0.000 1.035 269 S CA 1.839 60.022 58.200 -0.027 0.000 1.025 269 S CB -0.466 62.719 63.200 -0.026 0.000 0.902 269 S HN 0.639 nan 8.310 nan 0.000 0.440 270 A N 1.642 124.448 122.820 -0.024 0.000 1.917 270 A HA -0.050 4.267 4.320 -0.005 0.000 0.219 270 A C 2.207 179.782 177.584 -0.016 0.000 1.182 270 A CA 1.719 53.743 52.037 -0.021 0.000 0.633 270 A CB -0.905 18.078 19.000 -0.027 0.000 0.819 270 A HN 0.613 nan 8.150 nan 0.000 0.448 271 L N -0.999 120.214 121.223 -0.017 0.000 2.131 271 L HA -0.102 4.235 4.340 -0.005 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 0.359 121.578 121.223 -0.007 0.000 2.660 272 L HA 0.160 4.497 4.340 -0.005 0.000 0.238 272 L C 1.333 178.201 176.870 -0.003 0.000 1.161 272 L CA 0.132 54.970 54.840 -0.003 0.000 0.937 272 L CB -0.700 41.357 42.059 -0.003 0.000 1.122 272 L HN 0.422 nan 8.230 nan 0.000 0.435 273 G N 1.062 109.859 108.800 -0.005 0.000 2.258 273 G HA2 -0.323 3.634 3.960 -0.005 0.000 0.274 273 G HA3 -0.323 3.634 3.960 -0.005 0.000 0.274 273 G C 0.290 175.188 174.900 -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 -0.663 119.834 120.500 -0.005 0.000 2.349 274 R HA 0.558 4.895 4.340 -0.005 0.000 0.299 274 R C 0.863 177.161 176.300 -0.003 0.000 1.027 274 R CA -1.001 55.096 56.100 -0.004 0.000 0.958 274 R CB 1.260 31.557 30.300 -0.004 0.000 1.047 274 R HN 0.267 nan 8.270 nan 0.000 0.468 275 I N 4.629 125.198 120.570 -0.001 0.000 2.742 275 I HA -0.040 4.127 4.170 -0.005 0.000 0.287 275 I C -1.711 174.408 176.117 0.004 0.000 1.186 275 I CA -1.183 60.117 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 -0.373 176.942 177.300 0.024 0.000 1.240 276 P CA -0.343 62.762 63.100 0.009 0.000 0.791 276 P CB 0.698 32.392 31.700 -0.010 0.000 0.978 277 S N -0.258 115.472 115.700 0.050 0.000 2.694 277 S HA 0.715 5.182 4.470 -0.005 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 -0.242 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 0.377 123.244 122.820 0.079 0.000 2.598 278 A HA 0.405 4.722 4.320 -0.005 0.000 0.239 278 A C 1.111 178.777 177.584 0.137 0.000 1.032 278 A CA 0.269 52.359 52.037 0.087 0.000 0.760 278 A CB -1.310 17.740 19.000 0.083 0.000 0.946 278 A HN 1.836 nan 8.150 nan 0.000 0.512 279 V N 1.352 121.315 119.914 0.083 0.000 2.666 279 V HA -0.324 3.793 4.120 -0.005 0.000 0.147 279 V C 1.940 177.971 176.094 -0.105 0.000 0.450 279 V CA 1.808 64.134 62.300 0.043 0.000 1.232 279 V CB -2.391 29.531 31.823 0.165 0.000 1.437 279 V HN 2.978 nan 8.190 nan 0.000 1.056 280 G N -2.748 106.014 108.800 -0.064 0.000 2.199 280 G HA2 -0.343 3.614 3.960 -0.005 0.000 0.254 280 G HA3 -0.343 3.614 3.960 -0.005 0.000 0.254 280 G C -0.044 174.755 174.900 -0.167 0.000 0.982 280 G CA 0.399 45.419 45.100 -0.134 0.000 0.632 280 G HN 0.842 nan 8.290 nan 0.000 0.529 281 Y N 1.735 122.039 120.300 0.006 0.000 2.220 281 Y HA 0.411 4.958 4.550 -0.005 0.000 0.347 281 Y C 1.496 177.382 175.900 -0.023 0.000 1.311 281 Y CA 0.218 58.310 58.100 -0.013 0.000 1.593 281 Y CB 0.242 38.700 38.460 -0.004 0.000 1.419 281 Y HN 0.411 nan 8.280 nan 0.000 0.614 282 Q N 1.250 121.150 119.800 0.166 0.000 2.373 282 Q HA 0.143 4.480 4.340 -0.005 0.000 0.255 282 Q C -2.395 173.639 176.000 0.057 0.000 0.980 282 Q CA -1.769 54.072 55.803 0.063 0.000 0.882 282 Q CB 0.826 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 0.890 178.200 177.300 0.017 0.000 1.150 283 P CA 1.764 64.879 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 -3.574 110.984 114.554 0.007 0.000 3.312 284 T HA 0.161 4.508 4.350 -0.005 0.000 0.251 284 T C 1.323 176.020 174.700 -0.005 0.000 1.012 284 T CA -0.332 61.768 62.100 0.000 0.000 0.925 284 T CB -0.990 67.872 68.868 -0.010 0.000 1.049 284 T HN -0.130 nan 8.240 nan 0.000 0.583 285 L N 1.700 122.922 121.223 -0.002 0.000 2.021 285 L HA -0.018 4.319 4.340 -0.005 0.000 0.215 285 L C 2.648 179.516 176.870 -0.004 0.000 1.074 285 L CA 2.344 57.168 54.840 -0.026 0.000 0.760 285 L CB -0.997 41.034 42.059 -0.046 0.000 0.889 285 L HN 0.378 nan 8.230 nan 0.000 0.433 286 A N -1.601 121.231 122.820 0.020 0.000 2.014 286 A HA -0.139 4.178 4.320 -0.005 0.000 0.218 286 A C 2.301 179.931 177.584 0.075 0.000 1.163 286 A CA 1.933 54.004 52.037 0.057 0.000 0.652 286 A CB -1.123 17.906 19.000 0.048 0.000 0.808 286 A HN 0.668 nan 8.150 nan 0.000 0.449 287 T N -2.997 111.586 114.554 0.047 0.000 2.976 287 T HA -0.063 4.284 4.350 -0.005 0.000 0.257 287 T C 1.328 176.060 174.700 0.054 0.000 1.051 287 T CA 1.089 63.218 62.100 0.049 0.000 1.141 287 T CB -0.379 68.505 68.868 0.027 0.000 0.881 287 T HN 0.265 nan 8.240 nan 0.000 0.461 288 D N 1.048 121.468 120.400 0.033 0.000 2.190 288 D HA -0.074 4.563 4.640 -0.005 0.000 0.200 288 D C 1.860 178.247 176.300 0.145 0.000 0.992 288 D CA 1.218 55.240 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 0.404 nan 8.370 nan 0.000 0.462 289 M N 0.186 119.868 119.600 0.137 0.000 2.216 289 M HA 0.115 4.592 4.480 -0.005 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 -0.564 32.116 32.600 0.133 0.000 1.356 289 M HN -0.061 nan 8.290 nan 0.000 0.432 290 G N -0.758 108.078 108.800 0.060 0.000 2.421 290 G HA2 -0.251 3.706 3.960 -0.005 0.000 0.216 290 G HA3 -0.251 3.706 3.960 -0.005 0.000 0.216 290 G C 1.466 176.386 174.900 0.033 0.000 1.171 290 G CA 1.641 46.784 45.100 0.072 0.000 0.775 290 G HN 0.615 nan 8.290 nan 0.000 0.543 291 T N -1.819 112.768 114.554 0.055 0.000 2.977 291 T HA -0.025 4.322 4.350 -0.005 0.000 0.271 291 T C 2.085 176.805 174.700 0.033 0.000 1.105 291 T CA 1.537 63.667 62.100 0.051 0.000 1.116 291 T CB -0.051 68.856 68.868 0.064 0.000 0.878 291 T HN 0.191 nan 8.240 nan 0.000 0.509 292 M N -0.075 119.530 119.600 0.009 0.000 2.553 292 M HA 0.130 4.607 4.480 -0.005 0.000 0.255 292 M C 2.158 178.370 176.300 -0.146 0.000 1.181 292 M CA 0.980 56.240 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 1.315 120.973 119.800 -0.236 0.000 2.133 293 Q HA -0.183 4.154 4.340 -0.005 0.000 0.208 293 Q C 1.746 177.664 176.000 -0.137 0.000 0.991 293 Q CA 1.645 57.272 55.803 -0.294 0.000 0.867 293 Q CB -0.663 27.645 28.738 -0.718 0.000 0.911 293 Q HN 0.571 nan 8.270 nan 0.000 0.417 294 E N -0.008 120.154 120.200 -0.065 0.000 2.338 294 E HA -0.123 4.224 4.350 -0.005 0.000 0.197 294 E C 1.662 178.259 176.600 -0.005 0.000 1.007 294 E CA 0.387 56.792 56.400 0.009 0.000 0.849 294 E CB -0.064 29.667 29.700 0.052 0.000 0.774 294 E HN 0.346 nan 8.360 nan 0.000 0.506 295 R N 0.182 120.666 120.500 -0.027 0.000 2.323 295 R HA 0.139 4.476 4.340 -0.005 0.000 0.198 295 R C 0.611 176.888 176.300 -0.039 0.000 0.988 295 R CA 0.193 56.278 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 1.732 122.271 120.570 -0.052 0.000 2.337 296 I HA 0.154 4.321 4.170 -0.005 0.000 0.285 296 I C -0.299 175.791 176.117 -0.045 0.000 1.041 296 I CA -0.083 61.180 61.300 -0.062 0.000 1.199 296 I CB 1.306 39.250 38.000 -0.093 0.000 1.370 296 I HN 0.079 nan 8.210 nan 0.000 0.470 297 T N 0.032 114.561 114.554 -0.041 0.000 2.677 297 T HA 0.249 4.596 4.350 -0.005 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 2.800 117.329 114.554 -0.043 0.000 2.811 298 T HA 0.580 4.927 4.350 -0.005 0.000 0.309 298 T C 0.742 175.414 174.700 -0.046 0.000 1.005 298 T CA -0.500 61.572 62.100 -0.046 0.000 0.955 298 T CB 0.063 68.902 68.868 -0.048 0.000 0.970 298 T HN 0.923 nan 8.240 nan 0.000 0.496 299 T N 0.688 115.217 114.554 -0.042 0.000 2.852 299 T HA 0.415 4.762 4.350 -0.005 0.000 0.281 299 T C 1.398 176.071 174.700 -0.045 0.000 0.993 299 T CA -0.917 61.157 62.100 -0.044 0.000 0.933 299 T CB 1.170 70.017 68.868 -0.036 0.000 1.187 299 T HN 0.293 nan 8.240 nan 0.000 0.559 300 K N -0.004 120.369 120.400 -0.045 0.000 2.147 300 K HA -0.017 4.300 4.320 -0.005 0.000 0.205 300 K C 2.361 178.939 176.600 -0.036 0.000 1.049 300 K CA 1.182 57.444 56.287 -0.041 0.000 0.936 300 K CB -0.098 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 -0.618 119.761 120.400 -0.037 0.000 2.057 301 K HA -0.020 4.297 4.320 -0.005 0.000 0.206 301 K C 1.151 177.730 176.600 -0.035 0.000 1.050 301 K CA 1.087 57.352 56.287 -0.037 0.000 0.935 301 K CB 0.244 32.718 32.500 -0.044 0.000 0.715 301 K HN 0.277 nan 8.250 nan 0.000 0.439 302 G N -0.577 108.203 108.800 -0.034 0.000 2.512 302 G HA2 0.298 4.255 3.960 -0.005 0.000 0.186 302 G HA3 0.298 4.255 3.960 -0.005 0.000 0.186 302 G C -1.534 173.345 174.900 -0.035 0.000 1.189 302 G CA -0.110 44.971 45.100 -0.032 0.000 0.994 302 G HN 0.164 nan 8.290 nan 0.000 0.506 303 S N -1.131 114.548 115.700 -0.034 0.000 2.543 303 S HA 0.663 5.130 4.470 -0.005 0.000 0.274 303 S C -1.379 173.199 174.600 -0.037 0.000 1.149 303 S CA -0.776 57.399 58.200 -0.041 0.000 0.866 303 S CB 1.332 64.498 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 2.377 304 I HA 0.453 4.620 4.170 -0.005 0.000 0.293 304 I C -0.321 175.748 176.117 -0.080 0.000 0.987 304 I CA -0.497 60.775 61.300 -0.047 0.000 1.185 304 I CB 2.147 40.124 38.000 -0.038 0.000 1.341 304 I HN 0.667 nan 8.210 nan 0.000 0.455 305 T N 4.047 118.537 114.554 -0.107 0.000 2.792 305 T HA 0.262 4.609 4.350 -0.005 0.000 0.280 305 T C -0.322 174.257 174.700 -0.203 0.000 0.990 305 T CA -0.382 61.636 62.100 -0.137 0.000 0.960 305 T CB 1.488 70.285 68.868 -0.117 0.000 0.939 305 T HN 0.499 nan 8.240 nan 0.000 0.439 306 S N 2.414 117.989 115.700 -0.208 0.000 2.449 306 S HA 0.568 5.035 4.470 -0.005 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 6.245 125.973 119.914 -0.310 0.000 2.333 307 V HA 0.386 4.503 4.120 -0.005 0.000 0.274 307 V C -0.169 175.945 176.094 0.032 0.000 1.028 307 V CA -0.448 61.779 62.300 -0.122 0.000 0.851 307 V CB 1.125 33.005 31.823 0.094 0.000 1.000 307 V HN 0.815 nan 8.190 nan 0.000 0.456 308 Q N 3.303 123.099 119.800 -0.006 0.000 2.325 308 Q HA 0.674 5.011 4.340 -0.005 0.000 0.262 308 Q C -0.103 175.930 176.000 0.055 0.000 0.968 308 Q CA -0.467 55.338 55.803 0.004 0.000 0.877 308 Q CB 2.139 30.843 28.738 -0.056 0.000 1.253 308 Q HN 0.870 nan 8.270 nan 0.000 0.448 309 A N 4.379 127.244 122.820 0.074 0.000 2.354 309 A HA 0.420 4.737 4.320 -0.005 0.000 0.281 309 A C -0.336 177.285 177.584 0.062 0.000 1.174 309 A CA -0.272 51.819 52.037 0.089 0.000 0.828 309 A CB 0.003 19.069 19.000 0.109 0.000 1.099 309 A HN 0.751 nan 8.150 nan 0.000 0.516 310 I N 2.511 123.072 120.570 -0.014 0.000 2.359 310 I HA 0.239 4.406 4.170 -0.005 0.000 0.294 310 I C -0.656 175.399 176.117 -0.103 0.000 0.987 310 I CA -0.519 60.731 61.300 -0.084 0.000 1.225 310 I CB 1.336 39.138 38.000 -0.330 0.000 1.366 310 I HN 0.728 nan 8.210 nan 0.000 0.466 311 Y N 6.956 127.192 120.300 -0.106 0.000 2.331 311 Y HA 0.544 5.091 4.550 -0.006 0.000 0.338 311 Y C -0.899 174.819 175.900 -0.302 0.000 0.976 311 Y CA -0.814 57.166 58.100 -0.201 0.000 1.137 311 Y CB 1.278 39.627 38.460 -0.185 0.000 1.172 311 Y HN 0.253 nan 8.280 nan 0.000 0.478 312 V N 9.771 129.115 119.914 -0.949 0.000 2.350 312 V HA 0.338 4.455 4.120 -0.005 0.000 0.276 312 V C -2.039 173.466 176.094 -0.982 0.000 1.028 312 V CA -1.924 59.950 62.300 -0.711 0.000 0.860 312 V CB 0.937 32.527 31.823 -0.388 0.000 0.990 312 V HN 0.711 nan 8.190 nan 0.000 0.453 313 P HA 0.158 nan 4.420 nan 0.000 0.271 313 P C 0.470 177.632 177.300 -0.229 0.000 1.216 313 P CA 0.523 63.356 63.100 -0.444 0.000 0.776 313 P CB 1.047 32.675 31.700 -0.119 0.000 0.881 314 A N 2.883 125.619 122.820 -0.140 0.000 2.765 314 A HA -0.263 4.054 4.320 -0.005 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 -1.634 118.663 120.400 -0.171 0.000 2.983 315 D HA -0.179 4.458 4.640 -0.005 0.000 0.225 315 D C -0.232 176.009 176.300 -0.099 0.000 1.174 315 D CA 1.991 55.910 54.000 -0.135 0.000 0.831 315 D CB -0.912 39.840 40.800 -0.081 0.000 1.104 315 D HN 0.888 nan 8.370 nan 0.000 0.421 316 D N 0.275 120.614 120.400 -0.102 0.000 2.456 316 D HA 0.221 4.858 4.640 -0.005 0.000 0.219 316 D C 1.414 177.667 176.300 -0.079 0.000 1.126 316 D CA -0.399 53.560 54.000 -0.068 0.000 0.890 316 D CB 0.233 41.013 40.800 -0.034 0.000 1.025 316 D HN 0.137 nan 8.370 nan 0.000 0.511 317 L N 2.517 123.684 121.223 -0.093 0.000 2.551 317 L HA -0.053 4.284 4.340 -0.005 0.000 0.228 317 L C 1.986 178.769 176.870 -0.145 0.000 1.153 317 L CA 1.086 55.841 54.840 -0.141 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 -5.082 109.420 114.554 -0.087 0.000 3.145 318 T HA 0.016 4.363 4.350 -0.005 0.000 0.255 318 T C 0.567 175.255 174.700 -0.019 0.000 1.039 318 T CA -0.555 61.507 62.100 -0.063 0.000 0.928 318 T CB -0.240 68.600 68.868 -0.047 0.000 1.029 318 T HN 0.127 nan 8.240 nan 0.000 0.554 319 D N 2.294 122.692 120.400 -0.002 0.000 2.424 319 D HA 0.090 4.727 4.640 -0.005 0.000 0.244 319 D C -1.463 174.862 176.300 0.042 0.000 1.134 319 D CA -1.718 52.321 54.000 0.065 0.000 0.881 319 D CB 1.846 42.708 40.800 0.103 0.000 1.191 319 D HN -0.018 nan 8.370 nan 0.000 0.445 320 P HA -0.205 nan 4.420 nan 0.000 0.217 320 P C 0.872 178.006 177.300 -0.277 0.000 1.151 320 P CA 1.850 64.893 63.100 -0.096 0.000 0.849 320 P CB 0.105 31.775 31.700 -0.050 0.000 0.787 321 A N -0.001 122.584 122.820 -0.393 0.000 1.835 321 A HA -0.118 4.199 4.320 -0.005 0.000 0.215 321 A C -0.017 177.584 177.584 0.028 0.000 1.199 321 A CA 2.273 54.149 52.037 -0.269 0.000 0.615 321 A CB -2.233 16.815 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 1.736 179.154 177.300 0.196 0.000 1.163 322 P CA 2.263 65.470 63.100 0.179 0.000 0.883 322 P CB -0.354 31.401 31.700 0.092 0.000 0.788 323 A N -0.469 122.383 122.820 0.055 0.000 1.903 323 A HA -0.254 4.063 4.320 -0.005 0.000 0.219 323 A C 2.415 180.059 177.584 0.100 0.000 1.191 323 A CA 3.018 55.070 52.037 0.025 0.000 0.638 323 A CB -2.080 16.909 19.000 -0.019 0.000 0.823 323 A HN 0.213 nan 8.150 nan 0.000 0.451 324 T N -0.193 114.404 114.554 0.072 0.000 2.652 324 T HA -0.142 4.205 4.350 -0.005 0.000 0.267 324 T C 2.050 176.866 174.700 0.193 0.000 1.039 324 T CA 2.121 64.277 62.100 0.092 0.000 1.153 324 T CB -0.718 68.174 68.868 0.040 0.000 0.863 324 T HN 0.637 nan 8.240 nan 0.000 0.428 325 T N 1.713 116.401 114.554 0.222 0.000 2.699 325 T HA -0.115 4.232 4.350 -0.005 0.000 0.268 325 T C 1.537 176.399 174.700 0.270 0.000 1.036 325 T CA 1.178 63.430 62.100 0.254 0.000 1.147 325 T CB -0.614 68.379 68.868 0.209 0.000 0.862 325 T HN 0.275 nan 8.240 nan 0.000 0.446 326 F N 1.574 121.580 119.950 0.093 0.000 2.494 326 F HA 0.145 4.668 4.527 -0.005 0.000 0.298 326 F C 2.443 178.261 175.800 0.031 0.000 1.106 326 F CA -0.030 58.016 58.000 0.076 0.000 1.452 326 F CB -0.748 38.290 39.000 0.064 0.000 1.085 326 F HN 0.151 nan 8.300 nan 0.000 0.569 327 A N -0.905 122.005 122.820 0.150 0.000 2.024 327 A HA -0.198 4.119 4.320 -0.005 0.000 0.220 327 A C 1.891 179.339 177.584 -0.226 0.000 1.164 327 A CA 1.719 53.714 52.037 -0.071 0.000 0.643 327 A CB -0.744 18.147 19.000 -0.182 0.000 0.806 327 A HN 0.464 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 4.825 4.556 -0.006 0.000 0.264 328 H C 0.137 175.436 175.328 -0.049 0.000 0.954 328 H CA -0.094 55.949 56.048 -0.010 0.000 1.199 328 H CB 0.032 29.783 29.762 -0.018 0.000 1.446 328 H HN 0.329 nan 8.280 nan 0.000 0.516 329 L N 2.061 123.293 121.223 0.015 0.000 2.416 329 L HA 0.035 4.372 4.340 -0.005 0.000 0.272 329 L C 0.794 177.624 176.870 -0.067 0.000 1.161 329 L CA 0.164 54.953 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 1.994 122.346 120.400 -0.080 0.000 2.398 330 D HA 0.349 4.986 4.640 -0.005 0.000 0.210 330 D C 0.262 176.522 176.300 -0.065 0.000 1.094 330 D CA 0.382 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 0.302 123.057 122.820 -0.108 0.000 2.581 331 A HA 0.475 4.792 4.320 -0.005 0.000 0.294 331 A C -0.799 176.692 177.584 -0.156 0.000 1.035 331 A CA -0.729 51.246 52.037 -0.103 0.000 0.684 331 A CB 0.994 19.955 19.000 -0.065 0.000 1.282 331 A HN -0.035 nan 8.150 nan 0.000 0.417 332 T N -1.101 113.367 114.554 -0.144 0.000 2.841 332 T HA 0.759 5.106 4.350 -0.005 0.000 0.283 332 T C -0.561 174.066 174.700 -0.122 0.000 1.000 332 T CA -0.486 61.488 62.100 -0.210 0.000 0.977 332 T CB 1.757 70.373 68.868 -0.421 0.000 0.979 332 T HN 0.784 nan 8.240 nan 0.000 0.446 333 T N 2.984 117.504 114.554 -0.057 0.000 2.893 333 T HA 0.435 4.782 4.350 -0.005 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 0.399 69.390 68.868 0.205 0.000 1.005 333 T HN 0.656 nan 8.240 nan 0.000 0.475 334 V N 6.080 125.967 119.914 -0.045 0.000 2.339 334 V HA 0.309 4.426 4.120 -0.005 0.000 0.261 334 V C 0.493 176.618 176.094 0.052 0.000 1.058 334 V CA -0.702 61.590 62.300 -0.012 0.000 0.897 334 V CB 0.146 31.910 31.823 -0.097 0.000 1.052 334 V HN 0.735 nan 8.190 nan 0.000 0.480 335 L N 4.117 125.403 121.223 0.105 0.000 2.367 335 L HA 0.370 4.707 4.340 -0.005 0.000 0.275 335 L C 0.616 177.507 176.870 0.035 0.000 1.129 335 L CA 0.493 55.371 54.840 0.062 0.000 0.839 335 L CB 1.363 43.472 42.059 0.084 0.000 1.133 335 L HN 0.708 nan 8.230 nan 0.000 0.453 336 S N 3.257 118.947 115.700 -0.016 0.000 2.519 336 S HA 0.340 4.807 4.470 -0.005 0.000 0.309 336 S C 0.851 175.416 174.600 -0.058 0.000 1.100 336 S CA -0.766 57.420 58.200 -0.023 0.000 1.059 336 S CB 1.496 64.679 63.200 -0.028 0.000 1.008 336 S HN 0.673 nan 8.310 nan 0.000 0.478 337 R N 2.735 123.216 120.500 -0.032 0.000 2.120 337 R HA -0.072 4.265 4.340 -0.005 0.000 0.234 337 R C 2.268 178.542 176.300 -0.043 0.000 1.123 337 R CA 1.533 57.611 56.100 -0.036 0.000 0.975 337 R CB -0.405 29.892 30.300 -0.005 0.000 0.866 337 R HN 0.783 nan 8.270 nan 0.000 0.446 338 A N 1.245 124.045 122.820 -0.034 0.000 1.873 338 A HA -0.135 4.182 4.320 -0.005 0.000 0.215 338 A C 2.004 179.562 177.584 -0.042 0.000 1.186 338 A CA 1.017 53.037 52.037 -0.029 0.000 0.616 338 A CB -0.311 18.675 19.000 -0.023 0.000 0.823 338 A HN 0.089 nan 8.150 nan 0.000 0.442 339 I N 0.175 120.708 120.570 -0.062 0.000 2.163 339 I HA -0.272 3.895 4.170 -0.005 0.000 0.243 339 I C 2.994 179.034 176.117 -0.127 0.000 1.085 339 I CA 1.506 62.761 61.300 -0.075 0.000 1.347 339 I CB -1.649 36.298 38.000 -0.088 0.000 1.044 339 I HN 0.375 nan 8.210 nan 0.000 0.408 340 A N 0.471 123.154 122.820 -0.228 0.000 1.892 340 A HA -0.259 4.058 4.320 -0.005 0.000 0.218 340 A C 2.231 179.769 177.584 -0.077 0.000 1.188 340 A CA 1.926 53.740 52.037 -0.373 0.000 0.631 340 A CB -0.842 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 -0.005 0.000 0.199 341 E C 1.405 178.024 176.600 0.032 0.000 1.008 341 E CA 0.683 57.095 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 -0.922 120.316 121.223 0.024 0.000 2.599 342 L HA 0.101 4.438 4.340 -0.005 0.000 0.230 342 L C 1.641 178.562 176.870 0.085 0.000 1.141 342 L CA 0.478 55.344 54.840 0.043 0.000 0.877 342 L CB -0.084 42.004 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 -0.005 0.000 0.251 343 G HA3 -0.297 3.660 3.960 -0.005 0.000 0.251 343 G C 0.442 175.608 174.900 0.444 0.000 0.998 343 G CA -0.187 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 0.909 121.634 120.570 0.258 0.000 2.741 344 I HA 0.284 4.451 4.170 -0.005 0.000 0.288 344 I C 0.108 176.245 176.117 0.034 0.000 1.192 344 I CA 0.617 62.035 61.300 0.197 0.000 1.426 344 I CB -0.006 38.057 38.000 0.106 0.000 1.367 344 I HN 0.167 nan 8.210 nan 0.000 0.563 345 Y N 6.651 126.921 120.300 -0.050 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 -2.272 55.733 58.100 -0.158 0.000 1.027 345 Y CB 1.914 40.250 38.460 -0.206 0.000 1.306 345 Y HN 0.410 nan 8.280 nan 0.000 0.446 346 P HA 0.046 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 0.143 63.189 63.100 -0.091 0.000 0.765 346 P CB 0.840 32.556 31.700 0.027 0.000 0.823 347 A N 3.649 126.329 122.820 -0.234 0.000 2.223 347 A HA 0.115 4.432 4.320 -0.005 0.000 0.222 347 A C 0.686 178.201 177.584 -0.116 0.000 1.317 347 A CA -0.081 51.784 52.037 -0.287 0.000 0.985 347 A CB -1.036 17.672 19.000 -0.488 0.000 0.858 347 A HN 0.408 nan 8.150 nan 0.000 0.496 348 V N 1.069 120.956 119.914 -0.044 0.000 2.740 348 V HA 0.021 4.138 4.120 -0.005 0.000 0.303 348 V C 0.358 176.440 176.094 -0.021 0.000 1.054 348 V CA -0.141 62.156 62.300 -0.005 0.000 1.106 348 V CB 1.126 32.966 31.823 0.028 0.000 0.957 348 V HN 0.553 nan 8.190 nan 0.000 0.486 349 D N 6.837 127.226 120.400 -0.019 0.000 2.347 349 D HA 0.247 4.884 4.640 -0.005 0.000 0.235 349 D C -1.354 174.928 176.300 -0.029 0.000 1.149 349 D CA -2.198 51.787 54.000 -0.025 0.000 0.850 349 D CB 1.819 42.603 40.800 -0.026 0.000 1.061 349 D HN 0.242 nan 8.370 nan 0.000 0.487 350 P HA -0.057 nan 4.420 nan 0.000 0.230 350 P C 1.136 178.411 177.300 -0.043 0.000 1.158 350 P CA 0.682 63.756 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 -1.689 119.513 121.223 -0.034 0.000 2.642 351 L HA 0.206 4.543 4.340 -0.005 0.000 0.233 351 L C 1.652 178.500 176.870 -0.037 0.000 1.077 351 L CA 0.448 55.269 54.840 -0.033 0.000 0.879 351 L CB -0.212 41.833 42.059 -0.025 0.000 1.151 351 L HN -0.204 nan 8.230 nan 0.000 0.495 352 D N -0.369 120.006 120.400 -0.042 0.000 2.301 352 D HA 0.035 4.672 4.640 -0.005 0.000 0.206 352 D C 0.733 176.981 176.300 -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 0.067 115.721 115.700 -0.077 0.000 2.564 353 S HA 0.405 4.872 4.470 -0.005 0.000 0.278 353 S C 0.500 175.061 174.600 -0.065 0.000 1.333 353 S CA -0.251 57.896 58.200 -0.088 0.000 1.048 353 S CB 1.119 64.293 63.200 -0.042 0.000 0.900 353 S HN 0.335 nan 8.310 nan 0.000 0.505 354 T N -1.016 113.495 114.554 -0.073 0.000 2.838 354 T HA 0.792 5.139 4.350 -0.005 0.000 0.292 354 T C -0.688 174.001 174.700 -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 70.743 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 -0.005 0.000 0.271 355 S C 0.579 175.181 174.600 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 0.063 4.400 4.340 -0.005 0.000 0.231 356 R C 1.817 178.111 176.300 -0.010 0.000 1.119 356 R CA 1.795 57.893 56.100 -0.004 0.000 0.970 356 R CB -0.421 29.874 30.300 -0.009 0.000 0.864 356 R HN 0.817 nan 8.270 nan 0.000 0.440 357 I N -1.794 118.768 120.570 -0.014 0.000 3.605 357 I HA 0.049 4.216 4.170 -0.005 0.000 0.301 357 I C 0.513 176.605 176.117 -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 3.007 122.599 119.600 -0.012 0.000 3.422 358 M HA 0.232 4.709 4.480 -0.005 0.000 0.248 358 M C -1.000 175.349 176.300 0.081 0.000 1.433 358 M CA 0.482 55.801 55.300 0.033 0.000 1.592 358 M CB -1.010 31.627 32.600 0.061 0.000 1.078 358 M HN 0.252 nan 8.290 nan 0.000 0.578 359 D N 2.460 122.823 120.400 -0.063 0.000 2.757 359 D HA 0.401 5.038 4.640 -0.005 0.000 0.249 359 D C -1.836 174.292 176.300 -0.287 0.000 1.168 359 D CA -1.571 52.276 54.000 -0.254 0.000 0.870 359 D CB 2.370 43.074 40.800 -0.160 0.000 1.411 359 D HN 0.075 nan 8.370 nan 0.000 0.525 360 P HA -0.164 nan 4.420 nan 0.000 0.217 360 P C 0.411 177.623 177.300 -0.146 0.000 1.148 360 P CA 1.074 64.006 63.100 -0.280 0.000 0.828 360 P CB 0.229 31.714 31.700 -0.357 0.000 0.783 361 N N -1.130 117.469 118.700 -0.169 0.000 2.571 361 N HA 0.028 4.765 4.740 -0.005 0.000 0.189 361 N C 1.517 176.985 175.510 -0.070 0.000 1.154 361 N CA 0.555 53.546 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 -2.064 118.461 120.570 -0.076 0.000 4.578 362 I HA 0.001 4.168 4.170 -0.005 0.000 0.312 362 I C 1.203 177.300 176.117 -0.033 0.000 1.224 362 I CA 0.204 61.474 61.300 -0.050 0.000 1.318 362 I CB 0.430 38.396 38.000 -0.055 0.000 1.388 362 I HN -0.041 nan 8.210 nan 0.000 0.461 363 V N -1.088 118.796 119.914 -0.051 0.000 3.660 363 V HA 0.603 4.720 4.120 -0.005 0.000 0.276 363 V C 0.860 176.997 176.094 0.073 0.000 1.317 363 V CA 0.167 62.446 62.300 -0.036 0.000 1.097 363 V CB -0.621 31.021 31.823 -0.301 0.000 0.863 363 V HN 0.449 nan 8.190 nan 0.000 0.438 364 G N 0.974 109.803 108.800 0.048 0.000 2.879 364 G HA2 -0.140 3.817 3.960 -0.005 0.000 0.686 364 G HA3 -0.140 3.817 3.960 -0.005 0.000 0.686 364 G C 0.486 175.467 174.900 0.137 0.000 1.115 364 G CA 0.498 45.645 45.100 0.079 0.000 0.770 364 G HN 1.213 nan 8.290 nan 0.000 0.601 365 S N 0.437 116.204 115.700 0.111 0.000 2.381 365 S HA -0.257 4.210 4.470 -0.005 0.000 0.230 365 S C 1.898 176.612 174.600 0.191 0.000 1.052 365 S CA 2.495 60.790 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 0.079 120.368 120.200 0.148 0.000 2.005 366 E HA -0.299 4.048 4.350 -0.005 0.000 0.198 366 E C 2.042 178.751 176.600 0.182 0.000 1.010 366 E CA 1.658 58.137 56.400 0.132 0.000 0.825 366 E CB -0.709 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 -1.391 117.728 119.070 0.083 0.000 2.292 367 H HA -0.268 4.285 4.556 -0.005 0.000 0.292 367 H C 2.262 177.635 175.328 0.075 0.000 1.100 367 H CA 2.089 58.180 56.048 0.073 0.000 1.238 367 H CB -0.284 29.523 29.762 0.076 0.000 1.355 367 H HN 0.317 nan 8.280 nan 0.000 0.484 368 Y N 1.546 121.936 120.300 0.150 0.000 2.165 368 Y HA -0.249 4.298 4.550 -0.005 0.000 0.286 368 Y C 2.019 177.954 175.900 0.059 0.000 1.155 368 Y CA 1.992 60.116 58.100 0.040 0.000 1.164 368 Y CB -0.287 38.171 38.460 -0.003 0.000 0.978 368 Y HN 0.368 nan 8.280 nan 0.000 0.513 369 D N -0.842 119.581 120.400 0.039 0.000 2.149 369 D HA -0.142 4.495 4.640 -0.005 0.000 0.201 369 D C 2.428 178.692 176.300 -0.061 0.000 0.972 369 D CA 1.409 55.379 54.000 -0.051 0.000 0.835 369 D CB -0.378 40.455 40.800 0.056 0.000 0.966 369 D HN 0.312 nan 8.370 nan 0.000 0.476 370 V N 1.814 121.735 119.914 0.011 0.000 2.261 370 V HA -0.260 3.857 4.120 -0.005 0.000 0.246 370 V C 2.628 178.702 176.094 -0.033 0.000 1.047 370 V CA 1.909 64.222 62.300 0.022 0.000 1.015 370 V CB -0.936 30.923 31.823 0.061 0.000 0.642 370 V HN 0.169 nan 8.190 nan 0.000 0.446 371 A N 0.202 122.997 122.820 -0.043 0.000 1.873 371 A HA -0.259 4.058 4.320 -0.005 0.000 0.218 371 A C 2.255 179.740 177.584 -0.164 0.000 1.193 371 A CA 1.946 53.924 52.037 -0.098 0.000 0.629 371 A CB -0.566 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 -0.425 119.911 120.500 -0.273 0.000 2.285 372 R HA -0.073 4.264 4.340 -0.005 0.000 0.213 372 R C 2.095 178.314 176.300 -0.136 0.000 1.068 372 R CA 1.003 56.944 56.100 -0.264 0.000 1.004 372 R CB -1.119 28.921 30.300 -0.433 0.000 0.873 372 R HN 0.586 nan 8.270 nan 0.000 0.467 373 G N -0.019 108.725 108.800 -0.094 0.000 2.411 373 G HA2 -0.104 3.853 3.960 -0.005 0.000 0.213 373 G HA3 -0.104 3.853 3.960 -0.005 0.000 0.213 373 G C 1.509 176.400 174.900 -0.015 0.000 1.166 373 G CA 0.195 45.274 45.100 -0.035 0.000 0.802 373 G HN 0.106 nan 8.290 nan 0.000 0.533 374 V N 0.909 120.809 119.914 -0.025 0.000 2.287 374 V HA -0.283 3.834 4.120 -0.005 0.000 0.248 374 V C 2.898 178.978 176.094 -0.024 0.000 1.053 374 V CA 2.301 64.590 62.300 -0.019 0.000 1.027 374 V CB -0.725 31.021 31.823 -0.128 0.000 0.646 374 V HN 0.405 nan 8.190 nan 0.000 0.447 375 Q N -0.183 119.585 119.800 -0.053 0.000 2.046 375 Q HA -0.246 4.091 4.340 -0.005 0.000 0.200 375 Q C 2.368 178.359 176.000 -0.014 0.000 0.975 375 Q CA 1.826 57.606 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 0.791 121.179 120.400 -0.019 0.000 2.009 376 K HA -0.215 4.102 4.320 -0.005 0.000 0.210 376 K C 1.989 178.602 176.600 0.021 0.000 1.049 376 K CA 1.249 57.534 56.287 -0.003 0.000 0.929 376 K CB -0.213 32.282 32.500 -0.008 0.000 0.714 376 K HN 0.063 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 -0.005 0.000 0.243 377 I C 1.876 178.047 176.117 0.090 0.000 1.080 377 I CA 1.451 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 -0.652 120.619 121.223 0.081 0.000 2.131 378 L HA -0.260 4.077 4.340 -0.005 0.000 0.210 378 L C 2.474 179.398 176.870 0.089 0.000 1.092 378 L CA 1.319 56.230 54.840 0.117 0.000 0.759 378 L CB -0.566 41.534 42.059 0.069 0.000 0.903 378 L HN 0.392 nan 8.230 nan 0.000 0.435 379 Q N -0.394 119.434 119.800 0.048 0.000 2.020 379 Q HA -0.172 4.165 4.340 -0.005 0.000 0.198 379 Q C 1.882 177.902 176.000 0.032 0.000 0.974 379 Q CA 1.408 57.224 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 -0.005 0.000 0.193 380 D C 1.748 178.112 176.300 0.108 0.000 0.998 380 D CA 1.200 55.239 54.000 0.065 0.000 0.836 380 D CB -0.428 40.411 40.800 0.065 0.000 0.951 380 D HN 0.239 nan 8.370 nan 0.000 0.449 381 Y N 2.117 122.417 120.300 -0.000 0.000 2.151 381 Y HA -0.226 4.321 4.550 -0.005 0.000 0.284 381 Y C 2.199 178.099 175.900 0.001 0.000 1.166 381 Y CA 1.468 59.569 58.100 0.001 0.000 1.163 381 Y CB -0.363 38.099 38.460 0.003 0.000 0.974 381 Y HN -0.157 nan 8.280 nan 0.000 0.511 382 K N -0.292 120.015 120.400 -0.155 0.000 2.074 382 K HA -0.204 4.113 4.320 -0.005 0.000 0.209 382 K C 2.283 178.790 176.600 -0.155 0.000 1.048 382 K CA 1.776 57.920 56.287 -0.239 0.000 0.926 382 K CB -0.229 32.197 32.500 -0.124 0.000 0.713 382 K HN 0.352 nan 8.250 nan 0.000 0.444 383 S N 1.322 116.983 115.700 -0.065 0.000 2.365 383 S HA -0.167 4.300 4.470 -0.005 0.000 0.221 383 S C 1.878 176.458 174.600 -0.033 0.000 1.037 383 S CA 1.502 59.681 58.200 -0.035 0.000 1.060 383 S CB -0.392 62.806 63.200 -0.003 0.000 0.974 383 S HN 0.263 nan 8.310 nan 0.000 0.427 384 L N 1.483 122.706 121.223 0.000 0.000 2.129 384 L HA -0.214 4.123 4.340 -0.005 0.000 0.212 384 L C 2.776 179.642 176.870 -0.005 0.000 1.087 384 L CA 1.192 56.050 54.840 0.029 0.000 0.757 384 L CB -0.689 41.437 42.059 0.111 0.000 0.896 384 L HN 0.415 nan 8.230 nan 0.000 0.434 385 Q N 0.113 119.851 119.800 -0.102 0.000 2.156 385 Q HA -0.287 4.050 4.340 -0.005 0.000 0.211 385 Q C 1.762 177.723 176.000 -0.066 0.000 0.995 385 Q CA 2.138 57.854 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 0.527 nan 8.270 nan 0.000 0.416 386 D N -0.235 120.132 120.400 -0.055 0.000 2.117 386 D HA -0.121 4.516 4.640 -0.005 0.000 0.198 386 D C 1.769 178.061 176.300 -0.013 0.000 0.982 386 D CA 0.792 54.773 54.000 -0.033 0.000 0.828 386 D CB -0.137 40.645 40.800 -0.030 0.000 0.967 386 D HN 0.173 nan 8.370 nan 0.000 0.464 387 I N 0.949 121.516 120.570 -0.005 0.000 2.113 387 I HA -0.253 3.914 4.170 -0.005 0.000 0.238 387 I C 2.116 178.241 176.117 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 2.121 388 I HA -0.406 3.761 4.170 -0.005 0.000 0.243 388 I C 2.651 178.782 176.117 0.023 0.000 1.047 388 I CA 2.123 63.444 61.300 0.034 0.000 1.308 388 I CB -2.018 36.017 38.000 0.058 0.000 1.015 388 I HN 0.286 nan 8.210 nan 0.000 0.410 389 A N 0.173 123.001 122.820 0.014 0.000 1.933 389 A HA -0.130 4.187 4.320 -0.005 0.000 0.218 389 A C 2.208 179.796 177.584 0.007 0.000 1.175 389 A CA 1.358 53.400 52.037 0.009 0.000 0.628 389 A CB -0.363 18.637 19.000 0.000 0.000 0.814 389 A HN 0.330 nan 8.150 nan 0.000 0.444 390 I N -0.304 120.269 120.570 0.005 0.000 2.490 390 I HA -0.027 4.140 4.170 -0.005 0.000 0.234 390 I C 2.058 178.179 176.117 0.006 0.000 1.066 390 I CA 0.873 62.175 61.300 0.004 0.000 1.405 390 I CB -1.614 36.386 38.000 0.001 0.000 1.191 390 I HN 0.245 nan 8.210 nan 0.000 0.433 391 L N 1.008 122.235 121.223 0.007 0.000 2.650 391 L HA 0.312 4.649 4.340 -0.005 0.000 0.235 391 L C 0.798 177.674 176.870 0.011 0.000 1.149 391 L CA 0.156 55.001 54.840 0.008 0.000 0.887 391 L CB -1.416 40.648 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 -0.005 0.000 0.686 392 G HA3 -0.275 3.682 3.960 -0.005 0.000 0.686 392 G C 0.085 174.996 174.900 0.020 0.000 1.309 392 G CA -0.486 44.623 45.100 0.016 0.000 0.904 392 G HN 0.127 nan 8.290 nan 0.000 0.593 393 M N 0.850 120.464 119.600 0.024 0.000 2.873 393 M HA -0.048 4.429 4.480 -0.005 0.000 0.208 393 M C 0.862 177.176 176.300 0.024 0.000 0.965 393 M CA 1.234 56.551 55.300 0.029 0.000 1.103 393 M CB -0.332 32.286 32.600 0.031 0.000 1.620 393 M HN 0.587 nan 8.290 nan 0.000 0.534 394 D N -1.122 119.290 120.400 0.019 0.000 2.510 394 D HA 0.007 4.644 4.640 -0.005 0.000 0.234 394 D C 1.184 177.493 176.300 0.015 0.000 1.178 394 D CA 0.065 54.075 54.000 0.016 0.000 0.816 394 D CB 0.397 41.205 40.800 0.013 0.000 1.143 394 D HN 0.299 nan 8.370 nan 0.000 0.526 395 E N 0.942 121.151 120.200 0.015 0.000 2.515 395 E HA -0.014 4.333 4.350 -0.005 0.000 0.201 395 E C 0.442 177.051 176.600 0.014 0.000 1.071 395 E CA 0.017 56.425 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 2.483 123.716 121.223 0.017 0.000 2.628 396 L HA -0.064 4.273 4.340 -0.005 0.000 0.274 396 L C 0.974 177.853 176.870 0.015 0.000 1.209 396 L CA 0.074 54.925 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 1.678 117.386 115.700 0.014 0.000 2.603 397 S HA 0.113 4.580 4.470 -0.005 0.000 0.268 397 S C 0.900 175.505 174.600 0.009 0.000 1.317 397 S CA -0.808 57.398 58.200 0.011 0.000 1.012 397 S CB 1.340 64.547 63.200 0.011 0.000 0.926 397 S HN 0.675 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 4.121 4.350 -0.005 0.000 0.200 398 E C 1.641 178.244 176.600 0.005 0.000 1.008 398 E CA 1.661 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 0.135 120.338 120.200 0.006 0.000 2.057 399 E HA -0.093 4.254 4.350 -0.005 0.000 0.190 399 E C 1.610 178.215 176.600 0.008 0.000 0.969 399 E CA 0.346 56.750 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 0.924 121.332 120.400 0.013 0.000 2.263 400 D HA -0.100 4.537 4.640 -0.005 0.000 0.208 400 D C 1.379 177.688 176.300 0.016 0.000 0.971 400 D CA 0.955 54.967 54.000 0.020 0.000 0.867 400 D CB 0.115 40.930 40.800 0.025 0.000 0.929 400 D HN 0.100 nan 8.370 nan 0.000 0.492 401 K N -0.389 120.015 120.400 0.007 0.000 2.361 401 K HA 0.023 4.340 4.320 -0.005 0.000 0.196 401 K C 1.635 178.225 176.600 -0.017 0.000 1.039 401 K CA 0.018 56.304 56.287 -0.001 0.000 1.001 401 K CB 0.540 33.041 32.500 0.003 0.000 0.795 401 K HN 0.031 nan 8.250 nan 0.000 0.495 402 L N 1.050 122.265 121.223 -0.015 0.000 2.202 402 L HA -0.081 4.256 4.340 -0.005 0.000 0.205 402 L C 2.558 179.404 176.870 -0.040 0.000 1.083 402 L CA 1.617 56.443 54.840 -0.024 0.000 0.790 402 L CB -0.559 41.492 42.059 -0.013 0.000 0.942 402 L HN 0.242 nan 8.230 nan 0.000 0.452 403 T N -3.766 110.772 114.554 -0.025 0.000 2.788 403 T HA -0.159 4.188 4.350 -0.005 0.000 0.268 403 T C 1.819 176.468 174.700 -0.085 0.000 1.044 403 T CA 1.630 63.715 62.100 -0.025 0.000 1.139 403 T CB -0.920 67.957 68.868 0.015 0.000 0.867 403 T HN 0.065 nan 8.240 nan 0.000 0.454 404 V N 2.854 122.708 119.914 -0.101 0.000 2.229 404 V HA -0.184 3.933 4.120 -0.005 0.000 0.243 404 V C 3.216 179.120 176.094 -0.316 0.000 1.042 404 V CA 2.105 64.246 62.300 -0.266 0.000 1.000 404 V CB -1.448 30.291 31.823 -0.139 0.000 0.637 404 V HN 0.792 nan 8.190 nan 0.000 0.446 405 S N 1.569 117.166 115.700 -0.172 0.000 2.389 405 S HA -0.381 4.086 4.470 -0.005 0.000 0.229 405 S C 2.045 176.548 174.600 -0.161 0.000 1.048 405 S CA 2.331 60.450 58.200 -0.135 0.000 1.117 405 S CB -0.773 62.385 63.200 -0.069 0.000 1.020 405 S HN 0.589 nan 8.310 nan 0.000 0.430 406 R N 2.002 122.418 120.500 -0.140 0.000 2.080 406 R HA 0.005 4.342 4.340 -0.005 0.000 0.236 406 R C 2.919 179.121 176.300 -0.163 0.000 1.137 406 R CA 1.372 57.386 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 1.836 124.550 122.820 -0.177 0.000 1.917 407 A HA -0.229 4.088 4.320 -0.005 0.000 0.219 407 A C 2.125 179.591 177.584 -0.196 0.000 1.182 407 A CA 1.663 53.599 52.037 -0.169 0.000 0.633 407 A CB -0.507 18.325 19.000 -0.279 0.000 0.819 407 A HN 0.292 nan 8.150 nan 0.000 0.448 408 R N -0.485 119.814 120.500 -0.335 0.000 2.148 408 R HA -0.052 4.285 4.340 -0.005 0.000 0.227 408 R C 2.031 178.264 176.300 -0.112 0.000 1.103 408 R CA 1.327 57.298 56.100 -0.215 0.000 0.983 408 R CB -0.264 29.900 30.300 -0.227 0.000 0.874 408 R HN 0.533 nan 8.270 nan 0.000 0.451 409 K N 0.745 121.024 120.400 -0.201 0.000 2.076 409 K HA 0.019 4.336 4.320 -0.005 0.000 0.204 409 K C 2.140 178.531 176.600 -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 0.080 nan 8.250 nan 0.000 0.443 410 I N 1.390 121.862 120.570 -0.164 0.000 2.099 410 I HA -0.355 3.812 4.170 -0.005 0.000 0.239 410 I C 2.709 178.955 176.117 0.216 0.000 1.066 410 I CA 1.429 62.792 61.300 0.106 0.000 1.324 410 I CB -0.308 37.788 38.000 0.160 0.000 1.037 410 I HN 0.279 nan 8.210 nan 0.000 0.401 411 Q N 0.544 120.423 119.800 0.132 0.000 2.156 411 Q HA -0.265 4.072 4.340 -0.005 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 -0.870 119.744 120.500 0.189 0.000 2.062 412 R HA -0.101 4.236 4.340 -0.005 0.000 0.229 412 R C 2.159 178.646 176.300 0.312 0.000 1.128 412 R CA 0.978 57.246 56.100 0.278 0.000 0.960 412 R CB -0.648 29.842 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 -0.068 4.457 4.527 -0.005 0.000 0.301 413 F C 1.771 177.701 175.800 0.217 0.000 1.076 413 F CA 0.901 58.895 58.000 -0.010 0.000 1.383 413 F CB -0.233 38.499 39.000 -0.447 0.000 1.055 413 F HN -0.089 nan 8.300 nan 0.000 0.526 414 L N -0.387 121.025 121.223 0.314 0.000 2.552 414 L HA -0.008 4.329 4.340 -0.005 0.000 0.227 414 L C 1.351 178.271 176.870 0.084 0.000 1.146 414 L CA 0.315 55.283 54.840 0.214 0.000 0.858 414 L CB -0.634 41.511 42.059 0.144 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 -0.005 0.000 0.270 415 S C -0.393 174.189 174.600 -0.030 0.000 1.225 415 S CA -0.547 57.667 58.200 0.023 0.000 0.991 415 S CB 2.134 65.344 63.200 0.015 0.000 0.987 415 S HN 0.237 nan 8.310 nan 0.000 0.552 416 Q N -0.160 119.588 119.800 -0.088 0.000 2.617 416 Q HA 0.323 4.660 4.340 -0.005 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 2.003 30.773 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 -1.056 176.375 177.300 0.218 0.000 1.262 417 P CA -0.040 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 1.975 121.920 119.950 -0.009 0.000 2.399 418 F HA 0.273 4.797 4.527 -0.005 0.000 0.334 418 F C 1.948 177.761 175.800 0.022 0.000 1.097 418 F CA -0.884 57.120 58.000 0.006 0.000 1.076 418 F CB 1.084 40.087 39.000 0.006 0.000 1.162 418 F HN 0.335 nan 8.300 nan 0.000 0.495 419 Q N 1.287 121.197 119.800 0.183 0.000 2.291 419 Q HA -0.067 4.270 4.340 -0.005 0.000 0.205 419 Q C 1.928 178.003 176.000 0.125 0.000 0.970 419 Q CA 0.782 56.652 55.803 0.112 0.000 0.876 419 Q CB -0.067 28.702 28.738 0.052 0.000 0.935 419 Q HN 0.537 nan 8.270 nan 0.000 0.455 420 V N 0.488 120.488 119.914 0.143 0.000 2.515 420 V HA -0.140 3.977 4.120 -0.005 0.000 0.250 420 V C 1.196 177.398 176.094 0.180 0.000 1.058 420 V CA 1.419 63.800 62.300 0.136 0.000 1.064 420 V CB -0.386 31.504 31.823 0.112 0.000 0.675 420 V HN 0.299 nan 8.190 nan 0.000 0.461 421 A N -0.562 122.372 122.820 0.190 0.000 3.245 421 A HA 0.388 4.705 4.320 -0.005 0.000 0.282 421 A C 1.122 178.842 177.584 0.227 0.000 1.417 421 A CA -0.205 51.940 52.037 0.181 0.000 1.149 421 A CB -0.175 18.833 19.000 0.013 0.000 1.155 421 A HN 0.507 nan 8.150 nan 0.000 0.602 422 E N -0.417 119.927 120.200 0.239 0.000 2.332 422 E HA -0.004 4.343 4.350 -0.005 0.000 0.202 422 E C 1.304 177.985 176.600 0.134 0.000 0.877 422 E CA 0.431 56.929 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 0.436 nan 8.360 nan 0.000 0.495 423 V N 1.079 121.073 119.914 0.134 0.000 2.982 423 V HA -0.201 3.916 4.120 -0.005 0.000 0.265 423 V C 1.219 177.173 176.094 -0.234 0.000 1.122 423 V CA 1.618 63.863 62.300 -0.090 0.000 1.143 423 V CB -0.526 31.148 31.823 -0.249 0.000 0.726 423 V HN 0.199 nan 8.190 nan 0.000 0.507 424 F N -0.369 119.591 119.950 0.017 0.000 2.531 424 F HA 0.079 4.602 4.527 -0.005 0.000 0.273 424 F C 2.462 178.280 175.800 0.029 0.000 0.960 424 F CA 0.872 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 -2.014 112.700 114.554 0.267 0.000 3.160 425 T HA 0.243 4.590 4.350 -0.005 0.000 0.257 425 T C 1.852 176.762 174.700 0.351 0.000 1.147 425 T CA 0.679 62.909 62.100 0.217 0.000 1.064 425 T CB -0.704 68.225 68.868 0.103 0.000 0.949 425 T HN 0.561 nan 8.240 nan 0.000 0.526 426 G N 1.018 109.930 108.800 0.186 0.000 2.200 426 G HA2 -0.265 3.692 3.960 -0.005 0.000 0.267 426 G HA3 -0.265 3.692 3.960 -0.005 0.000 0.267 426 G C -0.132 174.694 174.900 -0.123 0.000 0.993 426 G CA 0.770 45.895 45.100 0.041 0.000 0.701 426 G HN 0.781 nan 8.290 nan 0.000 0.524 427 H N -1.982 117.103 119.070 0.025 0.000 2.731 427 H HA 0.678 5.231 4.556 -0.005 0.000 0.368 427 H C -0.195 175.148 175.328 0.025 0.000 1.168 427 H CA -1.068 54.990 56.048 0.016 0.000 1.181 427 H CB 1.466 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 1.635 122.932 121.223 0.123 0.000 2.319 428 L HA 0.380 4.717 4.340 -0.005 0.000 0.280 428 L C 0.853 177.779 176.870 0.094 0.000 1.099 428 L CA 0.181 55.070 54.840 0.081 0.000 0.828 428 L CB 0.498 42.585 42.059 0.046 0.000 1.150 428 L HN 0.850 nan 8.230 nan 0.000 0.442 429 G N 4.025 112.880 108.800 0.092 0.000 2.491 429 G HA2 0.302 4.259 3.960 -0.005 0.000 0.242 429 G HA3 0.302 4.259 3.960 -0.005 0.000 0.242 429 G C -0.498 174.450 174.900 0.080 0.000 1.266 429 G CA -0.508 44.656 45.100 0.107 0.000 0.844 429 G HN 0.448 nan 8.290 nan 0.000 0.571 430 K N 1.037 121.493 120.400 0.093 0.000 2.345 430 K HA 0.304 4.621 4.320 -0.005 0.000 0.255 430 K C -0.961 175.669 176.600 0.050 0.000 0.934 430 K CA -1.025 55.301 56.287 0.065 0.000 0.801 430 K CB 2.249 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 3.952 125.184 121.223 0.015 0.000 2.603 431 L HA 0.258 4.595 4.340 -0.005 0.000 0.242 431 L C -0.882 175.981 176.870 -0.011 0.000 1.169 431 L CA -0.741 54.090 54.840 -0.016 0.000 1.029 431 L CB 0.396 42.429 42.059 -0.043 0.000 1.361 431 L HN 0.242 nan 8.230 nan 0.000 0.439 432 V N 4.659 124.575 119.914 0.004 0.000 2.694 432 V HA 0.152 4.269 4.120 -0.005 0.000 0.306 432 V C -1.658 174.431 176.094 -0.007 0.000 1.054 432 V CA -0.549 61.756 62.300 0.008 0.000 1.161 432 V CB 0.042 31.872 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 0.577 177.875 177.300 -0.004 0.000 1.249 433 P CA -0.636 62.459 63.100 -0.009 0.000 0.810 433 P CB 0.973 32.670 31.700 -0.004 0.000 1.008 434 L N 2.819 124.034 121.223 -0.012 0.000 2.043 434 L HA -0.210 4.127 4.340 -0.005 0.000 0.212 434 L C 2.067 178.914 176.870 -0.038 0.000 1.075 434 L CA 2.082 56.903 54.840 -0.032 0.000 0.752 434 L CB -1.000 41.048 42.059 -0.018 0.000 0.891 434 L HN 0.334 nan 8.230 nan 0.000 0.432 435 K N -0.977 119.417 120.400 -0.009 0.000 2.057 435 K HA -0.154 4.163 4.320 -0.005 0.000 0.207 435 K C 1.959 178.579 176.600 0.033 0.000 1.049 435 K CA 1.343 57.634 56.287 0.007 0.000 0.931 435 K CB -0.056 32.454 32.500 0.017 0.000 0.714 435 K HN 0.303 nan 8.250 nan 0.000 0.440 436 E N 0.044 120.270 120.200 0.043 0.000 2.150 436 E HA -0.091 4.256 4.350 -0.005 0.000 0.193 436 E C 1.984 178.659 176.600 0.125 0.000 0.985 436 E CA 1.062 57.509 56.400 0.079 0.000 0.814 436 E CB -0.296 29.445 29.700 0.068 0.000 0.752 436 E HN 0.246 nan 8.360 nan 0.000 0.466 437 T N 2.147 116.754 114.554 0.088 0.000 2.668 437 T HA -0.091 4.256 4.350 -0.005 0.000 0.262 437 T C 1.927 176.751 174.700 0.207 0.000 1.045 437 T CA 1.188 63.364 62.100 0.127 0.000 1.152 437 T CB -0.097 68.781 68.868 0.016 0.000 0.864 437 T HN 0.080 nan 8.240 nan 0.000 0.419 438 I N 1.256 121.861 120.570 0.060 0.000 2.286 438 I HA -0.089 4.078 4.170 -0.005 0.000 0.248 438 I C 2.185 178.391 176.117 0.149 0.000 1.115 438 I CA 1.422 62.755 61.300 0.056 0.000 1.392 438 I CB -1.226 36.739 38.000 -0.058 0.000 1.065 438 I HN 0.239 nan 8.210 nan 0.000 0.418 439 K N 1.295 121.776 120.400 0.135 0.000 2.002 439 K HA -0.075 4.242 4.320 -0.005 0.000 0.209 439 K C 2.287 179.005 176.600 0.197 0.000 1.048 439 K CA 1.470 57.842 56.287 0.141 0.000 0.930 439 K CB -0.711 31.859 32.500 0.117 0.000 0.714 439 K HN 0.417 nan 8.250 nan 0.000 0.438 440 G N 1.117 110.072 108.800 0.258 0.000 2.764 440 G HA2 -0.298 3.659 3.960 -0.005 0.000 0.219 440 G HA3 -0.298 3.659 3.960 -0.005 0.000 0.219 440 G C 1.275 176.311 174.900 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 1.085 121.258 119.950 0.371 0.000 2.202 441 F HA -0.081 4.443 4.527 -0.005 0.000 0.301 441 F C 2.913 178.788 175.800 0.124 0.000 1.082 441 F CA 1.679 59.818 58.000 0.230 0.000 1.313 441 F CB -0.474 38.611 39.000 0.141 0.000 1.024 441 F HN 0.261 nan 8.300 nan 0.000 0.495 442 Q N 0.481 120.436 119.800 0.258 0.000 2.045 442 Q HA -0.302 4.035 4.340 -0.005 0.000 0.206 442 Q C 2.171 178.232 176.000 0.100 0.000 0.991 442 Q CA 2.341 58.233 55.803 0.149 0.000 0.851 442 Q CB -0.203 28.607 28.738 0.119 0.000 0.911 442 Q HN 0.484 nan 8.270 nan 0.000 0.418 443 Q N -0.280 119.581 119.800 0.102 0.000 2.084 443 Q HA -0.157 4.180 4.340 -0.005 0.000 0.202 443 Q C 2.149 178.157 176.000 0.014 0.000 0.978 443 Q CA 1.470 57.296 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 0.788 121.403 120.570 0.075 0.000 2.208 444 I HA -0.268 3.899 4.170 -0.005 0.000 0.245 444 I C 2.283 178.397 176.117 -0.005 0.000 1.097 444 I CA 1.418 62.723 61.300 0.008 0.000 1.363 444 I CB -1.138 36.789 38.000 -0.121 0.000 1.051 444 I HN 0.283 nan 8.210 nan 0.000 0.413 445 L N 0.929 122.177 121.223 0.041 0.000 2.017 445 L HA -0.196 4.141 4.340 -0.005 0.000 0.208 445 L C 2.943 179.816 176.870 0.005 0.000 1.073 445 L CA 1.484 56.344 54.840 0.034 0.000 0.745 445 L CB -0.822 41.276 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 -0.134 4.183 4.320 -0.005 0.000 0.219 446 A C 1.905 179.460 177.584 -0.048 0.000 1.182 446 A CA 2.076 54.098 52.037 -0.025 0.000 0.633 446 A CB -0.821 18.155 19.000 -0.041 0.000 0.819 446 A HN 0.657 nan 8.150 nan 0.000 0.448 447 G N -2.010 106.748 108.800 -0.071 0.000 2.168 447 G HA2 -0.188 3.769 3.960 -0.005 0.000 0.197 447 G HA3 -0.188 3.769 3.960 -0.005 0.000 0.197 447 G C 0.467 175.285 174.900 -0.136 0.000 0.997 447 G CA 0.641 45.697 45.100 -0.073 0.000 0.658 447 G HN 0.522 nan 8.290 nan 0.000 0.513 448 E N -0.872 119.163 120.200 -0.275 0.000 2.204 448 E HA -0.054 4.293 4.350 -0.005 0.000 0.195 448 E C 0.831 177.001 176.600 -0.717 0.000 0.990 448 E CA 1.166 57.246 56.400 -0.533 0.000 0.821 448 E CB -0.073 29.157 29.700 -0.782 0.000 0.750 448 E HN 0.728 nan 8.360 nan 0.000 0.477 449 Y N -0.238 120.009 120.300 -0.087 0.000 2.720 449 Y HA 0.159 4.706 4.550 -0.005 0.000 0.268 449 Y C 0.932 176.671 175.900 -0.269 0.000 1.142 449 Y CA -0.641 57.299 58.100 -0.268 0.000 1.193 449 Y CB 0.377 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 0.421 120.781 120.400 -0.066 0.000 2.221 450 D HA -0.196 4.441 4.640 -0.005 0.000 0.204 450 D C 2.064 178.370 176.300 0.010 0.000 0.982 450 D CA 1.548 55.544 54.000 -0.008 0.000 0.857 450 D CB 0.028 40.836 40.800 0.013 0.000 0.934 450 D HN 0.633 nan 8.370 nan 0.000 0.475 451 H N -0.412 118.705 119.070 0.078 0.000 2.395 451 H HA 0.031 4.584 4.556 -0.005 0.000 0.299 451 H C 1.351 176.726 175.328 0.077 0.000 1.070 451 H CA 0.058 56.141 56.048 0.059 0.000 1.356 451 H CB -0.584 29.200 29.762 0.036 0.000 1.401 451 H HN 0.098 nan 8.280 nan 0.000 0.524 452 L N 2.868 123.876 121.223 -0.358 0.000 2.503 452 L HA 0.057 4.394 4.340 -0.005 0.000 0.287 452 L C -1.981 174.900 176.870 0.017 0.000 1.252 452 L CA -1.178 53.572 54.840 -0.150 0.000 0.835 452 L CB 0.260 42.172 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 -0.130 177.237 177.300 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 4.065 4.350 -0.005 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 0.267 0.000 0.872 454 E CB -0.435 29.334 29.700 0.116 0.000 0.785 454 E HN 0.503 nan 8.360 nan 0.000 0.476 455 Q N -0.408 119.452 119.800 0.101 0.000 2.528 455 Q HA -0.160 4.177 4.340 -0.005 0.000 0.217 455 Q C 1.813 177.827 176.000 0.023 0.000 0.988 455 Q CA 0.984 56.832 55.803 0.076 0.000 0.900 455 Q CB -0.162 28.589 28.738 0.021 0.000 0.947 455 Q HN 0.319 nan 8.270 nan 0.000 0.502 456 A N -0.824 121.910 122.820 -0.143 0.000 2.014 456 A HA -0.074 4.243 4.320 -0.005 0.000 0.218 456 A C 1.387 178.722 177.584 -0.415 0.000 1.163 456 A CA 0.656 52.462 52.037 -0.385 0.000 0.652 456 A CB -0.351 18.215 19.000 -0.724 0.000 0.808 456 A HN 0.305 nan 8.150 nan 0.000 0.449 457 F N -2.586 117.351 119.950 -0.022 0.000 2.754 457 F HA 0.204 4.728 4.527 -0.005 0.000 0.297 457 F C 0.765 176.648 175.800 0.138 0.000 1.122 457 F CA -0.560 57.441 58.000 0.002 0.000 1.400 457 F CB -0.401 38.579 39.000 -0.034 0.000 1.117 457 F HN 0.239 nan 8.300 nan 0.000 0.587 458 Y N 2.448 122.851 120.300 0.170 0.000 2.544 458 Y HA 0.177 4.724 4.550 -0.005 0.000 0.330 458 Y C 0.710 176.658 175.900 0.078 0.000 1.136 458 Y CA -1.208 56.964 58.100 0.120 0.000 1.417 458 Y CB 0.134 38.639 38.460 0.075 0.000 1.229 458 Y HN 0.035 nan 8.280 nan 0.000 0.532 459 M N 6.218 125.566 119.600 -0.420 0.000 3.241 459 M HA -0.166 4.311 4.480 -0.005 0.000 0.169 459 M C -1.073 175.155 176.300 -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 -0.668 0.000 1.258 459 M HN 0.492 nan 8.290 nan 0.000 0.656 460 V N -1.818 118.096 119.914 0.000 0.000 3.165 460 V HA 1.091 5.208 4.120 -0.005 0.000 0.309 460 V C 0.470 176.622 176.094 0.096 0.000 1.267 460 V CA -0.089 62.245 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 0.507 nan 8.190 nan 0.000 0.451 461 G N -0.230 108.632 108.800 0.103 0.000 2.766 461 G HA2 0.544 4.501 3.960 -0.005 0.000 0.206 461 G HA3 0.544 4.501 3.960 -0.005 0.000 0.206 461 G C -2.566 172.447 174.900 0.189 0.000 2.072 461 G CA -0.498 44.664 45.100 0.103 0.000 0.798 461 G HN 0.692 nan 8.290 nan 0.000 0.703 462 P HA 0.245 nan 4.420 nan 0.000 0.275 462 P C 0.774 178.164 177.300 0.150 0.000 1.228 462 P CA -0.595 62.615 63.100 0.184 0.000 0.786 462 P CB 1.432 33.188 31.700 0.093 0.000 0.927 463 I N 1.929 122.564 120.570 0.109 0.000 2.290 463 I HA -0.350 3.817 4.170 -0.005 0.000 0.253 463 I C 1.639 177.596 176.117 -0.268 0.000 1.112 463 I CA 1.948 63.079 61.300 -0.283 0.000 1.377 463 I CB -0.264 37.514 38.000 -0.369 0.000 1.060 463 I HN 0.362 nan 8.210 nan 0.000 0.428 464 E N 0.570 120.700 120.200 -0.115 0.000 2.130 464 E HA -0.260 4.087 4.350 -0.005 0.000 0.196 464 E C 2.038 178.566 176.600 -0.120 0.000 0.998 464 E CA 1.760 58.100 56.400 -0.100 0.000 0.806 464 E CB -0.268 29.412 29.700 -0.033 0.000 0.738 464 E HN 0.634 nan 8.360 nan 0.000 0.459 465 E N -0.032 120.113 120.200 -0.091 0.000 2.208 465 E HA -0.060 4.287 4.350 -0.005 0.000 0.193 465 E C 1.984 178.485 176.600 -0.164 0.000 0.988 465 E CA 0.702 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 1.277 123.933 122.820 -0.272 0.000 1.969 466 A HA -0.103 4.214 4.320 -0.005 0.000 0.218 466 A C 2.481 179.756 177.584 -0.514 0.000 1.169 466 A CA 0.918 52.665 52.037 -0.484 0.000 0.635 466 A CB -0.398 18.185 19.000 -0.694 0.000 0.810 466 A HN 0.105 nan 8.150 nan 0.000 0.445 467 V N -0.314 119.366 119.914 -0.391 0.000 2.283 467 V HA -0.152 3.965 4.120 -0.005 0.000 0.243 467 V C 2.992 178.986 176.094 -0.166 0.000 1.039 467 V CA 1.748 63.887 62.300 -0.267 0.000 1.016 467 V CB -1.445 30.272 31.823 -0.176 0.000 0.650 467 V HN 0.541 nan 8.190 nan 0.000 0.449 468 A N -0.300 122.439 122.820 -0.134 0.000 1.933 468 A HA -0.234 4.083 4.320 -0.005 0.000 0.218 468 A C 2.359 179.888 177.584 -0.091 0.000 1.175 468 A CA 2.067 54.052 52.037 -0.087 0.000 0.628 468 A CB -0.513 18.449 19.000 -0.063 0.000 0.814 468 A HN 0.485 nan 8.150 nan 0.000 0.444 469 K N -0.403 119.925 120.400 -0.121 0.000 2.147 469 K HA -0.085 4.232 4.320 -0.005 0.000 0.205 469 K C 2.163 178.695 176.600 -0.113 0.000 1.049 469 K CA 1.010 57.235 56.287 -0.103 0.000 0.936 469 K CB -0.271 32.156 32.500 -0.122 0.000 0.722 469 K HN 0.418 nan 8.250 nan 0.000 0.446 470 A N 1.469 124.190 122.820 -0.165 0.000 1.902 470 A HA -0.204 4.113 4.320 -0.005 0.000 0.217 470 A C 1.610 179.150 177.584 -0.074 0.000 1.181 470 A CA 2.022 53.974 52.037 -0.142 0.000 0.623 470 A CB -0.521 18.371 19.000 -0.180 0.000 0.818 470 A HN 0.303 nan 8.150 nan 0.000 0.443 471 D N -0.195 120.167 120.400 -0.063 0.000 2.092 471 D HA -0.120 4.517 4.640 -0.005 0.000 0.193 471 D C 1.838 178.120 176.300 -0.030 0.000 0.994 471 D CA 1.515 55.493 54.000 -0.036 0.000 0.828 471 D CB -0.225 40.555 40.800 -0.033 0.000 0.963 471 D HN 0.472 nan 8.370 nan 0.000 0.450 472 K N -0.227 120.153 120.400 -0.033 0.000 2.442 472 K HA 0.076 4.393 4.320 -0.005 0.000 0.198 472 K C 0.973 177.561 176.600 -0.019 0.000 1.042 472 K CA 0.358 56.632 56.287 -0.022 0.000 0.958 472 K CB 0.263 32.753 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 -0.005 0.000 0.246 473 L C 0.154 177.012 176.870 -0.019 0.000 1.239 473 L CA -0.511 54.315 54.840 -0.024 0.000 1.035 473 L CB -0.893 41.146 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 -0.005 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