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 2wss_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 0.000 174.818 174.700 0.196 0.000 1.109 9 T CA 0.000 62.176 62.100 0.127 0.000 1.349 9 T CB 0.000 68.936 68.868 0.114 0.000 0.612 10 T N 0.482 115.102 114.554 0.109 0.000 2.875 10 T HA 0.753 5.103 4.350 0.000 0.000 0.284 10 T C 0.520 175.099 174.700 -0.201 0.000 0.995 10 T CA -0.084 62.014 62.100 -0.003 0.000 1.060 10 T CB 1.198 70.045 68.868 -0.035 0.000 0.967 10 T HN 1.079 nan 8.240 nan 0.000 0.476 11 G N 1.254 109.716 108.800 -0.564 0.000 3.140 11 G HA2 0.783 4.743 3.960 0.000 0.000 0.271 11 G HA3 0.783 4.743 3.960 0.000 0.000 0.271 11 G C -1.273 173.309 174.900 -0.530 0.000 1.370 11 G CA -0.951 43.530 45.100 -1.032 0.000 1.014 11 G HN 0.595 nan 8.290 nan 0.000 0.541 12 R N -0.838 119.393 120.500 -0.447 0.000 2.651 12 R HA 0.347 4.687 4.340 0.000 0.000 0.278 12 R C -0.696 175.513 176.300 -0.150 0.000 1.010 12 R CA -0.825 55.140 56.100 -0.226 0.000 0.896 12 R CB 2.442 32.648 30.300 -0.156 0.000 1.211 12 R HN 0.387 nan 8.270 nan 0.000 0.456 13 I N 3.465 123.978 120.570 -0.095 0.000 2.517 13 I HA -0.037 4.133 4.170 0.000 0.000 0.285 13 I C 1.482 177.575 176.117 -0.040 0.000 1.106 13 I CA 0.260 61.528 61.300 -0.053 0.000 1.402 13 I CB 0.929 38.908 38.000 -0.035 0.000 1.399 13 I HN 0.544 nan 8.210 nan 0.000 0.535 14 V N 3.174 123.072 119.914 -0.025 0.000 3.562 14 V HA 0.613 4.733 4.120 0.000 0.000 0.270 14 V C 0.438 176.528 176.094 -0.007 0.000 1.418 14 V CA 0.327 62.616 62.300 -0.018 0.000 1.033 14 V CB 0.586 32.400 31.823 -0.015 0.000 0.820 14 V HN 0.723 nan 8.190 nan 0.000 0.441 15 A N -0.326 122.493 122.820 -0.002 0.000 2.540 15 A HA 0.784 5.104 4.320 0.000 0.000 0.297 15 A C -1.323 176.262 177.584 0.003 0.000 1.056 15 A CA -0.280 51.758 52.037 0.001 0.000 0.700 15 A CB 2.167 21.169 19.000 0.005 0.000 1.280 15 A HN 0.615 nan 8.150 nan 0.000 0.398 16 V N 3.330 123.245 119.914 0.001 0.000 2.385 16 V HA 0.356 4.476 4.120 0.000 0.000 0.277 16 V C -1.173 174.922 176.094 0.001 0.000 1.012 16 V CA -0.062 62.239 62.300 0.002 0.000 0.832 16 V CB 0.665 32.488 31.823 0.000 0.000 1.028 16 V HN 0.657 nan 8.190 nan 0.000 0.436 17 I N 4.042 124.613 120.570 0.003 0.000 2.321 17 I HA 0.798 4.968 4.170 0.000 0.000 0.291 17 I C 1.176 177.294 176.117 0.001 0.000 0.998 17 I CA 0.518 61.819 61.300 0.001 0.000 1.227 17 I CB 0.957 38.957 38.000 0.001 0.000 1.368 17 I HN 0.680 nan 8.210 nan 0.000 0.466 18 G N 4.731 113.531 108.800 -0.001 0.000 2.614 18 G HA2 -0.241 3.719 3.960 0.000 0.000 0.303 18 G HA3 -0.241 3.719 3.960 0.000 0.000 0.303 18 G C 0.690 175.589 174.900 -0.000 0.000 1.270 18 G CA 0.433 45.531 45.100 -0.002 0.000 0.988 18 G HN 1.142 nan 8.290 nan 0.000 0.551 19 A N -0.891 121.929 122.820 -0.001 0.000 2.415 19 A HA 0.613 4.933 4.320 0.000 0.000 0.248 19 A C 0.466 178.053 177.584 0.006 0.000 1.299 19 A CA 1.052 53.090 52.037 0.002 0.000 0.899 19 A CB 0.069 19.069 19.000 -0.000 0.000 0.997 19 A HN 1.384 nan 8.150 nan 0.000 0.506 20 V N 0.805 120.722 119.914 0.006 0.000 2.384 20 V HA 0.377 4.497 4.120 0.000 0.000 0.287 20 V C -0.480 175.622 176.094 0.014 0.000 1.020 20 V CA -0.497 61.809 62.300 0.010 0.000 0.850 20 V CB 1.463 33.291 31.823 0.007 0.000 0.987 20 V HN 0.087 nan 8.190 nan 0.000 0.436 21 V N 3.924 123.851 119.914 0.021 0.000 2.555 21 V HA 0.518 4.638 4.120 0.000 0.000 0.302 21 V C -0.633 175.481 176.094 0.034 0.000 1.038 21 V CA -0.704 61.610 62.300 0.023 0.000 0.887 21 V CB 2.175 34.013 31.823 0.025 0.000 0.991 21 V HN 0.804 nan 8.190 nan 0.000 0.434 22 D N 2.989 123.407 120.400 0.029 0.000 2.217 22 D HA 0.583 5.223 4.640 0.000 0.000 0.243 22 D C -0.819 175.503 176.300 0.036 0.000 1.054 22 D CA -0.082 53.942 54.000 0.041 0.000 0.838 22 D CB 2.376 43.195 40.800 0.031 0.000 1.162 22 D HN 0.231 nan 8.370 nan 0.000 0.472 23 V N 2.527 122.482 119.914 0.067 0.000 2.525 23 V HA 0.202 4.322 4.120 0.000 0.000 0.299 23 V C -0.121 176.016 176.094 0.073 0.000 1.034 23 V CA -0.792 61.533 62.300 0.042 0.000 0.863 23 V CB 2.048 33.927 31.823 0.093 0.000 0.999 23 V HN 0.390 nan 8.190 nan 0.000 0.423 24 Q N 2.729 122.504 119.800 -0.042 0.000 2.261 24 Q HA 0.616 4.956 4.340 0.000 0.000 0.252 24 Q C -1.627 174.281 176.000 -0.153 0.000 0.915 24 Q CA -0.226 55.568 55.803 -0.015 0.000 0.915 24 Q CB 1.322 30.039 28.738 -0.035 0.000 1.204 24 Q HN 0.624 nan 8.270 nan 0.000 0.421 25 F N 1.315 121.249 119.950 -0.026 0.000 2.532 25 F HA 0.230 4.757 4.527 0.000 0.000 0.321 25 F C 0.566 176.348 175.800 -0.030 0.000 1.089 25 F CA -0.630 57.354 58.000 -0.027 0.000 0.926 25 F CB 1.812 40.791 39.000 -0.035 0.000 1.168 25 F HN 0.605 nan 8.300 nan 0.000 0.459 26 D N 0.768 121.243 120.400 0.124 0.000 2.154 26 D HA -0.054 4.586 4.640 0.000 0.000 0.211 26 D C 1.570 177.915 176.300 0.075 0.000 0.977 26 D CA 1.281 55.321 54.000 0.067 0.000 0.869 26 D CB 0.305 41.120 40.800 0.026 0.000 1.022 26 D HN 0.459 nan 8.370 nan 0.000 0.461 27 E N 0.679 120.932 120.200 0.089 0.000 2.156 27 E HA 0.187 4.537 4.350 0.000 0.000 0.225 27 E C 1.200 177.820 176.600 0.035 0.000 0.906 27 E CA 0.098 56.530 56.400 0.052 0.000 0.988 27 E CB -1.061 28.664 29.700 0.041 0.000 1.151 27 E HN 0.094 nan 8.360 nan 0.000 0.504 28 G N 0.796 109.612 108.800 0.026 0.000 2.667 28 G HA2 0.332 4.292 3.960 0.000 0.000 0.250 28 G HA3 0.332 4.292 3.960 0.000 0.000 0.250 28 G C -0.819 174.003 174.900 -0.131 0.000 1.212 28 G CA -0.241 44.833 45.100 -0.043 0.000 0.874 28 G HN 0.051 nan 8.290 nan 0.000 0.561 29 L N 1.031 122.119 121.223 -0.225 0.000 2.410 29 L HA 0.503 4.843 4.340 0.000 0.000 0.270 29 L C -2.176 174.480 176.870 -0.357 0.000 0.983 29 L CA -1.752 52.847 54.840 -0.401 0.000 0.822 29 L CB 2.503 44.324 42.059 -0.398 0.000 1.285 29 L HN 0.295 nan 8.230 nan 0.000 0.409 30 P HA 0.354 nan 4.420 nan 0.000 0.281 30 P C -2.599 174.715 177.300 0.023 0.000 1.252 30 P CA -1.380 61.571 63.100 -0.248 0.000 0.778 30 P CB 0.107 31.612 31.700 -0.325 0.000 0.895 31 P HA -0.004 nan 4.420 nan 0.000 0.271 31 P C 0.266 177.497 177.300 -0.116 0.000 1.233 31 P CA -0.110 62.996 63.100 0.011 0.000 0.795 31 P CB 0.259 31.937 31.700 -0.037 0.000 0.936 32 I N 1.460 121.849 120.570 -0.302 0.000 2.872 32 I HA -0.118 4.052 4.170 0.000 0.000 0.291 32 I C 1.516 177.522 176.117 -0.186 0.000 1.216 32 I CA 0.924 62.053 61.300 -0.285 0.000 1.424 32 I CB -0.771 37.055 38.000 -0.290 0.000 1.351 32 I HN 0.358 nan 8.210 nan 0.000 0.592 33 L N 2.023 123.141 121.223 -0.174 0.000 4.793 33 L HA -0.265 4.075 4.340 0.000 0.000 0.404 33 L C -0.105 176.705 176.870 -0.099 0.000 1.022 33 L CA 0.010 54.724 54.840 -0.211 0.000 1.242 33 L CB -1.597 40.259 42.059 -0.338 0.000 2.049 33 L HN 0.701 nan 8.230 nan 0.000 0.637 34 N N 0.548 119.216 118.700 -0.053 0.000 2.515 34 N HA 0.589 5.329 4.740 0.000 0.000 0.279 34 N C 0.248 175.773 175.510 0.026 0.000 1.164 34 N CA 0.551 53.594 53.050 -0.012 0.000 0.982 34 N CB 1.315 39.786 38.487 -0.027 0.000 1.170 34 N HN 0.239 nan 8.380 nan 0.000 0.474 35 A N 2.504 125.350 122.820 0.043 0.000 2.391 35 A HA 0.400 4.720 4.320 0.000 0.000 0.316 35 A C -0.149 177.475 177.584 0.067 0.000 1.381 35 A CA -0.485 51.588 52.037 0.060 0.000 0.998 35 A CB -0.610 18.428 19.000 0.064 0.000 1.147 35 A HN 0.597 nan 8.150 nan 0.000 0.545 36 L N 2.032 123.306 121.223 0.085 0.000 2.375 36 L HA 0.397 4.737 4.340 0.000 0.000 0.271 36 L C 0.251 177.171 176.870 0.083 0.000 1.107 36 L CA -0.234 54.676 54.840 0.116 0.000 0.806 36 L CB 0.965 43.126 42.059 0.170 0.000 1.146 36 L HN 0.604 nan 8.230 nan 0.000 0.447 37 E N 2.693 122.937 120.200 0.074 0.000 2.346 37 E HA 0.235 4.585 4.350 0.000 0.000 0.239 37 E C -0.862 175.760 176.600 0.036 0.000 0.943 37 E CA -0.565 55.865 56.400 0.049 0.000 0.751 37 E CB 2.030 31.754 29.700 0.041 0.000 1.241 37 E HN 0.279 nan 8.360 nan 0.000 0.423 38 V N 3.366 123.297 119.914 0.030 0.000 2.752 38 V HA -0.157 3.963 4.120 0.000 0.000 0.306 38 V C 0.723 176.821 176.094 0.007 0.000 1.099 38 V CA 0.703 63.011 62.300 0.013 0.000 1.240 38 V CB 0.265 32.095 31.823 0.011 0.000 0.887 38 V HN 0.553 nan 8.190 nan 0.000 0.499 39 Q N 2.543 122.341 119.800 -0.003 0.000 2.222 39 Q HA 0.501 4.841 4.340 0.000 0.000 0.252 39 Q C 0.800 176.797 176.000 -0.005 0.000 0.926 39 Q CA 0.332 56.132 55.803 -0.004 0.000 0.899 39 Q CB 1.654 30.386 28.738 -0.010 0.000 1.250 39 Q HN 1.182 nan 8.270 nan 0.000 0.441 40 G N 2.256 111.054 108.800 -0.003 0.000 2.401 40 G HA2 -0.247 3.713 3.960 0.000 0.000 0.283 40 G HA3 -0.247 3.713 3.960 0.000 0.000 0.283 40 G C -0.358 174.541 174.900 -0.002 0.000 1.117 40 G CA -0.029 45.069 45.100 -0.004 0.000 1.051 40 G HN 0.460 nan 8.290 nan 0.000 0.510 41 R N -1.018 119.482 120.500 0.001 0.000 2.707 41 R HA 0.393 4.734 4.340 0.000 0.000 0.272 41 R C 1.039 177.340 176.300 0.003 0.000 1.011 41 R CA -0.722 55.379 56.100 0.002 0.000 0.893 41 R CB 1.185 31.487 30.300 0.003 0.000 1.233 41 R HN 0.248 nan 8.270 nan 0.000 0.464 42 E N 0.330 120.531 120.200 0.003 0.000 2.153 42 E HA -0.074 4.276 4.350 0.000 0.000 0.194 42 E C -0.110 176.493 176.600 0.005 0.000 0.988 42 E CA 1.192 57.594 56.400 0.003 0.000 0.811 42 E CB 0.191 29.893 29.700 0.003 0.000 0.746 42 E HN 0.500 nan 8.360 nan 0.000 0.466 43 T N 0.256 114.814 114.554 0.006 0.000 2.848 43 T HA 0.360 4.710 4.350 0.000 0.000 0.285 43 T C -0.326 174.380 174.700 0.010 0.000 0.995 43 T CA -0.917 61.188 62.100 0.007 0.000 0.970 43 T CB 1.877 70.749 68.868 0.007 0.000 0.976 43 T HN -0.058 nan 8.240 nan 0.000 0.441 44 R N 1.600 122.107 120.500 0.012 0.000 2.763 44 R HA -0.010 4.330 4.340 0.000 0.000 0.348 44 R C -0.500 175.811 176.300 0.018 0.000 0.826 44 R CA -0.279 55.831 56.100 0.016 0.000 1.109 44 R CB -0.249 30.063 30.300 0.020 0.000 0.889 44 R HN 0.383 nan 8.270 nan 0.000 0.402 45 L N 5.518 126.752 121.223 0.018 0.000 2.321 45 L HA 0.219 4.559 4.340 0.000 0.000 0.272 45 L C -0.584 176.303 176.870 0.027 0.000 1.050 45 L CA -0.449 54.403 54.840 0.020 0.000 0.893 45 L CB 1.331 43.400 42.059 0.016 0.000 1.272 45 L HN 0.206 nan 8.230 nan 0.000 0.435 46 V N 5.895 125.828 119.914 0.032 0.000 2.583 46 V HA 0.297 4.417 4.120 0.000 0.000 0.287 46 V C 0.467 176.587 176.094 0.044 0.000 1.051 46 V CA -0.309 62.016 62.300 0.041 0.000 1.010 46 V CB 1.330 33.180 31.823 0.045 0.000 0.988 46 V HN 0.567 nan 8.190 nan 0.000 0.478 47 L N 4.293 125.548 121.223 0.053 0.000 2.334 47 L HA 0.654 4.994 4.340 0.000 0.000 0.273 47 L C -0.117 176.790 176.870 0.062 0.000 1.013 47 L CA -0.487 54.386 54.840 0.055 0.000 0.816 47 L CB 1.905 44.000 42.059 0.061 0.000 1.278 47 L HN 0.682 nan 8.230 nan 0.000 0.431 48 E N 1.450 121.684 120.200 0.057 0.000 2.210 48 E HA 0.421 4.771 4.350 0.000 0.000 0.266 48 E C -1.391 175.230 176.600 0.035 0.000 0.883 48 E CA -0.769 55.665 56.400 0.056 0.000 0.761 48 E CB 2.137 31.883 29.700 0.077 0.000 1.156 48 E HN 0.320 nan 8.360 nan 0.000 0.412 49 V N 4.144 124.067 119.914 0.015 0.000 2.521 49 V HA 0.225 4.345 4.120 0.000 0.000 0.286 49 V C 0.878 176.947 176.094 -0.043 0.000 1.034 49 V CA 0.686 62.986 62.300 -0.001 0.000 1.045 49 V CB 0.445 32.255 31.823 -0.020 0.000 0.974 49 V HN 0.906 nan 8.190 nan 0.000 0.480 50 A N 4.254 127.058 122.820 -0.027 0.000 1.944 50 A HA 0.281 4.601 4.320 0.000 0.000 0.209 50 A C 0.788 178.329 177.584 -0.071 0.000 1.328 50 A CA 0.304 52.315 52.037 -0.043 0.000 0.693 50 A CB 0.208 19.199 19.000 -0.014 0.000 0.994 50 A HN 0.769 nan 8.150 nan 0.000 0.485 51 Q N -0.836 118.939 119.800 -0.042 0.000 2.423 51 Q HA 0.452 4.792 4.340 0.000 0.000 0.278 51 Q C -1.618 174.393 176.000 0.019 0.000 1.097 51 Q CA -0.554 55.221 55.803 -0.046 0.000 0.809 51 Q CB 1.919 30.655 28.738 -0.003 0.000 1.391 51 Q HN 0.658 nan 8.270 nan 0.000 0.428 52 H N 1.376 120.438 119.070 -0.013 0.000 2.668 52 H HA 0.189 4.745 4.556 0.000 0.000 0.303 52 H C 0.515 175.843 175.328 0.000 0.000 1.074 52 H CA -0.305 55.738 56.048 -0.008 0.000 1.406 52 H CB 1.163 30.913 29.762 -0.019 0.000 1.442 52 H HN 0.435 nan 8.280 nan 0.000 0.482 53 L N 2.789 124.095 121.223 0.138 0.000 2.416 53 L HA 0.210 4.550 4.340 0.000 0.000 0.216 53 L C 0.919 177.819 176.870 0.050 0.000 1.098 53 L CA 0.605 55.490 54.840 0.075 0.000 0.840 53 L CB 0.210 42.306 42.059 0.061 0.000 0.981 53 L HN 0.976 nan 8.230 nan 0.000 0.462 54 G N 0.236 109.058 108.800 0.037 0.000 2.629 54 G HA2 -0.163 3.797 3.960 0.000 0.000 0.686 54 G HA3 -0.163 3.797 3.960 0.000 0.000 0.686 54 G C -0.046 174.859 174.900 0.008 0.000 1.232 54 G CA -0.400 44.708 45.100 0.013 0.000 0.803 54 G HN 0.291 nan 8.290 nan 0.000 0.638 55 E N -0.744 119.455 120.200 -0.000 0.000 2.416 55 E HA -0.187 4.163 4.350 0.000 0.000 0.249 55 E C 1.049 177.654 176.600 0.008 0.000 1.124 55 E CA 1.083 57.485 56.400 0.003 0.000 0.732 55 E CB -1.501 28.204 29.700 0.008 0.000 1.286 55 E HN 2.009 nan 8.360 nan 0.000 0.394 56 S N -1.601 114.094 115.700 -0.009 0.000 3.419 56 S HA -0.239 4.231 4.470 0.000 0.000 0.350 56 S C 0.237 174.872 174.600 0.058 0.000 1.128 56 S CA 1.545 59.746 58.200 0.002 0.000 0.999 56 S CB -0.982 62.237 63.200 0.031 0.000 0.923 56 S HN 0.469 nan 8.310 nan 0.000 0.522 57 T N 1.314 115.894 114.554 0.044 0.000 2.859 57 T HA 0.646 4.996 4.350 0.000 0.000 0.281 57 T C 0.317 175.080 174.700 0.104 0.000 1.005 57 T CA -0.274 61.878 62.100 0.087 0.000 1.025 57 T CB 1.842 70.746 68.868 0.059 0.000 0.977 57 T HN 0.512 nan 8.240 nan 0.000 0.458 58 V N 1.078 121.091 119.914 0.165 0.000 2.960 58 V HA 0.806 4.926 4.120 0.000 0.000 0.315 58 V C -0.390 175.786 176.094 0.136 0.000 1.087 58 V CA -1.408 61.008 62.300 0.194 0.000 0.982 58 V CB 1.888 33.857 31.823 0.244 0.000 1.039 58 V HN 0.857 nan 8.190 nan 0.000 0.437 59 R N 1.469 122.031 120.500 0.104 0.000 2.598 59 R HA 0.851 5.191 4.340 0.000 0.000 0.279 59 R C -0.378 175.956 176.300 0.056 0.000 0.984 59 R CA 0.411 56.551 56.100 0.066 0.000 0.999 59 R CB 1.862 32.188 30.300 0.042 0.000 1.114 59 R HN 1.224 nan 8.270 nan 0.000 0.493 60 T N 0.992 115.574 114.554 0.047 0.000 2.868 60 T HA 0.460 4.810 4.350 0.000 0.000 0.306 60 T C -0.175 174.542 174.700 0.029 0.000 1.224 60 T CA -1.006 61.119 62.100 0.041 0.000 1.012 60 T CB 0.929 69.831 68.868 0.058 0.000 1.221 60 T HN 0.605 nan 8.240 nan 0.000 0.499 61 I N -0.200 120.386 120.570 0.027 0.000 2.460 61 I HA 0.871 5.041 4.170 0.000 0.000 0.298 61 I C 0.020 176.155 176.117 0.029 0.000 0.989 61 I CA -1.440 59.873 61.300 0.022 0.000 1.173 61 I CB 1.431 39.441 38.000 0.017 0.000 1.338 61 I HN 0.922 nan 8.210 nan 0.000 0.456 62 A N 6.649 129.483 122.820 0.023 0.000 2.309 62 A HA 0.574 4.894 4.320 0.000 0.000 0.298 62 A C 0.460 178.058 177.584 0.023 0.000 1.165 62 A CA -0.724 51.327 52.037 0.024 0.000 0.821 62 A CB 0.853 19.864 19.000 0.018 0.000 1.102 62 A HN 0.821 nan 8.150 nan 0.000 0.500 63 M N 1.845 121.462 119.600 0.028 0.000 2.652 63 M HA 0.232 4.712 4.480 0.000 0.000 0.226 63 M C -0.018 176.293 176.300 0.020 0.000 1.244 63 M CA 0.470 55.786 55.300 0.026 0.000 0.986 63 M CB -1.539 31.080 32.600 0.031 0.000 1.666 63 M HN 0.795 nan 8.290 nan 0.000 0.460 64 D N -1.428 118.982 120.400 0.016 0.000 2.997 64 D HA 0.135 4.775 4.640 0.000 0.000 0.276 64 D C -0.553 175.752 176.300 0.010 0.000 1.141 64 D CA -0.165 53.843 54.000 0.012 0.000 0.727 64 D CB 0.919 41.727 40.800 0.013 0.000 1.306 64 D HN 0.245 nan 8.370 nan 0.000 0.439 65 G N -0.502 108.302 108.800 0.007 0.000 2.670 65 G HA2 0.278 4.238 3.960 0.000 0.000 0.233 65 G HA3 0.278 4.238 3.960 0.000 0.000 0.233 65 G C 0.976 175.879 174.900 0.005 0.000 1.251 65 G CA 0.961 46.063 45.100 0.005 0.000 0.849 65 G HN 0.479 nan 8.290 nan 0.000 0.588 66 T N -2.108 112.448 114.554 0.004 0.000 3.044 66 T HA 0.156 4.506 4.350 0.000 0.000 0.260 66 T C 0.763 175.463 174.700 0.002 0.000 1.019 66 T CA 0.307 62.409 62.100 0.004 0.000 0.921 66 T CB 0.053 68.923 68.868 0.004 0.000 1.053 66 T HN 0.684 nan 8.240 nan 0.000 0.533 67 E N 2.350 122.550 120.200 0.001 0.000 2.568 67 E HA 0.187 4.537 4.350 0.000 0.000 0.262 67 E C 1.171 177.770 176.600 -0.001 0.000 0.961 67 E CA 0.921 57.321 56.400 -0.000 0.000 0.945 67 E CB -0.417 29.283 29.700 -0.000 0.000 0.924 67 E HN 0.643 nan 8.360 nan 0.000 0.467 68 G N 2.719 111.518 108.800 -0.002 0.000 2.159 68 G HA2 -0.276 3.684 3.960 0.000 0.000 0.256 68 G HA3 -0.276 3.684 3.960 0.000 0.000 0.256 68 G C 0.222 175.119 174.900 -0.004 0.000 0.977 68 G CA 0.244 45.342 45.100 -0.003 0.000 0.652 68 G HN 0.486 nan 8.290 nan 0.000 0.531 69 L N 0.550 121.771 121.223 -0.004 0.000 2.426 69 L HA 0.519 4.859 4.340 0.000 0.000 0.271 69 L C 0.744 177.609 176.870 -0.008 0.000 1.169 69 L CA -0.651 54.185 54.840 -0.006 0.000 0.836 69 L CB 1.241 43.297 42.059 -0.005 0.000 1.112 69 L HN -0.014 nan 8.230 nan 0.000 0.465 70 V N 2.374 122.281 119.914 -0.012 0.000 2.667 70 V HA 0.392 4.512 4.120 0.000 0.000 0.308 70 V C -0.016 176.067 176.094 -0.018 0.000 1.048 70 V CA -1.056 61.236 62.300 -0.013 0.000 0.928 70 V CB 1.731 33.546 31.823 -0.013 0.000 1.004 70 V HN 0.732 nan 8.190 nan 0.000 0.444 71 R N 2.681 123.171 120.500 -0.017 0.000 2.404 71 R HA 0.488 4.828 4.340 0.000 0.000 0.315 71 R C 0.955 177.239 176.300 -0.027 0.000 1.032 71 R CA 0.477 56.565 56.100 -0.021 0.000 0.992 71 R CB -0.265 30.025 30.300 -0.017 0.000 0.959 71 R HN 1.204 nan 8.270 nan 0.000 0.428 72 G N 1.845 110.623 108.800 -0.037 0.000 2.336 72 G HA2 -0.268 3.692 3.960 0.000 0.000 0.194 72 G HA3 -0.268 3.692 3.960 0.000 0.000 0.194 72 G C 0.161 175.031 174.900 -0.049 0.000 0.999 72 G CA -0.295 44.779 45.100 -0.043 0.000 0.669 72 G HN 0.608 nan 8.290 nan 0.000 0.482 73 Q N 1.101 120.876 119.800 -0.043 0.000 2.283 73 Q HA 0.402 4.742 4.340 0.000 0.000 0.301 73 Q C 0.333 176.297 176.000 -0.061 0.000 1.063 73 Q CA 0.470 56.248 55.803 -0.042 0.000 0.952 73 Q CB 0.311 29.030 28.738 -0.030 0.000 1.166 73 Q HN 0.275 nan 8.270 nan 0.000 0.381 74 K N 1.783 122.149 120.400 -0.056 0.000 2.368 74 K HA 0.229 4.549 4.320 0.000 0.000 0.282 74 K C -1.298 175.260 176.600 -0.070 0.000 1.035 74 K CA -0.042 56.201 56.287 -0.073 0.000 0.973 74 K CB 0.895 33.364 32.500 -0.052 0.000 0.957 74 K HN 0.340 nan 8.250 nan 0.000 0.474 75 V N 4.683 124.531 119.914 -0.110 0.000 2.604 75 V HA 0.362 4.482 4.120 0.000 0.000 0.305 75 V C -0.924 175.148 176.094 -0.038 0.000 1.043 75 V CA -1.034 61.224 62.300 -0.070 0.000 0.888 75 V CB 1.769 33.541 31.823 -0.085 0.000 0.995 75 V HN 0.554 nan 8.190 nan 0.000 0.429 76 L N 4.073 125.320 121.223 0.040 0.000 2.316 76 L HA 0.533 4.873 4.340 0.000 0.000 0.280 76 L C -0.466 176.490 176.870 0.143 0.000 1.006 76 L CA -0.226 54.664 54.840 0.083 0.000 0.836 76 L CB 1.374 43.460 42.059 0.045 0.000 1.221 76 L HN 0.798 nan 8.230 nan 0.000 0.418 77 D N 2.660 123.202 120.400 0.237 0.000 2.450 77 D HA -0.039 4.601 4.640 0.000 0.000 0.247 77 D C 1.118 177.467 176.300 0.082 0.000 1.162 77 D CA 0.363 54.466 54.000 0.173 0.000 0.879 77 D CB 1.376 42.256 40.800 0.134 0.000 1.163 77 D HN 0.609 nan 8.370 nan 0.000 0.472 78 S N 2.526 118.259 115.700 0.055 0.000 2.558 78 S HA 0.173 4.643 4.470 0.000 0.000 0.217 78 S C 1.611 176.219 174.600 0.012 0.000 0.975 78 S CA 0.446 58.664 58.200 0.030 0.000 0.912 78 S CB -0.169 63.049 63.200 0.030 0.000 0.776 78 S HN 0.964 nan 8.310 nan 0.000 0.526 79 G N 0.285 109.089 108.800 0.006 0.000 2.143 79 G HA2 0.133 4.093 3.960 0.000 0.000 0.248 79 G HA3 0.133 4.093 3.960 0.000 0.000 0.248 79 G C 0.150 175.047 174.900 -0.005 0.000 0.991 79 G CA -0.082 45.013 45.100 -0.008 0.000 0.689 79 G HN 1.597 nan 8.290 nan 0.000 0.522 80 A N -1.465 121.358 122.820 0.006 0.000 2.540 80 A HA 0.923 5.243 4.320 0.000 0.000 0.291 80 A C -2.947 174.657 177.584 0.034 0.000 1.083 80 A CA -0.410 51.637 52.037 0.017 0.000 0.650 80 A CB 0.810 19.824 19.000 0.023 0.000 1.292 80 A HN 0.123 nan 8.150 nan 0.000 0.435 81 P HA 0.432 nan 4.420 nan 0.000 0.293 81 P C -0.317 177.050 177.300 0.111 0.000 1.298 81 P CA -0.488 62.674 63.100 0.102 0.000 0.757 81 P CB 0.203 32.011 31.700 0.180 0.000 1.262 82 I N 0.280 120.933 120.570 0.140 0.000 2.683 82 I HA -0.021 4.149 4.170 0.000 0.000 0.286 82 I C 1.021 177.192 176.117 0.089 0.000 1.175 82 I CA 0.832 62.190 61.300 0.097 0.000 1.429 82 I CB -0.120 37.924 38.000 0.074 0.000 1.371 82 I HN 0.113 nan 8.210 nan 0.000 0.569 83 R N 6.818 127.381 120.500 0.105 0.000 2.599 83 R HA 0.729 5.069 4.340 0.000 0.000 0.295 83 R C -1.050 175.354 176.300 0.174 0.000 0.963 83 R CA -0.819 55.370 56.100 0.148 0.000 0.883 83 R CB 2.021 32.437 30.300 0.192 0.000 1.171 83 R HN 0.533 nan 8.270 nan 0.000 0.450 84 I N -1.181 119.440 120.570 0.084 0.000 2.934 84 I HA 0.634 4.804 4.170 0.000 0.000 0.306 84 I C -2.808 173.087 176.117 -0.369 0.000 1.110 84 I CA -3.213 58.038 61.300 -0.082 0.000 1.019 84 I CB 1.887 39.840 38.000 -0.079 0.000 1.227 84 I HN 0.338 nan 8.210 nan 0.000 0.434 85 P HA 0.391 nan 4.420 nan 0.000 0.272 85 P C -0.837 176.166 177.300 -0.494 0.000 1.223 85 P CA -0.249 62.327 63.100 -0.873 0.000 0.784 85 P CB 0.960 32.244 31.700 -0.694 0.000 0.923 86 V N -1.868 117.741 119.914 -0.509 0.000 3.206 86 V HA 0.986 5.106 4.120 0.000 0.000 0.305 86 V C -0.244 175.332 176.094 -0.864 0.000 1.257 86 V CA -0.068 61.906 62.300 -0.544 0.000 1.057 86 V CB 1.343 32.894 31.823 -0.454 0.000 1.075 86 V HN 1.003 nan 8.190 nan 0.000 0.443 87 G N 1.798 109.835 108.800 -1.271 0.000 2.498 87 G HA2 0.033 3.993 3.960 0.000 0.000 0.651 87 G HA3 0.033 3.993 3.960 0.000 0.000 0.651 87 G C -2.656 171.984 174.900 -0.434 0.000 1.284 87 G CA -0.046 44.249 45.100 -1.342 0.000 0.950 87 G HN 0.793 nan 8.290 nan 0.000 0.511 88 P HA 0.116 nan 4.420 nan 0.000 0.226 88 P C 1.204 178.469 177.300 -0.058 0.000 1.153 88 P CA 1.283 64.404 63.100 0.035 0.000 0.777 88 P CB 0.058 31.799 31.700 0.068 0.000 0.794 89 E N -1.299 118.837 120.200 -0.107 0.000 2.516 89 E HA -0.080 4.270 4.350 0.000 0.000 0.199 89 E C 1.633 178.170 176.600 -0.105 0.000 1.069 89 E CA 1.167 57.506 56.400 -0.101 0.000 0.876 89 E CB -0.882 28.750 29.700 -0.112 0.000 0.843 89 E HN 0.408 nan 8.360 nan 0.000 0.530 90 T N -1.863 112.635 114.554 -0.094 0.000 3.031 90 T HA 0.088 4.438 4.350 0.000 0.000 0.254 90 T C 0.912 175.577 174.700 -0.059 0.000 1.060 90 T CA -0.263 61.790 62.100 -0.078 0.000 1.135 90 T CB -0.252 68.585 68.868 -0.053 0.000 0.896 90 T HN -0.012 nan 8.240 nan 0.000 0.472 91 L N 2.557 123.743 121.223 -0.062 0.000 2.700 91 L HA 0.314 4.654 4.340 0.000 0.000 0.276 91 L C 1.740 178.561 176.870 -0.080 0.000 1.200 91 L CA 1.088 55.860 54.840 -0.114 0.000 0.951 91 L CB -0.440 41.471 42.059 -0.247 0.000 1.226 91 L HN 0.655 nan 8.230 nan 0.000 0.489 92 G N 1.800 110.568 108.800 -0.054 0.000 2.234 92 G HA2 -0.205 3.755 3.960 0.000 0.000 0.235 92 G HA3 -0.205 3.755 3.960 0.000 0.000 0.235 92 G C 0.482 175.372 174.900 -0.016 0.000 0.997 92 G CA -0.494 44.599 45.100 -0.012 0.000 0.623 92 G HN 0.458 nan 8.290 nan 0.000 0.514 93 R N 0.073 120.530 120.500 -0.072 0.000 2.546 93 R HA 0.751 5.091 4.340 0.000 0.000 0.266 93 R C 0.140 176.306 176.300 -0.224 0.000 1.086 93 R CA -0.802 55.224 56.100 -0.124 0.000 1.160 93 R CB 0.403 30.635 30.300 -0.113 0.000 1.138 93 R HN 0.319 nan 8.270 nan 0.000 0.567 94 I N 2.799 123.183 120.570 -0.311 0.000 2.466 94 I HA 0.257 4.427 4.170 0.000 0.000 0.279 94 I C 0.221 176.151 176.117 -0.311 0.000 1.033 94 I CA -0.399 60.636 61.300 -0.442 0.000 1.123 94 I CB 1.150 38.715 38.000 -0.724 0.000 1.237 94 I HN 0.371 nan 8.210 nan 0.000 0.460 95 M N 5.303 124.769 119.600 -0.223 0.000 2.478 95 M HA 0.539 5.019 4.480 0.000 0.000 0.327 95 M C -0.576 175.659 176.300 -0.108 0.000 1.187 95 M CA -0.378 54.833 55.300 -0.148 0.000 1.022 95 M CB 1.682 34.212 32.600 -0.117 0.000 1.629 95 M HN 0.442 nan 8.290 nan 0.000 0.461 96 N N 1.956 120.615 118.700 -0.068 0.000 2.431 96 N HA 0.094 4.834 4.740 0.000 0.000 0.289 96 N C 0.648 176.153 175.510 -0.007 0.000 1.277 96 N CA -0.437 52.601 53.050 -0.020 0.000 0.972 96 N CB 0.064 38.547 38.487 -0.008 0.000 1.143 96 N HN 0.649 nan 8.380 nan 0.000 0.578 97 V N -0.557 119.363 119.914 0.010 0.000 2.469 97 V HA -0.116 4.004 4.120 0.000 0.000 0.251 97 V C 1.480 177.573 176.094 -0.001 0.000 1.064 97 V CA 1.880 64.184 62.300 0.007 0.000 1.066 97 V CB -0.872 30.960 31.823 0.015 0.000 0.667 97 V HN 0.647 nan 8.190 nan 0.000 0.461 98 I N -2.587 117.986 120.570 0.004 0.000 3.884 98 I HA 0.603 4.773 4.170 0.000 0.000 0.330 98 I C 1.298 177.419 176.117 0.006 0.000 1.451 98 I CA 0.484 61.791 61.300 0.012 0.000 1.165 98 I CB -0.145 37.870 38.000 0.026 0.000 1.097 98 I HN 0.309 nan 8.210 nan 0.000 0.404 99 G N 1.096 109.883 108.800 -0.022 0.000 2.195 99 G HA2 -0.238 3.722 3.960 0.000 0.000 0.246 99 G HA3 -0.238 3.722 3.960 0.000 0.000 0.246 99 G C -0.026 174.843 174.900 -0.052 0.000 0.984 99 G CA -0.035 45.034 45.100 -0.051 0.000 0.633 99 G HN 0.635 nan 8.290 nan 0.000 0.525 100 E N 1.809 121.991 120.200 -0.030 0.000 2.360 100 E HA 0.349 4.699 4.350 0.000 0.000 0.269 100 E C -2.522 174.042 176.600 -0.060 0.000 1.022 100 E CA -1.531 54.850 56.400 -0.031 0.000 0.887 100 E CB 0.835 30.525 29.700 -0.016 0.000 0.990 100 E HN 0.228 nan 8.360 nan 0.000 0.426 101 P HA 0.089 nan 4.420 nan 0.000 0.280 101 P C 0.157 177.403 177.300 -0.090 0.000 1.244 101 P CA -0.017 63.027 63.100 -0.093 0.000 0.784 101 P CB 0.374 32.025 31.700 -0.081 0.000 0.913 102 I N -0.751 119.740 120.570 -0.131 0.000 3.966 102 I HA 0.279 4.449 4.170 0.000 0.000 0.324 102 I C -0.058 175.970 176.117 -0.149 0.000 1.517 102 I CA -0.189 61.040 61.300 -0.118 0.000 1.117 102 I CB 0.248 38.180 38.000 -0.113 0.000 1.190 102 I HN 0.043 nan 8.210 nan 0.000 0.466 103 D N 0.704 121.005 120.400 -0.165 0.000 2.342 103 D HA 0.000 4.640 4.640 0.000 0.000 0.221 103 D C 0.500 176.779 176.300 -0.035 0.000 1.101 103 D CA -0.111 53.796 54.000 -0.154 0.000 0.837 103 D CB -0.176 40.488 40.800 -0.227 0.000 0.938 103 D HN 0.486 nan 8.370 nan 0.000 0.508 104 E N -0.122 120.058 120.200 -0.035 0.000 3.065 104 E HA -0.278 4.072 4.350 0.000 0.000 0.277 104 E C 0.059 176.661 176.600 0.003 0.000 1.008 104 E CA 0.457 56.854 56.400 -0.006 0.000 0.864 104 E CB -1.408 28.300 29.700 0.013 0.000 1.439 104 E HN 0.513 nan 8.360 nan 0.000 0.445 105 R N 0.521 121.018 120.500 -0.004 0.000 3.179 105 R HA 0.326 4.666 4.340 0.000 0.000 0.317 105 R C 0.947 177.242 176.300 -0.009 0.000 1.331 105 R CA 0.362 56.464 56.100 0.004 0.000 1.184 105 R CB 0.773 31.083 30.300 0.016 0.000 1.408 105 R HN 0.327 nan 8.270 nan 0.000 0.598 106 G N 1.981 110.774 108.800 -0.011 0.000 2.584 106 G HA2 -0.243 3.717 3.960 0.000 0.000 0.229 106 G HA3 -0.243 3.717 3.960 0.000 0.000 0.229 106 G C -2.801 172.087 174.900 -0.020 0.000 1.320 106 G CA -1.009 44.084 45.100 -0.011 0.000 0.891 106 G HN 0.227 nan 8.290 nan 0.000 0.573 107 P HA 0.667 nan 4.420 nan 0.000 0.292 107 P C -0.386 176.892 177.300 -0.037 0.000 1.308 107 P CA -0.899 62.188 63.100 -0.022 0.000 0.933 107 P CB 1.082 32.780 31.700 -0.004 0.000 1.217 108 I N 1.600 122.135 120.570 -0.058 0.000 2.260 108 I HA 0.129 4.299 4.170 0.000 0.000 0.297 108 I C 0.645 176.710 176.117 -0.087 0.000 1.143 108 I CA -0.389 60.856 61.300 -0.090 0.000 1.271 108 I CB -0.246 37.672 38.000 -0.136 0.000 1.461 108 I HN 0.070 nan 8.210 nan 0.000 0.530 109 K N 5.565 125.931 120.400 -0.058 0.000 2.167 109 K HA 0.336 4.656 4.320 0.000 0.000 0.275 109 K C -0.494 176.078 176.600 -0.047 0.000 1.103 109 K CA -0.179 56.090 56.287 -0.030 0.000 0.963 109 K CB -0.405 32.087 32.500 -0.014 0.000 1.243 109 K HN 0.380 nan 8.250 nan 0.000 0.407 110 T N 1.307 115.828 114.554 -0.055 0.000 2.906 110 T HA 0.212 4.562 4.350 0.000 0.000 0.295 110 T C 0.823 175.554 174.700 0.052 0.000 1.061 110 T CA -1.144 60.916 62.100 -0.068 0.000 1.000 110 T CB 2.052 70.795 68.868 -0.208 0.000 1.103 110 T HN 0.356 nan 8.240 nan 0.000 0.486 111 K N 1.015 121.441 120.400 0.044 0.000 1.991 111 K HA -0.016 4.304 4.320 0.000 0.000 0.207 111 K C 0.291 177.008 176.600 0.194 0.000 1.045 111 K CA 0.858 57.208 56.287 0.105 0.000 0.937 111 K CB -0.226 32.309 32.500 0.058 0.000 0.720 111 K HN 0.470 nan 8.250 nan 0.000 0.438 112 Q N 0.494 120.348 119.800 0.089 0.000 2.352 112 Q HA 0.296 4.636 4.340 0.000 0.000 0.260 112 Q C -0.631 175.470 176.000 0.169 0.000 0.976 112 Q CA 0.245 56.122 55.803 0.123 0.000 0.881 112 Q CB 0.501 29.247 28.738 0.014 0.000 1.235 112 Q HN 0.105 nan 8.270 nan 0.000 0.419 113 F N -0.140 119.779 119.950 -0.052 0.000 2.639 113 F HA 0.882 5.409 4.527 0.000 0.000 0.339 113 F C -0.174 175.610 175.800 -0.027 0.000 1.071 113 F CA -1.232 56.738 58.000 -0.049 0.000 0.994 113 F CB 1.808 40.788 39.000 -0.032 0.000 1.341 113 F HN 0.553 nan 8.300 nan 0.000 0.498 114 A N 0.451 123.362 122.820 0.151 0.000 2.604 114 A HA 0.761 5.081 4.320 0.000 0.000 0.295 114 A C -1.676 175.958 177.584 0.082 0.000 1.067 114 A CA -0.627 51.466 52.037 0.093 0.000 0.683 114 A CB 0.867 19.896 19.000 0.048 0.000 1.281 114 A HN 0.984 nan 8.150 nan 0.000 0.407 115 A N 1.031 123.895 122.820 0.074 0.000 2.363 115 A HA 0.539 4.859 4.320 0.000 0.000 0.270 115 A C 1.161 178.772 177.584 0.044 0.000 1.121 115 A CA 0.039 52.121 52.037 0.075 0.000 0.800 115 A CB -0.384 18.668 19.000 0.086 0.000 1.052 115 A HN 1.654 nan 8.150 nan 0.000 0.493 116 I N 0.081 120.657 120.570 0.011 0.000 2.353 116 I HA -0.043 4.127 4.170 0.000 0.000 0.248 116 I C 0.634 176.672 176.117 -0.131 0.000 1.119 116 I CA 0.551 61.799 61.300 -0.086 0.000 1.417 116 I CB -0.622 37.281 38.000 -0.162 0.000 1.078 116 I HN 0.549 nan 8.210 nan 0.000 0.421 117 H N 2.360 121.441 119.070 0.017 0.000 2.551 117 H HA 0.738 5.294 4.556 0.000 0.000 0.358 117 H C -0.069 175.267 175.328 0.013 0.000 1.151 117 H CA 0.252 56.308 56.048 0.014 0.000 1.374 117 H CB 1.400 31.169 29.762 0.012 0.000 1.473 117 H HN 0.499 nan 8.280 nan 0.000 0.574 118 A N 1.617 124.522 122.820 0.141 0.000 2.481 118 A HA 0.222 4.542 4.320 0.000 0.000 0.295 118 A C -1.265 176.355 177.584 0.059 0.000 0.986 118 A CA -0.868 51.216 52.037 0.078 0.000 0.617 118 A CB 1.029 20.060 19.000 0.052 0.000 1.364 118 A HN 0.653 nan 8.150 nan 0.000 0.452 119 E N 0.494 120.720 120.200 0.042 0.000 2.214 119 E HA 0.570 4.920 4.350 0.000 0.000 0.274 119 E C 0.300 176.918 176.600 0.029 0.000 0.977 119 E CA -0.404 56.018 56.400 0.037 0.000 0.827 119 E CB 2.040 31.759 29.700 0.033 0.000 1.130 119 E HN 1.112 nan 8.360 nan 0.000 0.394 120 A N 3.946 126.784 122.820 0.031 0.000 2.561 120 A HA 0.117 4.437 4.320 0.000 0.000 0.234 120 A C -2.071 175.528 177.584 0.025 0.000 1.055 120 A CA -0.758 51.295 52.037 0.027 0.000 0.756 120 A CB -0.690 18.332 19.000 0.037 0.000 0.986 120 A HN 0.323 nan 8.150 nan 0.000 0.505 121 P HA -0.028 nan 4.420 nan 0.000 0.263 121 P C -0.037 177.277 177.300 0.024 0.000 1.162 121 P CA 0.528 63.632 63.100 0.006 0.000 0.758 121 P CB 0.359 32.050 31.700 -0.014 0.000 0.773 122 E N 1.940 122.159 120.200 0.032 0.000 2.408 122 E HA -0.030 4.320 4.350 0.000 0.000 0.259 122 E C 0.909 177.561 176.600 0.087 0.000 1.110 122 E CA -0.139 56.302 56.400 0.069 0.000 0.929 122 E CB 0.118 29.855 29.700 0.063 0.000 0.971 122 E HN 0.421 nan 8.360 nan 0.000 0.438 123 F N 2.250 122.200 119.950 0.000 0.000 2.154 123 F HA -0.252 4.275 4.527 0.000 0.000 0.301 123 F C 1.923 177.722 175.800 -0.003 0.000 1.087 123 F CA 1.852 59.851 58.000 -0.001 0.000 1.274 123 F CB 0.056 39.055 39.000 -0.001 0.000 1.009 123 F HN 0.314 nan 8.300 nan 0.000 0.485 124 V N -1.742 118.249 119.914 0.127 0.000 3.217 124 V HA -0.067 4.053 4.120 0.000 0.000 0.264 124 V C 1.386 177.448 176.094 -0.054 0.000 1.135 124 V CA 1.800 64.130 62.300 0.049 0.000 1.142 124 V CB -0.592 31.294 31.823 0.104 0.000 0.754 124 V HN 0.455 nan 8.190 nan 0.000 0.484 125 E N 0.198 120.359 120.200 -0.065 0.000 2.472 125 E HA 0.231 4.581 4.350 0.000 0.000 0.196 125 E C 0.443 176.981 176.600 -0.105 0.000 1.033 125 E CA -0.218 56.143 56.400 -0.065 0.000 0.886 125 E CB 0.112 29.792 29.700 -0.034 0.000 0.944 125 E HN 0.503 nan 8.360 nan 0.000 0.492 126 M N 1.457 120.948 119.600 -0.182 0.000 2.217 126 M HA 0.089 4.570 4.480 0.000 0.000 0.354 126 M C 0.490 176.686 176.300 -0.173 0.000 1.225 126 M CA 0.009 55.195 55.300 -0.191 0.000 1.137 126 M CB 0.947 33.373 32.600 -0.289 0.000 1.576 126 M HN -0.130 nan 8.290 nan 0.000 0.461 127 S N 2.222 117.849 115.700 -0.121 0.000 2.545 127 S HA 0.278 4.748 4.470 0.000 0.000 0.275 127 S C 0.813 175.349 174.600 -0.106 0.000 1.299 127 S CA -0.761 57.379 58.200 -0.100 0.000 1.048 127 S CB 0.794 63.950 63.200 -0.072 0.000 0.938 127 S HN 0.634 nan 8.310 nan 0.000 0.496 128 V N 1.010 120.866 119.914 -0.096 0.000 3.649 128 V HA 0.437 4.557 4.120 0.000 0.000 0.275 128 V C 0.237 176.296 176.094 -0.057 0.000 1.281 128 V CA 0.028 62.278 62.300 -0.083 0.000 1.143 128 V CB -0.610 31.168 31.823 -0.075 0.000 0.892 128 V HN 0.700 nan 8.190 nan 0.000 0.441 129 E N 1.751 121.919 120.200 -0.053 0.000 2.266 129 E HA 0.500 4.850 4.350 0.000 0.000 0.277 129 E C -0.659 175.916 176.600 -0.042 0.000 1.018 129 E CA -0.060 56.314 56.400 -0.042 0.000 0.840 129 E CB 1.418 31.096 29.700 -0.037 0.000 1.082 129 E HN 0.684 nan 8.360 nan 0.000 0.395 130 Q N 1.851 121.628 119.800 -0.038 0.000 2.341 130 Q HA 0.368 4.708 4.340 0.000 0.000 0.268 130 Q C -0.640 175.340 176.000 -0.034 0.000 1.013 130 Q CA -0.545 55.236 55.803 -0.037 0.000 0.798 130 Q CB 1.751 30.467 28.738 -0.037 0.000 1.253 130 Q HN 0.407 nan 8.270 nan 0.000 0.457 131 E N 1.473 121.654 120.200 -0.032 0.000 2.393 131 E HA 0.543 4.893 4.350 0.000 0.000 0.273 131 E C -0.980 175.606 176.600 -0.023 0.000 0.918 131 E CA -1.159 55.225 56.400 -0.027 0.000 0.773 131 E CB 1.830 31.515 29.700 -0.025 0.000 1.275 131 E HN 0.522 nan 8.360 nan 0.000 0.451 132 I N 1.594 122.157 120.570 -0.012 0.000 2.396 132 I HA 0.196 4.366 4.170 0.000 0.000 0.289 132 I C -0.710 175.405 176.117 -0.004 0.000 1.056 132 I CA -0.803 60.500 61.300 0.005 0.000 1.365 132 I CB 0.573 38.585 38.000 0.020 0.000 1.407 132 I HN 0.610 nan 8.210 nan 0.000 0.509 133 L N 8.947 130.167 121.223 -0.005 0.000 2.433 133 L HA 0.333 4.673 4.340 0.000 0.000 0.275 133 L C -0.629 176.266 176.870 0.042 0.000 1.128 133 L CA 0.277 55.090 54.840 -0.046 0.000 0.875 133 L CB 0.551 42.595 42.059 -0.025 0.000 1.171 133 L HN 0.508 nan 8.230 nan 0.000 0.463 134 V N 4.919 124.894 119.914 0.102 0.000 2.546 134 V HA 0.248 4.368 4.120 0.000 0.000 0.284 134 V C 1.347 177.569 176.094 0.212 0.000 1.050 134 V CA 0.351 62.759 62.300 0.180 0.000 0.981 134 V CB 1.026 32.980 31.823 0.220 0.000 0.990 134 V HN 0.965 nan 8.190 nan 0.000 0.474 135 T N -0.443 114.154 114.554 0.072 0.000 3.022 135 T HA 0.245 4.595 4.350 0.000 0.000 0.250 135 T C 1.487 176.208 174.700 0.035 0.000 1.060 135 T CA 0.754 62.879 62.100 0.042 0.000 1.013 135 T CB 0.370 69.197 68.868 -0.069 0.000 0.982 135 T HN 1.526 nan 8.240 nan 0.000 0.508 136 G N 1.965 110.789 108.800 0.040 0.000 2.189 136 G HA2 -0.231 3.729 3.960 0.000 0.000 0.267 136 G HA3 -0.231 3.729 3.960 0.000 0.000 0.267 136 G C 0.090 175.029 174.900 0.066 0.000 0.975 136 G CA 0.362 45.488 45.100 0.044 0.000 0.644 136 G HN 0.714 nan 8.290 nan 0.000 0.537 137 I N 0.438 121.043 120.570 0.058 0.000 2.371 137 I HA 0.227 4.397 4.170 0.000 0.000 0.290 137 I C 1.603 177.744 176.117 0.039 0.000 1.028 137 I CA -0.569 60.797 61.300 0.111 0.000 1.345 137 I CB 1.207 39.291 38.000 0.140 0.000 1.407 137 I HN -0.031 nan 8.210 nan 0.000 0.501 138 K N 3.764 124.181 120.400 0.029 0.000 2.002 138 K HA -0.123 4.197 4.320 0.000 0.000 0.209 138 K C 1.833 178.404 176.600 -0.048 0.000 1.048 138 K CA 1.275 57.554 56.287 -0.013 0.000 0.930 138 K CB -0.093 32.367 32.500 -0.067 0.000 0.714 138 K HN 0.548 nan 8.250 nan 0.000 0.438 139 V N 1.124 121.016 119.914 -0.036 0.000 2.252 139 V HA -0.279 3.841 4.120 0.000 0.000 0.249 139 V C 2.344 178.392 176.094 -0.075 0.000 1.056 139 V CA 1.847 64.107 62.300 -0.067 0.000 1.022 139 V CB -0.729 31.091 31.823 -0.005 0.000 0.641 139 V HN 0.083 nan 8.190 nan 0.000 0.445 140 V N 0.282 120.155 119.914 -0.067 0.000 2.244 140 V HA -0.235 3.885 4.120 0.000 0.000 0.244 140 V C 2.357 178.382 176.094 -0.115 0.000 1.042 140 V CA 2.305 64.524 62.300 -0.135 0.000 1.006 140 V CB -0.833 30.810 31.823 -0.300 0.000 0.641 140 V HN 0.497 nan 8.190 nan 0.000 0.446 141 D N -0.119 120.227 120.400 -0.090 0.000 2.149 141 D HA -0.159 4.481 4.640 0.000 0.000 0.198 141 D C 1.888 178.244 176.300 0.093 0.000 0.990 141 D CA 1.282 55.282 54.000 -0.000 0.000 0.839 141 D CB -0.217 40.594 40.800 0.018 0.000 0.948 141 D HN 0.362 nan 8.370 nan 0.000 0.460 142 L N -0.175 121.046 121.223 -0.004 0.000 2.049 142 L HA 0.000 4.340 4.340 0.000 0.000 0.203 142 L C 1.965 178.866 176.870 0.052 0.000 1.074 142 L CA 1.454 56.271 54.840 -0.038 0.000 0.749 142 L CB -0.233 41.662 42.059 -0.274 0.000 0.907 142 L HN -0.023 nan 8.230 nan 0.000 0.439 143 L N -1.001 120.198 121.223 -0.040 0.000 2.425 143 L HA 0.343 4.683 4.340 0.000 0.000 0.215 143 L C 0.828 177.705 176.870 0.012 0.000 1.065 143 L CA 0.513 55.333 54.840 -0.033 0.000 0.842 143 L CB -0.199 41.804 42.059 -0.093 0.000 1.033 143 L HN 0.266 nan 8.230 nan 0.000 0.474 144 A N 0.446 123.276 122.820 0.017 0.000 3.370 144 A HA 0.508 4.828 4.320 0.000 0.000 0.295 144 A C -2.667 174.956 177.584 0.065 0.000 1.030 144 A CA -0.882 51.186 52.037 0.051 0.000 0.883 144 A CB -0.173 18.868 19.000 0.068 0.000 1.191 144 A HN -0.127 nan 8.150 nan 0.000 0.507 145 P HA 0.231 nan 4.420 nan 0.000 0.271 145 P C -0.679 176.716 177.300 0.158 0.000 1.216 145 P CA 0.202 63.316 63.100 0.024 0.000 0.771 145 P CB 0.228 31.935 31.700 0.011 0.000 0.864 146 Y N 1.295 121.603 120.300 0.013 0.000 2.425 146 Y HA 0.364 4.914 4.550 0.000 0.000 0.331 146 Y C 1.166 177.051 175.900 -0.024 0.000 1.157 146 Y CA -1.274 56.822 58.100 -0.007 0.000 1.372 146 Y CB -0.306 38.146 38.460 -0.012 0.000 1.253 146 Y HN 0.356 nan 8.280 nan 0.000 0.536 147 A N 4.360 127.251 122.820 0.118 0.000 2.301 147 A HA 0.377 4.697 4.320 0.000 0.000 0.312 147 A C 0.035 177.619 177.584 0.001 0.000 1.182 147 A CA -1.046 51.012 52.037 0.036 0.000 0.826 147 A CB 0.293 19.298 19.000 0.008 0.000 1.134 147 A HN 0.740 nan 8.150 nan 0.000 0.501 148 K N 1.045 121.434 120.400 -0.019 0.000 2.466 148 K HA 0.225 4.545 4.320 0.000 0.000 0.278 148 K C 1.165 177.735 176.600 -0.050 0.000 1.048 148 K CA 1.389 57.649 56.287 -0.045 0.000 1.088 148 K CB 0.075 32.539 32.500 -0.060 0.000 0.884 148 K HN 1.494 nan 8.250 nan 0.000 0.478 149 G N 2.269 111.032 108.800 -0.062 0.000 2.143 149 G HA2 -0.244 3.716 3.960 0.000 0.000 0.248 149 G HA3 -0.244 3.716 3.960 0.000 0.000 0.248 149 G C 0.384 175.245 174.900 -0.066 0.000 0.991 149 G CA 0.005 45.066 45.100 -0.065 0.000 0.689 149 G HN 0.847 nan 8.290 nan 0.000 0.522 150 G N -0.925 107.832 108.800 -0.073 0.000 2.488 150 G HA2 0.666 4.626 3.960 0.000 0.000 0.318 150 G HA3 0.666 4.626 3.960 0.000 0.000 0.318 150 G C -0.428 174.400 174.900 -0.120 0.000 1.188 150 G CA -0.719 44.338 45.100 -0.073 0.000 0.944 150 G HN 0.281 nan 8.290 nan 0.000 0.495 151 K N -0.550 119.785 120.400 -0.108 0.000 2.159 151 K HA 0.611 4.931 4.320 0.000 0.000 0.266 151 K C -0.820 175.674 176.600 -0.176 0.000 0.975 151 K CA -0.365 55.832 56.287 -0.151 0.000 0.865 151 K CB 1.852 34.292 32.500 -0.099 0.000 1.087 151 K HN 0.217 nan 8.250 nan 0.000 0.446 152 I N 1.304 121.716 120.570 -0.264 0.000 2.436 152 I HA 0.351 4.521 4.170 0.000 0.000 0.289 152 I C 0.442 176.457 176.117 -0.171 0.000 1.010 152 I CA -0.446 60.700 61.300 -0.257 0.000 1.098 152 I CB 2.070 39.734 38.000 -0.560 0.000 1.266 152 I HN 0.616 nan 8.210 nan 0.000 0.434 153 G N 5.784 114.556 108.800 -0.046 0.000 2.370 153 G HA2 0.512 4.472 3.960 0.000 0.000 0.272 153 G HA3 0.512 4.472 3.960 0.000 0.000 0.272 153 G C -1.111 173.861 174.900 0.120 0.000 1.208 153 G CA -0.229 44.848 45.100 -0.037 0.000 0.856 153 G HN 0.474 nan 8.290 nan 0.000 0.500 154 L N 3.108 124.243 121.223 -0.146 0.000 2.342 154 L HA 0.710 5.050 4.340 0.000 0.000 0.276 154 L C -1.350 175.475 176.870 -0.076 0.000 0.997 154 L CA -1.009 53.863 54.840 0.053 0.000 0.838 154 L CB 0.640 42.722 42.059 0.039 0.000 1.224 154 L HN 0.350 nan 8.230 nan 0.000 0.416 155 F N 2.783 122.758 119.950 0.041 0.000 2.509 155 F HA 0.897 5.424 4.527 0.000 0.000 0.334 155 F C 1.056 176.886 175.800 0.051 0.000 1.060 155 F CA -0.456 57.566 58.000 0.038 0.000 0.997 155 F CB 1.433 40.454 39.000 0.035 0.000 1.271 155 F HN 0.717 nan 8.300 nan 0.000 0.488 156 G N 0.171 109.108 108.800 0.227 0.000 2.879 156 G HA2 0.275 4.235 3.960 0.000 0.000 0.686 156 G HA3 0.275 4.235 3.960 0.000 0.000 0.686 156 G C 0.137 175.102 174.900 0.108 0.000 1.115 156 G CA -0.603 44.585 45.100 0.146 0.000 0.770 156 G HN 1.141 nan 8.290 nan 0.000 0.601 157 G N 1.010 109.866 108.800 0.093 0.000 3.056 157 G HA2 0.759 4.719 3.960 0.000 0.000 0.175 157 G HA3 0.759 4.719 3.960 0.000 0.000 0.175 157 G C 0.993 175.935 174.900 0.071 0.000 1.894 157 G CA 1.034 46.183 45.100 0.082 0.000 0.910 157 G HN 2.200 nan 8.290 nan 0.000 0.462 158 A N -1.517 121.340 122.820 0.061 0.000 2.293 158 A HA 0.597 4.917 4.320 0.000 0.000 0.302 158 A C 1.013 178.628 177.584 0.052 0.000 1.119 158 A CA 0.549 52.615 52.037 0.049 0.000 0.823 158 A CB 0.064 19.086 19.000 0.037 0.000 1.097 158 A HN 2.316 nan 8.150 nan 0.000 0.491 159 G N -0.204 108.623 108.800 0.044 0.000 2.374 159 G HA2 0.100 4.060 3.960 0.000 0.000 0.289 159 G HA3 0.100 4.060 3.960 0.000 0.000 0.289 159 G C 0.235 175.179 174.900 0.073 0.000 1.004 159 G CA 0.837 45.965 45.100 0.047 0.000 1.292 159 G HN 2.136 nan 8.290 nan 0.000 0.502 160 V N -2.786 117.181 119.914 0.088 0.000 3.523 160 V HA 0.654 4.774 4.120 0.000 0.000 0.273 160 V C 1.656 177.836 176.094 0.144 0.000 1.675 160 V CA 0.980 63.351 62.300 0.119 0.000 1.079 160 V CB 0.009 31.897 31.823 0.109 0.000 0.901 160 V HN 2.321 nan 8.190 nan 0.000 0.406 161 G N 0.994 109.863 108.800 0.115 0.000 2.205 161 G HA2 -0.233 3.727 3.960 0.000 0.000 0.180 161 G HA3 -0.233 3.727 3.960 0.000 0.000 0.180 161 G C 0.908 175.872 174.900 0.108 0.000 1.004 161 G CA 0.457 45.634 45.100 0.127 0.000 0.670 161 G HN 0.357 nan 8.290 nan 0.000 0.496 162 K N 0.340 120.798 120.400 0.096 0.000 2.052 162 K HA -0.212 4.108 4.320 0.000 0.000 0.215 162 K C 2.440 179.072 176.600 0.055 0.000 1.053 162 K CA 2.502 58.843 56.287 0.091 0.000 0.934 162 K CB -0.436 32.116 32.500 0.086 0.000 0.717 162 K HN 0.426 nan 8.250 nan 0.000 0.450 163 T N 0.636 115.202 114.554 0.020 0.000 2.746 163 T HA -0.101 4.249 4.350 0.000 0.000 0.267 163 T C 1.968 176.635 174.700 -0.055 0.000 1.039 163 T CA 1.509 63.590 62.100 -0.031 0.000 1.142 163 T CB -0.196 68.641 68.868 -0.052 0.000 0.866 163 T HN 0.031 nan 8.240 nan 0.000 0.444 164 V N 1.555 121.456 119.914 -0.021 0.000 2.358 164 V HA -0.053 4.067 4.120 0.000 0.000 0.246 164 V C 2.392 178.443 176.094 -0.072 0.000 1.047 164 V CA 0.988 63.276 62.300 -0.021 0.000 1.035 164 V CB -0.816 31.043 31.823 0.060 0.000 0.658 164 V HN 0.294 nan 8.190 nan 0.000 0.452 165 L N -0.103 121.114 121.223 -0.009 0.000 2.127 165 L HA -0.149 4.191 4.340 0.000 0.000 0.211 165 L C 2.128 178.964 176.870 -0.057 0.000 1.089 165 L CA 1.816 56.622 54.840 -0.057 0.000 0.757 165 L CB -0.458 41.662 42.059 0.102 0.000 0.899 165 L HN 0.203 nan 8.230 nan 0.000 0.434 166 I N -1.377 119.174 120.570 -0.031 0.000 2.110 166 I HA -0.339 3.831 4.170 0.000 0.000 0.236 166 I C 2.491 178.496 176.117 -0.187 0.000 1.068 166 I CA 1.768 62.999 61.300 -0.116 0.000 1.333 166 I CB -0.324 37.484 38.000 -0.320 0.000 1.054 166 I HN 0.268 nan 8.210 nan 0.000 0.402 167 M N 0.224 119.707 119.600 -0.195 0.000 2.089 167 M HA -0.293 4.187 4.480 0.000 0.000 0.257 167 M C 2.221 178.444 176.300 -0.128 0.000 1.071 167 M CA 2.092 57.299 55.300 -0.156 0.000 1.096 167 M CB -0.449 32.076 32.600 -0.125 0.000 1.330 167 M HN 0.163 nan 8.290 nan 0.000 0.403 168 E N 0.571 120.644 120.200 -0.213 0.000 2.150 168 E HA -0.110 4.240 4.350 0.000 0.000 0.193 168 E C 1.725 178.222 176.600 -0.172 0.000 0.985 168 E CA 1.089 57.317 56.400 -0.287 0.000 0.814 168 E CB -0.236 28.983 29.700 -0.801 0.000 0.752 168 E HN 0.498 nan 8.360 nan 0.000 0.466 169 L N -0.013 121.159 121.223 -0.086 0.000 2.027 169 L HA -0.111 4.229 4.340 0.000 0.000 0.206 169 L C 2.448 179.408 176.870 0.150 0.000 1.074 169 L CA 1.089 55.984 54.840 0.090 0.000 0.745 169 L CB -0.371 41.857 42.059 0.282 0.000 0.898 169 L HN 0.225 nan 8.230 nan 0.000 0.433 170 I N 0.163 120.823 120.570 0.150 0.000 2.194 170 I HA -0.369 3.801 4.170 0.000 0.000 0.246 170 I C 2.265 178.431 176.117 0.082 0.000 1.093 170 I CA 1.844 63.232 61.300 0.147 0.000 1.355 170 I CB -0.372 37.656 38.000 0.048 0.000 1.046 170 I HN 0.390 nan 8.210 nan 0.000 0.413 171 N N 0.789 119.507 118.700 0.029 0.000 2.106 171 N HA -0.175 4.565 4.740 0.000 0.000 0.188 171 N C 1.636 177.155 175.510 0.015 0.000 1.029 171 N CA 1.603 54.662 53.050 0.016 0.000 0.848 171 N CB 0.040 38.523 38.487 -0.006 0.000 1.007 171 N HN 0.196 nan 8.380 nan 0.000 0.423 172 N N -0.075 118.631 118.700 0.010 0.000 2.135 172 N HA -0.070 4.670 4.740 0.000 0.000 0.186 172 N C 1.684 177.191 175.510 -0.005 0.000 1.027 172 N CA 0.749 53.795 53.050 -0.006 0.000 0.849 172 N CB -0.688 37.796 38.487 -0.005 0.000 1.002 172 N HN 0.065 nan 8.380 nan 0.000 0.425 173 V N 1.618 121.577 119.914 0.076 0.000 2.568 173 V HA -0.198 3.922 4.120 0.000 0.000 0.253 173 V C 2.233 178.380 176.094 0.088 0.000 1.072 173 V CA 1.684 64.085 62.300 0.169 0.000 1.084 173 V CB -0.886 31.043 31.823 0.176 0.000 0.676 173 V HN 0.306 nan 8.190 nan 0.000 0.469 174 A N 0.004 122.847 122.820 0.038 0.000 1.825 174 A HA -0.222 4.099 4.320 0.000 0.000 0.214 174 A C 2.274 179.836 177.584 -0.036 0.000 1.206 174 A CA 2.016 54.049 52.037 -0.007 0.000 0.609 174 A CB -0.622 18.397 19.000 0.032 0.000 0.851 174 A HN 0.480 nan 8.150 nan 0.000 0.445 175 K N -0.257 120.124 120.400 -0.032 0.000 2.001 175 K HA -0.208 4.112 4.320 0.000 0.000 0.223 175 K C 1.686 178.221 176.600 -0.108 0.000 1.055 175 K CA 2.000 58.256 56.287 -0.051 0.000 0.965 175 K CB -0.433 32.044 32.500 -0.039 0.000 0.730 175 K HN 0.369 nan 8.250 nan 0.000 0.449 176 A N -0.136 122.556 122.820 -0.215 0.000 2.302 176 A HA 0.019 4.339 4.320 0.000 0.000 0.219 176 A C 0.574 177.809 177.584 -0.582 0.000 1.243 176 A CA 0.297 52.105 52.037 -0.381 0.000 0.856 176 A CB -0.179 18.544 19.000 -0.461 0.000 0.893 176 A HN 0.538 nan 8.150 nan 0.000 0.491 177 H N -2.172 116.883 119.070 -0.026 0.000 3.710 177 H HA 0.193 4.749 4.556 0.000 0.000 0.245 177 H C 1.142 176.427 175.328 -0.072 0.000 1.011 177 H CA 0.303 56.328 56.048 -0.037 0.000 1.098 177 H CB 0.068 29.812 29.762 -0.031 0.000 1.406 177 H HN 0.689 nan 8.280 nan 0.000 0.657 178 G N 1.320 110.115 108.800 -0.007 0.000 2.401 178 G HA2 -0.071 3.889 3.960 0.000 0.000 0.283 178 G HA3 -0.071 3.889 3.960 0.000 0.000 0.283 178 G C 0.310 175.081 174.900 -0.216 0.000 1.117 178 G CA 0.257 45.277 45.100 -0.133 0.000 1.051 178 G HN 0.691 nan 8.290 nan 0.000 0.510 179 G N -0.263 108.426 108.800 -0.184 0.000 2.675 179 G HA2 0.628 4.588 3.960 0.000 0.000 0.297 179 G HA3 0.628 4.588 3.960 0.000 0.000 0.297 179 G C -0.030 174.755 174.900 -0.193 0.000 1.399 179 G CA -0.821 44.170 45.100 -0.182 0.000 0.981 179 G HN 0.382 nan 8.290 nan 0.000 0.519 180 Y N 1.141 121.347 120.300 -0.157 0.000 2.279 180 Y HA 0.419 4.969 4.550 0.000 0.000 0.350 180 Y C 1.182 176.966 175.900 -0.192 0.000 1.288 180 Y CA 0.087 58.028 58.100 -0.265 0.000 1.547 180 Y CB 1.065 39.142 38.460 -0.639 0.000 1.381 180 Y HN 0.397 nan 8.280 nan 0.000 0.630 181 S N 0.118 115.854 115.700 0.060 0.000 2.549 181 S HA 0.556 5.026 4.470 0.000 0.000 0.280 181 S C -1.316 173.357 174.600 0.121 0.000 1.109 181 S CA -0.862 57.412 58.200 0.123 0.000 0.905 181 S CB 1.916 65.287 63.200 0.284 0.000 1.081 181 S HN 0.296 nan 8.310 nan 0.000 0.477 182 V N 2.806 122.822 119.914 0.171 0.000 2.513 182 V HA 0.524 4.644 4.120 0.000 0.000 0.299 182 V C -1.007 175.280 176.094 0.321 0.000 1.035 182 V CA -0.657 61.759 62.300 0.195 0.000 0.889 182 V CB 1.305 33.213 31.823 0.141 0.000 0.988 182 V HN 0.850 nan 8.190 nan 0.000 0.440 183 F N 4.221 124.262 119.950 0.151 0.000 2.411 183 F HA 0.749 5.276 4.527 0.000 0.000 0.352 183 F C 0.297 176.173 175.800 0.127 0.000 1.123 183 F CA -0.528 57.571 58.000 0.164 0.000 1.044 183 F CB 1.041 40.083 39.000 0.070 0.000 1.135 183 F HN 0.536 nan 8.300 nan 0.000 0.461 184 A N 4.676 127.358 122.820 -0.230 0.000 2.256 184 A HA 0.593 4.913 4.320 0.000 0.000 0.317 184 A C 0.112 177.517 177.584 -0.298 0.000 1.318 184 A CA -0.351 51.608 52.037 -0.129 0.000 0.894 184 A CB 0.179 19.088 19.000 -0.150 0.000 1.165 184 A HN 1.023 nan 8.150 nan 0.000 0.525 185 G N 1.930 110.755 108.800 0.041 0.000 2.663 185 G HA2 0.459 4.419 3.960 0.000 0.000 0.320 185 G HA3 0.459 4.419 3.960 0.000 0.000 0.320 185 G C -0.329 174.552 174.900 -0.031 0.000 0.937 185 G CA -0.153 44.956 45.100 0.016 0.000 1.332 185 G HN 0.618 nan 8.290 nan 0.000 0.461 186 V N 2.701 122.574 119.914 -0.068 0.000 2.370 186 V HA 0.482 4.602 4.120 0.000 0.000 0.257 186 V C 1.308 177.390 176.094 -0.019 0.000 1.064 186 V CA 0.844 63.130 62.300 -0.024 0.000 0.975 186 V CB 0.323 32.143 31.823 -0.005 0.000 1.067 186 V HN 1.231 nan 8.190 nan 0.000 0.485 187 G N 3.923 112.711 108.800 -0.019 0.000 2.248 187 G HA2 -0.220 3.740 3.960 0.000 0.000 0.263 187 G HA3 -0.220 3.740 3.960 0.000 0.000 0.263 187 G C -0.057 174.811 174.900 -0.053 0.000 1.082 187 G CA 0.162 45.244 45.100 -0.030 0.000 0.863 187 G HN 0.788 nan 8.290 nan 0.000 0.495 188 E N 0.102 120.246 120.200 -0.094 0.000 2.413 188 E HA 0.398 4.748 4.350 0.000 0.000 0.263 188 E C 1.123 177.650 176.600 -0.121 0.000 1.015 188 E CA -0.096 56.204 56.400 -0.167 0.000 0.916 188 E CB 0.326 29.774 29.700 -0.421 0.000 0.947 188 E HN 0.517 nan 8.360 nan 0.000 0.440 189 R N 2.951 123.390 120.500 -0.103 0.000 2.340 189 R HA 0.129 4.469 4.340 0.000 0.000 0.300 189 R C 1.101 177.360 176.300 -0.069 0.000 1.069 189 R CA 0.051 56.112 56.100 -0.065 0.000 0.984 189 R CB 0.606 30.879 30.300 -0.045 0.000 1.003 189 R HN 0.630 nan 8.270 nan 0.000 0.459 190 T N 2.062 116.596 114.554 -0.033 0.000 2.699 190 T HA -0.234 4.116 4.350 0.000 0.000 0.268 190 T C 1.762 176.461 174.700 -0.001 0.000 1.036 190 T CA 1.521 63.617 62.100 -0.007 0.000 1.147 190 T CB -0.152 68.723 68.868 0.012 0.000 0.862 190 T HN 0.552 nan 8.240 nan 0.000 0.446 191 R N 1.135 121.632 120.500 -0.005 0.000 2.088 191 R HA -0.148 4.192 4.340 0.000 0.000 0.232 191 R C 2.321 178.617 176.300 -0.007 0.000 1.136 191 R CA 2.006 58.108 56.100 0.004 0.000 0.926 191 R CB -0.218 30.084 30.300 0.003 0.000 0.837 191 R HN 0.459 nan 8.270 nan 0.000 0.429 192 E N -0.955 119.226 120.200 -0.032 0.000 2.204 192 E HA -0.126 4.224 4.350 0.000 0.000 0.195 192 E C 1.815 178.371 176.600 -0.074 0.000 0.990 192 E CA 0.973 57.345 56.400 -0.048 0.000 0.821 192 E CB -0.143 29.524 29.700 -0.056 0.000 0.750 192 E HN 0.644 nan 8.360 nan 0.000 0.477 193 G N 1.262 110.002 108.800 -0.099 0.000 2.402 193 G HA2 -0.327 3.633 3.960 0.000 0.000 0.216 193 G HA3 -0.327 3.633 3.960 0.000 0.000 0.216 193 G C 1.461 176.432 174.900 0.119 0.000 1.162 193 G CA 0.912 45.952 45.100 -0.100 0.000 0.777 193 G HN 0.185 nan 8.290 nan 0.000 0.539 194 N N 1.248 119.985 118.700 0.061 0.000 2.043 194 N HA -0.110 4.630 4.740 0.000 0.000 0.193 194 N C 1.688 177.157 175.510 -0.069 0.000 1.037 194 N CA 1.936 54.988 53.050 0.005 0.000 0.851 194 N CB -0.305 38.203 38.487 0.034 0.000 1.027 194 N HN 0.195 nan 8.380 nan 0.000 0.422 195 D N -0.191 120.211 120.400 0.003 0.000 2.117 195 D HA -0.131 4.509 4.640 0.000 0.000 0.197 195 D C 1.875 178.168 176.300 -0.012 0.000 0.987 195 D CA 0.624 54.640 54.000 0.027 0.000 0.829 195 D CB -0.507 40.304 40.800 0.019 0.000 0.961 195 D HN 0.290 nan 8.370 nan 0.000 0.460 196 L N -0.118 121.082 121.223 -0.039 0.000 2.083 196 L HA -0.158 4.182 4.340 0.000 0.000 0.209 196 L C 2.051 178.903 176.870 -0.030 0.000 1.083 196 L CA 1.416 56.204 54.840 -0.088 0.000 0.752 196 L CB -0.689 41.256 42.059 -0.191 0.000 0.899 196 L HN -0.001 nan 8.230 nan 0.000 0.433 197 Y N 0.672 120.872 120.300 -0.166 0.000 2.030 197 Y HA -0.331 4.220 4.550 0.000 0.000 0.274 197 Y C 2.695 178.495 175.900 -0.166 0.000 1.153 197 Y CA 2.317 60.287 58.100 -0.217 0.000 1.115 197 Y CB -1.143 37.113 38.460 -0.340 0.000 0.969 197 Y HN 0.472 nan 8.280 nan 0.000 0.488 198 H N -0.440 118.582 119.070 -0.080 0.000 2.352 198 H HA -0.150 4.406 4.556 0.000 0.000 0.299 198 H C 2.142 177.387 175.328 -0.139 0.000 1.097 198 H CA 1.455 57.386 56.048 -0.196 0.000 1.311 198 H CB -0.046 29.638 29.762 -0.130 0.000 1.377 198 H HN 0.479 nan 8.280 nan 0.000 0.504 199 E N 0.413 120.619 120.200 0.011 0.000 2.118 199 E HA -0.189 4.161 4.350 0.000 0.000 0.195 199 E C 2.071 178.636 176.600 -0.059 0.000 0.992 199 E CA 1.092 57.469 56.400 -0.039 0.000 0.804 199 E CB -0.044 29.618 29.700 -0.064 0.000 0.741 199 E HN 0.558 nan 8.360 nan 0.000 0.458 200 M N 0.301 119.861 119.600 -0.066 0.000 2.200 200 M HA -0.091 4.389 4.480 0.000 0.000 0.265 200 M C 2.352 178.617 176.300 -0.058 0.000 1.066 200 M CA 1.119 56.379 55.300 -0.067 0.000 1.127 200 M CB -0.323 32.240 32.600 -0.062 0.000 1.379 200 M HN 0.128 nan 8.290 nan 0.000 0.420 201 I N -0.067 120.453 120.570 -0.084 0.000 2.090 201 I HA -0.248 3.922 4.170 0.000 0.000 0.236 201 I C 2.280 178.361 176.117 -0.060 0.000 1.064 201 I CA 1.207 62.451 61.300 -0.093 0.000 1.324 201 I CB -1.004 36.897 38.000 -0.165 0.000 1.044 201 I HN 0.256 nan 8.210 nan 0.000 0.399 202 E N 1.081 121.248 120.200 -0.054 0.000 2.208 202 E HA -0.264 4.086 4.350 0.000 0.000 0.202 202 E C 2.305 178.892 176.600 -0.022 0.000 1.014 202 E CA 2.086 58.464 56.400 -0.037 0.000 0.819 202 E CB -0.266 29.412 29.700 -0.036 0.000 0.735 202 E HN 0.635 nan 8.360 nan 0.000 0.469 203 S N -1.898 113.785 115.700 -0.028 0.000 2.456 203 S HA 0.170 4.640 4.470 0.000 0.000 0.224 203 S C 1.549 176.145 174.600 -0.007 0.000 1.035 203 S CA 1.248 59.438 58.200 -0.016 0.000 0.940 203 S CB 0.996 64.178 63.200 -0.031 0.000 0.799 203 S HN 0.307 nan 8.310 nan 0.000 0.508 204 G N 0.677 109.468 108.800 -0.015 0.000 3.709 204 G HA2 -0.218 3.742 3.960 0.000 0.000 0.196 204 G HA3 -0.218 3.742 3.960 0.000 0.000 0.196 204 G C 1.050 175.945 174.900 -0.007 0.000 1.177 204 G CA 0.368 45.464 45.100 -0.006 0.000 0.906 204 G HN 1.201 nan 8.290 nan 0.000 0.416 205 V N 0.072 119.978 119.914 -0.013 0.000 2.828 205 V HA 0.329 4.449 4.120 0.000 0.000 0.260 205 V C 1.256 177.346 176.094 -0.006 0.000 1.101 205 V CA 1.234 63.530 62.300 -0.007 0.000 1.123 205 V CB -0.434 31.378 31.823 -0.020 0.000 0.704 205 V HN 0.434 nan 8.190 nan 0.000 0.493 206 I N 1.174 121.736 120.570 -0.013 0.000 2.493 206 I HA 0.513 4.683 4.170 0.000 0.000 0.298 206 I C -0.519 175.590 176.117 -0.014 0.000 0.998 206 I CA -0.415 60.883 61.300 -0.003 0.000 1.137 206 I CB 1.801 39.813 38.000 0.021 0.000 1.310 206 I HN 0.131 nan 8.210 nan 0.000 0.445 207 N N 6.073 124.768 118.700 -0.007 0.000 2.519 207 N HA 0.325 5.066 4.740 0.000 0.000 0.286 207 N C -0.028 175.476 175.510 -0.009 0.000 1.079 207 N CA -0.378 52.665 53.050 -0.012 0.000 0.878 207 N CB 1.782 40.267 38.487 -0.004 0.000 1.375 207 N HN 0.533 nan 8.380 nan 0.000 0.514 208 L N 1.663 122.875 121.223 -0.017 0.000 2.599 208 L HA 0.056 4.396 4.340 0.000 0.000 0.230 208 L C 1.552 178.418 176.870 -0.006 0.000 1.141 208 L CA 0.512 55.347 54.840 -0.008 0.000 0.877 208 L CB -0.036 42.011 42.059 -0.020 0.000 1.009 208 L HN 0.288 nan 8.230 nan 0.000 0.447 209 K N 0.547 120.943 120.400 -0.007 0.000 2.530 209 K HA 0.103 4.423 4.320 0.000 0.000 0.218 209 K C 0.526 177.126 176.600 -0.000 0.000 1.064 209 K CA 0.234 56.519 56.287 -0.004 0.000 1.084 209 K CB -0.639 31.858 32.500 -0.005 0.000 1.392 209 K HN 0.146 nan 8.250 nan 0.000 0.465 210 D N 0.024 120.425 120.400 0.002 0.000 2.314 210 D HA 0.140 4.780 4.640 0.000 0.000 0.252 210 D C 0.371 176.673 176.300 0.004 0.000 1.295 210 D CA 0.028 54.032 54.000 0.006 0.000 0.995 210 D CB 0.138 40.944 40.800 0.011 0.000 1.125 210 D HN 0.238 nan 8.370 nan 0.000 0.537 211 A N -1.291 121.534 122.820 0.009 0.000 2.465 211 A HA 0.181 4.501 4.320 0.000 0.000 0.255 211 A C 1.422 179.009 177.584 0.006 0.000 1.274 211 A CA 0.281 52.319 52.037 0.001 0.000 0.920 211 A CB -0.872 18.130 19.000 0.003 0.000 1.033 211 A HN 0.613 nan 8.150 nan 0.000 0.516 212 T N -1.624 112.942 114.554 0.020 0.000 3.400 212 T HA 0.081 4.431 4.350 0.000 0.000 0.254 212 T C 0.685 175.405 174.700 0.034 0.000 1.153 212 T CA 0.611 62.736 62.100 0.041 0.000 1.012 212 T CB -0.808 68.084 68.868 0.041 0.000 0.994 212 T HN 0.145 nan 8.240 nan 0.000 0.555 213 S N 1.214 116.914 115.700 -0.001 0.000 2.560 213 S HA 0.205 4.675 4.470 0.000 0.000 0.284 213 S C 0.965 175.543 174.600 -0.037 0.000 1.327 213 S CA -0.285 57.904 58.200 -0.019 0.000 1.055 213 S CB 0.615 63.791 63.200 -0.039 0.000 0.868 213 S HN 0.564 nan 8.310 nan 0.000 0.506 214 K N 1.197 121.596 120.400 -0.001 0.000 2.447 214 K HA 0.269 4.589 4.320 0.000 0.000 0.205 214 K C -1.173 175.448 176.600 0.035 0.000 1.059 214 K CA 0.078 56.409 56.287 0.073 0.000 1.065 214 K CB 0.964 33.542 32.500 0.131 0.000 0.885 214 K HN 0.354 nan 8.250 nan 0.000 0.545 215 V N 1.054 120.951 119.914 -0.028 0.000 2.624 215 V HA 0.368 4.488 4.120 0.000 0.000 0.294 215 V C -0.661 175.425 176.094 -0.014 0.000 1.077 215 V CA -1.338 60.964 62.300 0.003 0.000 0.905 215 V CB 1.382 33.218 31.823 0.021 0.000 1.025 215 V HN 0.147 nan 8.190 nan 0.000 0.440 216 A N 5.897 128.715 122.820 -0.004 0.000 2.388 216 A HA 0.812 5.132 4.320 0.000 0.000 0.257 216 A C -0.377 177.230 177.584 0.038 0.000 1.095 216 A CA -0.242 51.799 52.037 0.006 0.000 0.791 216 A CB 0.421 19.451 19.000 0.049 0.000 1.029 216 A HN 0.823 nan 8.150 nan 0.000 0.489 217 L N 3.087 124.289 121.223 -0.035 0.000 2.313 217 L HA 0.468 4.808 4.340 0.000 0.000 0.283 217 L C -0.868 175.964 176.870 -0.063 0.000 1.013 217 L CA -0.732 54.090 54.840 -0.030 0.000 0.816 217 L CB 1.519 43.430 42.059 -0.247 0.000 1.236 217 L HN 0.398 nan 8.230 nan 0.000 0.419 218 V N 4.046 124.020 119.914 0.101 0.000 2.409 218 V HA 0.419 4.539 4.120 0.000 0.000 0.291 218 V C -0.665 175.610 176.094 0.301 0.000 1.020 218 V CA -0.421 61.931 62.300 0.087 0.000 0.848 218 V CB 1.600 33.462 31.823 0.065 0.000 0.990 218 V HN 0.493 nan 8.190 nan 0.000 0.430 219 Y N 2.116 122.420 120.300 0.006 0.000 2.364 219 Y HA 0.654 5.204 4.550 0.000 0.000 0.340 219 Y C 0.724 176.623 175.900 -0.001 0.000 0.975 219 Y CA -1.098 57.012 58.100 0.017 0.000 1.089 219 Y CB 2.594 41.048 38.460 -0.010 0.000 1.192 219 Y HN 0.677 nan 8.280 nan 0.000 0.454 220 G N 4.179 113.062 108.800 0.137 0.000 3.114 220 G HA2 0.324 4.284 3.960 0.000 0.000 0.320 220 G HA3 0.324 4.284 3.960 0.000 0.000 0.320 220 G C -0.948 173.972 174.900 0.033 0.000 1.453 220 G CA -0.523 44.618 45.100 0.069 0.000 1.084 220 G HN 0.583 nan 8.290 nan 0.000 0.516 221 Q N 1.672 121.492 119.800 0.035 0.000 2.396 221 Q HA 0.262 4.602 4.340 0.000 0.000 0.221 221 Q C 1.293 177.288 176.000 -0.007 0.000 1.025 221 Q CA -0.678 55.125 55.803 0.001 0.000 0.946 221 Q CB 1.323 30.070 28.738 0.015 0.000 1.224 221 Q HN 0.409 nan 8.270 nan 0.000 0.539 222 M N 1.079 120.667 119.600 -0.020 0.000 2.446 222 M HA -0.145 4.335 4.480 0.000 0.000 0.263 222 M C 1.143 177.434 176.300 -0.015 0.000 1.066 222 M CA 1.519 56.806 55.300 -0.021 0.000 1.087 222 M CB -0.635 31.950 32.600 -0.026 0.000 1.406 222 M HN 0.709 nan 8.290 nan 0.000 0.459 223 N N -0.508 118.188 118.700 -0.007 0.000 2.236 223 N HA 0.072 4.812 4.740 0.000 0.000 0.196 223 N C -0.137 175.373 175.510 -0.001 0.000 1.114 223 N CA -0.296 52.751 53.050 -0.005 0.000 0.859 223 N CB 0.294 38.779 38.487 -0.002 0.000 0.982 223 N HN 0.270 nan 8.380 nan 0.000 0.493 224 E N 1.486 121.687 120.200 0.002 0.000 2.409 224 E HA 0.154 4.504 4.350 0.000 0.000 0.257 224 E C -2.217 174.382 176.600 -0.001 0.000 1.150 224 E CA -1.659 54.744 56.400 0.005 0.000 0.942 224 E CB 0.253 29.960 29.700 0.012 0.000 0.979 224 E HN 0.205 nan 8.360 nan 0.000 0.447 225 P HA 0.099 nan 4.420 nan 0.000 0.276 225 P C -2.212 175.082 177.300 -0.009 0.000 1.261 225 P CA -1.356 61.741 63.100 -0.005 0.000 0.800 225 P CB -0.132 31.568 31.700 -0.000 0.000 1.066 226 P HA -0.225 nan 4.420 nan 0.000 0.216 226 P C 1.638 178.929 177.300 -0.015 0.000 1.157 226 P CA 2.401 65.485 63.100 -0.027 0.000 0.880 226 P CB -0.633 31.047 31.700 -0.033 0.000 0.791 227 G N -0.206 108.592 108.800 -0.003 0.000 2.513 227 G HA2 -0.327 3.633 3.960 0.000 0.000 0.219 227 G HA3 -0.327 3.633 3.960 0.000 0.000 0.219 227 G C 1.640 176.552 174.900 0.020 0.000 1.160 227 G CA 1.292 46.399 45.100 0.012 0.000 0.767 227 G HN 0.387 nan 8.290 nan 0.000 0.571 228 A N 0.412 123.242 122.820 0.016 0.000 1.872 228 A HA 0.124 4.444 4.320 0.000 0.000 0.214 228 A C 2.446 180.044 177.584 0.024 0.000 1.187 228 A CA 1.591 53.641 52.037 0.021 0.000 0.614 228 A CB -0.349 18.662 19.000 0.018 0.000 0.826 228 A HN 0.321 nan 8.150 nan 0.000 0.442 229 R N -0.302 120.208 120.500 0.016 0.000 2.081 229 R HA -0.075 4.265 4.340 0.000 0.000 0.235 229 R C 2.287 178.617 176.300 0.050 0.000 1.131 229 R CA 1.336 57.448 56.100 0.021 0.000 0.960 229 R CB -0.432 29.865 30.300 -0.004 0.000 0.856 229 R HN 0.497 nan 8.270 nan 0.000 0.436 230 A N 0.388 123.227 122.820 0.031 0.000 2.121 230 A HA -0.070 4.250 4.320 0.000 0.000 0.218 230 A C 1.632 179.296 177.584 0.133 0.000 1.154 230 A CA 1.039 53.105 52.037 0.048 0.000 0.679 230 A CB -0.013 18.973 19.000 -0.023 0.000 0.795 230 A HN 0.111 nan 8.150 nan 0.000 0.458 231 R N -1.415 119.133 120.500 0.079 0.000 2.404 231 R HA 0.138 4.478 4.340 0.000 0.000 0.237 231 R C 1.627 177.929 176.300 0.003 0.000 0.907 231 R CA 0.722 56.846 56.100 0.040 0.000 1.063 231 R CB -0.430 29.874 30.300 0.006 0.000 1.134 231 R HN 0.373 nan 8.270 nan 0.000 0.529 232 V N 1.363 121.292 119.914 0.025 0.000 2.515 232 V HA -0.154 3.966 4.120 0.000 0.000 0.250 232 V C 2.161 178.233 176.094 -0.036 0.000 1.058 232 V CA 2.060 64.362 62.300 0.002 0.000 1.064 232 V CB -0.245 31.593 31.823 0.025 0.000 0.675 232 V HN 0.292 nan 8.190 nan 0.000 0.461 233 A N -0.155 122.626 122.820 -0.064 0.000 1.902 233 A HA -0.165 4.155 4.320 0.000 0.000 0.217 233 A C 2.104 179.586 177.584 -0.169 0.000 1.181 233 A CA 2.184 54.111 52.037 -0.183 0.000 0.623 233 A CB -0.609 18.141 19.000 -0.416 0.000 0.818 233 A HN 0.576 nan 8.150 nan 0.000 0.443 234 L N -0.646 120.494 121.223 -0.139 0.000 2.046 234 L HA -0.156 4.184 4.340 0.000 0.000 0.208 234 L C 2.794 179.597 176.870 -0.112 0.000 1.077 234 L CA 1.808 56.563 54.840 -0.142 0.000 0.747 234 L CB -0.902 41.048 42.059 -0.182 0.000 0.896 234 L HN 0.342 nan 8.230 nan 0.000 0.432 235 T N -0.357 114.142 114.554 -0.091 0.000 2.635 235 T HA -0.206 4.144 4.350 0.000 0.000 0.267 235 T C 1.902 176.578 174.700 -0.040 0.000 1.040 235 T CA 1.581 63.645 62.100 -0.060 0.000 1.156 235 T CB -0.897 67.946 68.868 -0.041 0.000 0.863 235 T HN 0.567 nan 8.240 nan 0.000 0.430 236 G N 1.622 110.399 108.800 -0.038 0.000 2.440 236 G HA2 -0.183 3.777 3.960 0.000 0.000 0.218 236 G HA3 -0.183 3.777 3.960 0.000 0.000 0.218 236 G C 1.494 176.386 174.900 -0.014 0.000 1.154 236 G CA 0.688 45.778 45.100 -0.016 0.000 0.767 236 G HN 0.325 nan 8.290 nan 0.000 0.552 237 L N 1.257 122.445 121.223 -0.058 0.000 1.971 237 L HA -0.106 4.234 4.340 0.000 0.000 0.215 237 L C 3.075 179.941 176.870 -0.006 0.000 1.072 237 L CA 2.588 57.397 54.840 -0.052 0.000 0.758 237 L CB -1.354 40.649 42.059 -0.093 0.000 0.889 237 L HN 0.256 nan 8.230 nan 0.000 0.433 238 T N -0.987 113.557 114.554 -0.016 0.000 2.665 238 T HA -0.206 4.144 4.350 0.000 0.000 0.268 238 T C 2.007 176.729 174.700 0.038 0.000 1.035 238 T CA 1.783 63.885 62.100 0.003 0.000 1.151 238 T CB -0.515 68.342 68.868 -0.019 0.000 0.862 238 T HN 0.221 nan 8.240 nan 0.000 0.438 239 V N 1.515 121.456 119.914 0.046 0.000 2.407 239 V HA -0.149 3.971 4.120 0.000 0.000 0.248 239 V C 2.816 179.070 176.094 0.267 0.000 1.055 239 V CA 1.620 63.979 62.300 0.098 0.000 1.049 239 V CB -1.143 30.750 31.823 0.117 0.000 0.662 239 V HN 0.554 nan 8.190 nan 0.000 0.455 240 A N -0.547 122.418 122.820 0.241 0.000 1.970 240 A HA -0.153 4.167 4.320 0.000 0.000 0.216 240 A C 2.167 179.918 177.584 0.278 0.000 1.170 240 A CA 1.362 53.595 52.037 0.326 0.000 0.645 240 A CB -0.348 18.742 19.000 0.151 0.000 0.816 240 A HN 0.580 nan 8.150 nan 0.000 0.447 241 E N -1.294 118.994 120.200 0.148 0.000 2.051 241 E HA -0.240 4.110 4.350 0.000 0.000 0.192 241 E C 1.771 178.414 176.600 0.072 0.000 0.991 241 E CA 1.532 57.984 56.400 0.086 0.000 0.799 241 E CB -0.388 29.339 29.700 0.045 0.000 0.748 241 E HN 0.766 nan 8.360 nan 0.000 0.449 242 Y N 0.455 120.709 120.300 -0.077 0.000 2.132 242 Y HA -0.332 4.218 4.550 0.000 0.000 0.280 242 Y C 1.755 177.535 175.900 -0.200 0.000 1.193 242 Y CA 1.889 59.867 58.100 -0.203 0.000 1.157 242 Y CB -0.376 37.847 38.460 -0.395 0.000 0.966 242 Y HN 0.004 nan 8.280 nan 0.000 0.511 243 F N -0.285 119.742 119.950 0.128 0.000 2.259 243 F HA -0.075 4.452 4.527 0.000 0.000 0.298 243 F C 2.744 178.515 175.800 -0.049 0.000 1.088 243 F CA 1.553 59.591 58.000 0.062 0.000 1.358 243 F CB -0.471 38.659 39.000 0.217 0.000 1.040 243 F HN -0.062 nan 8.300 nan 0.000 0.505 244 R N 0.657 121.233 120.500 0.127 0.000 2.055 244 R HA -0.126 4.214 4.340 0.000 0.000 0.228 244 R C 1.687 177.962 176.300 -0.042 0.000 1.143 244 R CA 2.020 58.143 56.100 0.038 0.000 0.945 244 R CB -0.343 29.974 30.300 0.029 0.000 0.841 244 R HN 0.101 nan 8.270 nan 0.000 0.429 245 D N 0.026 120.377 120.400 -0.081 0.000 2.149 245 D HA -0.103 4.537 4.640 0.000 0.000 0.201 245 D C 1.965 178.167 176.300 -0.163 0.000 0.972 245 D CA 0.988 54.928 54.000 -0.100 0.000 0.835 245 D CB 0.051 40.807 40.800 -0.072 0.000 0.966 245 D HN 0.285 nan 8.370 nan 0.000 0.476 246 Q N 0.085 119.692 119.800 -0.322 0.000 2.373 246 Q HA 0.100 4.441 4.340 0.000 0.000 0.210 246 Q C 0.942 176.752 176.000 -0.317 0.000 0.913 246 Q CA 0.518 56.094 55.803 -0.377 0.000 0.911 246 Q CB 0.527 28.869 28.738 -0.660 0.000 1.040 246 Q HN 0.439 nan 8.270 nan 0.000 0.521 247 E N -0.150 119.869 120.200 -0.302 0.000 2.603 247 E HA 0.215 4.565 4.350 0.000 0.000 0.211 247 E C 0.108 176.687 176.600 -0.034 0.000 0.995 247 E CA 0.005 56.334 56.400 -0.119 0.000 0.990 247 E CB 0.849 30.537 29.700 -0.021 0.000 1.036 247 E HN 0.351 nan 8.360 nan 0.000 0.475 248 G N 2.566 111.336 108.800 -0.051 0.000 2.341 248 G HA2 -0.346 3.614 3.960 0.000 0.000 0.292 248 G HA3 -0.346 3.614 3.960 0.000 0.000 0.292 248 G C 0.093 174.988 174.900 -0.010 0.000 1.021 248 G CA 0.767 45.850 45.100 -0.028 0.000 0.905 248 G HN 0.284 nan 8.290 nan 0.000 0.508 249 Q N -0.808 119.002 119.800 0.016 0.000 2.193 249 Q HA 0.432 4.772 4.340 0.000 0.000 0.246 249 Q C -0.806 175.190 176.000 -0.007 0.000 0.959 249 Q CA -0.794 55.015 55.803 0.010 0.000 0.904 249 Q CB 0.729 29.500 28.738 0.054 0.000 1.238 249 Q HN 0.211 nan 8.270 nan 0.000 0.469 250 D N 1.457 121.836 120.400 -0.035 0.000 2.467 250 D HA 0.251 4.891 4.640 0.000 0.000 0.220 250 D C -0.891 175.385 176.300 -0.039 0.000 1.103 250 D CA -0.065 53.904 54.000 -0.050 0.000 0.886 250 D CB 1.009 41.750 40.800 -0.099 0.000 1.025 250 D HN 0.116 nan 8.370 nan 0.000 0.514 251 V N 2.212 122.114 119.914 -0.020 0.000 2.997 251 V HA 0.435 4.555 4.120 0.000 0.000 0.311 251 V C 0.448 176.519 176.094 -0.038 0.000 1.066 251 V CA -0.846 61.449 62.300 -0.009 0.000 1.039 251 V CB 1.702 33.554 31.823 0.049 0.000 1.081 251 V HN 0.342 nan 8.190 nan 0.000 0.467 252 L N 3.074 124.277 121.223 -0.033 0.000 2.333 252 L HA 0.509 4.849 4.340 0.000 0.000 0.280 252 L C -1.134 175.658 176.870 -0.130 0.000 1.004 252 L CA -0.611 54.154 54.840 -0.125 0.000 0.820 252 L CB 1.729 43.739 42.059 -0.082 0.000 1.247 252 L HN 0.429 nan 8.230 nan 0.000 0.416 253 L N 4.208 125.275 121.223 -0.260 0.000 2.294 253 L HA 0.514 4.854 4.340 0.000 0.000 0.283 253 L C -1.014 175.629 176.870 -0.378 0.000 1.015 253 L CA 0.079 54.799 54.840 -0.199 0.000 0.831 253 L CB 0.814 42.779 42.059 -0.156 0.000 1.217 253 L HN 0.180 nan 8.230 nan 0.000 0.420 254 F N 5.987 125.856 119.950 -0.135 0.000 2.411 254 F HA 0.514 5.041 4.527 0.000 0.000 0.350 254 F C 0.311 175.840 175.800 -0.451 0.000 1.114 254 F CA -0.310 57.540 58.000 -0.249 0.000 1.135 254 F CB 0.897 39.795 39.000 -0.169 0.000 1.120 254 F HN 0.238 nan 8.300 nan 0.000 0.495 255 I N 3.339 123.753 120.570 -0.259 0.000 2.418 255 I HA 0.291 4.461 4.170 0.000 0.000 0.287 255 I C -1.130 174.817 176.117 -0.282 0.000 1.008 255 I CA -0.528 60.579 61.300 -0.322 0.000 1.104 255 I CB 1.832 39.666 38.000 -0.276 0.000 1.264 255 I HN 0.442 nan 8.210 nan 0.000 0.438 256 D N 6.179 126.374 120.400 -0.342 0.000 2.386 256 D HA 0.266 4.906 4.640 0.000 0.000 0.247 256 D C -1.428 174.804 176.300 -0.113 0.000 1.336 256 D CA -0.317 53.574 54.000 -0.181 0.000 0.976 256 D CB 1.327 42.052 40.800 -0.125 0.000 1.257 256 D HN 0.631 nan 8.370 nan 0.000 0.570 257 N N 3.333 122.004 118.700 -0.047 0.000 2.336 257 N HA 0.184 4.924 4.740 0.000 0.000 0.290 257 N C 0.457 175.989 175.510 0.037 0.000 1.058 257 N CA -0.672 52.366 53.050 -0.020 0.000 0.865 257 N CB 1.281 39.783 38.487 0.025 0.000 1.581 257 N HN 0.210 nan 8.380 nan 0.000 0.480 258 I N 2.142 122.719 120.570 0.012 0.000 2.290 258 I HA -0.204 3.966 4.170 0.000 0.000 0.253 258 I C 1.467 177.709 176.117 0.207 0.000 1.112 258 I CA 1.403 62.751 61.300 0.080 0.000 1.377 258 I CB -0.316 37.683 38.000 -0.003 0.000 1.060 258 I HN 0.726 nan 8.210 nan 0.000 0.428 259 F N 1.213 121.202 119.950 0.066 0.000 2.216 259 F HA -0.178 4.349 4.527 0.000 0.000 0.300 259 F C 2.434 178.285 175.800 0.085 0.000 1.085 259 F CA 1.561 59.623 58.000 0.103 0.000 1.326 259 F CB -0.330 38.764 39.000 0.157 0.000 1.027 259 F HN -0.031 nan 8.300 nan 0.000 0.497 260 R N -1.185 119.311 120.500 -0.007 0.000 2.153 260 R HA -0.109 4.231 4.340 0.000 0.000 0.218 260 R C 2.176 178.419 176.300 -0.095 0.000 1.072 260 R CA 1.117 57.137 56.100 -0.132 0.000 0.990 260 R CB -0.774 29.514 30.300 -0.021 0.000 0.889 260 R HN 0.386 nan 8.270 nan 0.000 0.452 261 F N 1.750 121.619 119.950 -0.136 0.000 2.134 261 F HA -0.188 4.339 4.527 0.000 0.000 0.299 261 F C 1.995 177.720 175.800 -0.126 0.000 1.097 261 F CA 1.593 59.523 58.000 -0.116 0.000 1.264 261 F CB -0.460 38.481 39.000 -0.098 0.000 1.001 261 F HN -0.190 nan 8.300 nan 0.000 0.479 262 T N 0.375 114.706 114.554 -0.372 0.000 2.737 262 T HA -0.156 4.194 4.350 0.000 0.000 0.265 262 T C 1.881 176.363 174.700 -0.363 0.000 1.038 262 T CA 1.404 63.244 62.100 -0.433 0.000 1.144 262 T CB -0.184 68.576 68.868 -0.180 0.000 0.866 262 T HN 0.243 nan 8.240 nan 0.000 0.434 263 Q N 0.698 120.232 119.800 -0.444 0.000 2.170 263 Q HA 0.015 4.355 4.340 0.000 0.000 0.203 263 Q C 2.578 178.424 176.000 -0.256 0.000 0.976 263 Q CA 1.425 57.000 55.803 -0.380 0.000 0.858 263 Q CB -0.629 27.802 28.738 -0.511 0.000 0.907 263 Q HN 0.567 nan 8.270 nan 0.000 0.433 264 A N 0.625 123.297 122.820 -0.247 0.000 1.898 264 A HA -0.043 4.277 4.320 0.000 0.000 0.216 264 A C 2.314 179.792 177.584 -0.176 0.000 1.181 264 A CA 1.652 53.588 52.037 -0.169 0.000 0.620 264 A CB -1.103 17.825 19.000 -0.119 0.000 0.819 264 A HN 0.426 nan 8.150 nan 0.000 0.442 265 G N -0.469 108.170 108.800 -0.268 0.000 2.628 265 G HA2 -0.335 3.625 3.960 0.000 0.000 0.217 265 G HA3 -0.335 3.625 3.960 0.000 0.000 0.217 265 G C 1.930 176.741 174.900 -0.147 0.000 1.240 265 G CA 1.750 46.710 45.100 -0.233 0.000 0.792 265 G HN 0.604 nan 8.290 nan 0.000 0.593 266 S N 0.150 115.767 115.700 -0.138 0.000 2.423 266 S HA -0.148 4.323 4.470 0.000 0.000 0.238 266 S C 2.180 176.721 174.600 -0.099 0.000 1.028 266 S CA 2.134 60.278 58.200 -0.094 0.000 1.000 266 S CB -0.264 62.871 63.200 -0.109 0.000 0.797 266 S HN 0.615 nan 8.310 nan 0.000 0.487 267 E N -0.192 119.943 120.200 -0.108 0.000 2.011 267 E HA -0.026 4.324 4.350 0.000 0.000 0.191 267 E C 2.152 178.714 176.600 -0.064 0.000 0.980 267 E CA 1.121 57.470 56.400 -0.085 0.000 0.814 267 E CB -0.316 29.332 29.700 -0.086 0.000 0.775 267 E HN 0.290 nan 8.360 nan 0.000 0.454 268 V N 1.307 121.183 119.914 -0.063 0.000 2.363 268 V HA -0.324 3.796 4.120 0.000 0.000 0.254 268 V C 2.399 178.470 176.094 -0.038 0.000 1.074 268 V CA 2.166 64.440 62.300 -0.044 0.000 1.069 268 V CB -0.559 31.238 31.823 -0.043 0.000 0.659 268 V HN 0.297 nan 8.190 nan 0.000 0.455 269 S N -0.694 114.978 115.700 -0.046 0.000 2.428 269 S HA -0.009 4.461 4.470 0.000 0.000 0.230 269 S C 1.904 176.486 174.600 -0.030 0.000 1.014 269 S CA 1.153 59.332 58.200 -0.035 0.000 0.957 269 S CB -0.121 63.058 63.200 -0.035 0.000 0.784 269 S HN 0.631 nan 8.310 nan 0.000 0.499 270 A N 0.781 123.579 122.820 -0.036 0.000 2.123 270 A HA 0.366 4.686 4.320 0.000 0.000 0.214 270 A C 2.015 179.584 177.584 -0.025 0.000 1.152 270 A CA 0.283 52.301 52.037 -0.031 0.000 0.728 270 A CB -0.368 18.608 19.000 -0.040 0.000 0.814 270 A HN 0.554 nan 8.150 nan 0.000 0.464 271 L N -0.583 120.625 121.223 -0.025 0.000 2.131 271 L HA -0.010 4.330 4.340 0.000 0.000 0.206 271 L C 1.777 178.640 176.870 -0.012 0.000 1.087 271 L CA 0.726 55.555 54.840 -0.018 0.000 0.767 271 L CB -0.313 41.735 42.059 -0.018 0.000 0.917 271 L HN 0.345 nan 8.230 nan 0.000 0.441 272 L N 0.019 121.235 121.223 -0.012 0.000 2.599 272 L HA 0.110 4.450 4.340 0.000 0.000 0.230 272 L C 1.322 178.187 176.870 -0.007 0.000 1.141 272 L CA 0.351 55.187 54.840 -0.008 0.000 0.877 272 L CB -0.914 41.140 42.059 -0.009 0.000 1.009 272 L HN 0.466 nan 8.230 nan 0.000 0.447 273 G N 1.487 110.281 108.800 -0.010 0.000 2.283 273 G HA2 -0.329 3.631 3.960 0.000 0.000 0.280 273 G HA3 -0.329 3.631 3.960 0.000 0.000 0.280 273 G C 0.285 175.181 174.900 -0.008 0.000 1.029 273 G CA 0.095 45.189 45.100 -0.009 0.000 0.840 273 G HN 0.466 nan 8.290 nan 0.000 0.505 274 R N -0.696 119.798 120.500 -0.009 0.000 2.442 274 R HA 0.390 4.730 4.340 0.000 0.000 0.291 274 R C 1.188 177.485 176.300 -0.006 0.000 1.069 274 R CA -0.647 55.449 56.100 -0.006 0.000 1.022 274 R CB 0.896 31.192 30.300 -0.007 0.000 0.976 274 R HN 0.364 nan 8.270 nan 0.000 0.443 275 I N 5.082 125.650 120.570 -0.002 0.000 2.906 275 I HA -0.082 4.088 4.170 0.000 0.000 0.302 275 I C -1.745 174.373 176.117 0.002 0.000 1.220 275 I CA -1.070 60.230 61.300 -0.000 0.000 1.441 275 I CB 0.537 38.539 38.000 0.003 0.000 1.336 275 I HN 0.348 nan 8.210 nan 0.000 0.565 276 P HA 0.175 nan 4.420 nan 0.000 0.284 276 P C -0.490 176.822 177.300 0.020 0.000 1.253 276 P CA -0.384 62.719 63.100 0.005 0.000 0.800 276 P CB 1.400 33.094 31.700 -0.011 0.000 0.961 277 S N 1.729 117.453 115.700 0.040 0.000 2.549 277 S HA 0.519 4.989 4.470 0.000 0.000 0.260 277 S C 0.188 174.832 174.600 0.073 0.000 1.217 277 S CA -0.319 57.916 58.200 0.058 0.000 1.001 277 S CB -0.216 63.031 63.200 0.078 0.000 1.059 277 S HN 0.552 nan 8.310 nan 0.000 0.537 278 A N 0.294 123.167 122.820 0.089 0.000 2.511 278 A HA 0.410 4.730 4.320 0.000 0.000 0.242 278 A C 1.061 178.736 177.584 0.152 0.000 1.069 278 A CA 0.427 52.522 52.037 0.097 0.000 0.763 278 A CB -0.368 18.684 19.000 0.086 0.000 1.001 278 A HN 1.659 nan 8.150 nan 0.000 0.498 279 V N 1.609 121.588 119.914 0.109 0.000 2.070 279 V HA -0.325 3.795 4.120 0.000 0.000 0.100 279 V C 1.603 177.709 176.094 0.020 0.000 0.533 279 V CA 2.608 64.976 62.300 0.113 0.000 1.406 279 V CB -1.230 30.719 31.823 0.211 0.000 1.610 279 V HN 2.929 nan 8.190 nan 0.000 0.921 280 G N -2.967 105.826 108.800 -0.011 0.000 2.428 280 G HA2 -0.204 3.756 3.960 0.000 0.000 0.199 280 G HA3 -0.204 3.756 3.960 0.000 0.000 0.199 280 G C -0.047 174.748 174.900 -0.175 0.000 1.005 280 G CA 0.026 45.038 45.100 -0.146 0.000 0.671 280 G HN 0.809 nan 8.290 nan 0.000 0.485 281 Y N 3.190 123.495 120.300 0.008 0.000 2.321 281 Y HA 0.375 4.925 4.550 0.000 0.000 0.353 281 Y C 1.560 177.445 175.900 -0.025 0.000 1.276 281 Y CA 0.335 58.427 58.100 -0.013 0.000 1.545 281 Y CB 0.293 38.753 38.460 0.000 0.000 1.377 281 Y HN 0.400 nan 8.280 nan 0.000 0.650 282 Q N 1.240 121.117 119.800 0.128 0.000 2.454 282 Q HA 0.079 4.419 4.340 0.000 0.000 0.247 282 Q C -2.405 173.628 176.000 0.055 0.000 1.028 282 Q CA -1.638 54.194 55.803 0.048 0.000 0.910 282 Q CB 0.378 29.119 28.738 0.004 0.000 1.276 282 Q HN 0.358 nan 8.270 nan 0.000 0.489 283 P HA -0.002 nan 4.420 nan 0.000 0.231 283 P C 0.607 177.919 177.300 0.020 0.000 1.168 283 P CA 0.982 64.099 63.100 0.028 0.000 0.779 283 P CB 0.097 31.808 31.700 0.018 0.000 0.844 284 T N -1.176 113.385 114.554 0.011 0.000 3.160 284 T HA -0.008 4.342 4.350 0.000 0.000 0.257 284 T C 1.507 176.208 174.700 0.001 0.000 1.147 284 T CA 0.004 62.105 62.100 0.003 0.000 1.064 284 T CB -0.693 68.169 68.868 -0.010 0.000 0.949 284 T HN -0.062 nan 8.240 nan 0.000 0.526 285 L N 2.398 123.626 121.223 0.007 0.000 2.010 285 L HA -0.202 4.138 4.340 0.000 0.000 0.219 285 L C 2.637 179.506 176.870 -0.002 0.000 1.077 285 L CA 2.234 57.069 54.840 -0.009 0.000 0.773 285 L CB -1.254 40.801 42.059 -0.006 0.000 0.892 285 L HN 0.313 nan 8.230 nan 0.000 0.436 286 A N -1.835 120.999 122.820 0.022 0.000 1.898 286 A HA -0.189 4.131 4.320 0.000 0.000 0.216 286 A C 2.269 179.897 177.584 0.074 0.000 1.181 286 A CA 2.476 54.547 52.037 0.056 0.000 0.620 286 A CB -1.179 17.854 19.000 0.055 0.000 0.819 286 A HN 0.652 nan 8.150 nan 0.000 0.442 287 T N -3.196 111.389 114.554 0.052 0.000 3.009 287 T HA -0.033 4.317 4.350 0.000 0.000 0.258 287 T C 1.340 176.071 174.700 0.052 0.000 1.063 287 T CA 1.033 63.167 62.100 0.056 0.000 1.139 287 T CB -0.315 68.579 68.868 0.042 0.000 0.890 287 T HN 0.257 nan 8.240 nan 0.000 0.471 288 D N 1.268 121.686 120.400 0.030 0.000 2.116 288 D HA -0.106 4.534 4.640 0.000 0.000 0.193 288 D C 1.888 178.246 176.300 0.096 0.000 0.998 288 D CA 1.372 55.389 54.000 0.028 0.000 0.836 288 D CB -0.358 40.402 40.800 -0.067 0.000 0.951 288 D HN 0.346 nan 8.370 nan 0.000 0.449 289 M N 0.316 119.957 119.600 0.068 0.000 2.156 289 M HA 0.042 4.522 4.480 0.000 0.000 0.264 289 M C 1.991 178.248 176.300 -0.072 0.000 1.067 289 M CA 1.938 57.286 55.300 0.080 0.000 1.131 289 M CB -0.681 31.933 32.600 0.024 0.000 1.368 289 M HN -0.010 nan 8.290 nan 0.000 0.416 290 G N -1.103 107.702 108.800 0.008 0.000 2.446 290 G HA2 -0.256 3.704 3.960 0.000 0.000 0.217 290 G HA3 -0.256 3.704 3.960 0.000 0.000 0.217 290 G C 1.373 176.298 174.900 0.042 0.000 1.168 290 G CA 1.546 46.692 45.100 0.076 0.000 0.771 290 G HN 0.615 nan 8.290 nan 0.000 0.551 291 T N -2.227 112.358 114.554 0.051 0.000 3.215 291 T HA 0.235 4.585 4.350 0.000 0.000 0.254 291 T C 1.796 176.514 174.700 0.031 0.000 1.149 291 T CA 0.885 63.016 62.100 0.051 0.000 1.042 291 T CB 0.208 69.116 68.868 0.067 0.000 0.966 291 T HN 0.202 nan 8.240 nan 0.000 0.534 292 M N 0.207 119.804 119.600 -0.005 0.000 2.940 292 M HA 0.198 4.679 4.480 0.000 0.000 0.248 292 M C 1.741 177.967 176.300 -0.123 0.000 1.379 292 M CA 0.701 55.958 55.300 -0.073 0.000 1.262 292 M CB -0.155 32.367 32.600 -0.130 0.000 1.201 292 M HN 0.031 nan 8.290 nan 0.000 0.553 293 Q N 1.079 120.766 119.800 -0.188 0.000 2.376 293 Q HA -0.146 4.194 4.340 0.000 0.000 0.211 293 Q C 1.328 177.300 176.000 -0.047 0.000 0.986 293 Q CA 1.153 56.834 55.803 -0.203 0.000 0.886 293 Q CB -0.281 28.145 28.738 -0.521 0.000 0.927 293 Q HN 0.563 nan 8.270 nan 0.000 0.457 294 E N -0.127 120.070 120.200 -0.005 0.000 2.478 294 E HA 0.004 4.354 4.350 0.000 0.000 0.194 294 E C 1.474 178.079 176.600 0.007 0.000 1.045 294 E CA 0.102 56.525 56.400 0.040 0.000 0.868 294 E CB 0.230 29.970 29.700 0.067 0.000 0.885 294 E HN 0.341 nan 8.360 nan 0.000 0.505 295 R N -0.032 120.457 120.500 -0.019 0.000 2.210 295 R HA 0.220 4.560 4.340 0.000 0.000 0.203 295 R C 0.861 177.140 176.300 -0.035 0.000 1.010 295 R CA 0.188 56.275 56.100 -0.023 0.000 1.008 295 R CB 0.408 30.690 30.300 -0.030 0.000 0.923 295 R HN 0.021 nan 8.270 nan 0.000 0.469 296 I N 1.728 122.268 120.570 -0.050 0.000 2.308 296 I HA 0.085 4.255 4.170 0.000 0.000 0.293 296 I C 0.114 176.203 176.117 -0.047 0.000 1.078 296 I CA 0.272 61.534 61.300 -0.063 0.000 1.292 296 I CB 0.978 38.922 38.000 -0.094 0.000 1.423 296 I HN 0.005 nan 8.210 nan 0.000 0.493 297 T N 3.005 117.532 114.554 -0.045 0.000 2.676 297 T HA 0.203 4.553 4.350 0.000 0.000 0.308 297 T C -0.876 173.796 174.700 -0.046 0.000 1.740 297 T CA -0.585 61.489 62.100 -0.043 0.000 0.982 297 T CB 1.353 70.201 68.868 -0.034 0.000 1.724 297 T HN 0.386 nan 8.240 nan 0.000 0.497 298 T N 2.771 117.295 114.554 -0.051 0.000 2.729 298 T HA 0.543 4.893 4.350 0.000 0.000 0.296 298 T C 0.642 175.308 174.700 -0.056 0.000 0.928 298 T CA -0.314 61.754 62.100 -0.053 0.000 1.045 298 T CB 0.478 69.312 68.868 -0.056 0.000 0.902 298 T HN 0.835 nan 8.240 nan 0.000 0.500 299 T N 0.541 115.066 114.554 -0.049 0.000 2.923 299 T HA 0.394 4.744 4.350 0.000 0.000 0.281 299 T C 1.368 176.039 174.700 -0.049 0.000 0.995 299 T CA -1.056 61.014 62.100 -0.051 0.000 0.985 299 T CB 1.075 69.919 68.868 -0.040 0.000 1.114 299 T HN 0.252 nan 8.240 nan 0.000 0.548 300 K N 0.639 121.010 120.400 -0.047 0.000 2.103 300 K HA -0.068 4.253 4.320 0.000 0.000 0.207 300 K C 2.054 178.632 176.600 -0.036 0.000 1.048 300 K CA 1.416 57.678 56.287 -0.042 0.000 0.930 300 K CB -0.289 32.189 32.500 -0.037 0.000 0.716 300 K HN 0.635 nan 8.250 nan 0.000 0.444 301 K N -0.146 120.233 120.400 -0.035 0.000 2.217 301 K HA -0.024 4.296 4.320 0.000 0.000 0.202 301 K C 1.282 177.862 176.600 -0.034 0.000 1.051 301 K CA 0.841 57.107 56.287 -0.035 0.000 0.952 301 K CB 0.247 32.723 32.500 -0.039 0.000 0.736 301 K HN 0.278 nan 8.250 nan 0.000 0.453 302 G N -0.147 108.632 108.800 -0.034 0.000 2.452 302 G HA2 0.227 4.187 3.960 0.000 0.000 0.224 302 G HA3 0.227 4.187 3.960 0.000 0.000 0.224 302 G C -1.573 173.306 174.900 -0.035 0.000 1.208 302 G CA -0.194 44.887 45.100 -0.032 0.000 0.946 302 G HN 0.116 nan 8.290 nan 0.000 0.481 303 S N -0.882 114.800 115.700 -0.030 0.000 2.582 303 S HA 0.524 4.995 4.470 0.000 0.000 0.287 303 S C -1.180 173.400 174.600 -0.033 0.000 1.146 303 S CA -0.645 57.532 58.200 -0.037 0.000 0.941 303 S CB 0.780 63.949 63.200 -0.052 0.000 1.115 303 S HN 0.922 nan 8.310 nan 0.000 0.458 304 I N 3.804 124.354 120.570 -0.034 0.000 2.322 304 I HA 0.289 4.459 4.170 0.000 0.000 0.292 304 I C 0.126 176.194 176.117 -0.082 0.000 1.060 304 I CA -0.021 61.251 61.300 -0.046 0.000 1.309 304 I CB 1.303 39.281 38.000 -0.037 0.000 1.415 304 I HN 0.665 nan 8.210 nan 0.000 0.492 305 T N 4.486 118.977 114.554 -0.105 0.000 2.795 305 T HA 0.338 4.688 4.350 0.000 0.000 0.282 305 T C -0.101 174.462 174.700 -0.229 0.000 0.980 305 T CA -0.590 61.424 62.100 -0.143 0.000 1.012 305 T CB 1.380 70.177 68.868 -0.118 0.000 0.936 305 T HN 0.584 nan 8.240 nan 0.000 0.457 306 S N 2.516 118.056 115.700 -0.266 0.000 2.532 306 S HA 0.612 5.082 4.470 0.000 0.000 0.299 306 S C -0.777 173.580 174.600 -0.405 0.000 1.105 306 S CA -0.653 57.337 58.200 -0.349 0.000 1.018 306 S CB 1.037 64.076 63.200 -0.269 0.000 1.021 306 S HN 0.444 nan 8.310 nan 0.000 0.483 307 V N 5.459 125.060 119.914 -0.522 0.000 2.370 307 V HA 0.475 4.595 4.120 0.000 0.000 0.279 307 V C -0.496 175.445 176.094 -0.256 0.000 1.029 307 V CA -0.353 61.702 62.300 -0.408 0.000 0.870 307 V CB 1.345 32.940 31.823 -0.380 0.000 0.984 307 V HN 0.923 nan 8.190 nan 0.000 0.451 308 Q N 3.840 123.514 119.800 -0.211 0.000 2.310 308 Q HA 0.703 5.043 4.340 0.000 0.000 0.270 308 Q C -0.399 175.489 176.000 -0.186 0.000 1.025 308 Q CA -0.616 55.072 55.803 -0.191 0.000 0.772 308 Q CB 2.386 30.996 28.738 -0.214 0.000 1.253 308 Q HN 0.805 nan 8.270 nan 0.000 0.450 309 A N 4.171 126.907 122.820 -0.140 0.000 2.440 309 A HA 0.466 4.786 4.320 0.000 0.000 0.251 309 A C -0.057 177.394 177.584 -0.222 0.000 1.089 309 A CA -0.170 51.772 52.037 -0.158 0.000 0.779 309 A CB 0.199 19.162 19.000 -0.061 0.000 1.022 309 A HN 0.660 nan 8.150 nan 0.000 0.492 310 I N 1.566 121.892 120.570 -0.407 0.000 2.433 310 I HA 0.276 4.446 4.170 0.000 0.000 0.292 310 I C -0.743 175.245 176.117 -0.215 0.000 1.001 310 I CA -0.462 60.620 61.300 -0.363 0.000 1.119 310 I CB 1.131 38.734 38.000 -0.662 0.000 1.289 310 I HN 0.729 nan 8.210 nan 0.000 0.438 311 Y N 5.559 125.758 120.300 -0.167 0.000 2.323 311 Y HA 0.514 5.064 4.550 0.000 0.000 0.331 311 Y C -0.524 175.220 175.900 -0.260 0.000 1.092 311 Y CA -0.519 57.456 58.100 -0.209 0.000 1.150 311 Y CB 1.603 39.903 38.460 -0.266 0.000 1.200 311 Y HN 0.326 nan 8.280 nan 0.000 0.472 312 V N 8.728 128.173 119.914 -0.782 0.000 2.275 312 V HA 0.287 4.407 4.120 0.000 0.000 0.272 312 V C -2.266 173.368 176.094 -0.767 0.000 1.028 312 V CA -2.202 59.788 62.300 -0.518 0.000 0.810 312 V CB 0.614 32.337 31.823 -0.168 0.000 1.043 312 V HN 0.749 nan 8.190 nan 0.000 0.453 313 P HA -0.050 nan 4.420 nan 0.000 0.257 313 P C 0.790 178.014 177.300 -0.126 0.000 1.153 313 P CA 1.358 64.347 63.100 -0.185 0.000 0.762 313 P CB 0.356 32.080 31.700 0.040 0.000 0.743 314 A N 4.479 127.254 122.820 -0.076 0.000 2.861 314 A HA -0.253 4.067 4.320 0.000 0.000 0.261 314 A C 0.760 178.306 177.584 -0.064 0.000 1.351 314 A CA 1.036 53.054 52.037 -0.032 0.000 0.904 314 A CB -2.467 16.543 19.000 0.017 0.000 1.076 314 A HN 0.621 nan 8.150 nan 0.000 0.729 315 D N -0.912 119.407 120.400 -0.136 0.000 2.686 315 D HA -0.171 4.469 4.640 0.000 0.000 0.235 315 D C -0.289 175.981 176.300 -0.050 0.000 1.160 315 D CA 1.912 55.854 54.000 -0.097 0.000 0.645 315 D CB -0.848 39.915 40.800 -0.063 0.000 1.039 315 D HN 0.833 nan 8.370 nan 0.000 0.423 316 D N 0.378 120.752 120.400 -0.042 0.000 2.446 316 D HA 0.238 4.878 4.640 0.000 0.000 0.251 316 D C 1.305 177.609 176.300 0.007 0.000 1.137 316 D CA -0.577 53.417 54.000 -0.010 0.000 0.890 316 D CB 0.406 41.213 40.800 0.011 0.000 1.071 316 D HN 0.076 nan 8.370 nan 0.000 0.528 317 L N 2.242 123.463 121.223 -0.005 0.000 2.549 317 L HA -0.080 4.260 4.340 0.000 0.000 0.230 317 L C 2.064 178.920 176.870 -0.022 0.000 1.162 317 L CA 1.329 56.168 54.840 -0.003 0.000 0.834 317 L CB -0.119 41.884 42.059 -0.093 0.000 0.947 317 L HN 0.443 nan 8.230 nan 0.000 0.452 318 T N -5.383 109.165 114.554 -0.011 0.000 3.022 318 T HA -0.019 4.331 4.350 0.000 0.000 0.250 318 T C 0.803 175.518 174.700 0.025 0.000 1.060 318 T CA -0.480 61.614 62.100 -0.009 0.000 1.013 318 T CB -0.038 68.820 68.868 -0.017 0.000 0.982 318 T HN 0.144 nan 8.240 nan 0.000 0.508 319 D N 2.773 123.203 120.400 0.049 0.000 2.506 319 D HA 0.021 4.661 4.640 0.000 0.000 0.234 319 D C -1.516 174.807 176.300 0.038 0.000 1.143 319 D CA -1.194 52.858 54.000 0.086 0.000 0.871 319 D CB 1.532 42.408 40.800 0.128 0.000 1.190 319 D HN 0.034 nan 8.370 nan 0.000 0.459 320 P HA -0.135 nan 4.420 nan 0.000 0.216 320 P C 0.925 178.060 177.300 -0.276 0.000 1.150 320 P CA 2.011 65.005 63.100 -0.177 0.000 0.837 320 P CB 0.050 31.568 31.700 -0.303 0.000 0.786 321 A N 0.144 122.713 122.820 -0.419 0.000 1.841 321 A HA -0.146 4.174 4.320 0.000 0.000 0.216 321 A C -0.043 177.569 177.584 0.047 0.000 1.199 321 A CA 2.361 54.264 52.037 -0.223 0.000 0.621 321 A CB -2.326 16.794 19.000 0.201 0.000 0.835 321 A HN 0.198 nan 8.150 nan 0.000 0.445 322 P HA -0.119 nan 4.420 nan 0.000 0.214 322 P C 1.778 179.321 177.300 0.405 0.000 1.163 322 P CA 2.094 65.351 63.100 0.261 0.000 0.883 322 P CB -0.271 31.625 31.700 0.326 0.000 0.788 323 A N -0.741 122.241 122.820 0.271 0.000 1.927 323 A HA -0.255 4.065 4.320 0.000 0.000 0.220 323 A C 2.292 179.992 177.584 0.193 0.000 1.185 323 A CA 2.855 55.015 52.037 0.205 0.000 0.639 323 A CB -2.057 16.982 19.000 0.064 0.000 0.820 323 A HN 0.202 nan 8.150 nan 0.000 0.451 324 T N -0.430 114.194 114.554 0.116 0.000 2.777 324 T HA -0.109 4.241 4.350 0.000 0.000 0.266 324 T C 2.036 176.862 174.700 0.210 0.000 1.040 324 T CA 1.875 64.049 62.100 0.123 0.000 1.141 324 T CB -0.572 68.327 68.868 0.052 0.000 0.868 324 T HN 0.603 nan 8.240 nan 0.000 0.444 325 T N 1.833 116.488 114.554 0.169 0.000 2.652 325 T HA -0.070 4.280 4.350 0.000 0.000 0.267 325 T C 1.608 176.398 174.700 0.150 0.000 1.039 325 T CA 1.195 63.364 62.100 0.115 0.000 1.153 325 T CB -0.718 68.141 68.868 -0.014 0.000 0.863 325 T HN 0.282 nan 8.240 nan 0.000 0.428 326 F N 1.833 121.851 119.950 0.113 0.000 2.184 326 F HA -0.163 4.364 4.527 0.000 0.000 0.301 326 F C 2.620 178.459 175.800 0.065 0.000 1.076 326 F CA 0.866 58.923 58.000 0.096 0.000 1.295 326 F CB -0.746 38.299 39.000 0.075 0.000 1.026 326 F HN 0.152 nan 8.300 nan 0.000 0.494 327 A N -0.974 121.989 122.820 0.239 0.000 1.978 327 A HA -0.223 4.097 4.320 0.000 0.000 0.220 327 A C 1.783 179.315 177.584 -0.086 0.000 1.170 327 A CA 1.834 53.893 52.037 0.036 0.000 0.636 327 A CB -0.930 18.034 19.000 -0.060 0.000 0.810 327 A HN 0.542 nan 8.150 nan 0.000 0.448 328 H N -1.377 117.724 119.070 0.051 0.000 2.539 328 H HA 0.289 4.845 4.556 0.000 0.000 0.269 328 H C -0.056 175.268 175.328 -0.007 0.000 0.980 328 H CA -0.125 55.931 56.048 0.012 0.000 1.152 328 H CB 0.065 29.822 29.762 -0.008 0.000 1.407 328 H HN 0.322 nan 8.280 nan 0.000 0.564 329 L N 1.457 122.743 121.223 0.105 0.000 2.326 329 L HA 0.072 4.412 4.340 0.000 0.000 0.278 329 L C 0.852 177.754 176.870 0.054 0.000 1.092 329 L CA 0.051 54.921 54.840 0.049 0.000 0.810 329 L CB 1.127 43.199 42.059 0.023 0.000 1.153 329 L HN 0.083 nan 8.230 nan 0.000 0.439 330 D N 1.987 122.398 120.400 0.019 0.000 2.398 330 D HA 0.350 4.990 4.640 0.000 0.000 0.210 330 D C 0.087 176.410 176.300 0.039 0.000 1.094 330 D CA 0.344 54.356 54.000 0.020 0.000 0.839 330 D CB 1.405 42.201 40.800 -0.006 0.000 0.963 330 D HN 0.592 nan 8.370 nan 0.000 0.506 331 A N 0.174 123.025 122.820 0.052 0.000 2.550 331 A HA 0.481 4.801 4.320 0.000 0.000 0.295 331 A C -0.860 176.789 177.584 0.108 0.000 1.001 331 A CA -0.727 51.363 52.037 0.087 0.000 0.660 331 A CB 0.946 20.017 19.000 0.118 0.000 1.308 331 A HN -0.034 nan 8.150 nan 0.000 0.426 332 T N -0.868 113.770 114.554 0.140 0.000 2.893 332 T HA 0.811 5.161 4.350 0.000 0.000 0.291 332 T C -0.614 174.203 174.700 0.195 0.000 1.028 332 T CA -0.611 61.594 62.100 0.174 0.000 0.995 332 T CB 1.856 70.773 68.868 0.083 0.000 1.051 332 T HN 0.858 nan 8.240 nan 0.000 0.470 333 T N 2.093 116.801 114.554 0.257 0.000 2.864 333 T HA 0.505 4.855 4.350 0.000 0.000 0.299 333 T C -0.539 174.312 174.700 0.251 0.000 1.011 333 T CA -0.556 61.692 62.100 0.248 0.000 0.975 333 T CB 0.941 70.002 68.868 0.321 0.000 0.962 333 T HN 0.630 nan 8.240 nan 0.000 0.448 334 V N 5.539 125.545 119.914 0.153 0.000 2.347 334 V HA 0.419 4.540 4.120 0.000 0.000 0.280 334 V C 0.111 176.279 176.094 0.123 0.000 1.021 334 V CA -0.853 61.528 62.300 0.135 0.000 0.847 334 V CB 0.987 32.815 31.823 0.008 0.000 0.990 334 V HN 0.742 nan 8.190 nan 0.000 0.444 335 L N 3.516 124.833 121.223 0.155 0.000 2.326 335 L HA 0.503 4.843 4.340 0.000 0.000 0.278 335 L C 0.470 177.400 176.870 0.100 0.000 1.092 335 L CA 0.190 55.108 54.840 0.129 0.000 0.810 335 L CB 1.452 43.597 42.059 0.144 0.000 1.153 335 L HN 0.579 nan 8.230 nan 0.000 0.439 336 S N 1.421 117.166 115.700 0.075 0.000 2.552 336 S HA 0.339 4.809 4.470 0.000 0.000 0.314 336 S C 0.754 175.384 174.600 0.051 0.000 1.099 336 S CA -0.666 57.563 58.200 0.049 0.000 1.070 336 S CB 1.598 64.809 63.200 0.018 0.000 0.998 336 S HN 0.619 nan 8.310 nan 0.000 0.474 337 R N 2.822 123.353 120.500 0.052 0.000 2.105 337 R HA -0.106 4.234 4.340 0.000 0.000 0.239 337 R C 2.276 178.595 176.300 0.032 0.000 1.135 337 R CA 1.807 57.938 56.100 0.052 0.000 0.967 337 R CB -0.408 29.920 30.300 0.047 0.000 0.861 337 R HN 0.770 nan 8.270 nan 0.000 0.442 338 A N 1.511 124.340 122.820 0.016 0.000 1.859 338 A HA -0.265 4.056 4.320 0.000 0.000 0.218 338 A C 1.952 179.523 177.584 -0.023 0.000 1.242 338 A CA 1.961 53.995 52.037 -0.005 0.000 0.661 338 A CB -0.854 18.137 19.000 -0.014 0.000 0.842 338 A HN 0.239 nan 8.150 nan 0.000 0.455 339 I N -0.040 120.512 120.570 -0.030 0.000 2.194 339 I HA -0.289 3.881 4.170 0.000 0.000 0.246 339 I C 2.936 179.005 176.117 -0.080 0.000 1.093 339 I CA 1.625 62.887 61.300 -0.062 0.000 1.355 339 I CB -1.800 36.171 38.000 -0.049 0.000 1.046 339 I HN 0.419 nan 8.210 nan 0.000 0.413 340 A N -0.029 122.783 122.820 -0.015 0.000 2.019 340 A HA -0.223 4.097 4.320 0.000 0.000 0.219 340 A C 2.298 179.887 177.584 0.008 0.000 1.164 340 A CA 1.642 53.697 52.037 0.029 0.000 0.644 340 A CB -0.594 18.498 19.000 0.154 0.000 0.805 340 A HN 0.435 nan 8.150 nan 0.000 0.449 341 E N -0.107 120.094 120.200 0.002 0.000 2.106 341 E HA -0.069 4.281 4.350 0.000 0.000 0.192 341 E C 1.307 177.882 176.600 -0.041 0.000 0.984 341 E CA 0.887 57.290 56.400 0.006 0.000 0.806 341 E CB -0.194 29.509 29.700 0.005 0.000 0.750 341 E HN 0.679 nan 8.360 nan 0.000 0.458 342 L N -0.698 120.466 121.223 -0.098 0.000 2.660 342 L HA 0.240 4.580 4.340 0.000 0.000 0.238 342 L C 1.153 177.879 176.870 -0.240 0.000 1.161 342 L CA 0.243 55.000 54.840 -0.138 0.000 0.937 342 L CB -0.706 41.268 42.059 -0.142 0.000 1.122 342 L HN 0.221 nan 8.230 nan 0.000 0.435 343 G N 1.092 109.727 108.800 -0.275 0.000 2.225 343 G HA2 -0.261 3.699 3.960 0.000 0.000 0.267 343 G HA3 -0.261 3.699 3.960 0.000 0.000 0.267 343 G C 0.157 174.515 174.900 -0.904 0.000 1.024 343 G CA -0.123 44.690 45.100 -0.478 0.000 0.784 343 G HN 0.266 nan 8.290 nan 0.000 0.507 344 I N 0.570 120.650 120.570 -0.817 0.000 2.315 344 I HA 0.444 4.614 4.170 0.000 0.000 0.291 344 I C -0.322 175.405 176.117 -0.650 0.000 1.006 344 I CA -1.051 59.877 61.300 -0.620 0.000 1.265 344 I CB 0.670 38.474 38.000 -0.326 0.000 1.387 344 I HN 0.084 nan 8.210 nan 0.000 0.475 345 Y N 7.280 127.600 120.300 0.034 0.000 2.361 345 Y HA 0.479 5.030 4.550 0.000 0.000 0.337 345 Y C -2.284 173.550 175.900 -0.110 0.000 0.965 345 Y CA -3.264 54.829 58.100 -0.012 0.000 1.091 345 Y CB 1.346 39.792 38.460 -0.025 0.000 1.182 345 Y HN 0.398 nan 8.280 nan 0.000 0.450 346 P HA 0.299 nan 4.420 nan 0.000 0.281 346 P C -0.442 176.958 177.300 0.166 0.000 1.249 346 P CA -0.734 62.520 63.100 0.255 0.000 0.810 346 P CB 1.158 33.092 31.700 0.391 0.000 1.008 347 A N 2.430 125.357 122.820 0.179 0.000 3.029 347 A HA 0.255 4.575 4.320 0.000 0.000 0.251 347 A C 0.181 177.813 177.584 0.079 0.000 1.749 347 A CA -0.206 51.885 52.037 0.090 0.000 1.386 347 A CB -1.382 17.681 19.000 0.105 0.000 1.043 347 A HN 0.359 nan 8.150 nan 0.000 0.638 348 V N 1.450 121.408 119.914 0.073 0.000 2.432 348 V HA 0.071 4.192 4.120 0.000 0.000 0.271 348 V C 0.409 176.513 176.094 0.017 0.000 1.046 348 V CA -0.710 61.628 62.300 0.063 0.000 0.945 348 V CB 1.156 33.021 31.823 0.070 0.000 0.992 348 V HN 0.616 nan 8.190 nan 0.000 0.471 349 D N 8.170 128.576 120.400 0.010 0.000 2.346 349 D HA 0.110 4.750 4.640 0.000 0.000 0.260 349 D C -1.399 174.885 176.300 -0.027 0.000 1.252 349 D CA -1.526 52.462 54.000 -0.020 0.000 0.895 349 D CB 1.826 42.612 40.800 -0.023 0.000 1.097 349 D HN 0.327 nan 8.370 nan 0.000 0.489 350 P HA 0.019 nan 4.420 nan 0.000 0.249 350 P C 1.124 178.389 177.300 -0.058 0.000 1.229 350 P CA 0.294 63.360 63.100 -0.057 0.000 0.788 350 P CB 0.534 32.186 31.700 -0.080 0.000 1.072 351 L N -1.131 120.060 121.223 -0.054 0.000 2.433 351 L HA 0.167 4.507 4.340 0.000 0.000 0.200 351 L C 2.158 179.000 176.870 -0.047 0.000 1.059 351 L CA 0.648 55.457 54.840 -0.051 0.000 0.835 351 L CB -0.912 41.114 42.059 -0.055 0.000 1.076 351 L HN -0.172 nan 8.230 nan 0.000 0.481 352 D N 0.172 120.540 120.400 -0.052 0.000 2.144 352 D HA -0.078 4.562 4.640 0.000 0.000 0.199 352 D C 0.777 177.036 176.300 -0.068 0.000 0.984 352 D CA 0.693 54.652 54.000 -0.068 0.000 0.834 352 D CB 0.236 40.991 40.800 -0.076 0.000 0.955 352 D HN 0.037 nan 8.370 nan 0.000 0.465 353 S N -0.657 115.021 115.700 -0.036 0.000 2.548 353 S HA 0.423 4.893 4.470 0.000 0.000 0.277 353 S C 0.149 174.753 174.600 0.006 0.000 1.315 353 S CA -0.297 57.902 58.200 -0.002 0.000 1.050 353 S CB 1.356 64.573 63.200 0.030 0.000 0.918 353 S HN 0.299 nan 8.310 nan 0.000 0.497 354 T N 0.454 115.027 114.554 0.031 0.000 2.840 354 T HA 0.627 4.977 4.350 0.000 0.000 0.317 354 T C -1.294 173.447 174.700 0.068 0.000 1.401 354 T CA -0.649 61.474 62.100 0.038 0.000 1.028 354 T CB 1.734 70.613 68.868 0.018 0.000 1.317 354 T HN 0.449 nan 8.240 nan 0.000 0.495 355 S N 0.489 116.226 115.700 0.062 0.000 2.541 355 S HA 0.478 4.948 4.470 0.000 0.000 0.280 355 S C 0.670 175.297 174.600 0.045 0.000 1.112 355 S CA -0.748 57.493 58.200 0.069 0.000 0.925 355 S CB 1.854 65.102 63.200 0.079 0.000 1.067 355 S HN 0.876 nan 8.310 nan 0.000 0.479 356 R N 2.936 123.459 120.500 0.038 0.000 2.276 356 R HA 0.131 4.471 4.340 0.000 0.000 0.203 356 R C 1.246 177.545 176.300 -0.001 0.000 1.017 356 R CA 1.282 57.393 56.100 0.019 0.000 1.010 356 R CB -0.411 29.900 30.300 0.019 0.000 0.900 356 R HN 0.814 nan 8.270 nan 0.000 0.469 357 I N -2.238 118.331 120.570 -0.003 0.000 3.855 357 I HA 0.214 4.384 4.170 0.000 0.000 0.327 357 I C 0.312 176.400 176.117 -0.049 0.000 1.359 357 I CA -0.279 61.001 61.300 -0.033 0.000 1.142 357 I CB 0.441 38.420 38.000 -0.036 0.000 1.041 357 I HN -0.071 nan 8.210 nan 0.000 0.403 358 M N 2.262 121.858 119.600 -0.007 0.000 3.484 358 M HA 0.222 4.702 4.480 0.000 0.000 0.196 358 M C -0.388 175.913 176.300 0.002 0.000 1.359 358 M CA 0.341 55.673 55.300 0.054 0.000 1.510 358 M CB -1.570 31.105 32.600 0.124 0.000 1.284 358 M HN 0.237 nan 8.290 nan 0.000 0.463 359 D N 1.140 121.467 120.400 -0.121 0.000 2.193 359 D HA 0.296 4.937 4.640 0.000 0.000 0.244 359 D C -1.595 174.494 176.300 -0.353 0.000 1.064 359 D CA -1.917 51.919 54.000 -0.273 0.000 0.845 359 D CB 2.152 42.852 40.800 -0.166 0.000 1.148 359 D HN 0.079 nan 8.370 nan 0.000 0.464 360 P HA -0.144 nan 4.420 nan 0.000 0.218 360 P C 1.060 178.253 177.300 -0.178 0.000 1.149 360 P CA 0.640 63.504 63.100 -0.393 0.000 0.817 360 P CB 0.490 31.885 31.700 -0.508 0.000 0.785 361 N N -0.060 118.523 118.700 -0.194 0.000 2.192 361 N HA -0.121 4.619 4.740 0.000 0.000 0.188 361 N C 1.741 177.202 175.510 -0.081 0.000 1.013 361 N CA 1.218 54.201 53.050 -0.112 0.000 0.863 361 N CB -0.157 38.264 38.487 -0.109 0.000 0.990 361 N HN 0.279 nan 8.380 nan 0.000 0.430 362 I N -0.228 120.285 120.570 -0.095 0.000 3.172 362 I HA -0.013 4.157 4.170 0.000 0.000 0.278 362 I C 1.344 177.421 176.117 -0.067 0.000 1.174 362 I CA 0.225 61.482 61.300 -0.072 0.000 1.445 362 I CB 0.096 38.051 38.000 -0.075 0.000 1.175 362 I HN -0.137 nan 8.210 nan 0.000 0.447 363 V N -0.913 118.948 119.914 -0.088 0.000 4.813 363 V HA 0.689 4.809 4.120 0.000 0.000 0.275 363 V C 1.049 177.146 176.094 0.005 0.000 1.377 363 V CA -0.444 61.804 62.300 -0.086 0.000 0.774 363 V CB -0.598 31.048 31.823 -0.294 0.000 1.308 363 V HN 0.147 nan 8.190 nan 0.000 0.426 364 G N -0.231 108.627 108.800 0.098 0.000 2.712 364 G HA2 0.347 4.307 3.960 0.000 0.000 0.258 364 G HA3 0.347 4.307 3.960 0.000 0.000 0.258 364 G C 0.651 175.637 174.900 0.144 0.000 1.241 364 G CA 0.341 45.531 45.100 0.151 0.000 0.923 364 G HN 0.912 nan 8.290 nan 0.000 0.548 365 S N -1.434 114.348 115.700 0.136 0.000 2.497 365 S HA 0.052 4.522 4.470 0.000 0.000 0.218 365 S C 1.739 176.448 174.600 0.182 0.000 1.023 365 S CA 0.430 58.727 58.200 0.161 0.000 0.913 365 S CB 0.322 63.583 63.200 0.103 0.000 0.800 365 S HN 0.744 nan 8.310 nan 0.000 0.505 366 E N 1.558 121.848 120.200 0.150 0.000 2.021 366 E HA -0.172 4.178 4.350 0.000 0.000 0.189 366 E C 1.825 178.522 176.600 0.162 0.000 0.980 366 E CA 0.806 57.281 56.400 0.125 0.000 0.803 366 E CB -0.219 29.540 29.700 0.097 0.000 0.766 366 E HN 0.658 nan 8.360 nan 0.000 0.449 367 H N -1.227 117.897 119.070 0.090 0.000 2.319 367 H HA -0.246 4.310 4.556 0.000 0.000 0.297 367 H C 2.115 177.501 175.328 0.096 0.000 1.097 367 H CA 2.093 58.192 56.048 0.084 0.000 1.285 367 H CB -0.128 29.684 29.762 0.083 0.000 1.368 367 H HN 0.264 nan 8.280 nan 0.000 0.495 368 Y N 1.443 121.869 120.300 0.209 0.000 2.089 368 Y HA -0.219 4.331 4.550 0.000 0.000 0.282 368 Y C 2.154 178.104 175.900 0.083 0.000 1.139 368 Y CA 1.954 60.120 58.100 0.109 0.000 1.123 368 Y CB -0.635 37.852 38.460 0.045 0.000 0.980 368 Y HN 0.266 nan 8.280 nan 0.000 0.493 369 D N -0.415 119.966 120.400 -0.033 0.000 2.133 369 D HA -0.191 4.449 4.640 0.000 0.000 0.195 369 D C 2.419 178.648 176.300 -0.119 0.000 0.997 369 D CA 1.653 55.572 54.000 -0.135 0.000 0.840 369 D CB -0.433 40.380 40.800 0.021 0.000 0.947 369 D HN 0.314 nan 8.370 nan 0.000 0.452 370 V N 1.084 120.977 119.914 -0.036 0.000 2.261 370 V HA -0.251 3.869 4.120 0.000 0.000 0.246 370 V C 2.496 178.549 176.094 -0.068 0.000 1.047 370 V CA 1.880 64.166 62.300 -0.023 0.000 1.015 370 V CB -0.872 30.954 31.823 0.006 0.000 0.642 370 V HN 0.208 nan 8.190 nan 0.000 0.446 371 A N -0.145 122.632 122.820 -0.071 0.000 1.873 371 A HA -0.260 4.060 4.320 0.000 0.000 0.218 371 A C 2.304 179.795 177.584 -0.156 0.000 1.193 371 A CA 1.858 53.836 52.037 -0.098 0.000 0.629 371 A CB -0.622 18.383 19.000 0.008 0.000 0.826 371 A HN 0.383 nan 8.150 nan 0.000 0.447 372 R N -0.529 119.808 120.500 -0.272 0.000 2.170 372 R HA -0.154 4.186 4.340 0.000 0.000 0.242 372 R C 2.216 178.424 176.300 -0.154 0.000 1.145 372 R CA 1.278 57.215 56.100 -0.272 0.000 0.984 372 R CB -1.249 28.770 30.300 -0.469 0.000 0.869 372 R HN 0.601 nan 8.270 nan 0.000 0.455 373 G N -0.192 108.535 108.800 -0.122 0.000 2.404 373 G HA2 -0.153 3.807 3.960 0.000 0.000 0.214 373 G HA3 -0.153 3.807 3.960 0.000 0.000 0.214 373 G C 1.516 176.391 174.900 -0.041 0.000 1.189 373 G CA 0.569 45.632 45.100 -0.061 0.000 0.789 373 G HN 0.175 nan 8.290 nan 0.000 0.533 374 V N 0.566 120.446 119.914 -0.057 0.000 2.469 374 V HA -0.257 3.863 4.120 0.000 0.000 0.251 374 V C 2.796 178.850 176.094 -0.066 0.000 1.064 374 V CA 2.182 64.444 62.300 -0.064 0.000 1.066 374 V CB -0.662 31.049 31.823 -0.187 0.000 0.667 374 V HN 0.376 nan 8.190 nan 0.000 0.461 375 Q N -0.108 119.643 119.800 -0.081 0.000 1.990 375 Q HA -0.210 4.130 4.340 0.000 0.000 0.200 375 Q C 2.490 178.467 176.000 -0.038 0.000 0.980 375 Q CA 1.887 57.651 55.803 -0.065 0.000 0.832 375 Q CB -0.252 28.444 28.738 -0.071 0.000 0.897 375 Q HN 0.530 nan 8.270 nan 0.000 0.427 376 K N 0.671 121.048 120.400 -0.037 0.000 2.020 376 K HA -0.207 4.113 4.320 0.000 0.000 0.212 376 K C 2.070 178.673 176.600 0.006 0.000 1.050 376 K CA 1.425 57.701 56.287 -0.018 0.000 0.929 376 K CB -0.326 32.160 32.500 -0.022 0.000 0.714 376 K HN 0.259 nan 8.250 nan 0.000 0.443 377 I N 1.071 121.649 120.570 0.014 0.000 2.208 377 I HA -0.309 3.861 4.170 0.000 0.000 0.245 377 I C 2.058 178.223 176.117 0.080 0.000 1.097 377 I CA 1.201 62.528 61.300 0.046 0.000 1.363 377 I CB 0.039 38.069 38.000 0.051 0.000 1.051 377 I HN 0.273 nan 8.210 nan 0.000 0.413 378 L N 0.093 121.344 121.223 0.048 0.000 2.093 378 L HA -0.249 4.091 4.340 0.000 0.000 0.208 378 L C 2.576 179.455 176.870 0.016 0.000 1.085 378 L CA 1.402 56.263 54.840 0.034 0.000 0.755 378 L CB -0.367 41.680 42.059 -0.021 0.000 0.904 378 L HN 0.303 nan 8.230 nan 0.000 0.435 379 Q N -0.462 119.343 119.800 0.009 0.000 2.016 379 Q HA -0.203 4.137 4.340 0.000 0.000 0.200 379 Q C 1.863 177.889 176.000 0.043 0.000 0.978 379 Q CA 1.567 57.374 55.803 0.006 0.000 0.833 379 Q CB -0.118 28.618 28.738 -0.004 0.000 0.895 379 Q HN 0.356 nan 8.270 nan 0.000 0.427 380 D N -0.137 120.297 120.400 0.055 0.000 2.157 380 D HA -0.221 4.419 4.640 0.000 0.000 0.191 380 D C 1.637 178.016 176.300 0.132 0.000 1.004 380 D CA 1.205 55.246 54.000 0.069 0.000 0.854 380 D CB -0.390 40.441 40.800 0.051 0.000 0.936 380 D HN 0.230 nan 8.370 nan 0.000 0.446 381 Y N 1.630 121.924 120.300 -0.009 0.000 2.097 381 Y HA -0.170 4.380 4.550 0.000 0.000 0.282 381 Y C 1.993 177.887 175.900 -0.009 0.000 1.152 381 Y CA 1.536 59.632 58.100 -0.007 0.000 1.136 381 Y CB -0.578 37.878 38.460 -0.007 0.000 0.975 381 Y HN -0.117 nan 8.280 nan 0.000 0.498 382 K N -0.220 120.271 120.400 0.151 0.000 2.585 382 K HA -0.084 4.236 4.320 0.000 0.000 0.194 382 K C 1.795 178.432 176.600 0.062 0.000 1.037 382 K CA 0.920 57.208 56.287 0.003 0.000 0.964 382 K CB 0.031 32.480 32.500 -0.085 0.000 0.787 382 K HN 0.264 nan 8.250 nan 0.000 0.488 383 S N 0.125 115.886 115.700 0.101 0.000 2.452 383 S HA 0.110 4.580 4.470 0.000 0.000 0.225 383 S C 1.500 176.144 174.600 0.073 0.000 1.057 383 S CA 0.059 58.298 58.200 0.065 0.000 0.949 383 S CB 0.081 63.308 63.200 0.046 0.000 0.836 383 S HN 0.232 nan 8.310 nan 0.000 0.518 384 L N 1.702 122.981 121.223 0.093 0.000 2.187 384 L HA -0.117 4.223 4.340 0.000 0.000 0.213 384 L C 2.480 179.403 176.870 0.087 0.000 1.100 384 L CA 1.120 55.997 54.840 0.062 0.000 0.765 384 L CB -0.661 41.406 42.059 0.015 0.000 0.904 384 L HN 0.376 nan 8.230 nan 0.000 0.437 385 Q N 0.055 119.955 119.800 0.167 0.000 2.291 385 Q HA -0.195 4.145 4.340 0.000 0.000 0.206 385 Q C 1.226 177.274 176.000 0.080 0.000 0.976 385 Q CA 1.240 57.143 55.803 0.167 0.000 0.875 385 Q CB 0.127 28.970 28.738 0.175 0.000 0.927 385 Q HN 0.549 nan 8.270 nan 0.000 0.450 386 D N -0.683 119.751 120.400 0.057 0.000 2.327 386 D HA 0.027 4.667 4.640 0.000 0.000 0.205 386 D C 1.530 177.846 176.300 0.026 0.000 0.989 386 D CA 0.440 54.460 54.000 0.032 0.000 0.873 386 D CB 0.235 41.048 40.800 0.023 0.000 0.955 386 D HN 0.250 nan 8.370 nan 0.000 0.515 387 I N 0.639 121.226 120.570 0.028 0.000 2.185 387 I HA -0.114 4.056 4.170 0.000 0.000 0.235 387 I C 2.251 178.379 176.117 0.017 0.000 1.069 387 I CA 0.478 61.789 61.300 0.018 0.000 1.354 387 I CB -0.174 37.834 38.000 0.014 0.000 1.093 387 I HN -0.151 nan 8.210 nan 0.000 0.411 388 I N 1.353 121.934 120.570 0.020 0.000 2.290 388 I HA -0.386 3.784 4.170 0.000 0.000 0.253 388 I C 2.696 178.825 176.117 0.021 0.000 1.112 388 I CA 1.531 62.841 61.300 0.017 0.000 1.377 388 I CB -0.578 37.435 38.000 0.022 0.000 1.060 388 I HN 0.297 nan 8.210 nan 0.000 0.428 389 A N 1.121 123.957 122.820 0.027 0.000 1.854 389 A HA 0.011 4.331 4.320 0.000 0.000 0.214 389 A C 1.190 178.783 177.584 0.015 0.000 1.192 389 A CA 1.191 53.242 52.037 0.023 0.000 0.611 389 A CB -0.367 18.648 19.000 0.024 0.000 0.832 389 A HN 0.462 nan 8.150 nan 0.000 0.442 390 I N -3.524 117.054 120.570 0.013 0.000 2.698 390 I HA 0.565 4.735 4.170 0.000 0.000 0.276 390 I C -0.197 175.925 176.117 0.008 0.000 1.166 390 I CA -0.000 61.305 61.300 0.009 0.000 1.101 390 I CB 1.476 39.480 38.000 0.008 0.000 1.305 390 I HN 0.096 nan 8.210 nan 0.000 0.526 391 L N 2.083 123.310 121.223 0.006 0.000 1.728 391 L HA 0.468 4.808 4.340 0.000 0.000 0.193 391 L C 0.245 177.116 176.870 0.002 0.000 1.247 391 L CA 1.054 55.897 54.840 0.004 0.000 1.304 391 L CB 0.385 42.447 42.059 0.005 0.000 2.616 391 L HN 0.753 nan 8.230 nan 0.000 0.504 392 G N 0.216 109.018 108.800 0.002 0.000 2.322 392 G HA2 0.129 4.089 3.960 0.000 0.000 0.289 392 G HA3 0.129 4.089 3.960 0.000 0.000 0.289 392 G C -0.264 174.634 174.900 -0.002 0.000 1.687 392 G CA 0.129 45.229 45.100 -0.000 0.000 0.944 392 G HN 0.022 nan 8.290 nan 0.000 0.718 393 M N 0.397 119.994 119.600 -0.004 0.000 2.447 393 M HA 0.159 4.639 4.480 0.000 0.000 0.264 393 M C 1.007 177.298 176.300 -0.015 0.000 1.095 393 M CA 1.298 56.593 55.300 -0.007 0.000 1.125 393 M CB 0.242 32.839 32.600 -0.005 0.000 1.389 393 M HN 0.485 nan 8.290 nan 0.000 0.459 394 D N -0.323 120.070 120.400 -0.012 0.000 2.395 394 D HA -0.002 4.638 4.640 0.000 0.000 0.213 394 D C 0.867 177.158 176.300 -0.014 0.000 1.110 394 D CA 0.088 54.079 54.000 -0.015 0.000 0.835 394 D CB 0.096 40.888 40.800 -0.012 0.000 0.965 394 D HN 0.321 nan 8.370 nan 0.000 0.505 395 E N 0.662 120.855 120.200 -0.012 0.000 2.515 395 E HA -0.020 4.330 4.350 0.000 0.000 0.201 395 E C 0.357 176.950 176.600 -0.012 0.000 1.071 395 E CA 0.379 56.773 56.400 -0.010 0.000 0.880 395 E CB 0.313 30.010 29.700 -0.006 0.000 0.828 395 E HN 0.258 nan 8.360 nan 0.000 0.540 396 L N 0.580 121.792 121.223 -0.018 0.000 2.334 396 L HA 0.259 4.599 4.340 0.000 0.000 0.275 396 L C 1.059 177.917 176.870 -0.021 0.000 1.036 396 L CA -0.659 54.168 54.840 -0.022 0.000 0.807 396 L CB 0.655 42.693 42.059 -0.035 0.000 1.231 396 L HN -0.151 nan 8.230 nan 0.000 0.438 397 S N 0.932 116.622 115.700 -0.018 0.000 2.592 397 S HA 0.035 4.505 4.470 0.000 0.000 0.256 397 S C 0.795 175.383 174.600 -0.020 0.000 1.369 397 S CA -0.262 57.929 58.200 -0.016 0.000 0.984 397 S CB 0.672 63.865 63.200 -0.013 0.000 0.919 397 S HN 0.600 nan 8.310 nan 0.000 0.576 398 E N 0.073 120.263 120.200 -0.017 0.000 2.516 398 E HA -0.022 4.328 4.350 0.000 0.000 0.199 398 E C 1.486 178.075 176.600 -0.018 0.000 1.069 398 E CA 0.469 56.858 56.400 -0.018 0.000 0.876 398 E CB -0.164 29.527 29.700 -0.014 0.000 0.843 398 E HN 0.855 nan 8.360 nan 0.000 0.530 399 E N 0.649 120.839 120.200 -0.017 0.000 2.045 399 E HA -0.106 4.244 4.350 0.000 0.000 0.190 399 E C 1.160 177.746 176.600 -0.024 0.000 0.968 399 E CA 0.578 56.969 56.400 -0.016 0.000 0.813 399 E CB 0.305 29.998 29.700 -0.011 0.000 0.780 399 E HN 0.017 nan 8.360 nan 0.000 0.455 400 D N 0.910 121.293 120.400 -0.029 0.000 2.097 400 D HA -0.162 4.478 4.640 0.000 0.000 0.195 400 D C 1.719 177.980 176.300 -0.065 0.000 0.989 400 D CA 0.887 54.861 54.000 -0.043 0.000 0.827 400 D CB -0.220 40.557 40.800 -0.038 0.000 0.966 400 D HN 0.084 nan 8.370 nan 0.000 0.456 401 K N 0.011 120.378 120.400 -0.055 0.000 2.293 401 K HA -0.184 4.136 4.320 0.000 0.000 0.204 401 K C 1.917 178.480 176.600 -0.063 0.000 1.045 401 K CA 0.513 56.763 56.287 -0.062 0.000 0.933 401 K CB -0.039 32.436 32.500 -0.042 0.000 0.736 401 K HN 0.038 nan 8.250 nan 0.000 0.463 402 L N 0.222 121.416 121.223 -0.048 0.000 2.084 402 L HA -0.084 4.256 4.340 0.000 0.000 0.202 402 L C 2.189 179.033 176.870 -0.043 0.000 1.074 402 L CA 2.165 56.984 54.840 -0.035 0.000 0.757 402 L CB -0.977 41.071 42.059 -0.018 0.000 0.918 402 L HN 0.206 nan 8.230 nan 0.000 0.444 403 T N -3.649 110.876 114.554 -0.049 0.000 3.007 403 T HA -0.111 4.239 4.350 0.000 0.000 0.270 403 T C 1.910 176.542 174.700 -0.114 0.000 1.107 403 T CA 1.230 63.301 62.100 -0.048 0.000 1.118 403 T CB -0.921 67.932 68.868 -0.024 0.000 0.889 403 T HN 0.134 nan 8.240 nan 0.000 0.506 404 V N 2.081 121.873 119.914 -0.203 0.000 2.453 404 V HA -0.120 4.000 4.120 0.000 0.000 0.247 404 V C 3.080 179.023 176.094 -0.252 0.000 1.048 404 V CA 1.825 63.873 62.300 -0.421 0.000 1.049 404 V CB -0.369 31.192 31.823 -0.437 0.000 0.672 404 V HN 0.788 nan 8.190 nan 0.000 0.457 405 S N 0.603 116.231 115.700 -0.120 0.000 2.343 405 S HA -0.281 4.189 4.470 0.000 0.000 0.219 405 S C 2.104 176.709 174.600 0.008 0.000 1.033 405 S CA 1.753 59.930 58.200 -0.038 0.000 1.014 405 S CB -0.535 62.658 63.200 -0.011 0.000 0.915 405 S HN 0.588 nan 8.310 nan 0.000 0.435 406 R N 1.488 121.994 120.500 0.009 0.000 2.083 406 R HA 0.029 4.370 4.340 0.000 0.000 0.237 406 R C 2.849 179.175 176.300 0.044 0.000 1.137 406 R CA 1.416 57.534 56.100 0.030 0.000 0.951 406 R CB -0.957 29.360 30.300 0.029 0.000 0.851 406 R HN 0.606 nan 8.270 nan 0.000 0.434 407 A N 1.346 124.204 122.820 0.064 0.000 1.858 407 A HA -0.188 4.132 4.320 0.000 0.000 0.216 407 A C 2.084 179.805 177.584 0.227 0.000 1.190 407 A CA 1.413 53.555 52.037 0.176 0.000 0.617 407 A CB -0.478 18.715 19.000 0.322 0.000 0.827 407 A HN 0.229 nan 8.150 nan 0.000 0.443 408 R N -0.494 120.145 120.500 0.232 0.000 2.211 408 R HA -0.141 4.199 4.340 0.000 0.000 0.240 408 R C 2.079 178.468 176.300 0.149 0.000 1.144 408 R CA 1.672 57.914 56.100 0.236 0.000 0.992 408 R CB -0.209 30.196 30.300 0.176 0.000 0.869 408 R HN 0.533 nan 8.270 nan 0.000 0.462 409 K N 0.121 120.586 120.400 0.108 0.000 2.137 409 K HA 0.035 4.355 4.320 0.000 0.000 0.202 409 K C 1.970 178.520 176.600 -0.083 0.000 1.052 409 K CA 0.792 57.113 56.287 0.056 0.000 0.961 409 K CB 0.117 32.625 32.500 0.012 0.000 0.741 409 K HN 0.096 nan 8.250 nan 0.000 0.452 410 I N 1.418 121.984 120.570 -0.007 0.000 2.252 410 I HA -0.301 3.869 4.170 0.000 0.000 0.245 410 I C 2.291 178.537 176.117 0.215 0.000 1.102 410 I CA 1.261 62.651 61.300 0.149 0.000 1.385 410 I CB -0.268 37.866 38.000 0.224 0.000 1.064 410 I HN 0.222 nan 8.210 nan 0.000 0.414 411 Q N 0.456 120.331 119.800 0.125 0.000 2.096 411 Q HA -0.290 4.050 4.340 0.000 0.000 0.208 411 Q C 2.388 178.430 176.000 0.069 0.000 0.993 411 Q CA 1.923 57.764 55.803 0.063 0.000 0.862 411 Q CB -0.197 28.550 28.738 0.016 0.000 0.915 411 Q HN 0.420 nan 8.270 nan 0.000 0.416 412 R N -0.689 119.871 120.500 0.100 0.000 2.090 412 R HA -0.085 4.255 4.340 0.000 0.000 0.228 412 R C 1.899 178.358 176.300 0.264 0.000 1.110 412 R CA 0.920 57.102 56.100 0.137 0.000 0.973 412 R CB -0.174 30.255 30.300 0.215 0.000 0.869 412 R HN 0.173 nan 8.270 nan 0.000 0.440 413 F N 0.513 120.486 119.950 0.039 0.000 2.502 413 F HA 0.019 4.546 4.527 0.000 0.000 0.298 413 F C 1.219 177.128 175.800 0.182 0.000 1.111 413 F CA 0.834 58.814 58.000 -0.032 0.000 1.445 413 F CB 0.062 38.760 39.000 -0.503 0.000 1.081 413 F HN -0.055 nan 8.300 nan 0.000 0.558 414 L N -0.728 120.646 121.223 0.252 0.000 2.610 414 L HA 0.018 4.358 4.340 0.000 0.000 0.232 414 L C 1.393 178.285 176.870 0.037 0.000 1.149 414 L CA 0.139 55.063 54.840 0.140 0.000 0.872 414 L CB -0.538 41.566 42.059 0.075 0.000 0.992 414 L HN 0.034 nan 8.230 nan 0.000 0.447 415 S N -0.257 115.483 115.700 0.067 0.000 2.655 415 S HA 0.421 4.891 4.470 0.000 0.000 0.265 415 S C -0.363 174.254 174.600 0.028 0.000 1.240 415 S CA -0.288 57.962 58.200 0.083 0.000 0.986 415 S CB 1.137 64.492 63.200 0.258 0.000 0.985 415 S HN 0.315 nan 8.310 nan 0.000 0.562 416 Q N 0.567 120.357 119.800 -0.017 0.000 2.776 416 Q HA 0.328 4.668 4.340 0.000 0.000 0.248 416 Q C -3.097 172.731 176.000 -0.286 0.000 0.990 416 Q CA -1.211 54.517 55.803 -0.125 0.000 0.953 416 Q CB 1.737 30.383 28.738 -0.153 0.000 1.801 416 Q HN 0.456 nan 8.270 nan 0.000 0.448 417 P HA 0.376 nan 4.420 nan 0.000 0.294 417 P C -1.215 176.002 177.300 -0.137 0.000 1.294 417 P CA -0.066 62.949 63.100 -0.143 0.000 0.827 417 P CB 0.417 32.135 31.700 0.030 0.000 0.992 418 F N 0.841 120.834 119.950 0.072 0.000 2.397 418 F HA 0.269 4.796 4.527 0.000 0.000 0.331 418 F C 2.282 178.112 175.800 0.050 0.000 1.090 418 F CA -0.530 57.503 58.000 0.055 0.000 1.065 418 F CB 1.574 40.601 39.000 0.045 0.000 1.184 418 F HN 0.375 nan 8.300 nan 0.000 0.499 419 Q N 1.357 121.315 119.800 0.263 0.000 2.226 419 Q HA -0.122 4.218 4.340 0.000 0.000 0.204 419 Q C 1.084 177.158 176.000 0.124 0.000 0.975 419 Q CA 1.728 57.621 55.803 0.150 0.000 0.866 419 Q CB -0.049 28.752 28.738 0.105 0.000 0.915 419 Q HN 0.635 nan 8.270 nan 0.000 0.440 420 V N -1.264 118.729 119.914 0.133 0.000 3.573 420 V HA 0.269 4.389 4.120 0.000 0.000 0.270 420 V C 1.243 177.393 176.094 0.093 0.000 1.221 420 V CA 0.683 63.031 62.300 0.079 0.000 1.163 420 V CB -0.280 31.560 31.823 0.027 0.000 0.847 420 V HN 0.386 nan 8.190 nan 0.000 0.468 421 A N -0.486 122.418 122.820 0.139 0.000 2.676 421 A HA 0.463 4.784 4.320 0.000 0.000 0.297 421 A C 1.351 179.024 177.584 0.148 0.000 1.132 421 A CA -0.202 51.917 52.037 0.137 0.000 0.972 421 A CB 0.092 19.163 19.000 0.119 0.000 1.197 421 A HN 0.424 nan 8.150 nan 0.000 0.524 422 E N -0.496 119.782 120.200 0.130 0.000 2.127 422 E HA -0.052 4.298 4.350 0.000 0.000 0.191 422 E C 1.499 178.164 176.600 0.108 0.000 0.964 422 E CA 1.091 57.559 56.400 0.113 0.000 0.832 422 E CB 0.078 29.831 29.700 0.089 0.000 0.790 422 E HN 0.445 nan 8.360 nan 0.000 0.465 423 V N 0.230 120.211 119.914 0.112 0.000 3.284 423 V HA -0.162 3.958 4.120 0.000 0.000 0.273 423 V C 1.328 177.532 176.094 0.182 0.000 1.178 423 V CA 1.345 63.712 62.300 0.112 0.000 1.177 423 V CB -0.679 31.201 31.823 0.094 0.000 0.793 423 V HN 0.205 nan 8.190 nan 0.000 0.536 424 F N 0.579 120.530 119.950 0.002 0.000 2.764 424 F HA 0.100 4.627 4.527 0.000 0.000 0.342 424 F C 2.151 177.937 175.800 -0.023 0.000 0.873 424 F CA 0.986 58.978 58.000 -0.013 0.000 1.086 424 F CB 0.325 39.310 39.000 -0.024 0.000 0.937 424 F HN 0.119 nan 8.300 nan 0.000 0.623 425 T N -2.886 111.715 114.554 0.078 0.000 3.057 425 T HA 0.380 4.730 4.350 0.000 0.000 0.254 425 T C 1.888 176.618 174.700 0.050 0.000 1.094 425 T CA 0.858 62.934 62.100 -0.040 0.000 1.088 425 T CB 0.226 69.028 68.868 -0.110 0.000 0.934 425 T HN 0.598 nan 8.240 nan 0.000 0.497 426 G N 1.581 110.424 108.800 0.071 0.000 2.708 426 G HA2 -0.325 3.635 3.960 0.000 0.000 0.229 426 G HA3 -0.325 3.635 3.960 0.000 0.000 0.229 426 G C 0.033 175.017 174.900 0.140 0.000 1.236 426 G CA 0.246 45.400 45.100 0.089 0.000 0.749 426 G HN 0.749 nan 8.290 nan 0.000 0.515 427 H N 1.601 120.661 119.070 -0.016 0.000 3.214 427 H HA 0.254 4.810 4.556 0.000 0.000 0.291 427 H C 1.215 176.546 175.328 0.006 0.000 0.926 427 H CA 0.334 56.374 56.048 -0.013 0.000 1.409 427 H CB 0.164 29.913 29.762 -0.023 0.000 1.406 427 H HN 0.390 nan 8.280 nan 0.000 0.561 428 L N 2.739 123.998 121.223 0.060 0.000 2.483 428 L HA 0.191 4.531 4.340 0.000 0.000 0.276 428 L C 0.978 177.895 176.870 0.077 0.000 1.213 428 L CA 0.403 55.275 54.840 0.053 0.000 0.843 428 L CB 0.384 42.452 42.059 0.015 0.000 1.107 428 L HN 0.793 nan 8.230 nan 0.000 0.487 429 G N 4.307 113.158 108.800 0.084 0.000 2.343 429 G HA2 0.372 4.332 3.960 0.000 0.000 0.319 429 G HA3 0.372 4.332 3.960 0.000 0.000 0.319 429 G C -0.726 174.232 174.900 0.097 0.000 1.126 429 G CA -0.582 44.583 45.100 0.108 0.000 0.889 429 G HN 0.503 nan 8.290 nan 0.000 0.457 430 K N 2.050 122.511 120.400 0.101 0.000 2.240 430 K HA 0.286 4.606 4.320 0.000 0.000 0.271 430 K C -0.950 175.716 176.600 0.109 0.000 1.018 430 K CA -0.959 55.380 56.287 0.087 0.000 0.874 430 K CB 2.364 34.906 32.500 0.069 0.000 1.098 430 K HN 0.337 nan 8.250 nan 0.000 0.458 431 L N 3.948 125.220 121.223 0.081 0.000 2.277 431 L HA 0.273 4.613 4.340 0.000 0.000 0.284 431 L C -1.017 175.883 176.870 0.050 0.000 1.028 431 L CA -0.683 54.199 54.840 0.070 0.000 0.835 431 L CB 1.188 43.273 42.059 0.042 0.000 1.215 431 L HN 0.264 nan 8.230 nan 0.000 0.425 432 V N 8.173 128.119 119.914 0.053 0.000 2.334 432 V HA 0.400 4.520 4.120 0.000 0.000 0.267 432 V C -1.817 174.303 176.094 0.043 0.000 1.040 432 V CA -1.387 60.941 62.300 0.047 0.000 0.866 432 V CB 0.651 32.496 31.823 0.036 0.000 1.019 432 V HN 0.708 nan 8.190 nan 0.000 0.468 433 P HA 0.024 nan 4.420 nan 0.000 0.270 433 P C 0.803 178.135 177.300 0.052 0.000 1.227 433 P CA -0.345 62.780 63.100 0.042 0.000 0.788 433 P CB 0.728 32.451 31.700 0.039 0.000 0.926 434 L N 2.452 123.711 121.223 0.061 0.000 1.955 434 L HA -0.185 4.155 4.340 0.000 0.000 0.213 434 L C 2.199 179.095 176.870 0.043 0.000 1.072 434 L CA 2.060 56.936 54.840 0.060 0.000 0.755 434 L CB -1.417 40.695 42.059 0.088 0.000 0.888 434 L HN 0.313 nan 8.230 nan 0.000 0.432 435 K N -0.750 119.680 120.400 0.050 0.000 2.077 435 K HA -0.250 4.070 4.320 0.000 0.000 0.213 435 K C 2.050 178.681 176.600 0.052 0.000 1.051 435 K CA 1.994 58.309 56.287 0.045 0.000 0.929 435 K CB -0.148 32.382 32.500 0.049 0.000 0.715 435 K HN 0.438 nan 8.250 nan 0.000 0.451 436 E N -0.439 119.799 120.200 0.063 0.000 2.085 436 E HA -0.157 4.193 4.350 0.000 0.000 0.194 436 E C 1.925 178.595 176.600 0.116 0.000 0.994 436 E CA 1.759 58.209 56.400 0.083 0.000 0.801 436 E CB -0.117 29.633 29.700 0.082 0.000 0.743 436 E HN 0.438 nan 8.360 nan 0.000 0.453 437 T N 1.201 115.818 114.554 0.105 0.000 2.951 437 T HA -0.027 4.323 4.350 0.000 0.000 0.268 437 T C 2.088 176.911 174.700 0.205 0.000 1.073 437 T CA 0.665 62.859 62.100 0.157 0.000 1.134 437 T CB -0.091 68.833 68.868 0.094 0.000 0.884 437 T HN 0.143 nan 8.240 nan 0.000 0.479 438 I N 1.588 122.202 120.570 0.073 0.000 2.333 438 I HA -0.084 4.086 4.170 0.000 0.000 0.246 438 I C 2.611 178.789 176.117 0.101 0.000 1.106 438 I CA 1.190 62.497 61.300 0.011 0.000 1.411 438 I CB -0.421 37.514 38.000 -0.108 0.000 1.082 438 I HN 0.254 nan 8.210 nan 0.000 0.420 439 K N 1.922 122.381 120.400 0.098 0.000 2.116 439 K HA -0.004 4.316 4.320 0.000 0.000 0.203 439 K C 2.152 178.818 176.600 0.110 0.000 1.052 439 K CA 1.250 57.595 56.287 0.096 0.000 0.952 439 K CB -0.590 31.955 32.500 0.074 0.000 0.729 439 K HN 0.208 nan 8.250 nan 0.000 0.446 440 G N 1.296 110.174 108.800 0.130 0.000 2.599 440 G HA2 -0.291 3.669 3.960 0.000 0.000 0.219 440 G HA3 -0.291 3.669 3.960 0.000 0.000 0.219 440 G C 1.159 176.016 174.900 -0.071 0.000 1.193 440 G CA 1.296 46.430 45.100 0.056 0.000 0.778 440 G HN 0.356 nan 8.290 nan 0.000 0.589 441 F N 0.475 120.514 119.950 0.149 0.000 2.367 441 F HA 0.094 4.621 4.527 -0.000 0.000 0.298 441 F C 2.846 178.666 175.800 0.032 0.000 1.094 441 F CA 1.186 59.233 58.000 0.077 0.000 1.409 441 F CB -0.219 38.817 39.000 0.060 0.000 1.064 441 F HN 0.177 nan 8.300 nan 0.000 0.528 442 Q N 0.282 120.194 119.800 0.188 0.000 2.181 442 Q HA -0.248 4.092 4.340 0.000 0.000 0.205 442 Q C 1.905 177.961 176.000 0.094 0.000 0.980 442 Q CA 1.791 57.663 55.803 0.115 0.000 0.862 442 Q CB 0.058 28.851 28.738 0.091 0.000 0.905 442 Q HN 0.538 nan 8.270 nan 0.000 0.429 443 Q N -0.109 119.754 119.800 0.104 0.000 1.940 443 Q HA -0.041 4.299 4.340 0.000 0.000 0.200 443 Q C 2.189 178.283 176.000 0.155 0.000 0.977 443 Q CA 1.053 56.939 55.803 0.138 0.000 0.841 443 Q CB -0.189 28.708 28.738 0.265 0.000 0.901 443 Q HN 0.350 nan 8.270 nan 0.000 0.446 444 I N 1.430 122.097 120.570 0.162 0.000 2.244 444 I HA -0.413 3.757 4.170 0.000 0.000 0.252 444 I C 2.321 178.474 176.117 0.059 0.000 1.062 444 I CA 1.323 62.655 61.300 0.053 0.000 1.342 444 I CB -0.549 37.267 38.000 -0.306 0.000 1.031 444 I HN 0.262 nan 8.210 nan 0.000 0.433 445 L N 0.431 121.696 121.223 0.070 0.000 1.961 445 L HA -0.150 4.190 4.340 0.000 0.000 0.210 445 L C 2.239 179.139 176.870 0.051 0.000 1.072 445 L CA 1.455 56.335 54.840 0.065 0.000 0.749 445 L CB -0.553 41.550 42.059 0.073 0.000 0.889 445 L HN 0.264 nan 8.230 nan 0.000 0.432 446 A N 0.002 122.850 122.820 0.047 0.000 2.305 446 A HA 0.278 4.598 4.320 0.000 0.000 0.236 446 A C 1.486 179.084 177.584 0.023 0.000 1.392 446 A CA 0.628 52.682 52.037 0.029 0.000 1.205 446 A CB -1.316 17.696 19.000 0.020 0.000 0.881 446 A HN 0.693 nan 8.150 nan 0.000 0.558 447 G N -0.422 108.405 108.800 0.044 0.000 2.186 447 G HA2 -0.325 3.635 3.960 0.000 0.000 0.266 447 G HA3 -0.325 3.635 3.960 0.000 0.000 0.266 447 G C 0.477 175.387 174.900 0.016 0.000 0.982 447 G CA 0.620 45.749 45.100 0.047 0.000 0.670 447 G HN 0.688 nan 8.290 nan 0.000 0.533 448 E N -0.921 119.251 120.200 -0.048 0.000 2.499 448 E HA 0.014 4.364 4.350 0.000 0.000 0.207 448 E C 0.447 176.664 176.600 -0.639 0.000 1.175 448 E CA 0.646 56.858 56.400 -0.313 0.000 0.932 448 E CB -0.160 29.290 29.700 -0.417 0.000 0.906 448 E HN 0.845 nan 8.360 nan 0.000 0.556 449 Y N -2.214 118.137 120.300 0.085 0.000 2.957 449 Y HA 0.065 4.615 4.550 0.000 0.000 0.274 449 Y C 0.788 176.783 175.900 0.159 0.000 1.065 449 Y CA -0.578 57.612 58.100 0.151 0.000 1.273 449 Y CB 0.531 39.184 38.460 0.322 0.000 1.358 449 Y HN -0.059 nan 8.280 nan 0.000 0.585 450 D N -0.081 120.442 120.400 0.206 0.000 2.190 450 D HA -0.216 4.424 4.640 0.000 0.000 0.200 450 D C 1.895 178.266 176.300 0.119 0.000 0.992 450 D CA 1.605 55.691 54.000 0.143 0.000 0.854 450 D CB -0.076 40.772 40.800 0.080 0.000 0.936 450 D HN 0.470 nan 8.370 nan 0.000 0.462 451 H N 0.463 119.564 119.070 0.052 0.000 2.256 451 H HA 0.022 4.579 4.556 0.000 0.000 0.299 451 H C 0.985 176.332 175.328 0.032 0.000 1.071 451 H CA 0.541 56.604 56.048 0.024 0.000 1.280 451 H CB -0.410 29.349 29.762 -0.005 0.000 1.370 451 H HN 0.094 nan 8.280 nan 0.000 0.490 452 L N 1.775 123.133 121.223 0.225 0.000 2.535 452 L HA -0.143 4.197 4.340 0.000 0.000 0.301 452 L C -1.049 175.832 176.870 0.017 0.000 1.275 452 L CA -0.796 54.097 54.840 0.089 0.000 0.843 452 L CB -0.052 42.035 42.059 0.046 0.000 1.094 452 L HN 0.324 nan 8.230 nan 0.000 0.532 453 P HA -0.079 nan 4.420 nan 0.000 0.219 453 P C 0.244 177.537 177.300 -0.012 0.000 1.231 453 P CA 0.590 63.660 63.100 -0.050 0.000 0.673 453 P CB 0.405 32.059 31.700 -0.077 0.000 0.768 454 E N -2.294 117.896 120.200 -0.017 0.000 3.875 454 E HA 0.003 4.353 4.350 0.000 0.000 0.239 454 E C 1.449 178.102 176.600 0.087 0.000 1.293 454 E CA -0.251 56.214 56.400 0.108 0.000 1.646 454 E CB -0.509 29.258 29.700 0.112 0.000 1.954 454 E HN -0.087 nan 8.360 nan 0.000 0.686 455 Q N 0.504 120.355 119.800 0.085 0.000 2.624 455 Q HA 0.007 4.347 4.340 0.000 0.000 0.219 455 Q C 0.740 176.780 176.000 0.067 0.000 0.973 455 Q CA 0.846 56.730 55.803 0.135 0.000 0.983 455 Q CB 0.519 29.338 28.738 0.136 0.000 0.992 455 Q HN 0.349 nan 8.270 nan 0.000 0.574 456 A N -1.467 121.309 122.820 -0.073 0.000 2.390 456 A HA 0.194 4.514 4.320 0.000 0.000 0.232 456 A C 1.267 178.733 177.584 -0.196 0.000 1.233 456 A CA -0.337 51.603 52.037 -0.162 0.000 0.907 456 A CB 0.012 18.852 19.000 -0.267 0.000 0.967 456 A HN 0.285 nan 8.150 nan 0.000 0.512 457 F N -1.734 118.229 119.950 0.022 0.000 2.569 457 F HA 0.124 4.651 4.527 -0.000 0.000 0.295 457 F C 0.807 176.729 175.800 0.203 0.000 1.115 457 F CA -0.175 57.839 58.000 0.024 0.000 1.450 457 F CB 0.234 39.219 39.000 -0.025 0.000 1.107 457 F HN 0.324 nan 8.300 nan 0.000 0.563 458 Y N 2.308 122.735 120.300 0.212 0.000 2.531 458 Y HA 0.232 4.782 4.550 0.000 0.000 0.347 458 Y C 0.320 176.299 175.900 0.131 0.000 1.024 458 Y CA -1.346 56.846 58.100 0.152 0.000 1.306 458 Y CB -0.214 38.307 38.460 0.102 0.000 1.149 458 Y HN 0.116 nan 8.280 nan 0.000 0.527 459 M N 5.545 125.310 119.600 0.276 0.000 2.665 459 M HA -0.149 4.331 4.480 0.000 0.000 0.217 459 M C -1.192 175.148 176.300 0.067 0.000 0.487 459 M CA 0.787 56.112 55.300 0.041 0.000 0.657 459 M CB -2.133 30.285 32.600 -0.303 0.000 2.412 459 M HN 0.487 nan 8.290 nan 0.000 0.767 460 V N -2.656 117.346 119.914 0.147 0.000 3.126 460 V HA 1.095 5.215 4.120 0.000 0.000 0.314 460 V C 0.839 177.020 176.094 0.145 0.000 1.138 460 V CA 0.254 62.638 62.300 0.140 0.000 1.034 460 V CB 1.843 33.771 31.823 0.175 0.000 1.075 460 V HN 0.454 nan 8.190 nan 0.000 0.442 461 G N 1.122 109.997 108.800 0.125 0.000 2.948 461 G HA2 0.385 4.346 3.960 0.000 0.000 0.174 461 G HA3 0.385 4.346 3.960 0.000 0.000 0.174 461 G C -2.238 172.772 174.900 0.182 0.000 1.839 461 G CA 0.057 45.222 45.100 0.109 0.000 0.908 461 G HN 0.729 nan 8.290 nan 0.000 0.419 462 P HA 0.194 nan 4.420 nan 0.000 0.286 462 P C 0.919 178.385 177.300 0.276 0.000 1.293 462 P CA -0.710 62.529 63.100 0.232 0.000 0.770 462 P CB 0.677 32.452 31.700 0.124 0.000 1.206 463 I N 0.119 120.773 120.570 0.140 0.000 2.315 463 I HA -0.167 4.003 4.170 0.000 0.000 0.248 463 I C 1.332 177.373 176.117 -0.128 0.000 1.117 463 I CA 1.612 62.775 61.300 -0.227 0.000 1.404 463 I CB -1.082 36.725 38.000 -0.321 0.000 1.071 463 I HN 0.265 nan 8.210 nan 0.000 0.419 464 E N 0.301 120.492 120.200 -0.016 0.000 2.533 464 E HA -0.119 4.231 4.350 0.000 0.000 0.201 464 E C 1.644 178.240 176.600 -0.006 0.000 1.097 464 E CA 0.422 56.823 56.400 0.002 0.000 0.887 464 E CB -0.139 29.576 29.700 0.026 0.000 0.855 464 E HN 0.589 nan 8.360 nan 0.000 0.540 465 E N -0.086 120.112 120.200 -0.003 0.000 2.307 465 E HA 0.085 4.435 4.350 0.000 0.000 0.195 465 E C 1.844 178.417 176.600 -0.046 0.000 0.975 465 E CA 0.490 56.887 56.400 -0.004 0.000 0.878 465 E CB 0.231 29.952 29.700 0.036 0.000 0.845 465 E HN 0.273 nan 8.360 nan 0.000 0.488 466 A N 0.911 123.677 122.820 -0.090 0.000 1.975 466 A HA -0.023 4.297 4.320 0.000 0.000 0.215 466 A C 2.336 179.759 177.584 -0.267 0.000 1.170 466 A CA 0.432 52.349 52.037 -0.200 0.000 0.656 466 A CB -0.320 18.541 19.000 -0.232 0.000 0.821 466 A HN 0.080 nan 8.150 nan 0.000 0.449 467 V N -0.084 119.728 119.914 -0.171 0.000 2.307 467 V HA -0.154 3.966 4.120 0.000 0.000 0.245 467 V C 2.524 178.579 176.094 -0.066 0.000 1.045 467 V CA 1.886 64.142 62.300 -0.073 0.000 1.024 467 V CB -0.569 31.281 31.823 0.046 0.000 0.651 467 V HN 0.542 nan 8.190 nan 0.000 0.449 468 A N -1.236 121.551 122.820 -0.054 0.000 2.346 468 A HA 0.046 4.366 4.320 0.000 0.000 0.242 468 A C 1.910 179.459 177.584 -0.059 0.000 1.323 468 A CA 0.802 52.812 52.037 -0.045 0.000 0.940 468 A CB -0.320 18.663 19.000 -0.029 0.000 0.943 468 A HN 0.519 nan 8.150 nan 0.000 0.501 469 K N -1.504 118.844 120.400 -0.086 0.000 2.511 469 K HA 0.304 4.624 4.320 0.000 0.000 0.206 469 K C 1.735 178.277 176.600 -0.097 0.000 1.333 469 K CA 0.828 57.062 56.287 -0.089 0.000 0.957 469 K CB 0.159 32.600 32.500 -0.099 0.000 1.172 469 K HN 0.285 nan 8.250 nan 0.000 0.547 470 A N 1.676 124.424 122.820 -0.120 0.000 1.897 470 A HA -0.102 4.218 4.320 0.000 0.000 0.215 470 A C 1.398 178.944 177.584 -0.063 0.000 1.181 470 A CA 1.666 53.639 52.037 -0.107 0.000 0.620 470 A CB -0.401 18.517 19.000 -0.136 0.000 0.821 470 A HN 0.297 nan 8.150 nan 0.000 0.443 471 D N 0.512 120.880 120.400 -0.053 0.000 2.104 471 D HA -0.115 4.525 4.640 0.000 0.000 0.194 471 D C 1.044 177.323 176.300 -0.035 0.000 0.994 471 D CA 1.028 55.006 54.000 -0.036 0.000 0.830 471 D CB -0.257 40.524 40.800 -0.032 0.000 0.959 471 D HN 0.165 nan 8.370 nan 0.000 0.452 472 K N 0.488 120.862 120.400 -0.042 0.000 2.773 472 K HA 0.063 4.383 4.320 0.000 0.000 0.222 472 K C 0.342 176.919 176.600 -0.039 0.000 0.985 472 K CA 0.083 56.346 56.287 -0.040 0.000 1.126 472 K CB -0.437 32.035 32.500 -0.046 0.000 0.919 472 K HN 0.286 nan 8.250 nan 0.000 0.487 473 L N 0.461 121.662 121.223 -0.037 0.000 3.100 473 L HA 0.255 4.595 4.340 0.000 0.000 0.259 473 L C 0.458 177.314 176.870 -0.022 0.000 1.316 473 L CA -0.457 54.364 54.840 -0.031 0.000 0.992 473 L CB 0.570 42.608 42.059 -0.035 0.000 1.390 473 L HN -0.049 nan 8.230 nan 0.000 0.550 474 A N 0.000 122.808 122.820 -0.021 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.027 52.037 -0.016 0.000 0.836 474 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486