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 3gll_1_A DATA FIRST_RESID 2 DATA SEQUENCE LNPIVRKFQY GQHTVTLETG MMARQATAAV MVSMDDTAVF VTVVGQKKAK DATA SEQUENCE PGQDFFPLTV NYQERTYAAG RIPGSFFXXX GRPSEGETLI ARLIDRXIRP DATA SEQUENCE LFPEGFVNEV QVIATVVSVN PQVNPDIVAM IGASAALSLS GIPFNGPIGA DATA SEQUENCE ARVGYINDQY VLNPTQDELK ESKLDLVVAG TEAAVLMVES EAELLSEDQM DATA SEQUENCE LGAVVFGHEQ QQVVIQNINE LVKEAGKPRW DWQPEPVXXX XXXXXXXXXX DATA SEQUENCE XXXXXAYRIT DKQERYAQVD VIKXXXXXXX XXXXXXXXXX XXXXXXHAIE DATA SEQUENCE KNVVRSRVLA GEPRIDGREK DMIRGLDVRT GVLPRTHGSA LFTRGETQAL DATA SEQUENCE VTATLGTARD AQVLDELMGE RTDTFLFHYN FPPYSVGETG MVXXXXRREI DATA SEQUENCE GHGRLAKRGV LAVMPDMDKF PYTVRVVSEI TESNGSSSMA SVCGASLALM DATA SEQUENCE DAGVPIKAAV AGIAMGLVKE GDNYVVLSDI LGXEDHLGDM DFKVAGSRDG DATA SEQUENCE ISALQMDIKI EGITKEIMQV ALNQAKGARL HILGVMEQAI NAPR 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 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.880 176.870 0.016 0.000 1.165 2 L CA 0.000 54.849 54.840 0.014 0.000 0.813 2 L CB 0.000 42.067 42.059 0.013 0.000 0.961 3 N N 2.549 121.261 118.700 0.021 0.000 2.504 3 N HA 0.673 5.390 4.740 -0.039 0.000 0.280 3 N C -2.757 172.769 175.510 0.028 0.000 1.052 3 N CA -1.128 51.935 53.050 0.022 0.000 0.887 3 N CB 2.386 40.885 38.487 0.020 0.000 1.323 3 N HN 0.260 nan 8.380 nan 0.000 0.509 4 P HA 0.362 nan 4.420 nan 0.000 0.296 4 P C -0.876 176.444 177.300 0.035 0.000 1.306 4 P CA -0.455 62.666 63.100 0.035 0.000 0.818 4 P CB 1.137 32.857 31.700 0.034 0.000 0.969 5 I N 3.468 124.061 120.570 0.039 0.000 2.307 5 I HA 0.216 4.362 4.170 -0.039 0.000 0.289 5 I C -0.019 176.124 176.117 0.043 0.000 1.021 5 I CA -0.465 60.857 61.300 0.036 0.000 1.224 5 I CB 1.283 39.302 38.000 0.033 0.000 1.376 5 I HN 0.044 nan 8.210 nan 0.000 0.470 6 V N 7.046 126.985 119.914 0.042 0.000 2.417 6 V HA 0.554 4.651 4.120 -0.039 0.000 0.291 6 V C -0.033 176.094 176.094 0.055 0.000 1.024 6 V CA -0.746 61.584 62.300 0.049 0.000 0.861 6 V CB 1.701 33.550 31.823 0.043 0.000 0.985 6 V HN 0.673 nan 8.190 nan 0.000 0.436 7 R N 4.048 124.593 120.500 0.074 0.000 2.513 7 R HA 0.608 4.924 4.340 -0.039 0.000 0.301 7 R C -0.979 175.410 176.300 0.148 0.000 0.968 7 R CA -0.667 55.491 56.100 0.097 0.000 0.872 7 R CB 1.569 31.921 30.300 0.087 0.000 1.177 7 R HN 0.710 nan 8.270 nan 0.000 0.444 8 K N 4.055 124.543 120.400 0.147 0.000 2.259 8 K HA 0.524 4.821 4.320 -0.039 0.000 0.249 8 K C -1.184 175.568 176.600 0.253 0.000 0.942 8 K CA -0.703 55.667 56.287 0.139 0.000 0.816 8 K CB 1.666 34.200 32.500 0.056 0.000 1.155 8 K HN 0.442 nan 8.250 nan 0.000 0.428 9 F N -1.764 118.205 119.950 0.030 0.000 2.693 9 F HA 0.300 4.803 4.527 -0.039 0.000 0.309 9 F C -1.267 174.572 175.800 0.066 0.000 1.129 9 F CA -1.259 56.761 58.000 0.033 0.000 0.948 9 F CB 1.164 40.170 39.000 0.010 0.000 1.315 9 F HN 0.142 nan 8.300 nan 0.000 0.447 10 Q N 2.307 122.207 119.800 0.167 0.000 2.361 10 Q HA 0.131 4.448 4.340 -0.039 0.000 0.250 10 Q C -1.638 174.503 176.000 0.236 0.000 1.023 10 Q CA -0.231 55.628 55.803 0.093 0.000 0.915 10 Q CB 1.045 29.839 28.738 0.094 0.000 1.238 10 Q HN 0.700 nan 8.270 nan 0.000 0.451 11 Y N 2.703 122.960 120.300 -0.072 0.000 2.594 11 Y HA 0.365 4.892 4.550 -0.039 0.000 0.342 11 Y C 1.059 176.963 175.900 0.006 0.000 1.010 11 Y CA 0.324 58.451 58.100 0.044 0.000 1.270 11 Y CB -0.014 38.457 38.460 0.019 0.000 1.125 11 Y HN 0.898 nan 8.280 nan 0.000 0.513 12 G N 4.599 113.375 108.800 -0.039 0.000 2.601 12 G HA2 -0.345 3.591 3.960 -0.039 0.000 0.306 12 G HA3 -0.345 3.591 3.960 -0.039 0.000 0.306 12 G C 0.880 175.680 174.900 -0.167 0.000 1.172 12 G CA 0.662 45.654 45.100 -0.180 0.000 0.966 12 G HN 0.468 nan 8.290 nan 0.000 0.542 13 Q N 1.033 120.633 119.800 -0.334 0.000 2.402 13 Q HA 0.170 4.487 4.340 -0.039 0.000 0.206 13 Q C 0.964 176.771 176.000 -0.322 0.000 0.919 13 Q CA 0.929 56.504 55.803 -0.380 0.000 0.923 13 Q CB 0.266 28.671 28.738 -0.555 0.000 1.048 13 Q HN 0.777 nan 8.270 nan 0.000 0.515 14 H N -0.461 118.576 119.070 -0.054 0.000 2.713 14 H HA 0.468 5.001 4.556 -0.039 0.000 0.340 14 H C -0.328 174.959 175.328 -0.068 0.000 1.271 14 H CA -0.392 55.625 56.048 -0.052 0.000 1.306 14 H CB 1.066 30.794 29.762 -0.056 0.000 1.839 14 H HN -0.219 nan 8.280 nan 0.000 0.627 15 T N 1.574 116.173 114.554 0.074 0.000 2.792 15 T HA 0.344 4.670 4.350 -0.039 0.000 0.280 15 T C -0.110 174.500 174.700 -0.149 0.000 0.990 15 T CA -0.668 61.395 62.100 -0.062 0.000 0.960 15 T CB 1.093 69.940 68.868 -0.034 0.000 0.939 15 T HN 0.163 nan 8.240 nan 0.000 0.439 16 V N 3.975 123.650 119.914 -0.397 0.000 2.370 16 V HA 0.418 4.514 4.120 -0.039 0.000 0.279 16 V C 0.382 176.278 176.094 -0.331 0.000 1.029 16 V CA -0.631 61.401 62.300 -0.446 0.000 0.870 16 V CB 1.400 32.767 31.823 -0.759 0.000 0.984 16 V HN 0.972 nan 8.190 nan 0.000 0.451 17 T N 6.876 121.365 114.554 -0.109 0.000 2.767 17 T HA 0.629 4.955 4.350 -0.039 0.000 0.284 17 T C -0.323 174.409 174.700 0.054 0.000 0.973 17 T CA -0.275 61.821 62.100 -0.006 0.000 0.996 17 T CB 0.821 69.693 68.868 0.007 0.000 0.927 17 T HN 0.356 nan 8.240 nan 0.000 0.456 18 L N 3.409 124.694 121.223 0.104 0.000 2.298 18 L HA 0.530 4.847 4.340 -0.039 0.000 0.284 18 L C 0.253 177.173 176.870 0.083 0.000 1.013 18 L CA -0.476 54.428 54.840 0.107 0.000 0.824 18 L CB 1.256 43.399 42.059 0.141 0.000 1.221 18 L HN 0.610 nan 8.230 nan 0.000 0.418 19 E N 2.355 122.602 120.200 0.079 0.000 2.224 19 E HA 0.597 4.924 4.350 -0.039 0.000 0.265 19 E C -1.276 175.377 176.600 0.087 0.000 0.878 19 E CA -0.323 56.125 56.400 0.080 0.000 0.759 19 E CB 2.267 32.018 29.700 0.085 0.000 1.164 19 E HN 0.461 nan 8.360 nan 0.000 0.414 20 T N 1.577 116.176 114.554 0.074 0.000 2.853 20 T HA 0.582 4.908 4.350 -0.039 0.000 0.311 20 T C 0.235 174.974 174.700 0.066 0.000 1.307 20 T CA 0.513 62.656 62.100 0.072 0.000 1.019 20 T CB 1.304 70.198 68.868 0.043 0.000 1.264 20 T HN 0.768 nan 8.240 nan 0.000 0.497 21 G N 1.943 110.785 108.800 0.070 0.000 2.176 21 G HA2 -0.213 3.724 3.960 -0.039 0.000 0.232 21 G HA3 -0.213 3.724 3.960 -0.039 0.000 0.232 21 G C 0.587 175.523 174.900 0.060 0.000 0.986 21 G CA 0.792 45.927 45.100 0.058 0.000 0.643 21 G HN 0.796 nan 8.290 nan 0.000 0.522 22 M N -0.734 118.911 119.600 0.074 0.000 2.925 22 M HA 0.595 5.052 4.480 -0.039 0.000 0.249 22 M C 0.876 177.216 176.300 0.067 0.000 1.439 22 M CA 0.506 55.841 55.300 0.059 0.000 1.217 22 M CB 0.497 33.125 32.600 0.046 0.000 1.245 22 M HN 0.172 nan 8.290 nan 0.000 0.552 23 M N 1.091 120.761 119.600 0.116 0.000 2.404 23 M HA 0.470 4.927 4.480 -0.039 0.000 0.338 23 M C 0.218 176.674 176.300 0.260 0.000 1.150 23 M CA -0.423 54.956 55.300 0.130 0.000 1.016 23 M CB 1.664 34.279 32.600 0.026 0.000 1.672 23 M HN 0.322 nan 8.290 nan 0.000 0.448 24 A N 2.184 125.128 122.820 0.207 0.000 2.136 24 A HA -0.206 4.091 4.320 -0.039 0.000 0.274 24 A C 0.765 178.431 177.584 0.137 0.000 1.388 24 A CA 0.814 52.975 52.037 0.207 0.000 0.741 24 A CB -1.160 18.049 19.000 0.348 0.000 1.173 24 A HN 1.024 nan 8.150 nan 0.000 0.329 25 R N -0.297 120.260 120.500 0.095 0.000 2.200 25 R HA -0.030 4.287 4.340 -0.039 0.000 0.208 25 R C 2.086 178.424 176.300 0.063 0.000 1.033 25 R CA 1.321 57.464 56.100 0.072 0.000 1.000 25 R CB -0.029 30.306 30.300 0.058 0.000 0.906 25 R HN 0.862 nan 8.270 nan 0.000 0.462 26 Q N 0.454 120.291 119.800 0.062 0.000 2.297 26 Q HA 0.069 4.385 4.340 -0.039 0.000 0.204 26 Q C 0.514 176.549 176.000 0.058 0.000 0.962 26 Q CA 0.558 56.394 55.803 0.054 0.000 0.879 26 Q CB 0.189 28.955 28.738 0.047 0.000 0.947 26 Q HN 0.229 nan 8.270 nan 0.000 0.462 27 A N 0.441 123.297 122.820 0.061 0.000 2.366 27 A HA 0.110 4.407 4.320 -0.039 0.000 0.249 27 A C 1.184 178.804 177.584 0.059 0.000 1.084 27 A CA -0.143 51.926 52.037 0.053 0.000 0.794 27 A CB 0.406 19.427 19.000 0.034 0.000 1.034 27 A HN 0.182 nan 8.150 nan 0.000 0.491 28 T N 0.574 115.169 114.554 0.069 0.000 2.720 28 T HA 0.212 4.539 4.350 -0.039 0.000 0.268 28 T C 0.760 175.492 174.700 0.053 0.000 1.037 28 T CA 1.805 63.963 62.100 0.097 0.000 1.144 28 T CB -0.277 68.667 68.868 0.126 0.000 0.864 28 T HN 1.498 nan 8.240 nan 0.000 0.444 29 A N -0.200 122.622 122.820 0.004 0.000 2.566 29 A HA 0.765 5.062 4.320 -0.039 0.000 0.297 29 A C -1.506 176.032 177.584 -0.076 0.000 1.059 29 A CA -0.469 51.553 52.037 -0.025 0.000 0.691 29 A CB 1.265 20.238 19.000 -0.044 0.000 1.282 29 A HN 0.492 nan 8.150 nan 0.000 0.401 30 A N 1.213 123.985 122.820 -0.079 0.000 2.381 30 A HA 0.726 5.022 4.320 -0.039 0.000 0.299 30 A C -1.114 176.375 177.584 -0.158 0.000 1.049 30 A CA -0.465 51.451 52.037 -0.202 0.000 0.715 30 A CB 1.306 20.236 19.000 -0.116 0.000 1.222 30 A HN 1.606 nan 8.150 nan 0.000 0.428 31 V N 2.449 122.202 119.914 -0.269 0.000 2.540 31 V HA 0.555 4.652 4.120 -0.039 0.000 0.302 31 V C -0.260 175.805 176.094 -0.048 0.000 1.035 31 V CA -0.435 61.806 62.300 -0.098 0.000 0.873 31 V CB 1.669 33.451 31.823 -0.069 0.000 0.992 31 V HN 0.977 nan 8.190 nan 0.000 0.428 32 M N 6.118 125.806 119.600 0.148 0.000 2.111 32 M HA 0.527 4.984 4.480 -0.039 0.000 0.351 32 M C -1.156 175.223 176.300 0.130 0.000 1.214 32 M CA 0.098 55.546 55.300 0.246 0.000 1.120 32 M CB 0.823 33.594 32.600 0.284 0.000 1.443 32 M HN 0.434 nan 8.290 nan 0.000 0.429 33 V N 4.298 124.275 119.914 0.105 0.000 2.370 33 V HA 0.569 4.665 4.120 -0.039 0.000 0.283 33 V C -0.376 175.756 176.094 0.063 0.000 1.023 33 V CA -0.483 61.861 62.300 0.073 0.000 0.857 33 V CB 1.439 33.299 31.823 0.061 0.000 0.985 33 V HN 0.877 nan 8.190 nan 0.000 0.443 34 S N 6.080 121.803 115.700 0.038 0.000 2.519 34 S HA 0.617 5.064 4.470 -0.039 0.000 0.309 34 S C -0.432 174.156 174.600 -0.018 0.000 1.100 34 S CA -0.502 57.708 58.200 0.017 0.000 1.059 34 S CB 1.468 64.679 63.200 0.018 0.000 1.008 34 S HN 0.770 nan 8.310 nan 0.000 0.478 35 M N 3.469 123.051 119.600 -0.030 0.000 2.006 35 M HA 0.237 4.693 4.480 -0.039 0.000 0.314 35 M C -1.232 174.992 176.300 -0.127 0.000 0.926 35 M CA -0.140 55.119 55.300 -0.067 0.000 0.906 35 M CB 0.073 32.647 32.600 -0.043 0.000 1.422 35 M HN 0.587 nan 8.290 nan 0.000 0.397 36 D N 3.703 124.042 120.400 -0.101 0.000 2.803 36 D HA -0.190 4.427 4.640 -0.039 0.000 0.233 36 D C -0.087 176.164 176.300 -0.083 0.000 1.182 36 D CA 1.788 55.727 54.000 -0.102 0.000 0.726 36 D CB -0.667 40.012 40.800 -0.201 0.000 0.987 36 D HN 0.913 nan 8.370 nan 0.000 0.412 37 D N -2.604 117.770 120.400 -0.043 0.000 2.748 37 D HA -0.153 4.464 4.640 -0.039 0.000 0.189 37 D C -0.152 176.138 176.300 -0.017 0.000 0.982 37 D CA 1.658 55.645 54.000 -0.022 0.000 1.017 37 D CB -1.275 39.513 40.800 -0.020 0.000 1.076 37 D HN 0.422 nan 8.370 nan 0.000 0.446 38 T N 0.766 115.301 114.554 -0.032 0.000 2.794 38 T HA 0.643 4.970 4.350 -0.039 0.000 0.304 38 T C 0.191 174.899 174.700 0.013 0.000 0.973 38 T CA 0.181 62.274 62.100 -0.012 0.000 0.972 38 T CB 1.279 70.130 68.868 -0.027 0.000 0.952 38 T HN 0.312 nan 8.240 nan 0.000 0.509 39 A N 3.574 126.413 122.820 0.032 0.000 2.287 39 A HA 0.722 5.018 4.320 -0.039 0.000 0.317 39 A C -0.414 177.218 177.584 0.080 0.000 1.220 39 A CA -0.653 51.419 52.037 0.058 0.000 0.835 39 A CB 0.877 19.913 19.000 0.061 0.000 1.180 39 A HN 0.632 nan 8.150 nan 0.000 0.500 40 V N 3.084 123.059 119.914 0.101 0.000 2.407 40 V HA 0.318 4.415 4.120 -0.039 0.000 0.291 40 V C -0.856 175.336 176.094 0.164 0.000 1.018 40 V CA -0.370 62.001 62.300 0.118 0.000 0.842 40 V CB 1.188 33.080 31.823 0.115 0.000 0.996 40 V HN 0.799 nan 8.190 nan 0.000 0.426 41 F N 6.302 126.263 119.950 0.019 0.000 2.413 41 F HA 0.580 5.084 4.527 -0.039 0.000 0.359 41 F C -0.064 175.746 175.800 0.018 0.000 1.122 41 F CA -0.307 57.705 58.000 0.020 0.000 1.160 41 F CB 0.921 39.934 39.000 0.021 0.000 1.146 41 F HN 0.272 nan 8.300 nan 0.000 0.514 42 V N 5.299 124.954 119.914 -0.431 0.000 2.417 42 V HA 0.503 4.599 4.120 -0.039 0.000 0.291 42 V C -0.062 175.731 176.094 -0.502 0.000 1.024 42 V CA -0.602 61.496 62.300 -0.336 0.000 0.861 42 V CB 1.618 33.349 31.823 -0.155 0.000 0.985 42 V HN 0.833 nan 8.190 nan 0.000 0.436 43 T N 1.518 115.861 114.554 -0.352 0.000 2.932 43 T HA 0.823 5.149 4.350 -0.039 0.000 0.289 43 T C -0.844 173.768 174.700 -0.145 0.000 1.039 43 T CA -0.935 61.002 62.100 -0.270 0.000 1.024 43 T CB 2.110 70.864 68.868 -0.191 0.000 1.090 43 T HN 0.582 nan 8.240 nan 0.000 0.496 44 V N 1.395 121.244 119.914 -0.109 0.000 2.733 44 V HA 0.688 4.784 4.120 -0.039 0.000 0.306 44 V C -1.581 174.494 176.094 -0.032 0.000 1.084 44 V CA -0.593 61.662 62.300 -0.075 0.000 0.905 44 V CB 1.952 33.712 31.823 -0.104 0.000 1.010 44 V HN 0.984 nan 8.190 nan 0.000 0.424 45 V N 5.623 125.530 119.914 -0.012 0.000 2.525 45 V HA 0.812 4.908 4.120 -0.039 0.000 0.299 45 V C 0.432 176.552 176.094 0.043 0.000 1.034 45 V CA -0.000 62.317 62.300 0.029 0.000 0.863 45 V CB 1.697 33.538 31.823 0.029 0.000 0.999 45 V HN 1.054 nan 8.190 nan 0.000 0.423 46 G N 3.238 112.104 108.800 0.110 0.000 2.557 46 G HA2 0.554 4.490 3.960 -0.039 0.000 0.310 46 G HA3 0.554 4.490 3.960 -0.039 0.000 0.310 46 G C -0.704 174.407 174.900 0.351 0.000 1.328 46 G CA -0.486 44.712 45.100 0.163 0.000 0.945 46 G HN 0.616 nan 8.290 nan 0.000 0.494 47 Q N 1.355 121.295 119.800 0.232 0.000 2.364 47 Q HA 0.107 4.424 4.340 -0.039 0.000 0.267 47 Q C 0.853 177.026 176.000 0.288 0.000 0.999 47 Q CA -0.369 55.551 55.803 0.196 0.000 0.886 47 Q CB 1.576 30.357 28.738 0.071 0.000 1.243 47 Q HN 0.412 nan 8.270 nan 0.000 0.415 48 K N 1.467 121.944 120.400 0.128 0.000 2.025 48 K HA -0.069 4.228 4.320 -0.039 0.000 0.207 48 K C 0.776 177.396 176.600 0.033 0.000 1.049 48 K CA 1.255 57.520 56.287 -0.036 0.000 0.933 48 K CB -0.208 32.211 32.500 -0.135 0.000 0.714 48 K HN 0.526 nan 8.250 nan 0.000 0.438 49 K N 1.352 121.772 120.400 0.034 0.000 2.235 49 K HA 0.607 4.904 4.320 -0.039 0.000 0.266 49 K C -0.502 176.113 176.600 0.024 0.000 0.980 49 K CA -0.180 56.128 56.287 0.036 0.000 0.849 49 K CB 1.322 33.830 32.500 0.012 0.000 1.098 49 K HN 0.247 nan 8.250 nan 0.000 0.445 50 A N 1.297 124.131 122.820 0.024 0.000 2.322 50 A HA 0.662 4.959 4.320 -0.039 0.000 0.269 50 A C 0.790 178.355 177.584 -0.032 0.000 1.094 50 A CA 0.037 52.057 52.037 -0.028 0.000 0.807 50 A CB -0.062 18.914 19.000 -0.041 0.000 1.047 50 A HN 1.418 nan 8.150 nan 0.000 0.487 51 K N 2.512 122.873 120.400 -0.065 0.000 2.436 51 K HA 0.427 4.723 4.320 -0.039 0.000 0.282 51 K C -2.579 173.994 176.600 -0.046 0.000 1.044 51 K CA -1.156 55.096 56.287 -0.058 0.000 1.028 51 K CB -1.086 31.363 32.500 -0.084 0.000 0.919 51 K HN 0.605 nan 8.250 nan 0.000 0.474 52 P HA 0.169 nan 4.420 nan 0.000 0.257 52 P C 0.776 178.066 177.300 -0.017 0.000 1.189 52 P CA 1.569 64.661 63.100 -0.013 0.000 0.780 52 P CB 0.440 32.135 31.700 -0.007 0.000 0.772 53 G N 2.017 110.809 108.800 -0.012 0.000 2.165 53 G HA2 -0.239 3.697 3.960 -0.039 0.000 0.226 53 G HA3 -0.239 3.697 3.960 -0.039 0.000 0.226 53 G C 0.013 174.896 174.900 -0.029 0.000 1.035 53 G CA -0.481 44.613 45.100 -0.010 0.000 0.744 53 G HN 0.620 nan 8.290 nan 0.000 0.501 54 Q N 1.054 120.817 119.800 -0.061 0.000 2.296 54 Q HA 0.432 4.748 4.340 -0.039 0.000 0.262 54 Q C 1.516 177.458 176.000 -0.097 0.000 0.981 54 Q CA 0.462 56.185 55.803 -0.133 0.000 0.905 54 Q CB 0.720 29.330 28.738 -0.213 0.000 1.186 54 Q HN 0.474 nan 8.270 nan 0.000 0.399 55 D N 3.734 124.094 120.400 -0.066 0.000 2.305 55 D HA -0.008 4.608 4.640 -0.039 0.000 0.206 55 D C 0.192 176.585 176.300 0.154 0.000 0.974 55 D CA 0.334 54.375 54.000 0.068 0.000 0.871 55 D CB -0.138 40.748 40.800 0.142 0.000 0.947 55 D HN 0.420 nan 8.370 nan 0.000 0.516 56 F N -1.238 118.725 119.950 0.021 0.000 2.620 56 F HA 0.583 5.087 4.527 -0.039 0.000 0.320 56 F C -1.078 174.752 175.800 0.051 0.000 1.069 56 F CA -2.209 55.815 58.000 0.041 0.000 0.953 56 F CB 1.039 40.050 39.000 0.017 0.000 1.322 56 F HN -0.254 nan 8.300 nan 0.000 0.479 57 F N 4.259 124.272 119.950 0.105 0.000 2.438 57 F HA 0.591 5.095 4.527 -0.039 0.000 0.360 57 F C -2.593 173.221 175.800 0.023 0.000 1.118 57 F CA -3.389 54.570 58.000 -0.068 0.000 1.164 57 F CB 0.541 39.508 39.000 -0.055 0.000 1.131 57 F HN 0.235 nan 8.300 nan 0.000 0.527 58 P HA 0.303 nan 4.420 nan 0.000 0.291 58 P C -1.414 175.367 177.300 -0.865 0.000 1.340 58 P CA -0.306 62.480 63.100 -0.524 0.000 0.799 58 P CB 1.403 32.860 31.700 -0.405 0.000 0.917 59 L N 3.770 124.585 121.223 -0.680 0.000 2.381 59 L HA 0.621 4.937 4.340 -0.039 0.000 0.274 59 L C -0.810 175.923 176.870 -0.227 0.000 0.988 59 L CA 0.063 54.579 54.840 -0.540 0.000 0.824 59 L CB 2.050 43.799 42.059 -0.516 0.000 1.263 59 L HN 0.219 nan 8.230 nan 0.000 0.410 60 T N 4.308 118.766 114.554 -0.161 0.000 2.840 60 T HA 0.583 4.909 4.350 -0.039 0.000 0.287 60 T C -0.911 173.761 174.700 -0.046 0.000 0.991 60 T CA -0.444 61.606 62.100 -0.083 0.000 0.964 60 T CB 1.567 70.392 68.868 -0.072 0.000 0.954 60 T HN 0.295 nan 8.240 nan 0.000 0.438 61 V N 4.232 124.137 119.914 -0.016 0.000 2.357 61 V HA 0.415 4.512 4.120 -0.039 0.000 0.284 61 V C -0.270 175.842 176.094 0.031 0.000 1.018 61 V CA -0.925 61.382 62.300 0.011 0.000 0.841 61 V CB 1.107 32.944 31.823 0.024 0.000 0.991 61 V HN 0.843 nan 8.190 nan 0.000 0.437 62 N N 3.881 122.604 118.700 0.038 0.000 2.476 62 N HA 0.426 5.143 4.740 -0.039 0.000 0.257 62 N C -1.328 174.241 175.510 0.099 0.000 0.970 62 N CA -0.505 52.577 53.050 0.052 0.000 0.938 62 N CB 1.395 39.892 38.487 0.016 0.000 1.144 62 N HN 0.735 nan 8.380 nan 0.000 0.500 63 Y N 2.902 123.196 120.300 -0.010 0.000 2.331 63 Y HA 0.279 4.805 4.550 -0.040 0.000 0.338 63 Y C -0.835 175.063 175.900 -0.003 0.000 0.976 63 Y CA -0.645 57.452 58.100 -0.005 0.000 1.137 63 Y CB 0.762 39.220 38.460 -0.003 0.000 1.172 63 Y HN 0.435 nan 8.280 nan 0.000 0.478 64 Q N 4.089 123.581 119.800 -0.512 0.000 2.347 64 Q HA 0.496 4.813 4.340 -0.039 0.000 0.271 64 Q C -1.659 174.027 176.000 -0.522 0.000 1.064 64 Q CA -1.048 54.521 55.803 -0.390 0.000 0.800 64 Q CB 2.619 31.249 28.738 -0.180 0.000 1.304 64 Q HN 0.665 nan 8.270 nan 0.000 0.438 65 E N 2.253 122.237 120.200 -0.361 0.000 2.092 65 E HA 0.305 4.632 4.350 -0.039 0.000 0.271 65 E C -0.775 175.687 176.600 -0.231 0.000 0.919 65 E CA -0.851 55.377 56.400 -0.286 0.000 0.760 65 E CB 1.235 30.841 29.700 -0.156 0.000 1.106 65 E HN 0.239 nan 8.360 nan 0.000 0.408 66 R N 1.601 121.904 120.500 -0.328 0.000 2.308 66 R HA 0.075 4.391 4.340 -0.039 0.000 0.305 66 R C 1.217 177.234 176.300 -0.472 0.000 1.053 66 R CA -0.021 55.781 56.100 -0.496 0.000 0.957 66 R CB 0.869 30.584 30.300 -0.974 0.000 1.022 66 R HN 0.666 nan 8.270 nan 0.000 0.461 67 T N -0.872 113.505 114.554 -0.294 0.000 3.055 67 T HA -0.126 4.200 4.350 -0.039 0.000 0.265 67 T C 1.676 176.326 174.700 -0.085 0.000 1.111 67 T CA 0.852 62.873 62.100 -0.131 0.000 1.118 67 T CB -0.326 68.530 68.868 -0.020 0.000 0.909 67 T HN 0.731 nan 8.240 nan 0.000 0.501 68 Y N 0.675 120.979 120.300 0.006 0.000 2.571 68 Y HA 0.527 5.053 4.550 -0.040 0.000 0.294 68 Y C 2.466 178.366 175.900 -0.001 0.000 1.141 68 Y CA -0.217 57.884 58.100 0.002 0.000 1.308 68 Y CB -0.761 37.697 38.460 -0.004 0.000 1.002 68 Y HN 0.250 nan 8.280 nan 0.000 0.551 69 A N 1.465 124.231 122.820 -0.090 0.000 1.969 69 A HA 0.047 4.344 4.320 -0.039 0.000 0.218 69 A C 2.261 179.860 177.584 0.024 0.000 1.169 69 A CA 1.407 53.437 52.037 -0.012 0.000 0.635 69 A CB -0.997 17.929 19.000 -0.123 0.000 0.810 69 A HN 0.627 nan 8.150 nan 0.000 0.445 70 A N -1.644 121.181 122.820 0.008 0.000 2.275 70 A HA 0.445 4.742 4.320 -0.039 0.000 0.212 70 A C 1.509 179.115 177.584 0.036 0.000 1.201 70 A CA 0.961 53.009 52.037 0.019 0.000 0.843 70 A CB -0.904 18.101 19.000 0.008 0.000 0.873 70 A HN 1.885 nan 8.150 nan 0.000 0.492 71 G N -0.171 108.666 108.800 0.062 0.000 2.256 71 G HA2 -0.219 3.718 3.960 -0.039 0.000 0.272 71 G HA3 -0.219 3.718 3.960 -0.039 0.000 0.272 71 G C -0.077 174.857 174.900 0.056 0.000 1.076 71 G CA 0.283 45.421 45.100 0.065 0.000 0.882 71 G HN 0.652 nan 8.290 nan 0.000 0.497 72 R N -1.250 119.290 120.500 0.065 0.000 2.725 72 R HA 0.638 4.955 4.340 -0.039 0.000 0.277 72 R C -0.234 176.108 176.300 0.071 0.000 0.987 72 R CA -1.054 55.078 56.100 0.053 0.000 0.901 72 R CB 1.721 32.043 30.300 0.037 0.000 1.207 72 R HN 0.183 nan 8.270 nan 0.000 0.463 73 I N 3.303 123.909 120.570 0.060 0.000 2.365 73 I HA 0.236 4.382 4.170 -0.039 0.000 0.291 73 I C -1.790 174.366 176.117 0.065 0.000 1.004 73 I CA -1.924 59.417 61.300 0.068 0.000 1.311 73 I CB 1.185 39.216 38.000 0.052 0.000 1.401 73 I HN 0.278 nan 8.210 nan 0.000 0.491 74 P HA 0.098 nan 4.420 nan 0.000 0.266 74 P C 0.021 177.371 177.300 0.084 0.000 1.193 74 P CA -0.150 63.000 63.100 0.084 0.000 0.770 74 P CB 0.451 32.208 31.700 0.095 0.000 0.836 75 G N -0.061 108.797 108.800 0.097 0.000 2.511 75 G HA2 0.229 4.165 3.960 -0.039 0.000 0.316 75 G HA3 0.229 4.165 3.960 -0.039 0.000 0.316 75 G C 1.019 176.006 174.900 0.145 0.000 1.210 75 G CA -0.348 44.803 45.100 0.085 0.000 0.969 75 G HN 0.437 nan 8.290 nan 0.000 0.492 76 S N -1.188 114.580 115.700 0.114 0.000 2.481 76 S HA -0.064 4.383 4.470 -0.039 0.000 0.253 76 S C 0.285 175.192 174.600 0.512 0.000 0.998 76 S CA 0.953 59.276 58.200 0.204 0.000 0.972 76 S CB -0.501 62.759 63.200 0.099 0.000 0.751 76 S HN 0.272 nan 8.310 nan 0.000 0.515 77 F N 0.547 120.551 119.950 0.090 0.000 2.538 77 F HA 0.551 5.076 4.527 -0.003 0.000 0.325 77 F C 0.426 176.391 175.800 0.276 0.000 1.066 77 F CA -2.618 55.473 58.000 0.150 0.000 0.946 77 F CB 0.365 39.345 39.000 -0.034 0.000 1.199 77 F HN -0.101 nan 8.300 nan 0.000 0.473 83 R N 2.182 122.533 120.500 -0.249 0.000 2.491 83 R HA 0.673 4.990 4.340 -0.039 0.000 0.283 83 R C -1.685 174.523 176.300 -0.153 0.000 1.072 83 R CA -0.679 55.321 56.100 -0.168 0.000 1.048 83 R CB -1.112 29.106 30.300 -0.137 0.000 0.983 83 R HN 0.465 nan 8.270 nan 0.000 0.450 84 P HA 0.138 nan 4.420 nan 0.000 0.272 84 P C -0.203 177.130 177.300 0.055 0.000 1.223 84 P CA -0.167 62.932 63.100 -0.003 0.000 0.784 84 P CB 1.020 32.734 31.700 0.023 0.000 0.923 85 S N 0.679 116.443 115.700 0.107 0.000 2.641 85 S HA 0.106 4.553 4.470 -0.039 0.000 0.261 85 S C 1.190 175.862 174.600 0.121 0.000 1.257 85 S CA -0.526 57.769 58.200 0.157 0.000 0.983 85 S CB 0.535 63.842 63.200 0.180 0.000 0.990 85 S HN 0.444 nan 8.310 nan 0.000 0.572 86 E N 0.813 121.084 120.200 0.118 0.000 2.072 86 E HA -0.059 4.268 4.350 -0.039 0.000 0.191 86 E C 2.119 178.765 176.600 0.078 0.000 0.985 86 E CA 1.430 57.887 56.400 0.094 0.000 0.801 86 E CB -1.026 28.731 29.700 0.095 0.000 0.750 86 E HN 0.868 nan 8.360 nan 0.000 0.452 87 G N 1.123 109.976 108.800 0.088 0.000 2.421 87 G HA2 -0.218 3.719 3.960 -0.039 0.000 0.217 87 G HA3 -0.218 3.719 3.960 -0.039 0.000 0.217 87 G C 1.424 176.386 174.900 0.103 0.000 1.143 87 G CA 0.252 45.400 45.100 0.079 0.000 0.784 87 G HN 0.231 nan 8.290 nan 0.000 0.541 88 E N 0.065 120.364 120.200 0.165 0.000 2.150 88 E HA -0.071 4.256 4.350 -0.039 0.000 0.193 88 E C 2.652 179.369 176.600 0.195 0.000 0.985 88 E CA 1.310 57.885 56.400 0.291 0.000 0.814 88 E CB -0.034 29.806 29.700 0.234 0.000 0.752 88 E HN 0.349 nan 8.360 nan 0.000 0.466 89 T N 1.196 115.811 114.554 0.101 0.000 2.904 89 T HA -0.048 4.278 4.350 -0.039 0.000 0.267 89 T C 1.929 176.629 174.700 0.001 0.000 1.059 89 T CA 0.579 62.709 62.100 0.051 0.000 1.137 89 T CB -0.046 68.845 68.868 0.039 0.000 0.879 89 T HN 0.071 nan 8.240 nan 0.000 0.467 90 L N 0.127 121.342 121.223 -0.014 0.000 2.093 90 L HA 0.071 4.388 4.340 -0.039 0.000 0.208 90 L C 2.305 179.111 176.870 -0.107 0.000 1.085 90 L CA 1.065 55.871 54.840 -0.057 0.000 0.755 90 L CB -0.429 41.603 42.059 -0.044 0.000 0.904 90 L HN 0.249 nan 8.230 nan 0.000 0.435 91 I N -0.488 119.977 120.570 -0.174 0.000 2.500 91 I HA -0.171 3.976 4.170 -0.039 0.000 0.252 91 I C 2.680 178.606 176.117 -0.318 0.000 1.142 91 I CA 0.853 61.932 61.300 -0.368 0.000 1.451 91 I CB -0.364 37.147 38.000 -0.815 0.000 1.093 91 I HN 0.141 nan 8.210 nan 0.000 0.430 92 A N 0.687 123.411 122.820 -0.161 0.000 2.019 92 A HA -0.213 4.084 4.320 -0.039 0.000 0.219 92 A C 2.316 179.877 177.584 -0.038 0.000 1.164 92 A CA 1.540 53.559 52.037 -0.029 0.000 0.644 92 A CB -0.432 18.607 19.000 0.065 0.000 0.805 92 A HN 0.259 nan 8.150 nan 0.000 0.449 93 R N -0.202 120.262 120.500 -0.059 0.000 2.093 93 R HA 0.132 4.449 4.340 -0.039 0.000 0.224 93 R C 1.784 178.051 176.300 -0.056 0.000 1.101 93 R CA 1.115 57.181 56.100 -0.056 0.000 0.979 93 R CB -0.672 29.583 30.300 -0.075 0.000 0.877 93 R HN 0.498 nan 8.270 nan 0.000 0.441 94 L N -0.242 120.933 121.223 -0.079 0.000 2.141 94 L HA -0.110 4.207 4.340 -0.039 0.000 0.209 94 L C 2.064 178.909 176.870 -0.041 0.000 1.094 94 L CA 1.124 55.923 54.840 -0.067 0.000 0.763 94 L CB -0.294 41.710 42.059 -0.093 0.000 0.908 94 L HN 0.193 nan 8.230 nan 0.000 0.437 95 I N -0.762 119.780 120.570 -0.046 0.000 2.193 95 I HA -0.271 3.875 4.170 -0.039 0.000 0.240 95 I C 2.387 178.522 176.117 0.029 0.000 1.084 95 I CA 1.294 62.588 61.300 -0.010 0.000 1.365 95 I CB -0.433 37.560 38.000 -0.011 0.000 1.064 95 I HN 0.286 nan 8.210 nan 0.000 0.410 96 D N 1.285 121.702 120.400 0.028 0.000 2.123 96 D HA -0.142 4.475 4.640 -0.039 0.000 0.196 96 D C 1.435 177.785 176.300 0.082 0.000 0.992 96 D CA 0.973 55.011 54.000 0.063 0.000 0.833 96 D CB 0.245 41.066 40.800 0.036 0.000 0.954 96 D HN 0.212 nan 8.370 nan 0.000 0.455 100 R N 2.879 123.599 120.500 0.367 0.000 2.073 100 R HA 0.036 4.353 4.340 -0.039 0.000 0.234 100 R C -0.778 175.761 176.300 0.398 0.000 1.134 100 R CA 2.366 58.764 56.100 0.496 0.000 0.952 100 R CB -0.745 29.754 30.300 0.331 0.000 0.850 100 R HN 0.366 nan 8.270 nan 0.000 0.433 101 P HA 0.009 nan 4.420 nan 0.000 0.255 101 P C 0.565 177.863 177.300 -0.003 0.000 1.301 101 P CA 0.680 63.841 63.100 0.101 0.000 0.817 101 P CB 0.122 31.857 31.700 0.058 0.000 1.259 102 L N -1.925 119.253 121.223 -0.074 0.000 2.513 102 L HA 0.202 4.519 4.340 -0.039 0.000 0.222 102 L C 0.807 177.437 176.870 -0.400 0.000 1.096 102 L CA -0.071 54.559 54.840 -0.349 0.000 0.857 102 L CB -0.294 41.342 42.059 -0.706 0.000 1.026 102 L HN -0.153 nan 8.230 nan 0.000 0.469 103 F N 1.671 121.534 119.950 -0.144 0.000 2.543 103 F HA 0.165 4.669 4.527 -0.039 0.000 0.375 103 F C -1.617 174.025 175.800 -0.262 0.000 1.075 103 F CA -2.153 55.683 58.000 -0.274 0.000 1.225 103 F CB -0.477 38.262 39.000 -0.436 0.000 1.099 103 F HN -0.197 nan 8.300 nan 0.000 0.561 104 P HA -0.072 nan 4.420 nan 0.000 0.267 104 P C -0.428 176.936 177.300 0.108 0.000 1.200 104 P CA -0.212 62.901 63.100 0.021 0.000 0.772 104 P CB 0.452 32.225 31.700 0.122 0.000 0.855 105 E N 1.493 121.778 120.200 0.141 0.000 2.328 105 E HA 0.222 4.549 4.350 -0.039 0.000 0.265 105 E C 0.937 177.702 176.600 0.276 0.000 1.057 105 E CA 0.723 57.215 56.400 0.154 0.000 0.916 105 E CB -0.621 29.147 29.700 0.113 0.000 0.993 105 E HN 0.752 nan 8.360 nan 0.000 0.446 106 G N 4.295 113.257 108.800 0.269 0.000 2.231 106 G HA2 -0.270 3.667 3.960 -0.039 0.000 0.206 106 G HA3 -0.270 3.667 3.960 -0.039 0.000 0.206 106 G C -0.172 175.047 174.900 0.531 0.000 0.996 106 G CA -0.190 45.139 45.100 0.382 0.000 0.645 106 G HN 0.553 nan 8.290 nan 0.000 0.498 107 F N 2.200 122.202 119.950 0.086 0.000 2.471 107 F HA 0.552 5.055 4.527 -0.039 0.000 0.365 107 F C 0.978 176.705 175.800 -0.122 0.000 1.095 107 F CA 0.093 57.900 58.000 -0.321 0.000 1.174 107 F CB 1.426 39.943 39.000 -0.805 0.000 1.105 107 F HN -0.055 nan 8.300 nan 0.000 0.535 108 V N 4.329 123.975 119.914 -0.447 0.000 3.398 108 V HA 0.103 4.200 4.120 -0.039 0.000 0.298 108 V C 0.003 175.870 176.094 -0.378 0.000 1.496 108 V CA -0.425 61.747 62.300 -0.213 0.000 1.044 108 V CB -0.689 31.100 31.823 -0.058 0.000 0.880 108 V HN 0.601 nan 8.190 nan 0.000 0.443 109 N N 2.144 120.365 118.700 -0.799 0.000 2.492 109 N HA 0.123 4.839 4.740 -0.039 0.000 0.260 109 N C 0.076 175.341 175.510 -0.409 0.000 1.215 109 N CA 0.178 52.911 53.050 -0.528 0.000 0.923 109 N CB 0.519 38.749 38.487 -0.429 0.000 1.092 109 N HN 0.422 nan 8.380 nan 0.000 0.448 110 E N 1.150 121.196 120.200 -0.258 0.000 2.324 110 E HA 0.223 4.550 4.350 -0.039 0.000 0.271 110 E C -1.247 175.248 176.600 -0.174 0.000 1.028 110 E CA -0.246 56.000 56.400 -0.257 0.000 0.890 110 E CB 0.583 30.172 29.700 -0.186 0.000 1.004 110 E HN 0.256 nan 8.360 nan 0.000 0.431 111 V N 5.076 124.847 119.914 -0.238 0.000 2.623 111 V HA 0.278 4.374 4.120 -0.039 0.000 0.304 111 V C -1.333 174.672 176.094 -0.147 0.000 1.054 111 V CA -0.515 61.704 62.300 -0.136 0.000 0.882 111 V CB 1.881 33.666 31.823 -0.063 0.000 1.002 111 V HN 0.807 nan 8.190 nan 0.000 0.424 112 Q N 4.545 124.296 119.800 -0.082 0.000 2.333 112 Q HA 0.709 5.026 4.340 -0.039 0.000 0.267 112 Q C -1.867 174.106 176.000 -0.046 0.000 1.012 112 Q CA -0.633 55.129 55.803 -0.068 0.000 0.824 112 Q CB 2.260 30.967 28.738 -0.053 0.000 1.290 112 Q HN 0.681 nan 8.270 nan 0.000 0.449 113 V N 6.016 125.907 119.914 -0.038 0.000 2.357 113 V HA 0.452 4.548 4.120 -0.039 0.000 0.284 113 V C -0.304 175.778 176.094 -0.021 0.000 1.018 113 V CA -0.519 61.760 62.300 -0.036 0.000 0.841 113 V CB 1.292 33.099 31.823 -0.028 0.000 0.991 113 V HN 0.703 nan 8.190 nan 0.000 0.437 114 I N 4.386 124.936 120.570 -0.032 0.000 2.382 114 I HA 0.705 4.851 4.170 -0.039 0.000 0.286 114 I C 0.282 176.385 176.117 -0.024 0.000 1.002 114 I CA -0.409 60.882 61.300 -0.015 0.000 1.135 114 I CB 1.694 39.690 38.000 -0.008 0.000 1.288 114 I HN 0.658 nan 8.210 nan 0.000 0.448 115 A N 4.192 127.023 122.820 0.017 0.000 2.287 115 A HA 0.709 5.006 4.320 -0.039 0.000 0.317 115 A C -0.282 177.284 177.584 -0.030 0.000 1.220 115 A CA -0.490 51.566 52.037 0.031 0.000 0.835 115 A CB 1.302 20.388 19.000 0.143 0.000 1.180 115 A HN 0.575 nan 8.150 nan 0.000 0.500 116 T N 2.124 116.673 114.554 -0.009 0.000 2.812 116 T HA 0.480 4.807 4.350 -0.039 0.000 0.282 116 T C -0.695 173.978 174.700 -0.046 0.000 0.990 116 T CA -0.327 61.733 62.100 -0.068 0.000 0.960 116 T CB 0.546 69.427 68.868 0.022 0.000 0.948 116 T HN 0.550 nan 8.240 nan 0.000 0.438 117 V N 6.664 126.477 119.914 -0.170 0.000 2.415 117 V HA 0.216 4.313 4.120 -0.039 0.000 0.267 117 V C 1.214 177.244 176.094 -0.106 0.000 1.042 117 V CA -0.039 62.201 62.300 -0.100 0.000 1.000 117 V CB 0.860 32.606 31.823 -0.128 0.000 1.015 117 V HN 0.814 nan 8.190 nan 0.000 0.478 118 V N 3.912 123.823 119.914 -0.005 0.000 3.523 118 V HA 0.316 4.413 4.120 -0.039 0.000 0.255 118 V C 0.768 176.914 176.094 0.088 0.000 1.226 118 V CA 1.081 63.416 62.300 0.059 0.000 1.092 118 V CB 1.155 33.060 31.823 0.135 0.000 0.817 118 V HN 0.804 nan 8.190 nan 0.000 0.458 119 S N -1.016 114.711 115.700 0.045 0.000 2.546 119 S HA 0.670 5.116 4.470 -0.039 0.000 0.272 119 S C -1.671 172.940 174.600 0.018 0.000 1.140 119 S CA -0.305 57.921 58.200 0.044 0.000 0.920 119 S CB 1.862 65.092 63.200 0.051 0.000 1.083 119 S HN 0.133 nan 8.310 nan 0.000 0.476 120 V N 4.862 124.782 119.914 0.011 0.000 2.808 120 V HA 0.605 4.702 4.120 -0.039 0.000 0.308 120 V C -1.193 174.902 176.094 0.000 0.000 1.099 120 V CA -0.768 61.534 62.300 0.004 0.000 0.920 120 V CB 2.066 33.890 31.823 0.000 0.000 1.014 120 V HN 0.939 nan 8.190 nan 0.000 0.425 121 N N 6.176 124.869 118.700 -0.011 0.000 2.419 121 N HA 0.495 5.212 4.740 -0.039 0.000 0.277 121 N C -2.172 173.331 175.510 -0.012 0.000 1.006 121 N CA -1.858 51.182 53.050 -0.018 0.000 0.923 121 N CB 2.532 40.992 38.487 -0.045 0.000 1.140 121 N HN 0.353 nan 8.380 nan 0.000 0.488 122 P HA -0.006 nan 4.420 nan 0.000 0.230 122 P C 0.552 177.855 177.300 0.006 0.000 1.158 122 P CA 0.953 64.057 63.100 0.006 0.000 0.769 122 P CB 0.463 32.169 31.700 0.009 0.000 0.807 123 Q N -1.388 118.410 119.800 -0.003 0.000 2.352 123 Q HA 0.148 4.465 4.340 -0.039 0.000 0.212 123 Q C 0.086 176.081 176.000 -0.008 0.000 0.888 123 Q CA 0.405 56.211 55.803 0.005 0.000 0.934 123 Q CB 0.805 29.552 28.738 0.015 0.000 1.093 123 Q HN 0.146 nan 8.270 nan 0.000 0.523 124 V N 2.559 122.447 119.914 -0.043 0.000 2.334 124 V HA 0.235 4.332 4.120 -0.039 0.000 0.281 124 V C 0.093 176.174 176.094 -0.021 0.000 1.016 124 V CA -1.030 61.227 62.300 -0.071 0.000 0.832 124 V CB 1.421 33.133 31.823 -0.187 0.000 0.999 124 V HN 0.120 nan 8.190 nan 0.000 0.439 125 N N 7.557 126.262 118.700 0.008 0.000 2.452 125 N HA 0.144 4.861 4.740 -0.039 0.000 0.266 125 N C -1.303 174.231 175.510 0.040 0.000 1.209 125 N CA -1.385 51.682 53.050 0.029 0.000 0.929 125 N CB 1.914 40.421 38.487 0.032 0.000 1.063 125 N HN 0.362 nan 8.380 nan 0.000 0.472 126 P HA -0.075 nan 4.420 nan 0.000 0.234 126 P C 0.479 177.845 177.300 0.111 0.000 1.167 126 P CA 0.613 63.776 63.100 0.105 0.000 0.763 126 P CB 0.299 32.092 31.700 0.155 0.000 0.835 127 D N 0.125 120.548 120.400 0.038 0.000 2.144 127 D HA -0.142 4.475 4.640 -0.039 0.000 0.200 127 D C 1.781 178.068 176.300 -0.021 0.000 0.978 127 D CA 0.855 54.815 54.000 -0.068 0.000 0.833 127 D CB -0.878 39.853 40.800 -0.115 0.000 0.961 127 D HN 0.099 nan 8.370 nan 0.000 0.470 128 I N 0.864 121.452 120.570 0.030 0.000 2.406 128 I HA -0.119 4.027 4.170 -0.039 0.000 0.249 128 I C 2.554 178.721 176.117 0.084 0.000 1.122 128 I CA 0.385 61.726 61.300 0.068 0.000 1.431 128 I CB -0.835 37.229 38.000 0.107 0.000 1.087 128 I HN -0.026 nan 8.210 nan 0.000 0.424 129 V N 1.621 121.585 119.914 0.082 0.000 2.343 129 V HA -0.212 3.885 4.120 -0.039 0.000 0.247 129 V C 2.839 178.981 176.094 0.081 0.000 1.051 129 V CA 1.748 64.098 62.300 0.083 0.000 1.036 129 V CB -1.205 30.662 31.823 0.074 0.000 0.654 129 V HN 0.435 nan 8.190 nan 0.000 0.451 130 A N -0.714 122.163 122.820 0.095 0.000 1.969 130 A HA -0.144 4.153 4.320 -0.039 0.000 0.218 130 A C 2.216 179.830 177.584 0.051 0.000 1.169 130 A CA 1.836 53.937 52.037 0.107 0.000 0.635 130 A CB -0.439 18.683 19.000 0.204 0.000 0.810 130 A HN 0.499 nan 8.150 nan 0.000 0.445 131 M N -0.828 118.790 119.600 0.030 0.000 2.254 131 M HA 0.011 4.468 4.480 -0.039 0.000 0.265 131 M C 1.893 178.205 176.300 0.020 0.000 1.066 131 M CA 1.224 56.534 55.300 0.017 0.000 1.123 131 M CB -0.338 32.271 32.600 0.016 0.000 1.388 131 M HN 0.375 nan 8.290 nan 0.000 0.425 132 I N -0.420 120.170 120.570 0.033 0.000 2.353 132 I HA -0.146 4.000 4.170 -0.039 0.000 0.248 132 I C 2.533 178.658 176.117 0.013 0.000 1.119 132 I CA 1.259 62.575 61.300 0.027 0.000 1.417 132 I CB -0.776 37.257 38.000 0.056 0.000 1.078 132 I HN 0.344 nan 8.210 nan 0.000 0.421 133 G N 0.410 109.219 108.800 0.014 0.000 2.408 133 G HA2 -0.192 3.745 3.960 -0.039 0.000 0.217 133 G HA3 -0.192 3.745 3.960 -0.039 0.000 0.217 133 G C 1.830 176.697 174.900 -0.055 0.000 1.150 133 G CA 0.764 45.855 45.100 -0.014 0.000 0.776 133 G HN 0.476 nan 8.290 nan 0.000 0.542 134 A N 0.362 123.154 122.820 -0.046 0.000 1.968 134 A HA 0.101 4.398 4.320 -0.039 0.000 0.217 134 A C 2.570 180.075 177.584 -0.132 0.000 1.169 134 A CA 2.045 54.033 52.037 -0.083 0.000 0.638 134 A CB -0.553 18.419 19.000 -0.046 0.000 0.812 134 A HN 0.381 nan 8.150 nan 0.000 0.446 135 S N -0.516 115.140 115.700 -0.073 0.000 2.387 135 S HA 0.059 4.506 4.470 -0.039 0.000 0.226 135 S C 2.107 176.667 174.600 -0.067 0.000 1.026 135 S CA 1.322 59.494 58.200 -0.047 0.000 0.972 135 S CB -0.342 62.868 63.200 0.017 0.000 0.814 135 S HN 0.729 nan 8.310 nan 0.000 0.477 136 A N 1.030 123.812 122.820 -0.063 0.000 1.929 136 A HA 0.364 4.661 4.320 -0.039 0.000 0.216 136 A C 2.376 179.905 177.584 -0.092 0.000 1.176 136 A CA 1.486 53.489 52.037 -0.058 0.000 0.628 136 A CB -1.132 17.851 19.000 -0.029 0.000 0.816 136 A HN 0.660 nan 8.150 nan 0.000 0.444 137 A N -0.140 122.604 122.820 -0.128 0.000 1.873 137 A HA -0.002 4.295 4.320 -0.039 0.000 0.215 137 A C 2.109 179.576 177.584 -0.194 0.000 1.186 137 A CA 1.432 53.379 52.037 -0.150 0.000 0.616 137 A CB -0.589 18.312 19.000 -0.165 0.000 0.823 137 A HN 0.441 nan 8.150 nan 0.000 0.442 138 L N -0.335 120.698 121.223 -0.316 0.000 2.201 138 L HA -0.108 4.209 4.340 -0.039 0.000 0.212 138 L C 2.622 179.293 176.870 -0.331 0.000 1.105 138 L CA 1.231 55.769 54.840 -0.503 0.000 0.775 138 L CB -0.156 41.188 42.059 -1.191 0.000 0.913 138 L HN 0.308 nan 8.230 nan 0.000 0.440 139 S N -0.424 115.177 115.700 -0.166 0.000 2.425 139 S HA 0.036 4.483 4.470 -0.039 0.000 0.225 139 S C 1.808 176.383 174.600 -0.041 0.000 1.024 139 S CA 0.690 58.877 58.200 -0.021 0.000 0.951 139 S CB 0.014 63.227 63.200 0.021 0.000 0.796 139 S HN 0.291 nan 8.310 nan 0.000 0.498 140 L N 1.795 122.983 121.223 -0.058 0.000 2.509 140 L HA 0.042 4.359 4.340 -0.039 0.000 0.222 140 L C 2.448 179.304 176.870 -0.022 0.000 1.123 140 L CA 0.590 55.411 54.840 -0.031 0.000 0.856 140 L CB -0.386 41.657 42.059 -0.027 0.000 0.985 140 L HN 0.372 nan 8.230 nan 0.000 0.456 141 S N -0.628 115.035 115.700 -0.061 0.000 2.371 141 S HA 0.003 4.450 4.470 -0.039 0.000 0.224 141 S C 1.769 176.368 174.600 -0.002 0.000 1.029 141 S CA 0.935 59.107 58.200 -0.046 0.000 0.978 141 S CB -0.016 63.108 63.200 -0.128 0.000 0.833 141 S HN 0.474 nan 8.310 nan 0.000 0.466 142 G N 1.053 109.810 108.800 -0.071 0.000 2.232 142 G HA2 -0.199 3.738 3.960 -0.039 0.000 0.226 142 G HA3 -0.199 3.738 3.960 -0.039 0.000 0.226 142 G C 0.099 174.775 174.900 -0.373 0.000 0.996 142 G CA -0.126 44.967 45.100 -0.012 0.000 0.626 142 G HN 0.571 nan 8.290 nan 0.000 0.509 143 I N 4.048 124.141 120.570 -0.795 0.000 2.752 143 I HA 0.155 4.302 4.170 -0.039 0.000 0.289 143 I C -1.331 174.412 176.117 -0.623 0.000 1.197 143 I CA -1.198 59.411 61.300 -1.151 0.000 1.432 143 I CB 0.434 37.921 38.000 -0.854 0.000 1.359 143 I HN -0.016 nan 8.210 nan 0.000 0.571 144 P HA -0.062 nan 4.420 nan 0.000 0.253 144 P C -0.813 176.230 177.300 -0.428 0.000 1.170 144 P CA 0.620 63.426 63.100 -0.491 0.000 0.806 144 P CB -0.138 31.151 31.700 -0.686 0.000 0.775 145 F N 3.971 123.635 119.950 -0.477 0.000 2.689 145 F HA 0.272 4.776 4.527 -0.039 0.000 0.332 145 F C -0.358 175.216 175.800 -0.377 0.000 1.209 145 F CA -0.851 56.809 58.000 -0.567 0.000 1.028 145 F CB 1.314 39.951 39.000 -0.605 0.000 1.291 145 F HN 0.009 nan 8.300 nan 0.000 0.500 146 N N 4.572 122.750 118.700 -0.871 0.000 3.259 146 N HA 0.228 4.944 4.740 -0.039 0.000 0.308 146 N C 0.349 175.381 175.510 -0.797 0.000 1.334 146 N CA 0.304 52.971 53.050 -0.639 0.000 1.202 146 N CB 0.781 39.015 38.487 -0.421 0.000 1.485 146 N HN 0.833 nan 8.380 nan 0.000 0.549 147 G N 0.618 108.889 108.800 -0.882 0.000 3.039 147 G HA2 0.537 4.474 3.960 -0.039 0.000 0.159 147 G HA3 0.537 4.474 3.960 -0.039 0.000 0.159 147 G C -2.541 172.233 174.900 -0.210 0.000 1.284 147 G CA -0.610 44.164 45.100 -0.543 0.000 0.996 147 G HN 0.109 nan 8.290 nan 0.000 0.592 148 P HA 0.437 nan 4.420 nan 0.000 0.279 148 P C -0.399 176.873 177.300 -0.047 0.000 1.252 148 P CA -0.516 62.592 63.100 0.014 0.000 0.811 148 P CB 1.181 32.882 31.700 0.002 0.000 1.035 149 I N -2.083 118.496 120.570 0.014 0.000 2.664 149 I HA 0.800 4.946 4.170 -0.039 0.000 0.308 149 I C 0.380 176.473 176.117 -0.042 0.000 0.984 149 I CA -0.792 60.496 61.300 -0.020 0.000 1.213 149 I CB 1.484 39.496 38.000 0.020 0.000 1.379 149 I HN 0.279 nan 8.210 nan 0.000 0.501 150 G N 2.432 111.192 108.800 -0.065 0.000 2.462 150 G HA2 0.731 4.668 3.960 -0.039 0.000 0.319 150 G HA3 0.731 4.668 3.960 -0.039 0.000 0.319 150 G C -1.241 173.648 174.900 -0.019 0.000 1.171 150 G CA -0.746 44.302 45.100 -0.087 0.000 0.920 150 G HN 1.036 nan 8.290 nan 0.000 0.499 151 A N -0.488 122.337 122.820 0.009 0.000 2.353 151 A HA 0.858 5.155 4.320 -0.039 0.000 0.299 151 A C -0.255 177.452 177.584 0.205 0.000 1.089 151 A CA -0.073 52.014 52.037 0.085 0.000 0.736 151 A CB 1.388 20.436 19.000 0.079 0.000 1.195 151 A HN 1.978 nan 8.150 nan 0.000 0.447 152 A N 2.298 125.215 122.820 0.162 0.000 2.422 152 A HA 0.816 5.113 4.320 -0.039 0.000 0.302 152 A C -0.409 177.239 177.584 0.107 0.000 1.041 152 A CA -0.642 51.500 52.037 0.174 0.000 0.708 152 A CB 1.195 20.278 19.000 0.138 0.000 1.257 152 A HN 0.981 nan 8.150 nan 0.000 0.414 153 R N 1.990 122.544 120.500 0.090 0.000 2.338 153 R HA 0.642 4.959 4.340 -0.039 0.000 0.317 153 R C -1.685 174.687 176.300 0.119 0.000 0.968 153 R CA -0.289 55.863 56.100 0.086 0.000 0.849 153 R CB 1.289 31.631 30.300 0.069 0.000 1.128 153 R HN 0.472 nan 8.270 nan 0.000 0.448 154 V N 4.189 124.193 119.914 0.149 0.000 2.417 154 V HA 0.563 4.660 4.120 -0.039 0.000 0.291 154 V C 0.682 176.893 176.094 0.194 0.000 1.024 154 V CA -0.555 61.882 62.300 0.228 0.000 0.861 154 V CB 1.432 33.419 31.823 0.272 0.000 0.985 154 V HN 0.980 nan 8.190 nan 0.000 0.436 155 G N 2.274 111.191 108.800 0.194 0.000 2.552 155 G HA2 0.561 4.498 3.960 -0.039 0.000 0.318 155 G HA3 0.561 4.498 3.960 -0.039 0.000 0.318 155 G C -1.707 173.329 174.900 0.225 0.000 1.240 155 G CA -0.445 44.754 45.100 0.164 0.000 1.002 155 G HN 0.586 nan 8.290 nan 0.000 0.493 156 Y N 0.311 120.606 120.300 -0.008 0.000 2.517 156 Y HA 0.480 5.006 4.550 -0.039 0.000 0.346 156 Y C -0.656 175.185 175.900 -0.098 0.000 1.113 156 Y CA -0.791 57.253 58.100 -0.092 0.000 1.295 156 Y CB 0.456 38.864 38.460 -0.087 0.000 1.094 156 Y HN 0.315 nan 8.280 nan 0.000 0.608 157 I N 4.231 124.641 120.570 -0.265 0.000 2.354 157 I HA 0.275 4.422 4.170 -0.039 0.000 0.292 157 I C -0.110 175.808 176.117 -0.333 0.000 0.989 157 I CA -0.868 60.300 61.300 -0.219 0.000 1.188 157 I CB 1.240 39.170 38.000 -0.117 0.000 1.342 157 I HN 0.503 nan 8.210 nan 0.000 0.457 158 N N 5.062 123.597 118.700 -0.276 0.000 2.725 158 N HA -0.210 4.507 4.740 -0.039 0.000 0.251 158 N C -0.428 174.850 175.510 -0.387 0.000 1.031 158 N CA 1.039 53.934 53.050 -0.257 0.000 0.720 158 N CB -0.949 37.432 38.487 -0.177 0.000 0.930 158 N HN 0.802 nan 8.380 nan 0.000 0.543 159 D N -1.398 118.630 120.400 -0.620 0.000 2.911 159 D HA -0.215 4.401 4.640 -0.039 0.000 0.227 159 D C -0.152 175.614 176.300 -0.891 0.000 1.164 159 D CA 1.251 54.780 54.000 -0.784 0.000 0.782 159 D CB -0.782 39.848 40.800 -0.284 0.000 1.094 159 D HN 0.670 nan 8.370 nan 0.000 0.425 160 Q N -0.929 118.279 119.800 -0.988 0.000 2.359 160 Q HA 0.424 4.740 4.340 -0.039 0.000 0.274 160 Q C -0.735 174.846 176.000 -0.699 0.000 1.074 160 Q CA -0.726 54.654 55.803 -0.705 0.000 0.810 160 Q CB 1.707 30.219 28.738 -0.376 0.000 1.342 160 Q HN 0.109 nan 8.270 nan 0.000 0.427 161 Y N 0.445 120.492 120.300 -0.421 0.000 2.377 161 Y HA 0.278 4.804 4.550 -0.039 0.000 0.330 161 Y C 0.085 175.729 175.900 -0.427 0.000 1.108 161 Y CA -0.509 57.283 58.100 -0.513 0.000 1.308 161 Y CB 0.720 38.492 38.460 -1.148 0.000 1.216 161 Y HN 0.232 nan 8.280 nan 0.000 0.518 162 V N 5.597 125.505 119.914 -0.011 0.000 2.409 162 V HA 0.197 4.294 4.120 -0.039 0.000 0.291 162 V C -0.480 175.746 176.094 0.220 0.000 1.020 162 V CA -0.940 61.406 62.300 0.077 0.000 0.848 162 V CB 1.544 33.377 31.823 0.018 0.000 0.990 162 V HN 0.519 nan 8.190 nan 0.000 0.430 163 L N 5.973 127.359 121.223 0.270 0.000 2.360 163 L HA 0.470 4.786 4.340 -0.039 0.000 0.276 163 L C 0.623 177.494 176.870 0.002 0.000 1.121 163 L CA 0.471 55.413 54.840 0.170 0.000 0.845 163 L CB -0.040 42.050 42.059 0.050 0.000 1.143 163 L HN 0.760 nan 8.230 nan 0.000 0.452 164 N N 3.742 122.437 118.700 -0.007 0.000 2.629 164 N HA -0.156 4.561 4.740 -0.039 0.000 0.278 164 N C -2.416 173.114 175.510 0.033 0.000 1.102 164 N CA 0.653 53.699 53.050 -0.007 0.000 0.759 164 N CB -1.135 37.306 38.487 -0.077 0.000 0.911 164 N HN 0.508 nan 8.380 nan 0.000 0.553 165 P HA 0.087 nan 4.420 nan 0.000 0.275 165 P C 0.499 177.837 177.300 0.064 0.000 1.227 165 P CA -0.113 63.017 63.100 0.049 0.000 0.781 165 P CB 0.618 32.348 31.700 0.049 0.000 0.906 166 T N -0.177 114.418 114.554 0.068 0.000 2.726 166 T HA 0.048 4.374 4.350 -0.039 0.000 0.294 166 T C 1.494 176.221 174.700 0.046 0.000 1.013 166 T CA -0.437 61.704 62.100 0.068 0.000 0.996 166 T CB 0.245 69.157 68.868 0.074 0.000 1.016 166 T HN 0.301 nan 8.240 nan 0.000 0.529 167 Q N 0.407 120.231 119.800 0.039 0.000 2.170 167 Q HA -0.109 4.207 4.340 -0.039 0.000 0.203 167 Q C 1.705 177.722 176.000 0.028 0.000 0.976 167 Q CA 1.531 57.354 55.803 0.032 0.000 0.858 167 Q CB -0.457 28.298 28.738 0.029 0.000 0.907 167 Q HN 0.701 nan 8.270 nan 0.000 0.433 168 D N 0.476 120.892 120.400 0.026 0.000 2.194 168 D HA -0.076 4.541 4.640 -0.039 0.000 0.204 168 D C 1.634 177.944 176.300 0.018 0.000 0.964 168 D CA 0.659 54.672 54.000 0.020 0.000 0.846 168 D CB 0.099 40.910 40.800 0.018 0.000 0.962 168 D HN 0.398 nan 8.370 nan 0.000 0.490 169 E N -0.006 120.207 120.200 0.021 0.000 2.076 169 E HA -0.077 4.249 4.350 -0.039 0.000 0.190 169 E C 1.901 178.512 176.600 0.018 0.000 0.979 169 E CA 0.010 56.419 56.400 0.015 0.000 0.807 169 E CB 0.056 29.765 29.700 0.016 0.000 0.761 169 E HN 0.039 nan 8.360 nan 0.000 0.454 170 L N 1.979 123.219 121.223 0.028 0.000 2.051 170 L HA -0.252 4.064 4.340 -0.039 0.000 0.214 170 L C 1.853 178.740 176.870 0.028 0.000 1.076 170 L CA 1.831 56.690 54.840 0.033 0.000 0.758 170 L CB -0.384 41.697 42.059 0.037 0.000 0.890 170 L HN -0.020 nan 8.230 nan 0.000 0.433 171 K N -0.750 119.664 120.400 0.023 0.000 2.286 171 K HA -0.215 4.081 4.320 -0.039 0.000 0.203 171 K C 1.402 178.011 176.600 0.015 0.000 1.045 171 K CA 1.634 57.933 56.287 0.020 0.000 0.935 171 K CB -0.109 32.401 32.500 0.016 0.000 0.737 171 K HN 0.398 nan 8.250 nan 0.000 0.460 172 E N -0.085 120.121 120.200 0.011 0.000 2.481 172 E HA 0.050 4.377 4.350 -0.039 0.000 0.198 172 E C -0.237 176.367 176.600 0.007 0.000 1.027 172 E CA -0.226 56.176 56.400 0.003 0.000 0.900 172 E CB 1.035 30.730 29.700 -0.010 0.000 0.993 172 E HN 0.029 nan 8.360 nan 0.000 0.482 173 S N -0.333 115.381 115.700 0.024 0.000 2.617 173 S HA 0.230 4.677 4.470 -0.039 0.000 0.283 173 S C 0.671 175.311 174.600 0.068 0.000 1.189 173 S CA -0.604 57.625 58.200 0.048 0.000 1.036 173 S CB 1.368 64.603 63.200 0.058 0.000 1.014 173 S HN -0.097 nan 8.310 nan 0.000 0.522 174 K N 1.682 122.154 120.400 0.119 0.000 2.358 174 K HA 0.409 4.706 4.320 -0.039 0.000 0.200 174 K C -0.462 176.180 176.600 0.070 0.000 1.030 174 K CA -0.189 56.159 56.287 0.101 0.000 1.097 174 K CB -0.102 32.495 32.500 0.162 0.000 0.862 174 K HN 0.589 nan 8.250 nan 0.000 0.534 175 L N 0.326 121.605 121.223 0.094 0.000 2.526 175 L HA 0.531 4.847 4.340 -0.039 0.000 0.263 175 L C -2.121 174.795 176.870 0.078 0.000 0.943 175 L CA -0.413 54.468 54.840 0.069 0.000 0.859 175 L CB 2.505 44.607 42.059 0.071 0.000 1.313 175 L HN -0.068 nan 8.230 nan 0.000 0.406 176 D N 4.205 124.637 120.400 0.054 0.000 2.456 176 D HA 0.319 4.935 4.640 -0.039 0.000 0.287 176 D C -1.406 174.921 176.300 0.046 0.000 1.186 176 D CA 0.051 54.083 54.000 0.053 0.000 0.916 176 D CB 0.511 41.335 40.800 0.039 0.000 1.029 176 D HN 0.603 nan 8.370 nan 0.000 0.498 177 L N 2.574 123.835 121.223 0.063 0.000 2.309 177 L HA 0.618 4.935 4.340 -0.039 0.000 0.282 177 L C -1.084 175.819 176.870 0.056 0.000 1.036 177 L CA -0.611 54.261 54.840 0.053 0.000 0.806 177 L CB 1.451 43.548 42.059 0.064 0.000 1.220 177 L HN -0.007 nan 8.230 nan 0.000 0.429 178 V N 5.846 125.782 119.914 0.036 0.000 2.409 178 V HA 0.467 4.564 4.120 -0.039 0.000 0.291 178 V C -0.530 175.583 176.094 0.031 0.000 1.020 178 V CA -0.602 61.719 62.300 0.036 0.000 0.848 178 V CB 1.682 33.516 31.823 0.018 0.000 0.990 178 V HN 0.523 nan 8.190 nan 0.000 0.430 179 V N 4.736 124.676 119.914 0.045 0.000 2.588 179 V HA 0.964 5.061 4.120 -0.039 0.000 0.304 179 V C -0.226 175.898 176.094 0.050 0.000 1.042 179 V CA -0.082 62.243 62.300 0.041 0.000 0.877 179 V CB 1.782 33.632 31.823 0.045 0.000 0.996 179 V HN 1.111 nan 8.190 nan 0.000 0.425 180 A N 4.410 127.255 122.820 0.042 0.000 2.393 180 A HA 1.047 5.343 4.320 -0.039 0.000 0.306 180 A C -0.142 177.474 177.584 0.053 0.000 1.050 180 A CA 0.054 52.118 52.037 0.044 0.000 0.724 180 A CB 1.897 20.916 19.000 0.032 0.000 1.248 180 A HN 1.915 nan 8.150 nan 0.000 0.424 181 G N -0.517 108.324 108.800 0.067 0.000 2.523 181 G HA2 0.565 4.501 3.960 -0.039 0.000 0.291 181 G HA3 0.565 4.501 3.960 -0.039 0.000 0.291 181 G C -0.454 174.476 174.900 0.050 0.000 1.450 181 G CA 0.325 45.475 45.100 0.084 0.000 0.790 181 G HN 0.967 nan 8.290 nan 0.000 0.496 182 T N -1.595 112.980 114.554 0.034 0.000 2.771 182 T HA 0.470 4.797 4.350 -0.039 0.000 0.290 182 T C 2.025 176.734 174.700 0.016 0.000 1.005 182 T CA 1.358 63.441 62.100 -0.028 0.000 0.944 182 T CB 0.604 69.416 68.868 -0.092 0.000 1.147 182 T HN 1.139 nan 8.240 nan 0.000 0.534 183 E N -0.445 119.720 120.200 -0.058 0.000 2.338 183 E HA 0.134 4.460 4.350 -0.039 0.000 0.197 183 E C 1.967 178.579 176.600 0.021 0.000 1.007 183 E CA 1.553 57.908 56.400 -0.074 0.000 0.849 183 E CB -0.813 28.830 29.700 -0.096 0.000 0.774 183 E HN 0.742 nan 8.360 nan 0.000 0.506 184 A N -0.557 122.286 122.820 0.039 0.000 1.920 184 A HA 0.738 5.034 4.320 -0.039 0.000 0.209 184 A C 1.586 179.187 177.584 0.028 0.000 1.229 184 A CA 1.226 53.279 52.037 0.027 0.000 0.671 184 A CB 0.269 19.252 19.000 -0.029 0.000 0.886 184 A HN 1.197 nan 8.150 nan 0.000 0.461 185 A N -1.194 121.628 122.820 0.003 0.000 2.556 185 A HA 0.604 4.900 4.320 -0.039 0.000 0.294 185 A C -0.717 176.764 177.584 -0.173 0.000 1.091 185 A CA -0.444 51.499 52.037 -0.157 0.000 0.704 185 A CB 0.835 19.756 19.000 -0.131 0.000 1.300 185 A HN 0.432 nan 8.150 nan 0.000 0.406 186 V N 1.588 121.293 119.914 -0.349 0.000 2.686 186 V HA 0.216 4.312 4.120 -0.039 0.000 0.295 186 V C 0.820 176.854 176.094 -0.101 0.000 1.055 186 V CA 0.331 62.508 62.300 -0.204 0.000 1.050 186 V CB 0.842 32.516 31.823 -0.249 0.000 0.984 186 V HN 0.818 nan 8.190 nan 0.000 0.482 187 L N 2.657 123.855 121.223 -0.043 0.000 2.624 187 L HA 0.395 4.712 4.340 -0.039 0.000 0.222 187 L C 0.448 177.309 176.870 -0.016 0.000 1.046 187 L CA 0.403 55.225 54.840 -0.031 0.000 0.872 187 L CB 0.377 42.424 42.059 -0.021 0.000 1.190 187 L HN 0.485 nan 8.230 nan 0.000 0.487 188 M N 1.110 120.706 119.600 -0.007 0.000 2.326 188 M HA 0.520 4.977 4.480 -0.039 0.000 0.292 188 M C -2.026 174.272 176.300 -0.005 0.000 1.081 188 M CA -0.444 54.855 55.300 -0.002 0.000 0.919 188 M CB 2.354 34.958 32.600 0.007 0.000 1.634 188 M HN -0.249 nan 8.290 nan 0.000 0.451 189 V N 3.561 123.469 119.914 -0.009 0.000 2.760 189 V HA 0.576 4.673 4.120 -0.039 0.000 0.309 189 V C -1.194 174.895 176.094 -0.007 0.000 1.077 189 V CA -0.601 61.694 62.300 -0.009 0.000 0.910 189 V CB 2.232 34.041 31.823 -0.023 0.000 1.008 189 V HN 0.868 nan 8.190 nan 0.000 0.424 190 E N 2.738 122.935 120.200 -0.006 0.000 2.343 190 E HA 0.604 4.931 4.350 -0.039 0.000 0.260 190 E C -0.842 175.755 176.600 -0.005 0.000 0.908 190 E CA -0.182 56.211 56.400 -0.012 0.000 0.814 190 E CB 1.779 31.464 29.700 -0.024 0.000 1.302 190 E HN 0.826 nan 8.360 nan 0.000 0.408 191 S N 2.970 118.667 115.700 -0.005 0.000 2.566 191 S HA 0.735 5.182 4.470 -0.039 0.000 0.298 191 S C -0.566 174.032 174.600 -0.003 0.000 1.083 191 S CA -0.927 57.274 58.200 0.002 0.000 0.978 191 S CB 1.838 65.039 63.200 0.001 0.000 1.073 191 S HN 0.487 nan 8.310 nan 0.000 0.491 192 E N 0.649 120.851 120.200 0.003 0.000 2.278 192 E HA 0.633 4.960 4.350 -0.039 0.000 0.272 192 E C -1.449 175.151 176.600 0.001 0.000 0.890 192 E CA -0.933 55.466 56.400 -0.001 0.000 0.770 192 E CB 1.719 31.421 29.700 0.004 0.000 1.212 192 E HN 1.004 nan 8.360 nan 0.000 0.415 193 A N 3.859 126.673 122.820 -0.011 0.000 2.539 193 A HA 0.458 4.755 4.320 -0.039 0.000 0.296 193 A C -0.940 176.630 177.584 -0.024 0.000 1.073 193 A CA -0.736 51.289 52.037 -0.021 0.000 0.700 193 A CB 1.667 20.643 19.000 -0.039 0.000 1.296 193 A HN 0.709 nan 8.150 nan 0.000 0.405 194 E N 1.763 121.948 120.200 -0.024 0.000 2.360 194 E HA 0.432 4.759 4.350 -0.039 0.000 0.253 194 E C -0.905 175.676 176.600 -0.031 0.000 1.189 194 E CA -0.325 56.062 56.400 -0.022 0.000 1.252 194 E CB -0.224 29.472 29.700 -0.006 0.000 1.408 194 E HN 0.583 nan 8.360 nan 0.000 0.464 195 L N 1.312 122.514 121.223 -0.036 0.000 3.601 195 L HA -0.264 4.053 4.340 -0.039 0.000 0.469 195 L C -0.376 176.465 176.870 -0.048 0.000 1.294 195 L CA 0.254 55.072 54.840 -0.036 0.000 0.829 195 L CB -1.566 40.475 42.059 -0.029 0.000 1.628 195 L HN 0.525 nan 8.230 nan 0.000 0.868 196 L N -0.272 120.909 121.223 -0.071 0.000 2.421 196 L HA 0.477 4.794 4.340 -0.039 0.000 0.263 196 L C 1.233 178.057 176.870 -0.078 0.000 1.122 196 L CA -0.023 54.752 54.840 -0.109 0.000 0.804 196 L CB 1.596 43.536 42.059 -0.198 0.000 1.150 196 L HN 0.451 nan 8.230 nan 0.000 0.457 197 S N 0.027 115.681 115.700 -0.078 0.000 2.608 197 S HA 0.098 4.545 4.470 -0.039 0.000 0.261 197 S C 0.728 175.305 174.600 -0.039 0.000 1.314 197 S CA -0.564 57.610 58.200 -0.044 0.000 0.992 197 S CB 1.062 64.243 63.200 -0.031 0.000 0.935 197 S HN 0.601 nan 8.310 nan 0.000 0.564 198 E N 0.642 120.832 120.200 -0.017 0.000 2.110 198 E HA -0.100 4.226 4.350 -0.039 0.000 0.193 198 E C 1.428 178.018 176.600 -0.016 0.000 0.988 198 E CA 1.548 57.941 56.400 -0.012 0.000 0.804 198 E CB -0.199 29.502 29.700 0.003 0.000 0.745 198 E HN 0.647 nan 8.360 nan 0.000 0.458 199 D N -0.045 120.351 120.400 -0.007 0.000 2.183 199 D HA -0.100 4.517 4.640 -0.039 0.000 0.203 199 D C 1.731 178.048 176.300 0.029 0.000 0.969 199 D CA 0.697 54.702 54.000 0.008 0.000 0.842 199 D CB 0.041 40.853 40.800 0.019 0.000 0.957 199 D HN 0.288 nan 8.370 nan 0.000 0.484 200 Q N -0.429 119.372 119.800 0.002 0.000 2.172 200 Q HA -0.041 4.276 4.340 -0.039 0.000 0.200 200 Q C 2.097 178.106 176.000 0.016 0.000 0.964 200 Q CA 0.759 56.561 55.803 -0.002 0.000 0.855 200 Q CB 0.141 28.755 28.738 -0.207 0.000 0.918 200 Q HN 0.203 nan 8.270 nan 0.000 0.444 201 M N -0.045 119.535 119.600 -0.032 0.000 2.193 201 M HA -0.073 4.384 4.480 -0.039 0.000 0.265 201 M C 2.170 178.448 176.300 -0.037 0.000 1.071 201 M CA 1.073 56.353 55.300 -0.033 0.000 1.140 201 M CB -0.742 31.833 32.600 -0.041 0.000 1.369 201 M HN 0.259 nan 8.290 nan 0.000 0.423 202 L N 0.091 121.289 121.223 -0.042 0.000 2.093 202 L HA -0.030 4.287 4.340 -0.039 0.000 0.208 202 L C 2.270 179.100 176.870 -0.067 0.000 1.085 202 L CA 1.343 56.144 54.840 -0.065 0.000 0.755 202 L CB -0.661 41.359 42.059 -0.065 0.000 0.904 202 L HN 0.339 nan 8.230 nan 0.000 0.435 203 G N -1.000 107.777 108.800 -0.038 0.000 2.432 203 G HA2 -0.241 3.695 3.960 -0.039 0.000 0.219 203 G HA3 -0.241 3.695 3.960 -0.039 0.000 0.219 203 G C 1.565 176.211 174.900 -0.424 0.000 1.135 203 G CA 0.637 45.677 45.100 -0.101 0.000 0.767 203 G HN 0.547 nan 8.290 nan 0.000 0.550 204 A N 0.048 122.648 122.820 -0.366 0.000 1.968 204 A HA 0.216 4.513 4.320 -0.039 0.000 0.217 204 A C 2.533 180.064 177.584 -0.089 0.000 1.169 204 A CA 1.439 53.267 52.037 -0.349 0.000 0.638 204 A CB -0.305 18.674 19.000 -0.036 0.000 0.812 204 A HN 0.216 nan 8.150 nan 0.000 0.446 205 V N -0.348 119.523 119.914 -0.072 0.000 2.358 205 V HA -0.192 3.905 4.120 -0.039 0.000 0.246 205 V C 2.539 178.619 176.094 -0.024 0.000 1.047 205 V CA 1.928 64.203 62.300 -0.041 0.000 1.035 205 V CB -0.701 31.076 31.823 -0.076 0.000 0.658 205 V HN 0.359 nan 8.190 nan 0.000 0.452 206 V N -0.408 119.480 119.914 -0.044 0.000 2.358 206 V HA -0.234 3.862 4.120 -0.039 0.000 0.246 206 V C 2.174 178.288 176.094 0.033 0.000 1.047 206 V CA 2.269 64.563 62.300 -0.010 0.000 1.035 206 V CB -0.781 31.027 31.823 -0.024 0.000 0.658 206 V HN 0.567 nan 8.190 nan 0.000 0.452 207 F N 2.307 122.157 119.950 -0.167 0.000 2.095 207 F HA -0.071 4.432 4.527 -0.039 0.000 0.298 207 F C 2.195 177.956 175.800 -0.065 0.000 1.104 207 F CA 1.882 59.786 58.000 -0.160 0.000 1.232 207 F CB -0.858 37.919 39.000 -0.371 0.000 0.987 207 F HN 0.135 nan 8.300 nan 0.000 0.475 208 G N -1.075 107.680 108.800 -0.075 0.000 2.422 208 G HA2 -0.286 3.650 3.960 -0.039 0.000 0.218 208 G HA3 -0.286 3.650 3.960 -0.039 0.000 0.218 208 G C 1.775 176.628 174.900 -0.078 0.000 1.140 208 G CA 0.926 45.962 45.100 -0.108 0.000 0.775 208 G HN 0.575 nan 8.290 nan 0.000 0.545 209 H N 0.626 119.627 119.070 -0.114 0.000 2.428 209 H HA 0.072 4.604 4.556 -0.039 0.000 0.296 209 H C 2.237 177.497 175.328 -0.113 0.000 1.062 209 H CA 1.400 57.392 56.048 -0.094 0.000 1.350 209 H CB 0.250 29.964 29.762 -0.080 0.000 1.403 209 H HN 0.460 nan 8.280 nan 0.000 0.533 210 E N -0.058 120.058 120.200 -0.141 0.000 2.107 210 E HA -0.115 4.212 4.350 -0.039 0.000 0.191 210 E C 2.318 178.785 176.600 -0.222 0.000 0.982 210 E CA 0.399 56.692 56.400 -0.179 0.000 0.809 210 E CB 0.256 29.886 29.700 -0.115 0.000 0.756 210 E HN 0.456 nan 8.360 nan 0.000 0.459 211 Q N 0.377 119.998 119.800 -0.299 0.000 2.245 211 Q HA -0.133 4.184 4.340 -0.039 0.000 0.201 211 Q C 1.935 177.941 176.000 0.010 0.000 0.955 211 Q CA 0.970 56.642 55.803 -0.218 0.000 0.870 211 Q CB 0.029 28.506 28.738 -0.434 0.000 0.945 211 Q HN 0.509 nan 8.270 nan 0.000 0.461 212 Q N -0.472 119.302 119.800 -0.042 0.000 2.444 212 Q HA -0.005 4.312 4.340 -0.039 0.000 0.206 212 Q C 1.277 177.161 176.000 -0.193 0.000 0.948 212 Q CA 0.217 55.996 55.803 -0.040 0.000 0.946 212 Q CB 0.168 28.885 28.738 -0.035 0.000 1.027 212 Q HN 0.111 nan 8.270 nan 0.000 0.513 213 Q N 0.911 120.589 119.800 -0.202 0.000 2.291 213 Q HA -0.080 4.237 4.340 -0.039 0.000 0.205 213 Q C 2.318 178.193 176.000 -0.210 0.000 0.970 213 Q CA 1.623 57.292 55.803 -0.223 0.000 0.876 213 Q CB -0.034 28.581 28.738 -0.206 0.000 0.935 213 Q HN 0.573 nan 8.270 nan 0.000 0.455 214 V N -2.866 116.941 119.914 -0.178 0.000 2.809 214 V HA -0.095 4.002 4.120 -0.039 0.000 0.256 214 V C 2.163 177.975 176.094 -0.470 0.000 1.080 214 V CA 0.939 63.111 62.300 -0.214 0.000 1.102 214 V CB -0.840 30.973 31.823 -0.016 0.000 0.705 214 V HN 0.011 nan 8.190 nan 0.000 0.475 215 V N 0.654 120.294 119.914 -0.458 0.000 2.379 215 V HA -0.111 3.985 4.120 -0.039 0.000 0.245 215 V C 2.485 178.336 176.094 -0.406 0.000 1.044 215 V CA 2.231 64.223 62.300 -0.512 0.000 1.036 215 V CB -0.533 31.032 31.823 -0.431 0.000 0.664 215 V HN 0.446 nan 8.190 nan 0.000 0.453 216 I N -0.054 120.336 120.570 -0.299 0.000 2.226 216 I HA -0.299 3.848 4.170 -0.039 0.000 0.245 216 I C 2.662 178.642 176.117 -0.228 0.000 1.100 216 I CA 1.619 62.786 61.300 -0.222 0.000 1.374 216 I CB -0.441 37.446 38.000 -0.188 0.000 1.057 216 I HN 0.329 nan 8.210 nan 0.000 0.413 217 Q N 0.445 120.088 119.800 -0.261 0.000 2.079 217 Q HA -0.146 4.170 4.340 -0.039 0.000 0.200 217 Q C 2.011 177.853 176.000 -0.264 0.000 0.974 217 Q CA 1.260 56.926 55.803 -0.229 0.000 0.840 217 Q CB -0.131 28.482 28.738 -0.208 0.000 0.898 217 Q HN 0.498 nan 8.270 nan 0.000 0.430 218 N N 0.267 118.711 118.700 -0.426 0.000 2.331 218 N HA -0.041 4.676 4.740 -0.039 0.000 0.180 218 N C 1.712 177.057 175.510 -0.275 0.000 1.019 218 N CA 0.847 53.626 53.050 -0.452 0.000 0.881 218 N CB 0.151 38.041 38.487 -0.995 0.000 0.972 218 N HN 0.266 nan 8.380 nan 0.000 0.435 219 I N 1.287 121.709 120.570 -0.246 0.000 2.286 219 I HA -0.183 3.964 4.170 -0.039 0.000 0.245 219 I C 1.865 177.923 176.117 -0.098 0.000 1.104 219 I CA 0.667 61.890 61.300 -0.129 0.000 1.397 219 I CB -0.207 37.730 38.000 -0.105 0.000 1.072 219 I HN 0.032 nan 8.210 nan 0.000 0.417 220 N N 0.670 119.302 118.700 -0.114 0.000 2.149 220 N HA -0.236 4.480 4.740 -0.039 0.000 0.188 220 N C 1.827 177.295 175.510 -0.071 0.000 1.019 220 N CA 1.357 54.355 53.050 -0.086 0.000 0.857 220 N CB -0.174 38.255 38.487 -0.096 0.000 0.997 220 N HN 0.344 nan 8.380 nan 0.000 0.426 221 E N 1.078 121.228 120.200 -0.083 0.000 2.107 221 E HA 0.030 4.357 4.350 -0.039 0.000 0.191 221 E C 2.038 178.614 176.600 -0.039 0.000 0.982 221 E CA 0.404 56.768 56.400 -0.060 0.000 0.809 221 E CB -0.309 29.350 29.700 -0.069 0.000 0.756 221 E HN 0.261 nan 8.360 nan 0.000 0.459 222 L N -0.376 120.822 121.223 -0.040 0.000 2.141 222 L HA -0.115 4.202 4.340 -0.039 0.000 0.209 222 L C 2.082 178.943 176.870 -0.014 0.000 1.094 222 L CA 0.761 55.590 54.840 -0.017 0.000 0.763 222 L CB -0.096 41.957 42.059 -0.010 0.000 0.908 222 L HN 0.120 nan 8.230 nan 0.000 0.437 223 V N 0.052 119.952 119.914 -0.024 0.000 2.343 223 V HA -0.303 3.794 4.120 -0.039 0.000 0.247 223 V C 2.331 178.419 176.094 -0.010 0.000 1.051 223 V CA 1.790 64.079 62.300 -0.017 0.000 1.036 223 V CB -0.418 31.390 31.823 -0.024 0.000 0.654 223 V HN 0.440 nan 8.190 nan 0.000 0.451 224 K N -0.635 119.756 120.400 -0.016 0.000 2.288 224 K HA -0.097 4.200 4.320 -0.039 0.000 0.201 224 K C 2.008 178.606 176.600 -0.004 0.000 1.048 224 K CA 1.023 57.303 56.287 -0.011 0.000 0.956 224 K CB 0.014 32.503 32.500 -0.018 0.000 0.746 224 K HN 0.567 nan 8.250 nan 0.000 0.461 225 E N -0.323 119.875 120.200 -0.003 0.000 2.099 225 E HA 0.028 4.355 4.350 -0.039 0.000 0.191 225 E C 1.165 177.770 176.600 0.009 0.000 0.962 225 E CA 0.691 57.093 56.400 0.003 0.000 0.826 225 E CB 0.393 30.095 29.700 0.003 0.000 0.788 225 E HN 0.211 nan 8.360 nan 0.000 0.461 226 A N 0.858 123.685 122.820 0.011 0.000 2.585 226 A HA 0.344 4.641 4.320 -0.039 0.000 0.266 226 A C 0.766 178.362 177.584 0.019 0.000 1.178 226 A CA 0.058 52.105 52.037 0.017 0.000 0.966 226 A CB 0.666 19.678 19.000 0.020 0.000 1.170 226 A HN 0.155 nan 8.150 nan 0.000 0.558 227 G N 0.662 109.471 108.800 0.015 0.000 2.406 227 G HA2 0.398 4.335 3.960 -0.039 0.000 0.251 227 G HA3 0.398 4.335 3.960 -0.039 0.000 0.251 227 G C -0.066 174.855 174.900 0.034 0.000 1.271 227 G CA -0.276 44.836 45.100 0.019 0.000 0.859 227 G HN 0.399 nan 8.290 nan 0.000 0.540 228 K N 2.385 122.814 120.400 0.048 0.000 2.258 228 K HA 0.175 4.472 4.320 -0.039 0.000 0.264 228 K C -2.031 174.623 176.600 0.090 0.000 1.007 228 K CA -1.007 55.324 56.287 0.074 0.000 0.941 228 K CB 0.508 33.069 32.500 0.102 0.000 0.966 228 K HN 0.286 nan 8.250 nan 0.000 0.480 229 P HA -0.005 nan 4.420 nan 0.000 0.267 229 P C -0.611 176.789 177.300 0.166 0.000 1.200 229 P CA 0.040 63.201 63.100 0.102 0.000 0.772 229 P CB 0.498 32.247 31.700 0.082 0.000 0.855 230 R N 1.540 122.128 120.500 0.148 0.000 2.590 230 R HA 0.075 4.391 4.340 -0.039 0.000 0.274 230 R C -0.104 176.380 176.300 0.308 0.000 1.061 230 R CA -0.022 56.195 56.100 0.196 0.000 1.081 230 R CB -0.072 30.303 30.300 0.125 0.000 0.984 230 R HN 0.532 nan 8.270 nan 0.000 0.448 231 W N 1.389 122.726 121.300 0.062 0.000 2.181 231 W HA -0.047 4.589 4.660 -0.039 0.000 0.335 231 W C 0.884 177.491 176.519 0.146 0.000 1.310 231 W CA -0.066 57.341 57.345 0.104 0.000 1.226 231 W CB 0.145 29.670 29.460 0.109 0.000 1.155 231 W HN 0.421 nan 8.180 nan 0.000 0.565 232 D N 3.251 123.792 120.400 0.234 0.000 2.688 232 D HA 0.020 4.637 4.640 -0.039 0.000 0.228 232 D C -1.126 175.344 176.300 0.283 0.000 1.116 232 D CA -0.045 54.061 54.000 0.177 0.000 1.023 232 D CB -0.667 40.166 40.800 0.056 0.000 1.100 232 D HN 0.289 nan 8.370 nan 0.000 0.487 233 W N 2.189 123.593 121.300 0.173 0.000 2.739 233 W HA 0.440 5.077 4.660 -0.038 0.000 0.331 233 W C -1.331 175.267 176.519 0.131 0.000 1.049 233 W CA -0.665 56.797 57.345 0.195 0.000 1.234 233 W CB 1.208 30.868 29.460 0.334 0.000 1.404 233 W HN -0.056 nan 8.180 nan 0.000 0.477 234 Q N 5.663 125.027 119.800 -0.726 0.000 2.347 234 Q HA 0.475 4.791 4.340 -0.039 0.000 0.271 234 Q C -2.351 172.909 176.000 -1.232 0.000 1.064 234 Q CA -1.894 53.459 55.803 -0.751 0.000 0.800 234 Q CB 2.042 30.580 28.738 -0.334 0.000 1.304 234 Q HN 0.206 nan 8.270 nan 0.000 0.438 235 P HA 0.043 nan 4.420 nan 0.000 0.271 235 P C -0.747 176.372 177.300 -0.303 0.000 1.216 235 P CA -0.348 62.399 63.100 -0.589 0.000 0.776 235 P CB 0.611 32.188 31.700 -0.205 0.000 0.881 236 E N 3.559 123.654 120.200 -0.174 0.000 2.351 236 E HA 0.095 4.421 4.350 -0.039 0.000 0.266 236 E C -1.557 175.006 176.600 -0.061 0.000 1.031 236 E CA -1.045 55.296 56.400 -0.097 0.000 0.911 236 E CB -0.426 29.250 29.700 -0.040 0.000 0.986 236 E HN 0.416 nan 8.360 nan 0.000 0.446 237 P HA 0.069 nan 4.420 nan 0.000 0.269 237 P C 0.159 177.447 177.300 -0.019 0.000 1.215 237 P CA -0.123 62.954 63.100 -0.039 0.000 0.780 237 P CB 0.382 32.058 31.700 -0.039 0.000 0.898 258 Y N -0.701 119.606 120.300 0.012 0.000 2.230 258 Y HA 0.388 4.914 4.550 -0.039 0.000 0.294 258 Y C 2.414 178.320 175.900 0.010 0.000 1.120 258 Y CA 1.830 59.937 58.100 0.011 0.000 1.129 258 Y CB -0.701 37.765 38.460 0.009 0.000 1.040 258 Y HN 0.872 nan 8.280 nan 0.000 0.519 259 R N 0.615 121.121 120.500 0.009 0.000 2.310 259 R HA 0.510 4.827 4.340 -0.039 0.000 0.202 259 R C 1.028 177.333 176.300 0.008 0.000 0.933 259 R CA 0.493 56.597 56.100 0.007 0.000 1.054 259 R CB -1.819 28.485 30.300 0.006 0.000 0.985 259 R HN 1.283 nan 8.270 nan 0.000 0.489 260 I N 1.432 122.008 120.570 0.011 0.000 2.453 260 I HA 0.617 4.764 4.170 -0.039 0.000 0.300 260 I C 1.666 177.791 176.117 0.013 0.000 1.159 260 I CA 0.601 61.908 61.300 0.012 0.000 1.379 260 I CB -0.925 37.083 38.000 0.014 0.000 1.460 260 I HN 0.600 nan 8.210 nan 0.000 0.601 261 T N 2.278 116.838 114.554 0.010 0.000 2.939 261 T HA 0.320 4.646 4.350 -0.039 0.000 0.254 261 T C 1.200 175.906 174.700 0.011 0.000 1.041 261 T CA 1.055 63.161 62.100 0.010 0.000 1.142 261 T CB -0.478 68.394 68.868 0.006 0.000 0.874 261 T HN 1.193 nan 8.240 nan 0.000 0.452 262 D N 1.028 121.434 120.400 0.010 0.000 2.383 262 D HA 0.522 5.139 4.640 -0.039 0.000 0.252 262 D C 1.383 177.693 176.300 0.017 0.000 1.166 262 D CA 0.377 54.384 54.000 0.011 0.000 0.879 262 D CB 0.048 40.853 40.800 0.008 0.000 1.164 262 D HN 0.655 nan 8.370 nan 0.000 0.462 263 K N 0.324 120.736 120.400 0.020 0.000 2.148 263 K HA 0.119 4.416 4.320 -0.039 0.000 0.204 263 K C 2.647 179.263 176.600 0.027 0.000 1.050 263 K CA 2.086 58.390 56.287 0.028 0.000 0.942 263 K CB -1.212 31.309 32.500 0.035 0.000 0.724 263 K HN 0.871 nan 8.250 nan 0.000 0.446 264 Q N -0.373 119.440 119.800 0.022 0.000 2.172 264 Q HA 0.041 4.358 4.340 -0.039 0.000 0.200 264 Q C 2.302 178.312 176.000 0.017 0.000 0.964 264 Q CA 1.977 57.792 55.803 0.020 0.000 0.855 264 Q CB -1.031 27.716 28.738 0.016 0.000 0.918 264 Q HN 0.904 nan 8.270 nan 0.000 0.444 265 E N 0.163 120.372 120.200 0.014 0.000 2.230 265 E HA 0.073 4.399 4.350 -0.039 0.000 0.192 265 E C 2.243 178.851 176.600 0.014 0.000 0.987 265 E CA 1.554 57.961 56.400 0.012 0.000 0.841 265 E CB -0.905 28.800 29.700 0.010 0.000 0.783 265 E HN 0.857 nan 8.360 nan 0.000 0.481 266 R N -0.956 119.554 120.500 0.017 0.000 2.062 266 R HA 0.058 4.375 4.340 -0.039 0.000 0.229 266 R C 2.687 178.999 176.300 0.020 0.000 1.128 266 R CA 2.262 58.374 56.100 0.019 0.000 0.960 266 R CB -1.934 28.380 30.300 0.023 0.000 0.855 266 R HN 1.013 nan 8.270 nan 0.000 0.432 267 Y N -0.349 119.965 120.300 0.022 0.000 2.352 267 Y HA 0.341 4.867 4.550 -0.039 0.000 0.292 267 Y C 2.912 178.822 175.900 0.017 0.000 1.136 267 Y CA 1.480 59.593 58.100 0.021 0.000 1.227 267 Y CB -0.937 37.539 38.460 0.026 0.000 0.991 267 Y HN 0.640 nan 8.280 nan 0.000 0.545 268 A N -0.495 122.334 122.820 0.015 0.000 1.930 268 A HA 0.129 4.426 4.320 -0.039 0.000 0.215 268 A C 2.090 179.680 177.584 0.011 0.000 1.176 268 A CA 1.945 53.989 52.037 0.013 0.000 0.632 268 A CB -1.016 17.991 19.000 0.012 0.000 0.819 268 A HN 1.018 nan 8.150 nan 0.000 0.445 269 Q N -1.028 118.779 119.800 0.012 0.000 2.403 269 Q HA 0.537 4.854 4.340 -0.039 0.000 0.203 269 Q C 1.787 177.794 176.000 0.011 0.000 0.932 269 Q CA 1.060 56.869 55.803 0.011 0.000 0.945 269 Q CB -1.230 27.514 28.738 0.010 0.000 1.045 269 Q HN 1.183 nan 8.270 nan 0.000 0.511 270 V N -0.335 119.586 119.914 0.012 0.000 3.406 270 V HA 0.253 4.350 4.120 -0.039 0.000 0.263 270 V C 1.406 177.506 176.094 0.011 0.000 1.172 270 V CA 1.254 63.562 62.300 0.013 0.000 1.140 270 V CB -0.949 30.883 31.823 0.015 0.000 0.784 270 V HN 0.594 nan 8.190 nan 0.000 0.467 271 D N 0.772 121.179 120.400 0.010 0.000 2.489 271 D HA 0.555 5.172 4.640 -0.039 0.000 0.237 271 D C 0.129 176.435 176.300 0.010 0.000 1.212 271 D CA 0.642 54.647 54.000 0.010 0.000 1.058 271 D CB -0.286 40.520 40.800 0.009 0.000 1.098 271 D HN 1.200 nan 8.370 nan 0.000 0.509 272 V N 0.232 120.152 119.914 0.010 0.000 2.649 272 V HA 0.618 4.714 4.120 -0.039 0.000 0.292 272 V C 2.143 178.243 176.094 0.010 0.000 1.055 272 V CA 0.300 62.606 62.300 0.010 0.000 1.023 272 V CB 0.872 32.701 31.823 0.010 0.000 0.992 272 V HN 0.795 nan 8.190 nan 0.000 0.480 273 I N 3.156 123.732 120.570 0.009 0.000 2.277 273 I HA 0.454 4.600 4.170 -0.039 0.000 0.243 273 I C 1.607 177.730 176.117 0.010 0.000 1.094 273 I CA 2.836 64.142 61.300 0.009 0.000 1.393 273 I CB -1.617 36.389 38.000 0.008 0.000 1.078 273 I HN 2.381 nan 8.210 nan 0.000 0.417 299 A N 1.070 123.909 122.820 0.032 0.000 1.930 299 A HA 0.340 4.637 4.320 -0.039 0.000 0.217 299 A C 2.639 180.242 177.584 0.031 0.000 1.175 299 A CA 3.186 55.243 52.037 0.035 0.000 0.627 299 A CB -1.163 17.858 19.000 0.035 0.000 0.815 299 A HN 1.622 nan 8.150 nan 0.000 0.443 300 I N -0.794 119.793 120.570 0.027 0.000 2.500 300 I HA 0.222 4.368 4.170 -0.039 0.000 0.252 300 I C 2.460 178.593 176.117 0.026 0.000 1.142 300 I CA 2.119 63.434 61.300 0.025 0.000 1.451 300 I CB -1.928 36.085 38.000 0.021 0.000 1.093 300 I HN 0.624 nan 8.210 nan 0.000 0.430 301 E N 0.574 120.791 120.200 0.028 0.000 2.150 301 E HA -0.248 4.079 4.350 -0.039 0.000 0.193 301 E C 2.268 178.891 176.600 0.038 0.000 0.985 301 E CA 1.507 57.925 56.400 0.030 0.000 0.814 301 E CB -0.627 29.090 29.700 0.028 0.000 0.752 301 E HN 0.862 nan 8.360 nan 0.000 0.466 302 K N 0.112 120.536 120.400 0.041 0.000 2.044 302 K HA -0.115 4.182 4.320 -0.039 0.000 0.204 302 K C 2.314 178.938 176.600 0.040 0.000 1.049 302 K CA 1.022 57.338 56.287 0.048 0.000 0.945 302 K CB -0.116 32.416 32.500 0.052 0.000 0.724 302 K HN 0.295 nan 8.250 nan 0.000 0.440 303 N N 0.874 119.594 118.700 0.034 0.000 2.166 303 N HA -0.156 4.561 4.740 -0.039 0.000 0.186 303 N C 1.800 177.326 175.510 0.026 0.000 1.019 303 N CA 1.021 54.088 53.050 0.030 0.000 0.856 303 N CB -0.014 38.489 38.487 0.026 0.000 0.993 303 N HN 0.120 nan 8.380 nan 0.000 0.426 304 V N 0.528 120.458 119.914 0.026 0.000 2.358 304 V HA -0.130 3.967 4.120 -0.039 0.000 0.246 304 V C 2.246 178.354 176.094 0.024 0.000 1.047 304 V CA 1.236 63.550 62.300 0.023 0.000 1.035 304 V CB -0.139 31.697 31.823 0.021 0.000 0.658 304 V HN 0.088 nan 8.190 nan 0.000 0.452 305 V N 0.223 120.154 119.914 0.028 0.000 2.379 305 V HA -0.131 3.966 4.120 -0.039 0.000 0.245 305 V C 2.742 178.853 176.094 0.028 0.000 1.044 305 V CA 1.840 64.157 62.300 0.029 0.000 1.036 305 V CB -0.897 30.947 31.823 0.036 0.000 0.664 305 V HN 0.434 nan 8.190 nan 0.000 0.453 306 R N 1.103 121.621 120.500 0.031 0.000 2.094 306 R HA -0.186 4.130 4.340 -0.039 0.000 0.239 306 R C 2.670 178.986 176.300 0.026 0.000 1.137 306 R CA 2.173 58.291 56.100 0.031 0.000 0.943 306 R CB -0.969 29.350 30.300 0.033 0.000 0.850 306 R HN 0.714 nan 8.270 nan 0.000 0.433 307 S N 0.192 115.906 115.700 0.023 0.000 2.406 307 S HA -0.055 4.391 4.470 -0.039 0.000 0.228 307 S C 1.772 176.381 174.600 0.015 0.000 1.020 307 S CA 0.600 58.811 58.200 0.018 0.000 0.965 307 S CB -0.188 63.022 63.200 0.017 0.000 0.798 307 S HN 0.279 nan 8.310 nan 0.000 0.488 308 R N 0.415 120.924 120.500 0.015 0.000 2.323 308 R HA 0.237 4.553 4.340 -0.039 0.000 0.198 308 R C 0.804 177.110 176.300 0.011 0.000 0.988 308 R CA 0.436 56.543 56.100 0.012 0.000 1.041 308 R CB -0.046 30.262 30.300 0.013 0.000 0.926 308 R HN 0.382 nan 8.270 nan 0.000 0.476 309 V N -0.653 119.269 119.914 0.014 0.000 3.359 309 V HA -0.007 4.089 4.120 -0.039 0.000 0.245 309 V C 1.749 177.850 176.094 0.012 0.000 1.247 309 V CA 0.309 62.617 62.300 0.013 0.000 1.145 309 V CB 0.165 31.999 31.823 0.019 0.000 0.906 309 V HN 0.180 nan 8.190 nan 0.000 0.464 310 L N 0.756 121.988 121.223 0.016 0.000 2.093 310 L HA -0.080 4.236 4.340 -0.039 0.000 0.208 310 L C 2.676 179.548 176.870 0.003 0.000 1.085 310 L CA 1.710 56.559 54.840 0.014 0.000 0.755 310 L CB -0.517 41.554 42.059 0.021 0.000 0.904 310 L HN 0.389 nan 8.230 nan 0.000 0.435 311 A N -0.550 122.271 122.820 0.003 0.000 1.929 311 A HA 0.133 4.430 4.320 -0.039 0.000 0.216 311 A C 1.632 179.212 177.584 -0.007 0.000 1.176 311 A CA 1.280 53.316 52.037 -0.001 0.000 0.628 311 A CB -0.470 18.531 19.000 0.001 0.000 0.816 311 A HN 0.521 nan 8.150 nan 0.000 0.444 312 G N -0.156 108.640 108.800 -0.006 0.000 2.237 312 G HA2 -0.064 3.873 3.960 -0.039 0.000 0.153 312 G HA3 -0.064 3.873 3.960 -0.039 0.000 0.153 312 G C -0.345 174.550 174.900 -0.008 0.000 1.039 312 G CA 0.130 45.224 45.100 -0.010 0.000 0.719 312 G HN 1.011 nan 8.290 nan 0.000 0.491 313 E N -0.036 120.162 120.200 -0.003 0.000 2.235 313 E HA 0.741 5.068 4.350 -0.039 0.000 0.265 313 E C -2.525 174.074 176.600 -0.001 0.000 0.940 313 E CA -2.539 53.860 56.400 -0.002 0.000 0.819 313 E CB 1.692 31.392 29.700 -0.000 0.000 1.206 313 E HN -0.005 nan 8.360 nan 0.000 0.409 314 P HA -0.142 nan 4.420 nan 0.000 0.264 314 P C -0.514 176.787 177.300 0.003 0.000 1.156 314 P CA 0.643 63.742 63.100 -0.000 0.000 0.756 314 P CB 0.343 32.043 31.700 0.000 0.000 0.764 315 R N 2.067 122.569 120.500 0.003 0.000 2.896 315 R HA 0.176 4.492 4.340 -0.039 0.000 0.283 315 R C 2.057 178.362 176.300 0.008 0.000 1.201 315 R CA -0.553 55.550 56.100 0.006 0.000 1.178 315 R CB -0.096 30.207 30.300 0.004 0.000 1.152 315 R HN 0.377 nan 8.270 nan 0.000 0.590 316 I N 0.871 121.448 120.570 0.012 0.000 2.151 316 I HA -0.331 3.815 4.170 -0.039 0.000 0.243 316 I C 1.815 177.939 176.117 0.012 0.000 1.080 316 I CA 1.692 63.001 61.300 0.015 0.000 1.339 316 I CB -0.500 37.512 38.000 0.021 0.000 1.039 316 I HN 0.706 nan 8.210 nan 0.000 0.409 317 D N 0.746 121.152 120.400 0.010 0.000 2.323 317 D HA 0.025 4.641 4.640 -0.039 0.000 0.209 317 D C 1.283 177.586 176.300 0.005 0.000 0.973 317 D CA 0.934 54.938 54.000 0.008 0.000 0.874 317 D CB 0.097 40.901 40.800 0.007 0.000 0.930 317 D HN 0.398 nan 8.370 nan 0.000 0.521 318 G N 0.583 109.385 108.800 0.004 0.000 2.842 318 G HA2 -0.169 3.767 3.960 -0.039 0.000 0.242 318 G HA3 -0.169 3.767 3.960 -0.039 0.000 0.242 318 G C -0.398 174.501 174.900 -0.001 0.000 1.135 318 G CA -0.486 44.615 45.100 0.001 0.000 1.048 318 G HN 0.373 nan 8.290 nan 0.000 0.530 319 R N -0.618 119.880 120.500 -0.003 0.000 2.808 319 R HA 0.570 4.886 4.340 -0.039 0.000 0.272 319 R C -0.073 176.222 176.300 -0.008 0.000 0.995 319 R CA -0.973 55.123 56.100 -0.007 0.000 0.917 319 R CB 1.920 32.216 30.300 -0.007 0.000 1.217 319 R HN 0.384 nan 8.270 nan 0.000 0.471 320 E N 1.487 121.679 120.200 -0.013 0.000 2.371 320 E HA 0.011 4.338 4.350 -0.039 0.000 0.257 320 E C 0.521 177.112 176.600 -0.015 0.000 1.134 320 E CA -0.206 56.185 56.400 -0.015 0.000 0.919 320 E CB 0.922 30.610 29.700 -0.020 0.000 1.025 320 E HN 0.560 nan 8.360 nan 0.000 0.438 321 K N 1.397 121.789 120.400 -0.013 0.000 2.211 321 K HA -0.173 4.124 4.320 -0.039 0.000 0.204 321 K C 0.364 176.957 176.600 -0.011 0.000 1.047 321 K CA 1.773 58.055 56.287 -0.009 0.000 0.935 321 K CB -0.006 32.490 32.500 -0.006 0.000 0.728 321 K HN 0.417 nan 8.250 nan 0.000 0.452 322 D N 0.330 120.719 120.400 -0.019 0.000 2.670 322 D HA 0.134 4.751 4.640 -0.039 0.000 0.255 322 D C -0.178 176.096 176.300 -0.044 0.000 1.286 322 D CA -0.258 53.727 54.000 -0.024 0.000 0.830 322 D CB -0.003 40.784 40.800 -0.021 0.000 1.065 322 D HN 0.158 nan 8.370 nan 0.000 0.486 323 M N 0.818 120.395 119.600 -0.039 0.000 2.300 323 M HA 0.356 4.812 4.480 -0.039 0.000 0.348 323 M C -0.451 175.831 176.300 -0.030 0.000 1.151 323 M CA -0.774 54.496 55.300 -0.050 0.000 1.046 323 M CB 2.271 34.849 32.600 -0.037 0.000 1.647 323 M HN -0.161 nan 8.290 nan 0.000 0.451 324 I N 2.523 123.075 120.570 -0.031 0.000 2.437 324 I HA 0.421 4.568 4.170 -0.039 0.000 0.298 324 I C 0.528 176.670 176.117 0.040 0.000 0.984 324 I CA -0.586 60.732 61.300 0.031 0.000 1.214 324 I CB 1.073 39.144 38.000 0.117 0.000 1.365 324 I HN 0.715 nan 8.210 nan 0.000 0.469 325 R N 2.164 122.686 120.500 0.037 0.000 2.774 325 R HA 0.282 4.598 4.340 -0.039 0.000 0.269 325 R C 0.598 176.910 176.300 0.020 0.000 1.068 325 R CA -0.219 55.893 56.100 0.020 0.000 1.180 325 R CB 0.279 30.584 30.300 0.007 0.000 1.077 325 R HN 0.872 nan 8.270 nan 0.000 0.513 326 G N 1.417 110.215 108.800 -0.003 0.000 2.305 326 G HA2 0.178 4.114 3.960 -0.039 0.000 0.243 326 G HA3 0.178 4.114 3.960 -0.039 0.000 0.243 326 G C -0.375 174.484 174.900 -0.070 0.000 1.288 326 G CA -0.319 44.770 45.100 -0.018 0.000 0.901 326 G HN 0.276 nan 8.290 nan 0.000 0.516 327 L N 2.504 123.678 121.223 -0.082 0.000 2.317 327 L HA 0.434 4.750 4.340 -0.039 0.000 0.281 327 L C -0.228 176.533 176.870 -0.181 0.000 1.024 327 L CA -0.718 54.013 54.840 -0.183 0.000 0.810 327 L CB 1.994 43.969 42.059 -0.140 0.000 1.240 327 L HN 0.432 nan 8.230 nan 0.000 0.427 328 D N 2.798 123.034 120.400 -0.273 0.000 2.542 328 D HA 0.371 4.988 4.640 -0.039 0.000 0.252 328 D C -1.502 174.682 176.300 -0.194 0.000 1.222 328 D CA -0.236 53.656 54.000 -0.181 0.000 0.895 328 D CB 2.440 43.158 40.800 -0.136 0.000 1.207 328 D HN 0.113 nan 8.370 nan 0.000 0.558 329 V N 4.801 124.669 119.914 -0.078 0.000 2.448 329 V HA 0.551 4.647 4.120 -0.039 0.000 0.295 329 V C 0.127 176.240 176.094 0.032 0.000 1.025 329 V CA -0.594 61.721 62.300 0.026 0.000 0.859 329 V CB 1.728 33.612 31.823 0.102 0.000 0.988 329 V HN 0.411 nan 8.190 nan 0.000 0.431 330 R N 2.342 122.874 120.500 0.053 0.000 2.686 330 R HA 0.787 5.103 4.340 -0.039 0.000 0.283 330 R C -1.101 175.229 176.300 0.050 0.000 0.978 330 R CA -0.633 55.490 56.100 0.037 0.000 0.897 330 R CB 2.573 32.885 30.300 0.020 0.000 1.192 330 R HN 0.699 nan 8.270 nan 0.000 0.457 331 T N 0.301 114.877 114.554 0.036 0.000 2.881 331 T HA 0.511 4.838 4.350 -0.039 0.000 0.290 331 T C 0.268 174.983 174.700 0.024 0.000 1.000 331 T CA -0.275 61.846 62.100 0.035 0.000 0.978 331 T CB 1.801 70.689 68.868 0.033 0.000 0.997 331 T HN 0.843 nan 8.240 nan 0.000 0.443 332 G N 1.225 110.040 108.800 0.024 0.000 2.255 332 G HA2 -0.201 3.736 3.960 -0.039 0.000 0.239 332 G HA3 -0.201 3.736 3.960 -0.039 0.000 0.239 332 G C 0.680 175.587 174.900 0.013 0.000 1.083 332 G CA 0.124 45.235 45.100 0.018 0.000 0.826 332 G HN 0.917 nan 8.290 nan 0.000 0.493 333 V N -0.705 119.216 119.914 0.013 0.000 3.235 333 V HA 0.532 4.628 4.120 -0.039 0.000 0.259 333 V C 0.987 177.081 176.094 0.001 0.000 1.133 333 V CA 1.149 63.454 62.300 0.008 0.000 1.128 333 V CB -0.064 31.765 31.823 0.011 0.000 0.757 333 V HN 0.412 nan 8.190 nan 0.000 0.469 334 L N 0.997 122.219 121.223 -0.001 0.000 2.356 334 L HA 0.458 4.775 4.340 -0.039 0.000 0.277 334 L C -1.453 175.410 176.870 -0.012 0.000 0.996 334 L CA -1.653 53.181 54.840 -0.010 0.000 0.822 334 L CB 1.859 43.909 42.059 -0.015 0.000 1.256 334 L HN 0.012 nan 8.230 nan 0.000 0.413 335 P HA -0.094 nan 4.420 nan 0.000 0.211 335 P C 0.632 177.920 177.300 -0.021 0.000 1.179 335 P CA 1.076 64.168 63.100 -0.014 0.000 0.910 335 P CB 0.232 31.924 31.700 -0.014 0.000 0.785 336 R N -0.406 120.073 120.500 -0.035 0.000 2.978 336 R HA 0.277 4.594 4.340 -0.039 0.000 0.298 336 R C 0.429 176.671 176.300 -0.096 0.000 1.296 336 R CA 0.138 56.207 56.100 -0.052 0.000 1.181 336 R CB -0.840 29.432 30.300 -0.047 0.000 1.348 336 R HN 0.220 nan 8.270 nan 0.000 0.585 337 T N -1.950 112.550 114.554 -0.091 0.000 2.950 337 T HA 0.273 4.600 4.350 -0.039 0.000 0.288 337 T C 1.234 175.871 174.700 -0.105 0.000 1.035 337 T CA -0.458 61.550 62.100 -0.154 0.000 1.028 337 T CB 1.238 70.052 68.868 -0.089 0.000 1.109 337 T HN 0.393 nan 8.240 nan 0.000 0.514 338 H N 1.421 120.492 119.070 0.001 0.000 2.256 338 H HA 0.260 4.792 4.556 -0.040 0.000 0.301 338 H C 1.202 176.533 175.328 0.006 0.000 1.062 338 H CA 0.718 56.768 56.048 0.004 0.000 1.283 338 H CB -0.015 29.753 29.762 0.010 0.000 1.379 338 H HN 0.615 nan 8.280 nan 0.000 0.493 339 G N -0.379 108.508 108.800 0.145 0.000 2.666 339 G HA2 0.473 4.409 3.960 -0.039 0.000 0.303 339 G HA3 0.473 4.409 3.960 -0.039 0.000 0.303 339 G C -1.171 173.758 174.900 0.048 0.000 1.412 339 G CA -0.380 44.769 45.100 0.083 0.000 0.979 339 G HN 0.423 nan 8.290 nan 0.000 0.507 340 S N 0.170 115.891 115.700 0.036 0.000 2.546 340 S HA 0.912 5.359 4.470 -0.039 0.000 0.274 340 S C -0.625 173.995 174.600 0.033 0.000 1.121 340 S CA -0.365 57.850 58.200 0.026 0.000 0.887 340 S CB 2.226 65.434 63.200 0.014 0.000 1.094 340 S HN 2.116 nan 8.310 nan 0.000 0.474 341 A N 1.500 124.344 122.820 0.040 0.000 2.540 341 A HA 0.722 5.019 4.320 -0.039 0.000 0.297 341 A C -1.804 175.827 177.584 0.078 0.000 1.056 341 A CA -0.600 51.473 52.037 0.061 0.000 0.700 341 A CB 1.496 20.537 19.000 0.069 0.000 1.280 341 A HN 1.296 nan 8.150 nan 0.000 0.398 342 L N 2.273 123.550 121.223 0.089 0.000 2.319 342 L HA 0.797 5.114 4.340 -0.039 0.000 0.281 342 L C -1.501 175.461 176.870 0.153 0.000 1.005 342 L CA -0.423 54.475 54.840 0.096 0.000 0.828 342 L CB 0.867 42.954 42.059 0.046 0.000 1.227 342 L HN 0.627 nan 8.230 nan 0.000 0.415 343 F N 3.951 123.910 119.950 0.015 0.000 2.449 343 F HA 0.675 5.179 4.527 -0.039 0.000 0.342 343 F C -0.410 175.400 175.800 0.017 0.000 1.127 343 F CA -0.137 57.874 58.000 0.018 0.000 0.975 343 F CB 1.545 40.563 39.000 0.030 0.000 1.146 343 F HN 0.484 nan 8.300 nan 0.000 0.444 344 T N 6.410 120.647 114.554 -0.528 0.000 2.792 344 T HA 0.429 4.756 4.350 -0.039 0.000 0.280 344 T C -0.685 173.686 174.700 -0.548 0.000 0.990 344 T CA -0.727 61.150 62.100 -0.371 0.000 0.960 344 T CB 1.444 70.192 68.868 -0.199 0.000 0.939 344 T HN 0.626 nan 8.240 nan 0.000 0.439 345 R N 2.098 122.419 120.500 -0.298 0.000 2.487 345 R HA 0.502 4.819 4.340 -0.039 0.000 0.288 345 R C 1.039 177.297 176.300 -0.069 0.000 1.394 345 R CA 0.368 56.356 56.100 -0.188 0.000 1.155 345 R CB -0.194 30.083 30.300 -0.039 0.000 1.156 345 R HN 0.990 nan 8.270 nan 0.000 0.553 346 G N 2.958 111.716 108.800 -0.070 0.000 3.274 346 G HA2 -0.379 3.558 3.960 -0.039 0.000 0.313 346 G HA3 -0.379 3.558 3.960 -0.039 0.000 0.313 346 G C 0.438 175.321 174.900 -0.027 0.000 1.295 346 G CA 0.597 45.677 45.100 -0.034 0.000 1.004 346 G HN 0.607 nan 8.290 nan 0.000 0.614 347 E N 0.860 121.054 120.200 -0.010 0.000 2.660 347 E HA 0.301 4.627 4.350 -0.039 0.000 0.216 347 E C -0.448 176.157 176.600 0.007 0.000 0.986 347 E CA 0.303 56.702 56.400 -0.002 0.000 1.037 347 E CB 1.020 30.724 29.700 0.008 0.000 1.041 347 E HN 0.350 nan 8.360 nan 0.000 0.480 348 T N 1.062 115.623 114.554 0.011 0.000 2.779 348 T HA 0.351 4.678 4.350 -0.039 0.000 0.280 348 T C -0.578 174.140 174.700 0.031 0.000 0.987 348 T CA -0.498 61.623 62.100 0.035 0.000 0.966 348 T CB 2.119 71.028 68.868 0.070 0.000 0.933 348 T HN -0.031 nan 8.240 nan 0.000 0.442 349 Q N 1.364 121.184 119.800 0.034 0.000 2.359 349 Q HA 0.705 5.022 4.340 -0.039 0.000 0.274 349 Q C -1.968 174.067 176.000 0.059 0.000 1.074 349 Q CA -0.930 54.896 55.803 0.039 0.000 0.810 349 Q CB 2.054 30.796 28.738 0.006 0.000 1.342 349 Q HN 0.816 nan 8.270 nan 0.000 0.427 350 A N 3.428 126.313 122.820 0.109 0.000 2.381 350 A HA 0.557 4.854 4.320 -0.039 0.000 0.299 350 A C -1.842 175.793 177.584 0.085 0.000 1.049 350 A CA -0.574 51.515 52.037 0.088 0.000 0.715 350 A CB 1.189 20.271 19.000 0.136 0.000 1.222 350 A HN 0.656 nan 8.150 nan 0.000 0.428 351 L N 3.980 125.223 121.223 0.034 0.000 2.255 351 L HA 0.689 5.005 4.340 -0.039 0.000 0.289 351 L C -1.055 175.823 176.870 0.013 0.000 1.046 351 L CA -0.105 54.753 54.840 0.031 0.000 0.816 351 L CB 1.138 43.207 42.059 0.017 0.000 1.197 351 L HN 0.441 nan 8.230 nan 0.000 0.427 352 V N 3.298 123.226 119.914 0.025 0.000 2.628 352 V HA 0.743 4.840 4.120 -0.039 0.000 0.306 352 V C 0.090 176.181 176.094 -0.005 0.000 1.045 352 V CA -0.336 61.964 62.300 -0.000 0.000 0.905 352 V CB 2.006 33.841 31.823 0.020 0.000 0.997 352 V HN 0.847 nan 8.190 nan 0.000 0.436 353 T N 0.682 115.217 114.554 -0.031 0.000 2.906 353 T HA 0.909 5.236 4.350 -0.039 0.000 0.295 353 T C -0.542 174.150 174.700 -0.013 0.000 1.061 353 T CA -0.637 61.454 62.100 -0.016 0.000 1.000 353 T CB 2.143 70.996 68.868 -0.025 0.000 1.103 353 T HN 1.164 nan 8.240 nan 0.000 0.486 354 A N 1.365 124.204 122.820 0.033 0.000 2.386 354 A HA 0.832 5.129 4.320 -0.039 0.000 0.311 354 A C -0.265 177.409 177.584 0.149 0.000 1.068 354 A CA -0.882 51.201 52.037 0.076 0.000 0.743 354 A CB 1.490 20.548 19.000 0.096 0.000 1.258 354 A HN 0.920 nan 8.150 nan 0.000 0.429 355 T N 2.250 116.913 114.554 0.182 0.000 2.881 355 T HA 0.549 4.876 4.350 -0.039 0.000 0.290 355 T C -0.647 174.203 174.700 0.251 0.000 1.000 355 T CA -0.241 62.064 62.100 0.342 0.000 0.978 355 T CB 0.877 69.847 68.868 0.169 0.000 0.997 355 T HN 0.469 nan 8.240 nan 0.000 0.443 356 L N 2.614 123.920 121.223 0.139 0.000 2.282 356 L HA 0.794 5.110 4.340 -0.039 0.000 0.288 356 L C 0.747 177.615 176.870 -0.004 0.000 1.033 356 L CA -0.458 54.350 54.840 -0.053 0.000 0.807 356 L CB 1.321 43.186 42.059 -0.323 0.000 1.209 356 L HN 0.837 nan 8.230 nan 0.000 0.423 357 G N 0.637 109.476 108.800 0.065 0.000 2.733 357 G HA2 0.465 4.402 3.960 -0.039 0.000 0.288 357 G HA3 0.465 4.402 3.960 -0.039 0.000 0.288 357 G C -0.981 173.985 174.900 0.110 0.000 1.373 357 G CA -0.399 44.747 45.100 0.076 0.000 0.895 357 G HN 0.358 nan 8.290 nan 0.000 0.479 358 T N -0.817 113.791 114.554 0.091 0.000 2.766 358 T HA 0.407 4.734 4.350 -0.039 0.000 0.295 358 T C 1.936 176.668 174.700 0.053 0.000 1.024 358 T CA 0.758 62.912 62.100 0.090 0.000 1.018 358 T CB 0.708 69.610 68.868 0.056 0.000 1.002 358 T HN 1.032 nan 8.240 nan 0.000 0.532 359 A N 1.979 124.805 122.820 0.009 0.000 2.070 359 A HA 0.050 4.347 4.320 -0.039 0.000 0.220 359 A C 2.538 180.126 177.584 0.006 0.000 1.159 359 A CA 2.049 54.080 52.037 -0.010 0.000 0.656 359 A CB -0.977 17.992 19.000 -0.051 0.000 0.800 359 A HN 0.983 nan 8.150 nan 0.000 0.453 360 R N -0.018 120.487 120.500 0.009 0.000 2.236 360 R HA -0.036 4.281 4.340 -0.039 0.000 0.208 360 R C 1.332 177.642 176.300 0.016 0.000 1.036 360 R CA 1.406 57.511 56.100 0.009 0.000 1.001 360 R CB -1.023 29.281 30.300 0.006 0.000 0.896 360 R HN 0.563 nan 8.270 nan 0.000 0.464 361 D N 0.446 120.862 120.400 0.027 0.000 2.363 361 D HA 0.156 4.773 4.640 -0.039 0.000 0.226 361 D C 0.471 176.790 176.300 0.033 0.000 1.020 361 D CA 0.750 54.769 54.000 0.031 0.000 0.892 361 D CB -0.003 40.822 40.800 0.042 0.000 0.900 361 D HN 0.606 nan 8.370 nan 0.000 0.531 362 A N 0.847 123.688 122.820 0.035 0.000 2.477 362 A HA 0.050 4.347 4.320 -0.039 0.000 0.246 362 A C 0.547 178.148 177.584 0.028 0.000 1.078 362 A CA -0.189 51.872 52.037 0.040 0.000 0.770 362 A CB 0.219 19.244 19.000 0.042 0.000 1.011 362 A HN 0.080 nan 8.150 nan 0.000 0.494 363 Q N 2.280 122.098 119.800 0.030 0.000 2.296 363 Q HA 0.331 4.647 4.340 -0.039 0.000 0.263 363 Q C -1.038 174.976 176.000 0.023 0.000 1.026 363 Q CA -0.211 55.605 55.803 0.021 0.000 0.912 363 Q CB 0.415 29.165 28.738 0.020 0.000 1.198 363 Q HN 0.527 nan 8.270 nan 0.000 0.407 364 V N 7.120 127.043 119.914 0.015 0.000 2.356 364 V HA 0.162 4.259 4.120 -0.039 0.000 0.258 364 V C 0.067 176.169 176.094 0.012 0.000 1.065 364 V CA -0.234 62.074 62.300 0.013 0.000 0.935 364 V CB 0.387 32.212 31.823 0.005 0.000 1.061 364 V HN 0.697 nan 8.190 nan 0.000 0.484 365 L N 4.252 125.487 121.223 0.021 0.000 2.255 365 L HA 0.386 4.702 4.340 -0.039 0.000 0.289 365 L C 0.257 177.142 176.870 0.025 0.000 1.046 365 L CA -0.387 54.467 54.840 0.024 0.000 0.816 365 L CB 1.024 43.104 42.059 0.035 0.000 1.197 365 L HN 0.520 nan 8.230 nan 0.000 0.427 366 D N 4.151 124.564 120.400 0.022 0.000 2.435 366 D HA 0.101 4.718 4.640 -0.039 0.000 0.230 366 D C -0.001 176.321 176.300 0.036 0.000 1.215 366 D CA 0.057 54.072 54.000 0.025 0.000 0.947 366 D CB 0.409 41.221 40.800 0.021 0.000 1.048 366 D HN 0.435 nan 8.370 nan 0.000 0.512 367 E N 1.638 121.861 120.200 0.037 0.000 2.254 367 E HA 0.153 4.479 4.350 -0.039 0.000 0.261 367 E C 0.882 177.504 176.600 0.036 0.000 1.051 367 E CA -0.887 55.540 56.400 0.044 0.000 0.902 367 E CB 1.700 31.430 29.700 0.049 0.000 1.168 367 E HN 0.273 nan 8.360 nan 0.000 0.423 368 L N 1.325 122.570 121.223 0.036 0.000 2.083 368 L HA -0.146 4.170 4.340 -0.039 0.000 0.209 368 L C 1.887 178.770 176.870 0.021 0.000 1.083 368 L CA 1.850 56.702 54.840 0.020 0.000 0.752 368 L CB -0.120 41.946 42.059 0.011 0.000 0.899 368 L HN 0.656 nan 8.230 nan 0.000 0.433 369 M N -1.352 118.266 119.600 0.031 0.000 2.394 369 M HA 0.206 4.662 4.480 -0.039 0.000 0.264 369 M C 0.881 177.195 176.300 0.024 0.000 1.073 369 M CA 0.836 56.152 55.300 0.027 0.000 1.111 369 M CB -0.358 32.262 32.600 0.033 0.000 1.401 369 M HN 0.426 nan 8.290 nan 0.000 0.448 370 G N 0.057 108.872 108.800 0.025 0.000 2.321 370 G HA2 0.119 4.056 3.960 -0.039 0.000 0.298 370 G HA3 0.119 4.056 3.960 -0.039 0.000 0.298 370 G C -1.814 173.100 174.900 0.024 0.000 1.385 370 G CA -0.957 44.156 45.100 0.022 0.000 0.856 370 G HN 0.097 nan 8.290 nan 0.000 0.584 371 E N -0.138 120.074 120.200 0.020 0.000 2.344 371 E HA 0.529 4.855 4.350 -0.039 0.000 0.270 371 E C 0.304 176.917 176.600 0.023 0.000 1.021 371 E CA -0.055 56.356 56.400 0.019 0.000 0.887 371 E CB 0.555 30.263 29.700 0.014 0.000 0.997 371 E HN 0.579 nan 8.360 nan 0.000 0.429 372 R N 2.884 123.399 120.500 0.026 0.000 2.538 372 R HA 0.358 4.674 4.340 -0.039 0.000 0.292 372 R C -1.279 175.040 176.300 0.033 0.000 1.008 372 R CA -0.504 55.615 56.100 0.032 0.000 0.896 372 R CB 1.393 31.716 30.300 0.038 0.000 1.187 372 R HN 0.526 nan 8.270 nan 0.000 0.440 373 T N 2.957 117.531 114.554 0.034 0.000 2.744 373 T HA 0.138 4.465 4.350 -0.039 0.000 0.291 373 T C -0.828 173.904 174.700 0.053 0.000 0.957 373 T CA -0.386 61.736 62.100 0.037 0.000 1.002 373 T CB 1.057 69.943 68.868 0.029 0.000 0.919 373 T HN 0.373 nan 8.240 nan 0.000 0.468 374 D N 1.662 122.097 120.400 0.058 0.000 2.329 374 D HA 0.254 4.871 4.640 -0.039 0.000 0.232 374 D C 0.912 177.270 176.300 0.096 0.000 1.088 374 D CA -0.179 53.870 54.000 0.082 0.000 0.835 374 D CB 1.834 42.678 40.800 0.073 0.000 1.078 374 D HN 0.497 nan 8.370 nan 0.000 0.495 375 T N 2.942 117.576 114.554 0.134 0.000 3.044 375 T HA 0.092 4.418 4.350 -0.039 0.000 0.255 375 T C 0.211 175.060 174.700 0.249 0.000 1.073 375 T CA -0.004 62.192 62.100 0.159 0.000 1.125 375 T CB -0.074 68.881 68.868 0.145 0.000 0.908 375 T HN 0.268 nan 8.240 nan 0.000 0.480 376 F N 2.670 122.684 119.950 0.106 0.000 2.402 376 F HA 0.638 5.142 4.527 -0.038 0.000 0.355 376 F C -1.241 174.646 175.800 0.145 0.000 1.123 376 F CA -1.772 56.306 58.000 0.130 0.000 1.021 376 F CB 0.718 39.797 39.000 0.132 0.000 1.160 376 F HN -0.070 nan 8.300 nan 0.000 0.451 377 L N 6.909 127.881 121.223 -0.418 0.000 2.317 377 L HA 0.499 4.815 4.340 -0.039 0.000 0.281 377 L C -1.219 175.355 176.870 -0.494 0.000 1.024 377 L CA -0.808 53.832 54.840 -0.333 0.000 0.810 377 L CB 1.880 43.865 42.059 -0.123 0.000 1.240 377 L HN 0.597 nan 8.230 nan 0.000 0.427 378 F N 1.476 121.202 119.950 -0.373 0.000 2.547 378 F HA 0.475 4.978 4.527 -0.040 0.000 0.316 378 F C -0.447 175.379 175.800 0.043 0.000 1.121 378 F CA -0.459 57.417 58.000 -0.206 0.000 0.911 378 F CB 1.470 40.363 39.000 -0.179 0.000 1.179 378 F HN 0.433 nan 8.300 nan 0.000 0.443 379 H N 3.914 122.949 119.070 -0.059 0.000 2.690 379 H HA 0.433 4.967 4.556 -0.037 0.000 0.368 379 H C -2.043 173.402 175.328 0.194 0.000 1.150 379 H CA -0.740 55.363 56.048 0.093 0.000 1.174 379 H CB 1.647 31.404 29.762 -0.008 0.000 1.684 379 H HN 0.592 nan 8.280 nan 0.000 0.538 380 Y N 3.612 123.670 120.300 -0.403 0.000 2.373 380 Y HA 0.434 4.960 4.550 -0.040 0.000 0.336 380 Y C -1.437 174.301 175.900 -0.269 0.000 0.979 380 Y CA -0.770 57.237 58.100 -0.156 0.000 1.080 380 Y CB 1.221 39.710 38.460 0.048 0.000 1.190 380 Y HN 0.647 nan 8.280 nan 0.000 0.446 381 N N 6.058 124.482 118.700 -0.460 0.000 2.354 381 N HA 0.268 4.985 4.740 -0.039 0.000 0.287 381 N C -1.919 173.406 175.510 -0.308 0.000 1.016 381 N CA -0.401 52.494 53.050 -0.259 0.000 0.871 381 N CB 1.721 40.126 38.487 -0.137 0.000 1.299 381 N HN 0.634 nan 8.380 nan 0.000 0.482 382 F N 4.336 124.142 119.950 -0.240 0.000 2.451 382 F HA 0.402 4.905 4.527 -0.040 0.000 0.367 382 F C -2.091 173.599 175.800 -0.184 0.000 1.100 382 F CA -1.713 56.165 58.000 -0.203 0.000 1.171 382 F CB 1.009 40.002 39.000 -0.012 0.000 1.405 382 F HN 0.275 nan 8.300 nan 0.000 0.482 383 P HA 0.261 nan 4.420 nan 0.000 0.274 383 P C -2.502 174.481 177.300 -0.528 0.000 1.237 383 P CA -1.443 61.382 63.100 -0.459 0.000 0.793 383 P CB 0.882 32.153 31.700 -0.716 0.000 0.977 384 P HA -0.102 nan 4.420 nan 0.000 0.223 384 P C 1.327 178.548 177.300 -0.131 0.000 1.151 384 P CA 1.193 64.223 63.100 -0.118 0.000 0.787 384 P CB -0.562 31.140 31.700 0.002 0.000 0.788 385 Y N -0.938 119.293 120.300 -0.115 0.000 2.561 385 Y HA 0.029 4.555 4.550 -0.039 0.000 0.291 385 Y C 1.999 177.814 175.900 -0.142 0.000 1.141 385 Y CA 0.618 58.657 58.100 -0.103 0.000 1.303 385 Y CB -1.508 36.902 38.460 -0.083 0.000 1.015 385 Y HN -0.065 nan 8.280 nan 0.000 0.547 386 S N 0.618 116.020 115.700 -0.496 0.000 2.423 386 S HA -0.145 4.302 4.470 -0.039 0.000 0.231 386 S C 1.391 175.871 174.600 -0.200 0.000 1.014 386 S CA 1.014 58.955 58.200 -0.432 0.000 0.965 386 S CB -0.876 61.812 63.200 -0.853 0.000 0.785 386 S HN 0.539 nan 8.310 nan 0.000 0.495 387 V N -3.163 116.672 119.914 -0.133 0.000 3.380 387 V HA 0.721 4.818 4.120 -0.039 0.000 0.307 387 V C 1.080 177.184 176.094 0.017 0.000 1.434 387 V CA -0.267 62.027 62.300 -0.010 0.000 1.075 387 V CB -0.719 31.143 31.823 0.065 0.000 0.954 387 V HN 0.727 nan 8.190 nan 0.000 0.444 388 G N 0.461 109.273 108.800 0.020 0.000 2.248 388 G HA2 -0.200 3.736 3.960 -0.039 0.000 0.263 388 G HA3 -0.200 3.736 3.960 -0.039 0.000 0.263 388 G C -0.262 174.661 174.900 0.038 0.000 1.082 388 G CA 0.519 45.643 45.100 0.040 0.000 0.863 388 G HN 0.698 nan 8.290 nan 0.000 0.495 389 E N -0.672 119.551 120.200 0.039 0.000 2.378 389 E HA 0.732 5.059 4.350 -0.039 0.000 0.265 389 E C 0.052 176.679 176.600 0.044 0.000 0.932 389 E CA -0.461 55.962 56.400 0.037 0.000 0.795 389 E CB 1.681 31.404 29.700 0.038 0.000 1.296 389 E HN 0.392 nan 8.360 nan 0.000 0.438 390 T N -1.386 113.191 114.554 0.038 0.000 2.829 390 T HA 0.822 5.148 4.350 -0.039 0.000 0.280 390 T C 0.174 174.895 174.700 0.035 0.000 0.999 390 T CA -0.382 61.742 62.100 0.039 0.000 0.983 390 T CB 1.677 70.564 68.868 0.032 0.000 0.968 390 T HN 0.690 nan 8.240 nan 0.000 0.446 391 G N 2.307 111.129 108.800 0.038 0.000 2.392 391 G HA2 0.403 4.340 3.960 -0.039 0.000 0.260 391 G HA3 0.403 4.340 3.960 -0.039 0.000 0.260 391 G C -1.219 173.703 174.900 0.037 0.000 1.226 391 G CA -1.072 44.049 45.100 0.035 0.000 0.913 391 G HN 0.727 nan 8.290 nan 0.000 0.483 392 M N 1.249 120.872 119.600 0.037 0.000 2.228 392 M HA 0.414 4.871 4.480 -0.039 0.000 0.351 392 M C 0.578 176.905 176.300 0.045 0.000 1.233 392 M CA -0.080 55.244 55.300 0.039 0.000 1.129 392 M CB 0.755 33.377 32.600 0.037 0.000 1.604 392 M HN 0.287 nan 8.290 nan 0.000 0.457 399 R N 0.760 121.248 120.500 -0.021 0.000 3.610 399 R HA -0.240 4.077 4.340 -0.039 0.000 0.274 399 R C 0.049 176.347 176.300 -0.004 0.000 1.123 399 R CA 1.458 57.527 56.100 -0.052 0.000 0.747 399 R CB -0.974 29.265 30.300 -0.103 0.000 1.149 399 R HN 0.663 nan 8.270 nan 0.000 0.471 400 E N 0.014 120.255 120.200 0.068 0.000 2.152 400 E HA -0.150 4.177 4.350 -0.039 0.000 0.192 400 E C 1.680 178.290 176.600 0.016 0.000 0.983 400 E CA 1.085 57.584 56.400 0.165 0.000 0.818 400 E CB 0.072 29.929 29.700 0.262 0.000 0.758 400 E HN 0.381 nan 8.360 nan 0.000 0.467 401 I N 0.589 121.156 120.570 -0.005 0.000 2.353 401 I HA -0.084 4.063 4.170 -0.039 0.000 0.248 401 I C 2.454 178.512 176.117 -0.098 0.000 1.119 401 I CA 1.229 62.518 61.300 -0.017 0.000 1.417 401 I CB -1.615 36.389 38.000 0.007 0.000 1.078 401 I HN 0.078 nan 8.210 nan 0.000 0.421 402 G N 0.507 109.201 108.800 -0.176 0.000 2.402 402 G HA2 -0.198 3.739 3.960 -0.039 0.000 0.216 402 G HA3 -0.198 3.739 3.960 -0.039 0.000 0.216 402 G C 1.571 176.245 174.900 -0.377 0.000 1.162 402 G CA 0.366 45.301 45.100 -0.275 0.000 0.777 402 G HN 0.380 nan 8.290 nan 0.000 0.539 403 H N 0.575 119.408 119.070 -0.395 0.000 2.428 403 H HA -0.013 4.520 4.556 -0.039 0.000 0.296 403 H C 2.832 177.800 175.328 -0.600 0.000 1.062 403 H CA 1.066 56.746 56.048 -0.613 0.000 1.350 403 H CB -0.374 28.727 29.762 -1.101 0.000 1.403 403 H HN 0.382 nan 8.280 nan 0.000 0.533 404 G N 0.672 109.270 108.800 -0.337 0.000 2.402 404 G HA2 -0.246 3.691 3.960 -0.039 0.000 0.216 404 G HA3 -0.246 3.691 3.960 -0.039 0.000 0.216 404 G C 2.007 176.817 174.900 -0.150 0.000 1.162 404 G CA 0.484 45.560 45.100 -0.040 0.000 0.777 404 G HN 0.244 nan 8.290 nan 0.000 0.539 405 R N 0.030 120.447 120.500 -0.140 0.000 2.090 405 R HA 0.131 4.448 4.340 -0.039 0.000 0.228 405 R C 2.319 178.511 176.300 -0.179 0.000 1.110 405 R CA 0.820 56.841 56.100 -0.132 0.000 0.973 405 R CB -0.896 29.357 30.300 -0.080 0.000 0.869 405 R HN 0.329 nan 8.270 nan 0.000 0.440 406 L N 0.143 121.252 121.223 -0.192 0.000 2.046 406 L HA 0.052 4.369 4.340 -0.039 0.000 0.208 406 L C 1.987 178.740 176.870 -0.196 0.000 1.077 406 L CA 2.270 57.012 54.840 -0.163 0.000 0.747 406 L CB -0.833 41.140 42.059 -0.144 0.000 0.896 406 L HN 0.221 nan 8.230 nan 0.000 0.432 407 A N -0.929 121.712 122.820 -0.299 0.000 2.014 407 A HA -0.177 4.119 4.320 -0.039 0.000 0.218 407 A C 2.418 179.580 177.584 -0.704 0.000 1.163 407 A CA 1.524 53.315 52.037 -0.410 0.000 0.652 407 A CB -0.525 18.270 19.000 -0.342 0.000 0.808 407 A HN 0.502 nan 8.150 nan 0.000 0.449 408 K N -0.239 119.674 120.400 -0.811 0.000 2.057 408 K HA -0.092 4.204 4.320 -0.039 0.000 0.206 408 K C 2.142 178.699 176.600 -0.072 0.000 1.050 408 K CA 1.211 57.229 56.287 -0.448 0.000 0.935 408 K CB -0.143 32.227 32.500 -0.216 0.000 0.715 408 K HN 0.392 nan 8.250 nan 0.000 0.439 409 R N -0.593 119.845 120.500 -0.103 0.000 2.189 409 R HA -0.041 4.275 4.340 -0.039 0.000 0.223 409 R C 2.206 178.476 176.300 -0.050 0.000 1.092 409 R CA 1.079 57.153 56.100 -0.045 0.000 0.989 409 R CB -0.153 30.118 30.300 -0.048 0.000 0.876 409 R HN 0.322 nan 8.270 nan 0.000 0.457 410 G N -0.518 108.236 108.800 -0.077 0.000 2.572 410 G HA2 -0.079 3.858 3.960 -0.039 0.000 0.216 410 G HA3 -0.079 3.858 3.960 -0.039 0.000 0.216 410 G C 1.153 176.027 174.900 -0.044 0.000 1.133 410 G CA 0.287 45.353 45.100 -0.056 0.000 0.791 410 G HN 0.140 nan 8.290 nan 0.000 0.538 411 V N -0.205 119.689 119.914 -0.034 0.000 3.379 411 V HA 0.153 4.250 4.120 -0.039 0.000 0.249 411 V C 2.270 178.265 176.094 -0.165 0.000 1.184 411 V CA 0.178 62.456 62.300 -0.037 0.000 1.106 411 V CB 0.433 32.332 31.823 0.126 0.000 0.826 411 V HN 0.271 nan 8.190 nan 0.000 0.465 412 L N 1.651 122.799 121.223 -0.124 0.000 2.079 412 L HA -0.118 4.199 4.340 -0.039 0.000 0.210 412 L C 2.420 179.205 176.870 -0.142 0.000 1.081 412 L CA 2.414 57.150 54.840 -0.175 0.000 0.752 412 L CB -0.621 41.442 42.059 0.005 0.000 0.896 412 L HN 0.268 nan 8.230 nan 0.000 0.433 413 A N -1.889 120.877 122.820 -0.090 0.000 2.015 413 A HA -0.113 4.184 4.320 -0.039 0.000 0.219 413 A C 2.284 179.819 177.584 -0.081 0.000 1.163 413 A CA 1.620 53.616 52.037 -0.067 0.000 0.646 413 A CB -0.722 18.251 19.000 -0.047 0.000 0.806 413 A HN 0.284 nan 8.150 nan 0.000 0.448 414 V N 0.078 119.928 119.914 -0.106 0.000 3.650 414 V HA 0.115 4.212 4.120 -0.039 0.000 0.271 414 V C 0.535 176.548 176.094 -0.135 0.000 1.281 414 V CA 0.085 62.324 62.300 -0.101 0.000 1.120 414 V CB -0.422 31.350 31.823 -0.085 0.000 0.856 414 V HN 0.447 nan 8.190 nan 0.000 0.443 415 M N 2.811 122.291 119.600 -0.199 0.000 2.248 415 M HA 0.240 4.697 4.480 -0.039 0.000 0.345 415 M C -1.977 174.248 176.300 -0.126 0.000 1.243 415 M CA -1.773 53.388 55.300 -0.232 0.000 1.090 415 M CB 0.183 32.544 32.600 -0.398 0.000 1.683 415 M HN 0.073 nan 8.290 nan 0.000 0.450 416 P HA 0.113 nan 4.420 nan 0.000 0.272 416 P C -0.700 176.619 177.300 0.031 0.000 1.240 416 P CA -0.301 62.779 63.100 -0.033 0.000 0.791 416 P CB 0.602 32.271 31.700 -0.051 0.000 0.978 417 D N 0.998 121.427 120.400 0.047 0.000 2.360 417 D HA 0.072 4.688 4.640 -0.039 0.000 0.242 417 D C 1.594 177.947 176.300 0.089 0.000 1.184 417 D CA -0.180 53.852 54.000 0.054 0.000 0.930 417 D CB 0.502 41.323 40.800 0.035 0.000 1.161 417 D HN 0.233 nan 8.370 nan 0.000 0.447 418 M N 0.758 120.392 119.600 0.057 0.000 2.476 418 M HA -0.080 4.377 4.480 -0.039 0.000 0.262 418 M C 0.850 177.144 176.300 -0.010 0.000 1.079 418 M CA 0.986 56.303 55.300 0.028 0.000 1.104 418 M CB -0.370 32.236 32.600 0.009 0.000 1.409 418 M HN 0.296 nan 8.290 nan 0.000 0.467 419 D N 0.300 120.705 120.400 0.008 0.000 2.162 419 D HA -0.077 4.540 4.640 -0.039 0.000 0.203 419 D C 1.898 178.205 176.300 0.012 0.000 0.967 419 D CA 0.897 54.894 54.000 -0.004 0.000 0.840 419 D CB 0.065 40.867 40.800 0.003 0.000 0.972 419 D HN 0.261 nan 8.370 nan 0.000 0.482 420 K N -0.327 120.108 120.400 0.058 0.000 2.211 420 K HA 0.054 4.350 4.320 -0.039 0.000 0.201 420 K C 0.240 176.964 176.600 0.207 0.000 1.052 420 K CA 0.087 56.437 56.287 0.105 0.000 0.973 420 K CB 0.470 33.032 32.500 0.103 0.000 0.766 420 K HN 0.095 nan 8.250 nan 0.000 0.466 421 F N 2.738 122.689 119.950 0.001 0.000 2.949 421 F HA 0.249 4.754 4.527 -0.038 0.000 0.376 421 F C -2.456 173.305 175.800 -0.065 0.000 1.205 421 F CA -2.417 55.608 58.000 0.041 0.000 1.155 421 F CB 1.752 40.818 39.000 0.109 0.000 1.495 421 F HN -0.175 nan 8.300 nan 0.000 0.551 422 P HA 0.177 nan 4.420 nan 0.000 0.211 422 P C -1.539 175.262 177.300 -0.831 0.000 1.833 422 P CA 0.166 62.929 63.100 -0.562 0.000 0.938 422 P CB -0.558 30.826 31.700 -0.526 0.000 1.808 423 Y N -1.516 118.591 120.300 -0.322 0.000 2.462 423 Y HA 0.347 4.872 4.550 -0.041 0.000 0.346 423 Y C 0.918 176.824 175.900 0.011 0.000 0.976 423 Y CA -1.002 56.951 58.100 -0.245 0.000 1.044 423 Y CB 1.428 39.582 38.460 -0.509 0.000 1.230 423 Y HN -0.287 nan 8.280 nan 0.000 0.455 424 T N 3.508 118.173 114.554 0.185 0.000 2.799 424 T HA 0.339 4.665 4.350 -0.039 0.000 0.296 424 T C -0.245 174.590 174.700 0.226 0.000 0.947 424 T CA -0.323 61.886 62.100 0.182 0.000 1.141 424 T CB -0.104 68.834 68.868 0.117 0.000 0.891 424 T HN 0.311 nan 8.240 nan 0.000 0.533 425 V N 4.905 124.990 119.914 0.285 0.000 2.417 425 V HA 0.546 4.642 4.120 -0.039 0.000 0.291 425 V C 0.222 176.437 176.094 0.203 0.000 1.024 425 V CA -0.979 61.500 62.300 0.298 0.000 0.861 425 V CB 1.575 33.645 31.823 0.410 0.000 0.985 425 V HN 0.724 nan 8.190 nan 0.000 0.436 426 R N 3.211 123.776 120.500 0.108 0.000 2.494 426 R HA 0.788 5.104 4.340 -0.039 0.000 0.305 426 R C -1.809 174.454 176.300 -0.060 0.000 0.959 426 R CA -0.426 55.658 56.100 -0.028 0.000 0.864 426 R CB 2.030 32.316 30.300 -0.023 0.000 1.159 426 R HN 0.554 nan 8.270 nan 0.000 0.446 427 V N 5.246 125.023 119.914 -0.228 0.000 2.444 427 V HA 0.410 4.507 4.120 -0.039 0.000 0.294 427 V C -0.661 175.124 176.094 -0.514 0.000 1.022 427 V CA -0.739 61.367 62.300 -0.324 0.000 0.850 427 V CB 1.861 33.485 31.823 -0.332 0.000 0.992 427 V HN 0.509 nan 8.190 nan 0.000 0.426 428 V N 3.431 123.160 119.914 -0.308 0.000 2.448 428 V HA 0.539 4.635 4.120 -0.039 0.000 0.295 428 V C 0.093 176.074 176.094 -0.189 0.000 1.025 428 V CA -0.382 61.793 62.300 -0.208 0.000 0.859 428 V CB 1.927 33.720 31.823 -0.051 0.000 0.988 428 V HN 0.818 nan 8.190 nan 0.000 0.431 429 S N 3.688 119.287 115.700 -0.169 0.000 2.433 429 S HA 0.463 4.909 4.470 -0.039 0.000 0.310 429 S C -0.514 173.992 174.600 -0.157 0.000 1.097 429 S CA -0.665 57.478 58.200 -0.095 0.000 1.103 429 S CB 0.647 63.881 63.200 0.057 0.000 0.992 429 S HN 0.722 nan 8.310 nan 0.000 0.469 430 E N 4.513 124.642 120.200 -0.118 0.000 2.092 430 E HA 0.252 4.579 4.350 -0.039 0.000 0.271 430 E C -0.412 176.090 176.600 -0.162 0.000 0.919 430 E CA -0.627 55.687 56.400 -0.143 0.000 0.760 430 E CB 0.900 30.564 29.700 -0.060 0.000 1.106 430 E HN 0.547 nan 8.360 nan 0.000 0.408 431 I N 3.878 124.276 120.570 -0.287 0.000 2.329 431 I HA -0.023 4.123 4.170 -0.039 0.000 0.295 431 I C 1.733 177.662 176.117 -0.313 0.000 1.109 431 I CA 0.243 61.378 61.300 -0.275 0.000 1.297 431 I CB -0.361 37.443 38.000 -0.327 0.000 1.433 431 I HN 0.396 nan 8.210 nan 0.000 0.509 432 T N 2.338 116.809 114.554 -0.138 0.000 3.009 432 T HA 0.167 4.493 4.350 -0.039 0.000 0.258 432 T C 0.647 175.317 174.700 -0.049 0.000 1.063 432 T CA 0.305 62.393 62.100 -0.019 0.000 1.139 432 T CB 0.364 69.281 68.868 0.082 0.000 0.890 432 T HN 0.530 nan 8.240 nan 0.000 0.471 433 E N 0.258 120.412 120.200 -0.077 0.000 2.314 433 E HA 0.596 4.923 4.350 -0.039 0.000 0.272 433 E C -1.658 174.910 176.600 -0.053 0.000 0.884 433 E CA -0.619 55.745 56.400 -0.060 0.000 0.753 433 E CB 2.384 32.077 29.700 -0.010 0.000 1.213 433 E HN 0.105 nan 8.360 nan 0.000 0.432 434 S N 2.162 117.842 115.700 -0.032 0.000 2.733 434 S HA 0.466 4.912 4.470 -0.039 0.000 0.294 434 S C -1.298 173.349 174.600 0.079 0.000 1.149 434 S CA -0.609 57.627 58.200 0.061 0.000 1.034 434 S CB 0.532 63.831 63.200 0.166 0.000 1.015 434 S HN 0.504 nan 8.310 nan 0.000 0.486 435 N N 2.978 121.722 118.700 0.073 0.000 2.635 435 N HA 0.370 5.087 4.740 -0.039 0.000 0.252 435 N C -0.623 174.912 175.510 0.043 0.000 1.589 435 N CA 0.649 53.735 53.050 0.059 0.000 0.828 435 N CB 0.791 39.303 38.487 0.041 0.000 1.403 435 N HN 1.066 nan 8.380 nan 0.000 0.518 436 G N 0.906 109.731 108.800 0.042 0.000 2.768 436 G HA2 0.214 4.150 3.960 -0.039 0.000 0.666 436 G HA3 0.214 4.150 3.960 -0.039 0.000 0.666 436 G C -0.251 174.670 174.900 0.034 0.000 1.162 436 G CA -0.184 44.926 45.100 0.017 0.000 1.226 436 G HN 1.132 nan 8.290 nan 0.000 0.535 437 S N -0.016 115.699 115.700 0.024 0.000 3.681 437 S HA -0.102 4.345 4.470 -0.039 0.000 0.473 437 S C 1.722 176.361 174.600 0.065 0.000 0.830 437 S CA 1.355 59.572 58.200 0.028 0.000 1.355 437 S CB -1.269 61.944 63.200 0.022 0.000 0.892 437 S HN 2.463 nan 8.310 nan 0.000 0.649 438 S N 1.148 116.887 115.700 0.066 0.000 2.562 438 S HA 0.017 4.463 4.470 -0.039 0.000 0.221 438 S C 1.950 176.683 174.600 0.222 0.000 0.975 438 S CA 0.744 59.042 58.200 0.163 0.000 0.918 438 S CB -0.026 63.327 63.200 0.254 0.000 0.772 438 S HN 1.310 nan 8.310 nan 0.000 0.531 439 S N 2.153 117.923 115.700 0.117 0.000 2.395 439 S HA 0.089 4.535 4.470 -0.039 0.000 0.225 439 S C 1.863 176.534 174.600 0.117 0.000 1.027 439 S CA 0.547 58.830 58.200 0.138 0.000 0.965 439 S CB -0.504 62.776 63.200 0.132 0.000 0.812 439 S HN 0.319 nan 8.310 nan 0.000 0.482 440 M N 1.734 121.383 119.600 0.083 0.000 2.349 440 M HA 0.272 4.729 4.480 -0.039 0.000 0.266 440 M C 2.483 178.807 176.300 0.040 0.000 1.076 440 M CA 1.102 56.430 55.300 0.046 0.000 1.126 440 M CB -1.615 31.005 32.600 0.034 0.000 1.392 440 M HN 0.561 nan 8.290 nan 0.000 0.440 441 A N -0.409 122.479 122.820 0.113 0.000 2.014 441 A HA -0.049 4.248 4.320 -0.039 0.000 0.218 441 A C 2.413 180.048 177.584 0.086 0.000 1.163 441 A CA 1.590 53.718 52.037 0.153 0.000 0.652 441 A CB -0.510 18.664 19.000 0.290 0.000 0.808 441 A HN 0.445 nan 8.150 nan 0.000 0.449 442 S N -0.383 115.416 115.700 0.165 0.000 2.406 442 S HA -0.077 4.369 4.470 -0.039 0.000 0.228 442 S C 1.827 176.553 174.600 0.210 0.000 1.020 442 S CA 1.215 59.563 58.200 0.247 0.000 0.965 442 S CB -0.252 63.218 63.200 0.450 0.000 0.798 442 S HN 0.366 nan 8.310 nan 0.000 0.488 443 V N 1.164 121.133 119.914 0.091 0.000 2.358 443 V HA -0.213 3.884 4.120 -0.039 0.000 0.246 443 V C 2.411 178.463 176.094 -0.070 0.000 1.047 443 V CA 1.469 63.788 62.300 0.032 0.000 1.035 443 V CB -0.996 30.813 31.823 -0.023 0.000 0.658 443 V HN 0.575 nan 8.190 nan 0.000 0.452 444 C N 0.950 120.091 119.300 -0.265 0.000 2.446 444 C HA 0.006 4.443 4.460 -0.039 0.000 0.277 444 C C 2.942 177.701 174.990 -0.384 0.000 1.275 444 C CA 0.633 59.331 59.018 -0.534 0.000 1.727 444 C CB -1.690 25.207 27.740 -1.406 0.000 2.010 444 C HN 0.658 nan 8.230 nan 0.000 0.486 445 G N 0.372 109.026 108.800 -0.244 0.000 2.422 445 G HA2 0.034 3.971 3.960 -0.039 0.000 0.218 445 G HA3 0.034 3.971 3.960 -0.039 0.000 0.218 445 G C 1.843 176.763 174.900 0.033 0.000 1.140 445 G CA 0.967 46.053 45.100 -0.022 0.000 0.775 445 G HN 0.607 nan 8.290 nan 0.000 0.545 446 A N 0.556 123.426 122.820 0.083 0.000 1.930 446 A HA 0.038 4.335 4.320 -0.039 0.000 0.217 446 A C 2.603 180.242 177.584 0.092 0.000 1.175 446 A CA 2.133 54.256 52.037 0.144 0.000 0.627 446 A CB -0.750 18.465 19.000 0.358 0.000 0.815 446 A HN 0.386 nan 8.150 nan 0.000 0.443 447 S N -0.508 115.216 115.700 0.039 0.000 2.382 447 S HA -0.095 4.351 4.470 -0.039 0.000 0.228 447 S C 1.853 176.453 174.600 0.000 0.000 1.027 447 S CA 1.526 59.727 58.200 0.003 0.000 0.991 447 S CB -0.442 62.737 63.200 -0.035 0.000 0.823 447 S HN 0.477 nan 8.310 nan 0.000 0.469 448 L N 0.751 121.976 121.223 0.003 0.000 2.179 448 L HA 0.133 4.450 4.340 -0.039 0.000 0.208 448 L C 2.807 179.694 176.870 0.028 0.000 1.096 448 L CA 0.967 55.819 54.840 0.019 0.000 0.779 448 L CB -0.505 41.580 42.059 0.043 0.000 0.922 448 L HN 0.350 nan 8.230 nan 0.000 0.443 449 A N 0.035 122.876 122.820 0.036 0.000 1.929 449 A HA -0.067 4.229 4.320 -0.039 0.000 0.216 449 A C 2.242 179.850 177.584 0.039 0.000 1.176 449 A CA 1.093 53.154 52.037 0.040 0.000 0.628 449 A CB -0.509 18.515 19.000 0.040 0.000 0.816 449 A HN 0.326 nan 8.150 nan 0.000 0.444 450 L N -1.188 120.056 121.223 0.036 0.000 2.093 450 L HA -0.133 4.184 4.340 -0.039 0.000 0.208 450 L C 2.778 179.634 176.870 -0.022 0.000 1.085 450 L CA 1.254 56.102 54.840 0.014 0.000 0.755 450 L CB -0.373 41.690 42.059 0.005 0.000 0.904 450 L HN 0.389 nan 8.230 nan 0.000 0.435 451 M N -0.832 118.757 119.600 -0.017 0.000 2.229 451 M HA -0.192 4.265 4.480 -0.039 0.000 0.264 451 M C 1.717 178.012 176.300 -0.008 0.000 1.063 451 M CA 1.415 56.701 55.300 -0.023 0.000 1.114 451 M CB -0.343 32.248 32.600 -0.016 0.000 1.387 451 M HN 0.159 nan 8.290 nan 0.000 0.420 452 D N 0.390 120.796 120.400 0.009 0.000 2.183 452 D HA -0.037 4.579 4.640 -0.039 0.000 0.203 452 D C 1.830 178.147 176.300 0.028 0.000 0.969 452 D CA 1.362 55.374 54.000 0.020 0.000 0.842 452 D CB 0.215 41.033 40.800 0.030 0.000 0.957 452 D HN 0.256 nan 8.370 nan 0.000 0.484 453 A N -0.710 122.129 122.820 0.031 0.000 2.014 453 A HA 0.346 4.642 4.320 -0.039 0.000 0.218 453 A C 1.927 179.516 177.584 0.009 0.000 1.163 453 A CA 1.513 53.577 52.037 0.045 0.000 0.652 453 A CB -0.349 18.690 19.000 0.065 0.000 0.808 453 A HN 0.485 nan 8.150 nan 0.000 0.449 454 G N -2.196 106.592 108.800 -0.020 0.000 2.154 454 G HA2 -0.117 3.819 3.960 -0.039 0.000 0.186 454 G HA3 -0.117 3.819 3.960 -0.039 0.000 0.186 454 G C 0.015 174.841 174.900 -0.122 0.000 1.000 454 G CA -0.102 44.976 45.100 -0.037 0.000 0.664 454 G HN 0.779 nan 8.290 nan 0.000 0.513 455 V N 2.452 122.242 119.914 -0.205 0.000 2.439 455 V HA 0.355 4.452 4.120 -0.039 0.000 0.271 455 V C -1.221 174.650 176.094 -0.372 0.000 1.040 455 V CA -0.783 61.223 62.300 -0.489 0.000 1.002 455 V CB 1.080 32.683 31.823 -0.367 0.000 1.000 455 V HN 0.244 nan 8.190 nan 0.000 0.477 456 P HA 0.217 nan 4.420 nan 0.000 0.237 456 P C 0.067 177.252 177.300 -0.191 0.000 1.788 456 P CA -0.185 62.782 63.100 -0.222 0.000 1.061 456 P CB -0.277 31.336 31.700 -0.144 0.000 1.967 457 I N -1.607 118.862 120.570 -0.167 0.000 2.754 457 I HA 0.138 4.285 4.170 -0.039 0.000 0.285 457 I C 1.372 177.437 176.117 -0.087 0.000 1.166 457 I CA -0.486 60.736 61.300 -0.130 0.000 1.417 457 I CB 0.615 38.545 38.000 -0.116 0.000 1.382 457 I HN -0.047 nan 8.210 nan 0.000 0.588 458 K N 3.589 123.944 120.400 -0.075 0.000 2.074 458 K HA -0.025 4.272 4.320 -0.039 0.000 0.209 458 K C 0.688 177.263 176.600 -0.043 0.000 1.048 458 K CA 1.864 58.120 56.287 -0.052 0.000 0.926 458 K CB -0.205 32.268 32.500 -0.046 0.000 0.713 458 K HN 0.882 nan 8.250 nan 0.000 0.444 459 A N -0.481 122.311 122.820 -0.046 0.000 2.557 459 A HA 0.674 4.971 4.320 -0.039 0.000 0.292 459 A C -1.680 175.881 177.584 -0.039 0.000 1.139 459 A CA -0.522 51.494 52.037 -0.036 0.000 0.665 459 A CB 0.789 19.772 19.000 -0.028 0.000 1.285 459 A HN 0.104 nan 8.150 nan 0.000 0.433 460 A N -0.536 122.266 122.820 -0.031 0.000 2.354 460 A HA 0.613 4.909 4.320 -0.039 0.000 0.269 460 A C -0.299 177.265 177.584 -0.033 0.000 1.109 460 A CA -0.144 51.874 52.037 -0.031 0.000 0.800 460 A CB 0.546 19.532 19.000 -0.023 0.000 1.045 460 A HN 2.029 nan 8.150 nan 0.000 0.489 461 V N 1.250 121.140 119.914 -0.041 0.000 2.656 461 V HA 0.822 4.918 4.120 -0.039 0.000 0.307 461 V C -0.079 175.977 176.094 -0.064 0.000 1.051 461 V CA 0.311 62.585 62.300 -0.043 0.000 0.893 461 V CB 1.679 33.478 31.823 -0.040 0.000 0.999 461 V HN 1.679 nan 8.190 nan 0.000 0.426 462 A N 3.960 126.746 122.820 -0.057 0.000 2.527 462 A HA 1.017 5.313 4.320 -0.039 0.000 0.293 462 A C -0.271 177.283 177.584 -0.049 0.000 1.117 462 A CA -0.156 51.831 52.037 -0.082 0.000 0.723 462 A CB 2.026 20.988 19.000 -0.062 0.000 1.313 462 A HN 1.590 nan 8.150 nan 0.000 0.411 463 G N -0.760 108.008 108.800 -0.054 0.000 2.533 463 G HA2 0.678 4.614 3.960 -0.039 0.000 0.304 463 G HA3 0.678 4.614 3.960 -0.039 0.000 0.304 463 G C -1.686 173.218 174.900 0.008 0.000 1.263 463 G CA -0.460 44.629 45.100 -0.018 0.000 0.964 463 G HN 1.145 nan 8.290 nan 0.000 0.479 464 I N 0.206 120.779 120.570 0.004 0.000 2.692 464 I HA 0.707 4.854 4.170 -0.039 0.000 0.293 464 I C -0.226 175.853 176.117 -0.064 0.000 1.200 464 I CA -0.633 60.664 61.300 -0.005 0.000 1.036 464 I CB 2.066 40.069 38.000 0.006 0.000 1.258 464 I HN 0.812 nan 8.210 nan 0.000 0.421 465 A N 8.059 130.833 122.820 -0.078 0.000 2.301 465 A HA 0.872 5.168 4.320 -0.039 0.000 0.312 465 A C -0.708 176.725 177.584 -0.252 0.000 1.182 465 A CA -0.485 51.462 52.037 -0.151 0.000 0.826 465 A CB 0.613 19.562 19.000 -0.085 0.000 1.134 465 A HN 0.606 nan 8.150 nan 0.000 0.501 466 M N 1.964 121.274 119.600 -0.484 0.000 2.464 466 M HA 0.555 5.012 4.480 -0.039 0.000 0.308 466 M C 0.205 176.232 176.300 -0.454 0.000 1.127 466 M CA -0.365 54.576 55.300 -0.599 0.000 0.913 466 M CB 1.538 33.437 32.600 -1.169 0.000 1.689 466 M HN 0.822 nan 8.290 nan 0.000 0.445 467 G N 1.351 110.028 108.800 -0.205 0.000 2.600 467 G HA2 0.882 4.819 3.960 -0.039 0.000 0.303 467 G HA3 0.882 4.819 3.960 -0.039 0.000 0.303 467 G C -2.103 172.824 174.900 0.044 0.000 1.253 467 G CA -0.618 44.447 45.100 -0.058 0.000 0.974 467 G HN 0.669 nan 8.290 nan 0.000 0.483 468 L N 0.351 121.624 121.223 0.084 0.000 2.493 468 L HA 0.693 5.010 4.340 -0.039 0.000 0.265 468 L C -1.296 175.627 176.870 0.088 0.000 0.954 468 L CA -0.719 54.192 54.840 0.118 0.000 0.844 468 L CB 2.333 44.483 42.059 0.151 0.000 1.302 468 L HN 0.364 nan 8.230 nan 0.000 0.405 469 V N 4.546 124.519 119.914 0.100 0.000 2.444 469 V HA 0.613 4.709 4.120 -0.039 0.000 0.294 469 V C -0.505 175.654 176.094 0.108 0.000 1.022 469 V CA -0.591 61.758 62.300 0.082 0.000 0.850 469 V CB 1.665 33.525 31.823 0.063 0.000 0.992 469 V HN 0.720 nan 8.190 nan 0.000 0.426 470 K N 2.988 123.439 120.400 0.085 0.000 2.523 470 K HA 0.575 4.872 4.320 -0.039 0.000 0.257 470 K C -0.097 176.539 176.600 0.059 0.000 0.932 470 K CA -0.422 55.923 56.287 0.096 0.000 0.812 470 K CB 2.955 35.502 32.500 0.079 0.000 1.326 470 K HN 0.735 nan 8.250 nan 0.000 0.433 471 E N 1.166 121.403 120.200 0.060 0.000 3.155 471 E HA 0.207 4.534 4.350 -0.039 0.000 0.208 471 E C 0.559 177.180 176.600 0.036 0.000 1.060 471 E CA 0.288 56.712 56.400 0.039 0.000 1.522 471 E CB 0.767 30.488 29.700 0.034 0.000 1.433 471 E HN 0.693 nan 8.360 nan 0.000 0.709 472 G N -0.366 108.462 108.800 0.047 0.000 3.227 472 G HA2 0.273 4.209 3.960 -0.039 0.000 0.171 472 G HA3 0.273 4.209 3.960 -0.039 0.000 0.171 472 G C 0.727 175.665 174.900 0.065 0.000 1.463 472 G CA 0.719 45.845 45.100 0.043 0.000 1.016 472 G HN 0.226 nan 8.290 nan 0.000 0.594 473 D N -1.264 119.175 120.400 0.066 0.000 2.289 473 D HA 0.220 4.836 4.640 -0.039 0.000 0.207 473 D C 1.239 177.632 176.300 0.155 0.000 0.966 473 D CA 0.891 54.950 54.000 0.099 0.000 0.868 473 D CB -0.966 39.873 40.800 0.064 0.000 0.943 473 D HN 0.797 nan 8.370 nan 0.000 0.514 474 N N -0.100 118.657 118.700 0.096 0.000 2.458 474 N HA 0.572 5.289 4.740 -0.039 0.000 0.270 474 N C -0.452 175.132 175.510 0.123 0.000 1.102 474 N CA -0.048 53.028 53.050 0.042 0.000 0.967 474 N CB 0.124 38.608 38.487 -0.004 0.000 1.078 474 N HN 0.679 nan 8.380 nan 0.000 0.471 475 Y N -1.422 118.883 120.300 0.008 0.000 2.588 475 Y HA 0.717 5.243 4.550 -0.039 0.000 0.343 475 Y C -0.441 175.468 175.900 0.016 0.000 1.065 475 Y CA -1.579 56.528 58.100 0.012 0.000 1.038 475 Y CB 0.873 39.340 38.460 0.013 0.000 1.297 475 Y HN 0.586 nan 8.280 nan 0.000 0.467 476 V N 0.796 120.802 119.914 0.153 0.000 2.525 476 V HA 0.653 4.750 4.120 -0.039 0.000 0.299 476 V C -0.986 175.199 176.094 0.152 0.000 1.034 476 V CA -0.932 61.413 62.300 0.075 0.000 0.863 476 V CB 0.736 32.572 31.823 0.022 0.000 0.999 476 V HN 0.943 nan 8.190 nan 0.000 0.423 477 V N 7.126 127.138 119.914 0.163 0.000 2.406 477 V HA 0.562 4.658 4.120 -0.039 0.000 0.272 477 V C -0.188 175.950 176.094 0.074 0.000 1.043 477 V CA -0.141 62.255 62.300 0.160 0.000 0.915 477 V CB 0.988 32.949 31.823 0.230 0.000 0.988 477 V HN 0.824 nan 8.190 nan 0.000 0.466 478 L N 6.215 127.460 121.223 0.036 0.000 2.307 478 L HA 0.542 4.859 4.340 -0.039 0.000 0.282 478 L C 0.374 177.219 176.870 -0.041 0.000 1.051 478 L CA -0.139 54.700 54.840 -0.003 0.000 0.804 478 L CB 1.860 43.915 42.059 -0.008 0.000 1.197 478 L HN 0.573 nan 8.230 nan 0.000 0.431 479 S N 1.022 116.702 115.700 -0.033 0.000 2.489 479 S HA 0.205 4.651 4.470 -0.039 0.000 0.291 479 S C -0.441 174.137 174.600 -0.037 0.000 1.151 479 S CA -0.389 57.784 58.200 -0.044 0.000 1.082 479 S CB 1.075 64.261 63.200 -0.024 0.000 1.019 479 S HN 0.740 nan 8.310 nan 0.000 0.492 480 D N 1.787 122.161 120.400 -0.043 0.000 3.082 480 D HA -0.174 4.443 4.640 -0.039 0.000 0.234 480 D C -0.150 176.135 176.300 -0.025 0.000 1.159 480 D CA 0.424 54.412 54.000 -0.020 0.000 0.875 480 D CB -1.263 39.545 40.800 0.014 0.000 0.946 480 D HN 0.593 nan 8.370 nan 0.000 0.411 481 I N -1.660 118.882 120.570 -0.046 0.000 2.638 481 I HA 0.398 4.545 4.170 -0.039 0.000 0.286 481 I C 0.700 176.798 176.117 -0.032 0.000 1.088 481 I CA -1.019 60.255 61.300 -0.044 0.000 1.397 481 I CB 0.571 38.531 38.000 -0.067 0.000 1.414 481 I HN 0.010 nan 8.210 nan 0.000 0.566 482 L N 4.165 125.373 121.223 -0.025 0.000 2.475 482 L HA 0.505 4.821 4.340 -0.039 0.000 0.253 482 L C 1.155 177.999 176.870 -0.043 0.000 1.198 482 L CA 0.499 55.330 54.840 -0.014 0.000 0.814 482 L CB 0.712 42.773 42.059 0.005 0.000 1.134 482 L HN 0.892 nan 8.230 nan 0.000 0.478 486 D N 0.500 120.764 120.400 -0.226 0.000 2.123 486 D HA -0.092 4.525 4.640 -0.039 0.000 0.200 486 D C 1.659 177.827 176.300 -0.220 0.000 0.976 486 D CA 1.639 55.483 54.000 -0.261 0.000 0.831 486 D CB 0.165 40.757 40.800 -0.348 0.000 0.974 486 D HN 0.302 nan 8.370 nan 0.000 0.469 487 H N -0.503 118.582 119.070 0.026 0.000 2.395 487 H HA 0.142 4.675 4.556 -0.039 0.000 0.299 487 H C 0.484 175.831 175.328 0.032 0.000 1.070 487 H CA 0.548 56.614 56.048 0.029 0.000 1.356 487 H CB -0.181 29.598 29.762 0.029 0.000 1.401 487 H HN 0.095 nan 8.280 nan 0.000 0.524 488 L N 1.802 123.106 121.223 0.134 0.000 2.422 488 L HA 0.490 4.807 4.340 -0.039 0.000 0.256 488 L C 0.417 177.320 176.870 0.055 0.000 1.202 488 L CA -0.501 54.395 54.840 0.093 0.000 1.119 488 L CB 0.366 42.480 42.059 0.091 0.000 1.383 488 L HN 0.338 nan 8.230 nan 0.000 0.411 489 G N -0.040 108.791 108.800 0.051 0.000 2.548 489 G HA2 0.254 4.190 3.960 -0.039 0.000 0.301 489 G HA3 0.254 4.190 3.960 -0.039 0.000 0.301 489 G C -0.643 174.282 174.900 0.042 0.000 1.349 489 G CA -0.312 44.812 45.100 0.041 0.000 0.792 489 G HN 0.141 nan 8.290 nan 0.000 0.481 490 D N -0.701 119.723 120.400 0.041 0.000 2.490 490 D HA 0.139 4.755 4.640 -0.039 0.000 0.244 490 D C 1.121 177.441 176.300 0.033 0.000 0.979 490 D CA 1.230 55.249 54.000 0.033 0.000 0.924 490 D CB 0.444 41.260 40.800 0.026 0.000 1.075 490 D HN 0.516 nan 8.370 nan 0.000 0.488 491 M N 0.308 119.939 119.600 0.051 0.000 2.531 491 M HA 0.470 4.927 4.480 -0.039 0.000 0.286 491 M C -2.309 174.055 176.300 0.106 0.000 1.232 491 M CA -0.866 54.478 55.300 0.072 0.000 0.877 491 M CB 3.154 35.795 32.600 0.069 0.000 1.726 491 M HN -0.249 nan 8.290 nan 0.000 0.463 492 D N 1.733 122.198 120.400 0.108 0.000 2.787 492 D HA 0.751 5.368 4.640 -0.039 0.000 0.246 492 D C -1.305 175.092 176.300 0.162 0.000 1.150 492 D CA -0.505 53.541 54.000 0.077 0.000 0.864 492 D CB 1.693 42.492 40.800 -0.002 0.000 1.481 492 D HN 0.709 nan 8.370 nan 0.000 0.509 493 F N -1.074 118.869 119.950 -0.012 0.000 2.591 493 F HA 0.652 5.156 4.527 -0.039 0.000 0.309 493 F C -1.186 174.610 175.800 -0.006 0.000 1.098 493 F CA -1.138 56.853 58.000 -0.014 0.000 0.937 493 F CB 1.947 40.935 39.000 -0.020 0.000 1.250 493 F HN 0.095 nan 8.300 nan 0.000 0.447 494 K N 3.306 123.757 120.400 0.085 0.000 2.274 494 K HA 0.675 4.972 4.320 -0.039 0.000 0.262 494 K C -1.511 175.141 176.600 0.087 0.000 0.961 494 K CA -0.986 55.306 56.287 0.008 0.000 0.833 494 K CB 2.553 35.055 32.500 0.003 0.000 1.102 494 K HN 0.595 nan 8.250 nan 0.000 0.436 495 V N 2.313 122.266 119.914 0.065 0.000 2.384 495 V HA 0.603 4.700 4.120 -0.039 0.000 0.287 495 V C -0.474 175.641 176.094 0.035 0.000 1.020 495 V CA -0.870 61.482 62.300 0.087 0.000 0.850 495 V CB 1.350 33.255 31.823 0.137 0.000 0.987 495 V HN 0.875 nan 8.190 nan 0.000 0.436 496 A N 3.619 126.451 122.820 0.020 0.000 2.343 496 A HA 1.031 5.327 4.320 -0.039 0.000 0.316 496 A C 0.117 177.698 177.584 -0.005 0.000 1.104 496 A CA 0.071 52.107 52.037 -0.001 0.000 0.768 496 A CB 1.703 20.693 19.000 -0.017 0.000 1.213 496 A HN 1.399 nan 8.150 nan 0.000 0.456 497 G N 0.006 108.800 108.800 -0.009 0.000 2.441 497 G HA2 0.599 4.535 3.960 -0.039 0.000 0.294 497 G HA3 0.599 4.535 3.960 -0.039 0.000 0.294 497 G C -0.213 174.678 174.900 -0.014 0.000 1.393 497 G CA 0.243 45.335 45.100 -0.013 0.000 0.796 497 G HN 1.591 nan 8.290 nan 0.000 0.494 498 S N -0.747 114.943 115.700 -0.017 0.000 2.566 498 S HA 0.421 4.867 4.470 -0.039 0.000 0.277 498 S C 1.488 176.084 174.600 -0.006 0.000 1.150 498 S CA 0.076 58.267 58.200 -0.016 0.000 1.032 498 S CB 1.335 64.522 63.200 -0.021 0.000 1.157 498 S HN 0.791 nan 8.310 nan 0.000 0.507 499 R N -0.057 120.439 120.500 -0.006 0.000 2.189 499 R HA -0.017 4.299 4.340 -0.039 0.000 0.218 499 R C 0.747 177.048 176.300 0.001 0.000 1.074 499 R CA 1.437 57.537 56.100 0.001 0.000 0.991 499 R CB -0.295 30.005 30.300 0.001 0.000 0.883 499 R HN 0.663 nan 8.270 nan 0.000 0.457 500 D N -1.244 119.153 120.400 -0.005 0.000 2.323 500 D HA 0.120 4.737 4.640 -0.039 0.000 0.218 500 D C 0.750 177.044 176.300 -0.010 0.000 0.973 500 D CA 1.059 55.055 54.000 -0.007 0.000 0.890 500 D CB 0.760 41.554 40.800 -0.010 0.000 1.011 500 D HN 0.346 nan 8.370 nan 0.000 0.499 501 G N -0.255 108.537 108.800 -0.013 0.000 2.782 501 G HA2 0.602 4.538 3.960 -0.039 0.000 0.304 501 G HA3 0.602 4.538 3.960 -0.039 0.000 0.304 501 G C -1.465 173.425 174.900 -0.017 0.000 1.315 501 G CA -0.673 44.416 45.100 -0.019 0.000 0.791 501 G HN -0.023 nan 8.290 nan 0.000 0.519 502 I N 1.298 121.854 120.570 -0.023 0.000 2.378 502 I HA 0.252 4.398 4.170 -0.039 0.000 0.291 502 I C 1.252 177.355 176.117 -0.025 0.000 0.992 502 I CA -0.584 60.706 61.300 -0.017 0.000 1.154 502 I CB 2.329 40.323 38.000 -0.011 0.000 1.315 502 I HN 0.597 nan 8.210 nan 0.000 0.448 503 S N 4.100 119.787 115.700 -0.022 0.000 2.456 503 S HA 0.410 4.857 4.470 -0.039 0.000 0.224 503 S C 0.641 175.227 174.600 -0.023 0.000 1.035 503 S CA 0.066 58.249 58.200 -0.027 0.000 0.940 503 S CB 0.431 63.611 63.200 -0.033 0.000 0.799 503 S HN 0.688 nan 8.310 nan 0.000 0.508 504 A N 0.563 123.374 122.820 -0.016 0.000 2.520 504 A HA 0.779 5.076 4.320 -0.039 0.000 0.298 504 A C -1.701 175.886 177.584 0.006 0.000 1.051 504 A CA -0.641 51.388 52.037 -0.013 0.000 0.690 504 A CB 1.687 20.671 19.000 -0.027 0.000 1.281 504 A HN 0.588 nan 8.150 nan 0.000 0.402 505 L N 1.156 122.385 121.223 0.010 0.000 2.491 505 L HA 0.568 4.885 4.340 -0.039 0.000 0.267 505 L C -0.685 176.202 176.870 0.028 0.000 0.971 505 L CA 0.121 54.981 54.840 0.034 0.000 0.857 505 L CB 1.861 43.933 42.059 0.021 0.000 1.226 505 L HN 0.837 nan 8.230 nan 0.000 0.408 506 Q N 5.174 125.006 119.800 0.053 0.000 2.337 506 Q HA 0.742 5.059 4.340 -0.039 0.000 0.266 506 Q C -1.666 174.387 176.000 0.089 0.000 1.023 506 Q CA -0.673 55.154 55.803 0.039 0.000 0.829 506 Q CB 1.832 30.576 28.738 0.009 0.000 1.306 506 Q HN 0.789 nan 8.270 nan 0.000 0.449 507 M N 2.526 122.158 119.600 0.052 0.000 2.457 507 M HA 0.438 4.895 4.480 -0.039 0.000 0.300 507 M C -1.541 174.781 176.300 0.037 0.000 1.141 507 M CA -0.742 54.598 55.300 0.067 0.000 0.901 507 M CB 2.354 34.946 32.600 -0.012 0.000 1.687 507 M HN 0.478 nan 8.290 nan 0.000 0.449 508 D N 3.570 124.002 120.400 0.055 0.000 2.358 508 D HA 0.441 5.057 4.640 -0.039 0.000 0.253 508 D C -1.276 175.042 176.300 0.030 0.000 1.288 508 D CA -0.163 53.856 54.000 0.032 0.000 0.950 508 D CB 1.598 42.416 40.800 0.030 0.000 1.197 508 D HN 0.317 nan 8.370 nan 0.000 0.550 509 I N 1.448 122.021 120.570 0.004 0.000 2.392 509 I HA 0.346 4.492 4.170 -0.039 0.000 0.295 509 I C 1.370 177.481 176.117 -0.009 0.000 0.985 509 I CA -0.143 61.151 61.300 -0.010 0.000 1.221 509 I CB 1.649 39.620 38.000 -0.048 0.000 1.366 509 I HN 0.336 nan 8.210 nan 0.000 0.467 510 K N 5.634 126.031 120.400 -0.005 0.000 2.477 510 K HA 0.465 4.762 4.320 -0.039 0.000 0.208 510 K C 0.033 176.623 176.600 -0.017 0.000 1.117 510 K CA 0.022 56.306 56.287 -0.004 0.000 1.039 510 K CB 0.108 32.620 32.500 0.019 0.000 0.937 510 K HN 0.621 nan 8.250 nan 0.000 0.570 511 I N 0.803 121.357 120.570 -0.027 0.000 2.603 511 I HA 0.296 4.443 4.170 -0.039 0.000 0.300 511 I C -0.441 175.644 176.117 -0.053 0.000 1.017 511 I CA -0.938 60.342 61.300 -0.033 0.000 1.098 511 I CB 2.108 40.094 38.000 -0.022 0.000 1.279 511 I HN 0.375 nan 8.210 nan 0.000 0.437 512 E N 5.969 126.138 120.200 -0.051 0.000 2.316 512 E HA 0.322 4.648 4.350 -0.039 0.000 0.275 512 E C 0.153 176.716 176.600 -0.062 0.000 1.029 512 E CA 0.383 56.748 56.400 -0.060 0.000 0.871 512 E CB 0.707 30.375 29.700 -0.053 0.000 1.022 512 E HN 0.948 nan 8.360 nan 0.000 0.418 513 G N 5.113 113.867 108.800 -0.076 0.000 2.414 513 G HA2 -0.195 3.741 3.960 -0.039 0.000 0.256 513 G HA3 -0.195 3.741 3.960 -0.039 0.000 0.256 513 G C -0.138 174.700 174.900 -0.103 0.000 1.128 513 G CA -0.083 44.970 45.100 -0.079 0.000 0.944 513 G HN 0.572 nan 8.290 nan 0.000 0.500 514 I N 1.660 122.153 120.570 -0.130 0.000 2.297 514 I HA 0.271 4.418 4.170 -0.039 0.000 0.291 514 I C 1.164 177.177 176.117 -0.173 0.000 1.033 514 I CA -0.296 60.903 61.300 -0.168 0.000 1.253 514 I CB 1.342 39.238 38.000 -0.174 0.000 1.396 514 I HN 0.256 nan 8.210 nan 0.000 0.476 515 T N 4.708 119.159 114.554 -0.172 0.000 2.868 515 T HA 0.203 4.530 4.350 -0.039 0.000 0.292 515 T C 1.287 175.897 174.700 -0.151 0.000 1.028 515 T CA 0.106 62.122 62.100 -0.140 0.000 1.059 515 T CB 1.221 70.027 68.868 -0.104 0.000 0.991 515 T HN 0.776 nan 8.240 nan 0.000 0.531 516 K N 1.490 121.819 120.400 -0.118 0.000 2.283 516 K HA 0.082 4.378 4.320 -0.039 0.000 0.202 516 K C 2.249 178.795 176.600 -0.089 0.000 1.048 516 K CA 1.893 58.114 56.287 -0.110 0.000 0.948 516 K CB -1.502 30.949 32.500 -0.082 0.000 0.742 516 K HN 0.898 nan 8.250 nan 0.000 0.458 517 E N 0.099 120.256 120.200 -0.071 0.000 2.152 517 E HA 0.167 4.493 4.350 -0.039 0.000 0.192 517 E C 2.374 178.951 176.600 -0.038 0.000 0.983 517 E CA 1.522 57.902 56.400 -0.034 0.000 0.818 517 E CB -1.107 28.590 29.700 -0.005 0.000 0.758 517 E HN 0.926 nan 8.360 nan 0.000 0.467 518 I N -0.078 120.411 120.570 -0.135 0.000 2.353 518 I HA 0.132 4.279 4.170 -0.039 0.000 0.248 518 I C 2.738 178.745 176.117 -0.183 0.000 1.119 518 I CA 1.949 63.086 61.300 -0.273 0.000 1.417 518 I CB -0.760 36.851 38.000 -0.648 0.000 1.078 518 I HN 0.454 nan 8.210 nan 0.000 0.421 519 M N -0.781 118.705 119.600 -0.189 0.000 2.319 519 M HA -0.135 4.321 4.480 -0.039 0.000 0.265 519 M C 2.391 178.608 176.300 -0.137 0.000 1.068 519 M CA 1.836 57.008 55.300 -0.213 0.000 1.118 519 M CB -0.118 32.331 32.600 -0.251 0.000 1.395 519 M HN 0.684 nan 8.290 nan 0.000 0.435 520 Q N 0.761 120.514 119.800 -0.077 0.000 2.084 520 Q HA -0.115 4.201 4.340 -0.039 0.000 0.202 520 Q C 1.656 177.663 176.000 0.012 0.000 0.978 520 Q CA 1.935 57.720 55.803 -0.030 0.000 0.844 520 Q CB -0.413 28.316 28.738 -0.014 0.000 0.898 520 Q HN 0.359 nan 8.270 nan 0.000 0.426 521 V N 0.728 120.670 119.914 0.047 0.000 2.453 521 V HA -0.136 3.960 4.120 -0.039 0.000 0.247 521 V C 2.302 178.469 176.094 0.121 0.000 1.048 521 V CA 1.480 63.839 62.300 0.098 0.000 1.049 521 V CB -1.217 30.708 31.823 0.170 0.000 0.672 521 V HN 0.505 nan 8.190 nan 0.000 0.457 522 A N -0.168 122.721 122.820 0.115 0.000 1.933 522 A HA -0.136 4.161 4.320 -0.039 0.000 0.218 522 A C 2.087 179.841 177.584 0.283 0.000 1.175 522 A CA 1.671 53.837 52.037 0.215 0.000 0.628 522 A CB -0.458 18.619 19.000 0.128 0.000 0.814 522 A HN 0.442 nan 8.150 nan 0.000 0.444 523 L N -0.141 121.145 121.223 0.105 0.000 2.240 523 L HA -0.025 4.291 4.340 -0.039 0.000 0.211 523 L C 2.121 179.059 176.870 0.114 0.000 1.106 523 L CA 1.449 56.366 54.840 0.127 0.000 0.793 523 L CB -0.610 41.454 42.059 0.007 0.000 0.927 523 L HN 0.480 nan 8.230 nan 0.000 0.446 524 N N -0.576 118.176 118.700 0.086 0.000 2.216 524 N HA -0.216 4.501 4.740 -0.039 0.000 0.183 524 N C 1.869 177.423 175.510 0.074 0.000 1.017 524 N CA 1.125 54.216 53.050 0.068 0.000 0.861 524 N CB 0.052 38.571 38.487 0.053 0.000 0.986 524 N HN 0.384 nan 8.380 nan 0.000 0.428 525 Q N -0.782 119.074 119.800 0.094 0.000 2.172 525 Q HA 0.054 4.370 4.340 -0.039 0.000 0.200 525 Q C 1.693 177.738 176.000 0.076 0.000 0.964 525 Q CA 1.162 57.011 55.803 0.078 0.000 0.855 525 Q CB -0.110 28.678 28.738 0.084 0.000 0.918 525 Q HN 0.465 nan 8.270 nan 0.000 0.444 526 A N 0.870 123.759 122.820 0.114 0.000 2.014 526 A HA -0.159 4.138 4.320 -0.039 0.000 0.218 526 A C 1.948 179.579 177.584 0.079 0.000 1.163 526 A CA 1.307 53.403 52.037 0.098 0.000 0.652 526 A CB -0.345 18.770 19.000 0.192 0.000 0.808 526 A HN 0.295 nan 8.150 nan 0.000 0.449 527 K N -0.518 119.929 120.400 0.078 0.000 2.025 527 K HA -0.090 4.207 4.320 -0.039 0.000 0.207 527 K C 1.974 178.607 176.600 0.055 0.000 1.049 527 K CA 1.322 57.645 56.287 0.059 0.000 0.933 527 K CB -0.491 32.038 32.500 0.050 0.000 0.714 527 K HN 0.375 nan 8.250 nan 0.000 0.438 528 G N -0.025 108.807 108.800 0.053 0.000 2.509 528 G HA2 -0.162 3.774 3.960 -0.039 0.000 0.218 528 G HA3 -0.162 3.774 3.960 -0.039 0.000 0.218 528 G C 1.409 176.351 174.900 0.070 0.000 1.124 528 G CA 0.772 45.904 45.100 0.053 0.000 0.776 528 G HN 0.425 nan 8.290 nan 0.000 0.547 529 A N 1.695 124.554 122.820 0.065 0.000 1.872 529 A HA 0.032 4.329 4.320 -0.039 0.000 0.214 529 A C 2.367 180.020 177.584 0.115 0.000 1.187 529 A CA 1.623 53.708 52.037 0.079 0.000 0.614 529 A CB -0.331 18.696 19.000 0.046 0.000 0.826 529 A HN 0.468 nan 8.150 nan 0.000 0.442 530 R N -0.220 120.328 120.500 0.081 0.000 2.153 530 R HA 0.156 4.473 4.340 -0.039 0.000 0.218 530 R C 1.598 177.939 176.300 0.068 0.000 1.072 530 R CA 1.232 57.372 56.100 0.068 0.000 0.990 530 R CB -0.619 29.705 30.300 0.041 0.000 0.889 530 R HN 0.405 nan 8.270 nan 0.000 0.452 531 L N 0.391 121.660 121.223 0.076 0.000 2.141 531 L HA -0.101 4.215 4.340 -0.039 0.000 0.209 531 L C 2.579 179.505 176.870 0.094 0.000 1.094 531 L CA 1.449 56.330 54.840 0.069 0.000 0.763 531 L CB -0.508 41.589 42.059 0.063 0.000 0.908 531 L HN 0.336 nan 8.230 nan 0.000 0.437 532 H N 0.287 119.376 119.070 0.032 0.000 2.395 532 H HA -0.075 4.457 4.556 -0.039 0.000 0.299 532 H C 2.109 177.469 175.328 0.052 0.000 1.070 532 H CA 1.544 57.614 56.048 0.036 0.000 1.356 532 H CB 0.095 29.877 29.762 0.032 0.000 1.401 532 H HN 0.197 nan 8.280 nan 0.000 0.524 533 I N -0.192 120.385 120.570 0.012 0.000 2.286 533 I HA -0.208 3.938 4.170 -0.039 0.000 0.245 533 I C 2.111 178.228 176.117 0.001 0.000 1.104 533 I CA 0.857 62.164 61.300 0.011 0.000 1.397 533 I CB -0.202 37.870 38.000 0.119 0.000 1.072 533 I HN 0.226 nan 8.210 nan 0.000 0.417 534 L N 0.575 121.800 121.223 0.004 0.000 2.131 534 L HA -0.116 4.200 4.340 -0.039 0.000 0.210 534 L C 2.613 179.476 176.870 -0.013 0.000 1.092 534 L CA 1.362 56.200 54.840 -0.002 0.000 0.759 534 L CB -0.934 41.126 42.059 0.002 0.000 0.903 534 L HN 0.331 nan 8.230 nan 0.000 0.435 535 G N -0.677 108.103 108.800 -0.033 0.000 2.408 535 G HA2 -0.156 3.780 3.960 -0.039 0.000 0.217 535 G HA3 -0.156 3.780 3.960 -0.039 0.000 0.217 535 G C 1.536 176.403 174.900 -0.055 0.000 1.150 535 G CA 0.828 45.904 45.100 -0.039 0.000 0.776 535 G HN 0.210 nan 8.290 nan 0.000 0.542 536 V N 0.758 120.614 119.914 -0.097 0.000 2.488 536 V HA -0.063 4.033 4.120 -0.039 0.000 0.246 536 V C 2.805 178.899 176.094 0.000 0.000 1.046 536 V CA 1.604 63.862 62.300 -0.069 0.000 1.053 536 V CB -0.330 31.423 31.823 -0.116 0.000 0.679 536 V HN 0.327 nan 8.190 nan 0.000 0.458 537 M N -0.221 119.397 119.600 0.030 0.000 2.159 537 M HA -0.188 4.269 4.480 -0.039 0.000 0.263 537 M C 2.183 178.498 176.300 0.025 0.000 1.063 537 M CA 1.695 57.029 55.300 0.057 0.000 1.110 537 M CB -0.379 32.252 32.600 0.052 0.000 1.374 537 M HN 0.337 nan 8.290 nan 0.000 0.411 538 E N 0.056 120.261 120.200 0.008 0.000 2.409 538 E HA -0.193 4.134 4.350 -0.039 0.000 0.198 538 E C 1.705 178.308 176.600 0.004 0.000 1.024 538 E CA 0.811 57.213 56.400 0.003 0.000 0.861 538 E CB 0.230 29.929 29.700 -0.001 0.000 0.788 538 E HN 0.600 nan 8.360 nan 0.000 0.521 539 Q N -0.692 119.111 119.800 0.005 0.000 2.200 539 Q HA 0.076 4.392 4.340 -0.039 0.000 0.197 539 Q C 2.115 178.120 176.000 0.009 0.000 0.953 539 Q CA 0.848 56.653 55.803 0.004 0.000 0.851 539 Q CB 0.094 28.832 28.738 -0.000 0.000 0.938 539 Q HN 0.244 nan 8.270 nan 0.000 0.488 540 A N 0.967 123.796 122.820 0.015 0.000 1.855 540 A HA 0.096 4.393 4.320 -0.039 0.000 0.215 540 A C 1.130 178.725 177.584 0.018 0.000 1.191 540 A CA 1.575 53.623 52.037 0.019 0.000 0.613 540 A CB -0.537 18.482 19.000 0.030 0.000 0.829 540 A HN 0.321 nan 8.150 nan 0.000 0.442 541 I N -2.068 118.514 120.570 0.020 0.000 2.478 541 I HA 0.693 4.839 4.170 -0.039 0.000 0.287 541 I C 0.318 176.439 176.117 0.008 0.000 1.042 541 I CA 0.177 61.486 61.300 0.015 0.000 1.067 541 I CB 0.416 38.428 38.000 0.019 0.000 1.233 541 I HN 0.545 nan 8.210 nan 0.000 0.431 542 N N 3.038 121.739 118.700 0.003 0.000 2.445 542 N HA 0.773 5.489 4.740 -0.039 0.000 0.204 542 N C 0.697 176.203 175.510 -0.007 0.000 1.098 542 N CA 1.013 54.062 53.050 -0.002 0.000 0.859 542 N CB 0.689 39.176 38.487 -0.000 0.000 1.249 542 N HN 2.211 nan 8.380 nan 0.000 0.462 543 A N 0.739 123.555 122.820 -0.007 0.000 2.475 543 A HA 0.788 5.084 4.320 -0.039 0.000 0.301 543 A C -2.669 174.907 177.584 -0.014 0.000 1.059 543 A CA -1.249 50.781 52.037 -0.011 0.000 0.710 543 A CB 1.304 20.299 19.000 -0.007 0.000 1.288 543 A HN 0.261 nan 8.150 nan 0.000 0.408 544 P HA 0.568 nan 4.420 nan 0.000 0.282 544 P C 0.576 177.868 177.300 -0.015 0.000 1.286 544 P CA 0.736 63.819 63.100 -0.028 0.000 0.777 544 P CB 0.127 31.793 31.700 -0.055 0.000 1.184 545 R N 0.000 120.493 120.500 -0.012 0.000 2.786 545 R HA 0.000 4.317 4.340 -0.039 0.000 0.208 545 R CA 0.000 56.100 56.100 -0.000 0.000 0.921 545 R CB 0.000 30.303 30.300 0.005 0.000 0.687 545 R HN 0.000 nan 8.270 nan 0.000 0.535