REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2wss_1_C DATA FIRST_RESID 27 DATA SEQUENCE ETGRVLSIGD GIARVHGLRN VQAEEMVEFS SGLKGMSLNL EPDNVGVVVF DATA SEQUENCE GNDKLIKEGD IVKRTGAIVD VPVGEELLGR VVDALGNAID GKGPIGSKAR DATA SEQUENCE RRVGLKAPGI IPRISVREPM QTGIKAVDSL VPIGRGQREL IIGDRQTGKT DATA SEQUENCE SIAIDTIINQ KRFNDGTDEK KKLYCIYVAI GQKRSTVAQL VKRLTDADAM DATA SEQUENCE KYTIVVSATA SDAAPLQYLA PYSGCSMGEY FRDNGKHALI IYDDLSKQAV DATA SEQUENCE AYRQMSLLLR RPPGREAYPG DVFYLHSRLL ERAAKMNDAF GGGSLTALPV DATA SEQUENCE IETQAGDVSA YIPTNVISIT DGQIFLETEL FYKGIRPAIN VGLSVSRVGS DATA SEQUENCE AAQTRAMKQV AGTMKLELAQ YREVAAFAQF GSDLDAATQQ LLSRGVRLTE DATA SEQUENCE LLKQGQYSPM AIEEQVAVIY AGVRGYLDKL EPSKITKFEN AFLSHVISQH DATA SEQUENCE QALLGKIRTD GKISEESDAK LKEIVTNFLA GFEA 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 27 E HA 0.000 nan 4.350 nan 0.000 0.291 27 E C 0.000 176.574 176.600 -0.043 0.000 1.382 27 E CA 0.000 56.381 56.400 -0.032 0.000 0.976 27 E CB 0.000 29.684 29.700 -0.027 0.000 0.812 28 T N -2.368 112.157 114.554 -0.049 0.000 2.705 28 T HA 0.663 5.013 4.350 0.001 0.000 0.281 28 T C 0.488 175.149 174.700 -0.066 0.000 1.851 28 T CA 0.396 62.458 62.100 -0.064 0.000 0.991 28 T CB -0.406 68.415 68.868 -0.078 0.000 2.076 28 T HN 1.559 nan 8.240 nan 0.000 0.510 29 G N 0.024 108.777 108.800 -0.079 0.000 3.247 29 G HA2 0.674 4.635 3.960 0.001 0.000 0.226 29 G HA3 0.674 4.635 3.960 0.001 0.000 0.226 29 G C -0.585 174.288 174.900 -0.045 0.000 1.220 29 G CA -0.393 44.666 45.100 -0.069 0.000 0.875 29 G HN 0.704 nan 8.290 nan 0.000 0.606 30 R N -1.072 119.417 120.500 -0.019 0.000 2.822 30 R HA 0.445 4.785 4.340 0.001 0.000 0.277 30 R C -0.567 175.775 176.300 0.070 0.000 1.102 30 R CA -0.358 55.767 56.100 0.042 0.000 1.207 30 R CB 0.832 31.189 30.300 0.095 0.000 1.139 30 R HN 0.168 nan 8.270 nan 0.000 0.557 31 V N 2.785 122.762 119.914 0.104 0.000 2.378 31 V HA 0.159 4.280 4.120 0.001 0.000 0.288 31 V C 1.363 177.523 176.094 0.111 0.000 1.016 31 V CA -0.248 62.132 62.300 0.132 0.000 0.840 31 V CB 1.635 33.565 31.823 0.178 0.000 0.994 31 V HN 0.630 nan 8.190 nan 0.000 0.431 32 L N 3.723 125.011 121.223 0.109 0.000 2.131 32 L HA 0.114 4.454 4.340 0.001 0.000 0.206 32 L C 0.788 177.693 176.870 0.057 0.000 1.087 32 L CA 1.252 56.141 54.840 0.082 0.000 0.767 32 L CB 0.443 42.551 42.059 0.082 0.000 0.917 32 L HN 0.864 nan 8.230 nan 0.000 0.441 33 S N -1.622 114.116 115.700 0.063 0.000 2.580 33 S HA 0.466 4.936 4.470 0.001 0.000 0.281 33 S C -1.113 173.514 174.600 0.046 0.000 1.129 33 S CA -0.971 57.255 58.200 0.043 0.000 0.862 33 S CB 1.689 64.906 63.200 0.029 0.000 1.090 33 S HN 0.035 nan 8.310 nan 0.000 0.451 34 I N 0.619 121.204 120.570 0.025 0.000 2.722 34 I HA 0.928 5.098 4.170 0.001 0.000 0.295 34 I C -0.458 175.654 176.117 -0.009 0.000 1.161 34 I CA 0.347 61.652 61.300 0.008 0.000 1.032 34 I CB 1.894 39.889 38.000 -0.009 0.000 1.244 34 I HN 1.477 nan 8.210 nan 0.000 0.421 35 G N 4.366 113.155 108.800 -0.019 0.000 2.503 35 G HA2 0.373 4.334 3.960 0.001 0.000 0.305 35 G HA3 0.373 4.334 3.960 0.001 0.000 0.305 35 G C -1.066 173.816 174.900 -0.031 0.000 1.575 35 G CA -0.339 44.746 45.100 -0.024 0.000 0.890 35 G HN 0.770 nan 8.290 nan 0.000 0.612 36 D N -0.013 120.365 120.400 -0.037 0.000 3.012 36 D HA -0.213 4.427 4.640 0.001 0.000 0.222 36 D C 1.598 177.868 176.300 -0.050 0.000 1.167 36 D CA 2.725 56.700 54.000 -0.042 0.000 0.854 36 D CB -1.102 39.674 40.800 -0.040 0.000 1.107 36 D HN 2.292 nan 8.370 nan 0.000 0.421 37 G N -0.778 107.990 108.800 -0.054 0.000 2.141 37 G HA2 -0.276 3.685 3.960 0.001 0.000 0.242 37 G HA3 -0.276 3.685 3.960 0.001 0.000 0.242 37 G C 0.075 174.950 174.900 -0.041 0.000 0.982 37 G CA 0.231 45.294 45.100 -0.061 0.000 0.662 37 G HN 0.412 nan 8.290 nan 0.000 0.527 38 I N 1.295 121.850 120.570 -0.026 0.000 2.390 38 I HA 0.667 4.838 4.170 0.001 0.000 0.283 38 I C 0.479 176.614 176.117 0.030 0.000 1.016 38 I CA -1.297 60.005 61.300 0.003 0.000 1.151 38 I CB 0.909 38.903 38.000 -0.009 0.000 1.293 38 I HN 0.366 nan 8.210 nan 0.000 0.458 39 A N 7.780 130.649 122.820 0.082 0.000 2.260 39 A HA 0.711 5.031 4.320 0.001 0.000 0.314 39 A C 0.130 177.795 177.584 0.134 0.000 1.257 39 A CA -0.707 51.408 52.037 0.131 0.000 0.871 39 A CB 0.723 19.880 19.000 0.262 0.000 1.166 39 A HN 0.512 nan 8.150 nan 0.000 0.522 40 R N 1.275 121.836 120.500 0.101 0.000 2.410 40 R HA 0.535 4.875 4.340 0.001 0.000 0.288 40 R C -0.956 175.409 176.300 0.109 0.000 1.051 40 R CA -0.446 55.709 56.100 0.090 0.000 1.021 40 R CB 1.238 31.578 30.300 0.066 0.000 1.032 40 R HN 0.400 nan 8.270 nan 0.000 0.481 41 V N 2.900 122.873 119.914 0.099 0.000 2.569 41 V HA 0.097 4.217 4.120 0.001 0.000 0.301 41 V C -0.707 175.452 176.094 0.108 0.000 1.044 41 V CA -0.847 61.509 62.300 0.094 0.000 0.874 41 V CB 1.562 33.414 31.823 0.047 0.000 1.002 41 V HN 0.750 nan 8.190 nan 0.000 0.424 42 H N 3.820 122.903 119.070 0.023 0.000 2.821 42 H HA 0.715 5.271 4.556 0.001 0.000 0.262 42 H C 0.299 175.632 175.328 0.008 0.000 1.402 42 H CA 0.747 56.804 56.048 0.016 0.000 1.293 42 H CB 0.363 30.135 29.762 0.017 0.000 1.533 42 H HN 0.926 nan 8.280 nan 0.000 0.528 43 G N 2.205 110.845 108.800 -0.266 0.000 2.553 43 G HA2 -0.074 3.887 3.960 0.001 0.000 0.106 43 G HA3 -0.074 3.887 3.960 0.001 0.000 0.106 43 G C -0.174 174.650 174.900 -0.127 0.000 1.126 43 G CA -0.351 44.590 45.100 -0.265 0.000 1.075 43 G HN 0.602 nan 8.290 nan 0.000 0.472 44 L N 0.689 121.852 121.223 -0.099 0.000 3.991 44 L HA -0.243 4.098 4.340 0.001 0.000 0.437 44 L C 2.386 179.226 176.870 -0.051 0.000 1.138 44 L CA 0.681 55.480 54.840 -0.068 0.000 0.964 44 L CB -0.498 41.526 42.059 -0.059 0.000 1.867 44 L HN 0.530 nan 8.230 nan 0.000 1.028 45 R N -0.098 120.366 120.500 -0.059 0.000 2.226 45 R HA -0.139 4.202 4.340 0.001 0.000 0.246 45 R C 1.012 177.299 176.300 -0.022 0.000 1.161 45 R CA 1.491 57.568 56.100 -0.039 0.000 0.997 45 R CB -0.513 29.761 30.300 -0.043 0.000 0.870 45 R HN 0.576 nan 8.270 nan 0.000 0.465 46 N N -0.407 118.279 118.700 -0.024 0.000 2.275 46 N HA 0.033 4.773 4.740 0.001 0.000 0.236 46 N C -0.609 174.894 175.510 -0.012 0.000 1.154 46 N CA -0.107 52.934 53.050 -0.015 0.000 0.866 46 N CB 0.946 39.424 38.487 -0.015 0.000 1.093 46 N HN -0.104 nan 8.380 nan 0.000 0.515 47 V N 1.029 120.935 119.914 -0.013 0.000 2.555 47 V HA 0.121 4.241 4.120 0.001 0.000 0.286 47 V C 0.119 176.215 176.094 0.003 0.000 1.044 47 V CA -0.389 61.905 62.300 -0.010 0.000 1.026 47 V CB 0.695 32.510 31.823 -0.014 0.000 0.981 47 V HN 0.277 nan 8.190 nan 0.000 0.480 48 Q N 4.739 124.543 119.800 0.007 0.000 2.364 48 Q HA 0.425 4.766 4.340 0.001 0.000 0.267 48 Q C 0.346 176.363 176.000 0.029 0.000 0.999 48 Q CA 0.183 55.996 55.803 0.017 0.000 0.886 48 Q CB 0.947 29.694 28.738 0.016 0.000 1.243 48 Q HN 1.001 nan 8.270 nan 0.000 0.415 49 A N 3.036 125.877 122.820 0.036 0.000 2.524 49 A HA 0.022 4.342 4.320 0.001 0.000 0.250 49 A C 0.475 178.096 177.584 0.060 0.000 1.078 49 A CA 0.166 52.234 52.037 0.051 0.000 0.761 49 A CB 0.027 19.058 19.000 0.052 0.000 1.012 49 A HN 0.983 nan 8.150 nan 0.000 0.500 50 E N -0.548 119.700 120.200 0.080 0.000 4.129 50 E HA -0.172 4.179 4.350 0.001 0.000 0.354 50 E C 0.232 176.881 176.600 0.082 0.000 0.673 50 E CA 1.241 57.700 56.400 0.097 0.000 1.347 50 E CB -1.153 28.598 29.700 0.085 0.000 1.722 50 E HN 0.963 nan 8.360 nan 0.000 0.410 51 E N 1.015 121.251 120.200 0.060 0.000 2.313 51 E HA 0.300 4.651 4.350 0.001 0.000 0.276 51 E C -0.042 176.586 176.600 0.046 0.000 1.031 51 E CA -0.213 56.210 56.400 0.038 0.000 0.857 51 E CB 0.756 30.467 29.700 0.018 0.000 1.040 51 E HN 0.126 nan 8.360 nan 0.000 0.408 52 M N 5.765 125.380 119.600 0.025 0.000 2.162 52 M HA 0.157 4.637 4.480 0.001 0.000 0.356 52 M C -0.555 175.736 176.300 -0.014 0.000 1.303 52 M CA -0.569 54.742 55.300 0.018 0.000 1.116 52 M CB 0.704 33.275 32.600 -0.049 0.000 1.632 52 M HN 0.419 nan 8.290 nan 0.000 0.469 53 V N 1.982 121.885 119.914 -0.018 0.000 3.336 53 V HA 0.671 4.792 4.120 0.001 0.000 0.314 53 V C -0.593 175.440 176.094 -0.102 0.000 1.088 53 V CA -0.718 61.523 62.300 -0.098 0.000 1.033 53 V CB 1.592 33.298 31.823 -0.195 0.000 1.181 53 V HN 0.953 nan 8.190 nan 0.000 0.449 54 E N -0.622 119.480 120.200 -0.162 0.000 2.312 54 E HA 0.584 4.934 4.350 0.001 0.000 0.267 54 E C -1.864 174.618 176.600 -0.197 0.000 0.894 54 E CA -0.791 55.556 56.400 -0.089 0.000 0.773 54 E CB 2.135 31.816 29.700 -0.032 0.000 1.241 54 E HN 0.592 nan 8.360 nan 0.000 0.432 55 F N 1.509 121.474 119.950 0.025 0.000 2.432 55 F HA 0.214 4.741 4.527 0.001 0.000 0.329 55 F C 1.740 177.552 175.800 0.020 0.000 1.076 55 F CA 0.006 58.023 58.000 0.028 0.000 1.018 55 F CB 1.780 40.802 39.000 0.038 0.000 1.201 55 F HN 0.638 nan 8.300 nan 0.000 0.489 56 S N 1.197 117.046 115.700 0.247 0.000 2.422 56 S HA -0.309 4.161 4.470 0.001 0.000 0.248 56 S C 2.069 176.744 174.600 0.126 0.000 1.069 56 S CA 2.571 60.860 58.200 0.148 0.000 1.214 56 S CB -0.875 62.412 63.200 0.144 0.000 1.122 56 S HN 0.755 nan 8.310 nan 0.000 0.432 57 S N 0.260 116.041 115.700 0.135 0.000 2.641 57 S HA 0.294 4.765 4.470 0.001 0.000 0.239 57 S C 1.443 176.092 174.600 0.082 0.000 0.972 57 S CA 1.020 59.270 58.200 0.083 0.000 0.954 57 S CB -0.755 62.476 63.200 0.051 0.000 0.767 57 S HN 1.735 nan 8.310 nan 0.000 0.539 58 G N 0.297 109.163 108.800 0.109 0.000 2.130 58 G HA2 -0.205 3.756 3.960 0.001 0.000 0.216 58 G HA3 -0.205 3.756 3.960 0.001 0.000 0.216 58 G C -0.239 174.724 174.900 0.104 0.000 0.999 58 G CA -0.039 45.112 45.100 0.085 0.000 0.686 58 G HN 0.538 nan 8.290 nan 0.000 0.515 59 L N 0.897 122.226 121.223 0.177 0.000 2.264 59 L HA 0.405 4.746 4.340 0.001 0.000 0.289 59 L C 0.626 177.671 176.870 0.292 0.000 1.044 59 L CA -0.753 54.205 54.840 0.196 0.000 0.807 59 L CB 0.865 43.008 42.059 0.140 0.000 1.192 59 L HN 0.089 nan 8.230 nan 0.000 0.425 60 K N 3.294 123.800 120.400 0.177 0.000 2.349 60 K HA 0.297 4.618 4.320 0.001 0.000 0.288 60 K C 0.368 177.144 176.600 0.293 0.000 1.058 60 K CA -0.214 56.146 56.287 0.121 0.000 0.953 60 K CB 1.155 33.608 32.500 -0.078 0.000 0.997 60 K HN 0.729 nan 8.250 nan 0.000 0.477 61 G N 2.388 111.409 108.800 0.368 0.000 2.940 61 G HA2 0.690 4.651 3.960 0.001 0.000 0.164 61 G HA3 0.690 4.651 3.960 0.001 0.000 0.164 61 G C -0.983 174.216 174.900 0.499 0.000 1.326 61 G CA -0.583 44.860 45.100 0.572 0.000 1.020 61 G HN 0.570 nan 8.290 nan 0.000 0.586 62 M N -0.315 119.535 119.600 0.417 0.000 2.366 62 M HA 0.364 4.845 4.480 0.001 0.000 0.287 62 M C -1.562 174.868 176.300 0.216 0.000 1.083 62 M CA -0.388 55.114 55.300 0.336 0.000 0.934 62 M CB 1.632 34.572 32.600 0.567 0.000 1.852 62 M HN 0.441 nan 8.290 nan 0.000 0.502 63 S N 3.905 119.695 115.700 0.150 0.000 2.545 63 S HA 0.628 5.099 4.470 0.001 0.000 0.275 63 S C 0.187 174.860 174.600 0.122 0.000 1.299 63 S CA -0.424 57.841 58.200 0.110 0.000 1.048 63 S CB 1.236 64.478 63.200 0.070 0.000 0.938 63 S HN 0.730 nan 8.310 nan 0.000 0.496 64 L N 2.344 123.630 121.223 0.104 0.000 3.122 64 L HA 0.296 4.636 4.340 0.001 0.000 0.296 64 L C -0.572 176.345 176.870 0.078 0.000 1.040 64 L CA 0.155 55.058 54.840 0.104 0.000 1.164 64 L CB 0.386 42.511 42.059 0.109 0.000 1.990 64 L HN 0.384 nan 8.230 nan 0.000 0.579 65 N N 1.395 120.134 118.700 0.065 0.000 2.621 65 N HA 0.402 5.142 4.740 0.001 0.000 0.237 65 N C -1.003 174.537 175.510 0.050 0.000 0.997 65 N CA -0.081 53.001 53.050 0.053 0.000 0.918 65 N CB 0.968 39.480 38.487 0.042 0.000 1.122 65 N HN 0.034 nan 8.380 nan 0.000 0.510 66 L N 2.239 123.491 121.223 0.048 0.000 2.334 66 L HA 0.327 4.667 4.340 0.001 0.000 0.286 66 L C 0.412 177.305 176.870 0.038 0.000 1.108 66 L CA -0.094 54.770 54.840 0.041 0.000 0.875 66 L CB -0.040 42.042 42.059 0.038 0.000 1.246 66 L HN 0.346 nan 8.230 nan 0.000 0.439 67 E N 3.297 123.520 120.200 0.038 0.000 2.243 67 E HA 0.325 4.675 4.350 0.001 0.000 0.260 67 E C -1.636 174.986 176.600 0.037 0.000 0.985 67 E CA -1.848 54.574 56.400 0.036 0.000 0.858 67 E CB 1.160 30.882 29.700 0.036 0.000 1.210 67 E HN 0.206 nan 8.360 nan 0.000 0.411 68 P HA -0.225 nan 4.420 nan 0.000 0.217 68 P C 0.407 177.736 177.300 0.049 0.000 1.162 68 P CA 1.668 64.790 63.100 0.036 0.000 0.901 68 P CB 0.063 31.783 31.700 0.032 0.000 0.793 69 D N -2.409 118.026 120.400 0.058 0.000 2.538 69 D HA 0.126 4.766 4.640 0.001 0.000 0.231 69 D C -0.327 176.041 176.300 0.114 0.000 1.229 69 D CA -0.593 53.461 54.000 0.090 0.000 0.828 69 D CB -1.038 39.802 40.800 0.067 0.000 1.035 69 D HN 0.332 nan 8.370 nan 0.000 0.495 70 N N -1.989 116.762 118.700 0.084 0.000 4.455 70 N HA 0.135 4.875 4.740 0.001 0.000 0.204 70 N C -2.278 173.267 175.510 0.058 0.000 1.182 70 N CA -0.875 52.225 53.050 0.084 0.000 0.916 70 N CB 0.812 39.350 38.487 0.086 0.000 1.543 70 N HN -0.192 nan 8.380 nan 0.000 0.536 71 V N 0.969 120.915 119.914 0.053 0.000 2.328 71 V HA 0.730 4.850 4.120 0.001 0.000 0.278 71 V C 1.014 177.146 176.094 0.063 0.000 1.021 71 V CA -0.215 62.115 62.300 0.049 0.000 0.838 71 V CB 0.772 32.614 31.823 0.032 0.000 0.999 71 V HN 0.878 nan 8.190 nan 0.000 0.447 72 G N 4.308 113.145 108.800 0.062 0.000 2.361 72 G HA2 0.440 4.401 3.960 0.001 0.000 0.260 72 G HA3 0.440 4.401 3.960 0.001 0.000 0.260 72 G C -0.609 174.342 174.900 0.085 0.000 1.261 72 G CA -0.037 45.104 45.100 0.068 0.000 0.897 72 G HN 0.545 nan 8.290 nan 0.000 0.499 73 V N 3.527 123.511 119.914 0.118 0.000 2.531 73 V HA 0.318 4.439 4.120 0.001 0.000 0.301 73 V C 0.330 176.520 176.094 0.160 0.000 1.034 73 V CA -0.829 61.568 62.300 0.162 0.000 0.865 73 V CB 1.883 33.843 31.823 0.228 0.000 0.995 73 V HN 0.846 nan 8.190 nan 0.000 0.424 74 V N 4.082 124.076 119.914 0.132 0.000 2.387 74 V HA 0.451 4.571 4.120 0.001 0.000 0.260 74 V C 0.178 176.319 176.094 0.080 0.000 1.054 74 V CA -0.382 61.947 62.300 0.047 0.000 0.967 74 V CB 0.892 32.688 31.823 -0.046 0.000 1.036 74 V HN 0.500 nan 8.190 nan 0.000 0.481 75 V N 6.244 126.197 119.914 0.065 0.000 2.540 75 V HA 0.091 4.212 4.120 0.001 0.000 0.297 75 V C 0.699 176.826 176.094 0.054 0.000 1.024 75 V CA 0.391 62.748 62.300 0.094 0.000 1.105 75 V CB 0.050 31.828 31.823 -0.075 0.000 0.938 75 V HN 0.841 nan 8.190 nan 0.000 0.482 76 F N 4.310 124.305 119.950 0.075 0.000 2.913 76 F HA 0.539 5.066 4.527 0.001 0.000 0.293 76 F C 1.128 176.945 175.800 0.027 0.000 1.223 76 F CA 0.662 58.698 58.000 0.060 0.000 1.393 76 F CB -0.003 39.041 39.000 0.073 0.000 1.102 76 F HN 0.723 nan 8.300 nan 0.000 0.524 77 G N -0.246 108.615 108.800 0.102 0.000 2.323 77 G HA2 -0.007 3.953 3.960 0.001 0.000 0.291 77 G HA3 -0.007 3.953 3.960 0.001 0.000 0.291 77 G C -1.261 173.633 174.900 -0.009 0.000 1.278 77 G CA -1.276 43.855 45.100 0.051 0.000 0.860 77 G HN 0.071 nan 8.290 nan 0.000 0.504 78 N N 1.204 119.896 118.700 -0.013 0.000 2.386 78 N HA 0.047 4.787 4.740 0.001 0.000 0.273 78 N C 0.334 175.803 175.510 -0.068 0.000 1.331 78 N CA 0.480 53.509 53.050 -0.034 0.000 0.891 78 N CB 0.224 38.698 38.487 -0.022 0.000 1.139 78 N HN 0.516 nan 8.380 nan 0.000 0.487 79 D N 3.665 124.014 120.400 -0.086 0.000 2.870 79 D HA -0.041 4.599 4.640 0.001 0.000 0.241 79 D C 0.874 177.118 176.300 -0.093 0.000 1.234 79 D CA -0.054 53.869 54.000 -0.128 0.000 0.844 79 D CB 0.296 41.012 40.800 -0.140 0.000 1.051 79 D HN 0.645 nan 8.370 nan 0.000 0.469 80 K N 0.669 121.027 120.400 -0.069 0.000 2.128 80 K HA -0.039 4.281 4.320 0.001 0.000 0.202 80 K C 1.990 178.561 176.600 -0.049 0.000 1.050 80 K CA 0.003 56.261 56.287 -0.048 0.000 0.966 80 K CB -0.138 32.343 32.500 -0.032 0.000 0.759 80 K HN 0.118 nan 8.250 nan 0.000 0.454 81 L N 1.578 122.767 121.223 -0.056 0.000 2.187 81 L HA -0.015 4.325 4.340 0.001 0.000 0.213 81 L C 1.343 178.180 176.870 -0.054 0.000 1.100 81 L CA 0.586 55.399 54.840 -0.044 0.000 0.765 81 L CB -0.647 41.387 42.059 -0.041 0.000 0.904 81 L HN 0.166 nan 8.230 nan 0.000 0.437 82 I N 0.258 120.764 120.570 -0.107 0.000 2.720 82 I HA 0.142 4.312 4.170 0.001 0.000 0.287 82 I C -0.031 176.059 176.117 -0.045 0.000 1.090 82 I CA 0.122 61.356 61.300 -0.110 0.000 1.384 82 I CB 0.877 38.713 38.000 -0.273 0.000 1.420 82 I HN 0.084 nan 8.210 nan 0.000 0.575 83 K N 3.261 123.661 120.400 -0.001 0.000 2.536 83 K HA 0.304 4.625 4.320 0.001 0.000 0.269 83 K C -1.059 175.564 176.600 0.038 0.000 0.965 83 K CA -0.962 55.333 56.287 0.013 0.000 0.860 83 K CB 1.938 34.449 32.500 0.018 0.000 1.423 83 K HN 0.534 nan 8.250 nan 0.000 0.438 84 E N 0.190 120.410 120.200 0.033 0.000 2.467 84 E HA 0.013 4.363 4.350 0.001 0.000 0.264 84 E C 0.675 177.308 176.600 0.055 0.000 1.020 84 E CA 1.589 58.016 56.400 0.046 0.000 0.945 84 E CB 0.186 29.905 29.700 0.033 0.000 0.942 84 E HN 0.718 nan 8.360 nan 0.000 0.449 85 G N 3.414 112.255 108.800 0.069 0.000 2.284 85 G HA2 -0.302 3.659 3.960 0.001 0.000 0.247 85 G HA3 -0.302 3.659 3.960 0.001 0.000 0.247 85 G C 0.207 175.152 174.900 0.075 0.000 1.012 85 G CA 0.316 45.456 45.100 0.066 0.000 0.618 85 G HN 0.710 nan 8.290 nan 0.000 0.521 86 D N -0.012 120.444 120.400 0.093 0.000 2.261 86 D HA 0.332 4.972 4.640 0.001 0.000 0.233 86 D C 0.542 176.906 176.300 0.106 0.000 1.348 86 D CA 0.438 54.506 54.000 0.113 0.000 0.886 86 D CB 0.264 41.167 40.800 0.172 0.000 1.227 86 D HN 0.235 nan 8.370 nan 0.000 0.498 87 I N 0.240 120.870 120.570 0.099 0.000 2.406 87 I HA 0.229 4.400 4.170 0.001 0.000 0.290 87 I C -0.829 175.279 176.117 -0.014 0.000 0.999 87 I CA -0.473 60.851 61.300 0.040 0.000 1.124 87 I CB 1.699 39.713 38.000 0.023 0.000 1.289 87 I HN -0.018 nan 8.210 nan 0.000 0.441 88 V N 7.305 127.155 119.914 -0.106 0.000 2.495 88 V HA 0.555 4.675 4.120 0.001 0.000 0.298 88 V C -0.429 175.554 176.094 -0.185 0.000 1.031 88 V CA -0.894 61.236 62.300 -0.283 0.000 0.871 88 V CB 1.615 33.178 31.823 -0.432 0.000 0.988 88 V HN 0.681 nan 8.190 nan 0.000 0.432 89 K N 4.079 124.371 120.400 -0.180 0.000 2.378 89 K HA 0.691 5.012 4.320 0.001 0.000 0.252 89 K C -0.592 175.944 176.600 -0.105 0.000 0.931 89 K CA -0.965 55.256 56.287 -0.109 0.000 0.794 89 K CB 2.408 34.867 32.500 -0.069 0.000 1.181 89 K HN 0.433 nan 8.250 nan 0.000 0.425 90 R N 0.619 121.073 120.500 -0.078 0.000 2.827 90 R HA 0.060 4.400 4.340 0.001 0.000 0.269 90 R C 0.363 176.632 176.300 -0.050 0.000 1.048 90 R CA 0.262 56.325 56.100 -0.062 0.000 1.173 90 R CB 0.450 30.723 30.300 -0.046 0.000 1.070 90 R HN 0.730 nan 8.270 nan 0.000 0.498 91 T N -0.545 113.983 114.554 -0.042 0.000 2.964 91 T HA 0.155 4.505 4.350 0.001 0.000 0.249 91 T C 1.175 175.859 174.700 -0.027 0.000 1.000 91 T CA 0.494 62.572 62.100 -0.036 0.000 0.992 91 T CB 0.625 69.469 68.868 -0.039 0.000 1.087 91 T HN 0.904 nan 8.240 nan 0.000 0.489 92 G N 1.829 110.615 108.800 -0.024 0.000 2.304 92 G HA2 -0.179 3.782 3.960 0.001 0.000 0.252 92 G HA3 -0.179 3.782 3.960 0.001 0.000 0.252 92 G C 0.320 175.213 174.900 -0.012 0.000 1.014 92 G CA 0.073 45.163 45.100 -0.016 0.000 0.619 92 G HN 0.934 nan 8.290 nan 0.000 0.525 93 A N 1.337 124.148 122.820 -0.016 0.000 2.309 93 A HA 0.712 5.033 4.320 0.001 0.000 0.298 93 A C 0.609 178.187 177.584 -0.010 0.000 1.165 93 A CA -0.518 51.511 52.037 -0.014 0.000 0.821 93 A CB 0.498 19.485 19.000 -0.022 0.000 1.102 93 A HN 0.537 nan 8.150 nan 0.000 0.500 94 I N 2.188 122.756 120.570 -0.002 0.000 2.779 94 I HA 0.087 4.257 4.170 0.001 0.000 0.285 94 I C 0.560 176.673 176.117 -0.007 0.000 1.134 94 I CA -0.015 61.288 61.300 0.005 0.000 1.398 94 I CB 0.875 38.881 38.000 0.010 0.000 1.404 94 I HN 0.362 nan 8.210 nan 0.000 0.587 95 V N 5.231 125.143 119.914 -0.003 0.000 2.655 95 V HA 0.130 4.250 4.120 0.001 0.000 0.300 95 V C 0.137 176.215 176.094 -0.027 0.000 1.044 95 V CA -0.129 62.153 62.300 -0.031 0.000 1.095 95 V CB 0.485 32.294 31.823 -0.023 0.000 0.952 95 V HN 0.918 nan 8.190 nan 0.000 0.485 96 D N 2.843 123.217 120.400 -0.043 0.000 2.596 96 D HA 0.696 5.337 4.640 0.001 0.000 0.262 96 D C -0.880 175.399 176.300 -0.034 0.000 1.210 96 D CA -0.548 53.436 54.000 -0.028 0.000 0.873 96 D CB 2.262 43.049 40.800 -0.022 0.000 1.408 96 D HN 0.698 nan 8.370 nan 0.000 0.441 97 V N -4.253 115.648 119.914 -0.021 0.000 3.120 97 V HA 0.636 4.757 4.120 0.001 0.000 0.303 97 V C -3.114 172.965 176.094 -0.025 0.000 1.238 97 V CA -2.064 60.222 62.300 -0.024 0.000 1.008 97 V CB 1.931 33.746 31.823 -0.014 0.000 1.064 97 V HN 0.400 nan 8.190 nan 0.000 0.434 98 P HA 0.242 nan 4.420 nan 0.000 0.266 98 P C -0.726 176.537 177.300 -0.061 0.000 1.180 98 P CA 0.536 63.607 63.100 -0.048 0.000 0.765 98 P CB 0.493 32.167 31.700 -0.043 0.000 0.806 99 V N 1.205 121.051 119.914 -0.114 0.000 3.181 99 V HA 0.865 4.986 4.120 0.001 0.000 0.308 99 V C 0.329 176.193 176.094 -0.384 0.000 1.214 99 V CA 0.102 62.285 62.300 -0.195 0.000 1.053 99 V CB 1.662 33.368 31.823 -0.196 0.000 1.069 99 V HN 0.959 nan 8.190 nan 0.000 0.441 100 G N 1.164 109.578 108.800 -0.643 0.000 2.712 100 G HA2 -0.098 3.862 3.960 0.001 0.000 0.683 100 G HA3 -0.098 3.862 3.960 0.001 0.000 0.683 100 G C 0.183 174.893 174.900 -0.317 0.000 1.320 100 G CA 0.108 44.633 45.100 -0.959 0.000 0.847 100 G HN 0.790 nan 8.290 nan 0.000 0.553 101 E N 0.308 120.331 120.200 -0.296 0.000 2.267 101 E HA -0.153 4.198 4.350 0.001 0.000 0.197 101 E C 1.803 178.366 176.600 -0.062 0.000 0.998 101 E CA 1.623 57.943 56.400 -0.133 0.000 0.830 101 E CB -0.025 29.567 29.700 -0.181 0.000 0.751 101 E HN 0.778 nan 8.360 nan 0.000 0.491 102 E N 0.482 120.627 120.200 -0.092 0.000 2.510 102 E HA -0.070 4.281 4.350 0.001 0.000 0.202 102 E C 1.552 178.128 176.600 -0.040 0.000 1.072 102 E CA 0.396 56.759 56.400 -0.062 0.000 0.883 102 E CB -0.058 29.597 29.700 -0.075 0.000 0.818 102 E HN 0.261 nan 8.360 nan 0.000 0.548 103 L N -0.242 120.968 121.223 -0.022 0.000 2.609 103 L HA 0.166 4.506 4.340 0.001 0.000 0.230 103 L C 0.588 177.467 176.870 0.014 0.000 1.064 103 L CA -0.196 54.640 54.840 -0.006 0.000 0.873 103 L CB 0.321 42.378 42.059 -0.004 0.000 1.139 103 L HN 0.100 nan 8.230 nan 0.000 0.490 104 L N 0.571 121.820 121.223 0.045 0.000 2.536 104 L HA -0.069 4.271 4.340 0.001 0.000 0.294 104 L C 1.563 178.444 176.870 0.019 0.000 1.257 104 L CA 1.279 56.152 54.840 0.056 0.000 0.850 104 L CB -0.351 41.765 42.059 0.095 0.000 1.105 104 L HN 0.504 nan 8.230 nan 0.000 0.517 105 G N 1.342 110.141 108.800 -0.001 0.000 2.220 105 G HA2 -0.255 3.706 3.960 0.001 0.000 0.269 105 G HA3 -0.255 3.706 3.960 0.001 0.000 0.269 105 G C 0.684 175.564 174.900 -0.033 0.000 0.977 105 G CA 0.203 45.285 45.100 -0.030 0.000 0.634 105 G HN 0.546 nan 8.290 nan 0.000 0.539 106 R N -0.744 119.743 120.500 -0.022 0.000 2.523 106 R HA 0.776 5.116 4.340 0.001 0.000 0.229 106 R C -0.140 176.146 176.300 -0.023 0.000 1.265 106 R CA -0.528 55.559 56.100 -0.022 0.000 1.081 106 R CB 0.307 30.598 30.300 -0.016 0.000 1.540 106 R HN 0.402 nan 8.270 nan 0.000 0.560 107 V N 1.348 121.252 119.914 -0.017 0.000 2.610 107 V HA 0.209 4.329 4.120 0.001 0.000 0.288 107 V C -0.789 175.302 176.094 -0.004 0.000 1.055 107 V CA -0.775 61.519 62.300 -0.010 0.000 0.902 107 V CB 1.807 33.621 31.823 -0.015 0.000 1.030 107 V HN 0.572 nan 8.190 nan 0.000 0.448 108 V N 1.222 121.136 119.914 -0.000 0.000 2.769 108 V HA 0.826 4.947 4.120 0.001 0.000 0.312 108 V C -0.000 176.099 176.094 0.008 0.000 1.061 108 V CA -0.730 61.570 62.300 0.000 0.000 0.931 108 V CB 2.024 33.843 31.823 -0.006 0.000 1.010 108 V HN 0.800 nan 8.190 nan 0.000 0.433 109 D N 3.341 123.749 120.400 0.012 0.000 2.346 109 D HA 0.242 4.882 4.640 0.001 0.000 0.249 109 D C 1.266 177.580 176.300 0.023 0.000 1.308 109 D CA 0.292 54.305 54.000 0.022 0.000 0.987 109 D CB 1.072 41.890 40.800 0.030 0.000 1.114 109 D HN 0.883 nan 8.370 nan 0.000 0.529 110 A N -0.467 122.377 122.820 0.039 0.000 2.178 110 A HA -0.038 4.283 4.320 0.001 0.000 0.218 110 A C 2.144 179.753 177.584 0.042 0.000 1.157 110 A CA 0.742 52.805 52.037 0.044 0.000 0.689 110 A CB -0.618 18.426 19.000 0.074 0.000 0.787 110 A HN 0.554 nan 8.150 nan 0.000 0.465 111 L N -2.311 118.929 121.223 0.028 0.000 2.640 111 L HA 0.260 4.601 4.340 0.001 0.000 0.230 111 L C 1.667 178.526 176.870 -0.018 0.000 1.123 111 L CA 0.622 55.457 54.840 -0.008 0.000 0.900 111 L CB 0.268 42.304 42.059 -0.038 0.000 1.146 111 L HN 0.566 nan 8.230 nan 0.000 0.484 112 G N -0.258 108.536 108.800 -0.009 0.000 2.284 112 G HA2 -0.258 3.703 3.960 0.001 0.000 0.216 112 G HA3 -0.258 3.703 3.960 0.001 0.000 0.216 112 G C 0.169 175.061 174.900 -0.014 0.000 1.009 112 G CA -0.260 44.831 45.100 -0.015 0.000 0.625 112 G HN 0.398 nan 8.290 nan 0.000 0.501 113 N N 1.772 120.466 118.700 -0.011 0.000 2.353 113 N HA 0.462 5.203 4.740 0.001 0.000 0.248 113 N C 0.507 176.014 175.510 -0.005 0.000 1.240 113 N CA 0.961 54.006 53.050 -0.008 0.000 0.862 113 N CB 0.725 39.210 38.487 -0.003 0.000 1.086 113 N HN 0.973 nan 8.380 nan 0.000 0.453 114 A N 1.209 124.025 122.820 -0.007 0.000 2.340 114 A HA 0.545 4.865 4.320 0.001 0.000 0.268 114 A C 0.827 178.409 177.584 -0.003 0.000 1.100 114 A CA -0.491 51.542 52.037 -0.007 0.000 0.803 114 A CB -0.201 18.793 19.000 -0.010 0.000 1.043 114 A HN 0.846 nan 8.150 nan 0.000 0.488 115 I N -1.991 118.578 120.570 -0.003 0.000 4.453 115 I HA 0.259 4.429 4.170 0.001 0.000 0.342 115 I C 0.073 176.188 176.117 -0.004 0.000 1.341 115 I CA -0.117 61.183 61.300 -0.000 0.000 1.217 115 I CB 0.777 38.780 38.000 0.005 0.000 1.545 115 I HN 0.342 nan 8.210 nan 0.000 0.557 116 D N 1.219 121.615 120.400 -0.008 0.000 2.325 116 D HA 0.203 4.843 4.640 0.001 0.000 0.225 116 D C 1.302 177.596 176.300 -0.011 0.000 1.096 116 D CA 0.252 54.245 54.000 -0.012 0.000 0.844 116 D CB -0.171 40.618 40.800 -0.018 0.000 0.925 116 D HN 0.430 nan 8.370 nan 0.000 0.513 117 G N 1.240 110.035 108.800 -0.009 0.000 2.354 117 G HA2 -0.307 3.653 3.960 0.001 0.000 0.278 117 G HA3 -0.307 3.653 3.960 0.001 0.000 0.278 117 G C 0.308 175.202 174.900 -0.010 0.000 0.953 117 G CA 0.186 45.281 45.100 -0.008 0.000 1.346 117 G HN 0.439 nan 8.290 nan 0.000 0.467 118 K N -0.014 120.380 120.400 -0.010 0.000 2.637 118 K HA 0.425 4.745 4.320 0.001 0.000 0.184 118 K C 0.966 177.560 176.600 -0.011 0.000 1.200 118 K CA -0.094 56.187 56.287 -0.011 0.000 1.122 118 K CB 0.978 33.470 32.500 -0.013 0.000 0.926 118 K HN 1.932 nan 8.250 nan 0.000 0.535 119 G N 3.462 112.256 108.800 -0.009 0.000 2.892 119 G HA2 -0.187 3.773 3.960 0.001 0.000 0.686 119 G HA3 -0.187 3.773 3.960 0.001 0.000 0.686 119 G C -2.364 172.529 174.900 -0.011 0.000 1.244 119 G CA -1.112 43.982 45.100 -0.009 0.000 0.947 119 G HN -0.048 nan 8.290 nan 0.000 0.584 120 P HA 0.027 nan 4.420 nan 0.000 0.275 120 P C 1.089 178.379 177.300 -0.017 0.000 1.212 120 P CA 0.437 63.528 63.100 -0.014 0.000 0.793 120 P CB 0.220 31.911 31.700 -0.014 0.000 0.820 121 I N -2.195 118.362 120.570 -0.021 0.000 2.783 121 I HA 0.407 4.577 4.170 0.001 0.000 0.312 121 I C 0.963 177.063 176.117 -0.029 0.000 0.988 121 I CA -0.843 60.442 61.300 -0.025 0.000 1.182 121 I CB 0.514 38.496 38.000 -0.029 0.000 1.368 121 I HN 0.403 nan 8.210 nan 0.000 0.511 122 G N 2.343 111.123 108.800 -0.033 0.000 3.401 122 G HA2 0.131 4.091 3.960 0.001 0.000 0.251 122 G HA3 0.131 4.091 3.960 0.001 0.000 0.251 122 G C 0.562 175.434 174.900 -0.046 0.000 0.960 122 G CA -0.201 44.878 45.100 -0.036 0.000 1.900 122 G HN 0.792 nan 8.290 nan 0.000 0.645 123 S N -0.067 115.606 115.700 -0.046 0.000 4.120 123 S HA 0.174 4.645 4.470 0.001 0.000 0.215 123 S C 1.311 175.881 174.600 -0.050 0.000 1.347 123 S CA -0.512 57.654 58.200 -0.056 0.000 0.889 123 S CB 0.557 63.727 63.200 -0.049 0.000 1.585 123 S HN 0.488 nan 8.310 nan 0.000 0.447 124 K N 1.468 121.837 120.400 -0.052 0.000 2.057 124 K HA 0.067 4.387 4.320 0.001 0.000 0.206 124 K C 1.040 177.617 176.600 -0.039 0.000 1.050 124 K CA 1.025 57.289 56.287 -0.038 0.000 0.935 124 K CB -0.146 32.335 32.500 -0.031 0.000 0.715 124 K HN 0.699 nan 8.250 nan 0.000 0.439 125 A N 2.242 125.023 122.820 -0.064 0.000 2.354 125 A HA 0.208 4.529 4.320 0.001 0.000 0.281 125 A C -0.343 177.206 177.584 -0.058 0.000 1.174 125 A CA -0.199 51.801 52.037 -0.062 0.000 0.828 125 A CB 0.275 19.196 19.000 -0.132 0.000 1.099 125 A HN 0.136 nan 8.150 nan 0.000 0.516 126 R N 2.869 123.356 120.500 -0.023 0.000 2.487 126 R HA 0.228 4.568 4.340 0.001 0.000 0.288 126 R C -0.523 175.778 176.300 0.002 0.000 1.394 126 R CA -0.344 55.745 56.100 -0.018 0.000 1.155 126 R CB 1.460 31.748 30.300 -0.019 0.000 1.156 126 R HN 0.882 nan 8.270 nan 0.000 0.553 127 R N 1.432 121.939 120.500 0.012 0.000 2.500 127 R HA 0.294 4.634 4.340 0.001 0.000 0.277 127 R C -0.098 176.212 176.300 0.018 0.000 1.026 127 R CA -0.544 55.575 56.100 0.033 0.000 1.058 127 R CB 1.302 31.642 30.300 0.065 0.000 1.078 127 R HN 0.347 nan 8.270 nan 0.000 0.509 128 R N 2.370 122.880 120.500 0.017 0.000 2.441 128 R HA 0.061 4.402 4.340 0.001 0.000 0.284 128 R C 1.230 177.530 176.300 -0.001 0.000 1.070 128 R CA -0.219 55.883 56.100 0.003 0.000 1.047 128 R CB 1.025 31.325 30.300 -0.000 0.000 1.016 128 R HN 0.634 nan 8.270 nan 0.000 0.477 129 V N 2.282 122.192 119.914 -0.007 0.000 2.307 129 V HA 0.045 4.165 4.120 0.001 0.000 0.245 129 V C 1.435 177.480 176.094 -0.081 0.000 1.045 129 V CA 1.538 63.831 62.300 -0.012 0.000 1.024 129 V CB -1.020 30.816 31.823 0.020 0.000 0.651 129 V HN 0.850 nan 8.190 nan 0.000 0.449 130 G N 1.405 110.155 108.800 -0.083 0.000 3.325 130 G HA2 0.246 4.206 3.960 0.001 0.000 0.242 130 G HA3 0.246 4.206 3.960 0.001 0.000 0.242 130 G C 0.186 175.023 174.900 -0.105 0.000 1.120 130 G CA -0.184 44.838 45.100 -0.129 0.000 1.778 130 G HN 0.436 nan 8.290 nan 0.000 0.610 131 L N 0.255 121.417 121.223 -0.102 0.000 2.326 131 L HA 0.434 4.774 4.340 0.001 0.000 0.278 131 L C 0.520 177.341 176.870 -0.081 0.000 1.092 131 L CA -0.600 54.204 54.840 -0.061 0.000 0.810 131 L CB 1.283 43.326 42.059 -0.027 0.000 1.153 131 L HN 0.127 nan 8.230 nan 0.000 0.439 132 K N 2.668 123.039 120.400 -0.049 0.000 2.120 132 K HA 0.497 4.817 4.320 0.001 0.000 0.245 132 K C -0.242 176.339 176.600 -0.032 0.000 1.024 132 K CA -0.353 55.909 56.287 -0.041 0.000 0.906 132 K CB 1.191 33.684 32.500 -0.012 0.000 1.051 132 K HN 0.744 nan 8.250 nan 0.000 0.491 133 A N 2.574 125.376 122.820 -0.029 0.000 2.286 133 A HA 0.407 4.728 4.320 0.001 0.000 0.286 133 A C -2.300 175.265 177.584 -0.032 0.000 1.097 133 A CA -1.512 50.509 52.037 -0.028 0.000 0.821 133 A CB -0.102 18.882 19.000 -0.027 0.000 1.076 133 A HN 0.572 nan 8.150 nan 0.000 0.490 134 P HA 0.134 nan 4.420 nan 0.000 0.258 134 P C 0.815 178.067 177.300 -0.081 0.000 1.187 134 P CA 0.850 63.899 63.100 -0.086 0.000 0.767 134 P CB 0.247 31.881 31.700 -0.111 0.000 0.770 135 G N 3.037 111.790 108.800 -0.078 0.000 2.335 135 G HA2 -0.060 3.900 3.960 0.001 0.000 0.285 135 G HA3 -0.060 3.900 3.960 0.001 0.000 0.285 135 G C 1.181 176.035 174.900 -0.078 0.000 1.448 135 G CA -0.381 44.681 45.100 -0.062 0.000 1.070 135 G HN 0.404 nan 8.290 nan 0.000 0.564 136 I N 0.609 121.144 120.570 -0.059 0.000 2.333 136 I HA -0.056 4.115 4.170 0.001 0.000 0.246 136 I C 2.656 178.731 176.117 -0.070 0.000 1.106 136 I CA 0.845 62.114 61.300 -0.052 0.000 1.411 136 I CB -0.561 37.422 38.000 -0.028 0.000 1.082 136 I HN 0.357 nan 8.210 nan 0.000 0.420 137 I N 0.993 121.517 120.570 -0.077 0.000 2.233 137 I HA -0.042 4.128 4.170 0.001 0.000 0.243 137 I C -0.590 175.429 176.117 -0.162 0.000 1.093 137 I CA 1.181 62.441 61.300 -0.066 0.000 1.380 137 I CB -3.325 34.672 38.000 -0.005 0.000 1.067 137 I HN 0.098 nan 8.210 nan 0.000 0.413 138 P HA -0.063 nan 4.420 nan 0.000 0.247 138 P C 0.100 177.142 177.300 -0.431 0.000 1.215 138 P CA 1.131 63.703 63.100 -0.879 0.000 0.752 138 P CB -0.102 30.986 31.700 -1.020 0.000 0.927 139 R N -1.073 119.308 120.500 -0.198 0.000 2.922 139 R HA 0.794 5.135 4.340 0.001 0.000 0.256 139 R C -0.937 175.340 176.300 -0.040 0.000 1.138 139 R CA -1.089 54.949 56.100 -0.103 0.000 0.995 139 R CB 1.429 31.675 30.300 -0.090 0.000 1.226 139 R HN -0.176 nan 8.270 nan 0.000 0.481 140 I N -0.558 120.000 120.570 -0.021 0.000 2.787 140 I HA 0.176 4.347 4.170 0.001 0.000 0.294 140 I C -1.077 175.037 176.117 -0.006 0.000 1.365 140 I CA -0.046 61.252 61.300 -0.004 0.000 1.029 140 I CB 2.549 40.557 38.000 0.014 0.000 1.313 140 I HN 0.656 nan 8.210 nan 0.000 0.431 141 S N 4.363 120.061 115.700 -0.004 0.000 2.817 141 S HA 0.060 4.531 4.470 0.001 0.000 0.333 141 S C -0.009 174.587 174.600 -0.007 0.000 1.227 141 S CA -0.339 57.858 58.200 -0.005 0.000 1.027 141 S CB -0.185 63.014 63.200 -0.002 0.000 0.732 141 S HN 0.493 nan 8.310 nan 0.000 0.499 142 V N 5.227 125.134 119.914 -0.012 0.000 2.421 142 V HA 0.075 4.195 4.120 0.001 0.000 0.271 142 V C 1.567 177.652 176.094 -0.016 0.000 1.031 142 V CA 0.379 62.668 62.300 -0.018 0.000 1.032 142 V CB -0.358 31.452 31.823 -0.021 0.000 1.009 142 V HN 0.971 nan 8.190 nan 0.000 0.477 143 R N 3.118 123.607 120.500 -0.017 0.000 2.453 143 R HA 0.304 4.645 4.340 0.001 0.000 0.233 143 R C 0.079 176.367 176.300 -0.020 0.000 0.895 143 R CA -0.338 55.754 56.100 -0.013 0.000 1.028 143 R CB 0.693 30.990 30.300 -0.005 0.000 1.255 143 R HN 0.553 nan 8.270 nan 0.000 0.571 144 E N 3.722 123.901 120.200 -0.035 0.000 2.052 144 E HA 0.221 4.571 4.350 0.001 0.000 0.283 144 E C -2.347 174.217 176.600 -0.059 0.000 1.071 144 E CA -2.143 54.227 56.400 -0.050 0.000 0.851 144 E CB 1.367 31.018 29.700 -0.082 0.000 1.066 144 E HN 0.041 nan 8.360 nan 0.000 0.396 145 P HA -0.077 nan 4.420 nan 0.000 0.257 145 P C -0.240 177.044 177.300 -0.026 0.000 1.189 145 P CA 0.407 63.490 63.100 -0.028 0.000 0.780 145 P CB 0.158 31.843 31.700 -0.025 0.000 0.772 146 M N 4.945 124.539 119.600 -0.009 0.000 2.206 146 M HA 0.114 4.594 4.480 0.001 0.000 0.353 146 M C -0.305 176.035 176.300 0.065 0.000 1.242 146 M CA -0.259 55.053 55.300 0.019 0.000 1.179 146 M CB -0.105 32.493 32.600 -0.003 0.000 1.374 146 M HN 0.297 nan 8.290 nan 0.000 0.427 147 Q N 2.348 122.225 119.800 0.130 0.000 2.327 147 Q HA 0.202 4.542 4.340 0.001 0.000 0.254 147 Q C 1.083 177.149 176.000 0.110 0.000 0.952 147 Q CA 0.144 56.032 55.803 0.141 0.000 0.884 147 Q CB 0.746 29.621 28.738 0.230 0.000 1.224 147 Q HN 0.746 nan 8.270 nan 0.000 0.422 148 T N -2.262 112.337 114.554 0.075 0.000 3.015 148 T HA 0.206 4.557 4.350 0.001 0.000 0.250 148 T C 1.165 175.890 174.700 0.042 0.000 1.057 148 T CA 0.598 62.731 62.100 0.056 0.000 1.066 148 T CB 0.106 69.004 68.868 0.050 0.000 0.959 148 T HN 0.875 nan 8.240 nan 0.000 0.488 149 G N 1.705 110.532 108.800 0.044 0.000 2.155 149 G HA2 -0.195 3.766 3.960 0.001 0.000 0.257 149 G HA3 -0.195 3.766 3.960 0.001 0.000 0.257 149 G C 0.010 174.929 174.900 0.032 0.000 0.983 149 G CA 0.311 45.429 45.100 0.030 0.000 0.676 149 G HN 0.689 nan 8.290 nan 0.000 0.528 150 I N 0.387 120.978 120.570 0.035 0.000 2.330 150 I HA 0.243 4.413 4.170 0.001 0.000 0.286 150 I C 1.574 177.708 176.117 0.029 0.000 1.025 150 I CA -0.841 60.476 61.300 0.029 0.000 1.197 150 I CB 1.277 39.294 38.000 0.027 0.000 1.358 150 I HN -0.019 nan 8.210 nan 0.000 0.467 151 K N 4.171 124.587 120.400 0.027 0.000 2.049 151 K HA -0.303 4.017 4.320 0.001 0.000 0.219 151 K C 2.160 178.775 176.600 0.025 0.000 1.056 151 K CA 2.337 58.642 56.287 0.029 0.000 0.946 151 K CB -0.237 32.279 32.500 0.027 0.000 0.723 151 K HN 0.814 nan 8.250 nan 0.000 0.453 152 A N 0.786 123.617 122.820 0.017 0.000 1.881 152 A HA -0.245 4.075 4.320 0.001 0.000 0.219 152 A C 2.420 180.018 177.584 0.024 0.000 1.215 152 A CA 2.505 54.553 52.037 0.017 0.000 0.648 152 A CB -1.052 17.955 19.000 0.011 0.000 0.832 152 A HN 0.146 nan 8.150 nan 0.000 0.455 153 V N 0.114 120.043 119.914 0.025 0.000 2.323 153 V HA -0.172 3.948 4.120 0.001 0.000 0.244 153 V C 2.006 178.118 176.094 0.029 0.000 1.041 153 V CA 2.095 64.411 62.300 0.027 0.000 1.025 153 V CB -0.803 31.037 31.823 0.028 0.000 0.656 153 V HN 0.492 nan 8.190 nan 0.000 0.451 154 D N 0.196 120.616 120.400 0.034 0.000 2.348 154 D HA -0.066 4.574 4.640 0.001 0.000 0.216 154 D C 2.267 178.589 176.300 0.035 0.000 0.970 154 D CA 1.497 55.520 54.000 0.038 0.000 0.889 154 D CB 0.204 41.033 40.800 0.047 0.000 0.912 154 D HN 0.635 nan 8.370 nan 0.000 0.524 155 S N -0.788 114.931 115.700 0.032 0.000 2.510 155 S HA 0.097 4.567 4.470 0.001 0.000 0.230 155 S C 1.978 176.593 174.600 0.026 0.000 1.066 155 S CA -0.128 58.090 58.200 0.030 0.000 0.941 155 S CB -0.140 63.078 63.200 0.029 0.000 0.829 155 S HN 0.129 nan 8.310 nan 0.000 0.530 156 L N 1.547 122.785 121.223 0.025 0.000 2.408 156 L HA 0.361 4.702 4.340 0.001 0.000 0.215 156 L C -0.133 176.753 176.870 0.027 0.000 1.081 156 L CA 0.069 54.924 54.840 0.026 0.000 0.840 156 L CB 0.527 42.603 42.059 0.028 0.000 1.002 156 L HN 0.277 nan 8.230 nan 0.000 0.468 157 V N -2.141 117.788 119.914 0.025 0.000 2.467 157 V HA 0.393 4.514 4.120 0.001 0.000 0.260 157 V C -2.869 173.236 176.094 0.017 0.000 0.963 157 V CA -1.707 60.605 62.300 0.020 0.000 0.856 157 V CB 0.216 32.050 31.823 0.019 0.000 1.087 157 V HN -0.088 nan 8.190 nan 0.000 0.467 158 P HA 0.487 nan 4.420 nan 0.000 0.281 158 P C -0.083 177.224 177.300 0.012 0.000 1.252 158 P CA 0.072 63.184 63.100 0.018 0.000 0.778 158 P CB 1.118 32.829 31.700 0.019 0.000 0.895 159 I N 1.560 122.138 120.570 0.014 0.000 2.797 159 I HA 0.699 4.870 4.170 0.001 0.000 0.310 159 I C 1.055 177.172 176.117 0.001 0.000 0.990 159 I CA -0.426 60.878 61.300 0.007 0.000 1.228 159 I CB 1.340 39.347 38.000 0.011 0.000 1.406 159 I HN 0.343 nan 8.210 nan 0.000 0.534 160 G N 1.855 110.649 108.800 -0.012 0.000 2.659 160 G HA2 0.482 4.442 3.960 0.001 0.000 0.296 160 G HA3 0.482 4.442 3.960 0.001 0.000 0.296 160 G C -1.056 173.814 174.900 -0.050 0.000 1.369 160 G CA -0.993 44.090 45.100 -0.028 0.000 0.937 160 G HN 0.522 nan 8.290 nan 0.000 0.485 161 R N 0.456 120.900 120.500 -0.093 0.000 2.446 161 R HA 0.384 4.724 4.340 0.001 0.000 0.325 161 R C 1.195 177.431 176.300 -0.106 0.000 0.997 161 R CA 1.049 57.059 56.100 -0.149 0.000 1.010 161 R CB 0.353 30.449 30.300 -0.340 0.000 0.946 161 R HN 1.311 nan 8.270 nan 0.000 0.422 162 G N 1.902 110.662 108.800 -0.065 0.000 2.255 162 G HA2 -0.251 3.709 3.960 0.001 0.000 0.196 162 G HA3 -0.251 3.709 3.960 0.001 0.000 0.196 162 G C 0.121 175.009 174.900 -0.019 0.000 0.998 162 G CA -0.369 44.710 45.100 -0.036 0.000 0.656 162 G HN 0.570 nan 8.290 nan 0.000 0.490 163 Q N 0.349 120.137 119.800 -0.020 0.000 2.306 163 Q HA 0.639 4.979 4.340 0.001 0.000 0.241 163 Q C -0.200 175.798 176.000 -0.004 0.000 0.948 163 Q CA -0.442 55.354 55.803 -0.012 0.000 0.886 163 Q CB 0.411 29.141 28.738 -0.013 0.000 1.227 163 Q HN 0.264 nan 8.270 nan 0.000 0.457 164 R N 2.436 122.931 120.500 -0.009 0.000 2.239 164 R HA 0.268 4.608 4.340 0.001 0.000 0.332 164 R C -1.310 174.977 176.300 -0.023 0.000 0.988 164 R CA -0.492 55.601 56.100 -0.012 0.000 0.859 164 R CB 1.268 31.551 30.300 -0.027 0.000 1.148 164 R HN 0.439 nan 8.270 nan 0.000 0.482 165 E N 2.863 123.051 120.200 -0.019 0.000 2.155 165 E HA 0.266 4.616 4.350 0.001 0.000 0.264 165 E C -1.301 175.271 176.600 -0.047 0.000 0.886 165 E CA -0.945 55.436 56.400 -0.033 0.000 0.752 165 E CB 0.862 30.550 29.700 -0.019 0.000 1.133 165 E HN 0.396 nan 8.360 nan 0.000 0.414 166 L N 5.766 126.939 121.223 -0.084 0.000 2.331 166 L HA 0.448 4.788 4.340 0.001 0.000 0.278 166 L C -0.952 175.843 176.870 -0.125 0.000 1.106 166 L CA 0.118 54.891 54.840 -0.111 0.000 0.824 166 L CB 0.457 42.426 42.059 -0.150 0.000 1.142 166 L HN 0.641 nan 8.230 nan 0.000 0.443 167 I N 7.059 127.578 120.570 -0.086 0.000 2.304 167 I HA 0.365 4.535 4.170 0.001 0.000 0.291 167 I C -0.184 175.884 176.117 -0.081 0.000 1.018 167 I CA -0.102 61.155 61.300 -0.071 0.000 1.260 167 I CB 1.047 39.039 38.000 -0.013 0.000 1.390 167 I HN 0.618 nan 8.210 nan 0.000 0.475 168 I N 5.321 125.819 120.570 -0.119 0.000 2.608 168 I HA 0.894 5.064 4.170 0.001 0.000 0.295 168 I C -0.263 175.897 176.117 0.071 0.000 1.049 168 I CA -0.061 61.200 61.300 -0.065 0.000 1.063 168 I CB 2.041 39.940 38.000 -0.169 0.000 1.248 168 I HN 0.682 nan 8.210 nan 0.000 0.424 169 G N 4.904 113.774 108.800 0.116 0.000 2.340 169 G HA2 0.136 4.096 3.960 0.001 0.000 0.298 169 G HA3 0.136 4.096 3.960 0.001 0.000 0.298 169 G C -1.876 173.087 174.900 0.104 0.000 1.498 169 G CA -0.830 44.360 45.100 0.150 0.000 0.847 169 G HN 0.505 nan 8.290 nan 0.000 0.594 170 D N 0.517 120.975 120.400 0.096 0.000 2.390 170 D HA 0.195 4.836 4.640 0.001 0.000 0.236 170 D C 1.458 177.788 176.300 0.051 0.000 1.189 170 D CA 0.173 54.214 54.000 0.068 0.000 0.887 170 D CB 0.601 41.437 40.800 0.059 0.000 1.198 170 D HN 0.651 nan 8.370 nan 0.000 0.444 171 R N 1.057 121.580 120.500 0.039 0.000 2.811 171 R HA -0.018 4.322 4.340 0.001 0.000 0.265 171 R C -0.027 176.273 176.300 -0.000 0.000 1.026 171 R CA -0.311 55.805 56.100 0.026 0.000 1.142 171 R CB 0.125 30.440 30.300 0.026 0.000 1.027 171 R HN 0.290 nan 8.270 nan 0.000 0.465 172 Q N -0.173 119.619 119.800 -0.012 0.000 2.423 172 Q HA -0.181 4.159 4.340 0.001 0.000 0.332 172 Q C 0.183 176.094 176.000 -0.148 0.000 1.355 172 Q CA 1.630 57.392 55.803 -0.069 0.000 0.947 172 Q CB -1.479 27.203 28.738 -0.093 0.000 1.189 172 Q HN 0.976 nan 8.270 nan 0.000 0.418 173 T N -5.562 108.971 114.554 -0.036 0.000 2.971 173 T HA 0.426 4.777 4.350 0.001 0.000 0.252 173 T C 1.196 176.007 174.700 0.185 0.000 1.022 173 T CA 0.606 62.727 62.100 0.036 0.000 0.980 173 T CB 1.157 70.073 68.868 0.081 0.000 1.044 173 T HN 0.711 nan 8.240 nan 0.000 0.501 174 G N 1.674 110.550 108.800 0.127 0.000 2.151 174 G HA2 -0.178 3.782 3.960 0.001 0.000 0.140 174 G HA3 -0.178 3.782 3.960 0.001 0.000 0.140 174 G C 0.709 175.667 174.900 0.097 0.000 1.020 174 G CA 0.092 45.274 45.100 0.136 0.000 0.688 174 G HN 0.404 nan 8.290 nan 0.000 0.500 175 K N -0.362 120.090 120.400 0.086 0.000 2.152 175 K HA -0.055 4.266 4.320 0.001 0.000 0.206 175 K C 2.352 179.006 176.600 0.090 0.000 1.048 175 K CA 1.743 58.076 56.287 0.076 0.000 0.933 175 K CB -0.075 32.464 32.500 0.064 0.000 0.721 175 K HN 0.341 nan 8.250 nan 0.000 0.447 176 T N -0.355 114.264 114.554 0.108 0.000 2.983 176 T HA -0.031 4.319 4.350 0.001 0.000 0.250 176 T C 1.700 176.492 174.700 0.153 0.000 1.037 176 T CA 0.586 62.773 62.100 0.145 0.000 1.142 176 T CB 0.041 69.006 68.868 0.162 0.000 0.876 176 T HN 0.059 nan 8.240 nan 0.000 0.455 177 S N 0.858 116.638 115.700 0.134 0.000 2.571 177 S HA -0.006 4.465 4.470 0.001 0.000 0.245 177 S C 1.613 176.279 174.600 0.111 0.000 0.976 177 S CA 0.243 58.525 58.200 0.137 0.000 0.954 177 S CB -0.511 62.703 63.200 0.024 0.000 0.756 177 S HN 0.249 nan 8.310 nan 0.000 0.535 178 I N 1.072 121.703 120.570 0.102 0.000 2.368 178 I HA 0.073 4.244 4.170 0.001 0.000 0.238 178 I C 2.747 178.928 176.117 0.107 0.000 1.076 178 I CA 1.161 62.513 61.300 0.086 0.000 1.397 178 I CB -1.831 36.210 38.000 0.069 0.000 1.141 178 I HN 0.291 nan 8.210 nan 0.000 0.430 179 A N 0.660 123.556 122.820 0.126 0.000 1.972 179 A HA -0.181 4.140 4.320 0.001 0.000 0.219 179 A C 2.244 179.920 177.584 0.153 0.000 1.169 179 A CA 1.516 53.641 52.037 0.148 0.000 0.635 179 A CB -0.657 18.457 19.000 0.191 0.000 0.810 179 A HN 0.309 nan 8.150 nan 0.000 0.446 180 I N 0.213 120.874 120.570 0.151 0.000 2.193 180 I HA -0.143 4.028 4.170 0.001 0.000 0.240 180 I C 1.642 177.826 176.117 0.112 0.000 1.084 180 I CA 1.535 62.895 61.300 0.100 0.000 1.365 180 I CB -0.538 37.524 38.000 0.102 0.000 1.064 180 I HN 0.201 nan 8.210 nan 0.000 0.410 181 D N -0.509 119.993 120.400 0.170 0.000 2.271 181 D HA -0.176 4.465 4.640 0.001 0.000 0.207 181 D C 2.190 178.545 176.300 0.091 0.000 0.983 181 D CA 1.238 55.330 54.000 0.152 0.000 0.878 181 D CB -0.076 40.806 40.800 0.138 0.000 0.920 181 D HN 0.253 nan 8.370 nan 0.000 0.479 182 T N -0.529 114.078 114.554 0.088 0.000 2.852 182 T HA 0.060 4.410 4.350 0.001 0.000 0.256 182 T C 2.021 176.767 174.700 0.077 0.000 1.038 182 T CA 0.254 62.397 62.100 0.073 0.000 1.141 182 T CB 0.055 68.970 68.868 0.078 0.000 0.869 182 T HN 0.097 nan 8.240 nan 0.000 0.439 183 I N 1.013 121.645 120.570 0.103 0.000 2.163 183 I HA -0.135 4.036 4.170 0.001 0.000 0.243 183 I C 2.136 178.362 176.117 0.182 0.000 1.085 183 I CA 1.399 62.795 61.300 0.160 0.000 1.347 183 I CB -0.495 37.587 38.000 0.137 0.000 1.044 183 I HN 0.210 nan 8.210 nan 0.000 0.408 184 I N 1.279 121.903 120.570 0.090 0.000 2.800 184 I HA -0.278 3.892 4.170 0.001 0.000 0.266 184 I C 2.069 178.211 176.117 0.041 0.000 1.249 184 I CA 1.200 62.536 61.300 0.061 0.000 1.458 184 I CB -0.589 37.414 38.000 0.004 0.000 1.093 184 I HN 0.369 nan 8.210 nan 0.000 0.466 185 N N 0.486 119.191 118.700 0.008 0.000 2.376 185 N HA -0.132 4.609 4.740 0.001 0.000 0.177 185 N C 1.700 177.060 175.510 -0.251 0.000 1.024 185 N CA 0.759 53.750 53.050 -0.099 0.000 0.893 185 N CB 0.172 38.613 38.487 -0.077 0.000 0.980 185 N HN 0.151 nan 8.380 nan 0.000 0.439 186 Q N 0.456 120.153 119.800 -0.171 0.000 2.515 186 Q HA -0.043 4.297 4.340 0.001 0.000 0.212 186 Q C 1.363 177.076 176.000 -0.478 0.000 0.970 186 Q CA 0.317 55.908 55.803 -0.353 0.000 0.941 186 Q CB 0.006 28.576 28.738 -0.280 0.000 0.998 186 Q HN 0.492 nan 8.270 nan 0.000 0.518 187 K N 1.541 121.837 120.400 -0.174 0.000 1.971 187 K HA -0.231 4.089 4.320 0.001 0.000 0.221 187 K C 1.983 178.480 176.600 -0.172 0.000 1.050 187 K CA 1.589 57.855 56.287 -0.036 0.000 0.967 187 K CB -0.114 32.423 32.500 0.062 0.000 0.733 187 K HN 0.033 nan 8.250 nan 0.000 0.445 188 R N -0.355 120.004 120.500 -0.235 0.000 2.270 188 R HA -0.248 4.092 4.340 0.001 0.000 0.260 188 R C 2.192 178.433 176.300 -0.099 0.000 1.127 188 R CA 2.679 58.635 56.100 -0.241 0.000 0.969 188 R CB -0.547 29.490 30.300 -0.439 0.000 0.918 188 R HN 0.361 nan 8.270 nan 0.000 0.455 189 F N -0.932 118.958 119.950 -0.100 0.000 2.387 189 F HA 0.040 4.568 4.527 0.001 0.000 0.294 189 F C 1.948 177.661 175.800 -0.144 0.000 1.093 189 F CA -0.206 57.726 58.000 -0.113 0.000 1.420 189 F CB -0.063 38.862 39.000 -0.125 0.000 1.086 189 F HN 0.068 nan 8.300 nan 0.000 0.531 190 N N -0.453 118.205 118.700 -0.070 0.000 2.463 190 N HA -0.050 4.691 4.740 0.001 0.000 0.181 190 N C -0.291 175.221 175.510 0.003 0.000 1.078 190 N CA 0.757 53.738 53.050 -0.116 0.000 0.902 190 N CB -0.207 38.068 38.487 -0.353 0.000 0.970 190 N HN 0.147 nan 8.380 nan 0.000 0.451 191 D N 0.224 120.635 120.400 0.018 0.000 2.930 191 D HA 0.441 5.081 4.640 0.001 0.000 0.304 191 D C 0.528 176.854 176.300 0.042 0.000 1.298 191 D CA -0.047 53.980 54.000 0.046 0.000 0.949 191 D CB 0.419 41.249 40.800 0.050 0.000 1.013 191 D HN 0.162 nan 8.370 nan 0.000 0.510 192 G N -1.123 107.703 108.800 0.044 0.000 2.753 192 G HA2 0.328 4.288 3.960 0.001 0.000 0.303 192 G HA3 0.328 4.288 3.960 0.001 0.000 0.303 192 G C 0.585 175.503 174.900 0.030 0.000 1.242 192 G CA -0.249 44.877 45.100 0.042 0.000 0.810 192 G HN 0.071 nan 8.290 nan 0.000 0.515 193 T N -1.451 113.115 114.554 0.021 0.000 3.071 193 T HA 0.199 4.549 4.350 0.001 0.000 0.239 193 T C 0.603 175.299 174.700 -0.007 0.000 0.997 193 T CA 0.477 62.581 62.100 0.008 0.000 1.134 193 T CB -0.128 68.743 68.868 0.005 0.000 0.928 193 T HN 0.371 nan 8.240 nan 0.000 0.453 194 D N 2.351 122.741 120.400 -0.017 0.000 2.479 194 D HA 0.004 4.645 4.640 0.001 0.000 0.257 194 D C 0.738 177.002 176.300 -0.061 0.000 1.230 194 D CA 0.254 54.228 54.000 -0.044 0.000 0.912 194 D CB 1.056 41.818 40.800 -0.063 0.000 1.130 194 D HN 0.283 nan 8.370 nan 0.000 0.515 195 E N 3.162 123.324 120.200 -0.063 0.000 2.481 195 E HA -0.018 4.332 4.350 0.001 0.000 0.195 195 E C 1.205 177.725 176.600 -0.133 0.000 1.047 195 E CA 0.700 57.054 56.400 -0.077 0.000 0.867 195 E CB 0.299 29.966 29.700 -0.055 0.000 0.858 195 E HN 0.403 nan 8.360 nan 0.000 0.513 196 K N -0.162 120.159 120.400 -0.131 0.000 2.099 196 K HA 0.100 4.420 4.320 0.001 0.000 0.203 196 K C 1.559 178.090 176.600 -0.116 0.000 1.047 196 K CA 0.566 56.759 56.287 -0.157 0.000 0.963 196 K CB 0.141 32.588 32.500 -0.088 0.000 0.759 196 K HN -0.072 nan 8.250 nan 0.000 0.451 197 K N 1.398 121.699 120.400 -0.164 0.000 2.585 197 K HA -0.045 4.276 4.320 0.001 0.000 0.194 197 K C 0.132 176.633 176.600 -0.164 0.000 1.037 197 K CA 0.667 56.776 56.287 -0.298 0.000 0.964 197 K CB 0.050 32.224 32.500 -0.543 0.000 0.787 197 K HN 0.057 nan 8.250 nan 0.000 0.488 198 K N 1.360 121.691 120.400 -0.115 0.000 2.249 198 K HA 0.177 4.498 4.320 0.001 0.000 0.280 198 K C -0.769 175.711 176.600 -0.199 0.000 1.033 198 K CA -0.454 55.732 56.287 -0.169 0.000 0.946 198 K CB 0.920 33.257 32.500 -0.273 0.000 1.005 198 K HN -0.134 nan 8.250 nan 0.000 0.469 199 L N 4.739 125.806 121.223 -0.260 0.000 2.457 199 L HA 0.294 4.634 4.340 0.001 0.000 0.266 199 L C -1.592 175.164 176.870 -0.190 0.000 0.979 199 L CA -0.418 54.332 54.840 -0.151 0.000 0.857 199 L CB 0.668 42.733 42.059 0.010 0.000 1.213 199 L HN 0.466 nan 8.230 nan 0.000 0.418 200 Y N 3.098 123.492 120.300 0.157 0.000 2.309 200 Y HA 0.446 4.996 4.550 0.001 0.000 0.327 200 Y C 0.468 176.387 175.900 0.032 0.000 1.172 200 Y CA -0.325 57.868 58.100 0.156 0.000 1.280 200 Y CB 0.930 39.563 38.460 0.289 0.000 1.234 200 Y HN 0.496 nan 8.280 nan 0.000 0.512 201 C N 5.188 124.630 119.300 0.237 0.000 2.345 201 C HA 0.581 5.041 4.460 0.001 0.000 0.323 201 C C 0.113 175.117 174.990 0.023 0.000 1.276 201 C CA -1.213 57.879 59.018 0.122 0.000 1.543 201 C CB -0.769 27.094 27.740 0.205 0.000 2.211 201 C HN 0.622 nan 8.230 nan 0.000 0.493 202 I N 2.224 122.764 120.570 -0.050 0.000 2.566 202 I HA 0.363 4.534 4.170 0.001 0.000 0.303 202 I C -0.662 175.457 176.117 0.004 0.000 0.983 202 I CA -0.577 60.684 61.300 -0.065 0.000 1.235 202 I CB 1.110 39.017 38.000 -0.155 0.000 1.386 202 I HN 0.680 nan 8.210 nan 0.000 0.494 203 Y N 5.058 125.284 120.300 -0.122 0.000 2.475 203 Y HA 0.432 4.982 4.550 0.001 0.000 0.343 203 Y C -0.792 175.038 175.900 -0.116 0.000 1.068 203 Y CA -0.765 57.270 58.100 -0.109 0.000 1.307 203 Y CB 0.836 39.258 38.460 -0.062 0.000 1.097 203 Y HN 0.285 nan 8.280 nan 0.000 0.530 204 V N 3.776 123.450 119.914 -0.399 0.000 2.843 204 V HA 0.532 4.652 4.120 0.001 0.000 0.305 204 V C 0.427 176.275 176.094 -0.411 0.000 1.065 204 V CA 0.212 62.326 62.300 -0.309 0.000 1.116 204 V CB 0.967 32.600 31.823 -0.315 0.000 0.968 204 V HN 0.842 nan 8.190 nan 0.000 0.487 205 A N 5.616 128.354 122.820 -0.136 0.000 2.586 205 A HA 0.765 5.085 4.320 0.001 0.000 0.320 205 A C -0.782 176.796 177.584 -0.009 0.000 1.281 205 A CA -0.429 51.582 52.037 -0.043 0.000 0.775 205 A CB -0.007 19.100 19.000 0.178 0.000 1.122 205 A HN 0.654 nan 8.150 nan 0.000 0.470 206 I N 1.194 121.749 120.570 -0.024 0.000 2.385 206 I HA 0.627 4.798 4.170 0.001 0.000 0.294 206 I C 1.421 177.552 176.117 0.024 0.000 0.988 206 I CA 0.853 62.156 61.300 0.006 0.000 1.265 206 I CB 1.290 39.297 38.000 0.011 0.000 1.388 206 I HN 0.913 nan 8.210 nan 0.000 0.480 207 G N 3.394 112.212 108.800 0.030 0.000 2.328 207 G HA2 -0.264 3.696 3.960 0.001 0.000 0.256 207 G HA3 -0.264 3.696 3.960 0.001 0.000 0.256 207 G C 0.481 175.404 174.900 0.037 0.000 1.014 207 G CA 0.200 45.320 45.100 0.034 0.000 0.620 207 G HN 0.662 nan 8.290 nan 0.000 0.530 208 Q N 0.536 120.363 119.800 0.044 0.000 2.697 208 Q HA 0.424 4.764 4.340 0.001 0.000 0.196 208 Q C 0.615 176.641 176.000 0.042 0.000 1.121 208 Q CA 0.548 56.381 55.803 0.050 0.000 1.151 208 Q CB 0.219 29.000 28.738 0.071 0.000 1.250 208 Q HN 0.688 nan 8.270 nan 0.000 0.658 209 K N -0.319 120.105 120.400 0.041 0.000 2.130 209 K HA 0.311 4.632 4.320 0.001 0.000 0.268 209 K C 0.438 177.057 176.600 0.032 0.000 0.983 209 K CA -0.743 55.563 56.287 0.032 0.000 0.893 209 K CB 1.540 34.056 32.500 0.027 0.000 1.066 209 K HN 0.365 nan 8.250 nan 0.000 0.450 210 R N 1.142 121.658 120.500 0.026 0.000 2.103 210 R HA -0.155 4.185 4.340 0.001 0.000 0.242 210 R C 1.753 178.063 176.300 0.017 0.000 1.142 210 R CA 2.037 58.150 56.100 0.022 0.000 0.960 210 R CB -0.712 29.598 30.300 0.017 0.000 0.858 210 R HN 0.760 nan 8.270 nan 0.000 0.439 211 S N 0.117 115.827 115.700 0.016 0.000 2.444 211 S HA -0.170 4.300 4.470 0.001 0.000 0.244 211 S C 1.696 176.305 174.600 0.014 0.000 1.025 211 S CA 1.992 60.200 58.200 0.013 0.000 0.995 211 S CB -0.250 62.959 63.200 0.015 0.000 0.781 211 S HN 0.481 nan 8.310 nan 0.000 0.496 212 T N 1.052 115.619 114.554 0.022 0.000 3.053 212 T HA 0.112 4.463 4.350 0.001 0.000 0.236 212 T C 2.002 176.713 174.700 0.019 0.000 0.996 212 T CA 0.585 62.701 62.100 0.026 0.000 1.185 212 T CB -0.633 68.261 68.868 0.044 0.000 0.892 212 T HN 0.200 nan 8.240 nan 0.000 0.432 213 V N 2.805 122.739 119.914 0.034 0.000 2.257 213 V HA -0.320 3.801 4.120 0.001 0.000 0.257 213 V C 2.954 179.036 176.094 -0.020 0.000 1.077 213 V CA 2.237 64.554 62.300 0.029 0.000 1.063 213 V CB -1.595 30.255 31.823 0.045 0.000 0.664 213 V HN 0.597 nan 8.190 nan 0.000 0.450 214 A N -0.256 122.556 122.820 -0.014 0.000 1.834 214 A HA -0.336 3.984 4.320 0.001 0.000 0.216 214 A C 2.211 179.770 177.584 -0.043 0.000 1.203 214 A CA 2.388 54.408 52.037 -0.028 0.000 0.621 214 A CB -0.850 18.141 19.000 -0.015 0.000 0.841 214 A HN 0.574 nan 8.150 nan 0.000 0.446 215 Q N -0.684 119.099 119.800 -0.028 0.000 2.344 215 Q HA -0.170 4.171 4.340 0.001 0.000 0.212 215 Q C 1.638 177.604 176.000 -0.057 0.000 0.991 215 Q CA 1.692 57.477 55.803 -0.029 0.000 0.897 215 Q CB -0.335 28.400 28.738 -0.005 0.000 0.915 215 Q HN 0.608 nan 8.270 nan 0.000 0.438 216 L N -1.286 119.890 121.223 -0.078 0.000 2.168 216 L HA 0.007 4.347 4.340 0.001 0.000 0.203 216 L C 1.937 178.693 176.870 -0.189 0.000 1.078 216 L CA 0.914 55.672 54.840 -0.136 0.000 0.780 216 L CB -0.729 41.235 42.059 -0.158 0.000 0.939 216 L HN 0.189 nan 8.230 nan 0.000 0.451 217 V N 1.163 120.980 119.914 -0.161 0.000 2.295 217 V HA -0.301 3.820 4.120 0.001 0.000 0.246 217 V C 2.648 178.658 176.094 -0.140 0.000 1.049 217 V CA 2.122 64.328 62.300 -0.157 0.000 1.024 217 V CB -0.622 31.134 31.823 -0.111 0.000 0.648 217 V HN 0.429 nan 8.190 nan 0.000 0.447 218 K N 1.011 121.346 120.400 -0.109 0.000 2.089 218 K HA -0.277 4.043 4.320 0.001 0.000 0.210 218 K C 2.123 178.645 176.600 -0.129 0.000 1.048 218 K CA 2.184 58.412 56.287 -0.097 0.000 0.926 218 K CB -0.434 32.025 32.500 -0.069 0.000 0.714 218 K HN 0.329 nan 8.250 nan 0.000 0.448 219 R N 0.736 121.138 120.500 -0.163 0.000 2.066 219 R HA 0.016 4.356 4.340 0.001 0.000 0.232 219 R C 2.119 178.262 176.300 -0.262 0.000 1.131 219 R CA 1.777 57.732 56.100 -0.241 0.000 0.955 219 R CB -0.885 29.227 30.300 -0.315 0.000 0.851 219 R HN 0.369 nan 8.270 nan 0.000 0.432 220 L N -0.035 121.041 121.223 -0.245 0.000 1.943 220 L HA -0.232 4.108 4.340 0.001 0.000 0.215 220 L C 2.297 179.049 176.870 -0.196 0.000 1.074 220 L CA 2.291 56.991 54.840 -0.233 0.000 0.759 220 L CB -1.077 40.837 42.059 -0.242 0.000 0.888 220 L HN 0.302 nan 8.230 nan 0.000 0.433 221 T N -0.332 114.121 114.554 -0.168 0.000 2.564 221 T HA -0.298 4.052 4.350 0.001 0.000 0.264 221 T C 1.410 176.043 174.700 -0.113 0.000 1.100 221 T CA 2.108 64.129 62.100 -0.131 0.000 1.171 221 T CB -0.472 68.335 68.868 -0.103 0.000 0.863 221 T HN 0.383 nan 8.240 nan 0.000 0.430 222 D N 1.198 121.532 120.400 -0.109 0.000 2.205 222 D HA -0.139 4.501 4.640 0.001 0.000 0.190 222 D C 2.216 178.464 176.300 -0.087 0.000 1.002 222 D CA 1.695 55.642 54.000 -0.089 0.000 0.848 222 D CB -0.810 39.934 40.800 -0.093 0.000 0.975 222 D HN 0.488 nan 8.370 nan 0.000 0.449 223 A N 0.150 122.902 122.820 -0.113 0.000 2.225 223 A HA -0.125 4.195 4.320 0.001 0.000 0.215 223 A C 0.219 177.760 177.584 -0.071 0.000 1.164 223 A CA 1.146 53.129 52.037 -0.090 0.000 0.710 223 A CB -0.319 18.611 19.000 -0.117 0.000 0.780 223 A HN 0.299 nan 8.150 nan 0.000 0.473 224 D N -3.462 116.883 120.400 -0.092 0.000 3.515 224 D HA -0.094 4.546 4.640 0.001 0.000 0.247 224 D C 0.265 176.492 176.300 -0.121 0.000 1.084 224 D CA 1.073 55.020 54.000 -0.087 0.000 1.030 224 D CB -1.213 39.565 40.800 -0.036 0.000 0.946 224 D HN 0.687 nan 8.370 nan 0.000 0.420 225 A N 3.021 125.677 122.820 -0.273 0.000 2.533 225 A HA 0.114 4.434 4.320 0.001 0.000 0.180 225 A C 1.818 178.903 177.584 -0.832 0.000 1.566 225 A CA 0.483 52.141 52.037 -0.633 0.000 1.153 225 A CB -0.053 18.743 19.000 -0.341 0.000 1.462 225 A HN 0.325 nan 8.150 nan 0.000 0.523 226 M N 1.652 121.002 119.600 -0.418 0.000 2.267 226 M HA -0.165 4.315 4.480 0.001 0.000 0.263 226 M C 1.991 178.128 176.300 -0.272 0.000 1.063 226 M CA 2.054 57.173 55.300 -0.302 0.000 1.090 226 M CB -0.857 31.630 32.600 -0.188 0.000 1.392 226 M HN 0.672 nan 8.290 nan 0.000 0.422 227 K N 0.101 120.341 120.400 -0.267 0.000 2.063 227 K HA -0.192 4.128 4.320 0.001 0.000 0.208 227 K C 1.085 177.689 176.600 0.007 0.000 1.048 227 K CA 1.933 58.161 56.287 -0.097 0.000 0.928 227 K CB -1.137 31.359 32.500 -0.008 0.000 0.713 227 K HN 0.483 nan 8.250 nan 0.000 0.442 228 Y N 0.737 121.101 120.300 0.107 0.000 2.596 228 Y HA 0.431 4.982 4.550 0.001 0.000 0.316 228 Y C -0.685 175.313 175.900 0.164 0.000 1.156 228 Y CA -0.825 57.398 58.100 0.204 0.000 1.300 228 Y CB -0.225 38.389 38.460 0.257 0.000 1.130 228 Y HN -0.191 nan 8.280 nan 0.000 0.518 229 T N 2.767 117.364 114.554 0.072 0.000 3.078 229 T HA 0.380 4.730 4.350 0.001 0.000 0.328 229 T C -0.084 174.614 174.700 -0.003 0.000 0.987 229 T CA -0.622 61.496 62.100 0.029 0.000 1.049 229 T CB 0.512 69.327 68.868 -0.088 0.000 1.011 229 T HN 0.224 nan 8.240 nan 0.000 0.463 230 I N 2.017 122.586 120.570 -0.001 0.000 2.993 230 I HA 0.211 4.382 4.170 0.001 0.000 0.286 230 I C 0.115 176.234 176.117 0.004 0.000 1.215 230 I CA -0.205 61.086 61.300 -0.015 0.000 1.393 230 I CB 0.560 38.533 38.000 -0.044 0.000 1.371 230 I HN 0.238 nan 8.210 nan 0.000 0.602 231 V N 5.971 125.892 119.914 0.011 0.000 2.558 231 V HA 0.120 4.240 4.120 0.001 0.000 0.261 231 V C -0.103 176.021 176.094 0.050 0.000 0.958 231 V CA -0.514 61.822 62.300 0.060 0.000 0.852 231 V CB 1.154 32.989 31.823 0.019 0.000 1.067 231 V HN 0.436 nan 8.190 nan 0.000 0.468 232 V N 2.621 122.551 119.914 0.028 0.000 2.572 232 V HA 0.413 4.534 4.120 0.001 0.000 0.291 232 V C 0.699 176.810 176.094 0.029 0.000 1.039 232 V CA 0.433 62.738 62.300 0.008 0.000 1.055 232 V CB 1.614 33.421 31.823 -0.026 0.000 0.969 232 V HN 0.812 nan 8.190 nan 0.000 0.482 233 S N 4.290 120.008 115.700 0.030 0.000 2.789 233 S HA 0.713 5.184 4.470 0.001 0.000 0.286 233 S C -0.503 174.117 174.600 0.032 0.000 1.153 233 S CA -0.128 58.098 58.200 0.043 0.000 1.084 233 S CB 1.061 64.294 63.200 0.056 0.000 1.036 233 S HN 1.177 nan 8.310 nan 0.000 0.484 234 A N 4.158 126.994 122.820 0.027 0.000 2.277 234 A HA 0.717 5.037 4.320 0.001 0.000 0.318 234 A C 0.423 178.025 177.584 0.030 0.000 1.339 234 A CA -0.489 51.566 52.037 0.030 0.000 0.875 234 A CB 0.367 19.384 19.000 0.028 0.000 1.158 234 A HN 1.009 nan 8.150 nan 0.000 0.514 235 T N -1.228 113.345 114.554 0.032 0.000 2.938 235 T HA 0.642 4.992 4.350 0.001 0.000 0.285 235 T C 1.522 176.237 174.700 0.026 0.000 1.028 235 T CA 0.080 62.198 62.100 0.031 0.000 1.005 235 T CB 1.233 70.121 68.868 0.034 0.000 1.157 235 T HN 1.552 nan 8.240 nan 0.000 0.550 236 A N 1.591 124.426 122.820 0.025 0.000 1.913 236 A HA -0.261 4.059 4.320 0.001 0.000 0.236 236 A C 2.402 179.995 177.584 0.014 0.000 1.760 236 A CA 3.572 55.621 52.037 0.019 0.000 0.740 236 A CB -2.032 16.979 19.000 0.019 0.000 0.847 236 A HN 1.345 nan 8.150 nan 0.000 0.508 237 S N -0.570 115.139 115.700 0.014 0.000 2.470 237 S HA 0.101 4.571 4.470 0.001 0.000 0.225 237 S C 0.368 174.975 174.600 0.012 0.000 1.006 237 S CA 0.371 58.578 58.200 0.011 0.000 0.934 237 S CB -0.406 62.800 63.200 0.011 0.000 0.778 237 S HN 0.588 nan 8.310 nan 0.000 0.517 238 D N 2.408 122.818 120.400 0.018 0.000 2.400 238 D HA 0.531 5.171 4.640 0.001 0.000 0.238 238 D C 0.533 176.840 176.300 0.013 0.000 1.157 238 D CA 0.470 54.484 54.000 0.023 0.000 0.889 238 D CB 0.482 41.302 40.800 0.033 0.000 1.199 238 D HN 0.380 nan 8.370 nan 0.000 0.436 239 A N 1.394 124.222 122.820 0.013 0.000 2.387 239 A HA 0.409 4.729 4.320 0.001 0.000 0.251 239 A C 1.336 178.901 177.584 -0.032 0.000 1.113 239 A CA 0.501 52.529 52.037 -0.015 0.000 0.794 239 A CB -0.097 18.890 19.000 -0.021 0.000 1.069 239 A HN 0.620 nan 8.150 nan 0.000 0.506 240 A N 0.049 122.834 122.820 -0.059 0.000 1.841 240 A HA 0.063 4.383 4.320 0.001 0.000 0.214 240 A C -0.261 177.288 177.584 -0.059 0.000 1.195 240 A CA 1.810 53.815 52.037 -0.054 0.000 0.611 240 A CB -1.748 17.209 19.000 -0.071 0.000 0.835 240 A HN 0.583 nan 8.150 nan 0.000 0.443 241 P HA -0.075 nan 4.420 nan 0.000 0.225 241 P C 1.245 178.430 177.300 -0.191 0.000 1.148 241 P CA 0.692 63.656 63.100 -0.227 0.000 0.779 241 P CB -0.061 31.218 31.700 -0.701 0.000 0.780 242 L N -0.922 120.230 121.223 -0.118 0.000 2.217 242 L HA -0.133 4.208 4.340 0.001 0.000 0.211 242 L C 2.406 179.302 176.870 0.043 0.000 1.107 242 L CA 1.325 56.196 54.840 0.051 0.000 0.783 242 L CB -0.511 41.607 42.059 0.099 0.000 0.919 242 L HN 0.024 nan 8.230 nan 0.000 0.442 243 Q N -1.719 118.099 119.800 0.030 0.000 2.250 243 Q HA -0.173 4.168 4.340 0.001 0.000 0.200 243 Q C 1.932 177.951 176.000 0.031 0.000 0.941 243 Q CA 0.764 56.583 55.803 0.027 0.000 0.872 243 Q CB -0.266 28.492 28.738 0.035 0.000 0.965 243 Q HN 0.434 nan 8.270 nan 0.000 0.480 244 Y N 1.887 122.140 120.300 -0.077 0.000 2.114 244 Y HA -0.234 4.316 4.550 0.001 0.000 0.282 244 Y C 1.806 177.575 175.900 -0.219 0.000 1.165 244 Y CA 1.302 59.337 58.100 -0.108 0.000 1.148 244 Y CB -0.408 38.035 38.460 -0.028 0.000 0.972 244 Y HN 0.074 nan 8.280 nan 0.000 0.504 245 L N -0.148 120.884 121.223 -0.318 0.000 2.162 245 L HA 0.114 4.455 4.340 0.001 0.000 0.205 245 L C 2.614 179.355 176.870 -0.214 0.000 1.086 245 L CA 1.245 55.867 54.840 -0.362 0.000 0.778 245 L CB -0.865 41.193 42.059 -0.003 0.000 0.928 245 L HN 0.244 nan 8.230 nan 0.000 0.446 246 A N 1.009 123.763 122.820 -0.109 0.000 1.915 246 A HA -0.222 4.099 4.320 0.001 0.000 0.220 246 A C -0.337 177.203 177.584 -0.072 0.000 1.198 246 A CA 2.517 54.520 52.037 -0.057 0.000 0.647 246 A CB -2.139 16.842 19.000 -0.032 0.000 0.825 246 A HN 0.415 nan 8.150 nan 0.000 0.456 247 P HA -0.017 nan 4.420 nan 0.000 0.231 247 P C 0.989 178.385 177.300 0.160 0.000 1.168 247 P CA 0.782 63.908 63.100 0.043 0.000 0.779 247 P CB -0.155 31.686 31.700 0.234 0.000 0.844 248 Y N -0.001 120.304 120.300 0.008 0.000 2.133 248 Y HA -0.167 4.383 4.550 0.001 0.000 0.287 248 Y C 2.666 178.553 175.900 -0.022 0.000 1.134 248 Y CA 0.557 58.643 58.100 -0.024 0.000 1.133 248 Y CB -0.850 37.532 38.460 -0.130 0.000 0.987 248 Y HN -0.089 nan 8.280 nan 0.000 0.502 249 S N 0.222 116.000 115.700 0.128 0.000 2.380 249 S HA -0.275 4.196 4.470 0.001 0.000 0.229 249 S C 2.189 176.803 174.600 0.025 0.000 1.050 249 S CA 1.508 59.740 58.200 0.055 0.000 1.100 249 S CB -1.140 62.076 63.200 0.026 0.000 0.984 249 S HN 0.691 nan 8.310 nan 0.000 0.434 250 G N -0.614 108.177 108.800 -0.014 0.000 2.498 250 G HA2 -0.217 3.744 3.960 0.001 0.000 0.219 250 G HA3 -0.217 3.744 3.960 0.001 0.000 0.219 250 G C 1.539 176.390 174.900 -0.081 0.000 1.119 250 G CA 0.962 46.012 45.100 -0.083 0.000 0.766 250 G HN 0.588 nan 8.290 nan 0.000 0.552 251 C N -0.033 119.276 119.300 0.015 0.000 2.544 251 C HA 0.103 4.563 4.460 0.001 0.000 0.280 251 C C 3.220 178.254 174.990 0.073 0.000 1.295 251 C CA 1.437 60.499 59.018 0.073 0.000 1.702 251 C CB -0.726 27.131 27.740 0.196 0.000 2.090 251 C HN 0.399 nan 8.230 nan 0.000 0.493 252 S N 1.367 117.111 115.700 0.073 0.000 2.368 252 S HA -0.292 4.178 4.470 0.001 0.000 0.226 252 S C 1.707 176.376 174.600 0.115 0.000 1.044 252 S CA 2.386 60.635 58.200 0.081 0.000 1.062 252 S CB -0.572 62.662 63.200 0.057 0.000 0.931 252 S HN 0.661 nan 8.310 nan 0.000 0.440 253 M N 0.760 120.407 119.600 0.077 0.000 2.260 253 M HA -0.110 4.370 4.480 0.001 0.000 0.261 253 M C 2.212 178.603 176.300 0.152 0.000 1.066 253 M CA 1.559 56.914 55.300 0.093 0.000 1.082 253 M CB -0.722 31.882 32.600 0.007 0.000 1.388 253 M HN 0.473 nan 8.290 nan 0.000 0.419 254 G N -0.619 108.230 108.800 0.081 0.000 2.796 254 G HA2 -0.002 3.958 3.960 0.001 0.000 0.210 254 G HA3 -0.002 3.958 3.960 0.001 0.000 0.210 254 G C 1.318 176.343 174.900 0.207 0.000 1.146 254 G CA -0.132 45.001 45.100 0.055 0.000 0.779 254 G HN 0.427 nan 8.290 nan 0.000 0.535 255 E N -0.158 120.164 120.200 0.203 0.000 2.072 255 E HA -0.141 4.209 4.350 0.001 0.000 0.191 255 E C 1.853 178.608 176.600 0.258 0.000 0.985 255 E CA 0.791 57.306 56.400 0.192 0.000 0.801 255 E CB -0.241 29.542 29.700 0.138 0.000 0.750 255 E HN 0.560 nan 8.360 nan 0.000 0.452 256 Y N 1.194 121.610 120.300 0.194 0.000 2.014 256 Y HA -0.342 4.208 4.550 0.001 0.000 0.272 256 Y C 1.991 178.023 175.900 0.219 0.000 1.164 256 Y CA 1.891 60.100 58.100 0.182 0.000 1.114 256 Y CB -0.606 37.957 38.460 0.171 0.000 0.961 256 Y HN -0.082 nan 8.280 nan 0.000 0.489 257 F N 1.027 121.098 119.950 0.202 0.000 2.225 257 F HA -0.267 4.260 4.527 0.001 0.000 0.302 257 F C 2.697 178.521 175.800 0.039 0.000 1.068 257 F CA 2.095 60.150 58.000 0.093 0.000 1.327 257 F CB -0.720 38.447 39.000 0.280 0.000 1.043 257 F HN 0.245 nan 8.300 nan 0.000 0.506 258 R N 0.207 120.853 120.500 0.243 0.000 2.087 258 R HA -0.037 4.304 4.340 0.001 0.000 0.216 258 R C 1.399 177.750 176.300 0.085 0.000 1.114 258 R CA 1.451 57.654 56.100 0.171 0.000 1.002 258 R CB -0.650 29.747 30.300 0.162 0.000 0.903 258 R HN 0.033 nan 8.270 nan 0.000 0.445 259 D N 1.048 121.482 120.400 0.056 0.000 2.351 259 D HA -0.061 4.580 4.640 0.001 0.000 0.216 259 D C -0.092 176.176 176.300 -0.053 0.000 0.968 259 D CA 0.781 54.803 54.000 0.035 0.000 0.899 259 D CB -0.041 40.792 40.800 0.055 0.000 0.907 259 D HN 0.243 nan 8.370 nan 0.000 0.514 260 N N -0.404 118.193 118.700 -0.171 0.000 2.610 260 N HA 0.256 4.997 4.740 0.001 0.000 0.309 260 N C 0.693 176.105 175.510 -0.164 0.000 1.536 260 N CA 0.054 52.955 53.050 -0.248 0.000 0.954 260 N CB 0.931 39.086 38.487 -0.553 0.000 1.310 260 N HN 0.026 nan 8.380 nan 0.000 0.502 261 G N 0.603 109.368 108.800 -0.059 0.000 2.212 261 G HA2 -0.339 3.621 3.960 0.001 0.000 0.267 261 G HA3 -0.339 3.621 3.960 0.001 0.000 0.267 261 G C 0.206 175.079 174.900 -0.045 0.000 1.002 261 G CA 0.809 45.889 45.100 -0.034 0.000 0.729 261 G HN 0.393 nan 8.290 nan 0.000 0.517 262 K N -1.254 119.157 120.400 0.019 0.000 2.331 262 K HA 0.615 4.935 4.320 0.001 0.000 0.238 262 K C -0.564 176.203 176.600 0.279 0.000 1.058 262 K CA -0.973 55.365 56.287 0.085 0.000 0.871 262 K CB 1.373 34.017 32.500 0.239 0.000 1.292 262 K HN 0.345 nan 8.250 nan 0.000 0.470 263 H N -0.170 119.032 119.070 0.220 0.000 2.595 263 H HA 0.426 4.983 4.556 0.001 0.000 0.313 263 H C -1.042 174.398 175.328 0.186 0.000 1.023 263 H CA -0.896 55.238 56.048 0.144 0.000 1.218 263 H CB 1.668 31.445 29.762 0.026 0.000 1.403 263 H HN 0.564 nan 8.280 nan 0.000 0.477 264 A N 3.731 126.714 122.820 0.272 0.000 2.340 264 A HA 0.552 4.872 4.320 0.001 0.000 0.331 264 A C -1.122 176.500 177.584 0.063 0.000 1.140 264 A CA -0.671 51.447 52.037 0.135 0.000 0.801 264 A CB 1.073 20.106 19.000 0.056 0.000 1.234 264 A HN 0.597 nan 8.150 nan 0.000 0.469 265 L N 3.024 124.269 121.223 0.036 0.000 2.427 265 L HA 0.576 4.917 4.340 0.001 0.000 0.264 265 L C -0.979 175.895 176.870 0.007 0.000 0.989 265 L CA -0.171 54.689 54.840 0.033 0.000 0.865 265 L CB 0.791 42.883 42.059 0.054 0.000 1.209 265 L HN 0.732 nan 8.230 nan 0.000 0.430 266 I N 4.975 125.533 120.570 -0.020 0.000 2.428 266 I HA 0.490 4.661 4.170 0.001 0.000 0.296 266 I C -0.958 175.089 176.117 -0.117 0.000 0.985 266 I CA -0.591 60.632 61.300 -0.128 0.000 1.260 266 I CB 1.206 39.068 38.000 -0.230 0.000 1.389 266 I HN 0.581 nan 8.210 nan 0.000 0.484 267 I N 7.864 128.310 120.570 -0.208 0.000 2.439 267 I HA 0.214 4.384 4.170 0.001 0.000 0.283 267 I C -1.305 174.629 176.117 -0.306 0.000 1.023 267 I CA -0.575 60.650 61.300 -0.127 0.000 1.100 267 I CB 1.125 39.099 38.000 -0.044 0.000 1.238 267 I HN 0.412 nan 8.210 nan 0.000 0.445 268 Y N 4.168 124.364 120.300 -0.174 0.000 2.404 268 Y HA 0.406 4.957 4.550 0.001 0.000 0.344 268 Y C 0.135 175.914 175.900 -0.201 0.000 0.995 268 Y CA -0.998 56.988 58.100 -0.190 0.000 1.201 268 Y CB 0.346 38.743 38.460 -0.105 0.000 1.151 268 Y HN 0.380 nan 8.280 nan 0.000 0.517 269 D N 3.296 123.609 120.400 -0.145 0.000 2.346 269 D HA 0.222 4.862 4.640 0.001 0.000 0.255 269 D C -1.645 174.617 176.300 -0.063 0.000 1.276 269 D CA -0.565 53.363 54.000 -0.121 0.000 0.941 269 D CB 0.385 41.049 40.800 -0.227 0.000 1.199 269 D HN 0.684 nan 8.370 nan 0.000 0.537 270 D N 0.664 121.061 120.400 -0.004 0.000 2.552 270 D HA 0.265 4.906 4.640 0.001 0.000 0.239 270 D C 0.972 177.291 176.300 0.031 0.000 1.139 270 D CA -0.777 53.228 54.000 0.008 0.000 0.914 270 D CB 1.120 41.926 40.800 0.009 0.000 1.461 270 D HN 0.119 nan 8.370 nan 0.000 0.462 271 L N 0.233 121.460 121.223 0.007 0.000 2.275 271 L HA -0.079 4.262 4.340 0.001 0.000 0.215 271 L C 1.957 178.876 176.870 0.082 0.000 1.119 271 L CA 0.755 55.626 54.840 0.052 0.000 0.790 271 L CB -0.420 41.513 42.059 -0.210 0.000 0.919 271 L HN 0.438 nan 8.230 nan 0.000 0.443 272 S N 0.232 115.940 115.700 0.014 0.000 2.353 272 S HA -0.216 4.254 4.470 0.001 0.000 0.222 272 S C 1.989 176.649 174.600 0.099 0.000 1.035 272 S CA 1.514 59.743 58.200 0.047 0.000 1.025 272 S CB -0.091 63.131 63.200 0.037 0.000 0.902 272 S HN 0.327 nan 8.310 nan 0.000 0.440 273 K N 1.061 121.509 120.400 0.080 0.000 2.147 273 K HA -0.072 4.248 4.320 0.001 0.000 0.205 273 K C 2.442 179.096 176.600 0.091 0.000 1.049 273 K CA 0.921 57.255 56.287 0.080 0.000 0.936 273 K CB -0.127 32.406 32.500 0.056 0.000 0.722 273 K HN 0.329 nan 8.250 nan 0.000 0.446 274 Q N 0.443 120.301 119.800 0.096 0.000 2.050 274 Q HA -0.189 4.151 4.340 0.001 0.000 0.202 274 Q C 2.068 178.139 176.000 0.118 0.000 0.980 274 Q CA 1.733 57.589 55.803 0.089 0.000 0.840 274 Q CB -0.162 28.615 28.738 0.066 0.000 0.898 274 Q HN 0.336 nan 8.270 nan 0.000 0.424 275 A N 0.267 123.181 122.820 0.156 0.000 1.917 275 A HA -0.186 4.135 4.320 0.001 0.000 0.219 275 A C 2.254 180.005 177.584 0.278 0.000 1.182 275 A CA 1.885 54.027 52.037 0.175 0.000 0.633 275 A CB -0.934 18.165 19.000 0.165 0.000 0.819 275 A HN 0.326 nan 8.150 nan 0.000 0.448 276 V N -0.169 119.897 119.914 0.254 0.000 2.287 276 V HA -0.277 3.843 4.120 0.001 0.000 0.248 276 V C 3.043 179.187 176.094 0.083 0.000 1.053 276 V CA 2.032 64.446 62.300 0.190 0.000 1.027 276 V CB -1.473 30.420 31.823 0.118 0.000 0.646 276 V HN 0.652 nan 8.190 nan 0.000 0.447 277 A N -0.530 122.338 122.820 0.080 0.000 1.865 277 A HA -0.308 4.012 4.320 0.001 0.000 0.217 277 A C 2.201 179.790 177.584 0.009 0.000 1.191 277 A CA 2.305 54.367 52.037 0.040 0.000 0.623 277 A CB -0.958 18.081 19.000 0.065 0.000 0.826 277 A HN 0.624 nan 8.150 nan 0.000 0.444 278 Y N 0.658 120.916 120.300 -0.071 0.000 2.151 278 Y HA -0.280 4.270 4.550 0.001 0.000 0.284 278 Y C 2.501 178.312 175.900 -0.149 0.000 1.166 278 Y CA 2.260 60.230 58.100 -0.216 0.000 1.163 278 Y CB -0.463 37.847 38.460 -0.249 0.000 0.974 278 Y HN 0.370 nan 8.280 nan 0.000 0.511 279 R N 0.182 120.599 120.500 -0.139 0.000 2.096 279 R HA -0.277 4.064 4.340 0.001 0.000 0.240 279 R C 2.489 178.635 176.300 -0.256 0.000 1.139 279 R CA 2.160 58.144 56.100 -0.195 0.000 0.952 279 R CB -0.519 29.721 30.300 -0.100 0.000 0.854 279 R HN 0.572 nan 8.270 nan 0.000 0.436 280 Q N 0.155 119.843 119.800 -0.186 0.000 2.030 280 Q HA -0.227 4.113 4.340 0.001 0.000 0.204 280 Q C 2.214 178.094 176.000 -0.200 0.000 0.986 280 Q CA 2.265 57.971 55.803 -0.162 0.000 0.843 280 Q CB -0.090 28.583 28.738 -0.109 0.000 0.904 280 Q HN 0.441 nan 8.270 nan 0.000 0.420 281 M N -0.267 119.184 119.600 -0.248 0.000 2.073 281 M HA -0.230 4.251 4.480 0.001 0.000 0.258 281 M C 2.536 178.662 176.300 -0.290 0.000 1.070 281 M CA 1.872 57.018 55.300 -0.257 0.000 1.103 281 M CB -0.516 31.898 32.600 -0.310 0.000 1.321 281 M HN 0.216 nan 8.290 nan 0.000 0.405 282 S N 0.485 115.907 115.700 -0.463 0.000 2.370 282 S HA -0.125 4.346 4.470 0.001 0.000 0.226 282 S C 1.802 176.264 174.600 -0.230 0.000 1.033 282 S CA 1.277 59.224 58.200 -0.422 0.000 1.011 282 S CB -0.241 62.579 63.200 -0.634 0.000 0.852 282 S HN 0.381 nan 8.310 nan 0.000 0.457 283 L N 0.736 121.837 121.223 -0.204 0.000 2.109 283 L HA 0.061 4.401 4.340 0.001 0.000 0.207 283 L C 2.351 179.161 176.870 -0.101 0.000 1.086 283 L CA 0.898 55.659 54.840 -0.131 0.000 0.760 283 L CB -0.312 41.672 42.059 -0.125 0.000 0.910 283 L HN 0.338 nan 8.230 nan 0.000 0.437 284 L N -0.928 120.230 121.223 -0.109 0.000 2.217 284 L HA -0.184 4.157 4.340 0.001 0.000 0.211 284 L C 2.121 178.952 176.870 -0.065 0.000 1.107 284 L CA 0.820 55.612 54.840 -0.079 0.000 0.783 284 L CB -0.255 41.755 42.059 -0.082 0.000 0.919 284 L HN 0.269 nan 8.230 nan 0.000 0.442 285 L N -0.197 120.978 121.223 -0.080 0.000 2.622 285 L HA -0.005 4.335 4.340 0.001 0.000 0.233 285 L C 0.684 177.529 176.870 -0.040 0.000 1.156 285 L CA 0.068 54.874 54.840 -0.055 0.000 0.866 285 L CB -0.109 41.909 42.059 -0.068 0.000 0.980 285 L HN 0.307 nan 8.230 nan 0.000 0.448 286 R N -0.563 119.909 120.500 -0.047 0.000 3.878 286 R HA -0.166 4.174 4.340 0.001 0.000 0.330 286 R C -0.139 176.146 176.300 -0.025 0.000 1.186 286 R CA 0.542 56.623 56.100 -0.032 0.000 0.885 286 R CB -2.298 27.992 30.300 -0.017 0.000 1.377 286 R HN 0.403 nan 8.270 nan 0.000 0.523 287 R N 1.868 122.345 120.500 -0.038 0.000 2.291 287 R HA 0.184 4.524 4.340 0.001 0.000 0.333 287 R C -1.981 174.308 176.300 -0.018 0.000 1.082 287 R CA -1.568 54.518 56.100 -0.023 0.000 0.948 287 R CB 0.354 30.633 30.300 -0.035 0.000 1.009 287 R HN -0.116 nan 8.270 nan 0.000 0.460 288 P HA -0.087 nan 4.420 nan 0.000 0.261 288 P C -2.294 175.015 177.300 0.016 0.000 1.158 288 P CA -0.370 62.734 63.100 0.006 0.000 0.758 288 P CB 0.050 31.760 31.700 0.016 0.000 0.763 289 P HA 0.325 nan 4.420 nan 0.000 0.284 289 P C 0.284 177.621 177.300 0.062 0.000 1.258 289 P CA -0.242 62.874 63.100 0.026 0.000 0.824 289 P CB 1.406 33.104 31.700 -0.003 0.000 1.038 290 G N 1.370 110.240 108.800 0.117 0.000 3.271 290 G HA2 0.312 4.273 3.960 0.001 0.000 0.174 290 G HA3 0.312 4.273 3.960 0.001 0.000 0.174 290 G C -0.504 174.507 174.900 0.185 0.000 1.385 290 G CA -0.690 44.504 45.100 0.157 0.000 0.979 290 G HN 0.383 nan 8.290 nan 0.000 0.610 291 R N 0.744 121.415 120.500 0.284 0.000 2.442 291 R HA 0.273 4.613 4.340 0.001 0.000 0.291 291 R C 0.035 176.587 176.300 0.421 0.000 1.069 291 R CA 0.386 56.627 56.100 0.235 0.000 1.022 291 R CB 0.145 30.397 30.300 -0.080 0.000 0.976 291 R HN 0.685 nan 8.270 nan 0.000 0.443 292 E N 2.311 122.652 120.200 0.236 0.000 2.722 292 E HA -0.374 3.976 4.350 0.001 0.000 0.265 292 E C 0.423 177.005 176.600 -0.030 0.000 1.081 292 E CA 0.431 56.938 56.400 0.178 0.000 0.781 292 E CB -0.993 28.948 29.700 0.403 0.000 1.372 292 E HN 0.900 nan 8.360 nan 0.000 0.423 293 A N -2.463 120.367 122.820 0.018 0.000 4.018 293 A HA -0.330 3.990 4.320 0.001 0.000 0.252 293 A C 0.483 178.020 177.584 -0.078 0.000 0.872 293 A CA 1.556 53.546 52.037 -0.079 0.000 1.417 293 A CB -1.906 16.987 19.000 -0.179 0.000 1.002 293 A HN 0.411 nan 8.150 nan 0.000 0.777 294 Y N 0.740 121.083 120.300 0.073 0.000 2.554 294 Y HA 0.320 4.870 4.550 0.001 0.000 0.353 294 Y C -1.459 174.474 175.900 0.054 0.000 1.269 294 Y CA 0.033 58.149 58.100 0.027 0.000 1.494 294 Y CB -0.030 38.404 38.460 -0.044 0.000 1.365 294 Y HN 0.316 nan 8.280 nan 0.000 0.664 295 P HA 0.193 nan 4.420 nan 0.000 0.285 295 P C 0.397 177.838 177.300 0.235 0.000 1.285 295 P CA -0.295 62.904 63.100 0.165 0.000 0.854 295 P CB 1.105 32.852 31.700 0.079 0.000 1.180 296 G N 1.105 110.031 108.800 0.209 0.000 2.529 296 G HA2 -0.265 3.696 3.960 0.001 0.000 0.219 296 G HA3 -0.265 3.696 3.960 0.001 0.000 0.219 296 G C 0.770 175.822 174.900 0.252 0.000 1.177 296 G CA 1.057 46.290 45.100 0.223 0.000 0.773 296 G HN 0.676 nan 8.290 nan 0.000 0.573 297 D N 0.788 121.345 120.400 0.262 0.000 2.338 297 D HA 0.011 4.651 4.640 0.001 0.000 0.239 297 D C 1.980 178.400 176.300 0.200 0.000 1.095 297 D CA 0.134 54.302 54.000 0.280 0.000 0.888 297 D CB 0.024 41.014 40.800 0.316 0.000 0.899 297 D HN 0.210 nan 8.370 nan 0.000 0.525 298 V N 0.035 120.054 119.914 0.175 0.000 2.867 298 V HA -0.200 3.920 4.120 0.001 0.000 0.260 298 V C 1.596 177.691 176.094 0.001 0.000 1.099 298 V CA 1.104 63.415 62.300 0.018 0.000 1.122 298 V CB -0.859 30.886 31.823 -0.130 0.000 0.708 298 V HN 0.196 nan 8.190 nan 0.000 0.490 299 F N -0.292 119.663 119.950 0.009 0.000 2.147 299 F HA -0.048 4.480 4.527 0.001 0.000 0.291 299 F C 2.114 177.984 175.800 0.117 0.000 1.093 299 F CA 1.844 59.885 58.000 0.069 0.000 1.263 299 F CB -0.806 38.264 39.000 0.117 0.000 1.036 299 F HN 0.302 nan 8.300 nan 0.000 0.481 300 Y N 1.343 121.591 120.300 -0.087 0.000 2.102 300 Y HA -0.304 4.246 4.550 0.001 0.000 0.280 300 Y C 2.362 178.097 175.900 -0.274 0.000 1.178 300 Y CA 1.818 59.797 58.100 -0.201 0.000 1.146 300 Y CB -1.273 37.169 38.460 -0.029 0.000 0.968 300 Y HN 0.288 nan 8.280 nan 0.000 0.504 301 L N -0.271 120.764 121.223 -0.312 0.000 1.997 301 L HA -0.402 3.938 4.340 0.001 0.000 0.227 301 L C 2.411 179.054 176.870 -0.378 0.000 1.087 301 L CA 2.728 57.302 54.840 -0.444 0.000 0.797 301 L CB -0.751 40.954 42.059 -0.589 0.000 0.902 301 L HN 0.363 nan 8.230 nan 0.000 0.441 302 H N -1.356 117.557 119.070 -0.262 0.000 2.436 302 H HA -0.085 4.471 4.556 0.001 0.000 0.294 302 H C 2.446 177.579 175.328 -0.325 0.000 1.048 302 H CA 1.067 56.954 56.048 -0.268 0.000 1.353 302 H CB -0.010 29.606 29.762 -0.243 0.000 1.414 302 H HN 0.605 nan 8.280 nan 0.000 0.536 303 S N 1.660 117.122 115.700 -0.397 0.000 2.354 303 S HA -0.285 4.185 4.470 0.001 0.000 0.219 303 S C 2.182 176.672 174.600 -0.184 0.000 1.035 303 S CA 1.384 59.332 58.200 -0.421 0.000 1.037 303 S CB -0.342 62.425 63.200 -0.721 0.000 0.956 303 S HN 0.579 nan 8.310 nan 0.000 0.428 304 R N 1.722 122.139 120.500 -0.139 0.000 2.080 304 R HA 0.007 4.347 4.340 0.001 0.000 0.236 304 R C 2.659 178.879 176.300 -0.134 0.000 1.137 304 R CA 1.512 57.549 56.100 -0.104 0.000 0.943 304 R CB -1.262 28.925 30.300 -0.188 0.000 0.846 304 R HN 0.497 nan 8.270 nan 0.000 0.431 305 L N 1.046 122.194 121.223 -0.125 0.000 2.034 305 L HA -0.194 4.146 4.340 0.001 0.000 0.217 305 L C 2.380 179.213 176.870 -0.063 0.000 1.077 305 L CA 1.656 56.486 54.840 -0.016 0.000 0.769 305 L CB -0.217 41.959 42.059 0.196 0.000 0.890 305 L HN 0.302 nan 8.230 nan 0.000 0.435 306 L N -0.715 120.439 121.223 -0.115 0.000 2.478 306 L HA -0.071 4.269 4.340 0.001 0.000 0.223 306 L C 2.456 179.288 176.870 -0.063 0.000 1.140 306 L CA 0.276 55.041 54.840 -0.127 0.000 0.842 306 L CB -0.326 41.639 42.059 -0.156 0.000 0.953 306 L HN 0.322 nan 8.230 nan 0.000 0.452 307 E N 0.279 120.447 120.200 -0.053 0.000 2.158 307 E HA -0.131 4.219 4.350 0.001 0.000 0.191 307 E C 1.966 178.555 176.600 -0.018 0.000 0.982 307 E CA 0.562 56.943 56.400 -0.032 0.000 0.823 307 E CB 0.067 29.751 29.700 -0.027 0.000 0.766 307 E HN 0.412 nan 8.360 nan 0.000 0.468 308 R N 0.594 121.086 120.500 -0.014 0.000 2.377 308 R HA -0.010 4.331 4.340 0.001 0.000 0.207 308 R C 0.563 176.883 176.300 0.032 0.000 1.075 308 R CA 0.389 56.492 56.100 0.005 0.000 1.035 308 R CB -0.030 30.275 30.300 0.009 0.000 0.857 308 R HN -0.067 nan 8.270 nan 0.000 0.475 309 A N 0.627 123.466 122.820 0.032 0.000 2.274 309 A HA 0.708 5.029 4.320 0.001 0.000 0.309 309 A C -0.393 177.199 177.584 0.013 0.000 1.226 309 A CA -0.292 51.769 52.037 0.041 0.000 0.853 309 A CB 0.962 19.995 19.000 0.055 0.000 1.146 309 A HN 0.242 nan 8.150 nan 0.000 0.518 310 A N 2.084 124.911 122.820 0.011 0.000 2.583 310 A HA 0.805 5.125 4.320 0.001 0.000 0.289 310 A C -0.847 176.733 177.584 -0.007 0.000 1.151 310 A CA -0.739 51.294 52.037 -0.008 0.000 0.695 310 A CB 1.178 20.163 19.000 -0.025 0.000 1.290 310 A HN 0.824 nan 8.150 nan 0.000 0.419 311 K N 1.464 121.854 120.400 -0.017 0.000 2.414 311 K HA 0.475 4.795 4.320 0.001 0.000 0.251 311 K C -0.588 176.009 176.600 -0.004 0.000 1.037 311 K CA -0.340 55.940 56.287 -0.011 0.000 0.980 311 K CB 0.055 32.543 32.500 -0.021 0.000 1.280 311 K HN 0.592 nan 8.250 nan 0.000 0.451 312 M N 3.305 122.915 119.600 0.018 0.000 2.250 312 M HA 0.011 4.491 4.480 0.001 0.000 0.337 312 M C 0.665 176.998 176.300 0.054 0.000 1.161 312 M CA 0.332 55.642 55.300 0.017 0.000 1.088 312 M CB 0.031 32.674 32.600 0.071 0.000 1.639 312 M HN 0.762 nan 8.290 nan 0.000 0.447 313 N N 2.493 121.226 118.700 0.055 0.000 2.445 313 N HA 0.053 4.793 4.740 0.001 0.000 0.264 313 N C 0.005 175.610 175.510 0.158 0.000 1.227 313 N CA -0.373 52.734 53.050 0.097 0.000 0.963 313 N CB 1.016 39.558 38.487 0.090 0.000 1.188 313 N HN 0.440 nan 8.380 nan 0.000 0.491 314 D N 1.274 121.742 120.400 0.112 0.000 2.126 314 D HA -0.200 4.440 4.640 0.001 0.000 0.190 314 D C 1.500 177.859 176.300 0.098 0.000 1.001 314 D CA 2.087 56.140 54.000 0.089 0.000 0.841 314 D CB -0.670 40.162 40.800 0.054 0.000 0.949 314 D HN 0.781 nan 8.370 nan 0.000 0.446 315 A N -0.795 122.095 122.820 0.117 0.000 2.285 315 A HA -0.143 4.178 4.320 0.001 0.000 0.214 315 A C 1.166 178.705 177.584 -0.075 0.000 1.188 315 A CA 0.950 53.013 52.037 0.043 0.000 0.707 315 A CB -0.693 18.356 19.000 0.081 0.000 0.771 315 A HN 0.231 nan 8.150 nan 0.000 0.488 316 F N -3.552 116.399 119.950 0.001 0.000 2.915 316 F HA 0.400 4.928 4.527 0.001 0.000 0.347 316 F C 1.556 177.355 175.800 -0.003 0.000 1.104 316 F CA 0.518 58.518 58.000 0.000 0.000 1.126 316 F CB 1.139 40.143 39.000 0.007 0.000 1.145 316 F HN 0.273 nan 8.300 nan 0.000 0.541 317 G N -0.870 108.010 108.800 0.134 0.000 2.901 317 G HA2 0.136 4.096 3.960 0.001 0.000 0.194 317 G HA3 0.136 4.096 3.960 0.001 0.000 0.194 317 G C 1.204 176.144 174.900 0.067 0.000 1.020 317 G CA -0.044 45.098 45.100 0.070 0.000 0.787 317 G HN 0.869 nan 8.290 nan 0.000 0.477 318 G N -0.145 108.718 108.800 0.105 0.000 2.184 318 G HA2 0.171 4.131 3.960 0.001 0.000 0.264 318 G HA3 0.171 4.131 3.960 0.001 0.000 0.264 318 G C 1.253 176.258 174.900 0.174 0.000 0.975 318 G CA 1.180 46.346 45.100 0.110 0.000 0.642 318 G HN 1.984 nan 8.290 nan 0.000 0.536 319 G N -0.096 108.800 108.800 0.160 0.000 2.503 319 G HA2 0.666 4.627 3.960 0.001 0.000 0.257 319 G HA3 0.666 4.627 3.960 0.001 0.000 0.257 319 G C 0.326 175.366 174.900 0.235 0.000 1.214 319 G CA 1.108 46.351 45.100 0.239 0.000 0.839 319 G HN 1.662 nan 8.290 nan 0.000 0.559 320 S N -0.623 115.255 115.700 0.297 0.000 2.709 320 S HA 0.722 5.193 4.470 0.001 0.000 0.302 320 S C -1.148 173.507 174.600 0.092 0.000 1.127 320 S CA -0.845 57.401 58.200 0.076 0.000 0.905 320 S CB 2.081 65.166 63.200 -0.190 0.000 1.151 320 S HN 1.036 nan 8.310 nan 0.000 0.510 321 L N 1.867 123.114 121.223 0.041 0.000 2.492 321 L HA 0.444 4.784 4.340 0.001 0.000 0.259 321 L C -0.503 176.386 176.870 0.032 0.000 1.229 321 L CA 0.156 55.029 54.840 0.055 0.000 0.903 321 L CB 0.862 42.968 42.059 0.078 0.000 1.114 321 L HN 0.909 nan 8.230 nan 0.000 0.494 322 T N 2.822 117.383 114.554 0.012 0.000 2.888 322 T HA 0.642 4.992 4.350 0.001 0.000 0.301 322 T C 0.211 174.943 174.700 0.054 0.000 1.001 322 T CA 0.373 62.482 62.100 0.016 0.000 1.147 322 T CB 0.827 69.695 68.868 0.000 0.000 0.931 322 T HN 0.731 nan 8.240 nan 0.000 0.541 323 A N 4.141 127.004 122.820 0.071 0.000 2.332 323 A HA 0.625 4.946 4.320 0.001 0.000 0.300 323 A C -0.347 177.301 177.584 0.107 0.000 1.153 323 A CA -0.750 51.371 52.037 0.140 0.000 0.764 323 A CB 0.612 19.740 19.000 0.215 0.000 1.174 323 A HN 0.851 nan 8.150 nan 0.000 0.467 324 L N 4.402 125.699 121.223 0.123 0.000 2.287 324 L HA 0.333 4.674 4.340 0.001 0.000 0.280 324 L C -2.397 174.542 176.870 0.114 0.000 1.055 324 L CA -1.765 53.123 54.840 0.081 0.000 0.863 324 L CB 1.003 43.100 42.059 0.064 0.000 1.245 324 L HN 0.420 nan 8.230 nan 0.000 0.432 325 P HA 0.276 nan 4.420 nan 0.000 0.276 325 P C -0.656 176.626 177.300 -0.030 0.000 1.244 325 P CA -0.387 62.706 63.100 -0.011 0.000 0.801 325 P CB 1.701 33.297 31.700 -0.172 0.000 1.006 326 V N 3.238 123.132 119.914 -0.033 0.000 2.588 326 V HA 0.430 4.551 4.120 0.001 0.000 0.304 326 V C -0.266 175.794 176.094 -0.056 0.000 1.042 326 V CA -0.514 61.765 62.300 -0.034 0.000 0.877 326 V CB 1.773 33.596 31.823 -0.001 0.000 0.996 326 V HN 0.388 nan 8.190 nan 0.000 0.425 327 I N 3.548 124.085 120.570 -0.054 0.000 2.689 327 I HA 0.538 4.709 4.170 0.001 0.000 0.299 327 I C -0.221 175.897 176.117 0.001 0.000 1.059 327 I CA -0.549 60.721 61.300 -0.049 0.000 1.055 327 I CB 2.166 40.119 38.000 -0.078 0.000 1.243 327 I HN 0.729 nan 8.210 nan 0.000 0.425 328 E N 3.923 124.134 120.200 0.019 0.000 2.199 328 E HA 0.494 4.844 4.350 0.001 0.000 0.265 328 E C -1.007 175.628 176.600 0.058 0.000 0.882 328 E CA -0.394 56.033 56.400 0.044 0.000 0.759 328 E CB 1.697 31.424 29.700 0.044 0.000 1.148 328 E HN 0.714 nan 8.360 nan 0.000 0.412 329 T N 1.561 116.159 114.554 0.074 0.000 2.943 329 T HA 0.365 4.716 4.350 0.001 0.000 0.284 329 T C -0.094 174.649 174.700 0.071 0.000 1.015 329 T CA -1.035 61.115 62.100 0.083 0.000 1.042 329 T CB 1.577 70.509 68.868 0.107 0.000 1.055 329 T HN 0.318 nan 8.240 nan 0.000 0.500 330 Q N 0.679 120.520 119.800 0.069 0.000 2.368 330 Q HA 0.531 4.871 4.340 0.001 0.000 0.256 330 Q C 0.767 176.797 176.000 0.049 0.000 0.980 330 Q CA 0.006 55.844 55.803 0.058 0.000 0.887 330 Q CB 1.025 29.799 28.738 0.059 0.000 1.221 330 Q HN 1.198 nan 8.270 nan 0.000 0.458 331 A N 2.428 125.274 122.820 0.043 0.000 2.945 331 A HA -0.239 4.082 4.320 0.001 0.000 0.263 331 A C 1.200 178.803 177.584 0.032 0.000 1.293 331 A CA 1.900 53.958 52.037 0.035 0.000 0.944 331 A CB -1.948 17.069 19.000 0.028 0.000 1.093 331 A HN 1.498 nan 8.150 nan 0.000 0.786 332 G N -1.602 107.223 108.800 0.042 0.000 2.213 332 G HA2 -0.141 3.820 3.960 0.001 0.000 0.236 332 G HA3 -0.141 3.820 3.960 0.001 0.000 0.236 332 G C -0.038 174.882 174.900 0.033 0.000 0.991 332 G CA 0.870 45.990 45.100 0.033 0.000 0.629 332 G HN 1.630 nan 8.290 nan 0.000 0.517 333 D N 1.385 121.809 120.400 0.041 0.000 2.419 333 D HA 0.245 4.885 4.640 0.001 0.000 0.281 333 D C 1.784 178.125 176.300 0.069 0.000 1.398 333 D CA 0.901 54.928 54.000 0.046 0.000 1.047 333 D CB 0.476 41.307 40.800 0.051 0.000 1.115 333 D HN 0.946 nan 8.370 nan 0.000 0.540 334 V N 1.258 121.213 119.914 0.069 0.000 3.415 334 V HA 0.124 4.245 4.120 0.001 0.000 0.325 334 V C 1.099 177.247 176.094 0.089 0.000 1.313 334 V CA 0.351 62.717 62.300 0.110 0.000 1.228 334 V CB -0.063 31.858 31.823 0.164 0.000 1.131 334 V HN 0.329 nan 8.190 nan 0.000 0.433 335 S N 0.766 116.507 115.700 0.068 0.000 2.503 335 S HA 0.487 4.957 4.470 0.001 0.000 0.215 335 S C 1.365 176.011 174.600 0.076 0.000 1.003 335 S CA 0.368 58.603 58.200 0.057 0.000 0.910 335 S CB 0.101 63.322 63.200 0.036 0.000 0.790 335 S HN 1.002 nan 8.310 nan 0.000 0.514 336 A N 2.194 125.071 122.820 0.096 0.000 2.598 336 A HA 0.087 4.407 4.320 0.001 0.000 0.239 336 A C 0.946 178.640 177.584 0.182 0.000 1.032 336 A CA -0.095 52.022 52.037 0.134 0.000 0.760 336 A CB -0.453 18.626 19.000 0.131 0.000 0.946 336 A HN 0.315 nan 8.150 nan 0.000 0.512 337 Y N 2.826 123.161 120.300 0.060 0.000 1.931 337 Y HA -0.335 4.215 4.550 0.001 0.000 0.240 337 Y C 1.822 177.713 175.900 -0.014 0.000 1.189 337 Y CA 2.824 60.940 58.100 0.027 0.000 1.059 337 Y CB -0.854 37.627 38.460 0.034 0.000 0.880 337 Y HN 0.658 nan 8.280 nan 0.000 0.507 338 I N 0.054 120.688 120.570 0.106 0.000 2.076 338 I HA -0.243 3.928 4.170 0.001 0.000 0.237 338 I C -0.582 175.544 176.117 0.015 0.000 1.059 338 I CA 2.059 63.325 61.300 -0.057 0.000 1.317 338 I CB -2.053 35.842 38.000 -0.176 0.000 1.037 338 I HN 0.157 nan 8.210 nan 0.000 0.398 339 P HA -0.142 nan 4.420 nan 0.000 0.218 339 P C 1.400 178.738 177.300 0.064 0.000 1.146 339 P CA 1.765 64.888 63.100 0.038 0.000 0.813 339 P CB -0.346 31.402 31.700 0.080 0.000 0.778 340 T N -3.279 111.333 114.554 0.096 0.000 2.978 340 T HA -0.027 4.323 4.350 0.001 0.000 0.262 340 T C 1.580 176.344 174.700 0.107 0.000 1.063 340 T CA 1.000 63.159 62.100 0.098 0.000 1.140 340 T CB -0.893 68.030 68.868 0.093 0.000 0.886 340 T HN 0.255 nan 8.240 nan 0.000 0.470 341 N N 1.060 119.847 118.700 0.147 0.000 2.062 341 N HA -0.069 4.671 4.740 0.001 0.000 0.191 341 N C 1.863 177.490 175.510 0.196 0.000 1.042 341 N CA 1.050 54.243 53.050 0.238 0.000 0.845 341 N CB -0.289 38.396 38.487 0.330 0.000 1.024 341 N HN 0.056 nan 8.380 nan 0.000 0.424 342 V N 2.093 122.033 119.914 0.043 0.000 2.392 342 V HA -0.208 3.912 4.120 0.001 0.000 0.249 342 V C 2.064 178.143 176.094 -0.026 0.000 1.059 342 V CA 1.346 63.610 62.300 -0.061 0.000 1.051 342 V CB -0.515 31.168 31.823 -0.233 0.000 0.658 342 V HN 0.350 nan 8.190 nan 0.000 0.455 343 I N 0.974 121.543 120.570 -0.002 0.000 2.394 343 I HA -0.178 3.992 4.170 0.001 0.000 0.251 343 I C 2.535 178.671 176.117 0.033 0.000 1.136 343 I CA 1.755 63.052 61.300 -0.005 0.000 1.425 343 I CB -0.559 37.452 38.000 0.017 0.000 1.079 343 I HN 0.524 nan 8.210 nan 0.000 0.425 344 S N 0.485 116.234 115.700 0.080 0.000 2.515 344 S HA 0.011 4.481 4.470 0.001 0.000 0.231 344 S C 1.752 176.425 174.600 0.123 0.000 0.987 344 S CA 0.505 58.764 58.200 0.099 0.000 0.936 344 S CB -0.294 62.971 63.200 0.109 0.000 0.766 344 S HN 0.416 nan 8.310 nan 0.000 0.528 345 I N 1.681 122.319 120.570 0.113 0.000 2.681 345 I HA 0.034 4.205 4.170 0.001 0.000 0.247 345 I C 1.522 177.650 176.117 0.018 0.000 1.091 345 I CA 0.738 62.088 61.300 0.083 0.000 1.442 345 I CB -0.494 37.526 38.000 0.032 0.000 1.219 345 I HN 0.369 nan 8.210 nan 0.000 0.451 346 T N -0.908 113.636 114.554 -0.016 0.000 2.855 346 T HA -0.019 4.332 4.350 0.001 0.000 0.314 346 T C 0.322 175.011 174.700 -0.019 0.000 1.077 346 T CA -0.404 61.675 62.100 -0.034 0.000 1.095 346 T CB 0.433 69.263 68.868 -0.063 0.000 0.987 346 T HN 0.107 nan 8.240 nan 0.000 0.546 347 D N 1.699 122.087 120.400 -0.020 0.000 2.841 347 D HA 0.382 5.023 4.640 0.001 0.000 0.244 347 D C 1.143 177.433 176.300 -0.017 0.000 1.228 347 D CA 0.747 54.740 54.000 -0.012 0.000 0.872 347 D CB -0.839 39.955 40.800 -0.010 0.000 1.082 347 D HN 1.023 nan 8.370 nan 0.000 0.457 348 G N 0.787 109.570 108.800 -0.028 0.000 2.343 348 G HA2 0.167 4.127 3.960 0.001 0.000 0.562 348 G HA3 0.167 4.127 3.960 0.001 0.000 0.562 348 G C -1.608 173.243 174.900 -0.081 0.000 1.269 348 G CA -0.842 44.235 45.100 -0.038 0.000 1.011 348 G HN 0.266 nan 8.290 nan 0.000 0.498 349 Q N -1.028 118.706 119.800 -0.111 0.000 2.647 349 Q HA 0.562 4.903 4.340 0.001 0.000 0.283 349 Q C -1.530 174.351 176.000 -0.198 0.000 0.943 349 Q CA -0.882 54.803 55.803 -0.196 0.000 0.813 349 Q CB 0.853 29.381 28.738 -0.350 0.000 1.477 349 Q HN 1.271 nan 8.270 nan 0.000 0.393 350 I N 1.318 121.773 120.570 -0.191 0.000 2.354 350 I HA 0.452 4.622 4.170 0.001 0.000 0.292 350 I C -0.522 175.490 176.117 -0.174 0.000 0.989 350 I CA -0.771 60.462 61.300 -0.112 0.000 1.188 350 I CB 0.598 38.578 38.000 -0.033 0.000 1.342 350 I HN 0.374 nan 8.210 nan 0.000 0.457 351 F N 4.803 124.769 119.950 0.026 0.000 2.377 351 F HA 0.325 4.852 4.527 0.001 0.000 0.328 351 F C 0.646 176.467 175.800 0.036 0.000 1.094 351 F CA -0.186 57.832 58.000 0.029 0.000 1.093 351 F CB 1.280 40.297 39.000 0.029 0.000 1.214 351 F HN 0.329 nan 8.300 nan 0.000 0.518 352 L N 0.351 121.749 121.223 0.292 0.000 2.488 352 L HA 0.252 4.592 4.340 0.001 0.000 0.186 352 L C -0.208 176.757 176.870 0.158 0.000 1.124 352 L CA 0.560 55.510 54.840 0.183 0.000 0.838 352 L CB -0.368 41.776 42.059 0.141 0.000 1.107 352 L HN 0.562 nan 8.230 nan 0.000 0.494 353 E N -0.175 120.110 120.200 0.141 0.000 6.582 353 E HA -0.174 4.176 4.350 0.001 0.000 0.193 353 E C 0.635 177.315 176.600 0.132 0.000 1.234 353 E CA 0.387 56.853 56.400 0.110 0.000 1.476 353 E CB -0.926 28.824 29.700 0.084 0.000 0.955 353 E HN 0.490 nan 8.360 nan 0.000 0.300 354 T N 0.187 114.810 114.554 0.116 0.000 2.778 354 T HA -0.283 4.068 4.350 0.001 0.000 0.269 354 T C 1.520 176.361 174.700 0.234 0.000 1.050 354 T CA 1.548 63.720 62.100 0.120 0.000 1.137 354 T CB -0.041 68.913 68.868 0.143 0.000 0.860 354 T HN 0.572 nan 8.240 nan 0.000 0.468 355 E N 1.292 121.607 120.200 0.192 0.000 2.049 355 E HA -0.166 4.184 4.350 0.001 0.000 0.198 355 E C 2.195 178.910 176.600 0.191 0.000 1.007 355 E CA 1.341 57.855 56.400 0.190 0.000 0.809 355 E CB -0.261 29.504 29.700 0.109 0.000 0.749 355 E HN 0.563 nan 8.360 nan 0.000 0.450 356 L N -0.143 121.167 121.223 0.145 0.000 2.017 356 L HA -0.131 4.210 4.340 0.001 0.000 0.208 356 L C 2.613 179.558 176.870 0.126 0.000 1.073 356 L CA 1.154 56.059 54.840 0.109 0.000 0.745 356 L CB -0.879 41.223 42.059 0.072 0.000 0.894 356 L HN 0.184 nan 8.230 nan 0.000 0.432 357 F N 0.796 120.726 119.950 -0.035 0.000 2.032 357 F HA -0.395 4.133 4.527 0.001 0.000 0.297 357 F C 2.553 178.271 175.800 -0.138 0.000 1.125 357 F CA 2.059 59.972 58.000 -0.146 0.000 1.202 357 F CB -0.436 38.379 39.000 -0.309 0.000 0.958 357 F HN -0.110 nan 8.300 nan 0.000 0.491 358 Y N -0.102 120.478 120.300 0.466 0.000 2.352 358 Y HA -0.160 4.391 4.550 0.001 0.000 0.292 358 Y C 2.289 178.279 175.900 0.149 0.000 1.136 358 Y CA 1.281 59.564 58.100 0.306 0.000 1.227 358 Y CB -0.463 38.097 38.460 0.166 0.000 0.991 358 Y HN 0.037 nan 8.280 nan 0.000 0.545 359 K N -0.581 119.969 120.400 0.251 0.000 2.360 359 K HA -0.069 4.251 4.320 0.001 0.000 0.201 359 K C 1.507 178.153 176.600 0.076 0.000 1.046 359 K CA 0.977 57.347 56.287 0.138 0.000 0.945 359 K CB -0.242 32.322 32.500 0.106 0.000 0.750 359 K HN 0.529 nan 8.250 nan 0.000 0.464 360 G N 0.199 109.024 108.800 0.040 0.000 2.284 360 G HA2 -0.160 3.801 3.960 0.001 0.000 0.201 360 G HA3 -0.160 3.801 3.960 0.001 0.000 0.201 360 G C 0.062 174.904 174.900 -0.097 0.000 0.998 360 G CA -0.385 44.699 45.100 -0.027 0.000 0.651 360 G HN 0.095 nan 8.290 nan 0.000 0.489 361 I N 3.078 123.598 120.570 -0.083 0.000 2.382 361 I HA 0.262 4.432 4.170 0.001 0.000 0.297 361 I C 0.838 176.835 176.117 -0.199 0.000 1.172 361 I CA 0.061 61.303 61.300 -0.096 0.000 1.825 361 I CB -1.201 36.779 38.000 -0.033 0.000 1.509 361 I HN 0.171 nan 8.210 nan 0.000 0.842 362 R N 5.244 125.575 120.500 -0.281 0.000 2.295 362 R HA 0.425 4.766 4.340 0.001 0.000 0.324 362 R C -2.407 173.760 176.300 -0.221 0.000 0.968 362 R CA -1.675 54.184 56.100 -0.403 0.000 0.837 362 R CB 1.146 31.075 30.300 -0.617 0.000 1.133 362 R HN 0.120 nan 8.270 nan 0.000 0.450 363 P HA 0.066 nan 4.420 nan 0.000 0.276 363 P C -0.731 176.505 177.300 -0.107 0.000 1.253 363 P CA -0.307 62.704 63.100 -0.147 0.000 0.766 363 P CB 1.082 32.744 31.700 -0.064 0.000 0.845 364 A N 3.885 126.638 122.820 -0.112 0.000 2.476 364 A HA 0.213 4.533 4.320 0.001 0.000 0.275 364 A C 0.800 178.415 177.584 0.050 0.000 1.133 364 A CA 0.186 52.215 52.037 -0.012 0.000 0.797 364 A CB -0.995 18.049 19.000 0.074 0.000 1.081 364 A HN 0.550 nan 8.150 nan 0.000 0.510 365 I N 0.370 120.970 120.570 0.051 0.000 4.033 365 I HA 0.237 4.407 4.170 0.001 0.000 0.296 365 I C 0.574 176.760 176.117 0.113 0.000 1.210 365 I CA -0.440 60.907 61.300 0.078 0.000 1.341 365 I CB -0.972 37.060 38.000 0.053 0.000 1.369 365 I HN 0.611 nan 8.210 nan 0.000 0.453 366 N N 1.630 120.383 118.700 0.089 0.000 2.471 366 N HA -0.128 4.613 4.740 0.001 0.000 0.286 366 N C 0.786 176.358 175.510 0.102 0.000 1.327 366 N CA 0.600 53.703 53.050 0.089 0.000 0.657 366 N CB 0.059 38.603 38.487 0.094 0.000 0.901 366 N HN 0.201 nan 8.380 nan 0.000 0.531 367 V N 2.985 122.946 119.914 0.079 0.000 2.215 367 V HA -0.243 3.878 4.120 0.001 0.000 0.246 367 V C 2.623 178.766 176.094 0.082 0.000 1.047 367 V CA 2.563 64.908 62.300 0.075 0.000 0.999 367 V CB -1.088 30.774 31.823 0.065 0.000 0.635 367 V HN 0.749 nan 8.190 nan 0.000 0.450 368 G N -0.916 107.926 108.800 0.069 0.000 2.626 368 G HA2 -0.297 3.664 3.960 0.001 0.000 0.224 368 G HA3 -0.297 3.664 3.960 0.001 0.000 0.224 368 G C 1.496 176.441 174.900 0.074 0.000 1.095 368 G CA 1.523 46.659 45.100 0.060 0.000 0.738 368 G HN 0.484 nan 8.290 nan 0.000 0.600 369 L N 0.030 121.316 121.223 0.105 0.000 2.590 369 L HA 0.258 4.598 4.340 0.001 0.000 0.227 369 L C 0.715 177.782 176.870 0.328 0.000 1.099 369 L CA -0.163 54.779 54.840 0.170 0.000 0.872 369 L CB 0.470 42.564 42.059 0.059 0.000 1.088 369 L HN -0.002 nan 8.230 nan 0.000 0.479 370 S N 0.296 116.134 115.700 0.230 0.000 2.513 370 S HA 0.433 4.904 4.470 0.001 0.000 0.276 370 S C -0.276 174.375 174.600 0.085 0.000 1.254 370 S CA -0.501 57.789 58.200 0.150 0.000 1.053 370 S CB 1.309 64.570 63.200 0.102 0.000 0.958 370 S HN 0.063 nan 8.310 nan 0.000 0.491 371 V N 1.052 120.995 119.914 0.048 0.000 2.823 371 V HA 0.816 4.936 4.120 0.001 0.000 0.312 371 V C -0.129 175.969 176.094 0.007 0.000 1.072 371 V CA -0.886 61.433 62.300 0.032 0.000 0.937 371 V CB 1.917 33.762 31.823 0.037 0.000 1.013 371 V HN 0.667 nan 8.190 nan 0.000 0.430 372 S N 2.251 117.958 115.700 0.010 0.000 2.601 372 S HA 0.420 4.890 4.470 0.001 0.000 0.312 372 S C 0.678 175.282 174.600 0.005 0.000 1.107 372 S CA -0.786 57.416 58.200 0.004 0.000 1.129 372 S CB 0.601 63.805 63.200 0.007 0.000 0.982 372 S HN 0.782 nan 8.310 nan 0.000 0.469 373 R N 3.275 123.776 120.500 0.002 0.000 2.346 373 R HA 0.082 4.422 4.340 0.001 0.000 0.208 373 R C 0.461 176.763 176.300 0.003 0.000 1.052 373 R CA 0.302 56.404 56.100 0.004 0.000 1.116 373 R CB -0.176 30.126 30.300 0.004 0.000 1.003 373 R HN 0.471 nan 8.270 nan 0.000 0.482 374 V N -1.049 118.867 119.914 0.002 0.000 3.485 374 V HA 0.150 4.271 4.120 0.001 0.000 0.280 374 V C 1.228 177.324 176.094 0.004 0.000 1.495 374 V CA 0.671 62.971 62.300 0.001 0.000 1.018 374 V CB 0.814 32.635 31.823 -0.003 0.000 0.818 374 V HN 0.638 nan 8.190 nan 0.000 0.436 375 G N 1.877 110.681 108.800 0.006 0.000 2.594 375 G HA2 -0.407 3.554 3.960 0.001 0.000 0.297 375 G HA3 -0.407 3.554 3.960 0.001 0.000 0.297 375 G C 1.242 176.147 174.900 0.009 0.000 1.273 375 G CA 1.124 46.230 45.100 0.009 0.000 0.974 375 G HN 0.986 nan 8.290 nan 0.000 0.552 376 S N 0.015 115.721 115.700 0.010 0.000 2.453 376 S HA 0.272 4.742 4.470 0.001 0.000 0.231 376 S C 2.561 177.165 174.600 0.007 0.000 1.005 376 S CA 1.559 59.765 58.200 0.010 0.000 0.949 376 S CB -0.433 62.775 63.200 0.012 0.000 0.774 376 S HN 2.160 nan 8.310 nan 0.000 0.510 377 A N 0.981 123.804 122.820 0.005 0.000 2.298 377 A HA 0.324 4.644 4.320 0.001 0.000 0.215 377 A C 1.673 179.256 177.584 -0.002 0.000 1.193 377 A CA 1.315 53.352 52.037 0.001 0.000 0.697 377 A CB -0.875 18.125 19.000 0.001 0.000 0.774 377 A HN 1.178 nan 8.150 nan 0.000 0.492 378 A N -1.121 121.699 122.820 -0.000 0.000 2.568 378 A HA 0.462 4.783 4.320 0.001 0.000 0.287 378 A C 0.214 177.800 177.584 0.002 0.000 0.967 378 A CA -0.434 51.601 52.037 -0.004 0.000 1.004 378 A CB 0.260 19.257 19.000 -0.006 0.000 1.233 378 A HN 0.546 nan 8.150 nan 0.000 0.513 379 Q N -0.124 119.680 119.800 0.006 0.000 2.418 379 Q HA 0.579 4.919 4.340 0.001 0.000 0.276 379 Q C -0.064 175.940 176.000 0.007 0.000 1.081 379 Q CA -0.769 55.041 55.803 0.011 0.000 0.864 379 Q CB 0.974 29.723 28.738 0.018 0.000 1.384 379 Q HN 0.372 nan 8.270 nan 0.000 0.467 380 T N -2.154 112.407 114.554 0.011 0.000 2.860 380 T HA 0.157 4.508 4.350 0.001 0.000 0.299 380 T C 0.655 175.363 174.700 0.014 0.000 1.045 380 T CA -0.511 61.594 62.100 0.008 0.000 1.071 380 T CB 0.869 69.743 68.868 0.011 0.000 0.985 380 T HN 0.721 nan 8.240 nan 0.000 0.537 381 R N 0.792 121.298 120.500 0.011 0.000 2.346 381 R HA 0.184 4.525 4.340 0.001 0.000 0.199 381 R C 1.777 178.091 176.300 0.023 0.000 1.015 381 R CA 0.705 56.815 56.100 0.016 0.000 1.058 381 R CB -0.820 29.487 30.300 0.011 0.000 0.921 381 R HN 0.804 nan 8.270 nan 0.000 0.475 382 A N -0.010 122.825 122.820 0.024 0.000 1.924 382 A HA -0.014 4.306 4.320 0.001 0.000 0.211 382 A C 1.835 179.448 177.584 0.047 0.000 1.198 382 A CA 0.404 52.460 52.037 0.032 0.000 0.657 382 A CB -0.208 18.807 19.000 0.025 0.000 0.852 382 A HN 0.382 nan 8.150 nan 0.000 0.454 383 M N 0.357 119.983 119.600 0.043 0.000 2.064 383 M HA -0.022 4.459 4.480 0.001 0.000 0.260 383 M C 1.982 178.309 176.300 0.045 0.000 1.073 383 M CA 2.170 57.500 55.300 0.049 0.000 1.124 383 M CB -0.533 32.093 32.600 0.042 0.000 1.326 383 M HN 0.380 nan 8.290 nan 0.000 0.410 384 K N -0.402 120.019 120.400 0.035 0.000 2.163 384 K HA -0.308 4.012 4.320 0.001 0.000 0.210 384 K C 1.866 178.487 176.600 0.036 0.000 1.048 384 K CA 2.308 58.613 56.287 0.030 0.000 0.928 384 K CB -0.232 32.282 32.500 0.024 0.000 0.716 384 K HN 0.590 nan 8.250 nan 0.000 0.459 385 Q N -0.478 119.350 119.800 0.047 0.000 2.378 385 Q HA -0.051 4.290 4.340 0.001 0.000 0.205 385 Q C 1.605 177.648 176.000 0.071 0.000 0.954 385 Q CA 1.079 56.917 55.803 0.058 0.000 0.901 385 Q CB 0.522 29.302 28.738 0.069 0.000 0.981 385 Q HN 0.314 nan 8.270 nan 0.000 0.483 386 V N -4.108 115.851 119.914 0.075 0.000 3.578 386 V HA 0.478 4.598 4.120 0.001 0.000 0.290 386 V C 0.619 176.736 176.094 0.037 0.000 1.376 386 V CA 0.299 62.644 62.300 0.074 0.000 1.083 386 V CB 0.586 32.479 31.823 0.116 0.000 0.911 386 V HN 0.082 nan 8.190 nan 0.000 0.433 387 A N 0.206 123.045 122.820 0.032 0.000 3.306 387 A HA 0.665 4.985 4.320 0.001 0.000 0.236 387 A C 0.689 178.284 177.584 0.019 0.000 1.182 387 A CA 0.355 52.404 52.037 0.020 0.000 1.024 387 A CB -0.029 18.986 19.000 0.024 0.000 1.384 387 A HN 0.441 nan 8.150 nan 0.000 0.751 388 G N -0.493 108.317 108.800 0.016 0.000 2.945 388 G HA2 0.341 4.301 3.960 0.001 0.000 0.225 388 G HA3 0.341 4.301 3.960 0.001 0.000 0.225 388 G C 0.730 175.637 174.900 0.011 0.000 1.046 388 G CA 0.955 46.064 45.100 0.015 0.000 0.842 388 G HN 1.074 nan 8.290 nan 0.000 0.543 389 T N -2.193 112.366 114.554 0.008 0.000 3.399 389 T HA 0.244 4.594 4.350 0.001 0.000 0.305 389 T C 1.409 176.110 174.700 0.001 0.000 0.983 389 T CA 0.029 62.132 62.100 0.005 0.000 0.967 389 T CB 0.065 68.934 68.868 0.002 0.000 1.186 389 T HN 0.177 nan 8.240 nan 0.000 0.504 390 M N -0.004 119.597 119.600 0.001 0.000 2.371 390 M HA 0.501 4.982 4.480 0.001 0.000 0.246 390 M C 1.717 178.022 176.300 0.008 0.000 1.103 390 M CA 0.202 55.499 55.300 -0.004 0.000 1.010 390 M CB 0.194 32.785 32.600 -0.015 0.000 1.457 390 M HN 0.006 nan 8.290 nan 0.000 0.486 391 K N 0.951 121.360 120.400 0.015 0.000 2.211 391 K HA 0.115 4.436 4.320 0.001 0.000 0.201 391 K C 1.300 177.917 176.600 0.028 0.000 1.052 391 K CA 0.743 57.044 56.287 0.024 0.000 0.973 391 K CB 0.134 32.649 32.500 0.024 0.000 0.766 391 K HN 0.500 nan 8.250 nan 0.000 0.466 392 L N 0.761 121.997 121.223 0.022 0.000 2.591 392 L HA 0.072 4.413 4.340 0.001 0.000 0.228 392 L C 2.064 178.948 176.870 0.024 0.000 1.133 392 L CA 0.183 55.035 54.840 0.021 0.000 0.880 392 L CB 0.143 42.209 42.059 0.013 0.000 1.033 392 L HN 0.219 nan 8.230 nan 0.000 0.450 393 E N 0.478 120.695 120.200 0.029 0.000 2.244 393 E HA 0.024 4.374 4.350 0.001 0.000 0.196 393 E C 1.389 178.043 176.600 0.089 0.000 0.939 393 E CA 0.230 56.654 56.400 0.039 0.000 0.884 393 E CB 0.476 30.181 29.700 0.009 0.000 0.850 393 E HN 0.409 nan 8.360 nan 0.000 0.481 394 L N 0.972 122.246 121.223 0.085 0.000 2.888 394 L HA 0.296 4.636 4.340 0.001 0.000 0.237 394 L C 0.853 177.793 176.870 0.115 0.000 1.288 394 L CA 0.177 55.108 54.840 0.153 0.000 1.110 394 L CB 0.386 42.508 42.059 0.105 0.000 1.441 394 L HN 0.073 nan 8.230 nan 0.000 0.474 395 A N -1.445 121.423 122.820 0.081 0.000 2.653 395 A HA 0.183 4.503 4.320 0.001 0.000 0.248 395 A C 1.578 179.175 177.584 0.023 0.000 1.211 395 A CA -0.149 51.914 52.037 0.044 0.000 0.991 395 A CB 0.551 19.571 19.000 0.034 0.000 1.252 395 A HN 0.287 nan 8.150 nan 0.000 0.593 396 Q N -2.021 117.803 119.800 0.041 0.000 2.532 396 Q HA 0.080 4.420 4.340 0.001 0.000 0.247 396 Q C 1.636 177.652 176.000 0.026 0.000 0.872 396 Q CA 0.783 56.595 55.803 0.014 0.000 0.963 396 Q CB 0.023 28.767 28.738 0.010 0.000 1.159 396 Q HN 0.750 nan 8.270 nan 0.000 0.598 397 Y N 1.968 122.252 120.300 -0.025 0.000 2.274 397 Y HA -0.139 4.411 4.550 0.000 0.000 0.290 397 Y C 2.039 177.929 175.900 -0.016 0.000 1.145 397 Y CA 1.433 59.519 58.100 -0.025 0.000 1.203 397 Y CB 0.014 38.458 38.460 -0.027 0.000 0.984 397 Y HN -0.054 nan 8.280 nan 0.000 0.533 398 R N 0.408 120.765 120.500 -0.237 0.000 2.096 398 R HA -0.211 4.129 4.340 0.001 0.000 0.229 398 R C 2.302 178.457 176.300 -0.241 0.000 1.134 398 R CA 1.767 57.693 56.100 -0.290 0.000 0.917 398 R CB -0.699 29.561 30.300 -0.067 0.000 0.832 398 R HN 0.384 nan 8.270 nan 0.000 0.430 399 E N 1.092 121.218 120.200 -0.123 0.000 2.265 399 E HA -0.114 4.237 4.350 0.001 0.000 0.196 399 E C 0.577 177.130 176.600 -0.078 0.000 0.996 399 E CA 0.864 57.216 56.400 -0.080 0.000 0.832 399 E CB 0.304 29.963 29.700 -0.068 0.000 0.756 399 E HN 0.109 nan 8.360 nan 0.000 0.491 400 V N 0.671 120.513 119.914 -0.120 0.000 3.063 400 V HA 0.290 4.410 4.120 0.001 0.000 0.379 400 V C 0.747 176.766 176.094 -0.125 0.000 1.310 400 V CA 0.627 62.877 62.300 -0.083 0.000 1.333 400 V CB 0.291 32.079 31.823 -0.059 0.000 1.331 400 V HN 0.282 nan 8.190 nan 0.000 0.527 401 A N -0.251 122.462 122.820 -0.177 0.000 2.736 401 A HA 0.669 4.989 4.320 0.001 0.000 0.222 401 A C 1.515 179.021 177.584 -0.131 0.000 1.267 401 A CA 0.770 52.689 52.037 -0.196 0.000 1.026 401 A CB 0.284 19.058 19.000 -0.377 0.000 1.281 401 A HN 0.505 nan 8.150 nan 0.000 0.577 402 A N -1.448 121.328 122.820 -0.074 0.000 2.252 402 A HA 0.491 4.812 4.320 0.001 0.000 0.213 402 A C 1.368 179.006 177.584 0.090 0.000 1.188 402 A CA 0.669 52.704 52.037 -0.004 0.000 0.863 402 A CB -0.339 18.661 19.000 -0.001 0.000 0.893 402 A HN 0.453 nan 8.150 nan 0.000 0.495 403 F N 0.317 120.211 119.950 -0.094 0.000 2.243 403 F HA 0.406 4.933 4.527 0.001 0.000 0.287 403 F C 1.760 177.429 175.800 -0.219 0.000 1.067 403 F CA 0.813 58.772 58.000 -0.068 0.000 1.304 403 F CB 0.097 39.058 39.000 -0.066 0.000 1.087 403 F HN 0.103 nan 8.300 nan 0.000 0.513 404 A N 0.563 123.275 122.820 -0.180 0.000 3.260 404 A HA 0.247 4.568 4.320 0.001 0.000 0.268 404 A C 1.097 178.404 177.584 -0.461 0.000 1.491 404 A CA -0.292 51.414 52.037 -0.552 0.000 1.181 404 A CB -0.704 18.113 19.000 -0.306 0.000 1.137 404 A HN 0.557 nan 8.150 nan 0.000 0.642 405 Q N 0.193 119.758 119.800 -0.393 0.000 2.083 405 Q HA 0.002 4.342 4.340 0.001 0.000 0.198 405 Q C 0.135 176.074 176.000 -0.101 0.000 0.969 405 Q CA 0.913 56.635 55.803 -0.136 0.000 0.838 405 Q CB -0.267 28.493 28.738 0.037 0.000 0.900 405 Q HN 0.893 nan 8.270 nan 0.000 0.436 406 F N -0.449 119.470 119.950 -0.052 0.000 2.410 406 F HA 0.457 4.984 4.527 0.000 0.000 0.334 406 F C 1.036 176.816 175.800 -0.033 0.000 1.134 406 F CA -1.114 56.859 58.000 -0.046 0.000 1.227 406 F CB 0.328 39.291 39.000 -0.061 0.000 1.194 406 F HN -0.184 nan 8.300 nan 0.000 0.571 407 G N 1.339 110.219 108.800 0.132 0.000 2.821 407 G HA2 0.414 4.375 3.960 0.001 0.000 0.289 407 G HA3 0.414 4.375 3.960 0.001 0.000 0.289 407 G C -0.150 174.790 174.900 0.067 0.000 0.771 407 G CA 0.171 45.303 45.100 0.053 0.000 1.908 407 G HN 0.946 nan 8.290 nan 0.000 0.539 408 S N 0.782 116.497 115.700 0.026 0.000 4.163 408 S HA 0.699 5.169 4.470 0.001 0.000 0.246 408 S C -0.917 173.680 174.600 -0.005 0.000 1.069 408 S CA -0.560 57.664 58.200 0.039 0.000 1.544 408 S CB 1.448 64.712 63.200 0.107 0.000 1.166 408 S HN 0.448 nan 8.310 nan 0.000 0.747 409 D N 0.232 120.630 120.400 -0.003 0.000 2.619 409 D HA 0.687 5.327 4.640 0.001 0.000 0.241 409 D C -1.159 175.131 176.300 -0.016 0.000 1.087 409 D CA -0.485 53.509 54.000 -0.009 0.000 0.851 409 D CB 1.252 42.055 40.800 0.004 0.000 1.474 409 D HN 0.501 nan 8.370 nan 0.000 0.478 410 L N 1.054 122.266 121.223 -0.019 0.000 2.434 410 L HA 0.306 4.646 4.340 0.001 0.000 0.260 410 L C 0.191 177.057 176.870 -0.008 0.000 0.983 410 L CA -1.090 53.742 54.840 -0.014 0.000 0.820 410 L CB 1.943 43.986 42.059 -0.028 0.000 1.361 410 L HN 0.441 nan 8.230 nan 0.000 0.410 411 D N 1.730 122.129 120.400 -0.002 0.000 2.232 411 D HA -0.003 4.637 4.640 0.001 0.000 0.242 411 D C 1.121 177.416 176.300 -0.008 0.000 1.330 411 D CA 0.395 54.394 54.000 -0.003 0.000 0.954 411 D CB 0.542 41.342 40.800 -0.000 0.000 1.202 411 D HN 0.581 nan 8.370 nan 0.000 0.530 412 A N -0.766 122.048 122.820 -0.008 0.000 2.066 412 A HA 0.198 4.519 4.320 0.001 0.000 0.218 412 A C 2.152 179.728 177.584 -0.014 0.000 1.157 412 A CA 1.966 53.996 52.037 -0.012 0.000 0.670 412 A CB -0.927 18.066 19.000 -0.012 0.000 0.804 412 A HN 0.656 nan 8.150 nan 0.000 0.453 413 A N -0.356 122.456 122.820 -0.012 0.000 1.878 413 A HA 0.033 4.354 4.320 0.001 0.000 0.213 413 A C 2.130 179.707 177.584 -0.012 0.000 1.192 413 A CA 1.907 53.936 52.037 -0.014 0.000 0.619 413 A CB -0.908 18.084 19.000 -0.014 0.000 0.837 413 A HN 0.730 nan 8.150 nan 0.000 0.446 414 T N -2.900 111.648 114.554 -0.009 0.000 3.244 414 T HA 0.226 4.576 4.350 0.001 0.000 0.254 414 T C 1.170 175.867 174.700 -0.004 0.000 1.024 414 T CA 0.559 62.656 62.100 -0.004 0.000 0.920 414 T CB 0.406 69.269 68.868 -0.007 0.000 1.042 414 T HN 0.456 nan 8.240 nan 0.000 0.572 415 Q N 0.476 120.270 119.800 -0.009 0.000 2.302 415 Q HA 0.095 4.435 4.340 0.001 0.000 0.202 415 Q C 2.349 178.343 176.000 -0.009 0.000 0.936 415 Q CA 0.631 56.427 55.803 -0.012 0.000 0.886 415 Q CB 0.054 28.782 28.738 -0.017 0.000 0.986 415 Q HN 0.721 nan 8.270 nan 0.000 0.487 416 Q N -0.347 119.446 119.800 -0.012 0.000 2.089 416 Q HA -0.104 4.236 4.340 0.001 0.000 0.195 416 Q C 1.963 177.956 176.000 -0.012 0.000 0.963 416 Q CA 0.641 56.430 55.803 -0.023 0.000 0.834 416 Q CB -0.019 28.697 28.738 -0.036 0.000 0.906 416 Q HN 0.402 nan 8.270 nan 0.000 0.452 417 L N 0.976 122.208 121.223 0.015 0.000 2.064 417 L HA -0.241 4.100 4.340 0.001 0.000 0.216 417 L C 2.134 179.077 176.870 0.122 0.000 1.077 417 L CA 1.620 56.492 54.840 0.053 0.000 0.766 417 L CB -0.467 41.651 42.059 0.100 0.000 0.890 417 L HN 0.320 nan 8.230 nan 0.000 0.435 418 L N -1.602 119.722 121.223 0.169 0.000 2.072 418 L HA -0.150 4.190 4.340 0.001 0.000 0.205 418 L C 2.331 179.249 176.870 0.079 0.000 1.079 418 L CA 1.371 56.358 54.840 0.245 0.000 0.752 418 L CB -0.358 41.787 42.059 0.144 0.000 0.906 418 L HN 0.165 nan 8.230 nan 0.000 0.436 419 S N -0.766 114.942 115.700 0.012 0.000 2.528 419 S HA -0.209 4.261 4.470 0.001 0.000 0.244 419 S C 1.707 176.258 174.600 -0.082 0.000 0.982 419 S CA 1.291 59.471 58.200 -0.034 0.000 0.953 419 S CB -0.298 62.877 63.200 -0.041 0.000 0.754 419 S HN 0.359 nan 8.310 nan 0.000 0.529 420 R N 1.160 121.590 120.500 -0.118 0.000 2.086 420 R HA 0.306 4.647 4.340 0.001 0.000 0.194 420 R C 2.382 178.512 176.300 -0.283 0.000 1.312 420 R CA 1.118 57.104 56.100 -0.189 0.000 1.145 420 R CB -1.281 28.902 30.300 -0.195 0.000 1.050 420 R HN 0.112 nan 8.270 nan 0.000 0.479 421 G N 1.231 109.719 108.800 -0.519 0.000 2.624 421 G HA2 -0.317 3.643 3.960 0.001 0.000 0.221 421 G HA3 -0.317 3.643 3.960 0.001 0.000 0.221 421 G C 1.427 176.063 174.900 -0.440 0.000 1.169 421 G CA 1.777 46.323 45.100 -0.924 0.000 0.771 421 G HN 0.211 nan 8.290 nan 0.000 0.598 422 V N 0.866 120.670 119.914 -0.183 0.000 2.370 422 V HA -0.300 3.821 4.120 0.001 0.000 0.252 422 V C 3.035 179.074 176.094 -0.091 0.000 1.068 422 V CA 2.625 64.903 62.300 -0.038 0.000 1.061 422 V CB -0.507 31.322 31.823 0.010 0.000 0.656 422 V HN 0.318 nan 8.190 nan 0.000 0.455 423 R N -0.521 119.896 120.500 -0.139 0.000 2.062 423 R HA 0.032 4.373 4.340 0.001 0.000 0.229 423 R C 2.169 178.379 176.300 -0.150 0.000 1.128 423 R CA 1.056 57.066 56.100 -0.150 0.000 0.960 423 R CB -0.822 29.369 30.300 -0.182 0.000 0.855 423 R HN 0.384 nan 8.270 nan 0.000 0.432 424 L N 0.406 121.522 121.223 -0.178 0.000 2.043 424 L HA -0.257 4.083 4.340 0.001 0.000 0.212 424 L C 1.714 178.519 176.870 -0.108 0.000 1.075 424 L CA 1.842 56.588 54.840 -0.157 0.000 0.752 424 L CB -0.447 41.489 42.059 -0.205 0.000 0.891 424 L HN 0.362 nan 8.230 nan 0.000 0.432 425 T N -1.848 112.647 114.554 -0.097 0.000 2.821 425 T HA -0.151 4.200 4.350 0.001 0.000 0.267 425 T C 1.610 176.286 174.700 -0.039 0.000 1.046 425 T CA 0.796 62.869 62.100 -0.044 0.000 1.139 425 T CB -0.223 68.645 68.868 -0.001 0.000 0.871 425 T HN 0.262 nan 8.240 nan 0.000 0.454 426 E N 0.930 121.099 120.200 -0.051 0.000 2.455 426 E HA -0.019 4.332 4.350 0.001 0.000 0.202 426 E C 1.931 178.508 176.600 -0.039 0.000 1.045 426 E CA 0.439 56.811 56.400 -0.046 0.000 0.872 426 E CB -0.271 29.393 29.700 -0.060 0.000 0.792 426 E HN 0.512 nan 8.360 nan 0.000 0.542 427 L N -0.673 120.524 121.223 -0.042 0.000 2.145 427 L HA -0.086 4.254 4.340 0.001 0.000 0.201 427 L C 1.867 178.732 176.870 -0.009 0.000 1.075 427 L CA 0.398 55.225 54.840 -0.022 0.000 0.773 427 L CB -0.106 41.935 42.059 -0.031 0.000 0.936 427 L HN 0.123 nan 8.230 nan 0.000 0.451 428 L N -0.429 120.785 121.223 -0.015 0.000 2.552 428 L HA -0.021 4.320 4.340 0.001 0.000 0.227 428 L C 0.936 177.794 176.870 -0.021 0.000 1.146 428 L CA 0.774 55.608 54.840 -0.010 0.000 0.858 428 L CB -0.690 41.365 42.059 -0.006 0.000 0.969 428 L HN -0.030 nan 8.230 nan 0.000 0.451 429 K N 1.769 122.151 120.400 -0.029 0.000 2.419 429 K HA 0.062 4.382 4.320 0.001 0.000 0.282 429 K C 0.019 176.596 176.600 -0.038 0.000 1.056 429 K CA 0.460 56.720 56.287 -0.045 0.000 1.035 429 K CB 0.214 32.689 32.500 -0.042 0.000 0.921 429 K HN 0.186 nan 8.250 nan 0.000 0.472 430 Q N 1.444 121.211 119.800 -0.054 0.000 2.389 430 Q HA 0.363 4.704 4.340 0.001 0.000 0.277 430 Q C -0.257 175.707 176.000 -0.061 0.000 1.082 430 Q CA -0.707 55.072 55.803 -0.040 0.000 0.810 430 Q CB 1.840 30.563 28.738 -0.025 0.000 1.374 430 Q HN 0.758 nan 8.270 nan 0.000 0.422 431 G N 1.122 109.896 108.800 -0.043 0.000 2.631 431 G HA2 0.086 4.046 3.960 0.001 0.000 0.271 431 G HA3 0.086 4.046 3.960 0.001 0.000 0.271 431 G C -0.797 174.057 174.900 -0.076 0.000 1.302 431 G CA -0.080 44.986 45.100 -0.056 0.000 1.002 431 G HN 0.581 nan 8.290 nan 0.000 0.519 432 Q N -1.645 118.089 119.800 -0.110 0.000 2.301 432 Q HA 0.356 4.697 4.340 0.001 0.000 0.267 432 Q C -0.660 175.279 176.000 -0.101 0.000 1.035 432 Q CA -0.943 54.736 55.803 -0.207 0.000 0.856 432 Q CB 1.170 29.664 28.738 -0.406 0.000 1.337 432 Q HN 0.673 nan 8.270 nan 0.000 0.450 433 Y N 0.333 120.634 120.300 0.002 0.000 3.225 433 Y HA -0.254 4.296 4.550 0.001 0.000 0.211 433 Y C -0.379 175.519 175.900 -0.003 0.000 1.223 433 Y CA 0.204 58.303 58.100 -0.001 0.000 1.284 433 Y CB -1.444 37.014 38.460 -0.002 0.000 1.367 433 Y HN 0.381 nan 8.280 nan 0.000 0.566 434 S N -0.688 115.083 115.700 0.119 0.000 2.708 434 S HA 0.253 4.723 4.470 0.001 0.000 0.141 434 S C -2.095 172.529 174.600 0.041 0.000 1.349 434 S CA -0.882 57.358 58.200 0.066 0.000 1.206 434 S CB 0.894 64.123 63.200 0.047 0.000 1.603 434 S HN 0.051 nan 8.310 nan 0.000 0.415 435 P HA 0.189 nan 4.420 nan 0.000 0.273 435 P C -0.383 176.924 177.300 0.012 0.000 1.252 435 P CA 0.076 63.188 63.100 0.021 0.000 0.809 435 P CB 0.423 32.124 31.700 0.002 0.000 1.017 436 M N -0.582 119.025 119.600 0.012 0.000 2.501 436 M HA 0.535 5.015 4.480 0.001 0.000 0.293 436 M C -0.614 175.696 176.300 0.016 0.000 1.192 436 M CA -0.936 54.373 55.300 0.016 0.000 0.886 436 M CB 2.463 35.082 32.600 0.032 0.000 1.710 436 M HN 0.245 nan 8.290 nan 0.000 0.457 437 A N 1.398 124.229 122.820 0.018 0.000 2.388 437 A HA 0.336 4.656 4.320 0.001 0.000 0.257 437 A C 0.878 178.504 177.584 0.070 0.000 1.095 437 A CA -0.382 51.681 52.037 0.044 0.000 0.791 437 A CB 0.130 19.157 19.000 0.044 0.000 1.029 437 A HN 0.991 nan 8.150 nan 0.000 0.489 438 I N 1.314 121.945 120.570 0.103 0.000 2.229 438 I HA -0.324 3.847 4.170 0.001 0.000 0.250 438 I C 2.516 178.674 176.117 0.069 0.000 1.096 438 I CA 2.608 63.960 61.300 0.088 0.000 1.358 438 I CB -0.175 37.883 38.000 0.096 0.000 1.047 438 I HN 0.879 nan 8.210 nan 0.000 0.422 439 E N 0.643 120.881 120.200 0.063 0.000 2.023 439 E HA -0.319 4.032 4.350 0.001 0.000 0.196 439 E C 1.900 178.529 176.600 0.048 0.000 1.003 439 E CA 2.145 58.572 56.400 0.045 0.000 0.809 439 E CB -1.015 28.705 29.700 0.034 0.000 0.755 439 E HN 0.681 nan 8.360 nan 0.000 0.449 440 E N 0.962 121.191 120.200 0.048 0.000 2.110 440 E HA -0.186 4.164 4.350 0.001 0.000 0.193 440 E C 2.377 179.029 176.600 0.087 0.000 0.988 440 E CA 1.309 57.742 56.400 0.056 0.000 0.804 440 E CB -0.139 29.586 29.700 0.042 0.000 0.745 440 E HN 0.395 nan 8.360 nan 0.000 0.458 441 Q N 0.291 120.137 119.800 0.077 0.000 2.061 441 Q HA -0.158 4.182 4.340 0.001 0.000 0.204 441 Q C 2.367 178.428 176.000 0.101 0.000 0.984 441 Q CA 1.513 57.366 55.803 0.083 0.000 0.846 441 Q CB -0.072 28.707 28.738 0.068 0.000 0.902 441 Q HN 0.183 nan 8.270 nan 0.000 0.421 442 V N 0.925 120.896 119.914 0.094 0.000 2.594 442 V HA -0.274 3.846 4.120 0.001 0.000 0.253 442 V C 2.181 178.369 176.094 0.156 0.000 1.069 442 V CA 1.560 63.925 62.300 0.109 0.000 1.082 442 V CB -1.045 30.823 31.823 0.075 0.000 0.680 442 V HN 0.381 nan 8.190 nan 0.000 0.469 443 A N 0.799 123.714 122.820 0.157 0.000 1.845 443 A HA -0.155 4.166 4.320 0.001 0.000 0.215 443 A C 2.373 180.185 177.584 0.381 0.000 1.195 443 A CA 2.449 54.635 52.037 0.247 0.000 0.616 443 A CB -0.774 18.346 19.000 0.200 0.000 0.832 443 A HN 0.429 nan 8.150 nan 0.000 0.443 444 V N -0.308 119.799 119.914 0.321 0.000 2.307 444 V HA -0.218 3.903 4.120 0.001 0.000 0.245 444 V C 2.384 178.559 176.094 0.134 0.000 1.045 444 V CA 1.683 64.127 62.300 0.240 0.000 1.024 444 V CB -1.258 30.681 31.823 0.194 0.000 0.651 444 V HN 0.519 nan 8.190 nan 0.000 0.449 445 I N -0.425 120.220 120.570 0.125 0.000 2.185 445 I HA -0.354 3.816 4.170 0.001 0.000 0.246 445 I C 2.580 178.756 176.117 0.098 0.000 1.088 445 I CA 2.688 64.039 61.300 0.085 0.000 1.347 445 I CB -0.580 37.471 38.000 0.084 0.000 1.041 445 I HN 0.365 nan 8.210 nan 0.000 0.415 446 Y N 1.600 121.928 120.300 0.046 0.000 2.128 446 Y HA -0.318 4.233 4.550 0.001 0.000 0.284 446 Y C 2.577 178.498 175.900 0.036 0.000 1.154 446 Y CA 1.520 59.648 58.100 0.046 0.000 1.149 446 Y CB -0.492 37.998 38.460 0.049 0.000 0.976 446 Y HN 0.146 nan 8.280 nan 0.000 0.505 447 A N 0.279 123.158 122.820 0.099 0.000 1.882 447 A HA -0.324 3.996 4.320 0.001 0.000 0.220 447 A C 2.471 180.021 177.584 -0.056 0.000 1.253 447 A CA 2.665 54.662 52.037 -0.066 0.000 0.664 447 A CB -1.815 17.046 19.000 -0.233 0.000 0.838 447 A HN 0.629 nan 8.150 nan 0.000 0.460 448 G N -1.662 107.078 108.800 -0.100 0.000 2.424 448 G HA2 -0.018 3.943 3.960 0.001 0.000 0.214 448 G HA3 -0.018 3.943 3.960 0.001 0.000 0.214 448 G C 1.598 176.417 174.900 -0.136 0.000 1.202 448 G CA 1.140 46.161 45.100 -0.132 0.000 0.793 448 G HN 0.717 nan 8.290 nan 0.000 0.534 449 V N 0.828 120.666 119.914 -0.127 0.000 2.453 449 V HA -0.101 4.019 4.120 0.001 0.000 0.252 449 V C 2.583 178.575 176.094 -0.171 0.000 1.068 449 V CA 1.836 64.057 62.300 -0.131 0.000 1.070 449 V CB -0.329 31.442 31.823 -0.086 0.000 0.664 449 V HN 0.222 nan 8.190 nan 0.000 0.461 450 R N 0.013 120.371 120.500 -0.237 0.000 2.310 450 R HA 0.258 4.599 4.340 0.001 0.000 0.202 450 R C 1.409 177.508 176.300 -0.335 0.000 0.933 450 R CA 0.719 56.669 56.100 -0.249 0.000 1.054 450 R CB -0.385 29.705 30.300 -0.350 0.000 0.985 450 R HN 0.719 nan 8.270 nan 0.000 0.489 451 G N 0.954 109.585 108.800 -0.282 0.000 2.270 451 G HA2 -0.264 3.696 3.960 0.001 0.000 0.224 451 G HA3 -0.264 3.696 3.960 0.001 0.000 0.224 451 G C -0.133 174.478 174.900 -0.481 0.000 1.079 451 G CA -0.300 44.591 45.100 -0.349 0.000 0.807 451 G HN 0.381 nan 8.290 nan 0.000 0.492 452 Y N -0.913 119.267 120.300 -0.201 0.000 2.555 452 Y HA 0.549 5.100 4.550 0.001 0.000 0.259 452 Y C 2.029 177.783 175.900 -0.242 0.000 1.179 452 Y CA 0.003 58.002 58.100 -0.169 0.000 1.230 452 Y CB 0.570 38.957 38.460 -0.121 0.000 1.146 452 Y HN 0.351 nan 8.280 nan 0.000 0.526 453 L N -1.199 119.913 121.223 -0.184 0.000 3.174 453 L HA 0.158 4.498 4.340 0.001 0.000 0.283 453 L C 0.597 177.323 176.870 -0.239 0.000 1.187 453 L CA 0.105 54.769 54.840 -0.294 0.000 1.018 453 L CB 0.502 42.344 42.059 -0.363 0.000 1.433 453 L HN -0.071 nan 8.230 nan 0.000 0.593 454 D N 1.412 121.690 120.400 -0.204 0.000 2.417 454 D HA -0.128 4.512 4.640 0.001 0.000 0.225 454 D C 0.367 176.578 176.300 -0.149 0.000 0.983 454 D CA 1.163 55.058 54.000 -0.176 0.000 0.949 454 D CB -0.005 40.690 40.800 -0.174 0.000 0.879 454 D HN 0.072 nan 8.370 nan 0.000 0.520 455 K N -0.158 120.150 120.400 -0.154 0.000 3.253 455 K HA 0.354 4.675 4.320 0.001 0.000 0.174 455 K C -1.250 175.267 176.600 -0.138 0.000 1.071 455 K CA -0.222 55.992 56.287 -0.123 0.000 0.836 455 K CB 0.955 33.399 32.500 -0.094 0.000 0.922 455 K HN -0.115 nan 8.250 nan 0.000 0.565 456 L N 0.350 121.472 121.223 -0.168 0.000 2.455 456 L HA 0.336 4.677 4.340 0.001 0.000 0.264 456 L C -0.382 176.395 176.870 -0.154 0.000 0.968 456 L CA -0.607 54.121 54.840 -0.188 0.000 0.827 456 L CB 2.130 44.004 42.059 -0.307 0.000 1.317 456 L HN 0.160 nan 8.230 nan 0.000 0.407 457 E N 3.920 124.049 120.200 -0.118 0.000 2.383 457 E HA 0.018 4.369 4.350 0.001 0.000 0.257 457 E C -1.573 174.968 176.600 -0.098 0.000 1.079 457 E CA -1.279 55.069 56.400 -0.086 0.000 0.934 457 E CB 0.531 30.199 29.700 -0.053 0.000 0.978 457 E HN 0.342 nan 8.360 nan 0.000 0.462 458 P HA -0.271 nan 4.420 nan 0.000 0.218 458 P C 1.305 178.567 177.300 -0.064 0.000 1.150 458 P CA 1.407 64.455 63.100 -0.085 0.000 0.841 458 P CB 0.078 31.743 31.700 -0.059 0.000 0.784 459 S N -1.596 114.078 115.700 -0.044 0.000 2.595 459 S HA -0.062 4.408 4.470 0.001 0.000 0.235 459 S C 1.216 175.804 174.600 -0.020 0.000 0.974 459 S CA 0.811 58.998 58.200 -0.023 0.000 0.942 459 S CB -0.824 62.370 63.200 -0.009 0.000 0.766 459 S HN 0.287 nan 8.310 nan 0.000 0.536 460 K N 0.148 120.520 120.400 -0.046 0.000 2.464 460 K HA 0.431 4.751 4.320 0.001 0.000 0.206 460 K C 1.115 177.686 176.600 -0.049 0.000 1.186 460 K CA -0.097 56.165 56.287 -0.042 0.000 0.990 460 K CB 0.048 32.503 32.500 -0.075 0.000 1.003 460 K HN 0.271 nan 8.250 nan 0.000 0.562 461 I N 2.040 122.555 120.570 -0.091 0.000 3.102 461 I HA -0.188 3.982 4.170 0.001 0.000 0.278 461 I C 1.064 177.188 176.117 0.011 0.000 1.316 461 I CA 1.129 62.363 61.300 -0.109 0.000 1.425 461 I CB -0.459 37.443 38.000 -0.163 0.000 1.073 461 I HN 0.239 nan 8.210 nan 0.000 0.503 462 T N -0.372 114.199 114.554 0.028 0.000 3.071 462 T HA -0.035 4.315 4.350 0.001 0.000 0.239 462 T C 1.930 176.671 174.700 0.069 0.000 0.997 462 T CA 0.261 62.390 62.100 0.049 0.000 1.134 462 T CB 0.281 69.162 68.868 0.022 0.000 0.928 462 T HN 0.235 nan 8.240 nan 0.000 0.453 463 K N 0.356 120.797 120.400 0.068 0.000 2.281 463 K HA -0.092 4.228 4.320 0.001 0.000 0.203 463 K C 1.921 178.571 176.600 0.083 0.000 1.046 463 K CA 0.995 57.331 56.287 0.083 0.000 0.938 463 K CB -0.214 32.349 32.500 0.105 0.000 0.737 463 K HN 0.325 nan 8.250 nan 0.000 0.458 464 F N 1.972 121.859 119.950 -0.105 0.000 2.022 464 F HA -0.169 4.358 4.527 0.001 0.000 0.293 464 F C 2.382 178.113 175.800 -0.116 0.000 1.142 464 F CA 2.070 59.947 58.000 -0.206 0.000 1.177 464 F CB -0.549 38.257 39.000 -0.324 0.000 0.982 464 F HN 0.123 nan 8.300 nan 0.000 0.473 465 E N 0.295 120.572 120.200 0.129 0.000 2.086 465 E HA -0.320 4.030 4.350 0.001 0.000 0.200 465 E C 1.772 178.378 176.600 0.011 0.000 1.012 465 E CA 1.749 58.193 56.400 0.074 0.000 0.812 465 E CB -0.438 29.362 29.700 0.166 0.000 0.743 465 E HN 0.405 nan 8.360 nan 0.000 0.453 466 N N -0.160 118.554 118.700 0.023 0.000 2.513 466 N HA -0.129 4.611 4.740 0.001 0.000 0.187 466 N C 0.937 176.461 175.510 0.023 0.000 1.056 466 N CA 1.064 54.131 53.050 0.029 0.000 0.907 466 N CB 0.037 38.548 38.487 0.040 0.000 0.954 466 N HN 0.350 nan 8.380 nan 0.000 0.445 467 A N -0.284 122.522 122.820 -0.022 0.000 1.983 467 A HA 0.123 4.443 4.320 0.001 0.000 0.207 467 A C 1.703 179.309 177.584 0.037 0.000 1.412 467 A CA -0.205 51.852 52.037 0.034 0.000 0.750 467 A CB -0.849 18.205 19.000 0.090 0.000 1.047 467 A HN 0.207 nan 8.150 nan 0.000 0.504 468 F N 0.099 119.803 119.950 -0.410 0.000 2.529 468 F HA -0.042 4.485 4.527 0.001 0.000 0.297 468 F C 1.328 177.098 175.800 -0.050 0.000 1.114 468 F CA 1.377 59.158 58.000 -0.364 0.000 1.467 468 F CB 0.055 38.425 39.000 -1.049 0.000 1.096 468 F HN 0.180 nan 8.300 nan 0.000 0.586 469 L N -0.438 120.722 121.223 -0.106 0.000 2.575 469 L HA 0.112 4.453 4.340 0.001 0.000 0.228 469 L C 2.197 179.020 176.870 -0.078 0.000 1.075 469 L CA 0.939 55.697 54.840 -0.137 0.000 0.867 469 L CB -0.155 41.919 42.059 0.024 0.000 1.097 469 L HN 0.171 nan 8.230 nan 0.000 0.485 470 S N -2.991 112.702 115.700 -0.012 0.000 2.548 470 S HA -0.086 4.384 4.470 0.001 0.000 0.215 470 S C 1.747 176.356 174.600 0.016 0.000 0.976 470 S CA 0.556 58.757 58.200 0.002 0.000 0.908 470 S CB -0.485 62.729 63.200 0.024 0.000 0.781 470 S HN 0.648 nan 8.310 nan 0.000 0.519 471 H N 1.784 120.815 119.070 -0.065 0.000 2.465 471 H HA 0.247 4.803 4.556 0.001 0.000 0.289 471 H C 1.297 176.557 175.328 -0.113 0.000 1.022 471 H CA 1.262 57.281 56.048 -0.048 0.000 1.340 471 H CB 0.300 30.116 29.762 0.090 0.000 1.437 471 H HN 0.334 nan 8.280 nan 0.000 0.539 472 V N -0.863 118.983 119.914 -0.113 0.000 3.110 472 V HA 0.310 4.430 4.120 0.001 0.000 0.368 472 V C 0.762 176.783 176.094 -0.122 0.000 1.332 472 V CA 0.048 62.261 62.300 -0.145 0.000 1.287 472 V CB -0.544 31.138 31.823 -0.235 0.000 1.277 472 V HN 0.449 nan 8.190 nan 0.000 0.502 473 I N -0.642 119.857 120.570 -0.118 0.000 4.433 473 I HA 0.104 4.274 4.170 0.001 0.000 0.322 473 I C 2.200 178.256 176.117 -0.101 0.000 1.284 473 I CA 0.989 62.239 61.300 -0.083 0.000 1.269 473 I CB 0.847 38.813 38.000 -0.057 0.000 1.219 473 I HN 0.365 nan 8.210 nan 0.000 0.436 474 S N 0.243 115.861 115.700 -0.136 0.000 2.446 474 S HA -0.089 4.381 4.470 0.001 0.000 0.225 474 S C 1.694 176.162 174.600 -0.221 0.000 1.016 474 S CA 1.284 59.394 58.200 -0.151 0.000 0.943 474 S CB 0.224 63.342 63.200 -0.137 0.000 0.786 474 S HN 0.395 nan 8.310 nan 0.000 0.508 475 Q N -0.496 119.108 119.800 -0.326 0.000 2.252 475 Q HA 0.099 4.439 4.340 0.001 0.000 0.195 475 Q C -0.161 175.558 176.000 -0.469 0.000 0.974 475 Q CA 0.532 56.046 55.803 -0.482 0.000 0.846 475 Q CB 0.181 28.476 28.738 -0.739 0.000 0.943 475 Q HN 0.657 nan 8.270 nan 0.000 0.516 476 H N 0.984 119.968 119.070 -0.143 0.000 2.482 476 H HA 0.192 4.748 4.556 0.001 0.000 0.231 476 H C 0.261 175.539 175.328 -0.084 0.000 1.612 476 H CA -0.393 55.596 56.048 -0.099 0.000 1.279 476 H CB 0.857 30.565 29.762 -0.089 0.000 1.562 476 H HN 0.207 nan 8.280 nan 0.000 0.553 477 Q N 1.293 121.094 119.800 0.001 0.000 2.439 477 Q HA -0.096 4.244 4.340 0.001 0.000 0.211 477 Q C 1.987 177.997 176.000 0.017 0.000 0.978 477 Q CA 0.770 56.572 55.803 -0.001 0.000 0.897 477 Q CB 0.074 28.801 28.738 -0.019 0.000 0.956 477 Q HN 0.770 nan 8.270 nan 0.000 0.483 478 A N 1.034 123.881 122.820 0.046 0.000 1.836 478 A HA -0.222 4.099 4.320 0.001 0.000 0.215 478 A C 2.113 179.704 177.584 0.011 0.000 1.214 478 A CA 1.425 53.486 52.037 0.040 0.000 0.636 478 A CB -1.117 17.936 19.000 0.088 0.000 0.847 478 A HN 0.397 nan 8.150 nan 0.000 0.451 479 L N -0.472 120.748 121.223 -0.005 0.000 2.013 479 L HA -0.242 4.098 4.340 0.001 0.000 0.212 479 L C 2.686 179.535 176.870 -0.034 0.000 1.073 479 L CA 1.521 56.330 54.840 -0.053 0.000 0.753 479 L CB -0.393 41.596 42.059 -0.117 0.000 0.890 479 L HN 0.492 nan 8.230 nan 0.000 0.432 480 L N -1.021 120.191 121.223 -0.017 0.000 2.013 480 L HA -0.224 4.116 4.340 0.001 0.000 0.212 480 L C 2.645 179.513 176.870 -0.003 0.000 1.073 480 L CA 1.554 56.388 54.840 -0.009 0.000 0.753 480 L CB -1.568 40.489 42.059 -0.003 0.000 0.890 480 L HN 0.402 nan 8.230 nan 0.000 0.432 481 G N 0.194 108.993 108.800 -0.001 0.000 2.574 481 G HA2 -0.396 3.565 3.960 0.001 0.000 0.220 481 G HA3 -0.396 3.565 3.960 0.001 0.000 0.220 481 G C 1.651 176.549 174.900 -0.004 0.000 1.173 481 G CA 1.546 46.646 45.100 -0.000 0.000 0.772 481 G HN 0.225 nan 8.290 nan 0.000 0.585 482 K N 0.525 120.918 120.400 -0.011 0.000 1.984 482 K HA 0.077 4.397 4.320 0.001 0.000 0.209 482 K C 2.577 179.169 176.600 -0.013 0.000 1.046 482 K CA 1.186 57.464 56.287 -0.014 0.000 0.934 482 K CB -0.494 31.993 32.500 -0.022 0.000 0.717 482 K HN 0.427 nan 8.250 nan 0.000 0.438 483 I N 0.233 120.793 120.570 -0.016 0.000 2.264 483 I HA -0.266 3.905 4.170 0.001 0.000 0.248 483 I C 2.530 178.647 176.117 0.000 0.000 1.111 483 I CA 1.322 62.615 61.300 -0.011 0.000 1.382 483 I CB -0.471 37.520 38.000 -0.016 0.000 1.060 483 I HN 0.196 nan 8.210 nan 0.000 0.418 484 R N 1.009 121.513 120.500 0.006 0.000 2.096 484 R HA -0.133 4.207 4.340 0.001 0.000 0.235 484 R C 2.077 178.380 176.300 0.005 0.000 1.127 484 R CA 2.088 58.199 56.100 0.018 0.000 0.968 484 R CB -0.124 30.192 30.300 0.028 0.000 0.861 484 R HN 0.351 nan 8.270 nan 0.000 0.440 485 T N 0.089 114.641 114.554 -0.003 0.000 2.904 485 T HA 0.012 4.362 4.350 0.001 0.000 0.243 485 T C 0.992 175.682 174.700 -0.016 0.000 1.024 485 T CA 0.886 62.979 62.100 -0.011 0.000 1.158 485 T CB -0.147 68.716 68.868 -0.009 0.000 0.867 485 T HN 0.195 nan 8.240 nan 0.000 0.429 486 D N 1.004 121.396 120.400 -0.013 0.000 2.347 486 D HA 0.153 4.794 4.640 0.001 0.000 0.215 486 D C 1.387 177.680 176.300 -0.012 0.000 0.976 486 D CA 0.603 54.596 54.000 -0.013 0.000 0.884 486 D CB -0.505 40.289 40.800 -0.011 0.000 0.915 486 D HN 0.520 nan 8.370 nan 0.000 0.526 487 G N 1.927 110.721 108.800 -0.010 0.000 2.350 487 G HA2 -0.299 3.661 3.960 0.001 0.000 0.298 487 G HA3 -0.299 3.661 3.960 0.001 0.000 0.298 487 G C 0.077 174.977 174.900 -0.001 0.000 1.037 487 G CA 1.070 46.167 45.100 -0.006 0.000 1.074 487 G HN 0.539 nan 8.290 nan 0.000 0.511 488 K N -1.201 119.198 120.400 -0.001 0.000 2.642 488 K HA 0.629 4.949 4.320 0.001 0.000 0.290 488 K C -1.118 175.479 176.600 -0.005 0.000 1.006 488 K CA -1.379 54.909 56.287 0.002 0.000 0.869 488 K CB 0.941 33.442 32.500 0.002 0.000 1.499 488 K HN 0.148 nan 8.250 nan 0.000 0.403 489 I N 3.519 124.088 120.570 -0.001 0.000 2.442 489 I HA 0.110 4.281 4.170 0.001 0.000 0.279 489 I C 0.018 176.131 176.117 -0.007 0.000 1.081 489 I CA -0.671 60.620 61.300 -0.015 0.000 1.197 489 I CB 1.363 39.352 38.000 -0.019 0.000 1.394 489 I HN 0.784 nan 8.210 nan 0.000 0.488 490 S N 3.330 119.023 115.700 -0.012 0.000 2.584 490 S HA 0.068 4.538 4.470 0.001 0.000 0.270 490 S C 1.200 175.796 174.600 -0.007 0.000 1.346 490 S CA -0.590 57.606 58.200 -0.006 0.000 1.018 490 S CB 0.808 64.003 63.200 -0.009 0.000 0.899 490 S HN 0.662 nan 8.310 nan 0.000 0.542 491 E N 0.622 120.824 120.200 0.003 0.000 2.273 491 E HA -0.253 4.098 4.350 0.001 0.000 0.198 491 E C 1.546 178.144 176.600 -0.005 0.000 1.002 491 E CA 1.297 57.702 56.400 0.008 0.000 0.828 491 E CB -0.238 29.470 29.700 0.015 0.000 0.747 491 E HN 0.847 nan 8.360 nan 0.000 0.491 492 E N 1.210 121.402 120.200 -0.013 0.000 1.997 492 E HA -0.175 4.175 4.350 0.001 0.000 0.201 492 E C 2.203 178.776 176.600 -0.044 0.000 1.011 492 E CA 1.620 58.007 56.400 -0.023 0.000 0.847 492 E CB 0.048 29.736 29.700 -0.021 0.000 0.787 492 E HN 0.127 nan 8.360 nan 0.000 0.472 493 S N 1.166 116.834 115.700 -0.054 0.000 2.378 493 S HA -0.282 4.188 4.470 0.001 0.000 0.229 493 S C 1.680 176.205 174.600 -0.125 0.000 1.052 493 S CA 1.631 59.778 58.200 -0.087 0.000 1.084 493 S CB -0.646 62.508 63.200 -0.077 0.000 0.950 493 S HN 0.396 nan 8.310 nan 0.000 0.440 494 D N 1.535 121.873 120.400 -0.102 0.000 2.116 494 D HA -0.140 4.500 4.640 0.001 0.000 0.193 494 D C 2.078 178.324 176.300 -0.089 0.000 0.998 494 D CA 1.591 55.520 54.000 -0.117 0.000 0.836 494 D CB -0.455 40.339 40.800 -0.010 0.000 0.951 494 D HN 0.350 nan 8.370 nan 0.000 0.449 495 A N 0.910 123.704 122.820 -0.043 0.000 1.865 495 A HA -0.223 4.098 4.320 0.001 0.000 0.217 495 A C 2.263 179.817 177.584 -0.050 0.000 1.191 495 A CA 2.011 54.036 52.037 -0.019 0.000 0.623 495 A CB -0.634 18.360 19.000 -0.009 0.000 0.826 495 A HN 0.253 nan 8.150 nan 0.000 0.444 496 K N -0.637 119.709 120.400 -0.090 0.000 2.001 496 K HA -0.166 4.154 4.320 0.001 0.000 0.214 496 K C 1.992 178.497 176.600 -0.159 0.000 1.050 496 K CA 1.735 57.940 56.287 -0.136 0.000 0.934 496 K CB -0.474 31.912 32.500 -0.189 0.000 0.718 496 K HN 0.487 nan 8.250 nan 0.000 0.443 497 L N 0.992 122.091 121.223 -0.208 0.000 1.991 497 L HA -0.316 4.024 4.340 0.001 0.000 0.221 497 L C 2.553 179.348 176.870 -0.125 0.000 1.079 497 L CA 1.808 56.505 54.840 -0.238 0.000 0.778 497 L CB -0.514 41.211 42.059 -0.555 0.000 0.893 497 L HN 0.290 nan 8.230 nan 0.000 0.437 498 K N -0.427 119.931 120.400 -0.070 0.000 2.366 498 K HA -0.261 4.060 4.320 0.001 0.000 0.202 498 K C 1.870 178.496 176.600 0.043 0.000 1.045 498 K CA 1.745 58.053 56.287 0.037 0.000 0.934 498 K CB 0.062 32.636 32.500 0.124 0.000 0.746 498 K HN 0.402 nan 8.250 nan 0.000 0.470 499 E N -0.266 119.949 120.200 0.025 0.000 2.256 499 E HA 0.016 4.367 4.350 0.001 0.000 0.198 499 E C 1.833 178.490 176.600 0.096 0.000 0.908 499 E CA 0.245 56.684 56.400 0.064 0.000 0.915 499 E CB 0.111 29.844 29.700 0.054 0.000 0.890 499 E HN 0.283 nan 8.360 nan 0.000 0.484 500 I N 2.012 122.627 120.570 0.075 0.000 2.248 500 I HA -0.282 3.889 4.170 0.001 0.000 0.248 500 I C 2.470 178.773 176.117 0.310 0.000 1.107 500 I CA 1.097 62.506 61.300 0.181 0.000 1.373 500 I CB -1.060 37.004 38.000 0.107 0.000 1.055 500 I HN 0.072 nan 8.210 nan 0.000 0.418 501 V N 0.205 120.260 119.914 0.236 0.000 2.245 501 V HA -0.263 3.857 4.120 0.001 0.000 0.233 501 V C 2.579 178.823 176.094 0.250 0.000 1.028 501 V CA 2.388 64.824 62.300 0.226 0.000 0.991 501 V CB -2.020 29.704 31.823 -0.165 0.000 0.640 501 V HN 0.517 nan 8.190 nan 0.000 0.461 502 T N 0.281 114.942 114.554 0.178 0.000 2.731 502 T HA -0.365 3.985 4.350 0.001 0.000 0.259 502 T C 1.319 176.156 174.700 0.229 0.000 1.054 502 T CA 2.251 64.492 62.100 0.235 0.000 1.158 502 T CB -1.406 67.591 68.868 0.214 0.000 0.847 502 T HN 0.541 nan 8.240 nan 0.000 0.470 503 N N 0.610 119.437 118.700 0.211 0.000 2.648 503 N HA 0.228 4.968 4.740 0.001 0.000 0.210 503 N C 0.319 175.947 175.510 0.196 0.000 1.464 503 N CA 0.284 53.439 53.050 0.174 0.000 0.890 503 N CB -0.616 37.962 38.487 0.151 0.000 1.179 503 N HN 0.707 nan 8.380 nan 0.000 0.476 504 F N -1.626 118.410 119.950 0.144 0.000 2.440 504 F HA 0.079 4.606 4.527 0.000 0.000 0.341 504 F C 1.470 177.401 175.800 0.218 0.000 0.812 504 F CA -0.339 57.755 58.000 0.156 0.000 1.031 504 F CB -0.010 39.084 39.000 0.157 0.000 0.993 504 F HN -0.061 nan 8.300 nan 0.000 0.667 505 L N 1.292 122.781 121.223 0.442 0.000 2.056 505 L HA -0.020 4.320 4.340 0.001 0.000 0.207 505 L C 2.212 179.240 176.870 0.265 0.000 1.078 505 L CA 2.371 57.383 54.840 0.288 0.000 0.749 505 L CB -1.112 41.044 42.059 0.162 0.000 0.901 505 L HN 0.226 nan 8.230 nan 0.000 0.433 506 A N -0.625 122.330 122.820 0.224 0.000 2.121 506 A HA 0.026 4.346 4.320 0.001 0.000 0.218 506 A C 1.560 179.253 177.584 0.182 0.000 1.154 506 A CA 0.971 53.111 52.037 0.170 0.000 0.679 506 A CB -0.870 18.208 19.000 0.130 0.000 0.795 506 A HN 0.524 nan 8.150 nan 0.000 0.458 507 G N -2.729 106.216 108.800 0.241 0.000 4.403 507 G HA2 0.482 4.442 3.960 0.001 0.000 0.297 507 G HA3 0.482 4.442 3.960 0.001 0.000 0.297 507 G C -0.167 174.934 174.900 0.334 0.000 1.325 507 G CA -0.024 45.191 45.100 0.192 0.000 1.378 507 G HN 0.354 nan 8.290 nan 0.000 0.595 508 F N -1.134 118.903 119.950 0.144 0.000 1.714 508 F HA 0.071 4.598 4.527 0.000 0.000 0.258 508 F C 1.673 177.536 175.800 0.105 0.000 1.248 508 F CA 0.086 58.180 58.000 0.156 0.000 1.281 508 F CB 0.199 39.347 39.000 0.247 0.000 2.006 508 F HN 0.243 nan 8.300 nan 0.000 0.134 509 E N 1.245 121.695 120.200 0.417 0.000 2.065 509 E HA 0.303 4.654 4.350 0.001 0.000 0.191 509 E C 0.616 177.305 176.600 0.148 0.000 0.960 509 E CA 0.595 57.137 56.400 0.238 0.000 0.824 509 E CB 0.170 29.960 29.700 0.149 0.000 0.793 509 E HN 0.279 nan 8.360 nan 0.000 0.459 510 A N 0.000 122.902 122.820 0.136 0.000 2.254 510 A HA 0.000 4.320 4.320 0.001 0.000 0.244 510 A CA 0.000 52.093 52.037 0.094 0.000 0.836 510 A CB 0.000 19.049 19.000 0.081 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486