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 2jj2_1_M 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 0.000 174.862 174.700 0.269 0.000 1.109 9 T CA 0.000 62.199 62.100 0.165 0.000 1.349 9 T CB 0.000 68.935 68.868 0.111 0.000 0.612 10 T N 0.917 115.590 114.554 0.198 0.000 2.829 10 T HA 0.687 5.038 4.350 0.001 0.000 0.280 10 T C -0.301 174.241 174.700 -0.262 0.000 0.999 10 T CA 0.110 62.237 62.100 0.046 0.000 0.983 10 T CB 1.125 69.987 68.868 -0.010 0.000 0.968 10 T HN 0.854 nan 8.240 nan 0.000 0.446 11 G N 2.882 111.236 108.800 -0.743 0.000 2.568 11 G HA2 0.752 4.713 3.960 0.001 0.000 0.313 11 G HA3 0.752 4.713 3.960 0.001 0.000 0.313 11 G C -1.379 173.168 174.900 -0.588 0.000 1.227 11 G CA -0.915 43.420 45.100 -1.274 0.000 0.979 11 G HN 0.743 nan 8.290 nan 0.000 0.486 12 R N -0.157 120.072 120.500 -0.452 0.000 2.561 12 R HA 0.363 4.704 4.340 0.001 0.000 0.297 12 R C -0.504 175.689 176.300 -0.178 0.000 0.969 12 R CA -0.811 55.146 56.100 -0.239 0.000 0.879 12 R CB 2.495 32.697 30.300 -0.163 0.000 1.178 12 R HN 0.396 nan 8.270 nan 0.000 0.445 13 I N 3.283 123.781 120.570 -0.120 0.000 2.741 13 I HA -0.136 4.034 4.170 0.001 0.000 0.288 13 I C 1.557 177.639 176.117 -0.058 0.000 1.192 13 I CA 0.270 61.527 61.300 -0.072 0.000 1.426 13 I CB 0.693 38.664 38.000 -0.047 0.000 1.367 13 I HN 0.593 nan 8.210 nan 0.000 0.563 14 V N 3.158 123.046 119.914 -0.043 0.000 3.455 14 V HA 0.561 4.681 4.120 0.001 0.000 0.250 14 V C 0.611 176.694 176.094 -0.019 0.000 1.230 14 V CA 0.448 62.729 62.300 -0.031 0.000 1.105 14 V CB 0.188 31.994 31.823 -0.028 0.000 0.850 14 V HN 0.716 nan 8.190 nan 0.000 0.461 15 A N -0.067 122.745 122.820 -0.013 0.000 2.520 15 A HA 0.830 5.150 4.320 0.001 0.000 0.298 15 A C -1.227 176.354 177.584 -0.005 0.000 1.051 15 A CA -0.422 51.610 52.037 -0.008 0.000 0.690 15 A CB 2.293 21.292 19.000 -0.003 0.000 1.281 15 A HN 0.554 nan 8.150 nan 0.000 0.402 16 V N 2.303 122.214 119.914 -0.005 0.000 2.569 16 V HA 0.622 4.743 4.120 0.001 0.000 0.301 16 V C -1.237 174.855 176.094 -0.003 0.000 1.044 16 V CA -0.259 62.039 62.300 -0.003 0.000 0.874 16 V CB 1.466 33.286 31.823 -0.005 0.000 1.002 16 V HN 0.858 nan 8.190 nan 0.000 0.424 17 I N 4.858 125.427 120.570 -0.002 0.000 2.531 17 I HA 0.783 4.953 4.170 0.001 0.000 0.283 17 I C 0.552 176.667 176.117 -0.004 0.000 1.083 17 I CA 1.154 62.453 61.300 -0.003 0.000 1.071 17 I CB 0.939 38.938 38.000 -0.003 0.000 1.210 17 I HN 0.938 nan 8.210 nan 0.000 0.450 18 G N 5.856 114.653 108.800 -0.004 0.000 2.622 18 G HA2 -0.302 3.659 3.960 0.001 0.000 0.307 18 G HA3 -0.302 3.659 3.960 0.001 0.000 0.307 18 G C 0.963 175.861 174.900 -0.004 0.000 1.226 18 G CA 0.645 45.742 45.100 -0.005 0.000 0.997 18 G HN 1.578 nan 8.290 nan 0.000 0.551 19 A N -0.841 121.975 122.820 -0.006 0.000 2.168 19 A HA 0.487 4.808 4.320 0.001 0.000 0.215 19 A C 1.221 178.806 177.584 0.001 0.000 1.152 19 A CA 1.896 53.931 52.037 -0.004 0.000 0.716 19 A CB -0.079 18.915 19.000 -0.010 0.000 0.794 19 A HN 1.389 nan 8.150 nan 0.000 0.465 20 V N 1.159 121.073 119.914 0.000 0.000 2.383 20 V HA 0.374 4.495 4.120 0.001 0.000 0.275 20 V C -0.645 175.454 176.094 0.008 0.000 1.036 20 V CA -0.294 62.009 62.300 0.005 0.000 0.889 20 V CB 1.301 33.125 31.823 0.002 0.000 0.985 20 V HN 0.100 nan 8.190 nan 0.000 0.459 21 V N 4.297 124.220 119.914 0.015 0.000 2.483 21 V HA 0.450 4.571 4.120 0.001 0.000 0.297 21 V C -0.731 175.378 176.094 0.025 0.000 1.027 21 V CA -0.873 61.436 62.300 0.015 0.000 0.855 21 V CB 2.008 33.841 31.823 0.016 0.000 0.995 21 V HN 0.765 nan 8.190 nan 0.000 0.424 22 D N 3.273 123.684 120.400 0.018 0.000 2.210 22 D HA 0.593 5.233 4.640 0.001 0.000 0.249 22 D C -0.453 175.858 176.300 0.018 0.000 1.078 22 D CA 0.037 54.052 54.000 0.025 0.000 0.875 22 D CB 2.097 42.907 40.800 0.016 0.000 1.175 22 D HN 0.291 nan 8.370 nan 0.000 0.440 23 V N 2.174 122.115 119.914 0.044 0.000 2.638 23 V HA 0.310 4.430 4.120 0.001 0.000 0.306 23 V C -0.209 175.902 176.094 0.029 0.000 1.052 23 V CA -0.960 61.346 62.300 0.010 0.000 0.885 23 V CB 1.866 33.730 31.823 0.068 0.000 0.999 23 V HN 0.394 nan 8.190 nan 0.000 0.424 24 Q N 2.842 122.590 119.800 -0.086 0.000 2.257 24 Q HA 0.628 4.969 4.340 0.001 0.000 0.255 24 Q C -1.839 174.056 176.000 -0.176 0.000 0.920 24 Q CA -0.386 55.390 55.803 -0.046 0.000 0.927 24 Q CB 1.227 29.934 28.738 -0.052 0.000 1.229 24 Q HN 0.626 nan 8.270 nan 0.000 0.433 25 F N 2.415 122.333 119.950 -0.053 0.000 2.469 25 F HA 0.240 4.767 4.527 0.001 0.000 0.332 25 F C 0.492 176.265 175.800 -0.044 0.000 1.103 25 F CA -0.658 57.313 58.000 -0.048 0.000 0.979 25 F CB 1.822 40.786 39.000 -0.060 0.000 1.137 25 F HN 0.657 nan 8.300 nan 0.000 0.463 26 D N 1.089 121.555 120.400 0.111 0.000 2.162 26 D HA -0.040 4.600 4.640 0.001 0.000 0.205 26 D C 1.556 177.896 176.300 0.065 0.000 0.964 26 D CA 1.312 55.347 54.000 0.058 0.000 0.847 26 D CB 0.318 41.129 40.800 0.018 0.000 0.988 26 D HN 0.619 nan 8.370 nan 0.000 0.480 27 E N -0.560 119.693 120.200 0.090 0.000 2.184 27 E HA 0.318 4.668 4.350 0.001 0.000 0.194 27 E C 0.732 177.357 176.600 0.041 0.000 0.978 27 E CA 0.191 56.624 56.400 0.055 0.000 0.998 27 E CB 0.120 29.847 29.700 0.045 0.000 1.240 27 E HN 0.067 nan 8.360 nan 0.000 0.492 28 G N 0.814 109.640 108.800 0.043 0.000 2.338 28 G HA2 0.460 4.420 3.960 0.001 0.000 0.298 28 G HA3 0.460 4.420 3.960 0.001 0.000 0.298 28 G C -1.230 173.576 174.900 -0.156 0.000 1.140 28 G CA -0.373 44.705 45.100 -0.037 0.000 0.860 28 G HN 0.074 nan 8.290 nan 0.000 0.470 29 L N 4.717 125.816 121.223 -0.207 0.000 2.264 29 L HA 0.451 4.792 4.340 0.001 0.000 0.289 29 L C -1.786 174.865 176.870 -0.365 0.000 1.044 29 L CA -2.029 52.584 54.840 -0.378 0.000 0.807 29 L CB 1.596 43.462 42.059 -0.322 0.000 1.192 29 L HN 0.324 nan 8.230 nan 0.000 0.425 30 P HA 0.244 nan 4.420 nan 0.000 0.276 30 P C -2.695 174.596 177.300 -0.015 0.000 1.235 30 P CA -1.352 61.569 63.100 -0.299 0.000 0.772 30 P CB 0.049 31.507 31.700 -0.403 0.000 0.871 31 P HA 0.066 nan 4.420 nan 0.000 0.269 31 P C 0.506 177.801 177.300 -0.009 0.000 1.217 31 P CA 0.085 63.200 63.100 0.025 0.000 0.783 31 P CB 0.614 32.290 31.700 -0.040 0.000 0.898 32 I N 2.484 122.982 120.570 -0.120 0.000 2.775 32 I HA -0.155 4.015 4.170 0.001 0.000 0.290 32 I C 1.601 177.641 176.117 -0.129 0.000 1.203 32 I CA 0.722 61.946 61.300 -0.127 0.000 1.433 32 I CB -0.361 37.522 38.000 -0.194 0.000 1.354 32 I HN 0.454 nan 8.210 nan 0.000 0.579 33 L N 2.137 123.275 121.223 -0.140 0.000 3.853 33 L HA -0.236 4.104 4.340 0.001 0.000 0.416 33 L C 0.139 176.947 176.870 -0.104 0.000 0.766 33 L CA 0.075 54.782 54.840 -0.221 0.000 2.383 33 L CB -1.480 40.374 42.059 -0.343 0.000 1.276 33 L HN 0.679 nan 8.230 nan 0.000 0.597 34 N N 1.240 119.906 118.700 -0.056 0.000 2.518 34 N HA 0.486 5.226 4.740 0.001 0.000 0.266 34 N C 0.279 175.793 175.510 0.005 0.000 1.196 34 N CA 0.883 53.919 53.050 -0.023 0.000 0.947 34 N CB 0.967 39.431 38.487 -0.038 0.000 1.098 34 N HN 0.295 nan 8.380 nan 0.000 0.450 35 A N 2.832 125.665 122.820 0.022 0.000 2.320 35 A HA 0.479 4.800 4.320 0.001 0.000 0.287 35 A C -0.333 177.274 177.584 0.038 0.000 1.181 35 A CA -0.433 51.627 52.037 0.038 0.000 0.831 35 A CB -0.123 18.902 19.000 0.042 0.000 1.102 35 A HN 0.636 nan 8.150 nan 0.000 0.513 36 L N 2.143 123.400 121.223 0.057 0.000 2.334 36 L HA 0.522 4.862 4.340 0.001 0.000 0.273 36 L C -0.172 176.736 176.870 0.064 0.000 1.013 36 L CA -0.774 54.116 54.840 0.083 0.000 0.816 36 L CB 1.626 43.767 42.059 0.137 0.000 1.278 36 L HN 0.581 nan 8.230 nan 0.000 0.431 37 E N 2.365 122.602 120.200 0.061 0.000 2.129 37 E HA 0.296 4.646 4.350 0.001 0.000 0.268 37 E C -0.854 175.765 176.600 0.032 0.000 0.900 37 E CA -0.611 55.812 56.400 0.038 0.000 0.755 37 E CB 2.500 32.216 29.700 0.027 0.000 1.117 37 E HN 0.202 nan 8.360 nan 0.000 0.410 38 V N 4.158 124.086 119.914 0.022 0.000 2.508 38 V HA -0.018 4.102 4.120 0.001 0.000 0.281 38 V C 0.616 176.711 176.094 0.002 0.000 1.041 38 V CA -0.259 62.046 62.300 0.008 0.000 1.016 38 V CB 0.743 32.570 31.823 0.006 0.000 0.984 38 V HN 0.475 nan 8.190 nan 0.000 0.478 39 Q N 2.534 122.330 119.800 -0.007 0.000 2.260 39 Q HA 0.462 4.802 4.340 0.001 0.000 0.242 39 Q C 1.140 177.133 176.000 -0.011 0.000 0.932 39 Q CA 0.451 56.248 55.803 -0.009 0.000 0.891 39 Q CB 1.212 29.942 28.738 -0.014 0.000 1.222 39 Q HN 1.136 nan 8.270 nan 0.000 0.453 40 G N 1.593 110.388 108.800 -0.009 0.000 2.149 40 G HA2 -0.210 3.751 3.960 0.001 0.000 0.235 40 G HA3 -0.210 3.751 3.960 0.001 0.000 0.235 40 G C -0.197 174.699 174.900 -0.006 0.000 1.018 40 G CA -0.132 44.962 45.100 -0.009 0.000 0.728 40 G HN 0.332 nan 8.290 nan 0.000 0.508 41 R N -0.474 120.024 120.500 -0.004 0.000 2.670 41 R HA 0.463 4.803 4.340 0.001 0.000 0.289 41 R C 0.859 177.159 176.300 -0.000 0.000 0.965 41 R CA -0.729 55.370 56.100 -0.002 0.000 0.899 41 R CB 1.259 31.559 30.300 0.000 0.000 1.173 41 R HN 0.321 nan 8.270 nan 0.000 0.456 42 E N 0.589 120.789 120.200 0.000 0.000 2.106 42 E HA -0.083 4.268 4.350 0.001 0.000 0.192 42 E C 0.287 176.889 176.600 0.002 0.000 0.984 42 E CA 1.376 57.776 56.400 0.001 0.000 0.806 42 E CB 0.341 30.041 29.700 0.000 0.000 0.750 42 E HN 0.645 nan 8.360 nan 0.000 0.458 43 T N -1.785 112.771 114.554 0.003 0.000 2.932 43 T HA 0.376 4.727 4.350 0.001 0.000 0.289 43 T C -0.208 174.496 174.700 0.007 0.000 1.039 43 T CA -1.019 61.084 62.100 0.005 0.000 1.024 43 T CB 2.161 71.032 68.868 0.005 0.000 1.090 43 T HN -0.088 nan 8.240 nan 0.000 0.496 44 R N 0.974 121.479 120.500 0.009 0.000 2.458 44 R HA 0.303 4.643 4.340 0.001 0.000 0.303 44 R C -1.019 175.289 176.300 0.013 0.000 1.013 44 R CA -0.482 55.625 56.100 0.011 0.000 1.026 44 R CB -0.118 30.190 30.300 0.014 0.000 0.948 44 R HN 0.579 nan 8.270 nan 0.000 0.417 45 L N 6.363 127.594 121.223 0.013 0.000 2.318 45 L HA 0.321 4.661 4.340 0.001 0.000 0.277 45 L C -1.193 175.690 176.870 0.022 0.000 1.008 45 L CA -0.490 54.359 54.840 0.016 0.000 0.846 45 L CB 1.674 43.740 42.059 0.012 0.000 1.220 45 L HN 0.326 nan 8.230 nan 0.000 0.423 46 V N 5.947 125.877 119.914 0.026 0.000 2.567 46 V HA 0.447 4.568 4.120 0.001 0.000 0.289 46 V C 0.103 176.219 176.094 0.037 0.000 1.049 46 V CA -0.515 61.805 62.300 0.034 0.000 0.969 46 V CB 1.586 33.431 31.823 0.037 0.000 0.995 46 V HN 0.572 nan 8.190 nan 0.000 0.471 47 L N 3.824 125.075 121.223 0.046 0.000 2.356 47 L HA 0.585 4.926 4.340 0.001 0.000 0.277 47 L C -0.103 176.799 176.870 0.054 0.000 0.996 47 L CA -0.370 54.499 54.840 0.049 0.000 0.822 47 L CB 1.886 43.978 42.059 0.055 0.000 1.256 47 L HN 0.659 nan 8.230 nan 0.000 0.413 48 E N 2.561 122.792 120.200 0.052 0.000 2.174 48 E HA 0.329 4.680 4.350 0.001 0.000 0.282 48 E C -0.989 175.631 176.600 0.033 0.000 0.992 48 E CA -0.768 55.661 56.400 0.049 0.000 0.803 48 E CB 1.841 31.586 29.700 0.076 0.000 1.090 48 E HN 0.349 nan 8.360 nan 0.000 0.396 49 V N 4.646 124.572 119.914 0.020 0.000 2.485 49 V HA 0.055 4.176 4.120 0.001 0.000 0.287 49 V C 0.935 177.028 176.094 -0.002 0.000 1.022 49 V CA 0.866 63.181 62.300 0.026 0.000 1.067 49 V CB 0.579 32.421 31.823 0.031 0.000 0.967 49 V HN 0.888 nan 8.190 nan 0.000 0.479 50 A N 4.632 127.462 122.820 0.017 0.000 1.963 50 A HA 0.289 4.610 4.320 0.001 0.000 0.207 50 A C 0.754 178.337 177.584 -0.001 0.000 1.243 50 A CA 0.350 52.385 52.037 -0.003 0.000 0.728 50 A CB 0.295 19.299 19.000 0.007 0.000 0.895 50 A HN 0.759 nan 8.150 nan 0.000 0.467 51 Q N -0.992 118.835 119.800 0.044 0.000 2.377 51 Q HA 0.369 4.710 4.340 0.001 0.000 0.279 51 Q C -1.663 174.450 176.000 0.188 0.000 1.049 51 Q CA -0.509 55.330 55.803 0.059 0.000 0.825 51 Q CB 1.882 30.646 28.738 0.043 0.000 1.401 51 Q HN 0.622 nan 8.270 nan 0.000 0.404 52 H N 2.234 121.297 119.070 -0.012 0.000 2.705 52 H HA 0.213 4.769 4.556 0.001 0.000 0.291 52 H C 0.552 175.881 175.328 0.002 0.000 1.085 52 H CA -0.253 55.792 56.048 -0.006 0.000 1.357 52 H CB 1.021 30.773 29.762 -0.016 0.000 1.419 52 H HN 0.445 nan 8.280 nan 0.000 0.462 53 L N 2.998 124.280 121.223 0.099 0.000 2.492 53 L HA 0.134 4.474 4.340 0.001 0.000 0.223 53 L C 1.210 178.105 176.870 0.043 0.000 1.132 53 L CA 0.454 55.329 54.840 0.058 0.000 0.850 53 L CB -0.111 41.972 42.059 0.039 0.000 0.966 53 L HN 0.916 nan 8.230 nan 0.000 0.454 54 G N 0.296 109.120 108.800 0.040 0.000 2.661 54 G HA2 -0.195 3.765 3.960 0.001 0.000 0.685 54 G HA3 -0.195 3.765 3.960 0.001 0.000 0.685 54 G C 0.032 174.937 174.900 0.008 0.000 1.298 54 G CA -0.413 44.701 45.100 0.023 0.000 0.855 54 G HN 0.342 nan 8.290 nan 0.000 0.560 55 E N -0.937 119.266 120.200 0.005 0.000 2.403 55 E HA -0.225 4.125 4.350 0.001 0.000 0.241 55 E C 1.082 177.682 176.600 -0.000 0.000 1.201 55 E CA 1.099 57.500 56.400 0.002 0.000 0.721 55 E CB -1.574 28.129 29.700 0.004 0.000 1.245 55 E HN 2.023 nan 8.360 nan 0.000 0.392 56 S N -2.448 113.245 115.700 -0.011 0.000 3.476 56 S HA -0.208 4.263 4.470 0.001 0.000 0.309 56 S C 0.205 174.814 174.600 0.015 0.000 1.222 56 S CA 1.491 59.685 58.200 -0.009 0.000 0.922 56 S CB -1.108 62.102 63.200 0.017 0.000 1.023 56 S HN 0.460 nan 8.310 nan 0.000 0.591 57 T N 1.642 116.196 114.554 -0.001 0.000 2.823 57 T HA 0.645 4.996 4.350 0.001 0.000 0.279 57 T C 0.240 174.944 174.700 0.007 0.000 0.998 57 T CA -0.275 61.840 62.100 0.026 0.000 0.994 57 T CB 1.895 70.775 68.868 0.021 0.000 0.960 57 T HN 0.610 nan 8.240 nan 0.000 0.448 58 V N 1.185 121.131 119.914 0.055 0.000 2.628 58 V HA 0.751 4.871 4.120 0.001 0.000 0.306 58 V C -0.294 175.850 176.094 0.083 0.000 1.045 58 V CA -1.385 60.954 62.300 0.064 0.000 0.905 58 V CB 1.680 33.540 31.823 0.062 0.000 0.997 58 V HN 0.842 nan 8.190 nan 0.000 0.436 59 R N 2.405 122.952 120.500 0.079 0.000 2.368 59 R HA 0.732 5.072 4.340 0.001 0.000 0.302 59 R C 0.016 176.351 176.300 0.058 0.000 1.002 59 R CA 0.425 56.560 56.100 0.058 0.000 0.929 59 R CB 1.402 31.727 30.300 0.043 0.000 1.073 59 R HN 1.191 nan 8.270 nan 0.000 0.464 60 T N 0.961 115.545 114.554 0.050 0.000 2.887 60 T HA 0.581 4.932 4.350 0.001 0.000 0.292 60 T C -0.285 174.433 174.700 0.031 0.000 1.087 60 T CA -0.868 61.259 62.100 0.046 0.000 1.009 60 T CB 1.141 70.045 68.868 0.060 0.000 1.203 60 T HN 0.427 nan 8.240 nan 0.000 0.518 61 I N 1.398 121.985 120.570 0.029 0.000 2.418 61 I HA 0.597 4.768 4.170 0.001 0.000 0.287 61 I C 0.507 176.639 176.117 0.025 0.000 1.008 61 I CA -1.246 60.066 61.300 0.020 0.000 1.104 61 I CB 1.735 39.744 38.000 0.015 0.000 1.264 61 I HN 0.984 nan 8.210 nan 0.000 0.438 62 A N 6.912 129.743 122.820 0.019 0.000 2.425 62 A HA 0.405 4.726 4.320 0.001 0.000 0.249 62 A C 0.820 178.415 177.584 0.019 0.000 1.084 62 A CA -0.178 51.870 52.037 0.020 0.000 0.781 62 A CB 0.373 19.381 19.000 0.013 0.000 1.019 62 A HN 0.756 nan 8.150 nan 0.000 0.490 63 M N 0.845 120.459 119.600 0.023 0.000 2.495 63 M HA 0.192 4.672 4.480 0.001 0.000 0.237 63 M C -0.082 176.228 176.300 0.017 0.000 1.131 63 M CA 0.546 55.859 55.300 0.023 0.000 1.032 63 M CB -1.092 31.526 32.600 0.029 0.000 1.513 63 M HN 0.781 nan 8.290 nan 0.000 0.488 64 D N -1.135 119.273 120.400 0.014 0.000 2.759 64 D HA 0.453 5.094 4.640 0.001 0.000 0.321 64 D C -0.523 175.781 176.300 0.007 0.000 1.267 64 D CA -0.221 53.785 54.000 0.010 0.000 0.933 64 D CB 1.229 42.035 40.800 0.011 0.000 1.431 64 D HN 0.104 nan 8.370 nan 0.000 0.504 65 G N -0.667 108.136 108.800 0.005 0.000 2.353 65 G HA2 0.301 4.261 3.960 0.001 0.000 0.239 65 G HA3 0.301 4.261 3.960 0.001 0.000 0.239 65 G C 0.875 175.777 174.900 0.003 0.000 1.295 65 G CA 0.667 45.768 45.100 0.003 0.000 0.884 65 G HN 0.396 nan 8.290 nan 0.000 0.537 66 T N -0.883 113.671 114.554 0.001 0.000 3.086 66 T HA 0.122 4.472 4.350 0.001 0.000 0.250 66 T C 0.834 175.533 174.700 -0.002 0.000 1.074 66 T CA 0.071 62.171 62.100 0.000 0.000 0.988 66 T CB 0.030 68.899 68.868 0.000 0.000 0.988 66 T HN 0.664 nan 8.240 nan 0.000 0.530 67 E N 2.016 122.215 120.200 -0.001 0.000 2.452 67 E HA 0.247 4.598 4.350 0.001 0.000 0.261 67 E C 1.143 177.741 176.600 -0.003 0.000 0.987 67 E CA 0.866 57.264 56.400 -0.002 0.000 0.926 67 E CB 0.059 29.758 29.700 -0.002 0.000 0.934 67 E HN 0.488 nan 8.360 nan 0.000 0.452 68 G N 2.972 111.769 108.800 -0.004 0.000 2.213 68 G HA2 -0.256 3.705 3.960 0.001 0.000 0.236 68 G HA3 -0.256 3.705 3.960 0.001 0.000 0.236 68 G C 0.352 175.248 174.900 -0.007 0.000 0.991 68 G CA 0.103 45.200 45.100 -0.005 0.000 0.629 68 G HN 0.496 nan 8.290 nan 0.000 0.517 69 L N 1.168 122.387 121.223 -0.007 0.000 2.453 69 L HA 0.470 4.811 4.340 0.001 0.000 0.272 69 L C 0.581 177.443 176.870 -0.012 0.000 1.182 69 L CA -0.169 54.665 54.840 -0.010 0.000 0.858 69 L CB 1.173 43.226 42.059 -0.009 0.000 1.120 69 L HN 0.011 nan 8.230 nan 0.000 0.474 70 V N 3.741 123.646 119.914 -0.016 0.000 2.680 70 V HA 0.373 4.493 4.120 0.001 0.000 0.309 70 V C 0.193 176.273 176.094 -0.024 0.000 1.052 70 V CA -0.941 61.348 62.300 -0.018 0.000 0.908 70 V CB 2.009 33.821 31.823 -0.018 0.000 1.001 70 V HN 0.683 nan 8.190 nan 0.000 0.431 71 R N 1.977 122.463 120.500 -0.023 0.000 2.585 71 R HA 0.389 4.730 4.340 0.001 0.000 0.275 71 R C 1.331 177.610 176.300 -0.035 0.000 1.018 71 R CA 1.242 57.324 56.100 -0.029 0.000 1.072 71 R CB 0.121 30.406 30.300 -0.024 0.000 0.953 71 R HN 1.188 nan 8.270 nan 0.000 0.419 72 G N 1.574 110.346 108.800 -0.047 0.000 2.258 72 G HA2 -0.334 3.627 3.960 0.001 0.000 0.233 72 G HA3 -0.334 3.627 3.960 0.001 0.000 0.233 72 G C 0.214 175.077 174.900 -0.062 0.000 1.006 72 G CA 0.067 45.134 45.100 -0.054 0.000 0.620 72 G HN 0.601 nan 8.290 nan 0.000 0.511 73 Q N 1.425 121.193 119.800 -0.053 0.000 2.333 73 Q HA 0.332 4.673 4.340 0.001 0.000 0.299 73 Q C 0.272 176.228 176.000 -0.073 0.000 1.067 73 Q CA 0.298 56.070 55.803 -0.051 0.000 0.943 73 Q CB 0.394 29.109 28.738 -0.038 0.000 1.233 73 Q HN 0.264 nan 8.270 nan 0.000 0.401 74 K N 2.066 122.424 120.400 -0.069 0.000 2.154 74 K HA 0.417 4.738 4.320 0.001 0.000 0.264 74 K C -0.938 175.613 176.600 -0.081 0.000 1.008 74 K CA -0.399 55.833 56.287 -0.092 0.000 0.937 74 K CB 1.457 33.915 32.500 -0.070 0.000 1.002 74 K HN 0.424 nan 8.250 nan 0.000 0.469 75 V N 3.005 122.851 119.914 -0.114 0.000 2.808 75 V HA 0.403 4.524 4.120 0.001 0.000 0.308 75 V C -0.535 175.563 176.094 0.007 0.000 1.099 75 V CA -0.955 61.314 62.300 -0.052 0.000 0.920 75 V CB 1.960 33.750 31.823 -0.054 0.000 1.014 75 V HN 0.537 nan 8.190 nan 0.000 0.425 76 L N 2.605 123.876 121.223 0.081 0.000 2.322 76 L HA 0.557 4.897 4.340 0.001 0.000 0.281 76 L C -0.308 176.662 176.870 0.168 0.000 1.014 76 L CA -0.608 54.313 54.840 0.134 0.000 0.815 76 L CB 1.810 43.910 42.059 0.068 0.000 1.247 76 L HN 0.617 nan 8.230 nan 0.000 0.421 77 D N 1.079 121.600 120.400 0.201 0.000 2.401 77 D HA -0.019 4.621 4.640 0.001 0.000 0.254 77 D C 1.139 177.460 176.300 0.035 0.000 1.192 77 D CA 0.159 54.203 54.000 0.074 0.000 0.885 77 D CB 1.332 42.112 40.800 -0.035 0.000 1.147 77 D HN 0.560 nan 8.370 nan 0.000 0.478 78 S N 2.720 118.431 115.700 0.018 0.000 2.489 78 S HA 0.117 4.588 4.470 0.001 0.000 0.228 78 S C 1.707 176.298 174.600 -0.015 0.000 0.995 78 S CA 0.596 58.796 58.200 0.000 0.000 0.934 78 S CB -0.137 63.061 63.200 -0.002 0.000 0.771 78 S HN 0.939 nan 8.310 nan 0.000 0.522 79 G N 0.198 108.986 108.800 -0.020 0.000 2.176 79 G HA2 0.082 4.043 3.960 0.001 0.000 0.253 79 G HA3 0.082 4.043 3.960 0.001 0.000 0.253 79 G C 0.145 175.031 174.900 -0.025 0.000 0.979 79 G CA -0.133 44.950 45.100 -0.028 0.000 0.641 79 G HN 1.577 nan 8.290 nan 0.000 0.530 80 A N -0.896 121.914 122.820 -0.017 0.000 2.602 80 A HA 0.913 5.234 4.320 0.001 0.000 0.290 80 A C -3.034 174.556 177.584 0.010 0.000 1.114 80 A CA -0.843 51.191 52.037 -0.006 0.000 0.683 80 A CB 1.185 20.181 19.000 -0.006 0.000 1.281 80 A HN 0.091 nan 8.150 nan 0.000 0.416 81 P HA 0.326 nan 4.420 nan 0.000 0.273 81 P C -0.327 177.024 177.300 0.085 0.000 1.250 81 P CA -0.227 62.918 63.100 0.075 0.000 0.793 81 P CB 0.202 31.981 31.700 0.131 0.000 1.011 82 I N 1.147 121.785 120.570 0.114 0.000 2.906 82 I HA -0.126 4.044 4.170 0.001 0.000 0.301 82 I C 1.132 177.295 176.117 0.076 0.000 1.221 82 I CA 1.099 62.449 61.300 0.083 0.000 1.435 82 I CB -0.267 37.780 38.000 0.079 0.000 1.345 82 I HN 0.176 nan 8.210 nan 0.000 0.558 83 R N 7.173 127.717 120.500 0.073 0.000 2.670 83 R HA 0.773 5.113 4.340 0.001 0.000 0.289 83 R C -0.735 175.677 176.300 0.187 0.000 0.965 83 R CA -0.814 55.354 56.100 0.113 0.000 0.899 83 R CB 2.266 32.620 30.300 0.091 0.000 1.173 83 R HN 0.610 nan 8.270 nan 0.000 0.456 84 I N -1.511 119.178 120.570 0.199 0.000 2.934 84 I HA 0.634 4.804 4.170 0.001 0.000 0.306 84 I C -2.739 173.361 176.117 -0.028 0.000 1.110 84 I CA -3.327 58.057 61.300 0.141 0.000 1.019 84 I CB 2.560 40.573 38.000 0.022 0.000 1.227 84 I HN 0.303 nan 8.210 nan 0.000 0.434 85 P HA 0.206 nan 4.420 nan 0.000 0.271 85 P C -0.725 176.305 177.300 -0.451 0.000 1.216 85 P CA -0.149 62.568 63.100 -0.638 0.000 0.771 85 P CB 0.942 32.349 31.700 -0.487 0.000 0.864 86 V N 0.193 119.772 119.914 -0.558 0.000 3.001 86 V HA 1.019 5.139 4.120 0.001 0.000 0.314 86 V C 0.159 175.643 176.094 -1.016 0.000 1.099 86 V CA -0.187 61.705 62.300 -0.679 0.000 0.989 86 V CB 1.339 32.832 31.823 -0.550 0.000 1.040 86 V HN 0.944 nan 8.190 nan 0.000 0.434 87 G N 2.727 110.658 108.800 -1.450 0.000 2.373 87 G HA2 0.042 4.003 3.960 0.001 0.000 0.634 87 G HA3 0.042 4.003 3.960 0.001 0.000 0.634 87 G C -2.553 172.058 174.900 -0.483 0.000 1.267 87 G CA -0.052 44.262 45.100 -1.309 0.000 1.008 87 G HN 0.648 nan 8.290 nan 0.000 0.497 88 P HA -0.009 nan 4.420 nan 0.000 0.218 88 P C 1.502 178.769 177.300 -0.054 0.000 1.148 88 P CA 1.845 64.930 63.100 -0.025 0.000 0.822 88 P CB 0.029 31.737 31.700 0.014 0.000 0.784 89 E N -0.753 119.384 120.200 -0.106 0.000 2.516 89 E HA -0.083 4.267 4.350 0.001 0.000 0.199 89 E C 1.438 177.993 176.600 -0.076 0.000 1.069 89 E CA 1.370 57.720 56.400 -0.083 0.000 0.876 89 E CB -1.259 28.381 29.700 -0.100 0.000 0.843 89 E HN 0.406 nan 8.360 nan 0.000 0.530 90 T N -0.913 113.591 114.554 -0.084 0.000 3.014 90 T HA 0.055 4.406 4.350 0.001 0.000 0.263 90 T C 1.193 175.911 174.700 0.029 0.000 1.078 90 T CA -0.120 61.956 62.100 -0.040 0.000 1.135 90 T CB -0.348 68.480 68.868 -0.067 0.000 0.895 90 T HN 0.005 nan 8.240 nan 0.000 0.480 91 L N 1.941 123.182 121.223 0.031 0.000 2.499 91 L HA 0.438 4.778 4.340 0.001 0.000 0.273 91 L C 1.806 178.700 176.870 0.040 0.000 1.195 91 L CA 0.807 55.655 54.840 0.015 0.000 0.882 91 L CB 0.036 42.054 42.059 -0.068 0.000 1.133 91 L HN 0.542 nan 8.230 nan 0.000 0.483 92 G N 1.607 110.450 108.800 0.071 0.000 2.234 92 G HA2 -0.232 3.728 3.960 0.001 0.000 0.260 92 G HA3 -0.232 3.728 3.960 0.001 0.000 0.260 92 G C 0.473 175.455 174.900 0.137 0.000 0.987 92 G CA -0.257 44.904 45.100 0.102 0.000 0.625 92 G HN 0.468 nan 8.290 nan 0.000 0.532 93 R N 0.104 120.659 120.500 0.092 0.000 2.532 93 R HA 0.753 5.093 4.340 0.001 0.000 0.272 93 R C 0.389 176.723 176.300 0.056 0.000 1.032 93 R CA -0.838 55.302 56.100 0.066 0.000 1.089 93 R CB 0.529 30.844 30.300 0.026 0.000 1.098 93 R HN 0.371 nan 8.270 nan 0.000 0.526 94 I N 2.693 123.259 120.570 -0.006 0.000 2.406 94 I HA 0.413 4.584 4.170 0.001 0.000 0.290 94 I C 0.403 176.522 176.117 0.004 0.000 0.999 94 I CA -0.706 60.591 61.300 -0.005 0.000 1.124 94 I CB 1.513 39.423 38.000 -0.150 0.000 1.289 94 I HN 0.425 nan 8.210 nan 0.000 0.441 95 M N 4.282 123.908 119.600 0.043 0.000 2.761 95 M HA 0.649 5.129 4.480 0.001 0.000 0.305 95 M C -1.064 175.267 176.300 0.052 0.000 1.235 95 M CA -0.672 54.645 55.300 0.029 0.000 0.850 95 M CB 2.085 34.691 32.600 0.010 0.000 1.744 95 M HN 0.518 nan 8.290 nan 0.000 0.480 96 N N 0.404 119.126 118.700 0.037 0.000 2.725 96 N HA 0.401 5.142 4.740 0.001 0.000 0.312 96 N C 0.789 176.316 175.510 0.028 0.000 1.295 96 N CA -0.415 52.661 53.050 0.044 0.000 0.914 96 N CB -0.172 38.337 38.487 0.036 0.000 1.177 96 N HN 0.678 nan 8.380 nan 0.000 0.601 97 V N -1.143 118.787 119.914 0.026 0.000 2.317 97 V HA -0.262 3.859 4.120 0.001 0.000 0.251 97 V C 1.877 177.980 176.094 0.015 0.000 1.065 97 V CA 2.363 64.672 62.300 0.015 0.000 1.049 97 V CB -1.416 30.418 31.823 0.019 0.000 0.651 97 V HN 0.760 nan 8.190 nan 0.000 0.450 98 I N -1.764 118.821 120.570 0.025 0.000 3.875 98 I HA 0.667 4.838 4.170 0.001 0.000 0.329 98 I C 1.480 177.624 176.117 0.044 0.000 1.295 98 I CA 0.579 61.900 61.300 0.034 0.000 1.129 98 I CB -0.122 37.900 38.000 0.035 0.000 1.008 98 I HN 0.413 nan 8.210 nan 0.000 0.413 99 G N 1.113 109.934 108.800 0.034 0.000 2.176 99 G HA2 -0.255 3.706 3.960 0.001 0.000 0.253 99 G HA3 -0.255 3.706 3.960 0.001 0.000 0.253 99 G C -0.046 174.877 174.900 0.038 0.000 0.979 99 G CA 0.015 45.135 45.100 0.034 0.000 0.641 99 G HN 0.633 nan 8.290 nan 0.000 0.530 100 E N 1.993 122.215 120.200 0.037 0.000 2.392 100 E HA 0.314 4.664 4.350 0.001 0.000 0.264 100 E C -2.066 174.544 176.600 0.016 0.000 1.024 100 E CA -1.312 55.107 56.400 0.031 0.000 0.903 100 E CB 0.936 30.652 29.700 0.026 0.000 0.963 100 E HN 0.262 nan 8.360 nan 0.000 0.432 101 P HA 0.040 nan 4.420 nan 0.000 0.275 101 P C 0.057 177.349 177.300 -0.013 0.000 1.227 101 P CA 0.297 63.395 63.100 -0.003 0.000 0.781 101 P CB 0.412 32.111 31.700 -0.001 0.000 0.906 102 I N -1.081 119.468 120.570 -0.035 0.000 3.658 102 I HA 0.275 4.445 4.170 0.001 0.000 0.328 102 I C -0.064 175.991 176.117 -0.104 0.000 1.567 102 I CA -0.343 60.925 61.300 -0.054 0.000 1.078 102 I CB 0.083 38.055 38.000 -0.047 0.000 1.267 102 I HN 0.034 nan 8.210 nan 0.000 0.495 103 D N 0.194 120.536 120.400 -0.096 0.000 2.395 103 D HA 0.047 4.687 4.640 0.001 0.000 0.213 103 D C 0.446 176.729 176.300 -0.029 0.000 1.110 103 D CA -0.187 53.740 54.000 -0.121 0.000 0.835 103 D CB -0.013 40.701 40.800 -0.143 0.000 0.965 103 D HN 0.434 nan 8.370 nan 0.000 0.505 104 E N -0.155 120.035 120.200 -0.016 0.000 2.586 104 E HA -0.249 4.102 4.350 0.001 0.000 0.259 104 E C 0.024 176.637 176.600 0.022 0.000 1.107 104 E CA 0.276 56.679 56.400 0.006 0.000 0.754 104 E CB -1.036 28.671 29.700 0.012 0.000 1.335 104 E HN 0.416 nan 8.360 nan 0.000 0.411 105 R N -0.135 120.378 120.500 0.022 0.000 2.586 105 R HA 0.304 4.644 4.340 0.001 0.000 0.336 105 R C 0.850 177.163 176.300 0.021 0.000 1.060 105 R CA 0.224 56.342 56.100 0.030 0.000 1.079 105 R CB 1.128 31.456 30.300 0.046 0.000 1.317 105 R HN 0.304 nan 8.270 nan 0.000 0.568 106 G N 2.150 110.960 108.800 0.016 0.000 2.693 106 G HA2 -0.247 3.714 3.960 0.001 0.000 0.226 106 G HA3 -0.247 3.714 3.960 0.001 0.000 0.226 106 G C -2.489 172.420 174.900 0.015 0.000 1.354 106 G CA -1.161 43.948 45.100 0.015 0.000 0.873 106 G HN 0.091 nan 8.290 nan 0.000 0.562 107 P HA 0.420 nan 4.420 nan 0.000 0.269 107 P C 0.075 177.381 177.300 0.009 0.000 1.209 107 P CA -0.141 62.971 63.100 0.021 0.000 0.776 107 P CB 0.372 32.090 31.700 0.029 0.000 0.876 108 I N 3.197 123.768 120.570 0.001 0.000 2.269 108 I HA 0.113 4.283 4.170 0.001 0.000 0.293 108 I C 0.949 177.036 176.117 -0.051 0.000 1.106 108 I CA -0.416 60.863 61.300 -0.035 0.000 1.248 108 I CB 0.010 37.973 38.000 -0.061 0.000 1.444 108 I HN 0.175 nan 8.210 nan 0.000 0.497 109 K N 5.126 125.502 120.400 -0.041 0.000 2.206 109 K HA 0.331 4.651 4.320 0.001 0.000 0.268 109 K C -0.270 176.281 176.600 -0.082 0.000 1.111 109 K CA -0.456 55.812 56.287 -0.030 0.000 0.955 109 K CB -0.119 32.382 32.500 0.002 0.000 1.406 109 K HN 0.499 nan 8.250 nan 0.000 0.427 110 T N 0.070 114.526 114.554 -0.164 0.000 2.943 110 T HA 0.297 4.648 4.350 0.001 0.000 0.284 110 T C 0.708 175.320 174.700 -0.147 0.000 1.015 110 T CA -0.996 60.956 62.100 -0.248 0.000 1.042 110 T CB 1.863 70.427 68.868 -0.507 0.000 1.055 110 T HN 0.277 nan 8.240 nan 0.000 0.500 111 K N 0.377 120.710 120.400 -0.112 0.000 2.076 111 K HA 0.107 4.427 4.320 0.001 0.000 0.204 111 K C 0.558 177.174 176.600 0.027 0.000 1.051 111 K CA 1.115 57.396 56.287 -0.010 0.000 0.949 111 K CB -0.079 32.420 32.500 -0.001 0.000 0.726 111 K HN 0.606 nan 8.250 nan 0.000 0.443 112 Q N -0.778 118.967 119.800 -0.092 0.000 2.266 112 Q HA 0.515 4.855 4.340 0.001 0.000 0.261 112 Q C -0.987 174.887 176.000 -0.209 0.000 0.985 112 Q CA -0.459 55.331 55.803 -0.021 0.000 0.873 112 Q CB 1.428 30.163 28.738 -0.004 0.000 1.306 112 Q HN -0.085 nan 8.270 nan 0.000 0.447 113 F N 0.228 120.151 119.950 -0.044 0.000 2.579 113 F HA 0.857 5.384 4.527 0.000 0.000 0.324 113 F C -0.286 175.496 175.800 -0.029 0.000 1.058 113 F CA -0.972 56.999 58.000 -0.049 0.000 0.944 113 F CB 1.942 40.922 39.000 -0.033 0.000 1.245 113 F HN 0.572 nan 8.300 nan 0.000 0.477 114 A N 0.989 123.886 122.820 0.129 0.000 2.449 114 A HA 0.835 5.155 4.320 0.001 0.000 0.302 114 A C -1.154 176.474 177.584 0.073 0.000 1.048 114 A CA -0.741 51.343 52.037 0.078 0.000 0.708 114 A CB 1.013 20.032 19.000 0.030 0.000 1.274 114 A HN 1.012 nan 8.150 nan 0.000 0.410 115 A N 1.421 124.280 122.820 0.065 0.000 2.440 115 A HA 0.477 4.797 4.320 0.001 0.000 0.251 115 A C 1.155 178.754 177.584 0.026 0.000 1.089 115 A CA 0.135 52.210 52.037 0.063 0.000 0.779 115 A CB -0.360 18.686 19.000 0.077 0.000 1.022 115 A HN 1.689 nan 8.150 nan 0.000 0.492 116 I N -0.308 120.256 120.570 -0.010 0.000 2.676 116 I HA -0.026 4.144 4.170 0.001 0.000 0.259 116 I C 0.292 176.264 176.117 -0.241 0.000 1.194 116 I CA 0.584 61.804 61.300 -0.133 0.000 1.473 116 I CB -0.402 37.485 38.000 -0.188 0.000 1.096 116 I HN 0.522 nan 8.210 nan 0.000 0.443 117 H N 2.435 121.508 119.070 0.006 0.000 2.502 117 H HA 0.786 5.342 4.556 0.001 0.000 0.327 117 H C -0.393 174.934 175.328 -0.001 0.000 1.099 117 H CA -0.072 55.978 56.048 0.002 0.000 1.323 117 H CB 1.570 31.335 29.762 0.005 0.000 1.450 117 H HN 0.423 nan 8.280 nan 0.000 0.502 118 A N 2.952 125.830 122.820 0.098 0.000 2.605 118 A HA 0.286 4.607 4.320 0.001 0.000 0.294 118 A C -0.698 176.910 177.584 0.039 0.000 1.062 118 A CA -0.922 51.146 52.037 0.052 0.000 0.682 118 A CB 1.608 20.620 19.000 0.021 0.000 1.278 118 A HN 0.672 nan 8.150 nan 0.000 0.410 119 E N 0.789 121.006 120.200 0.028 0.000 2.343 119 E HA 0.481 4.831 4.350 0.001 0.000 0.269 119 E C 0.387 176.995 176.600 0.014 0.000 1.047 119 E CA -0.165 56.249 56.400 0.023 0.000 0.874 119 E CB 1.594 31.306 29.700 0.020 0.000 1.033 119 E HN 0.843 nan 8.360 nan 0.000 0.409 120 A N 3.859 126.688 122.820 0.015 0.000 2.462 120 A HA 0.262 4.582 4.320 0.001 0.000 0.243 120 A C -2.101 175.492 177.584 0.015 0.000 1.076 120 A CA -1.104 50.938 52.037 0.010 0.000 0.773 120 A CB -0.420 18.590 19.000 0.016 0.000 1.010 120 A HN 0.317 nan 8.150 nan 0.000 0.493 121 P HA 0.048 nan 4.420 nan 0.000 0.264 121 P C -0.063 177.253 177.300 0.027 0.000 1.183 121 P CA 0.268 63.372 63.100 0.007 0.000 0.763 121 P CB 0.402 32.097 31.700 -0.008 0.000 0.807 122 E N 1.790 122.010 120.200 0.034 0.000 2.410 122 E HA -0.021 4.329 4.350 0.001 0.000 0.255 122 E C 0.901 177.560 176.600 0.097 0.000 1.194 122 E CA -0.226 56.218 56.400 0.073 0.000 0.955 122 E CB 0.040 29.781 29.700 0.069 0.000 0.988 122 E HN 0.398 nan 8.360 nan 0.000 0.461 123 F N 1.846 121.795 119.950 -0.001 0.000 2.120 123 F HA -0.258 4.269 4.527 0.000 0.000 0.300 123 F C 1.922 177.721 175.800 -0.002 0.000 1.095 123 F CA 2.043 60.042 58.000 -0.001 0.000 1.249 123 F CB -0.301 38.698 39.000 -0.001 0.000 0.995 123 F HN 0.271 nan 8.300 nan 0.000 0.480 124 V N -2.076 117.839 119.914 0.000 0.000 2.913 124 V HA -0.170 3.951 4.120 0.001 0.000 0.260 124 V C 1.640 177.657 176.094 -0.128 0.000 1.098 124 V CA 1.927 64.169 62.300 -0.097 0.000 1.121 124 V CB -1.041 30.794 31.823 0.021 0.000 0.714 124 V HN 0.448 nan 8.190 nan 0.000 0.487 125 E N 0.050 120.193 120.200 -0.095 0.000 2.481 125 E HA 0.114 4.464 4.350 0.001 0.000 0.195 125 E C 0.649 177.182 176.600 -0.110 0.000 1.047 125 E CA -0.074 56.279 56.400 -0.079 0.000 0.867 125 E CB -0.021 29.654 29.700 -0.041 0.000 0.858 125 E HN 0.490 nan 8.360 nan 0.000 0.513 126 M N 0.938 120.427 119.600 -0.185 0.000 2.248 126 M HA 0.056 4.537 4.480 0.001 0.000 0.337 126 M C 0.440 176.649 176.300 -0.152 0.000 1.121 126 M CA 0.225 55.416 55.300 -0.181 0.000 1.155 126 M CB 0.959 33.393 32.600 -0.276 0.000 1.514 126 M HN -0.158 nan 8.290 nan 0.000 0.452 127 S N 1.798 117.436 115.700 -0.103 0.000 2.489 127 S HA 0.525 4.995 4.470 0.001 0.000 0.291 127 S C 0.395 174.952 174.600 -0.071 0.000 1.151 127 S CA -0.849 57.304 58.200 -0.079 0.000 1.082 127 S CB 0.881 64.050 63.200 -0.053 0.000 1.019 127 S HN 0.589 nan 8.310 nan 0.000 0.492 128 V N 0.976 120.852 119.914 -0.064 0.000 3.214 128 V HA 0.496 4.616 4.120 0.001 0.000 0.330 128 V C 0.095 176.172 176.094 -0.029 0.000 1.403 128 V CA -0.447 61.825 62.300 -0.047 0.000 1.143 128 V CB -0.453 31.340 31.823 -0.051 0.000 1.098 128 V HN 0.723 nan 8.190 nan 0.000 0.463 129 E N 1.902 122.086 120.200 -0.026 0.000 2.338 129 E HA 0.444 4.795 4.350 0.001 0.000 0.272 129 E C -0.640 175.955 176.600 -0.008 0.000 1.029 129 E CA 0.235 56.626 56.400 -0.016 0.000 0.872 129 E CB 1.437 31.129 29.700 -0.014 0.000 1.015 129 E HN 0.648 nan 8.360 nan 0.000 0.417 130 Q N 1.667 121.466 119.800 -0.003 0.000 2.321 130 Q HA 0.416 4.757 4.340 0.001 0.000 0.270 130 Q C -0.811 175.196 176.000 0.011 0.000 1.032 130 Q CA -0.350 55.456 55.803 0.005 0.000 0.784 130 Q CB 2.399 31.140 28.738 0.004 0.000 1.264 130 Q HN 0.398 nan 8.270 nan 0.000 0.448 131 E N 2.740 122.953 120.200 0.021 0.000 2.311 131 E HA 0.285 4.635 4.350 0.001 0.000 0.281 131 E C -1.329 175.298 176.600 0.045 0.000 0.905 131 E CA -0.586 55.832 56.400 0.029 0.000 0.778 131 E CB 2.119 31.834 29.700 0.026 0.000 1.240 131 E HN 0.621 nan 8.360 nan 0.000 0.410 132 I N 4.295 124.897 120.570 0.052 0.000 2.710 132 I HA -0.026 4.145 4.170 0.001 0.000 0.286 132 I C -0.585 175.580 176.117 0.080 0.000 1.181 132 I CA 0.006 61.349 61.300 0.072 0.000 1.430 132 I CB 0.332 38.380 38.000 0.080 0.000 1.367 132 I HN 0.405 nan 8.210 nan 0.000 0.577 133 L N 9.205 130.491 121.223 0.105 0.000 2.277 133 L HA 0.388 4.728 4.340 0.001 0.000 0.284 133 L C -0.776 176.154 176.870 0.100 0.000 1.028 133 L CA -0.286 54.620 54.840 0.110 0.000 0.835 133 L CB 1.114 43.255 42.059 0.136 0.000 1.215 133 L HN 0.309 nan 8.230 nan 0.000 0.425 134 V N 4.621 124.578 119.914 0.072 0.000 2.508 134 V HA 0.200 4.320 4.120 0.001 0.000 0.281 134 V C 1.440 177.553 176.094 0.031 0.000 1.041 134 V CA 0.549 62.875 62.300 0.043 0.000 1.016 134 V CB 0.793 32.642 31.823 0.044 0.000 0.984 134 V HN 0.940 nan 8.190 nan 0.000 0.478 135 T N 0.153 114.700 114.554 -0.011 0.000 3.015 135 T HA 0.273 4.623 4.350 0.001 0.000 0.250 135 T C 1.468 176.152 174.700 -0.026 0.000 1.057 135 T CA 0.823 62.914 62.100 -0.015 0.000 1.066 135 T CB 0.461 69.278 68.868 -0.084 0.000 0.959 135 T HN 1.473 nan 8.240 nan 0.000 0.488 136 G N 1.437 110.223 108.800 -0.023 0.000 2.176 136 G HA2 -0.196 3.764 3.960 0.001 0.000 0.253 136 G HA3 -0.196 3.764 3.960 0.001 0.000 0.253 136 G C -0.025 174.871 174.900 -0.006 0.000 0.979 136 G CA 0.087 45.179 45.100 -0.013 0.000 0.641 136 G HN 0.647 nan 8.290 nan 0.000 0.530 137 I N 1.099 121.658 120.570 -0.018 0.000 2.342 137 I HA 0.289 4.459 4.170 0.001 0.000 0.291 137 I C 1.580 177.702 176.117 0.008 0.000 1.010 137 I CA -0.638 60.687 61.300 0.041 0.000 1.308 137 I CB 1.338 39.379 38.000 0.069 0.000 1.400 137 I HN 0.011 nan 8.210 nan 0.000 0.488 138 K N 4.008 124.422 120.400 0.024 0.000 1.991 138 K HA -0.162 4.159 4.320 0.001 0.000 0.212 138 K C 1.847 178.421 176.600 -0.043 0.000 1.049 138 K CA 1.737 58.027 56.287 0.005 0.000 0.932 138 K CB -0.262 32.245 32.500 0.011 0.000 0.717 138 K HN 0.629 nan 8.250 nan 0.000 0.441 139 V N 0.380 120.275 119.914 -0.033 0.000 2.278 139 V HA -0.272 3.848 4.120 0.001 0.000 0.251 139 V C 2.304 178.356 176.094 -0.071 0.000 1.062 139 V CA 1.891 64.152 62.300 -0.065 0.000 1.038 139 V CB -1.124 30.697 31.823 -0.004 0.000 0.646 139 V HN 0.051 nan 8.190 nan 0.000 0.447 140 V N 0.713 120.581 119.914 -0.076 0.000 2.229 140 V HA -0.210 3.911 4.120 0.001 0.000 0.243 140 V C 2.509 178.513 176.094 -0.151 0.000 1.042 140 V CA 2.435 64.631 62.300 -0.172 0.000 1.000 140 V CB -0.860 30.731 31.823 -0.386 0.000 0.637 140 V HN 0.493 nan 8.190 nan 0.000 0.446 141 D N -0.220 120.106 120.400 -0.123 0.000 2.182 141 D HA -0.148 4.492 4.640 0.001 0.000 0.201 141 D C 1.867 178.214 176.300 0.079 0.000 0.986 141 D CA 1.171 55.154 54.000 -0.030 0.000 0.847 141 D CB -0.181 40.600 40.800 -0.031 0.000 0.942 141 D HN 0.329 nan 8.370 nan 0.000 0.467 142 L N -0.044 121.174 121.223 -0.008 0.000 1.993 142 L HA -0.018 4.323 4.340 0.001 0.000 0.206 142 L C 2.075 179.026 176.870 0.134 0.000 1.074 142 L CA 1.473 56.317 54.840 0.006 0.000 0.746 142 L CB -0.382 41.531 42.059 -0.244 0.000 0.896 142 L HN -0.037 nan 8.230 nan 0.000 0.435 143 L N -1.005 120.210 121.223 -0.014 0.000 2.298 143 L HA 0.273 4.613 4.340 0.001 0.000 0.209 143 L C 0.806 177.679 176.870 0.005 0.000 1.084 143 L CA 0.553 55.376 54.840 -0.029 0.000 0.816 143 L CB -0.188 41.825 42.059 -0.077 0.000 0.967 143 L HN 0.313 nan 8.230 nan 0.000 0.460 144 A N 0.527 123.361 122.820 0.022 0.000 3.370 144 A HA 0.429 4.749 4.320 0.001 0.000 0.295 144 A C -2.599 175.034 177.584 0.081 0.000 1.030 144 A CA -0.949 51.128 52.037 0.066 0.000 0.883 144 A CB -0.215 18.848 19.000 0.105 0.000 1.191 144 A HN -0.139 nan 8.150 nan 0.000 0.507 145 P HA 0.067 nan 4.420 nan 0.000 0.268 145 P C -0.536 176.885 177.300 0.202 0.000 1.205 145 P CA 0.538 63.665 63.100 0.045 0.000 0.771 145 P CB 0.395 32.133 31.700 0.064 0.000 0.858 146 Y N 0.412 120.745 120.300 0.054 0.000 2.300 146 Y HA 0.413 4.964 4.550 0.001 0.000 0.328 146 Y C 1.077 176.994 175.900 0.029 0.000 1.270 146 Y CA -1.272 56.852 58.100 0.039 0.000 1.352 146 Y CB 1.008 39.489 38.460 0.036 0.000 1.286 146 Y HN 0.372 nan 8.280 nan 0.000 0.536 147 A N 3.088 126.011 122.820 0.172 0.000 2.331 147 A HA 0.359 4.680 4.320 0.001 0.000 0.320 147 A C -0.824 176.791 177.584 0.052 0.000 1.138 147 A CA -1.070 51.020 52.037 0.089 0.000 0.790 147 A CB 0.617 19.650 19.000 0.055 0.000 1.206 147 A HN 0.738 nan 8.150 nan 0.000 0.470 148 K N 1.177 121.606 120.400 0.049 0.000 2.466 148 K HA 0.249 4.570 4.320 0.001 0.000 0.278 148 K C 1.176 177.779 176.600 0.005 0.000 1.048 148 K CA 1.323 57.628 56.287 0.030 0.000 1.088 148 K CB 0.153 32.677 32.500 0.040 0.000 0.884 148 K HN 1.566 nan 8.250 nan 0.000 0.478 149 G N 2.239 111.028 108.800 -0.019 0.000 2.162 149 G HA2 -0.253 3.708 3.960 0.001 0.000 0.260 149 G HA3 -0.253 3.708 3.960 0.001 0.000 0.260 149 G C 0.460 175.332 174.900 -0.046 0.000 0.976 149 G CA 0.009 45.089 45.100 -0.034 0.000 0.655 149 G HN 0.855 nan 8.290 nan 0.000 0.533 150 G N -0.676 108.095 108.800 -0.049 0.000 2.522 150 G HA2 0.590 4.550 3.960 0.001 0.000 0.304 150 G HA3 0.590 4.550 3.960 0.001 0.000 0.304 150 G C -0.163 174.680 174.900 -0.096 0.000 1.210 150 G CA -0.706 44.363 45.100 -0.051 0.000 0.960 150 G HN 0.357 nan 8.290 nan 0.000 0.497 151 K N 0.072 120.424 120.400 -0.081 0.000 2.240 151 K HA 0.440 4.761 4.320 0.001 0.000 0.271 151 K C -0.918 175.601 176.600 -0.136 0.000 1.018 151 K CA -0.176 56.046 56.287 -0.108 0.000 0.874 151 K CB 1.826 34.292 32.500 -0.058 0.000 1.098 151 K HN 0.242 nan 8.250 nan 0.000 0.458 152 I N 1.407 121.839 120.570 -0.230 0.000 2.433 152 I HA 0.339 4.510 4.170 0.001 0.000 0.292 152 I C 0.194 176.172 176.117 -0.231 0.000 1.001 152 I CA -0.561 60.543 61.300 -0.328 0.000 1.119 152 I CB 2.201 39.777 38.000 -0.707 0.000 1.289 152 I HN 0.624 nan 8.210 nan 0.000 0.438 153 G N 6.688 115.411 108.800 -0.129 0.000 2.530 153 G HA2 0.712 4.673 3.960 0.001 0.000 0.316 153 G HA3 0.712 4.673 3.960 0.001 0.000 0.316 153 G C -1.006 173.843 174.900 -0.084 0.000 1.298 153 G CA -0.533 44.462 45.100 -0.175 0.000 0.948 153 G HN 0.453 nan 8.290 nan 0.000 0.486 154 L N 2.265 123.399 121.223 -0.149 0.000 2.283 154 L HA 0.433 4.774 4.340 0.001 0.000 0.281 154 L C -0.824 176.008 176.870 -0.063 0.000 1.033 154 L CA -0.621 54.230 54.840 0.017 0.000 0.848 154 L CB 0.729 42.835 42.059 0.078 0.000 1.226 154 L HN 0.317 nan 8.230 nan 0.000 0.429 155 F N 1.483 121.438 119.950 0.008 0.000 2.410 155 F HA 0.722 5.249 4.527 0.001 0.000 0.348 155 F C 1.001 176.794 175.800 -0.012 0.000 1.106 155 F CA -0.270 57.710 58.000 -0.034 0.000 1.163 155 F CB 1.859 40.827 39.000 -0.052 0.000 1.129 155 F HN 0.443 nan 8.300 nan 0.000 0.516 156 G N 1.215 110.076 108.800 0.102 0.000 2.733 156 G HA2 0.481 4.442 3.960 0.001 0.000 0.297 156 G HA3 0.481 4.442 3.960 0.001 0.000 0.297 156 G C -0.567 174.253 174.900 -0.133 0.000 1.452 156 G CA -0.436 44.682 45.100 0.030 0.000 0.940 156 G HN 0.923 nan 8.290 nan 0.000 0.547 157 G N -0.242 108.454 108.800 -0.173 0.000 2.631 157 G HA2 0.617 4.577 3.960 0.001 0.000 0.271 157 G HA3 0.617 4.577 3.960 0.001 0.000 0.271 157 G C 0.828 175.623 174.900 -0.176 0.000 1.302 157 G CA 0.391 45.291 45.100 -0.333 0.000 1.002 157 G HN 1.706 nan 8.290 nan 0.000 0.519 158 A N -1.225 121.549 122.820 -0.077 0.000 2.522 158 A HA 0.516 4.837 4.320 0.001 0.000 0.256 158 A C 1.512 179.162 177.584 0.111 0.000 1.086 158 A CA 1.097 53.252 52.037 0.197 0.000 0.763 158 A CB -0.675 18.485 19.000 0.268 0.000 1.024 158 A HN 2.561 nan 8.150 nan 0.000 0.502 159 G N 0.872 109.745 108.800 0.122 0.000 2.136 159 G HA2 -0.183 3.777 3.960 0.001 0.000 0.242 159 G HA3 -0.183 3.777 3.960 0.001 0.000 0.242 159 G C 0.775 175.721 174.900 0.075 0.000 0.989 159 G CA 0.769 45.917 45.100 0.079 0.000 0.682 159 G HN 2.157 nan 8.290 nan 0.000 0.522 160 V N -3.196 116.770 119.914 0.087 0.000 3.354 160 V HA 0.645 4.765 4.120 0.001 0.000 0.258 160 V C 1.665 177.855 176.094 0.160 0.000 1.159 160 V CA 1.559 63.925 62.300 0.110 0.000 1.125 160 V CB 0.403 32.265 31.823 0.064 0.000 0.774 160 V HN 2.114 nan 8.190 nan 0.000 0.464 161 G N 0.126 109.004 108.800 0.130 0.000 2.240 161 G HA2 -0.137 3.823 3.960 0.001 0.000 0.181 161 G HA3 -0.137 3.823 3.960 0.001 0.000 0.181 161 G C 0.530 175.522 174.900 0.154 0.000 1.028 161 G CA 0.148 45.333 45.100 0.141 0.000 0.760 161 G HN 0.402 nan 8.290 nan 0.000 0.508 162 K N -0.005 120.478 120.400 0.138 0.000 2.009 162 K HA -0.062 4.259 4.320 0.001 0.000 0.210 162 K C 2.497 179.186 176.600 0.147 0.000 1.049 162 K CA 1.970 58.341 56.287 0.140 0.000 0.929 162 K CB -0.237 32.337 32.500 0.124 0.000 0.714 162 K HN 0.274 nan 8.250 nan 0.000 0.440 163 T N 1.039 115.676 114.554 0.137 0.000 2.812 163 T HA -0.075 4.275 4.350 0.001 0.000 0.264 163 T C 2.065 176.841 174.700 0.127 0.000 1.042 163 T CA 0.927 63.110 62.100 0.138 0.000 1.140 163 T CB -0.149 68.796 68.868 0.127 0.000 0.870 163 T HN -0.068 nan 8.240 nan 0.000 0.445 164 V N 1.709 121.698 119.914 0.126 0.000 2.332 164 V HA -0.129 3.991 4.120 0.001 0.000 0.248 164 V C 2.388 178.606 176.094 0.205 0.000 1.055 164 V CA 1.391 63.783 62.300 0.153 0.000 1.038 164 V CB -0.610 31.295 31.823 0.138 0.000 0.651 164 V HN 0.331 nan 8.190 nan 0.000 0.450 165 L N -0.314 121.057 121.223 0.246 0.000 2.056 165 L HA -0.072 4.269 4.340 0.001 0.000 0.207 165 L C 2.115 179.073 176.870 0.148 0.000 1.078 165 L CA 1.688 56.687 54.840 0.264 0.000 0.749 165 L CB -0.558 41.692 42.059 0.319 0.000 0.901 165 L HN 0.236 nan 8.230 nan 0.000 0.433 166 I N -1.123 119.540 120.570 0.154 0.000 2.208 166 I HA -0.334 3.836 4.170 0.001 0.000 0.245 166 I C 2.159 178.291 176.117 0.025 0.000 1.097 166 I CA 1.225 62.614 61.300 0.149 0.000 1.363 166 I CB 0.009 38.129 38.000 0.200 0.000 1.051 166 I HN 0.305 nan 8.210 nan 0.000 0.413 167 M N -0.429 119.176 119.600 0.008 0.000 2.132 167 M HA -0.202 4.278 4.480 0.001 0.000 0.263 167 M C 2.168 178.407 176.300 -0.102 0.000 1.065 167 M CA 1.533 56.790 55.300 -0.071 0.000 1.122 167 M CB -1.432 31.152 32.600 -0.028 0.000 1.365 167 M HN 0.174 nan 8.290 nan 0.000 0.411 168 E N 0.782 120.918 120.200 -0.107 0.000 2.077 168 E HA -0.119 4.231 4.350 0.001 0.000 0.193 168 E C 2.047 178.533 176.600 -0.190 0.000 0.989 168 E CA 1.171 57.422 56.400 -0.247 0.000 0.800 168 E CB -0.293 29.019 29.700 -0.646 0.000 0.746 168 E HN 0.483 nan 8.360 nan 0.000 0.452 169 L N -0.054 121.118 121.223 -0.084 0.000 2.083 169 L HA -0.145 4.195 4.340 0.001 0.000 0.209 169 L C 2.393 179.281 176.870 0.031 0.000 1.083 169 L CA 0.929 55.796 54.840 0.045 0.000 0.752 169 L CB -0.350 41.846 42.059 0.228 0.000 0.899 169 L HN 0.227 nan 8.230 nan 0.000 0.433 170 I N -0.234 120.244 120.570 -0.153 0.000 2.179 170 I HA -0.319 3.851 4.170 0.001 0.000 0.242 170 I C 2.286 178.336 176.117 -0.111 0.000 1.088 170 I CA 1.446 62.582 61.300 -0.272 0.000 1.357 170 I CB -0.412 37.283 38.000 -0.508 0.000 1.051 170 I HN 0.313 nan 8.210 nan 0.000 0.409 171 N N 1.304 119.938 118.700 -0.110 0.000 2.021 171 N HA -0.239 4.501 4.740 0.001 0.000 0.198 171 N C 1.521 177.005 175.510 -0.043 0.000 1.041 171 N CA 2.128 55.133 53.050 -0.074 0.000 0.862 171 N CB -0.130 38.303 38.487 -0.089 0.000 1.048 171 N HN 0.216 nan 8.380 nan 0.000 0.427 172 N N -1.200 117.470 118.700 -0.050 0.000 2.354 172 N HA -0.008 4.732 4.740 0.001 0.000 0.179 172 N C 1.150 176.674 175.510 0.024 0.000 1.021 172 N CA 0.587 53.622 53.050 -0.026 0.000 0.887 172 N CB 0.205 38.656 38.487 -0.059 0.000 0.974 172 N HN 0.157 nan 8.380 nan 0.000 0.437 173 V N -0.622 119.327 119.914 0.058 0.000 3.090 173 V HA 0.290 4.411 4.120 0.001 0.000 0.237 173 V C 1.936 178.098 176.094 0.114 0.000 1.209 173 V CA 0.900 63.259 62.300 0.099 0.000 1.209 173 V CB -0.199 31.708 31.823 0.140 0.000 0.971 173 V HN 0.176 nan 8.190 nan 0.000 0.477 174 A N 0.216 123.109 122.820 0.122 0.000 1.872 174 A HA -0.124 4.196 4.320 0.001 0.000 0.214 174 A C 2.161 179.814 177.584 0.115 0.000 1.187 174 A CA 1.672 53.787 52.037 0.130 0.000 0.614 174 A CB -0.380 18.693 19.000 0.122 0.000 0.826 174 A HN 0.436 nan 8.150 nan 0.000 0.442 175 K N -0.239 120.197 120.400 0.060 0.000 2.052 175 K HA -0.178 4.142 4.320 0.001 0.000 0.215 175 K C 1.136 177.771 176.600 0.058 0.000 1.053 175 K CA 1.478 57.791 56.287 0.043 0.000 0.934 175 K CB -0.338 32.171 32.500 0.015 0.000 0.717 175 K HN 0.409 nan 8.250 nan 0.000 0.450 176 A N 1.570 124.432 122.820 0.070 0.000 3.260 176 A HA 0.073 4.393 4.320 0.001 0.000 0.268 176 A C -0.865 176.787 177.584 0.113 0.000 1.491 176 A CA -0.322 51.753 52.037 0.064 0.000 1.181 176 A CB -0.352 18.674 19.000 0.044 0.000 1.137 176 A HN 0.289 nan 8.150 nan 0.000 0.642 177 H N 0.095 119.167 119.070 0.004 0.000 2.658 177 H HA 0.381 4.938 4.556 0.001 0.000 0.337 177 H C 0.546 175.849 175.328 -0.041 0.000 1.009 177 H CA 0.052 56.096 56.048 -0.006 0.000 1.231 177 H CB 1.760 31.534 29.762 0.020 0.000 1.508 177 H HN 0.318 nan 8.280 nan 0.000 0.517 178 G N 3.062 111.561 108.800 -0.503 0.000 3.379 178 G HA2 0.275 4.235 3.960 0.001 0.000 0.253 178 G HA3 0.275 4.235 3.960 0.001 0.000 0.253 178 G C 0.493 175.087 174.900 -0.510 0.000 1.262 178 G CA 0.398 45.262 45.100 -0.392 0.000 0.959 178 G HN 0.662 nan 8.290 nan 0.000 0.524 179 G N -1.035 107.389 108.800 -0.628 0.000 3.166 179 G HA2 0.579 4.540 3.960 0.001 0.000 0.267 179 G HA3 0.579 4.540 3.960 0.001 0.000 0.267 179 G C -1.342 173.403 174.900 -0.258 0.000 1.256 179 G CA -1.045 43.782 45.100 -0.456 0.000 0.859 179 G HN 0.115 nan 8.290 nan 0.000 0.590 180 Y N -0.397 119.899 120.300 -0.007 0.000 2.453 180 Y HA 0.633 5.183 4.550 0.000 0.000 0.326 180 Y C 0.632 176.498 175.900 -0.056 0.000 1.186 180 Y CA -0.499 57.503 58.100 -0.163 0.000 1.200 180 Y CB 2.329 40.411 38.460 -0.630 0.000 1.247 180 Y HN 0.355 nan 8.280 nan 0.000 0.482 181 S N 0.759 116.539 115.700 0.133 0.000 2.570 181 S HA 0.703 5.174 4.470 0.001 0.000 0.286 181 S C -1.363 173.323 174.600 0.144 0.000 1.099 181 S CA -0.799 57.491 58.200 0.151 0.000 0.913 181 S CB 1.997 65.342 63.200 0.241 0.000 1.085 181 S HN 0.312 nan 8.310 nan 0.000 0.480 182 V N 2.582 122.608 119.914 0.186 0.000 2.531 182 V HA 0.519 4.639 4.120 0.001 0.000 0.301 182 V C -1.290 174.949 176.094 0.243 0.000 1.034 182 V CA -0.657 61.753 62.300 0.183 0.000 0.865 182 V CB 1.381 33.281 31.823 0.129 0.000 0.995 182 V HN 0.849 nan 8.190 nan 0.000 0.424 183 F N 3.975 123.976 119.950 0.085 0.000 2.426 183 F HA 0.789 5.316 4.527 0.001 0.000 0.348 183 F C 0.302 176.011 175.800 -0.152 0.000 1.124 183 F CA -0.476 57.540 58.000 0.027 0.000 1.008 183 F CB 1.253 40.262 39.000 0.014 0.000 1.139 183 F HN 0.576 nan 8.300 nan 0.000 0.452 184 A N 4.679 127.099 122.820 -0.667 0.000 2.273 184 A HA 0.636 4.957 4.320 0.001 0.000 0.315 184 A C -0.028 177.085 177.584 -0.785 0.000 1.256 184 A CA -0.369 51.328 52.037 -0.567 0.000 0.851 184 A CB 0.270 19.058 19.000 -0.355 0.000 1.172 184 A HN 0.999 nan 8.150 nan 0.000 0.508 185 G N 1.174 109.534 108.800 -0.733 0.000 2.338 185 G HA2 0.503 4.464 3.960 0.001 0.000 0.295 185 G HA3 0.503 4.464 3.960 0.001 0.000 0.295 185 G C -0.666 174.148 174.900 -0.145 0.000 1.132 185 G CA -0.156 44.742 45.100 -0.337 0.000 0.922 185 G HN 0.747 nan 8.290 nan 0.000 0.427 186 V N 2.711 122.578 119.914 -0.078 0.000 2.349 186 V HA 0.592 4.712 4.120 0.001 0.000 0.284 186 V C 1.079 177.190 176.094 0.028 0.000 1.014 186 V CA 0.279 62.564 62.300 -0.025 0.000 0.826 186 V CB 0.851 32.645 31.823 -0.049 0.000 1.009 186 V HN 1.406 nan 8.190 nan 0.000 0.431 187 G N 3.362 112.189 108.800 0.046 0.000 2.187 187 G HA2 -0.207 3.754 3.960 0.001 0.000 0.261 187 G HA3 -0.207 3.754 3.960 0.001 0.000 0.261 187 G C 0.255 175.187 174.900 0.052 0.000 1.000 187 G CA 0.589 45.713 45.100 0.040 0.000 0.718 187 G HN 0.577 nan 8.290 nan 0.000 0.519 188 E N -0.460 119.794 120.200 0.090 0.000 3.262 188 E HA 0.492 4.842 4.350 0.001 0.000 0.257 188 E C 1.076 177.740 176.600 0.108 0.000 1.195 188 E CA -0.887 55.574 56.400 0.103 0.000 1.160 188 E CB 0.333 30.120 29.700 0.147 0.000 1.416 188 E HN 0.409 nan 8.360 nan 0.000 0.630 189 R N 0.037 120.602 120.500 0.108 0.000 2.438 189 R HA 0.182 4.523 4.340 0.001 0.000 0.287 189 R C 1.215 177.561 176.300 0.076 0.000 1.077 189 R CA 0.084 56.231 56.100 0.078 0.000 1.034 189 R CB 0.365 30.704 30.300 0.065 0.000 0.993 189 R HN 0.389 nan 8.270 nan 0.000 0.459 190 T N 2.782 117.356 114.554 0.034 0.000 2.788 190 T HA -0.154 4.197 4.350 0.001 0.000 0.268 190 T C 1.645 176.314 174.700 -0.052 0.000 1.044 190 T CA 1.631 63.717 62.100 -0.022 0.000 1.139 190 T CB -0.072 68.777 68.868 -0.032 0.000 0.867 190 T HN 0.578 nan 8.240 nan 0.000 0.454 191 R N 1.922 122.415 120.500 -0.012 0.000 2.189 191 R HA 0.062 4.402 4.340 0.001 0.000 0.223 191 R C 1.845 178.141 176.300 -0.008 0.000 1.092 191 R CA 1.343 57.438 56.100 -0.008 0.000 0.989 191 R CB -0.586 29.724 30.300 0.016 0.000 0.876 191 R HN 0.381 nan 8.270 nan 0.000 0.457 192 E N 0.453 120.661 120.200 0.014 0.000 2.106 192 E HA -0.051 4.299 4.350 0.001 0.000 0.192 192 E C 2.105 178.692 176.600 -0.023 0.000 0.984 192 E CA 1.077 57.494 56.400 0.027 0.000 0.806 192 E CB -0.255 29.499 29.700 0.090 0.000 0.750 192 E HN 0.630 nan 8.360 nan 0.000 0.458 193 G N 1.317 110.068 108.800 -0.082 0.000 2.446 193 G HA2 -0.371 3.590 3.960 0.001 0.000 0.217 193 G HA3 -0.371 3.590 3.960 0.001 0.000 0.217 193 G C 1.403 176.104 174.900 -0.333 0.000 1.168 193 G CA 1.178 46.043 45.100 -0.391 0.000 0.771 193 G HN 0.214 nan 8.290 nan 0.000 0.551 194 N N 0.602 119.157 118.700 -0.242 0.000 2.104 194 N HA -0.124 4.616 4.740 0.001 0.000 0.190 194 N C 1.736 177.181 175.510 -0.109 0.000 1.024 194 N CA 1.779 54.719 53.050 -0.184 0.000 0.853 194 N CB -0.128 38.325 38.487 -0.057 0.000 1.008 194 N HN 0.176 nan 8.380 nan 0.000 0.424 195 D N 0.066 120.443 120.400 -0.038 0.000 2.084 195 D HA -0.155 4.485 4.640 0.001 0.000 0.194 195 D C 1.937 178.213 176.300 -0.039 0.000 0.990 195 D CA 0.702 54.703 54.000 0.002 0.000 0.826 195 D CB -0.583 40.221 40.800 0.006 0.000 0.971 195 D HN 0.263 nan 8.370 nan 0.000 0.453 196 L N -0.114 121.053 121.223 -0.092 0.000 2.042 196 L HA -0.204 4.137 4.340 0.001 0.000 0.210 196 L C 2.278 179.102 176.870 -0.075 0.000 1.076 196 L CA 1.521 56.278 54.840 -0.138 0.000 0.749 196 L CB -0.697 41.201 42.059 -0.268 0.000 0.893 196 L HN 0.020 nan 8.230 nan 0.000 0.432 197 Y N 0.059 120.215 120.300 -0.239 0.000 2.114 197 Y HA -0.291 4.260 4.550 0.001 0.000 0.284 197 Y C 2.616 178.411 175.900 -0.174 0.000 1.143 197 Y CA 2.334 60.286 58.100 -0.247 0.000 1.135 197 Y CB -0.732 37.490 38.460 -0.397 0.000 0.980 197 Y HN 0.444 nan 8.280 nan 0.000 0.499 198 H N -1.392 117.607 119.070 -0.119 0.000 2.457 198 H HA -0.086 4.470 4.556 0.001 0.000 0.294 198 H C 2.014 177.253 175.328 -0.148 0.000 1.064 198 H CA 0.970 56.903 56.048 -0.192 0.000 1.330 198 H CB 0.108 29.816 29.762 -0.089 0.000 1.395 198 H HN 0.380 nan 8.280 nan 0.000 0.541 199 E N 1.180 121.379 120.200 -0.001 0.000 2.106 199 E HA -0.143 4.208 4.350 0.001 0.000 0.192 199 E C 1.954 178.516 176.600 -0.062 0.000 0.984 199 E CA 1.225 57.605 56.400 -0.032 0.000 0.806 199 E CB -0.131 29.544 29.700 -0.041 0.000 0.750 199 E HN 0.425 nan 8.360 nan 0.000 0.458 200 M N -0.254 119.294 119.600 -0.087 0.000 2.319 200 M HA 0.019 4.499 4.480 0.001 0.000 0.265 200 M C 2.075 178.315 176.300 -0.100 0.000 1.068 200 M CA 0.907 56.157 55.300 -0.082 0.000 1.118 200 M CB -0.103 32.460 32.600 -0.061 0.000 1.395 200 M HN 0.182 nan 8.290 nan 0.000 0.435 201 I N -0.229 120.244 120.570 -0.162 0.000 2.252 201 I HA -0.230 3.940 4.170 0.001 0.000 0.245 201 I C 2.554 178.616 176.117 -0.091 0.000 1.102 201 I CA 1.006 62.210 61.300 -0.161 0.000 1.385 201 I CB -0.345 37.507 38.000 -0.246 0.000 1.064 201 I HN 0.258 nan 8.210 nan 0.000 0.414 202 E N 0.778 120.935 120.200 -0.072 0.000 2.077 202 E HA -0.185 4.166 4.350 0.001 0.000 0.193 202 E C 2.356 178.930 176.600 -0.043 0.000 0.989 202 E CA 1.854 58.223 56.400 -0.052 0.000 0.800 202 E CB -0.027 29.648 29.700 -0.043 0.000 0.746 202 E HN 0.517 nan 8.360 nan 0.000 0.452 203 S N -1.439 114.235 115.700 -0.043 0.000 2.436 203 S HA 0.079 4.549 4.470 0.001 0.000 0.228 203 S C 1.651 176.234 174.600 -0.027 0.000 1.014 203 S CA 0.960 59.140 58.200 -0.033 0.000 0.950 203 S CB 0.344 63.523 63.200 -0.033 0.000 0.784 203 S HN 0.315 nan 8.310 nan 0.000 0.504 204 G N 0.635 109.416 108.800 -0.032 0.000 2.141 204 G HA2 -0.296 3.664 3.960 0.001 0.000 0.231 204 G HA3 -0.296 3.664 3.960 0.001 0.000 0.231 204 G C 0.777 175.672 174.900 -0.008 0.000 0.984 204 G CA 0.512 45.599 45.100 -0.022 0.000 0.660 204 G HN 1.377 nan 8.290 nan 0.000 0.525 205 V N -1.903 118.006 119.914 -0.007 0.000 2.809 205 V HA 0.442 4.562 4.120 0.001 0.000 0.256 205 V C 1.262 177.369 176.094 0.022 0.000 1.080 205 V CA 1.277 63.586 62.300 0.014 0.000 1.102 205 V CB -0.126 31.707 31.823 0.018 0.000 0.705 205 V HN 0.452 nan 8.190 nan 0.000 0.475 206 I N 2.249 122.817 120.570 -0.002 0.000 2.362 206 I HA 0.435 4.605 4.170 0.001 0.000 0.289 206 I C -0.500 175.605 176.117 -0.021 0.000 0.994 206 I CA -0.167 61.133 61.300 0.000 0.000 1.158 206 I CB 1.417 39.412 38.000 -0.009 0.000 1.315 206 I HN 0.164 nan 8.210 nan 0.000 0.451 207 N N 6.841 125.542 118.700 0.002 0.000 2.372 207 N HA 0.361 5.101 4.740 0.001 0.000 0.285 207 N C 0.190 175.704 175.510 0.006 0.000 1.008 207 N CA -0.418 52.630 53.050 -0.003 0.000 0.880 207 N CB 2.067 40.558 38.487 0.007 0.000 1.239 207 N HN 0.593 nan 8.380 nan 0.000 0.484 208 L N 2.645 123.866 121.223 -0.003 0.000 2.591 208 L HA 0.095 4.435 4.340 0.001 0.000 0.228 208 L C 1.560 178.439 176.870 0.016 0.000 1.133 208 L CA 0.443 55.291 54.840 0.013 0.000 0.880 208 L CB 0.061 42.124 42.059 0.006 0.000 1.033 208 L HN 0.371 nan 8.230 nan 0.000 0.450 209 K N -1.125 119.281 120.400 0.010 0.000 2.325 209 K HA 0.222 4.542 4.320 0.001 0.000 0.203 209 K C 0.249 176.858 176.600 0.014 0.000 1.128 209 K CA 0.101 56.394 56.287 0.011 0.000 0.931 209 K CB 0.187 32.690 32.500 0.006 0.000 1.125 209 K HN 0.064 nan 8.250 nan 0.000 0.487 210 D N 0.947 121.355 120.400 0.014 0.000 2.414 210 D HA 0.223 4.864 4.640 0.001 0.000 0.251 210 D C 0.256 176.571 176.300 0.024 0.000 1.252 210 D CA -0.078 53.933 54.000 0.018 0.000 0.999 210 D CB 0.640 41.451 40.800 0.018 0.000 1.093 210 D HN 0.114 nan 8.370 nan 0.000 0.515 211 A N -0.392 122.446 122.820 0.029 0.000 2.610 211 A HA 0.153 4.474 4.320 0.001 0.000 0.286 211 A C 1.033 178.647 177.584 0.051 0.000 1.306 211 A CA -0.172 51.887 52.037 0.037 0.000 0.942 211 A CB -0.621 18.402 19.000 0.037 0.000 1.112 211 A HN 0.461 nan 8.150 nan 0.000 0.527 212 T N -2.487 112.094 114.554 0.046 0.000 3.188 212 T HA 0.165 4.515 4.350 0.001 0.000 0.250 212 T C 0.576 175.315 174.700 0.065 0.000 1.077 212 T CA 0.133 62.266 62.100 0.055 0.000 0.967 212 T CB -0.392 68.497 68.868 0.036 0.000 1.006 212 T HN 0.153 nan 8.240 nan 0.000 0.552 213 S N 2.175 117.912 115.700 0.062 0.000 2.549 213 S HA 0.207 4.677 4.470 0.001 0.000 0.286 213 S C 1.063 175.723 174.600 0.101 0.000 1.314 213 S CA -0.613 57.625 58.200 0.064 0.000 1.062 213 S CB 0.852 64.083 63.200 0.052 0.000 0.865 213 S HN 0.281 nan 8.310 nan 0.000 0.498 214 K N 1.221 121.687 120.400 0.109 0.000 2.354 214 K HA 0.192 4.512 4.320 0.001 0.000 0.194 214 K C -0.020 176.663 176.600 0.138 0.000 1.045 214 K CA 0.382 56.776 56.287 0.177 0.000 1.026 214 K CB 0.409 32.989 32.500 0.133 0.000 0.866 214 K HN 0.414 nan 8.250 nan 0.000 0.530 215 V N 1.365 121.334 119.914 0.092 0.000 2.513 215 V HA 0.544 4.664 4.120 0.001 0.000 0.299 215 V C -0.274 175.875 176.094 0.092 0.000 1.035 215 V CA -1.339 61.020 62.300 0.100 0.000 0.889 215 V CB 1.573 33.468 31.823 0.120 0.000 0.988 215 V HN 0.091 nan 8.190 nan 0.000 0.440 216 A N 5.413 128.297 122.820 0.107 0.000 2.312 216 A HA 0.902 5.222 4.320 0.001 0.000 0.326 216 A C -0.804 176.878 177.584 0.163 0.000 1.172 216 A CA -0.536 51.580 52.037 0.132 0.000 0.821 216 A CB 0.711 19.817 19.000 0.178 0.000 1.166 216 A HN 0.812 nan 8.150 nan 0.000 0.493 217 L N 2.459 123.778 121.223 0.161 0.000 2.341 217 L HA 0.656 4.997 4.340 0.001 0.000 0.278 217 L C -1.031 175.935 176.870 0.159 0.000 1.005 217 L CA -0.868 54.099 54.840 0.213 0.000 0.818 217 L CB 1.968 44.213 42.059 0.310 0.000 1.259 217 L HN 0.414 nan 8.230 nan 0.000 0.418 218 V N 2.967 122.915 119.914 0.057 0.000 2.577 218 V HA 0.483 4.603 4.120 0.001 0.000 0.303 218 V C -1.352 174.660 176.094 -0.137 0.000 1.042 218 V CA -0.648 61.654 62.300 0.004 0.000 0.872 218 V CB 1.949 33.743 31.823 -0.048 0.000 0.998 218 V HN 0.461 nan 8.190 nan 0.000 0.423 219 Y N 1.557 121.874 120.300 0.028 0.000 2.421 219 Y HA 0.741 5.291 4.550 0.001 0.000 0.339 219 Y C 0.499 176.407 175.900 0.013 0.000 0.996 219 Y CA -0.629 57.492 58.100 0.034 0.000 1.046 219 Y CB 2.856 41.332 38.460 0.026 0.000 1.226 219 Y HN 0.713 nan 8.280 nan 0.000 0.445 220 G N 3.831 112.721 108.800 0.151 0.000 3.446 220 G HA2 0.317 4.277 3.960 0.001 0.000 0.314 220 G HA3 0.317 4.277 3.960 0.001 0.000 0.314 220 G C -0.970 173.986 174.900 0.093 0.000 1.539 220 G CA -0.535 44.623 45.100 0.096 0.000 0.848 220 G HN 0.327 nan 8.290 nan 0.000 0.488 221 Q N 0.993 120.863 119.800 0.116 0.000 2.179 221 Q HA 0.294 4.634 4.340 0.001 0.000 0.174 221 Q C 1.921 177.955 176.000 0.058 0.000 1.044 221 Q CA -0.719 55.150 55.803 0.109 0.000 1.105 221 Q CB 0.630 29.449 28.738 0.135 0.000 1.213 221 Q HN 0.704 nan 8.270 nan 0.000 0.574 222 M N -1.007 118.621 119.600 0.048 0.000 2.682 222 M HA 0.064 4.544 4.480 0.001 0.000 0.235 222 M C 0.569 176.880 176.300 0.017 0.000 1.114 222 M CA 1.056 56.370 55.300 0.023 0.000 1.053 222 M CB -0.783 31.826 32.600 0.015 0.000 1.599 222 M HN 0.504 nan 8.290 nan 0.000 0.520 223 N N -0.292 118.421 118.700 0.021 0.000 2.336 223 N HA 0.069 4.809 4.740 0.001 0.000 0.189 223 N C -0.298 175.220 175.510 0.012 0.000 1.113 223 N CA -0.264 52.794 53.050 0.014 0.000 0.858 223 N CB 0.257 38.751 38.487 0.011 0.000 0.970 223 N HN 0.341 nan 8.380 nan 0.000 0.471 224 E N 1.739 121.948 120.200 0.015 0.000 2.248 224 E HA 0.295 4.646 4.350 0.001 0.000 0.272 224 E C -2.322 174.279 176.600 0.003 0.000 1.008 224 E CA -2.086 54.322 56.400 0.012 0.000 0.856 224 E CB 1.290 31.003 29.700 0.020 0.000 1.120 224 E HN 0.174 nan 8.360 nan 0.000 0.397 225 P HA 0.101 nan 4.420 nan 0.000 0.274 225 P C -2.017 175.275 177.300 -0.013 0.000 1.246 225 P CA -1.229 61.867 63.100 -0.006 0.000 0.795 225 P CB 0.355 32.053 31.700 -0.003 0.000 1.006 226 P HA -0.175 nan 4.420 nan 0.000 0.216 226 P C 1.678 178.952 177.300 -0.043 0.000 1.150 226 P CA 1.896 64.969 63.100 -0.044 0.000 0.837 226 P CB -0.693 30.975 31.700 -0.053 0.000 0.786 227 G N 0.458 109.243 108.800 -0.025 0.000 2.442 227 G HA2 -0.245 3.715 3.960 0.001 0.000 0.219 227 G HA3 -0.245 3.715 3.960 0.001 0.000 0.219 227 G C 1.801 176.701 174.900 -0.001 0.000 1.141 227 G CA 1.151 46.243 45.100 -0.013 0.000 0.763 227 G HN 0.389 nan 8.290 nan 0.000 0.554 228 A N 0.573 123.395 122.820 0.003 0.000 1.872 228 A HA 0.090 4.410 4.320 0.001 0.000 0.214 228 A C 2.417 180.009 177.584 0.013 0.000 1.187 228 A CA 1.436 53.480 52.037 0.013 0.000 0.614 228 A CB -0.358 18.651 19.000 0.015 0.000 0.826 228 A HN 0.318 nan 8.150 nan 0.000 0.442 229 R N -0.560 119.941 120.500 0.001 0.000 2.120 229 R HA -0.055 4.286 4.340 0.001 0.000 0.234 229 R C 2.174 178.479 176.300 0.009 0.000 1.123 229 R CA 1.043 57.144 56.100 0.001 0.000 0.975 229 R CB -0.326 29.962 30.300 -0.021 0.000 0.866 229 R HN 0.505 nan 8.270 nan 0.000 0.446 230 A N 0.381 123.184 122.820 -0.029 0.000 2.167 230 A HA -0.020 4.300 4.320 0.001 0.000 0.214 230 A C 1.693 179.345 177.584 0.113 0.000 1.151 230 A CA 0.762 52.759 52.037 -0.068 0.000 0.735 230 A CB 0.107 19.000 19.000 -0.179 0.000 0.802 230 A HN 0.084 nan 8.150 nan 0.000 0.467 231 R N -0.983 119.566 120.500 0.083 0.000 2.369 231 R HA 0.075 4.415 4.340 0.001 0.000 0.210 231 R C 1.862 178.174 176.300 0.020 0.000 0.881 231 R CA 1.192 57.331 56.100 0.065 0.000 1.031 231 R CB -0.698 29.623 30.300 0.035 0.000 1.184 231 R HN 0.434 nan 8.270 nan 0.000 0.581 232 V N 0.711 120.637 119.914 0.020 0.000 2.317 232 V HA -0.245 3.876 4.120 0.001 0.000 0.251 232 V C 2.542 178.602 176.094 -0.057 0.000 1.065 232 V CA 2.103 64.394 62.300 -0.016 0.000 1.049 232 V CB -1.405 30.409 31.823 -0.014 0.000 0.651 232 V HN 0.187 nan 8.190 nan 0.000 0.450 233 A N 0.881 123.670 122.820 -0.052 0.000 1.917 233 A HA -0.149 4.171 4.320 0.001 0.000 0.219 233 A C 2.277 179.763 177.584 -0.164 0.000 1.182 233 A CA 2.351 54.305 52.037 -0.139 0.000 0.633 233 A CB -0.690 18.187 19.000 -0.204 0.000 0.819 233 A HN 0.571 nan 8.150 nan 0.000 0.448 234 L N -0.801 120.336 121.223 -0.142 0.000 2.042 234 L HA -0.185 4.156 4.340 0.001 0.000 0.210 234 L C 2.794 179.581 176.870 -0.139 0.000 1.076 234 L CA 1.848 56.588 54.840 -0.166 0.000 0.749 234 L CB -1.290 40.641 42.059 -0.213 0.000 0.893 234 L HN 0.377 nan 8.230 nan 0.000 0.432 235 T N -0.142 114.347 114.554 -0.109 0.000 2.708 235 T HA -0.136 4.215 4.350 0.001 0.000 0.266 235 T C 1.874 176.528 174.700 -0.077 0.000 1.037 235 T CA 1.460 63.512 62.100 -0.081 0.000 1.146 235 T CB -0.643 68.193 68.868 -0.053 0.000 0.865 235 T HN 0.556 nan 8.240 nan 0.000 0.435 236 G N 1.366 110.112 108.800 -0.089 0.000 2.422 236 G HA2 -0.122 3.838 3.960 0.001 0.000 0.218 236 G HA3 -0.122 3.838 3.960 0.001 0.000 0.218 236 G C 1.531 176.386 174.900 -0.075 0.000 1.146 236 G CA 0.651 45.699 45.100 -0.086 0.000 0.769 236 G HN 0.517 nan 8.290 nan 0.000 0.547 237 L N 0.334 121.496 121.223 -0.103 0.000 2.156 237 L HA -0.012 4.329 4.340 0.001 0.000 0.208 237 L C 2.662 179.494 176.870 -0.063 0.000 1.095 237 L CA 1.902 56.684 54.840 -0.096 0.000 0.770 237 L CB -0.543 41.433 42.059 -0.139 0.000 0.914 237 L HN 0.161 nan 8.230 nan 0.000 0.439 238 T N -0.011 114.501 114.554 -0.069 0.000 2.746 238 T HA -0.144 4.207 4.350 0.001 0.000 0.267 238 T C 1.996 176.667 174.700 -0.049 0.000 1.039 238 T CA 1.564 63.631 62.100 -0.055 0.000 1.142 238 T CB -0.292 68.538 68.868 -0.063 0.000 0.866 238 T HN 0.250 nan 8.240 nan 0.000 0.444 239 V N 1.869 121.751 119.914 -0.053 0.000 2.332 239 V HA -0.218 3.902 4.120 0.001 0.000 0.248 239 V C 2.885 178.997 176.094 0.031 0.000 1.055 239 V CA 1.814 64.077 62.300 -0.061 0.000 1.038 239 V CB -1.242 30.588 31.823 0.011 0.000 0.651 239 V HN 0.539 nan 8.190 nan 0.000 0.450 240 A N -0.561 122.318 122.820 0.099 0.000 1.930 240 A HA -0.214 4.106 4.320 0.001 0.000 0.217 240 A C 2.191 179.855 177.584 0.133 0.000 1.175 240 A CA 1.702 53.847 52.037 0.180 0.000 0.627 240 A CB -0.441 18.604 19.000 0.074 0.000 0.815 240 A HN 0.620 nan 8.150 nan 0.000 0.443 241 E N -1.590 118.636 120.200 0.043 0.000 2.110 241 E HA -0.215 4.135 4.350 0.001 0.000 0.193 241 E C 1.805 178.408 176.600 0.005 0.000 0.988 241 E CA 1.403 57.812 56.400 0.015 0.000 0.804 241 E CB -0.324 29.370 29.700 -0.011 0.000 0.745 241 E HN 0.803 nan 8.360 nan 0.000 0.458 242 Y N 0.611 120.817 120.300 -0.156 0.000 2.070 242 Y HA -0.299 4.251 4.550 0.001 0.000 0.280 242 Y C 1.899 177.695 175.900 -0.173 0.000 1.148 242 Y CA 1.853 59.806 58.100 -0.245 0.000 1.125 242 Y CB -0.462 37.714 38.460 -0.473 0.000 0.975 242 Y HN -0.037 nan 8.280 nan 0.000 0.492 243 F N 0.030 120.114 119.950 0.223 0.000 2.126 243 F HA -0.230 4.297 4.527 0.000 0.000 0.299 243 F C 2.795 178.622 175.800 0.046 0.000 1.096 243 F CA 1.590 59.696 58.000 0.177 0.000 1.255 243 F CB -0.474 38.672 39.000 0.243 0.000 0.997 243 F HN -0.027 nan 8.300 nan 0.000 0.479 244 R N 0.602 121.213 120.500 0.185 0.000 2.080 244 R HA -0.183 4.157 4.340 0.001 0.000 0.236 244 R C 1.656 177.954 176.300 -0.003 0.000 1.137 244 R CA 2.306 58.453 56.100 0.080 0.000 0.943 244 R CB -0.309 30.016 30.300 0.042 0.000 0.846 244 R HN 0.196 nan 8.270 nan 0.000 0.431 245 D N -0.158 120.194 120.400 -0.081 0.000 2.202 245 D HA -0.062 4.579 4.640 0.001 0.000 0.214 245 D C 1.334 177.519 176.300 -0.193 0.000 0.967 245 D CA 0.817 54.744 54.000 -0.121 0.000 0.871 245 D CB -0.138 40.589 40.800 -0.121 0.000 1.020 245 D HN 0.217 nan 8.370 nan 0.000 0.474 246 Q N 0.404 119.961 119.800 -0.405 0.000 2.253 246 Q HA 0.102 4.443 4.340 0.001 0.000 0.210 246 Q C 0.308 176.105 176.000 -0.338 0.000 0.907 246 Q CA 0.414 55.913 55.803 -0.506 0.000 0.948 246 Q CB 0.975 29.091 28.738 -1.038 0.000 1.033 246 Q HN 0.325 nan 8.270 nan 0.000 0.471 247 E N -0.987 119.128 120.200 -0.143 0.000 2.629 247 E HA 0.166 4.516 4.350 0.001 0.000 0.203 247 E C 0.436 177.054 176.600 0.030 0.000 0.939 247 E CA 0.513 56.929 56.400 0.027 0.000 1.439 247 E CB 0.636 30.466 29.700 0.217 0.000 1.490 247 E HN 0.324 nan 8.360 nan 0.000 0.804 248 G N 1.957 110.755 108.800 -0.004 0.000 2.356 248 G HA2 -0.310 3.651 3.960 0.001 0.000 0.296 248 G HA3 -0.310 3.651 3.960 0.001 0.000 0.296 248 G C 0.082 174.993 174.900 0.018 0.000 1.022 248 G CA 1.091 46.190 45.100 -0.001 0.000 0.961 248 G HN 0.133 nan 8.290 nan 0.000 0.510 249 Q N -0.612 119.219 119.800 0.052 0.000 2.378 249 Q HA 0.562 4.902 4.340 0.001 0.000 0.276 249 Q C -0.549 175.487 176.000 0.060 0.000 1.083 249 Q CA -0.936 54.898 55.803 0.051 0.000 0.856 249 Q CB 0.994 29.783 28.738 0.084 0.000 1.383 249 Q HN 0.190 nan 8.270 nan 0.000 0.458 250 D N 0.351 120.776 120.400 0.043 0.000 2.336 250 D HA 0.292 4.932 4.640 0.001 0.000 0.249 250 D C -0.921 175.498 176.300 0.198 0.000 1.213 250 D CA 0.115 54.180 54.000 0.109 0.000 0.870 250 D CB 0.588 41.461 40.800 0.121 0.000 1.076 250 D HN 0.099 nan 8.370 nan 0.000 0.483 251 V N 3.400 123.396 119.914 0.136 0.000 2.581 251 V HA 0.432 4.552 4.120 0.001 0.000 0.303 251 V C 0.263 176.332 176.094 -0.041 0.000 1.041 251 V CA -0.920 61.445 62.300 0.109 0.000 0.907 251 V CB 1.742 33.643 31.823 0.130 0.000 0.994 251 V HN 0.311 nan 8.190 nan 0.000 0.442 252 L N 4.864 126.018 121.223 -0.115 0.000 2.317 252 L HA 0.650 4.991 4.340 0.001 0.000 0.281 252 L C -0.807 175.912 176.870 -0.251 0.000 1.024 252 L CA -0.578 54.084 54.840 -0.298 0.000 0.810 252 L CB 1.646 43.505 42.059 -0.333 0.000 1.240 252 L HN 0.471 nan 8.230 nan 0.000 0.427 253 L N 3.679 124.636 121.223 -0.443 0.000 2.406 253 L HA 0.570 4.911 4.340 0.001 0.000 0.270 253 L C -1.360 175.199 176.870 -0.518 0.000 0.982 253 L CA 0.115 54.766 54.840 -0.315 0.000 0.843 253 L CB 1.090 43.029 42.059 -0.201 0.000 1.225 253 L HN 0.210 nan 8.230 nan 0.000 0.412 254 F N 5.709 125.573 119.950 -0.144 0.000 2.421 254 F HA 0.643 5.170 4.527 0.001 0.000 0.337 254 F C 0.097 175.595 175.800 -0.503 0.000 1.105 254 F CA -0.506 57.362 58.000 -0.220 0.000 1.049 254 F CB 1.498 40.488 39.000 -0.017 0.000 1.139 254 F HN 0.219 nan 8.300 nan 0.000 0.479 255 I N 2.710 123.103 120.570 -0.295 0.000 2.468 255 I HA 0.253 4.423 4.170 0.001 0.000 0.285 255 I C -1.367 174.572 176.117 -0.296 0.000 1.039 255 I CA -0.516 60.539 61.300 -0.409 0.000 1.074 255 I CB 1.830 39.658 38.000 -0.287 0.000 1.228 255 I HN 0.435 nan 8.210 nan 0.000 0.436 256 D N 6.472 126.660 120.400 -0.353 0.000 2.469 256 D HA 0.286 4.926 4.640 0.001 0.000 0.251 256 D C -1.263 175.014 176.300 -0.038 0.000 1.173 256 D CA -0.157 53.800 54.000 -0.073 0.000 0.882 256 D CB 1.307 42.188 40.800 0.137 0.000 1.129 256 D HN 0.435 nan 8.370 nan 0.000 0.549 257 N N 4.399 123.101 118.700 0.002 0.000 2.352 257 N HA 0.139 4.879 4.740 0.001 0.000 0.291 257 N C 0.516 176.049 175.510 0.038 0.000 1.040 257 N CA -0.495 52.578 53.050 0.037 0.000 0.864 257 N CB 1.627 40.189 38.487 0.124 0.000 1.440 257 N HN 0.250 nan 8.380 nan 0.000 0.483 258 I N 3.927 124.492 120.570 -0.007 0.000 2.614 258 I HA -0.064 4.106 4.170 0.001 0.000 0.258 258 I C 1.667 177.843 176.117 0.098 0.000 1.189 258 I CA 0.655 61.941 61.300 -0.023 0.000 1.462 258 I CB -0.584 37.334 38.000 -0.138 0.000 1.092 258 I HN 0.621 nan 8.210 nan 0.000 0.442 259 F N 1.378 121.347 119.950 0.031 0.000 2.161 259 F HA -0.239 4.288 4.527 0.001 0.000 0.300 259 F C 2.324 178.201 175.800 0.127 0.000 1.089 259 F CA 1.471 59.533 58.000 0.103 0.000 1.282 259 F CB -0.357 38.741 39.000 0.164 0.000 1.010 259 F HN -0.033 nan 8.300 nan 0.000 0.485 260 R N 0.200 120.685 120.500 -0.025 0.000 2.139 260 R HA -0.236 4.104 4.340 0.001 0.000 0.243 260 R C 2.197 178.405 176.300 -0.153 0.000 1.145 260 R CA 1.641 57.658 56.100 -0.137 0.000 0.976 260 R CB -1.947 28.359 30.300 0.010 0.000 0.866 260 R HN 0.521 nan 8.270 nan 0.000 0.449 261 F N 1.583 121.416 119.950 -0.196 0.000 2.095 261 F HA -0.232 4.295 4.527 0.001 0.000 0.298 261 F C 2.024 177.712 175.800 -0.187 0.000 1.104 261 F CA 1.957 59.859 58.000 -0.163 0.000 1.232 261 F CB -0.427 38.492 39.000 -0.134 0.000 0.987 261 F HN -0.086 nan 8.300 nan 0.000 0.475 262 T N -0.020 114.387 114.554 -0.244 0.000 2.857 262 T HA -0.199 4.151 4.350 0.001 0.000 0.266 262 T C 1.867 176.363 174.700 -0.341 0.000 1.048 262 T CA 1.398 63.301 62.100 -0.329 0.000 1.139 262 T CB -0.313 68.492 68.868 -0.106 0.000 0.874 262 T HN 0.441 nan 8.240 nan 0.000 0.455 263 Q N 0.533 119.997 119.800 -0.559 0.000 2.084 263 Q HA -0.112 4.228 4.340 0.001 0.000 0.202 263 Q C 2.490 178.348 176.000 -0.236 0.000 0.978 263 Q CA 1.529 57.090 55.803 -0.402 0.000 0.844 263 Q CB -0.271 28.132 28.738 -0.558 0.000 0.898 263 Q HN 0.535 nan 8.270 nan 0.000 0.426 264 A N 0.442 123.104 122.820 -0.264 0.000 1.883 264 A HA -0.146 4.174 4.320 0.001 0.000 0.217 264 A C 2.299 179.756 177.584 -0.213 0.000 1.186 264 A CA 1.723 53.639 52.037 -0.201 0.000 0.624 264 A CB -1.513 17.377 19.000 -0.183 0.000 0.822 264 A HN 0.609 nan 8.150 nan 0.000 0.444 265 G N -0.494 108.109 108.800 -0.329 0.000 2.469 265 G HA2 -0.285 3.676 3.960 0.001 0.000 0.220 265 G HA3 -0.285 3.676 3.960 0.001 0.000 0.220 265 G C 1.962 176.778 174.900 -0.139 0.000 1.136 265 G CA 1.876 46.807 45.100 -0.282 0.000 0.759 265 G HN 0.769 nan 8.290 nan 0.000 0.562 266 S N 0.382 116.023 115.700 -0.097 0.000 2.382 266 S HA -0.096 4.374 4.470 0.001 0.000 0.228 266 S C 2.138 176.703 174.600 -0.058 0.000 1.027 266 S CA 1.789 59.970 58.200 -0.031 0.000 0.991 266 S CB -0.324 62.876 63.200 0.000 0.000 0.823 266 S HN 0.584 nan 8.310 nan 0.000 0.469 267 E N 0.356 120.511 120.200 -0.075 0.000 2.150 267 E HA -0.078 4.272 4.350 0.001 0.000 0.193 267 E C 2.062 178.634 176.600 -0.047 0.000 0.985 267 E CA 1.464 57.829 56.400 -0.059 0.000 0.814 267 E CB -0.141 29.523 29.700 -0.059 0.000 0.752 267 E HN 0.700 nan 8.360 nan 0.000 0.466 268 V N -2.499 117.383 119.914 -0.053 0.000 3.590 268 V HA 0.087 4.208 4.120 0.001 0.000 0.265 268 V C 2.037 178.113 176.094 -0.029 0.000 1.239 268 V CA 0.873 63.150 62.300 -0.039 0.000 1.117 268 V CB 0.642 32.440 31.823 -0.042 0.000 0.818 268 V HN 0.055 nan 8.190 nan 0.000 0.451 269 S N 1.338 117.020 115.700 -0.030 0.000 2.368 269 S HA -0.096 4.374 4.470 0.001 0.000 0.225 269 S C 2.160 176.755 174.600 -0.008 0.000 1.030 269 S CA 1.930 60.120 58.200 -0.017 0.000 0.999 269 S CB -0.403 62.793 63.200 -0.007 0.000 0.844 269 S HN 0.943 nan 8.310 nan 0.000 0.459 270 A N 1.298 124.112 122.820 -0.010 0.000 1.930 270 A HA 0.107 4.427 4.320 0.001 0.000 0.217 270 A C 2.112 179.692 177.584 -0.005 0.000 1.175 270 A CA 1.207 53.240 52.037 -0.007 0.000 0.627 270 A CB -0.689 18.305 19.000 -0.010 0.000 0.815 270 A HN 0.582 nan 8.150 nan 0.000 0.443 271 L N -0.663 120.554 121.223 -0.009 0.000 2.201 271 L HA -0.088 4.253 4.340 0.001 0.000 0.212 271 L C 1.968 178.837 176.870 -0.002 0.000 1.105 271 L CA 0.616 55.452 54.840 -0.006 0.000 0.775 271 L CB -0.490 41.564 42.059 -0.008 0.000 0.913 271 L HN 0.329 nan 8.230 nan 0.000 0.440 272 L N 0.045 121.266 121.223 -0.003 0.000 2.610 272 L HA 0.091 4.432 4.340 0.001 0.000 0.232 272 L C 1.347 178.220 176.870 0.005 0.000 1.149 272 L CA 0.506 55.347 54.840 0.001 0.000 0.872 272 L CB -0.553 41.505 42.059 -0.002 0.000 0.992 272 L HN 0.509 nan 8.230 nan 0.000 0.447 273 G N 0.759 109.561 108.800 0.004 0.000 2.160 273 G HA2 -0.279 3.681 3.960 0.001 0.000 0.244 273 G HA3 -0.279 3.681 3.960 0.001 0.000 0.244 273 G C 0.064 174.968 174.900 0.007 0.000 1.022 273 G CA -0.196 44.908 45.100 0.006 0.000 0.741 273 G HN 0.291 nan 8.290 nan 0.000 0.508 274 R N -0.570 119.934 120.500 0.007 0.000 2.410 274 R HA 0.645 4.985 4.340 0.001 0.000 0.288 274 R C 1.126 177.433 176.300 0.012 0.000 1.051 274 R CA -0.660 55.447 56.100 0.010 0.000 1.021 274 R CB 0.707 31.014 30.300 0.012 0.000 1.032 274 R HN 0.327 nan 8.270 nan 0.000 0.481 275 I N 5.537 126.116 120.570 0.015 0.000 2.618 275 I HA 0.079 4.250 4.170 0.001 0.000 0.284 275 I C -1.516 174.615 176.117 0.023 0.000 1.146 275 I CA -1.365 59.945 61.300 0.017 0.000 1.425 275 I CB 0.485 38.495 38.000 0.017 0.000 1.383 275 I HN 0.381 nan 8.210 nan 0.000 0.562 276 P HA 0.111 nan 4.420 nan 0.000 0.274 276 P C -0.445 176.885 177.300 0.049 0.000 1.246 276 P CA -0.310 62.812 63.100 0.036 0.000 0.795 276 P CB 1.426 33.141 31.700 0.026 0.000 1.006 277 S N 0.073 115.818 115.700 0.075 0.000 2.618 277 S HA 0.643 5.114 4.470 0.001 0.000 0.284 277 S C -0.158 174.505 174.600 0.106 0.000 1.102 277 S CA -0.464 57.787 58.200 0.085 0.000 0.984 277 S CB 0.095 63.353 63.200 0.095 0.000 1.280 277 S HN 0.606 nan 8.310 nan 0.000 0.525 278 A N 0.448 123.341 122.820 0.123 0.000 2.511 278 A HA 0.439 4.759 4.320 0.001 0.000 0.242 278 A C 0.949 178.652 177.584 0.199 0.000 1.069 278 A CA 0.354 52.471 52.037 0.133 0.000 0.763 278 A CB -0.793 18.279 19.000 0.120 0.000 1.001 278 A HN 1.642 nan 8.150 nan 0.000 0.498 279 V N 1.050 121.042 119.914 0.130 0.000 3.525 279 V HA -0.316 3.805 4.120 0.001 0.000 0.200 279 V C 1.724 177.800 176.094 -0.029 0.000 0.451 279 V CA 1.557 63.906 62.300 0.082 0.000 1.037 279 V CB -2.558 29.360 31.823 0.158 0.000 1.164 279 V HN 2.915 nan 8.190 nan 0.000 1.195 280 G N -2.448 106.357 108.800 0.009 0.000 2.162 280 G HA2 -0.355 3.606 3.960 0.001 0.000 0.260 280 G HA3 -0.355 3.606 3.960 0.001 0.000 0.260 280 G C -0.070 174.804 174.900 -0.044 0.000 0.976 280 G CA 0.426 45.504 45.100 -0.037 0.000 0.655 280 G HN 0.906 nan 8.290 nan 0.000 0.533 281 Y N 1.744 122.063 120.300 0.032 0.000 2.357 281 Y HA 0.321 4.871 4.550 0.001 0.000 0.340 281 Y C 1.578 177.483 175.900 0.008 0.000 1.260 281 Y CA -0.066 58.047 58.100 0.022 0.000 1.425 281 Y CB 0.489 38.974 38.460 0.042 0.000 1.326 281 Y HN 0.423 nan 8.280 nan 0.000 0.580 282 Q N 2.824 122.745 119.800 0.201 0.000 2.369 282 Q HA -0.032 4.308 4.340 0.001 0.000 0.295 282 Q C -2.436 173.615 176.000 0.085 0.000 1.075 282 Q CA -1.218 54.642 55.803 0.095 0.000 0.941 282 Q CB 0.389 29.154 28.738 0.045 0.000 1.260 282 Q HN 0.396 nan 8.270 nan 0.000 0.417 283 P HA -0.012 nan 4.420 nan 0.000 0.241 283 P C 0.682 178.004 177.300 0.037 0.000 1.191 283 P CA 1.049 64.177 63.100 0.048 0.000 0.771 283 P CB 0.094 31.816 31.700 0.037 0.000 0.929 284 T N -4.232 110.341 114.554 0.032 0.000 3.145 284 T HA 0.177 4.527 4.350 0.001 0.000 0.255 284 T C 1.431 176.149 174.700 0.031 0.000 1.039 284 T CA -0.302 61.816 62.100 0.028 0.000 0.928 284 T CB -0.911 67.970 68.868 0.021 0.000 1.029 284 T HN -0.034 nan 8.240 nan 0.000 0.554 285 L N 1.091 122.327 121.223 0.022 0.000 2.021 285 L HA -0.116 4.225 4.340 0.001 0.000 0.215 285 L C 2.751 179.647 176.870 0.043 0.000 1.074 285 L CA 2.068 56.910 54.840 0.003 0.000 0.760 285 L CB -0.591 41.428 42.059 -0.068 0.000 0.889 285 L HN 0.416 nan 8.230 nan 0.000 0.433 286 A N -0.999 121.851 122.820 0.050 0.000 1.897 286 A HA -0.166 4.154 4.320 0.001 0.000 0.215 286 A C 2.336 179.982 177.584 0.103 0.000 1.181 286 A CA 1.807 53.894 52.037 0.085 0.000 0.620 286 A CB -1.045 17.997 19.000 0.070 0.000 0.821 286 A HN 0.616 nan 8.150 nan 0.000 0.443 287 T N -2.271 112.329 114.554 0.078 0.000 2.857 287 T HA -0.113 4.238 4.350 0.001 0.000 0.266 287 T C 1.336 176.088 174.700 0.088 0.000 1.048 287 T CA 1.370 63.516 62.100 0.076 0.000 1.139 287 T CB -0.418 68.483 68.868 0.054 0.000 0.874 287 T HN 0.311 nan 8.240 nan 0.000 0.455 288 D N 1.120 121.583 120.400 0.105 0.000 2.092 288 D HA -0.074 4.567 4.640 0.001 0.000 0.193 288 D C 2.010 178.445 176.300 0.225 0.000 0.994 288 D CA 1.208 55.312 54.000 0.175 0.000 0.828 288 D CB -0.468 40.426 40.800 0.157 0.000 0.963 288 D HN 0.369 nan 8.370 nan 0.000 0.450 289 M N 0.549 120.267 119.600 0.197 0.000 2.108 289 M HA -0.117 4.363 4.480 0.001 0.000 0.261 289 M C 2.049 178.265 176.300 -0.141 0.000 1.066 289 M CA 2.060 57.385 55.300 0.041 0.000 1.107 289 M CB -0.288 32.345 32.600 0.056 0.000 1.356 289 M HN 0.043 nan 8.290 nan 0.000 0.406 290 G N -0.440 108.366 108.800 0.010 0.000 2.480 290 G HA2 -0.302 3.658 3.960 0.001 0.000 0.216 290 G HA3 -0.302 3.658 3.960 0.001 0.000 0.216 290 G C 1.410 176.309 174.900 -0.003 0.000 1.200 290 G CA 1.738 46.874 45.100 0.061 0.000 0.782 290 G HN 0.596 nan 8.290 nan 0.000 0.554 291 T N -1.700 112.863 114.554 0.015 0.000 2.915 291 T HA -0.046 4.305 4.350 0.001 0.000 0.269 291 T C 2.213 176.885 174.700 -0.046 0.000 1.071 291 T CA 1.607 63.712 62.100 0.009 0.000 1.132 291 T CB -0.142 68.752 68.868 0.043 0.000 0.878 291 T HN 0.146 nan 8.240 nan 0.000 0.479 292 M N 0.443 119.976 119.600 -0.111 0.000 2.134 292 M HA -0.006 4.475 4.480 0.001 0.000 0.262 292 M C 2.300 178.432 176.300 -0.281 0.000 1.076 292 M CA 1.518 56.671 55.300 -0.245 0.000 1.143 292 M CB -0.691 31.613 32.600 -0.493 0.000 1.346 292 M HN 0.192 nan 8.290 nan 0.000 0.421 293 Q N 0.469 120.060 119.800 -0.348 0.000 2.119 293 Q HA -0.125 4.215 4.340 0.001 0.000 0.201 293 Q C 1.753 177.646 176.000 -0.179 0.000 0.972 293 Q CA 1.175 56.757 55.803 -0.368 0.000 0.847 293 Q CB -0.381 27.904 28.738 -0.756 0.000 0.903 293 Q HN 0.567 nan 8.270 nan 0.000 0.433 294 E N 0.378 120.520 120.200 -0.096 0.000 2.338 294 E HA -0.117 4.233 4.350 0.001 0.000 0.197 294 E C 1.734 178.314 176.600 -0.033 0.000 1.007 294 E CA 0.448 56.841 56.400 -0.011 0.000 0.849 294 E CB 0.006 29.727 29.700 0.036 0.000 0.774 294 E HN 0.314 nan 8.360 nan 0.000 0.506 295 R N 0.092 120.551 120.500 -0.069 0.000 2.200 295 R HA 0.146 4.486 4.340 0.001 0.000 0.208 295 R C 0.970 177.223 176.300 -0.078 0.000 1.033 295 R CA 0.196 56.256 56.100 -0.066 0.000 1.000 295 R CB 0.174 30.429 30.300 -0.075 0.000 0.906 295 R HN 0.059 nan 8.270 nan 0.000 0.462 296 I N 1.669 122.176 120.570 -0.105 0.000 2.227 296 I HA 0.049 4.220 4.170 0.001 0.000 0.297 296 I C -0.067 176.000 176.117 -0.083 0.000 1.173 296 I CA 0.238 61.471 61.300 -0.112 0.000 1.356 296 I CB 0.500 38.406 38.000 -0.158 0.000 1.485 296 I HN -0.089 nan 8.210 nan 0.000 0.604 297 T N 2.546 117.063 114.554 -0.063 0.000 2.942 297 T HA 0.255 4.606 4.350 0.001 0.000 0.327 297 T C -0.275 174.400 174.700 -0.042 0.000 1.360 297 T CA -0.366 61.706 62.100 -0.047 0.000 1.055 297 T CB 1.520 70.369 68.868 -0.030 0.000 1.261 297 T HN 0.249 nan 8.240 nan 0.000 0.485 298 T N 3.733 118.263 114.554 -0.040 0.000 2.919 298 T HA 0.531 4.882 4.350 0.001 0.000 0.302 298 T C 0.528 175.207 174.700 -0.036 0.000 1.031 298 T CA -0.099 61.981 62.100 -0.033 0.000 1.127 298 T CB 0.547 69.396 68.868 -0.032 0.000 0.952 298 T HN 0.857 nan 8.240 nan 0.000 0.540 299 T N 0.056 114.590 114.554 -0.033 0.000 2.888 299 T HA 0.480 4.830 4.350 0.001 0.000 0.288 299 T C 1.106 175.782 174.700 -0.040 0.000 1.063 299 T CA -1.133 60.942 62.100 -0.041 0.000 1.010 299 T CB 1.535 70.381 68.868 -0.037 0.000 1.214 299 T HN 0.380 nan 8.240 nan 0.000 0.533 300 K N 0.076 120.447 120.400 -0.047 0.000 2.103 300 K HA -0.102 4.219 4.320 0.001 0.000 0.207 300 K C 2.203 178.783 176.600 -0.032 0.000 1.048 300 K CA 1.332 57.593 56.287 -0.042 0.000 0.930 300 K CB -0.142 32.330 32.500 -0.048 0.000 0.716 300 K HN 0.521 nan 8.250 nan 0.000 0.444 301 K N -0.095 120.286 120.400 -0.031 0.000 2.148 301 K HA -0.059 4.261 4.320 0.001 0.000 0.204 301 K C 0.489 177.077 176.600 -0.020 0.000 1.050 301 K CA 1.027 57.297 56.287 -0.028 0.000 0.942 301 K CB 0.253 32.733 32.500 -0.033 0.000 0.724 301 K HN 0.253 nan 8.250 nan 0.000 0.446 302 G N -0.791 107.999 108.800 -0.016 0.000 2.579 302 G HA2 0.180 4.140 3.960 0.001 0.000 0.292 302 G HA3 0.180 4.140 3.960 0.001 0.000 0.292 302 G C -1.754 173.145 174.900 -0.002 0.000 1.484 302 G CA -0.666 44.432 45.100 -0.003 0.000 0.813 302 G HN -0.005 nan 8.290 nan 0.000 0.515 303 S N -0.030 115.676 115.700 0.009 0.000 2.442 303 S HA 0.709 5.180 4.470 0.001 0.000 0.297 303 S C -0.122 174.482 174.600 0.006 0.000 1.131 303 S CA -0.689 57.513 58.200 0.004 0.000 1.092 303 S CB 0.331 63.537 63.200 0.011 0.000 0.998 303 S HN 0.507 nan 8.310 nan 0.000 0.478 304 I N 4.488 125.045 120.570 -0.021 0.000 2.355 304 I HA 0.235 4.405 4.170 0.001 0.000 0.288 304 I C -0.099 175.963 176.117 -0.092 0.000 0.999 304 I CA -0.536 60.734 61.300 -0.049 0.000 1.163 304 I CB 1.901 39.868 38.000 -0.055 0.000 1.316 304 I HN 0.530 nan 8.210 nan 0.000 0.454 305 T N 4.628 119.104 114.554 -0.130 0.000 2.727 305 T HA 0.266 4.617 4.350 0.001 0.000 0.298 305 T C 0.215 174.739 174.700 -0.294 0.000 0.942 305 T CA -0.493 61.497 62.100 -0.183 0.000 0.997 305 T CB 0.461 69.220 68.868 -0.182 0.000 0.917 305 T HN 0.692 nan 8.240 nan 0.000 0.487 306 S N 2.299 117.833 115.700 -0.277 0.000 2.472 306 S HA 0.741 5.212 4.470 0.001 0.000 0.303 306 S C -0.598 173.792 174.600 -0.350 0.000 1.099 306 S CA -0.802 57.199 58.200 -0.332 0.000 1.077 306 S CB 1.395 64.451 63.200 -0.241 0.000 1.031 306 S HN 0.373 nan 8.310 nan 0.000 0.487 307 V N 3.235 122.909 119.914 -0.400 0.000 2.443 307 V HA 0.468 4.588 4.120 0.001 0.000 0.293 307 V C -0.670 175.323 176.094 -0.169 0.000 1.021 307 V CA -0.504 61.635 62.300 -0.268 0.000 0.848 307 V CB 1.262 32.987 31.823 -0.164 0.000 0.998 307 V HN 0.970 nan 8.190 nan 0.000 0.424 308 Q N 3.107 122.804 119.800 -0.171 0.000 2.339 308 Q HA 0.693 5.033 4.340 0.001 0.000 0.268 308 Q C -0.149 175.758 176.000 -0.155 0.000 1.027 308 Q CA -0.507 55.193 55.803 -0.172 0.000 0.759 308 Q CB 2.432 31.040 28.738 -0.217 0.000 1.244 308 Q HN 0.911 nan 8.270 nan 0.000 0.464 309 A N 3.875 126.643 122.820 -0.086 0.000 2.450 309 A HA 0.443 4.764 4.320 0.001 0.000 0.255 309 A C -0.302 177.224 177.584 -0.097 0.000 1.096 309 A CA -0.016 51.988 52.037 -0.055 0.000 0.778 309 A CB -0.007 19.016 19.000 0.038 0.000 1.031 309 A HN 0.754 nan 8.150 nan 0.000 0.494 310 I N 2.955 123.416 120.570 -0.181 0.000 2.448 310 I HA 0.165 4.336 4.170 0.001 0.000 0.281 310 I C -0.631 175.439 176.117 -0.078 0.000 1.027 310 I CA -0.452 60.717 61.300 -0.218 0.000 1.111 310 I CB 1.140 38.703 38.000 -0.728 0.000 1.236 310 I HN 0.728 nan 8.210 nan 0.000 0.452 311 Y N 6.907 127.165 120.300 -0.069 0.000 2.425 311 Y HA 0.350 4.900 4.550 0.001 0.000 0.331 311 Y C -0.270 175.401 175.900 -0.381 0.000 1.157 311 Y CA 0.033 58.020 58.100 -0.188 0.000 1.372 311 Y CB 0.884 39.230 38.460 -0.189 0.000 1.253 311 Y HN 0.269 nan 8.280 nan 0.000 0.536 312 V N 8.996 128.387 119.914 -0.871 0.000 2.313 312 V HA 0.297 4.417 4.120 0.001 0.000 0.278 312 V C -2.280 173.324 176.094 -0.816 0.000 1.017 312 V CA -2.137 59.803 62.300 -0.600 0.000 0.823 312 V CB 0.990 32.656 31.823 -0.262 0.000 1.010 312 V HN 0.709 nan 8.190 nan 0.000 0.443 313 P HA 0.191 nan 4.420 nan 0.000 0.268 313 P C 0.579 177.808 177.300 -0.119 0.000 1.204 313 P CA 0.458 63.438 63.100 -0.200 0.000 0.768 313 P CB 0.796 32.508 31.700 0.021 0.000 0.842 314 A N 3.579 126.363 122.820 -0.060 0.000 2.771 314 A HA -0.266 4.055 4.320 0.001 0.000 0.294 314 A C 0.920 178.470 177.584 -0.057 0.000 1.500 314 A CA 1.300 53.320 52.037 -0.028 0.000 0.829 314 A CB -2.574 16.434 19.000 0.014 0.000 0.998 314 A HN 0.629 nan 8.150 nan 0.000 0.526 315 D N -1.943 118.384 120.400 -0.122 0.000 3.070 315 D HA -0.188 4.452 4.640 0.001 0.000 0.220 315 D C -0.147 176.120 176.300 -0.055 0.000 1.176 315 D CA 2.148 56.090 54.000 -0.098 0.000 0.924 315 D CB -1.089 39.676 40.800 -0.058 0.000 1.124 315 D HN 0.960 nan 8.370 nan 0.000 0.411 316 D N 0.174 120.549 120.400 -0.042 0.000 2.380 316 D HA 0.217 4.857 4.640 0.001 0.000 0.230 316 D C 1.333 177.652 176.300 0.030 0.000 1.154 316 D CA -0.276 53.726 54.000 0.003 0.000 0.859 316 D CB 0.308 41.124 40.800 0.026 0.000 1.045 316 D HN 0.134 nan 8.370 nan 0.000 0.495 317 L N 2.701 123.952 121.223 0.046 0.000 2.478 317 L HA -0.036 4.305 4.340 0.001 0.000 0.223 317 L C 2.240 179.197 176.870 0.145 0.000 1.140 317 L CA 1.013 55.922 54.840 0.114 0.000 0.842 317 L CB -0.189 41.935 42.059 0.109 0.000 0.953 317 L HN 0.498 nan 8.230 nan 0.000 0.452 318 T N -4.638 109.969 114.554 0.088 0.000 3.081 318 T HA -0.069 4.281 4.350 0.001 0.000 0.255 318 T C 0.642 175.409 174.700 0.111 0.000 1.113 318 T CA -0.320 61.831 62.100 0.085 0.000 1.082 318 T CB -0.403 68.493 68.868 0.047 0.000 0.939 318 T HN 0.171 nan 8.240 nan 0.000 0.506 319 D N 2.769 123.245 120.400 0.127 0.000 2.533 319 D HA 0.083 4.723 4.640 0.001 0.000 0.236 319 D C -1.425 174.968 176.300 0.155 0.000 1.137 319 D CA -1.401 52.704 54.000 0.174 0.000 0.867 319 D CB 1.051 41.969 40.800 0.197 0.000 1.170 319 D HN 0.016 nan 8.370 nan 0.000 0.474 320 P HA -0.231 nan 4.420 nan 0.000 0.217 320 P C 0.586 177.827 177.300 -0.099 0.000 1.148 320 P CA 1.732 64.816 63.100 -0.026 0.000 0.834 320 P CB 0.111 31.734 31.700 -0.128 0.000 0.783 321 A N -0.036 122.714 122.820 -0.116 0.000 1.840 321 A HA -0.061 4.259 4.320 0.001 0.000 0.214 321 A C -0.047 177.632 177.584 0.159 0.000 1.198 321 A CA 1.753 53.801 52.037 0.017 0.000 0.608 321 A CB -2.116 17.065 19.000 0.302 0.000 0.839 321 A HN 0.207 nan 8.150 nan 0.000 0.443 322 P HA -0.103 nan 4.420 nan 0.000 0.216 322 P C 1.634 179.072 177.300 0.230 0.000 1.153 322 P CA 1.974 65.202 63.100 0.213 0.000 0.844 322 P CB -0.233 31.608 31.700 0.235 0.000 0.787 323 A N 0.000 122.983 122.820 0.272 0.000 1.948 323 A HA -0.181 4.140 4.320 0.001 0.000 0.220 323 A C 2.219 179.992 177.584 0.315 0.000 1.177 323 A CA 2.598 54.844 52.037 0.348 0.000 0.636 323 A CB -1.969 17.149 19.000 0.197 0.000 0.815 323 A HN 0.246 nan 8.150 nan 0.000 0.449 324 T N -0.780 113.892 114.554 0.197 0.000 3.088 324 T HA 0.002 4.353 4.350 0.001 0.000 0.259 324 T C 1.697 176.537 174.700 0.235 0.000 1.122 324 T CA 1.383 63.587 62.100 0.173 0.000 1.095 324 T CB -0.139 68.795 68.868 0.110 0.000 0.930 324 T HN 0.563 nan 8.240 nan 0.000 0.508 325 T N 1.523 116.209 114.554 0.220 0.000 2.942 325 T HA 0.109 4.459 4.350 0.001 0.000 0.265 325 T C 1.492 176.338 174.700 0.244 0.000 1.062 325 T CA 0.476 62.701 62.100 0.208 0.000 1.139 325 T CB -0.424 68.462 68.868 0.031 0.000 0.883 325 T HN 0.333 nan 8.240 nan 0.000 0.468 326 F N 2.192 122.328 119.950 0.310 0.000 2.087 326 F HA -0.175 4.352 4.527 0.001 0.000 0.299 326 F C 2.660 178.521 175.800 0.101 0.000 1.100 326 F CA 1.137 59.265 58.000 0.213 0.000 1.226 326 F CB -0.497 38.525 39.000 0.037 0.000 0.983 326 F HN 0.145 nan 8.300 nan 0.000 0.479 327 A N -1.699 121.234 122.820 0.187 0.000 2.248 327 A HA -0.138 4.182 4.320 0.001 0.000 0.210 327 A C 1.393 178.889 177.584 -0.147 0.000 1.174 327 A CA 1.039 53.066 52.037 -0.017 0.000 0.750 327 A CB -0.885 18.043 19.000 -0.119 0.000 0.780 327 A HN 0.471 nan 8.150 nan 0.000 0.478 328 H N -1.064 118.060 119.070 0.090 0.000 2.529 328 H HA 0.365 4.921 4.556 0.001 0.000 0.277 328 H C -0.265 175.077 175.328 0.024 0.000 1.004 328 H CA 0.158 56.227 56.048 0.036 0.000 1.167 328 H CB 0.131 29.892 29.762 -0.001 0.000 1.445 328 H HN 0.340 nan 8.280 nan 0.000 0.554 329 L N 0.236 121.544 121.223 0.142 0.000 2.342 329 L HA 0.245 4.586 4.340 0.001 0.000 0.271 329 L C 0.731 177.652 176.870 0.084 0.000 1.008 329 L CA -0.612 54.291 54.840 0.105 0.000 0.818 329 L CB 2.133 44.283 42.059 0.151 0.000 1.296 329 L HN -0.107 nan 8.230 nan 0.000 0.427 330 D N 1.153 121.582 120.400 0.048 0.000 2.327 330 D HA 0.190 4.830 4.640 0.001 0.000 0.205 330 D C 0.251 176.596 176.300 0.074 0.000 0.989 330 D CA 0.564 54.593 54.000 0.048 0.000 0.873 330 D CB 1.100 41.912 40.800 0.021 0.000 0.955 330 D HN 0.511 nan 8.370 nan 0.000 0.515 331 A N 0.762 123.627 122.820 0.075 0.000 2.437 331 A HA 0.512 4.833 4.320 0.001 0.000 0.293 331 A C -0.322 177.360 177.584 0.163 0.000 1.038 331 A CA -0.661 51.459 52.037 0.138 0.000 0.708 331 A CB 1.377 20.488 19.000 0.184 0.000 1.251 331 A HN -0.029 nan 8.150 nan 0.000 0.409 332 T N -0.612 114.087 114.554 0.242 0.000 2.855 332 T HA 0.736 5.086 4.350 0.001 0.000 0.281 332 T C -0.368 174.527 174.700 0.325 0.000 1.007 332 T CA -0.477 61.820 62.100 0.329 0.000 1.009 332 T CB 1.431 70.525 68.868 0.377 0.000 0.983 332 T HN 0.492 nan 8.240 nan 0.000 0.455 333 T N 3.084 117.859 114.554 0.369 0.000 2.977 333 T HA 0.411 4.761 4.350 0.001 0.000 0.346 333 T C -0.222 174.673 174.700 0.325 0.000 1.140 333 T CA -0.542 61.750 62.100 0.319 0.000 1.040 333 T CB 0.581 69.655 68.868 0.343 0.000 1.046 333 T HN 0.643 nan 8.240 nan 0.000 0.494 334 V N 5.699 125.758 119.914 0.241 0.000 2.368 334 V HA 0.322 4.443 4.120 0.001 0.000 0.266 334 V C 0.365 176.545 176.094 0.143 0.000 1.045 334 V CA -0.643 61.777 62.300 0.201 0.000 0.899 334 V CB 0.229 32.103 31.823 0.085 0.000 1.006 334 V HN 0.725 nan 8.190 nan 0.000 0.470 335 L N 3.958 125.273 121.223 0.153 0.000 2.375 335 L HA 0.567 4.908 4.340 0.001 0.000 0.271 335 L C 0.484 177.389 176.870 0.057 0.000 1.107 335 L CA 0.191 55.091 54.840 0.100 0.000 0.806 335 L CB 1.474 43.601 42.059 0.114 0.000 1.146 335 L HN 0.654 nan 8.230 nan 0.000 0.447 336 S N 1.062 116.774 115.700 0.020 0.000 2.521 336 S HA 0.348 4.818 4.470 0.001 0.000 0.295 336 S C 0.591 175.175 174.600 -0.027 0.000 1.098 336 S CA -0.781 57.415 58.200 -0.007 0.000 0.999 336 S CB 1.846 65.035 63.200 -0.018 0.000 1.034 336 S HN 0.714 nan 8.310 nan 0.000 0.483 337 R N 3.284 123.770 120.500 -0.024 0.000 2.066 337 R HA -0.024 4.316 4.340 0.001 0.000 0.232 337 R C 2.214 178.488 176.300 -0.044 0.000 1.131 337 R CA 1.845 57.929 56.100 -0.026 0.000 0.955 337 R CB -0.758 29.532 30.300 -0.018 0.000 0.851 337 R HN 0.796 nan 8.270 nan 0.000 0.432 338 A N 1.080 123.875 122.820 -0.042 0.000 1.917 338 A HA -0.182 4.138 4.320 0.001 0.000 0.219 338 A C 2.146 179.690 177.584 -0.067 0.000 1.182 338 A CA 1.648 53.657 52.037 -0.047 0.000 0.633 338 A CB -0.571 18.403 19.000 -0.043 0.000 0.819 338 A HN 0.392 nan 8.150 nan 0.000 0.448 339 I N -0.567 119.957 120.570 -0.077 0.000 2.252 339 I HA -0.230 3.940 4.170 0.001 0.000 0.245 339 I C 2.962 178.961 176.117 -0.196 0.000 1.102 339 I CA 0.923 62.161 61.300 -0.103 0.000 1.385 339 I CB -0.390 37.563 38.000 -0.079 0.000 1.064 339 I HN 0.362 nan 8.210 nan 0.000 0.414 340 A N 0.683 123.359 122.820 -0.239 0.000 1.902 340 A HA -0.214 4.107 4.320 0.001 0.000 0.217 340 A C 2.201 179.625 177.584 -0.266 0.000 1.181 340 A CA 1.584 53.361 52.037 -0.434 0.000 0.623 340 A CB -0.570 18.294 19.000 -0.228 0.000 0.818 340 A HN 0.437 nan 8.150 nan 0.000 0.443 341 E N -0.118 120.014 120.200 -0.113 0.000 2.153 341 E HA -0.120 4.230 4.350 0.001 0.000 0.194 341 E C 1.476 178.045 176.600 -0.051 0.000 0.988 341 E CA 0.825 57.197 56.400 -0.046 0.000 0.811 341 E CB -0.302 29.382 29.700 -0.026 0.000 0.746 341 E HN 0.620 nan 8.360 nan 0.000 0.466 342 L N 0.057 121.230 121.223 -0.082 0.000 2.622 342 L HA 0.010 4.350 4.340 0.001 0.000 0.233 342 L C 1.466 178.282 176.870 -0.090 0.000 1.156 342 L CA 0.489 55.283 54.840 -0.076 0.000 0.866 342 L CB -0.385 41.633 42.059 -0.068 0.000 0.980 342 L HN 0.317 nan 8.230 nan 0.000 0.448 343 G N 0.075 108.820 108.800 -0.092 0.000 2.179 343 G HA2 -0.262 3.698 3.960 0.001 0.000 0.260 343 G HA3 -0.262 3.698 3.960 0.001 0.000 0.260 343 G C 0.333 175.248 174.900 0.025 0.000 0.977 343 G CA -0.302 44.807 45.100 0.014 0.000 0.641 343 G HN 0.185 nan 8.290 nan 0.000 0.533 344 I N 1.183 121.662 120.570 -0.152 0.000 2.421 344 I HA 0.381 4.551 4.170 0.001 0.000 0.291 344 I C 0.016 175.929 176.117 -0.340 0.000 1.089 344 I CA -0.420 60.842 61.300 -0.063 0.000 1.354 344 I CB -0.653 37.328 38.000 -0.032 0.000 1.413 344 I HN 0.112 nan 8.210 nan 0.000 0.513 345 Y N 7.438 127.747 120.300 0.016 0.000 2.425 345 Y HA 0.389 4.939 4.550 0.001 0.000 0.344 345 Y C -2.069 173.658 175.900 -0.289 0.000 0.969 345 Y CA -2.376 55.643 58.100 -0.134 0.000 1.052 345 Y CB 2.295 40.660 38.460 -0.160 0.000 1.215 345 Y HN 0.419 nan 8.280 nan 0.000 0.451 346 P HA 0.102 nan 4.420 nan 0.000 0.275 346 P C -0.471 176.827 177.300 -0.002 0.000 1.227 346 P CA -0.228 62.841 63.100 -0.052 0.000 0.781 346 P CB 1.252 32.941 31.700 -0.018 0.000 0.906 347 A N 3.932 126.752 122.820 0.000 0.000 2.958 347 A HA 0.202 4.522 4.320 0.001 0.000 0.247 347 A C 0.505 178.089 177.584 -0.000 0.000 1.679 347 A CA -0.248 51.739 52.037 -0.085 0.000 1.345 347 A CB -1.275 17.637 19.000 -0.146 0.000 1.013 347 A HN 0.382 nan 8.150 nan 0.000 0.641 348 V N 1.210 121.141 119.914 0.028 0.000 2.555 348 V HA 0.050 4.170 4.120 0.001 0.000 0.286 348 V C 0.425 176.537 176.094 0.030 0.000 1.044 348 V CA -0.481 61.852 62.300 0.055 0.000 1.026 348 V CB 1.193 33.059 31.823 0.072 0.000 0.981 348 V HN 0.619 nan 8.190 nan 0.000 0.480 349 D N 7.193 127.613 120.400 0.034 0.000 2.352 349 D HA 0.201 4.841 4.640 0.001 0.000 0.245 349 D C -1.638 174.669 176.300 0.012 0.000 1.224 349 D CA -2.027 51.981 54.000 0.014 0.000 0.879 349 D CB 1.862 42.665 40.800 0.006 0.000 1.057 349 D HN 0.244 nan 8.370 nan 0.000 0.491 350 P HA 0.000 nan 4.420 nan 0.000 0.226 350 P C 0.985 178.275 177.300 -0.017 0.000 1.153 350 P CA 0.687 63.782 63.100 -0.009 0.000 0.777 350 P CB 0.287 31.980 31.700 -0.012 0.000 0.794 351 L N -1.709 119.503 121.223 -0.018 0.000 2.728 351 L HA 0.250 4.591 4.340 0.001 0.000 0.238 351 L C 1.160 178.007 176.870 -0.039 0.000 1.143 351 L CA 0.396 55.218 54.840 -0.029 0.000 0.937 351 L CB 0.069 42.109 42.059 -0.031 0.000 1.225 351 L HN -0.141 nan 8.230 nan 0.000 0.507 352 D N -1.068 119.314 120.400 -0.029 0.000 2.520 352 D HA 0.082 4.722 4.640 0.001 0.000 0.223 352 D C 0.174 176.464 176.300 -0.017 0.000 1.186 352 D CA 0.244 54.215 54.000 -0.049 0.000 0.821 352 D CB 0.794 41.560 40.800 -0.056 0.000 1.072 352 D HN -0.072 nan 8.370 nan 0.000 0.518 353 S N -0.007 115.706 115.700 0.022 0.000 2.462 353 S HA 0.642 5.112 4.470 0.001 0.000 0.294 353 S C 0.107 174.743 174.600 0.060 0.000 1.144 353 S CA -0.630 57.615 58.200 0.075 0.000 1.088 353 S CB 1.682 64.944 63.200 0.104 0.000 1.009 353 S HN 0.288 nan 8.310 nan 0.000 0.484 354 T N -1.035 113.572 114.554 0.088 0.000 2.865 354 T HA 0.824 5.175 4.350 0.001 0.000 0.294 354 T C -0.698 174.068 174.700 0.110 0.000 1.119 354 T CA -0.902 61.240 62.100 0.071 0.000 1.007 354 T CB 1.852 70.744 68.868 0.040 0.000 1.225 354 T HN 0.501 nan 8.240 nan 0.000 0.515 355 S N -0.983 114.771 115.700 0.090 0.000 2.566 355 S HA 0.383 4.854 4.470 0.001 0.000 0.273 355 S C 0.384 175.027 174.600 0.072 0.000 1.157 355 S CA -0.834 57.428 58.200 0.103 0.000 0.938 355 S CB 1.565 64.834 63.200 0.115 0.000 1.087 355 S HN 0.779 nan 8.310 nan 0.000 0.474 356 R N 2.437 122.977 120.500 0.067 0.000 2.285 356 R HA 0.102 4.443 4.340 0.001 0.000 0.213 356 R C 1.571 177.891 176.300 0.035 0.000 1.068 356 R CA 1.563 57.691 56.100 0.047 0.000 1.004 356 R CB -0.480 29.845 30.300 0.041 0.000 0.873 356 R HN 0.816 nan 8.270 nan 0.000 0.467 357 I N -3.156 117.437 120.570 0.038 0.000 3.956 357 I HA 0.198 4.368 4.170 0.001 0.000 0.333 357 I C 0.545 176.664 176.117 0.002 0.000 1.302 357 I CA -0.416 60.894 61.300 0.018 0.000 1.122 357 I CB 0.164 38.176 38.000 0.021 0.000 1.013 357 I HN -0.080 nan 8.210 nan 0.000 0.405 358 M N 3.449 123.064 119.600 0.025 0.000 2.922 358 M HA 0.238 4.718 4.480 0.001 0.000 0.294 358 M C -0.895 175.485 176.300 0.133 0.000 1.556 358 M CA 0.311 55.645 55.300 0.056 0.000 1.568 358 M CB -1.246 31.393 32.600 0.064 0.000 1.462 358 M HN 0.316 nan 8.290 nan 0.000 0.489 359 D N 5.669 126.102 120.400 0.055 0.000 2.931 359 D HA 0.298 4.938 4.640 0.001 0.000 0.215 359 D C -2.555 173.615 176.300 -0.217 0.000 1.297 359 D CA -1.104 52.823 54.000 -0.122 0.000 0.892 359 D CB 2.293 43.042 40.800 -0.084 0.000 1.642 359 D HN 0.187 nan 8.370 nan 0.000 0.560 360 P HA -0.076 nan 4.420 nan 0.000 0.222 360 P C 0.724 177.936 177.300 -0.147 0.000 1.147 360 P CA 0.675 63.582 63.100 -0.322 0.000 0.790 360 P CB 0.508 31.923 31.700 -0.476 0.000 0.780 361 N N -0.602 118.011 118.700 -0.144 0.000 2.494 361 N HA 0.042 4.782 4.740 0.001 0.000 0.182 361 N C 1.768 177.249 175.510 -0.049 0.000 1.076 361 N CA 0.674 53.676 53.050 -0.080 0.000 0.908 361 N CB -0.017 38.425 38.487 -0.076 0.000 0.967 361 N HN 0.316 nan 8.380 nan 0.000 0.449 362 I N -0.281 120.258 120.570 -0.051 0.000 2.899 362 I HA -0.060 4.110 4.170 0.001 0.000 0.257 362 I C 1.796 177.904 176.117 -0.015 0.000 1.115 362 I CA 0.347 61.630 61.300 -0.028 0.000 1.451 362 I CB 0.169 38.153 38.000 -0.027 0.000 1.251 362 I HN -0.119 nan 8.210 nan 0.000 0.456 363 V N -1.115 118.778 119.914 -0.036 0.000 3.649 363 V HA 0.539 4.659 4.120 0.001 0.000 0.275 363 V C 0.837 176.968 176.094 0.062 0.000 1.281 363 V CA 0.141 62.426 62.300 -0.025 0.000 1.143 363 V CB -1.066 30.591 31.823 -0.277 0.000 0.892 363 V HN 0.478 nan 8.190 nan 0.000 0.441 364 G N 1.083 109.908 108.800 0.040 0.000 2.716 364 G HA2 -0.142 3.818 3.960 0.001 0.000 0.686 364 G HA3 -0.142 3.818 3.960 0.001 0.000 0.686 364 G C 0.449 175.411 174.900 0.103 0.000 1.337 364 G CA 0.303 45.442 45.100 0.065 0.000 0.829 364 G HN 1.378 nan 8.290 nan 0.000 0.599 365 S N -0.479 115.273 115.700 0.088 0.000 2.428 365 S HA -0.028 4.443 4.470 0.001 0.000 0.230 365 S C 1.725 176.437 174.600 0.186 0.000 1.014 365 S CA 1.711 59.987 58.200 0.127 0.000 0.957 365 S CB 0.036 63.281 63.200 0.075 0.000 0.784 365 S HN 0.876 nan 8.310 nan 0.000 0.499 366 E N 1.032 121.325 120.200 0.154 0.000 2.028 366 E HA -0.240 4.111 4.350 0.001 0.000 0.191 366 E C 2.036 178.753 176.600 0.195 0.000 0.988 366 E CA 1.160 57.648 56.400 0.146 0.000 0.799 366 E CB -0.394 29.372 29.700 0.111 0.000 0.755 366 E HN 0.848 nan 8.360 nan 0.000 0.447 367 H N -1.328 117.801 119.070 0.097 0.000 2.319 367 H HA -0.245 4.311 4.556 0.001 0.000 0.297 367 H C 2.160 177.542 175.328 0.090 0.000 1.097 367 H CA 1.855 57.954 56.048 0.086 0.000 1.285 367 H CB -0.154 29.658 29.762 0.084 0.000 1.368 367 H HN 0.275 nan 8.280 nan 0.000 0.495 368 Y N 1.479 121.867 120.300 0.148 0.000 2.128 368 Y HA -0.245 4.305 4.550 0.001 0.000 0.284 368 Y C 1.964 177.902 175.900 0.063 0.000 1.154 368 Y CA 2.030 60.158 58.100 0.047 0.000 1.149 368 Y CB -0.281 38.179 38.460 0.000 0.000 0.976 368 Y HN 0.340 nan 8.280 nan 0.000 0.505 369 D N -0.736 119.733 120.400 0.116 0.000 2.117 369 D HA -0.156 4.484 4.640 0.001 0.000 0.198 369 D C 2.422 178.710 176.300 -0.020 0.000 0.982 369 D CA 1.578 55.594 54.000 0.027 0.000 0.828 369 D CB -0.487 40.376 40.800 0.104 0.000 0.967 369 D HN 0.295 nan 8.370 nan 0.000 0.464 370 V N 1.483 121.418 119.914 0.034 0.000 2.295 370 V HA -0.253 3.868 4.120 0.001 0.000 0.246 370 V C 2.529 178.609 176.094 -0.023 0.000 1.049 370 V CA 1.850 64.172 62.300 0.036 0.000 1.024 370 V CB -0.904 30.967 31.823 0.080 0.000 0.648 370 V HN 0.182 nan 8.190 nan 0.000 0.447 371 A N 0.015 122.810 122.820 -0.042 0.000 1.865 371 A HA -0.233 4.087 4.320 0.001 0.000 0.217 371 A C 2.339 179.820 177.584 -0.173 0.000 1.191 371 A CA 1.827 53.801 52.037 -0.106 0.000 0.623 371 A CB -0.515 18.447 19.000 -0.063 0.000 0.826 371 A HN 0.393 nan 8.150 nan 0.000 0.444 372 R N -0.511 119.822 120.500 -0.279 0.000 2.081 372 R HA -0.100 4.241 4.340 0.001 0.000 0.235 372 R C 2.375 178.600 176.300 -0.125 0.000 1.131 372 R CA 1.327 57.273 56.100 -0.256 0.000 0.960 372 R CB -1.773 28.299 30.300 -0.380 0.000 0.856 372 R HN 0.548 nan 8.270 nan 0.000 0.436 373 G N 0.306 109.054 108.800 -0.086 0.000 2.446 373 G HA2 -0.212 3.748 3.960 0.001 0.000 0.217 373 G HA3 -0.212 3.748 3.960 0.001 0.000 0.217 373 G C 1.583 176.473 174.900 -0.017 0.000 1.168 373 G CA 0.962 46.044 45.100 -0.031 0.000 0.771 373 G HN 0.198 nan 8.290 nan 0.000 0.551 374 V N 0.597 120.496 119.914 -0.024 0.000 2.332 374 V HA -0.257 3.863 4.120 0.001 0.000 0.248 374 V C 2.898 178.977 176.094 -0.025 0.000 1.055 374 V CA 2.284 64.576 62.300 -0.015 0.000 1.038 374 V CB -0.562 31.205 31.823 -0.093 0.000 0.651 374 V HN 0.456 nan 8.190 nan 0.000 0.450 375 Q N -0.477 119.290 119.800 -0.054 0.000 2.172 375 Q HA -0.177 4.163 4.340 0.001 0.000 0.200 375 Q C 2.372 178.359 176.000 -0.022 0.000 0.964 375 Q CA 1.164 56.941 55.803 -0.043 0.000 0.855 375 Q CB -0.159 28.539 28.738 -0.066 0.000 0.918 375 Q HN 0.575 nan 8.270 nan 0.000 0.444 376 K N 1.234 121.619 120.400 -0.024 0.000 2.025 376 K HA -0.122 4.199 4.320 0.001 0.000 0.207 376 K C 1.992 178.599 176.600 0.011 0.000 1.049 376 K CA 0.867 57.148 56.287 -0.010 0.000 0.933 376 K CB -0.078 32.414 32.500 -0.013 0.000 0.714 376 K HN 0.184 nan 8.250 nan 0.000 0.438 377 I N 1.175 121.754 120.570 0.016 0.000 2.315 377 I HA -0.265 3.905 4.170 0.001 0.000 0.248 377 I C 1.924 178.082 176.117 0.068 0.000 1.117 377 I CA 0.930 62.248 61.300 0.030 0.000 1.404 377 I CB 0.094 38.104 38.000 0.016 0.000 1.071 377 I HN 0.244 nan 8.210 nan 0.000 0.419 378 L N 0.011 121.273 121.223 0.066 0.000 2.056 378 L HA -0.231 4.109 4.340 0.001 0.000 0.207 378 L C 2.559 179.485 176.870 0.094 0.000 1.078 378 L CA 1.107 56.013 54.840 0.109 0.000 0.749 378 L CB -0.570 41.531 42.059 0.070 0.000 0.901 378 L HN 0.271 nan 8.230 nan 0.000 0.433 379 Q N 0.261 120.086 119.800 0.042 0.000 2.119 379 Q HA -0.205 4.136 4.340 0.001 0.000 0.201 379 Q C 1.704 177.721 176.000 0.028 0.000 0.972 379 Q CA 1.703 57.516 55.803 0.016 0.000 0.847 379 Q CB -0.076 28.660 28.738 -0.002 0.000 0.903 379 Q HN 0.370 nan 8.270 nan 0.000 0.433 380 D N -0.976 119.455 120.400 0.051 0.000 2.117 380 D HA -0.163 4.478 4.640 0.001 0.000 0.198 380 D C 1.513 177.879 176.300 0.111 0.000 0.982 380 D CA 0.995 55.031 54.000 0.059 0.000 0.828 380 D CB -0.431 40.400 40.800 0.052 0.000 0.967 380 D HN 0.310 nan 8.370 nan 0.000 0.464 381 Y N 2.039 122.330 120.300 -0.015 0.000 2.128 381 Y HA -0.222 4.328 4.550 0.001 0.000 0.284 381 Y C 2.239 178.129 175.900 -0.016 0.000 1.154 381 Y CA 1.569 59.660 58.100 -0.015 0.000 1.149 381 Y CB -0.412 38.039 38.460 -0.015 0.000 0.976 381 Y HN -0.161 nan 8.280 nan 0.000 0.505 382 K N -0.440 119.885 120.400 -0.124 0.000 2.074 382 K HA -0.163 4.157 4.320 0.001 0.000 0.209 382 K C 2.161 178.676 176.600 -0.141 0.000 1.048 382 K CA 1.813 57.973 56.287 -0.212 0.000 0.926 382 K CB -0.269 32.162 32.500 -0.114 0.000 0.713 382 K HN 0.278 nan 8.250 nan 0.000 0.444 383 S N 0.569 116.230 115.700 -0.064 0.000 2.447 383 S HA -0.027 4.443 4.470 0.001 0.000 0.233 383 S C 1.460 176.039 174.600 -0.034 0.000 1.006 383 S CA 0.766 58.942 58.200 -0.041 0.000 0.957 383 S CB -0.023 63.168 63.200 -0.014 0.000 0.773 383 S HN 0.274 nan 8.310 nan 0.000 0.507 384 L N 0.733 121.940 121.223 -0.027 0.000 2.592 384 L HA 0.159 4.500 4.340 0.001 0.000 0.227 384 L C 2.169 179.018 176.870 -0.035 0.000 1.127 384 L CA 0.239 55.079 54.840 0.001 0.000 0.884 384 L CB -0.216 41.889 42.059 0.077 0.000 1.065 384 L HN 0.258 nan 8.230 nan 0.000 0.457 385 Q N -0.063 119.667 119.800 -0.117 0.000 2.230 385 Q HA -0.156 4.185 4.340 0.001 0.000 0.202 385 Q C 1.201 177.152 176.000 -0.082 0.000 0.963 385 Q CA 0.989 56.704 55.803 -0.147 0.000 0.866 385 Q CB 0.151 28.727 28.738 -0.270 0.000 0.931 385 Q HN 0.414 nan 8.270 nan 0.000 0.452 386 D N 0.790 121.153 120.400 -0.063 0.000 2.117 386 D HA -0.095 4.546 4.640 0.001 0.000 0.198 386 D C 1.767 178.051 176.300 -0.026 0.000 0.982 386 D CA 0.879 54.854 54.000 -0.042 0.000 0.828 386 D CB -0.045 40.733 40.800 -0.036 0.000 0.967 386 D HN 0.196 nan 8.370 nan 0.000 0.464 387 I N 0.550 121.108 120.570 -0.019 0.000 2.163 387 I HA -0.248 3.923 4.170 0.001 0.000 0.243 387 I C 2.287 178.404 176.117 -0.001 0.000 1.085 387 I CA 0.838 62.134 61.300 -0.006 0.000 1.347 387 I CB -0.229 37.772 38.000 0.001 0.000 1.044 387 I HN -0.018 nan 8.210 nan 0.000 0.408 388 I N 0.843 121.415 120.570 0.002 0.000 2.286 388 I HA -0.281 3.889 4.170 0.001 0.000 0.248 388 I C 2.775 178.894 176.117 0.004 0.000 1.115 388 I CA 1.335 62.644 61.300 0.014 0.000 1.392 388 I CB -0.455 37.566 38.000 0.036 0.000 1.065 388 I HN 0.189 nan 8.210 nan 0.000 0.418 389 A N 0.834 123.647 122.820 -0.011 0.000 1.930 389 A HA -0.128 4.193 4.320 0.001 0.000 0.217 389 A C 2.248 179.828 177.584 -0.008 0.000 1.175 389 A CA 1.312 53.341 52.037 -0.014 0.000 0.627 389 A CB -0.399 18.586 19.000 -0.025 0.000 0.815 389 A HN 0.293 nan 8.150 nan 0.000 0.443 390 I N -0.833 119.732 120.570 -0.007 0.000 2.260 390 I HA -0.053 4.118 4.170 0.001 0.000 0.237 390 I C 2.352 178.468 176.117 -0.001 0.000 1.075 390 I CA 1.077 62.375 61.300 -0.005 0.000 1.376 390 I CB -1.228 36.769 38.000 -0.006 0.000 1.107 390 I HN 0.241 nan 8.210 nan 0.000 0.420 391 L N -0.055 121.169 121.223 0.001 0.000 2.307 391 L HA 0.244 4.585 4.340 0.001 0.000 0.211 391 L C 1.118 177.992 176.870 0.007 0.000 1.099 391 L CA 0.540 55.383 54.840 0.004 0.000 0.816 391 L CB -0.394 41.667 42.059 0.004 0.000 0.952 391 L HN 0.501 nan 8.230 nan 0.000 0.455 392 G N -1.057 107.749 108.800 0.010 0.000 2.710 392 G HA2 -0.245 3.715 3.960 0.001 0.000 0.668 392 G HA3 -0.245 3.715 3.960 0.001 0.000 0.668 392 G C 0.295 175.207 174.900 0.020 0.000 1.320 392 G CA -0.252 44.857 45.100 0.015 0.000 0.860 392 G HN -0.161 nan 8.290 nan 0.000 0.538 393 M N 0.079 119.693 119.600 0.024 0.000 2.144 393 M HA -0.081 4.399 4.480 0.001 0.000 0.260 393 M C 1.945 178.255 176.300 0.017 0.000 1.067 393 M CA 2.295 57.610 55.300 0.025 0.000 1.095 393 M CB -1.168 31.444 32.600 0.020 0.000 1.365 393 M HN 0.631 nan 8.290 nan 0.000 0.406 394 D N 0.098 120.506 120.400 0.013 0.000 2.350 394 D HA -0.108 4.532 4.640 0.001 0.000 0.216 394 D C 1.271 177.576 176.300 0.009 0.000 0.968 394 D CA 0.745 54.750 54.000 0.009 0.000 0.894 394 D CB 0.014 40.818 40.800 0.008 0.000 0.909 394 D HN 0.369 nan 8.370 nan 0.000 0.520 395 E N 0.100 120.306 120.200 0.010 0.000 2.463 395 E HA 0.144 4.495 4.350 0.001 0.000 0.193 395 E C 0.515 177.122 176.600 0.010 0.000 1.041 395 E CA -0.123 56.282 56.400 0.009 0.000 0.879 395 E CB 0.583 30.288 29.700 0.008 0.000 0.997 395 E HN 0.336 nan 8.360 nan 0.000 0.478 396 L N 1.544 122.775 121.223 0.013 0.000 2.334 396 L HA 0.208 4.549 4.340 0.001 0.000 0.277 396 L C 0.992 177.868 176.870 0.010 0.000 1.075 396 L CA -0.650 54.199 54.840 0.014 0.000 0.804 396 L CB 1.171 43.243 42.059 0.021 0.000 1.174 396 L HN -0.045 nan 8.230 nan 0.000 0.438 397 S N 0.450 116.155 115.700 0.009 0.000 2.587 397 S HA -0.034 4.436 4.470 0.001 0.000 0.260 397 S C 0.855 175.458 174.600 0.004 0.000 1.353 397 S CA -0.360 57.844 58.200 0.006 0.000 0.995 397 S CB 0.962 64.165 63.200 0.006 0.000 0.912 397 S HN 0.679 nan 8.310 nan 0.000 0.568 398 E N 0.581 120.782 120.200 0.002 0.000 2.110 398 E HA -0.102 4.248 4.350 0.001 0.000 0.193 398 E C 1.876 178.474 176.600 -0.002 0.000 0.988 398 E CA 1.589 57.989 56.400 -0.000 0.000 0.804 398 E CB -0.327 29.373 29.700 -0.001 0.000 0.745 398 E HN 0.801 nan 8.360 nan 0.000 0.458 399 E N 0.045 120.244 120.200 -0.001 0.000 2.051 399 E HA -0.175 4.176 4.350 0.001 0.000 0.192 399 E C 1.612 178.211 176.600 -0.001 0.000 0.991 399 E CA 1.530 57.929 56.400 -0.001 0.000 0.799 399 E CB -0.037 29.664 29.700 0.001 0.000 0.748 399 E HN 0.257 nan 8.360 nan 0.000 0.449 400 D N 0.150 120.553 120.400 0.005 0.000 2.117 400 D HA -0.128 4.513 4.640 0.001 0.000 0.197 400 D C 1.650 177.952 176.300 0.004 0.000 0.987 400 D CA 0.994 55.002 54.000 0.014 0.000 0.829 400 D CB -0.099 40.715 40.800 0.023 0.000 0.961 400 D HN 0.077 nan 8.370 nan 0.000 0.460 401 K N -0.059 120.340 120.400 -0.002 0.000 2.152 401 K HA -0.130 4.190 4.320 0.001 0.000 0.206 401 K C 1.996 178.572 176.600 -0.039 0.000 1.048 401 K CA 0.411 56.689 56.287 -0.015 0.000 0.933 401 K CB -0.096 32.399 32.500 -0.009 0.000 0.721 401 K HN 0.047 nan 8.250 nan 0.000 0.447 402 L N 0.840 122.044 121.223 -0.033 0.000 2.072 402 L HA -0.144 4.197 4.340 0.001 0.000 0.205 402 L C 2.248 179.078 176.870 -0.067 0.000 1.079 402 L CA 1.814 56.628 54.840 -0.044 0.000 0.752 402 L CB -0.641 41.402 42.059 -0.027 0.000 0.906 402 L HN 0.251 nan 8.230 nan 0.000 0.436 403 T N -3.744 110.778 114.554 -0.053 0.000 2.746 403 T HA -0.157 4.193 4.350 0.001 0.000 0.267 403 T C 1.903 176.512 174.700 -0.151 0.000 1.039 403 T CA 1.405 63.468 62.100 -0.062 0.000 1.142 403 T CB -1.091 67.772 68.868 -0.009 0.000 0.866 403 T HN 0.132 nan 8.240 nan 0.000 0.444 404 V N 2.846 122.661 119.914 -0.165 0.000 2.255 404 V HA -0.218 3.903 4.120 0.001 0.000 0.247 404 V C 3.217 179.062 176.094 -0.416 0.000 1.051 404 V CA 2.286 64.362 62.300 -0.375 0.000 1.018 404 V CB -1.168 30.565 31.823 -0.151 0.000 0.641 404 V HN 0.787 nan 8.190 nan 0.000 0.445 405 S N 0.185 115.747 115.700 -0.229 0.000 2.368 405 S HA -0.237 4.233 4.470 0.001 0.000 0.225 405 S C 2.095 176.559 174.600 -0.227 0.000 1.030 405 S CA 1.482 59.565 58.200 -0.195 0.000 0.999 405 S CB -0.505 62.626 63.200 -0.114 0.000 0.844 405 S HN 0.531 nan 8.310 nan 0.000 0.459 406 R N 1.300 121.681 120.500 -0.198 0.000 2.075 406 R HA 0.106 4.446 4.340 0.001 0.000 0.232 406 R C 2.804 178.980 176.300 -0.207 0.000 1.126 406 R CA 1.237 57.221 56.100 -0.193 0.000 0.963 406 R CB -0.796 29.433 30.300 -0.120 0.000 0.858 406 R HN 0.577 nan 8.270 nan 0.000 0.435 407 A N 1.087 123.766 122.820 -0.235 0.000 1.908 407 A HA -0.196 4.124 4.320 0.001 0.000 0.218 407 A C 2.070 179.511 177.584 -0.238 0.000 1.181 407 A CA 1.384 53.289 52.037 -0.220 0.000 0.627 407 A CB -0.380 18.440 19.000 -0.299 0.000 0.818 407 A HN 0.237 nan 8.150 nan 0.000 0.445 408 R N -0.485 119.790 120.500 -0.375 0.000 2.115 408 R HA -0.069 4.271 4.340 0.001 0.000 0.230 408 R C 2.134 178.338 176.300 -0.160 0.000 1.111 408 R CA 1.557 57.515 56.100 -0.236 0.000 0.976 408 R CB -0.200 29.951 30.300 -0.247 0.000 0.870 408 R HN 0.503 nan 8.270 nan 0.000 0.445 409 K N 0.296 120.528 120.400 -0.280 0.000 2.155 409 K HA -0.032 4.288 4.320 0.001 0.000 0.203 409 K C 1.956 178.360 176.600 -0.327 0.000 1.052 409 K CA 0.964 56.948 56.287 -0.506 0.000 0.948 409 K CB 0.034 31.933 32.500 -1.001 0.000 0.728 409 K HN 0.135 nan 8.250 nan 0.000 0.448 410 I N 1.174 121.660 120.570 -0.140 0.000 2.252 410 I HA -0.293 3.877 4.170 0.001 0.000 0.245 410 I C 2.408 178.682 176.117 0.262 0.000 1.102 410 I CA 1.270 62.658 61.300 0.147 0.000 1.385 410 I CB -0.127 37.980 38.000 0.178 0.000 1.064 410 I HN 0.242 nan 8.210 nan 0.000 0.414 411 Q N 0.299 120.182 119.800 0.137 0.000 2.096 411 Q HA -0.255 4.085 4.340 0.001 0.000 0.204 411 Q C 2.358 178.467 176.000 0.182 0.000 0.982 411 Q CA 1.741 57.633 55.803 0.148 0.000 0.850 411 Q CB -0.078 28.728 28.738 0.113 0.000 0.901 411 Q HN 0.413 nan 8.270 nan 0.000 0.422 412 R N -0.769 119.843 120.500 0.187 0.000 2.090 412 R HA -0.086 4.254 4.340 0.001 0.000 0.228 412 R C 1.796 178.290 176.300 0.323 0.000 1.110 412 R CA 0.887 57.156 56.100 0.283 0.000 0.973 412 R CB -0.138 30.340 30.300 0.296 0.000 0.869 412 R HN 0.164 nan 8.270 nan 0.000 0.440 413 F N 0.598 120.628 119.950 0.134 0.000 2.604 413 F HA 0.056 4.584 4.527 0.001 0.000 0.298 413 F C 1.293 177.242 175.800 0.249 0.000 1.131 413 F CA 0.755 58.793 58.000 0.063 0.000 1.457 413 F CB 0.183 39.038 39.000 -0.241 0.000 1.095 413 F HN -0.065 nan 8.300 nan 0.000 0.574 414 L N -0.671 120.738 121.223 0.309 0.000 2.341 414 L HA 0.011 4.352 4.340 0.001 0.000 0.214 414 L C 1.512 178.415 176.870 0.056 0.000 1.115 414 L CA 0.324 55.298 54.840 0.223 0.000 0.820 414 L CB -0.689 41.476 42.059 0.177 0.000 0.944 414 L HN 0.087 nan 8.230 nan 0.000 0.452 415 S N -0.184 115.546 115.700 0.050 0.000 2.579 415 S HA 0.259 4.729 4.470 0.001 0.000 0.275 415 S C -0.309 174.216 174.600 -0.124 0.000 1.345 415 S CA -0.396 57.790 58.200 -0.024 0.000 1.031 415 S CB 1.624 64.849 63.200 0.041 0.000 0.892 415 S HN 0.285 nan 8.310 nan 0.000 0.529 416 Q N 0.756 120.450 119.800 -0.177 0.000 2.320 416 Q HA 0.429 4.769 4.340 0.001 0.000 0.272 416 Q C -3.110 172.778 176.000 -0.187 0.000 1.023 416 Q CA -2.067 53.648 55.803 -0.147 0.000 0.855 416 Q CB 2.349 31.091 28.738 0.007 0.000 1.367 416 Q HN 0.480 nan 8.270 nan 0.000 0.406 417 P HA 0.186 nan 4.420 nan 0.000 0.282 417 P C -1.163 176.280 177.300 0.239 0.000 1.274 417 P CA 0.356 63.464 63.100 0.012 0.000 0.770 417 P CB 0.164 31.877 31.700 0.022 0.000 0.867 418 F N 1.645 121.612 119.950 0.028 0.000 2.404 418 F HA 0.213 4.741 4.527 0.001 0.000 0.339 418 F C 2.176 177.995 175.800 0.032 0.000 1.105 418 F CA -0.695 57.324 58.000 0.030 0.000 1.087 418 F CB 1.779 40.804 39.000 0.041 0.000 1.143 418 F HN 0.389 nan 8.300 nan 0.000 0.491 419 Q N 1.831 121.735 119.800 0.172 0.000 2.096 419 Q HA -0.156 4.185 4.340 0.001 0.000 0.204 419 Q C 1.653 177.708 176.000 0.092 0.000 0.982 419 Q CA 1.797 57.653 55.803 0.088 0.000 0.850 419 Q CB -0.007 28.746 28.738 0.026 0.000 0.901 419 Q HN 0.639 nan 8.270 nan 0.000 0.422 420 V N 0.432 120.409 119.914 0.104 0.000 2.720 420 V HA -0.155 3.965 4.120 0.001 0.000 0.256 420 V C 1.529 177.731 176.094 0.181 0.000 1.082 420 V CA 1.520 63.886 62.300 0.110 0.000 1.101 420 V CB -0.332 31.540 31.823 0.082 0.000 0.693 420 V HN 0.463 nan 8.190 nan 0.000 0.479 421 A N -1.199 121.763 122.820 0.237 0.000 2.637 421 A HA 0.292 4.612 4.320 0.001 0.000 0.293 421 A C 1.542 179.242 177.584 0.192 0.000 1.216 421 A CA -0.208 52.007 52.037 0.297 0.000 0.956 421 A CB -0.146 19.002 19.000 0.246 0.000 1.174 421 A HN 0.458 nan 8.150 nan 0.000 0.525 422 E N -0.506 119.750 120.200 0.093 0.000 2.118 422 E HA -0.157 4.193 4.350 0.001 0.000 0.195 422 E C 1.604 178.161 176.600 -0.071 0.000 0.992 422 E CA 1.501 57.915 56.400 0.024 0.000 0.804 422 E CB -0.082 29.622 29.700 0.008 0.000 0.741 422 E HN 0.423 nan 8.360 nan 0.000 0.458 423 V N 0.218 120.014 119.914 -0.197 0.000 2.594 423 V HA -0.222 3.898 4.120 0.001 0.000 0.253 423 V C 1.504 177.314 176.094 -0.475 0.000 1.069 423 V CA 1.586 63.640 62.300 -0.411 0.000 1.082 423 V CB -0.408 31.035 31.823 -0.633 0.000 0.680 423 V HN 0.250 nan 8.190 nan 0.000 0.469 424 F N 0.153 120.073 119.950 -0.050 0.000 2.505 424 F HA -0.015 4.513 4.527 0.001 0.000 0.289 424 F C 2.606 178.371 175.800 -0.058 0.000 1.101 424 F CA 1.078 59.037 58.000 -0.068 0.000 1.446 424 F CB -0.620 38.306 39.000 -0.123 0.000 1.123 424 F HN 0.207 nan 8.300 nan 0.000 0.564 425 T N -3.104 111.520 114.554 0.116 0.000 2.937 425 T HA 0.233 4.583 4.350 0.001 0.000 0.260 425 T C 1.984 176.644 174.700 -0.066 0.000 1.051 425 T CA 0.801 62.962 62.100 0.101 0.000 1.141 425 T CB -0.491 68.467 68.868 0.150 0.000 0.879 425 T HN 0.405 nan 8.240 nan 0.000 0.459 426 G N 1.300 110.023 108.800 -0.129 0.000 2.155 426 G HA2 -0.226 3.735 3.960 0.001 0.000 0.257 426 G HA3 -0.226 3.735 3.960 0.001 0.000 0.257 426 G C -0.105 174.551 174.900 -0.406 0.000 0.983 426 G CA 0.499 45.444 45.100 -0.258 0.000 0.676 426 G HN 0.850 nan 8.290 nan 0.000 0.528 427 H N -1.732 117.332 119.070 -0.010 0.000 2.731 427 H HA 0.676 5.233 4.556 0.001 0.000 0.368 427 H C -0.075 175.250 175.328 -0.006 0.000 1.168 427 H CA -1.131 54.908 56.048 -0.015 0.000 1.181 427 H CB 1.593 31.333 29.762 -0.035 0.000 1.743 427 H HN 0.138 nan 8.280 nan 0.000 0.547 428 L N 1.634 122.935 121.223 0.130 0.000 2.380 428 L HA 0.268 4.609 4.340 0.001 0.000 0.273 428 L C 0.937 177.856 176.870 0.082 0.000 1.138 428 L CA 0.335 55.220 54.840 0.074 0.000 0.832 428 L CB 0.511 42.599 42.059 0.050 0.000 1.124 428 L HN 0.866 nan 8.230 nan 0.000 0.454 429 G N 3.964 112.811 108.800 0.079 0.000 2.432 429 G HA2 0.253 4.213 3.960 0.001 0.000 0.239 429 G HA3 0.253 4.213 3.960 0.001 0.000 0.239 429 G C -0.437 174.506 174.900 0.072 0.000 1.291 429 G CA -0.414 44.745 45.100 0.099 0.000 0.863 429 G HN 0.465 nan 8.290 nan 0.000 0.560 430 K N 0.712 121.164 120.400 0.087 0.000 2.426 430 K HA 0.494 4.815 4.320 0.001 0.000 0.251 430 K C -1.237 175.395 176.600 0.053 0.000 0.941 430 K CA -0.801 55.518 56.287 0.053 0.000 0.808 430 K CB 2.855 35.373 32.500 0.029 0.000 1.265 430 K HN 0.388 nan 8.250 nan 0.000 0.432 431 L N 1.792 123.031 121.223 0.026 0.000 2.372 431 L HA 0.405 4.746 4.340 0.001 0.000 0.274 431 L C -1.280 175.599 176.870 0.015 0.000 0.988 431 L CA -0.862 53.987 54.840 0.015 0.000 0.833 431 L CB 1.674 43.734 42.059 0.001 0.000 1.236 431 L HN 0.244 nan 8.230 nan 0.000 0.410 432 V N 6.077 126.000 119.914 0.015 0.000 2.370 432 V HA 0.422 4.542 4.120 0.001 0.000 0.279 432 V C -2.056 174.050 176.094 0.021 0.000 1.029 432 V CA -1.737 60.574 62.300 0.018 0.000 0.870 432 V CB 1.147 32.975 31.823 0.009 0.000 0.984 432 V HN 0.664 nan 8.190 nan 0.000 0.451 433 P HA 0.073 nan 4.420 nan 0.000 0.268 433 P C 0.776 178.091 177.300 0.025 0.000 1.205 433 P CA -0.302 62.813 63.100 0.025 0.000 0.771 433 P CB 0.737 32.454 31.700 0.028 0.000 0.858 434 L N 4.185 125.418 121.223 0.016 0.000 2.021 434 L HA -0.254 4.087 4.340 0.001 0.000 0.215 434 L C 1.873 178.736 176.870 -0.011 0.000 1.074 434 L CA 2.072 56.907 54.840 -0.008 0.000 0.760 434 L CB -0.848 41.212 42.059 0.002 0.000 0.889 434 L HN 0.256 nan 8.230 nan 0.000 0.433 435 K N -0.186 120.222 120.400 0.014 0.000 2.103 435 K HA -0.212 4.109 4.320 0.001 0.000 0.207 435 K C 2.004 178.633 176.600 0.048 0.000 1.048 435 K CA 2.034 58.336 56.287 0.025 0.000 0.930 435 K CB -0.312 32.208 32.500 0.034 0.000 0.716 435 K HN 0.584 nan 8.250 nan 0.000 0.444 436 E N -0.157 120.080 120.200 0.061 0.000 2.299 436 E HA -0.038 4.313 4.350 0.001 0.000 0.193 436 E C 1.771 178.463 176.600 0.154 0.000 0.998 436 E CA 0.723 57.180 56.400 0.095 0.000 0.851 436 E CB 0.124 29.874 29.700 0.083 0.000 0.795 436 E HN 0.233 nan 8.360 nan 0.000 0.492 437 T N 1.250 115.886 114.554 0.137 0.000 2.737 437 T HA -0.102 4.249 4.350 0.001 0.000 0.265 437 T C 1.952 176.841 174.700 0.316 0.000 1.038 437 T CA 0.826 63.065 62.100 0.232 0.000 1.144 437 T CB -0.133 68.802 68.868 0.112 0.000 0.866 437 T HN 0.102 nan 8.240 nan 0.000 0.434 438 I N 0.972 121.614 120.570 0.120 0.000 2.163 438 I HA -0.210 3.960 4.170 0.001 0.000 0.243 438 I C 2.637 178.858 176.117 0.173 0.000 1.085 438 I CA 1.414 62.769 61.300 0.091 0.000 1.347 438 I CB -0.355 37.627 38.000 -0.031 0.000 1.044 438 I HN 0.200 nan 8.210 nan 0.000 0.408 439 K N 1.193 121.678 120.400 0.142 0.000 1.991 439 K HA -0.184 4.137 4.320 0.001 0.000 0.212 439 K C 2.179 178.867 176.600 0.146 0.000 1.049 439 K CA 1.880 58.243 56.287 0.126 0.000 0.932 439 K CB -0.573 31.986 32.500 0.098 0.000 0.717 439 K HN 0.358 nan 8.250 nan 0.000 0.441 440 G N 0.186 109.090 108.800 0.174 0.000 2.469 440 G HA2 -0.256 3.705 3.960 0.001 0.000 0.219 440 G HA3 -0.256 3.705 3.960 0.001 0.000 0.219 440 G C 1.294 176.145 174.900 -0.083 0.000 1.150 440 G CA 1.061 46.180 45.100 0.031 0.000 0.763 440 G HN 0.322 nan 8.290 nan 0.000 0.561 441 F N 0.170 120.246 119.950 0.211 0.000 2.234 441 F HA 0.091 4.618 4.527 0.001 0.000 0.296 441 F C 2.879 178.727 175.800 0.079 0.000 1.089 441 F CA 1.243 59.338 58.000 0.158 0.000 1.343 441 F CB -0.196 38.910 39.000 0.176 0.000 1.040 441 F HN 0.142 nan 8.300 nan 0.000 0.498 442 Q N 0.373 120.319 119.800 0.243 0.000 2.096 442 Q HA -0.278 4.063 4.340 0.001 0.000 0.204 442 Q C 2.044 178.094 176.000 0.083 0.000 0.982 442 Q CA 1.948 57.833 55.803 0.137 0.000 0.850 442 Q CB -0.084 28.720 28.738 0.109 0.000 0.901 442 Q HN 0.497 nan 8.270 nan 0.000 0.422 443 Q N -0.222 119.622 119.800 0.075 0.000 2.123 443 Q HA -0.089 4.252 4.340 0.001 0.000 0.199 443 Q C 2.108 178.119 176.000 0.020 0.000 0.966 443 Q CA 1.202 57.018 55.803 0.023 0.000 0.845 443 Q CB 0.039 28.820 28.738 0.071 0.000 0.907 443 Q HN 0.467 nan 8.270 nan 0.000 0.439 444 I N 0.608 121.218 120.570 0.067 0.000 2.226 444 I HA -0.293 3.877 4.170 0.001 0.000 0.245 444 I C 2.102 178.217 176.117 -0.002 0.000 1.100 444 I CA 1.124 62.439 61.300 0.025 0.000 1.374 444 I CB -0.289 37.641 38.000 -0.117 0.000 1.057 444 I HN 0.210 nan 8.210 nan 0.000 0.413 445 L N 0.702 121.945 121.223 0.035 0.000 2.083 445 L HA -0.178 4.162 4.340 0.001 0.000 0.209 445 L C 2.624 179.496 176.870 0.002 0.000 1.083 445 L CA 1.208 56.064 54.840 0.027 0.000 0.752 445 L CB -0.607 41.486 42.059 0.058 0.000 0.899 445 L HN 0.243 nan 8.230 nan 0.000 0.433 446 A N -0.480 122.335 122.820 -0.007 0.000 2.239 446 A HA 0.190 4.511 4.320 0.001 0.000 0.209 446 A C 1.783 179.341 177.584 -0.044 0.000 1.171 446 A CA 0.847 52.869 52.037 -0.025 0.000 0.768 446 A CB -0.608 18.371 19.000 -0.034 0.000 0.790 446 A HN 0.562 nan 8.150 nan 0.000 0.478 447 G N -0.817 107.956 108.800 -0.046 0.000 2.143 447 G HA2 -0.287 3.674 3.960 0.001 0.000 0.249 447 G HA3 -0.287 3.674 3.960 0.001 0.000 0.249 447 G C 0.516 175.377 174.900 -0.064 0.000 0.981 447 G CA 0.608 45.684 45.100 -0.041 0.000 0.665 447 G HN 0.589 nan 8.290 nan 0.000 0.528 448 E N -1.118 118.983 120.200 -0.166 0.000 2.338 448 E HA -0.001 4.350 4.350 0.001 0.000 0.197 448 E C 0.740 177.080 176.600 -0.433 0.000 1.007 448 E CA 0.841 57.031 56.400 -0.351 0.000 0.849 448 E CB -0.056 29.306 29.700 -0.563 0.000 0.774 448 E HN 0.803 nan 8.360 nan 0.000 0.506 449 Y N -0.748 119.584 120.300 0.053 0.000 2.698 449 Y HA 0.129 4.679 4.550 0.001 0.000 0.261 449 Y C 0.614 176.453 175.900 -0.101 0.000 1.104 449 Y CA -0.691 57.372 58.100 -0.060 0.000 1.145 449 Y CB 0.694 39.186 38.460 0.054 0.000 1.191 449 Y HN -0.098 nan 8.280 nan 0.000 0.564 450 D N 0.023 120.484 120.400 0.102 0.000 2.263 450 D HA -0.176 4.465 4.640 0.001 0.000 0.208 450 D C 2.018 178.369 176.300 0.086 0.000 0.971 450 D CA 1.417 55.455 54.000 0.063 0.000 0.867 450 D CB -0.078 40.755 40.800 0.056 0.000 0.929 450 D HN 0.633 nan 8.370 nan 0.000 0.492 451 H N -0.557 118.564 119.070 0.085 0.000 2.512 451 H HA 0.100 4.657 4.556 0.001 0.000 0.279 451 H C 0.882 176.269 175.328 0.099 0.000 0.999 451 H CA 0.015 56.107 56.048 0.073 0.000 1.283 451 H CB -0.218 29.577 29.762 0.056 0.000 1.421 451 H HN 0.096 nan 8.280 nan 0.000 0.554 452 L N 3.433 124.463 121.223 -0.322 0.000 2.395 452 L HA 0.268 4.609 4.340 0.001 0.000 0.269 452 L C -1.942 174.970 176.870 0.069 0.000 1.133 452 L CA -1.976 52.778 54.840 -0.143 0.000 0.812 452 L CB 0.986 42.916 42.059 -0.215 0.000 1.125 452 L HN 0.088 nan 8.230 nan 0.000 0.452 453 P HA 0.111 nan 4.420 nan 0.000 0.277 453 P C 0.100 177.514 177.300 0.191 0.000 1.240 453 P CA -0.378 62.772 63.100 0.084 0.000 0.798 453 P CB 1.157 32.878 31.700 0.035 0.000 0.979 454 E N 0.895 121.183 120.200 0.146 0.000 2.049 454 E HA -0.257 4.093 4.350 0.001 0.000 0.198 454 E C 1.873 178.623 176.600 0.249 0.000 1.007 454 E CA 1.502 58.006 56.400 0.175 0.000 0.809 454 E CB -0.087 29.644 29.700 0.050 0.000 0.749 454 E HN 0.547 nan 8.360 nan 0.000 0.450 455 Q N 0.029 119.911 119.800 0.136 0.000 2.500 455 Q HA -0.051 4.289 4.340 0.001 0.000 0.213 455 Q C 1.713 177.787 176.000 0.124 0.000 0.974 455 Q CA 1.167 57.051 55.803 0.134 0.000 0.918 455 Q CB 0.010 28.795 28.738 0.079 0.000 0.980 455 Q HN 0.196 nan 8.270 nan 0.000 0.505 456 A N 0.197 123.036 122.820 0.031 0.000 2.119 456 A HA 0.031 4.351 4.320 0.001 0.000 0.217 456 A C 1.160 178.546 177.584 -0.330 0.000 1.153 456 A CA 0.466 52.382 52.037 -0.202 0.000 0.692 456 A CB -0.478 18.288 19.000 -0.391 0.000 0.799 456 A HN 0.341 nan 8.150 nan 0.000 0.458 457 F N -2.744 117.204 119.950 -0.003 0.000 2.746 457 F HA 0.233 4.761 4.527 0.001 0.000 0.297 457 F C 0.707 176.601 175.800 0.157 0.000 1.113 457 F CA -0.481 57.546 58.000 0.046 0.000 1.367 457 F CB -0.083 38.919 39.000 0.005 0.000 1.111 457 F HN 0.266 nan 8.300 nan 0.000 0.590 458 Y N 1.222 121.607 120.300 0.142 0.000 2.346 458 Y HA 0.281 4.832 4.550 0.001 0.000 0.330 458 Y C 0.835 176.716 175.900 -0.032 0.000 1.178 458 Y CA -1.560 56.583 58.100 0.071 0.000 1.331 458 Y CB 0.386 38.881 38.460 0.059 0.000 1.253 458 Y HN 0.029 nan 8.280 nan 0.000 0.529 459 M N 5.323 124.496 119.600 -0.712 0.000 2.212 459 M HA -0.165 4.315 4.480 0.001 0.000 0.193 459 M C -1.071 174.951 176.300 -0.463 0.000 0.493 459 M CA 1.088 55.951 55.300 -0.728 0.000 0.427 459 M CB -2.629 29.318 32.600 -1.088 0.000 1.120 459 M HN 0.460 nan 8.290 nan 0.000 0.929 460 V N -3.273 116.495 119.914 -0.242 0.000 3.126 460 V HA 1.075 5.195 4.120 0.001 0.000 0.314 460 V C 0.778 176.809 176.094 -0.105 0.000 1.138 460 V CA -0.144 62.070 62.300 -0.143 0.000 1.034 460 V CB 1.634 33.427 31.823 -0.050 0.000 1.075 460 V HN 0.390 nan 8.190 nan 0.000 0.442 461 G N 0.364 109.134 108.800 -0.051 0.000 3.142 461 G HA2 0.438 4.398 3.960 0.001 0.000 0.178 461 G HA3 0.438 4.398 3.960 0.001 0.000 0.178 461 G C -2.144 172.765 174.900 0.015 0.000 1.941 461 G CA -0.165 44.914 45.100 -0.035 0.000 0.902 461 G HN 0.783 nan 8.290 nan 0.000 0.517 462 P HA 0.144 nan 4.420 nan 0.000 0.273 462 P C 0.685 178.125 177.300 0.232 0.000 1.250 462 P CA -0.563 62.638 63.100 0.168 0.000 0.793 462 P CB 1.329 33.080 31.700 0.087 0.000 1.011 463 I N 0.718 121.404 120.570 0.193 0.000 2.361 463 I HA -0.238 3.933 4.170 0.001 0.000 0.251 463 I C 1.907 177.900 176.117 -0.206 0.000 1.133 463 I CA 1.662 62.864 61.300 -0.163 0.000 1.413 463 I CB -0.957 36.876 38.000 -0.278 0.000 1.073 463 I HN 0.266 nan 8.210 nan 0.000 0.424 464 E N 0.605 120.757 120.200 -0.080 0.000 2.097 464 E HA -0.255 4.096 4.350 0.001 0.000 0.196 464 E C 2.100 178.633 176.600 -0.113 0.000 1.000 464 E CA 1.732 58.084 56.400 -0.079 0.000 0.804 464 E CB -0.274 29.412 29.700 -0.024 0.000 0.740 464 E HN 0.591 nan 8.360 nan 0.000 0.454 465 E N -0.238 119.910 120.200 -0.087 0.000 2.204 465 E HA -0.094 4.257 4.350 0.001 0.000 0.194 465 E C 1.954 178.449 176.600 -0.175 0.000 0.989 465 E CA 0.726 57.069 56.400 -0.095 0.000 0.824 465 E CB -0.063 29.607 29.700 -0.051 0.000 0.756 465 E HN 0.283 nan 8.360 nan 0.000 0.477 466 A N 1.023 123.678 122.820 -0.275 0.000 1.897 466 A HA -0.095 4.226 4.320 0.001 0.000 0.215 466 A C 2.496 179.739 177.584 -0.567 0.000 1.181 466 A CA 0.811 52.538 52.037 -0.516 0.000 0.620 466 A CB -0.538 17.957 19.000 -0.842 0.000 0.821 466 A HN 0.082 nan 8.150 nan 0.000 0.443 467 V N 0.118 119.735 119.914 -0.494 0.000 2.233 467 V HA -0.279 3.842 4.120 0.001 0.000 0.247 467 V C 3.087 179.060 176.094 -0.202 0.000 1.050 467 V CA 2.087 64.181 62.300 -0.343 0.000 1.010 467 V CB -1.368 30.327 31.823 -0.213 0.000 0.637 467 V HN 0.599 nan 8.190 nan 0.000 0.444 468 A N -0.653 122.076 122.820 -0.153 0.000 1.986 468 A HA -0.310 4.011 4.320 0.001 0.000 0.220 468 A C 2.350 179.874 177.584 -0.101 0.000 1.171 468 A CA 2.361 54.339 52.037 -0.098 0.000 0.640 468 A CB -0.539 18.417 19.000 -0.073 0.000 0.811 468 A HN 0.544 nan 8.150 nan 0.000 0.451 469 K N -0.626 119.688 120.400 -0.143 0.000 2.103 469 K HA 0.016 4.336 4.320 0.001 0.000 0.204 469 K C 2.178 178.706 176.600 -0.120 0.000 1.052 469 K CA 0.926 57.139 56.287 -0.122 0.000 0.945 469 K CB -0.262 32.151 32.500 -0.145 0.000 0.722 469 K HN 0.398 nan 8.250 nan 0.000 0.443 470 A N 1.651 124.367 122.820 -0.175 0.000 1.902 470 A HA -0.181 4.139 4.320 0.001 0.000 0.217 470 A C 1.571 179.115 177.584 -0.067 0.000 1.181 470 A CA 1.923 53.877 52.037 -0.138 0.000 0.623 470 A CB -0.486 18.397 19.000 -0.194 0.000 0.818 470 A HN 0.322 nan 8.150 nan 0.000 0.443 471 D N -0.354 120.011 120.400 -0.059 0.000 2.117 471 D HA -0.134 4.506 4.640 0.001 0.000 0.197 471 D C 1.832 178.120 176.300 -0.021 0.000 0.987 471 D CA 1.392 55.376 54.000 -0.027 0.000 0.829 471 D CB -0.282 40.504 40.800 -0.024 0.000 0.961 471 D HN 0.475 nan 8.370 nan 0.000 0.460 472 K N 0.096 120.479 120.400 -0.029 0.000 2.209 472 K HA 0.011 4.331 4.320 0.001 0.000 0.204 472 K C 1.715 178.310 176.600 -0.009 0.000 1.048 472 K CA 0.261 56.538 56.287 -0.017 0.000 0.940 472 K CB -0.037 32.453 32.500 -0.017 0.000 0.729 472 K HN 0.127 nan 8.250 nan 0.000 0.451 473 L N 1.111 122.325 121.223 -0.014 0.000 2.650 473 L HA 0.043 4.383 4.340 0.001 0.000 0.235 473 L C 0.609 177.479 176.870 0.000 0.000 1.149 473 L CA -0.156 54.681 54.840 -0.005 0.000 0.887 473 L CB -0.782 41.272 42.059 -0.009 0.000 1.021 473 L HN 0.192 nan 8.230 nan 0.000 0.441 474 A N 0.000 122.820 122.820 -0.000 0.000 2.254 474 A HA 0.000 4.320 4.320 0.001 0.000 0.244 474 A CA 0.000 52.039 52.037 0.004 0.000 0.836 474 A CB 0.000 19.003 19.000 0.004 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486