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 3cdi_1_A DATA FIRST_RESID 25 DATA SEQUENCE LNPIVRKFQY GQHTVTLETG MMARQATAAV MVSMDDTAVF VTVVGQKKAK DATA SEQUENCE PGQDFFPLTV NYQERTYAAG RIPGXXXXXX XRPSEGETLI ARLIDRPIRP DATA SEQUENCE LFPEGFVNEV QVIATVVSVN PQVNPDIVAM IGASAALSLS GIPFNGPIGA DATA SEQUENCE ARVGYINDQY VLNPTQDELK ESKLDLVVAG TEAAVLMVES EAQLLSEDQM DATA SEQUENCE LGAVVFGHEQ QQVVIQNINE LVKEAGKPRW DWQPEPVNEA LNARVAALAE DATA SEQUENCE ARLSDAYRIT DKQERYAQVD VIKSETIATL LAEDETLDEN ELGEILHAIE DATA SEQUENCE KNVVRSRVLA GEPRIDGREK DMIRGLDVRT GVLPRTHGSA LFTRGETQAL DATA SEQUENCE VTATLGTXXX XXXXXXXXXX RTDTFLFHYN FPPYSVGETG MVXXXXXREI DATA SEQUENCE GHGRLAKRGV LAVMPDMDKF PYTVRVVSEI TESNGSSSMA SVCGASLALM DATA SEQUENCE DAGVPIKAAV AGIAMGLVKE GDNYVVLSDI LGDEDHLGDM DFKVAGSRDG DATA SEQUENCE ISALQMDIKI EGITKEIMQV ALNQAKGARL HILGVMEQAI N 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 25 L HA 0.000 nan 4.340 nan 0.000 0.249 25 L C 0.000 176.875 176.870 0.008 0.000 1.165 25 L CA 0.000 54.844 54.840 0.008 0.000 0.813 25 L CB 0.000 42.061 42.059 0.003 0.000 0.961 26 N N 5.345 124.053 118.700 0.013 0.000 2.491 26 N HA 0.757 5.498 4.740 0.001 0.000 0.274 26 N C -2.873 172.648 175.510 0.019 0.000 1.023 26 N CA -1.298 51.760 53.050 0.014 0.000 0.902 26 N CB 1.751 40.247 38.487 0.014 0.000 1.267 26 N HN 0.311 nan 8.380 nan 0.000 0.503 27 P HA 0.340 nan 4.420 nan 0.000 0.277 27 P C -0.775 176.542 177.300 0.028 0.000 1.240 27 P CA -0.386 62.730 63.100 0.026 0.000 0.798 27 P CB 1.219 32.932 31.700 0.022 0.000 0.979 28 I N 2.679 123.270 120.570 0.035 0.000 2.390 28 I HA 0.227 4.397 4.170 0.001 0.000 0.283 28 I C 0.323 176.464 176.117 0.041 0.000 1.016 28 I CA -0.878 60.443 61.300 0.034 0.000 1.151 28 I CB 1.297 39.317 38.000 0.033 0.000 1.293 28 I HN 0.066 nan 8.210 nan 0.000 0.458 29 V N 7.138 127.076 119.914 0.039 0.000 2.716 29 V HA 0.599 4.720 4.120 0.001 0.000 0.304 29 V C 0.333 176.460 176.094 0.055 0.000 1.053 29 V CA -0.752 61.577 62.300 0.047 0.000 0.984 29 V CB 2.423 34.270 31.823 0.040 0.000 1.021 29 V HN 0.591 nan 8.190 nan 0.000 0.467 30 R N 2.919 123.465 120.500 0.075 0.000 2.512 30 R HA 0.425 4.766 4.340 0.001 0.000 0.291 30 R C -1.289 175.104 176.300 0.155 0.000 1.097 30 R CA -0.548 55.611 56.100 0.098 0.000 0.940 30 R CB 1.789 32.142 30.300 0.088 0.000 1.198 30 R HN 0.794 nan 8.270 nan 0.000 0.429 31 K N 3.590 124.079 120.400 0.149 0.000 2.259 31 K HA 0.612 4.932 4.320 0.001 0.000 0.249 31 K C -1.207 175.545 176.600 0.252 0.000 0.942 31 K CA -0.574 55.800 56.287 0.144 0.000 0.816 31 K CB 1.387 33.920 32.500 0.055 0.000 1.155 31 K HN 0.420 nan 8.250 nan 0.000 0.428 32 F N -0.456 119.507 119.950 0.022 0.000 2.703 32 F HA 0.352 4.880 4.527 0.001 0.000 0.308 32 F C -1.407 174.427 175.800 0.057 0.000 1.126 32 F CA -1.200 56.814 58.000 0.024 0.000 0.959 32 F CB 1.305 40.304 39.000 -0.002 0.000 1.297 32 F HN 0.270 nan 8.300 nan 0.000 0.441 33 Q N 2.049 121.927 119.800 0.130 0.000 2.267 33 Q HA 0.289 4.630 4.340 0.001 0.000 0.255 33 Q C -1.697 174.448 176.000 0.242 0.000 0.923 33 Q CA -0.287 55.559 55.803 0.072 0.000 0.925 33 Q CB 0.961 29.753 28.738 0.091 0.000 1.195 33 Q HN 0.778 nan 8.270 nan 0.000 0.417 34 Y N 3.251 123.543 120.300 -0.013 0.000 2.726 34 Y HA 0.404 4.954 4.550 0.001 0.000 0.367 34 Y C 0.391 176.328 175.900 0.063 0.000 1.038 34 Y CA -0.731 57.426 58.100 0.096 0.000 1.174 34 Y CB 0.239 38.743 38.460 0.072 0.000 1.265 34 Y HN 0.882 nan 8.280 nan 0.000 0.622 35 G N 4.613 113.488 108.800 0.125 0.000 2.427 35 G HA2 -0.338 3.623 3.960 0.001 0.000 0.189 35 G HA3 -0.338 3.623 3.960 0.001 0.000 0.189 35 G C 0.161 174.984 174.900 -0.128 0.000 0.418 35 G CA 1.272 46.360 45.100 -0.020 0.000 0.950 35 G HN 0.961 nan 8.290 nan 0.000 0.372 36 Q N 0.154 119.878 119.800 -0.127 0.000 2.608 36 Q HA -0.266 4.074 4.340 0.001 0.000 0.154 36 Q C 0.365 176.164 176.000 -0.335 0.000 1.090 36 Q CA 2.344 57.990 55.803 -0.262 0.000 1.183 36 Q CB -1.246 27.256 28.738 -0.393 0.000 1.087 36 Q HN 1.059 nan 8.270 nan 0.000 1.015 37 H N -0.438 118.611 119.070 -0.036 0.000 2.679 37 H HA 0.522 5.079 4.556 0.001 0.000 0.367 37 H C -0.796 174.502 175.328 -0.049 0.000 1.162 37 H CA -0.076 55.950 56.048 -0.037 0.000 1.181 37 H CB 2.111 31.848 29.762 -0.042 0.000 1.693 37 H HN 0.094 nan 8.280 nan 0.000 0.538 38 T N 2.029 116.629 114.554 0.076 0.000 2.749 38 T HA 0.406 4.756 4.350 0.001 0.000 0.287 38 T C -0.814 173.793 174.700 -0.155 0.000 0.970 38 T CA -0.659 61.403 62.100 -0.063 0.000 0.980 38 T CB 0.054 68.900 68.868 -0.036 0.000 0.924 38 T HN 0.252 nan 8.240 nan 0.000 0.456 39 V N 5.366 125.030 119.914 -0.416 0.000 2.398 39 V HA 0.608 4.729 4.120 0.001 0.000 0.286 39 V C 0.614 176.489 176.094 -0.366 0.000 1.026 39 V CA -0.718 61.301 62.300 -0.469 0.000 0.868 39 V CB 1.608 32.926 31.823 -0.840 0.000 0.982 39 V HN 1.030 nan 8.190 nan 0.000 0.443 40 T N 6.426 120.906 114.554 -0.124 0.000 2.829 40 T HA 0.707 5.058 4.350 0.001 0.000 0.280 40 T C -0.988 173.743 174.700 0.052 0.000 0.999 40 T CA -0.488 61.603 62.100 -0.016 0.000 0.983 40 T CB 0.767 69.633 68.868 -0.003 0.000 0.968 40 T HN 0.448 nan 8.240 nan 0.000 0.446 41 L N 4.465 125.747 121.223 0.098 0.000 2.316 41 L HA 0.571 4.911 4.340 0.001 0.000 0.280 41 L C 0.055 176.976 176.870 0.085 0.000 1.006 41 L CA -0.750 54.152 54.840 0.104 0.000 0.836 41 L CB 1.577 43.714 42.059 0.129 0.000 1.221 41 L HN 0.673 nan 8.230 nan 0.000 0.418 42 E N 2.511 122.763 120.200 0.086 0.000 2.171 42 E HA 0.565 4.915 4.350 0.001 0.000 0.271 42 E C -1.261 175.400 176.600 0.102 0.000 0.916 42 E CA -0.217 56.232 56.400 0.081 0.000 0.774 42 E CB 2.282 32.025 29.700 0.073 0.000 1.128 42 E HN 0.501 nan 8.360 nan 0.000 0.403 43 T N 1.579 116.184 114.554 0.085 0.000 2.868 43 T HA 0.560 4.911 4.350 0.001 0.000 0.306 43 T C 0.310 175.054 174.700 0.075 0.000 1.224 43 T CA 0.546 62.702 62.100 0.092 0.000 1.012 43 T CB 1.276 70.184 68.868 0.067 0.000 1.221 43 T HN 0.715 nan 8.240 nan 0.000 0.499 44 G N 2.334 111.183 108.800 0.082 0.000 2.176 44 G HA2 -0.222 3.739 3.960 0.001 0.000 0.232 44 G HA3 -0.222 3.739 3.960 0.001 0.000 0.232 44 G C 0.644 175.578 174.900 0.056 0.000 0.986 44 G CA 0.776 45.914 45.100 0.063 0.000 0.643 44 G HN 0.808 nan 8.290 nan 0.000 0.522 45 M N -0.532 119.103 119.600 0.059 0.000 2.449 45 M HA 0.606 5.086 4.480 0.001 0.000 0.262 45 M C 0.692 177.006 176.300 0.023 0.000 1.152 45 M CA 0.408 55.727 55.300 0.031 0.000 1.104 45 M CB 0.413 33.021 32.600 0.013 0.000 1.416 45 M HN 0.208 nan 8.290 nan 0.000 0.519 46 M N 0.576 120.211 119.600 0.059 0.000 2.528 46 M HA 0.512 4.992 4.480 0.001 0.000 0.321 46 M C 0.360 176.781 176.300 0.202 0.000 1.153 46 M CA -0.476 54.849 55.300 0.041 0.000 0.951 46 M CB 1.907 34.388 32.600 -0.198 0.000 1.705 46 M HN 0.168 nan 8.290 nan 0.000 0.451 47 A N 1.606 124.526 122.820 0.167 0.000 2.312 47 A HA -0.221 4.099 4.320 0.001 0.000 0.286 47 A C 0.762 178.431 177.584 0.142 0.000 1.425 47 A CA 0.860 53.014 52.037 0.195 0.000 0.748 47 A CB -1.265 17.939 19.000 0.341 0.000 1.126 47 A HN 0.976 nan 8.150 nan 0.000 0.368 48 R N -0.355 120.202 120.500 0.096 0.000 2.316 48 R HA -0.041 4.299 4.340 0.001 0.000 0.202 48 R C 2.050 178.390 176.300 0.068 0.000 1.029 48 R CA 1.513 57.659 56.100 0.077 0.000 1.018 48 R CB -0.058 30.276 30.300 0.057 0.000 0.888 48 R HN 0.856 nan 8.270 nan 0.000 0.471 49 Q N -0.040 119.801 119.800 0.068 0.000 2.331 49 Q HA 0.185 4.526 4.340 0.001 0.000 0.203 49 Q C 0.372 176.411 176.000 0.065 0.000 0.944 49 Q CA 0.290 56.129 55.803 0.060 0.000 0.892 49 Q CB 0.368 29.137 28.738 0.052 0.000 0.983 49 Q HN 0.290 nan 8.270 nan 0.000 0.482 50 A N 0.405 123.265 122.820 0.068 0.000 2.406 50 A HA 0.060 4.381 4.320 0.001 0.000 0.243 50 A C 1.119 178.744 177.584 0.068 0.000 1.082 50 A CA -0.016 52.055 52.037 0.057 0.000 0.786 50 A CB 0.323 19.342 19.000 0.032 0.000 1.029 50 A HN 0.192 nan 8.150 nan 0.000 0.495 51 T N 0.473 115.075 114.554 0.080 0.000 2.897 51 T HA 0.260 4.610 4.350 0.001 0.000 0.271 51 T C 0.657 175.403 174.700 0.077 0.000 1.084 51 T CA 1.789 63.960 62.100 0.118 0.000 1.123 51 T CB -0.445 68.518 68.868 0.158 0.000 0.865 51 T HN 1.726 nan 8.240 nan 0.000 0.496 52 A N -0.516 122.322 122.820 0.031 0.000 2.586 52 A HA 0.701 5.021 4.320 0.001 0.000 0.298 52 A C -1.677 175.885 177.584 -0.037 0.000 1.013 52 A CA -0.425 51.615 52.037 0.007 0.000 0.707 52 A CB 0.350 19.341 19.000 -0.015 0.000 1.276 52 A HN 0.600 nan 8.150 nan 0.000 0.414 53 A N 0.567 123.369 122.820 -0.030 0.000 2.517 53 A HA 0.798 5.119 4.320 0.001 0.000 0.297 53 A C -1.302 176.259 177.584 -0.038 0.000 1.050 53 A CA -0.383 51.583 52.037 -0.118 0.000 0.694 53 A CB 1.497 20.458 19.000 -0.065 0.000 1.277 53 A HN 1.950 nan 8.150 nan 0.000 0.400 54 V N 2.686 122.522 119.914 -0.131 0.000 2.709 54 V HA 0.551 4.672 4.120 0.001 0.000 0.308 54 V C -0.542 175.625 176.094 0.121 0.000 1.062 54 V CA -0.607 61.711 62.300 0.030 0.000 0.901 54 V CB 2.081 33.904 31.823 -0.001 0.000 1.003 54 V HN 0.909 nan 8.190 nan 0.000 0.425 55 M N 4.466 124.231 119.600 0.276 0.000 2.080 55 M HA 0.458 4.938 4.480 0.001 0.000 0.350 55 M C -0.878 175.517 176.300 0.159 0.000 1.143 55 M CA -0.349 55.145 55.300 0.324 0.000 1.064 55 M CB 1.035 33.801 32.600 0.278 0.000 1.429 55 M HN 0.474 nan 8.290 nan 0.000 0.418 56 V N 3.059 123.046 119.914 0.123 0.000 2.481 56 V HA 0.508 4.628 4.120 0.001 0.000 0.286 56 V C 0.237 176.373 176.094 0.069 0.000 1.042 56 V CA -0.332 62.019 62.300 0.085 0.000 0.928 56 V CB 1.726 33.593 31.823 0.072 0.000 0.986 56 V HN 0.876 nan 8.190 nan 0.000 0.462 57 S N 4.970 120.694 115.700 0.041 0.000 2.536 57 S HA 0.794 5.265 4.470 0.001 0.000 0.287 57 S C -0.884 173.705 174.600 -0.019 0.000 1.101 57 S CA -0.684 57.527 58.200 0.018 0.000 0.950 57 S CB 1.281 64.492 63.200 0.019 0.000 1.056 57 S HN 0.774 nan 8.310 nan 0.000 0.481 58 M N 4.044 123.624 119.600 -0.034 0.000 2.098 58 M HA 0.355 4.836 4.480 0.001 0.000 0.265 58 M C -1.216 175.017 176.300 -0.112 0.000 0.940 58 M CA 0.021 55.276 55.300 -0.075 0.000 1.007 58 M CB 0.605 33.160 32.600 -0.075 0.000 1.823 58 M HN 0.704 nan 8.290 nan 0.000 0.453 59 D N 3.633 123.992 120.400 -0.069 0.000 2.686 59 D HA -0.191 4.450 4.640 0.001 0.000 0.235 59 D C -0.290 175.988 176.300 -0.037 0.000 1.160 59 D CA 2.209 56.187 54.000 -0.037 0.000 0.645 59 D CB -0.602 40.179 40.800 -0.030 0.000 1.039 59 D HN 0.977 nan 8.370 nan 0.000 0.423 60 D N -2.887 117.500 120.400 -0.022 0.000 2.839 60 D HA -0.147 4.494 4.640 0.001 0.000 0.194 60 D C -0.152 176.144 176.300 -0.006 0.000 0.988 60 D CA 1.604 55.600 54.000 -0.008 0.000 1.009 60 D CB -1.178 39.622 40.800 0.000 0.000 1.067 60 D HN 0.391 nan 8.370 nan 0.000 0.444 61 T N 0.647 115.188 114.554 -0.021 0.000 2.738 61 T HA 0.695 5.045 4.350 0.001 0.000 0.298 61 T C 0.022 174.729 174.700 0.012 0.000 0.962 61 T CA 0.233 62.330 62.100 -0.007 0.000 0.972 61 T CB 1.217 70.070 68.868 -0.024 0.000 0.928 61 T HN 0.291 nan 8.240 nan 0.000 0.474 62 A N 3.673 126.512 122.820 0.032 0.000 2.318 62 A HA 0.781 5.102 4.320 0.001 0.000 0.324 62 A C -0.598 177.031 177.584 0.074 0.000 1.170 62 A CA -0.614 51.456 52.037 0.055 0.000 0.810 62 A CB 1.044 20.079 19.000 0.059 0.000 1.198 62 A HN 0.637 nan 8.150 nan 0.000 0.484 63 V N 2.804 122.775 119.914 0.095 0.000 2.483 63 V HA 0.367 4.488 4.120 0.001 0.000 0.297 63 V C -1.057 175.133 176.094 0.161 0.000 1.027 63 V CA -0.396 61.965 62.300 0.103 0.000 0.855 63 V CB 1.430 33.310 31.823 0.095 0.000 0.995 63 V HN 0.806 nan 8.190 nan 0.000 0.424 64 F N 6.253 126.207 119.950 0.006 0.000 2.404 64 F HA 0.654 5.181 4.527 0.001 0.000 0.358 64 F C -0.195 175.609 175.800 0.007 0.000 1.120 64 F CA -0.564 57.443 58.000 0.011 0.000 1.144 64 F CB 1.128 40.136 39.000 0.014 0.000 1.133 64 F HN 0.249 nan 8.300 nan 0.000 0.495 65 V N 5.763 125.394 119.914 -0.473 0.000 2.459 65 V HA 0.503 4.623 4.120 0.001 0.000 0.295 65 V C 0.040 175.777 176.094 -0.596 0.000 1.029 65 V CA -0.519 61.537 62.300 -0.407 0.000 0.874 65 V CB 1.687 33.404 31.823 -0.177 0.000 0.985 65 V HN 0.845 nan 8.190 nan 0.000 0.438 66 T N 3.452 117.745 114.554 -0.435 0.000 2.930 66 T HA 0.811 5.162 4.350 0.001 0.000 0.290 66 T C -1.326 173.268 174.700 -0.177 0.000 1.052 66 T CA -0.341 61.556 62.100 -0.339 0.000 1.017 66 T CB 1.805 70.493 68.868 -0.301 0.000 1.137 66 T HN 0.419 nan 8.240 nan 0.000 0.511 67 V N 2.571 122.413 119.914 -0.120 0.000 2.777 67 V HA 0.611 4.732 4.120 0.001 0.000 0.306 67 V C -1.038 175.043 176.094 -0.022 0.000 1.112 67 V CA -0.729 61.524 62.300 -0.078 0.000 0.917 67 V CB 2.099 33.860 31.823 -0.104 0.000 1.018 67 V HN 0.717 nan 8.190 nan 0.000 0.426 68 V N 2.804 122.719 119.914 0.001 0.000 2.577 68 V HA 0.848 4.969 4.120 0.001 0.000 0.303 68 V C 0.348 176.494 176.094 0.087 0.000 1.042 68 V CA -0.239 62.094 62.300 0.056 0.000 0.872 68 V CB 2.122 33.972 31.823 0.046 0.000 0.998 68 V HN 1.016 nan 8.190 nan 0.000 0.423 69 G N 3.362 112.274 108.800 0.187 0.000 2.605 69 G HA2 0.510 4.471 3.960 0.001 0.000 0.304 69 G HA3 0.510 4.471 3.960 0.001 0.000 0.304 69 G C -0.599 174.571 174.900 0.450 0.000 1.333 69 G CA -0.499 44.764 45.100 0.272 0.000 0.973 69 G HN 0.632 nan 8.290 nan 0.000 0.507 70 Q N 1.510 121.481 119.800 0.285 0.000 2.315 70 Q HA 0.024 4.365 4.340 0.001 0.000 0.289 70 Q C 0.886 177.066 176.000 0.301 0.000 1.044 70 Q CA -0.136 55.799 55.803 0.220 0.000 0.920 70 Q CB 1.374 30.180 28.738 0.114 0.000 1.214 70 Q HN 0.368 nan 8.270 nan 0.000 0.392 71 K N 1.393 121.855 120.400 0.103 0.000 2.155 71 K HA -0.014 4.307 4.320 0.001 0.000 0.203 71 K C -0.012 176.593 176.600 0.008 0.000 1.052 71 K CA 1.259 57.481 56.287 -0.108 0.000 0.948 71 K CB 0.445 32.825 32.500 -0.201 0.000 0.728 71 K HN 0.335 nan 8.250 nan 0.000 0.448 72 K N 0.259 120.693 120.400 0.057 0.000 2.426 72 K HA 0.360 4.680 4.320 0.001 0.000 0.254 72 K C -1.108 175.534 176.600 0.070 0.000 0.936 72 K CA -0.496 55.835 56.287 0.072 0.000 0.801 72 K CB 2.017 34.539 32.500 0.038 0.000 1.139 72 K HN -0.019 nan 8.250 nan 0.000 0.424 73 A N 3.323 126.189 122.820 0.078 0.000 2.371 73 A HA 0.274 4.594 4.320 0.001 0.000 0.257 73 A C 0.226 177.838 177.584 0.046 0.000 1.089 73 A CA -0.231 51.830 52.037 0.039 0.000 0.794 73 A CB 0.236 19.251 19.000 0.025 0.000 1.029 73 A HN 0.640 nan 8.150 nan 0.000 0.488 74 K N 1.660 122.084 120.400 0.040 0.000 2.339 74 K HA 0.102 4.423 4.320 0.001 0.000 0.260 74 K C -2.158 174.468 176.600 0.045 0.000 0.989 74 K CA -0.699 55.613 56.287 0.041 0.000 0.888 74 K CB -0.198 32.328 32.500 0.044 0.000 0.983 74 K HN 0.564 nan 8.250 nan 0.000 0.515 75 P HA -0.079 nan 4.420 nan 0.000 0.265 75 P C 0.690 178.016 177.300 0.043 0.000 1.222 75 P CA 0.762 63.884 63.100 0.037 0.000 0.767 75 P CB 0.677 32.394 31.700 0.028 0.000 0.801 76 G N 3.201 112.030 108.800 0.048 0.000 5.266 76 G HA2 -0.409 3.552 3.960 0.001 0.000 0.262 76 G HA3 -0.409 3.552 3.960 0.001 0.000 0.262 76 G C 0.828 175.770 174.900 0.071 0.000 1.359 76 G CA 0.999 46.132 45.100 0.055 0.000 0.955 76 G HN 0.570 nan 8.290 nan 0.000 0.754 77 Q N -1.366 118.477 119.800 0.073 0.000 2.860 77 Q HA -0.274 4.067 4.340 0.001 0.000 0.195 77 Q C 0.750 176.829 176.000 0.131 0.000 2.836 77 Q CA 3.138 59.001 55.803 0.100 0.000 0.235 77 Q CB -1.756 27.043 28.738 0.102 0.000 0.228 77 Q HN 1.481 nan 8.270 nan 0.000 0.425 78 D N -1.198 119.285 120.400 0.138 0.000 2.947 78 D HA -0.143 4.498 4.640 0.001 0.000 0.224 78 D C -0.427 176.039 176.300 0.277 0.000 1.132 78 D CA 1.474 55.570 54.000 0.160 0.000 0.801 78 D CB -1.644 39.228 40.800 0.120 0.000 1.097 78 D HN 0.314 nan 8.370 nan 0.000 0.431 79 F N 0.291 120.277 119.950 0.060 0.000 2.871 79 F HA 0.233 4.761 4.527 0.001 0.000 0.322 79 F C -1.736 174.124 175.800 0.099 0.000 1.029 79 F CA -1.160 56.881 58.000 0.068 0.000 1.197 79 F CB 0.384 39.402 39.000 0.031 0.000 1.478 79 F HN -0.098 nan 8.300 nan 0.000 0.709 80 F N 8.639 128.188 119.950 -0.668 0.000 2.519 80 F HA 0.416 4.943 4.527 0.001 0.000 0.375 80 F C -2.099 173.104 175.800 -0.996 0.000 1.084 80 F CA -1.700 55.899 58.000 -0.668 0.000 1.147 80 F CB 0.742 39.480 39.000 -0.438 0.000 1.088 80 F HN 0.258 nan 8.300 nan 0.000 0.555 81 P HA 0.100 nan 4.420 nan 0.000 0.241 81 P C -0.902 175.898 177.300 -0.833 0.000 1.780 81 P CA -0.073 62.624 63.100 -0.671 0.000 1.111 81 P CB 0.378 31.954 31.700 -0.205 0.000 1.852 82 L N 3.172 123.707 121.223 -1.146 0.000 2.282 82 L HA 0.647 4.987 4.340 0.001 0.000 0.288 82 L C -0.617 175.958 176.870 -0.493 0.000 1.033 82 L CA 0.049 54.286 54.840 -1.005 0.000 0.807 82 L CB 1.609 42.818 42.059 -1.416 0.000 1.209 82 L HN 0.184 nan 8.230 nan 0.000 0.423 83 T N 4.555 118.915 114.554 -0.323 0.000 3.011 83 T HA 0.556 4.907 4.350 0.001 0.000 0.303 83 T C -1.079 173.546 174.700 -0.125 0.000 0.997 83 T CA -0.399 61.590 62.100 -0.184 0.000 1.007 83 T CB 1.312 70.099 68.868 -0.135 0.000 1.017 83 T HN 0.307 nan 8.240 nan 0.000 0.443 84 V N 5.658 125.520 119.914 -0.088 0.000 2.547 84 V HA 0.608 4.729 4.120 0.001 0.000 0.299 84 V C -0.125 175.960 176.094 -0.016 0.000 1.040 84 V CA -0.962 61.310 62.300 -0.046 0.000 0.913 84 V CB 1.815 33.620 31.823 -0.029 0.000 0.992 84 V HN 0.879 nan 8.190 nan 0.000 0.449 85 N N 2.741 121.444 118.700 0.004 0.000 2.399 85 N HA 0.355 5.096 4.740 0.001 0.000 0.284 85 N C -1.712 173.843 175.510 0.076 0.000 1.025 85 N CA -0.366 52.699 53.050 0.025 0.000 0.885 85 N CB 2.490 40.972 38.487 -0.007 0.000 1.339 85 N HN 0.764 nan 8.380 nan 0.000 0.487 86 Y N 1.923 122.200 120.300 -0.037 0.000 2.328 86 Y HA 0.284 4.834 4.550 0.001 0.000 0.333 86 Y C -0.799 175.083 175.900 -0.031 0.000 0.958 86 Y CA -0.470 57.610 58.100 -0.033 0.000 1.167 86 Y CB 1.016 39.457 38.460 -0.032 0.000 1.151 86 Y HN 0.346 nan 8.280 nan 0.000 0.470 87 Q N 4.669 124.170 119.800 -0.498 0.000 2.353 87 Q HA 0.334 4.675 4.340 0.001 0.000 0.268 87 Q C -1.415 174.237 176.000 -0.581 0.000 1.045 87 Q CA -1.020 54.551 55.803 -0.387 0.000 0.811 87 Q CB 2.842 31.455 28.738 -0.208 0.000 1.305 87 Q HN 0.691 nan 8.270 nan 0.000 0.447 88 E N 2.303 122.272 120.200 -0.386 0.000 2.145 88 E HA 0.229 4.580 4.350 0.001 0.000 0.270 88 E C -0.864 175.577 176.600 -0.267 0.000 0.906 88 E CA -0.729 55.475 56.400 -0.326 0.000 0.761 88 E CB 0.846 30.447 29.700 -0.165 0.000 1.116 88 E HN 0.297 nan 8.360 nan 0.000 0.408 89 R N 2.601 122.879 120.500 -0.370 0.000 2.308 89 R HA 0.119 4.460 4.340 0.001 0.000 0.305 89 R C 0.951 176.970 176.300 -0.468 0.000 1.053 89 R CA 0.052 55.826 56.100 -0.544 0.000 0.957 89 R CB 1.087 30.691 30.300 -1.160 0.000 1.022 89 R HN 0.747 nan 8.270 nan 0.000 0.461 90 T N -0.926 113.456 114.554 -0.287 0.000 2.995 90 T HA -0.152 4.199 4.350 0.001 0.000 0.269 90 T C 1.740 176.394 174.700 -0.077 0.000 1.091 90 T CA 1.074 63.092 62.100 -0.136 0.000 1.128 90 T CB -0.364 68.476 68.868 -0.047 0.000 0.891 90 T HN 0.756 nan 8.240 nan 0.000 0.492 91 Y N 1.020 121.314 120.300 -0.010 0.000 2.439 91 Y HA 0.518 5.068 4.550 0.001 0.000 0.292 91 Y C 2.554 178.449 175.900 -0.009 0.000 1.130 91 Y CA -0.146 57.948 58.100 -0.009 0.000 1.254 91 Y CB -0.732 37.721 38.460 -0.012 0.000 1.000 91 Y HN 0.219 nan 8.280 nan 0.000 0.554 92 A N 1.310 124.057 122.820 -0.123 0.000 2.125 92 A HA 0.110 4.431 4.320 0.001 0.000 0.219 92 A C 2.022 179.622 177.584 0.027 0.000 1.156 92 A CA 1.338 53.365 52.037 -0.017 0.000 0.671 92 A CB -0.867 18.023 19.000 -0.184 0.000 0.794 92 A HN 0.670 nan 8.150 nan 0.000 0.459 93 A N -1.919 120.910 122.820 0.015 0.000 2.535 93 A HA 0.484 4.804 4.320 0.001 0.000 0.273 93 A C 1.419 179.027 177.584 0.039 0.000 1.267 93 A CA 0.793 52.843 52.037 0.021 0.000 0.940 93 A CB -0.815 18.187 19.000 0.003 0.000 1.101 93 A HN 1.774 nan 8.150 nan 0.000 0.521 94 G N 0.120 108.961 108.800 0.069 0.000 2.198 94 G HA2 -0.262 3.699 3.960 0.001 0.000 0.260 94 G HA3 -0.262 3.699 3.960 0.001 0.000 0.260 94 G C 0.156 175.088 174.900 0.053 0.000 1.025 94 G CA 0.616 45.754 45.100 0.064 0.000 0.769 94 G HN 0.669 nan 8.290 nan 0.000 0.507 95 R N -1.157 119.377 120.500 0.057 0.000 2.803 95 R HA 0.718 5.059 4.340 0.001 0.000 0.276 95 R C -0.154 176.177 176.300 0.052 0.000 0.978 95 R CA -1.048 55.077 56.100 0.042 0.000 0.939 95 R CB 1.586 31.901 30.300 0.026 0.000 1.179 95 R HN 0.185 nan 8.270 nan 0.000 0.472 96 I N 3.685 124.279 120.570 0.040 0.000 2.330 96 I HA 0.285 4.455 4.170 0.001 0.000 0.289 96 I C -1.506 174.627 176.117 0.028 0.000 1.001 96 I CA -1.959 59.365 61.300 0.040 0.000 1.193 96 I CB 1.410 39.430 38.000 0.032 0.000 1.345 96 I HN 0.382 nan 8.210 nan 0.000 0.461 97 P HA 0.478 nan 4.420 nan 0.000 0.271 97 P C -0.125 177.185 177.300 0.017 0.000 1.244 97 P CA 0.054 63.164 63.100 0.017 0.000 0.793 97 P CB 1.127 32.836 31.700 0.014 0.000 0.984 107 P HA 0.168 nan 4.420 nan 0.000 0.277 107 P C -0.598 176.708 177.300 0.010 0.000 1.240 107 P CA -0.347 62.757 63.100 0.006 0.000 0.798 107 P CB 0.979 32.686 31.700 0.012 0.000 0.979 108 S N -0.115 115.594 115.700 0.015 0.000 2.568 108 S HA -0.041 4.429 4.470 0.001 0.000 0.282 108 S C 1.267 175.876 174.600 0.016 0.000 1.338 108 S CA 0.099 58.309 58.200 0.016 0.000 1.045 108 S CB 0.904 64.117 63.200 0.021 0.000 0.873 108 S HN 0.698 nan 8.310 nan 0.000 0.516 109 E N 2.799 123.001 120.200 0.004 0.000 2.130 109 E HA -0.157 4.194 4.350 0.001 0.000 0.196 109 E C 1.893 178.487 176.600 -0.009 0.000 0.998 109 E CA 1.435 57.828 56.400 -0.013 0.000 0.806 109 E CB -1.183 28.501 29.700 -0.027 0.000 0.738 109 E HN 0.856 nan 8.360 nan 0.000 0.459 110 G N 0.733 109.536 108.800 0.005 0.000 2.422 110 G HA2 -0.283 3.678 3.960 0.001 0.000 0.218 110 G HA3 -0.283 3.678 3.960 0.001 0.000 0.218 110 G C 1.375 176.292 174.900 0.029 0.000 1.146 110 G CA 0.858 45.962 45.100 0.007 0.000 0.769 110 G HN 0.372 nan 8.290 nan 0.000 0.547 111 E N -0.248 120.005 120.200 0.090 0.000 2.106 111 E HA -0.119 4.232 4.350 0.001 0.000 0.192 111 E C 2.812 179.492 176.600 0.133 0.000 0.984 111 E CA 1.420 57.949 56.400 0.215 0.000 0.806 111 E CB -0.122 29.684 29.700 0.177 0.000 0.750 111 E HN 0.562 nan 8.360 nan 0.000 0.458 112 T N -0.868 113.713 114.554 0.044 0.000 3.055 112 T HA 0.015 4.365 4.350 0.001 0.000 0.265 112 T C 1.890 176.566 174.700 -0.039 0.000 1.111 112 T CA 0.235 62.337 62.100 0.005 0.000 1.118 112 T CB -0.077 68.781 68.868 -0.017 0.000 0.909 112 T HN 0.034 nan 8.240 nan 0.000 0.501 113 L N 0.033 121.222 121.223 -0.056 0.000 2.027 113 L HA 0.156 4.497 4.340 0.001 0.000 0.206 113 L C 2.657 179.454 176.870 -0.122 0.000 1.074 113 L CA 1.267 56.056 54.840 -0.084 0.000 0.745 113 L CB -0.326 41.686 42.059 -0.080 0.000 0.898 113 L HN 0.280 nan 8.230 nan 0.000 0.433 114 I N -0.450 120.003 120.570 -0.194 0.000 2.546 114 I HA -0.212 3.959 4.170 0.001 0.000 0.255 114 I C 2.668 178.629 176.117 -0.261 0.000 1.163 114 I CA 0.787 61.880 61.300 -0.346 0.000 1.457 114 I CB -0.355 37.166 38.000 -0.798 0.000 1.092 114 I HN 0.186 nan 8.210 nan 0.000 0.434 115 A N 0.631 123.375 122.820 -0.127 0.000 1.930 115 A HA -0.168 4.152 4.320 0.001 0.000 0.217 115 A C 2.393 179.946 177.584 -0.051 0.000 1.175 115 A CA 1.219 53.237 52.037 -0.032 0.000 0.627 115 A CB -0.353 18.660 19.000 0.021 0.000 0.815 115 A HN 0.199 nan 8.150 nan 0.000 0.443 116 R N -1.009 119.451 120.500 -0.066 0.000 2.090 116 R HA -0.012 4.329 4.340 0.001 0.000 0.228 116 R C 1.927 178.196 176.300 -0.052 0.000 1.110 116 R CA 1.021 57.087 56.100 -0.057 0.000 0.973 116 R CB -0.971 29.291 30.300 -0.063 0.000 0.869 116 R HN 0.499 nan 8.270 nan 0.000 0.440 117 L N 0.714 121.892 121.223 -0.076 0.000 2.191 117 L HA -0.069 4.271 4.340 0.001 0.000 0.212 117 L C 1.951 178.793 176.870 -0.046 0.000 1.103 117 L CA 1.478 56.276 54.840 -0.068 0.000 0.769 117 L CB -0.144 41.852 42.059 -0.105 0.000 0.908 117 L HN 0.091 nan 8.230 nan 0.000 0.438 118 I N -1.555 118.986 120.570 -0.048 0.000 2.628 118 I HA -0.134 4.036 4.170 0.001 0.000 0.255 118 I C 2.152 178.277 176.117 0.013 0.000 1.119 118 I CA 0.853 62.144 61.300 -0.016 0.000 1.448 118 I CB -0.359 37.632 38.000 -0.016 0.000 1.133 118 I HN 0.245 nan 8.210 nan 0.000 0.438 119 D N 1.691 122.092 120.400 0.001 0.000 2.097 119 D HA -0.206 4.435 4.640 0.001 0.000 0.195 119 D C 2.217 178.544 176.300 0.044 0.000 0.989 119 D CA 1.455 55.465 54.000 0.015 0.000 0.827 119 D CB 0.027 40.813 40.800 -0.023 0.000 0.966 119 D HN 0.188 nan 8.370 nan 0.000 0.456 120 R N 0.329 120.842 120.500 0.022 0.000 2.115 120 R HA -0.149 4.192 4.340 0.001 0.000 0.239 120 R C -0.251 176.079 176.300 0.050 0.000 1.133 120 R CA 2.260 58.378 56.100 0.030 0.000 0.935 120 R CB -1.652 28.653 30.300 0.008 0.000 0.853 120 R HN 0.416 nan 8.270 nan 0.000 0.433 121 P HA -0.108 nan 4.420 nan 0.000 0.220 121 P C 1.546 178.905 177.300 0.097 0.000 1.152 121 P CA 1.374 64.503 63.100 0.048 0.000 0.812 121 P CB -0.205 31.513 31.700 0.030 0.000 0.792 122 I N -2.775 117.896 120.570 0.168 0.000 2.716 122 I HA 0.085 4.255 4.170 0.001 0.000 0.259 122 I C 2.719 179.110 176.117 0.458 0.000 1.172 122 I CA 0.449 61.942 61.300 0.321 0.000 1.478 122 I CB -0.614 37.574 38.000 0.313 0.000 1.104 122 I HN -0.251 nan 8.210 nan 0.000 0.439 123 R N 2.364 123.086 120.500 0.370 0.000 2.105 123 R HA -0.068 4.272 4.340 0.001 0.000 0.239 123 R C -0.420 176.143 176.300 0.437 0.000 1.135 123 R CA 1.910 58.278 56.100 0.446 0.000 0.967 123 R CB -1.181 29.239 30.300 0.201 0.000 0.861 123 R HN 0.373 nan 8.270 nan 0.000 0.442 124 P HA -0.043 nan 4.420 nan 0.000 0.241 124 P C 0.875 178.211 177.300 0.061 0.000 1.191 124 P CA 0.806 63.989 63.100 0.139 0.000 0.771 124 P CB 0.094 31.831 31.700 0.062 0.000 0.929 125 L N -1.693 119.538 121.223 0.014 0.000 2.554 125 L HA 0.125 4.466 4.340 0.001 0.000 0.226 125 L C 0.722 177.388 176.870 -0.341 0.000 1.137 125 L CA 0.043 54.713 54.840 -0.283 0.000 0.863 125 L CB -0.553 41.118 42.059 -0.647 0.000 0.985 125 L HN -0.165 nan 8.230 nan 0.000 0.451 126 F N 2.202 122.118 119.950 -0.056 0.000 2.445 126 F HA 0.225 4.752 4.527 0.001 0.000 0.359 126 F C -1.340 174.290 175.800 -0.283 0.000 1.101 126 F CA -2.651 55.220 58.000 -0.215 0.000 1.177 126 F CB -0.133 38.681 39.000 -0.311 0.000 1.110 126 F HN -0.133 nan 8.300 nan 0.000 0.522 127 P HA -0.164 nan 4.420 nan 0.000 0.268 127 P C -0.371 176.936 177.300 0.011 0.000 1.189 127 P CA -0.053 62.986 63.100 -0.102 0.000 0.771 127 P CB 0.630 32.267 31.700 -0.104 0.000 0.822 128 E N 1.189 121.448 120.200 0.099 0.000 2.415 128 E HA 0.278 4.628 4.350 0.001 0.000 0.260 128 E C 1.316 178.068 176.600 0.253 0.000 1.016 128 E CA 1.296 57.774 56.400 0.129 0.000 0.924 128 E CB -0.881 28.880 29.700 0.102 0.000 0.961 128 E HN 0.754 nan 8.360 nan 0.000 0.459 129 G N 4.091 113.023 108.800 0.219 0.000 2.218 129 G HA2 -0.275 3.685 3.960 0.001 0.000 0.216 129 G HA3 -0.275 3.685 3.960 0.001 0.000 0.216 129 G C -0.027 175.135 174.900 0.437 0.000 0.994 129 G CA -0.178 45.113 45.100 0.319 0.000 0.637 129 G HN 0.513 nan 8.290 nan 0.000 0.505 130 F N 2.167 122.133 119.950 0.027 0.000 2.502 130 F HA 0.522 5.050 4.527 0.001 0.000 0.371 130 F C 1.015 176.614 175.800 -0.335 0.000 1.083 130 F CA 0.171 57.970 58.000 -0.335 0.000 1.174 130 F CB 1.356 39.786 39.000 -0.949 0.000 1.096 130 F HN -0.032 nan 8.300 nan 0.000 0.545 131 V N 4.634 124.265 119.914 -0.471 0.000 3.166 131 V HA 0.128 4.249 4.120 0.001 0.000 0.332 131 V C -0.082 175.815 176.094 -0.328 0.000 1.434 131 V CA -0.502 61.642 62.300 -0.260 0.000 1.121 131 V CB -0.734 31.073 31.823 -0.027 0.000 1.062 131 V HN 0.592 nan 8.190 nan 0.000 0.489 132 N N 1.856 120.058 118.700 -0.829 0.000 2.525 132 N HA 0.200 4.940 4.740 0.001 0.000 0.271 132 N C 0.076 175.438 175.510 -0.247 0.000 1.194 132 N CA 0.017 52.774 53.050 -0.487 0.000 0.964 132 N CB 0.698 38.865 38.487 -0.534 0.000 1.126 132 N HN 0.428 nan 8.380 nan 0.000 0.452 133 E N 0.615 120.763 120.200 -0.087 0.000 2.392 133 E HA 0.238 4.588 4.350 0.001 0.000 0.264 133 E C -1.138 175.440 176.600 -0.036 0.000 1.024 133 E CA -0.142 56.211 56.400 -0.079 0.000 0.903 133 E CB 0.523 30.198 29.700 -0.042 0.000 0.963 133 E HN 0.185 nan 8.360 nan 0.000 0.432 134 V N 4.495 124.334 119.914 -0.126 0.000 2.668 134 V HA 0.210 4.330 4.120 0.001 0.000 0.304 134 V C -0.788 175.217 176.094 -0.149 0.000 1.071 134 V CA -0.722 61.524 62.300 -0.089 0.000 0.894 134 V CB 1.743 33.513 31.823 -0.090 0.000 1.008 134 V HN 0.704 nan 8.190 nan 0.000 0.425 135 Q N 3.400 123.152 119.800 -0.080 0.000 2.330 135 Q HA 0.746 5.087 4.340 0.001 0.000 0.269 135 Q C -1.961 173.999 176.000 -0.067 0.000 1.022 135 Q CA -0.478 55.275 55.803 -0.083 0.000 0.796 135 Q CB 2.397 31.101 28.738 -0.057 0.000 1.271 135 Q HN 0.572 nan 8.270 nan 0.000 0.450 136 V N 6.156 126.027 119.914 -0.073 0.000 2.384 136 V HA 0.473 4.593 4.120 0.001 0.000 0.287 136 V C -0.347 175.712 176.094 -0.058 0.000 1.020 136 V CA -0.492 61.766 62.300 -0.070 0.000 0.850 136 V CB 1.446 33.231 31.823 -0.063 0.000 0.987 136 V HN 0.732 nan 8.190 nan 0.000 0.436 137 I N 4.364 124.891 120.570 -0.072 0.000 2.389 137 I HA 0.733 4.904 4.170 0.001 0.000 0.288 137 I C 0.163 176.232 176.117 -0.081 0.000 0.999 137 I CA -0.554 60.711 61.300 -0.059 0.000 1.129 137 I CB 1.843 39.812 38.000 -0.051 0.000 1.288 137 I HN 0.640 nan 8.210 nan 0.000 0.444 138 A N 4.101 126.897 122.820 -0.041 0.000 2.304 138 A HA 0.732 5.052 4.320 0.001 0.000 0.314 138 A C -0.269 177.241 177.584 -0.124 0.000 1.187 138 A CA -0.528 51.486 52.037 -0.038 0.000 0.810 138 A CB 1.360 20.421 19.000 0.101 0.000 1.183 138 A HN 0.657 nan 8.150 nan 0.000 0.487 139 T N 1.181 115.673 114.554 -0.103 0.000 2.879 139 T HA 0.504 4.855 4.350 0.001 0.000 0.290 139 T C -0.753 173.883 174.700 -0.107 0.000 0.993 139 T CA -0.418 61.590 62.100 -0.154 0.000 0.975 139 T CB 0.755 69.596 68.868 -0.046 0.000 0.981 139 T HN 0.629 nan 8.240 nan 0.000 0.439 140 V N 6.474 126.252 119.914 -0.227 0.000 2.439 140 V HA 0.169 4.289 4.120 0.001 0.000 0.271 140 V C 1.674 177.701 176.094 -0.111 0.000 1.040 140 V CA 0.147 62.367 62.300 -0.135 0.000 1.002 140 V CB 0.671 32.392 31.823 -0.169 0.000 1.000 140 V HN 0.902 nan 8.190 nan 0.000 0.477 141 V N 1.728 121.651 119.914 0.014 0.000 3.644 141 V HA 0.355 4.476 4.120 0.001 0.000 0.267 141 V C 0.610 176.791 176.094 0.144 0.000 1.277 141 V CA 0.642 63.015 62.300 0.123 0.000 1.096 141 V CB 0.064 31.990 31.823 0.171 0.000 0.828 141 V HN 0.851 nan 8.190 nan 0.000 0.446 142 S N -0.791 114.947 115.700 0.063 0.000 2.543 142 S HA 0.780 5.251 4.470 0.001 0.000 0.273 142 S C -1.246 173.370 174.600 0.025 0.000 1.152 142 S CA -0.519 57.717 58.200 0.060 0.000 0.910 142 S CB 1.860 65.098 63.200 0.062 0.000 1.105 142 S HN 0.355 nan 8.310 nan 0.000 0.465 143 V N 2.764 122.689 119.914 0.019 0.000 2.483 143 V HA 0.553 4.673 4.120 0.001 0.000 0.297 143 V C -0.641 175.458 176.094 0.010 0.000 1.027 143 V CA -0.730 61.576 62.300 0.009 0.000 0.855 143 V CB 1.761 33.585 31.823 0.001 0.000 0.995 143 V HN 0.972 nan 8.190 nan 0.000 0.424 144 N N 6.144 124.845 118.700 0.001 0.000 2.462 144 N HA 0.324 5.065 4.740 0.001 0.000 0.242 144 N C -1.851 173.660 175.510 0.001 0.000 1.010 144 N CA -2.025 51.025 53.050 -0.000 0.000 0.939 144 N CB 2.141 40.619 38.487 -0.015 0.000 1.127 144 N HN 0.258 nan 8.380 nan 0.000 0.509 145 P HA -0.159 nan 4.420 nan 0.000 0.222 145 P C 0.672 177.981 177.300 0.015 0.000 1.139 145 P CA 1.150 64.258 63.100 0.014 0.000 0.790 145 P CB 0.485 32.195 31.700 0.016 0.000 0.757 146 Q N -1.460 118.348 119.800 0.014 0.000 2.373 146 Q HA 0.081 4.421 4.340 0.001 0.000 0.210 146 Q C 0.146 176.150 176.000 0.007 0.000 0.913 146 Q CA 0.545 56.361 55.803 0.023 0.000 0.911 146 Q CB 0.357 29.121 28.738 0.043 0.000 1.040 146 Q HN 0.007 nan 8.270 nan 0.000 0.521 147 V N 2.208 122.101 119.914 -0.035 0.000 2.311 147 V HA 0.226 4.347 4.120 0.001 0.000 0.275 147 V C -0.347 175.723 176.094 -0.039 0.000 1.022 147 V CA -0.868 61.378 62.300 -0.089 0.000 0.830 147 V CB 0.706 32.397 31.823 -0.219 0.000 1.012 147 V HN 0.277 nan 8.190 nan 0.000 0.452 148 N N 6.027 124.719 118.700 -0.013 0.000 2.411 148 N HA 0.047 4.788 4.740 0.001 0.000 0.261 148 N C -1.608 173.915 175.510 0.022 0.000 1.248 148 N CA -0.988 52.068 53.050 0.011 0.000 0.885 148 N CB 1.273 39.768 38.487 0.013 0.000 1.062 148 N HN 0.319 nan 8.380 nan 0.000 0.471 149 P HA -0.137 nan 4.420 nan 0.000 0.222 149 P C 0.401 177.765 177.300 0.106 0.000 1.147 149 P CA 0.809 63.971 63.100 0.103 0.000 0.790 149 P CB 0.084 31.890 31.700 0.176 0.000 0.780 150 D N 1.035 121.452 120.400 0.027 0.000 2.103 150 D HA -0.217 4.424 4.640 0.001 0.000 0.190 150 D C 1.829 178.119 176.300 -0.016 0.000 0.997 150 D CA 1.487 55.443 54.000 -0.073 0.000 0.833 150 D CB -1.587 39.127 40.800 -0.143 0.000 0.961 150 D HN 0.159 nan 8.370 nan 0.000 0.447 151 I N -0.113 120.468 120.570 0.018 0.000 2.361 151 I HA -0.143 4.028 4.170 0.001 0.000 0.251 151 I C 2.055 178.218 176.117 0.076 0.000 1.133 151 I CA 0.820 62.153 61.300 0.055 0.000 1.413 151 I CB -1.243 36.814 38.000 0.094 0.000 1.073 151 I HN -0.001 nan 8.210 nan 0.000 0.424 152 V N 2.458 122.416 119.914 0.073 0.000 2.343 152 V HA -0.196 3.925 4.120 0.001 0.000 0.247 152 V C 3.242 179.384 176.094 0.080 0.000 1.051 152 V CA 1.977 64.323 62.300 0.078 0.000 1.036 152 V CB -1.319 30.542 31.823 0.064 0.000 0.654 152 V HN 0.607 nan 8.190 nan 0.000 0.451 153 A N -0.777 122.101 122.820 0.097 0.000 1.968 153 A HA -0.141 4.179 4.320 0.001 0.000 0.217 153 A C 2.225 179.845 177.584 0.060 0.000 1.169 153 A CA 1.750 53.855 52.037 0.112 0.000 0.638 153 A CB -0.404 18.736 19.000 0.233 0.000 0.812 153 A HN 0.493 nan 8.150 nan 0.000 0.446 154 M N -0.610 119.014 119.600 0.040 0.000 2.099 154 M HA -0.066 4.415 4.480 0.001 0.000 0.262 154 M C 2.056 178.375 176.300 0.031 0.000 1.067 154 M CA 1.469 56.785 55.300 0.026 0.000 1.124 154 M CB -0.508 32.105 32.600 0.023 0.000 1.353 154 M HN 0.366 nan 8.290 nan 0.000 0.410 155 I N 0.107 120.705 120.570 0.046 0.000 2.208 155 I HA -0.241 3.929 4.170 0.001 0.000 0.245 155 I C 2.585 178.719 176.117 0.027 0.000 1.097 155 I CA 1.563 62.889 61.300 0.044 0.000 1.363 155 I CB -1.008 37.035 38.000 0.071 0.000 1.051 155 I HN 0.396 nan 8.210 nan 0.000 0.413 156 G N 0.414 109.230 108.800 0.026 0.000 2.418 156 G HA2 -0.239 3.721 3.960 0.001 0.000 0.217 156 G HA3 -0.239 3.721 3.960 0.001 0.000 0.217 156 G C 1.844 176.718 174.900 -0.043 0.000 1.158 156 G CA 0.794 45.892 45.100 -0.003 0.000 0.771 156 G HN 0.504 nan 8.290 nan 0.000 0.545 157 A N 0.319 123.115 122.820 -0.040 0.000 2.019 157 A HA 0.031 4.352 4.320 0.001 0.000 0.219 157 A C 2.591 180.108 177.584 -0.112 0.000 1.164 157 A CA 2.242 54.233 52.037 -0.078 0.000 0.644 157 A CB -0.553 18.419 19.000 -0.047 0.000 0.805 157 A HN 0.418 nan 8.150 nan 0.000 0.449 158 S N -0.752 114.919 115.700 -0.048 0.000 2.377 158 S HA 0.099 4.569 4.470 0.001 0.000 0.223 158 S C 2.184 176.766 174.600 -0.031 0.000 1.030 158 S CA 1.278 59.474 58.200 -0.008 0.000 0.970 158 S CB -0.409 62.819 63.200 0.046 0.000 0.830 158 S HN 0.747 nan 8.310 nan 0.000 0.473 159 A N 1.699 124.500 122.820 -0.033 0.000 1.858 159 A HA 0.208 4.528 4.320 0.001 0.000 0.216 159 A C 2.483 180.028 177.584 -0.064 0.000 1.190 159 A CA 1.884 53.902 52.037 -0.031 0.000 0.617 159 A CB -1.554 17.442 19.000 -0.008 0.000 0.827 159 A HN 0.726 nan 8.150 nan 0.000 0.443 160 A N -0.433 122.332 122.820 -0.092 0.000 1.892 160 A HA -0.133 4.188 4.320 0.001 0.000 0.218 160 A C 2.238 179.722 177.584 -0.167 0.000 1.188 160 A CA 1.694 53.660 52.037 -0.118 0.000 0.631 160 A CB -0.747 18.166 19.000 -0.144 0.000 0.822 160 A HN 0.482 nan 8.150 nan 0.000 0.447 161 L N -0.414 120.647 121.223 -0.271 0.000 2.042 161 L HA -0.196 4.145 4.340 0.001 0.000 0.210 161 L C 2.920 179.590 176.870 -0.332 0.000 1.076 161 L CA 1.608 56.163 54.840 -0.475 0.000 0.749 161 L CB -0.269 41.152 42.059 -1.063 0.000 0.893 161 L HN 0.386 nan 8.230 nan 0.000 0.432 162 S N -0.140 115.473 115.700 -0.146 0.000 2.348 162 S HA -0.152 4.319 4.470 0.001 0.000 0.221 162 S C 1.895 176.469 174.600 -0.044 0.000 1.033 162 S CA 1.198 59.395 58.200 -0.005 0.000 1.010 162 S CB -0.351 62.868 63.200 0.031 0.000 0.891 162 S HN 0.290 nan 8.310 nan 0.000 0.442 163 L N 1.996 123.190 121.223 -0.048 0.000 2.079 163 L HA -0.142 4.198 4.340 0.001 0.000 0.210 163 L C 2.802 179.659 176.870 -0.022 0.000 1.081 163 L CA 1.353 56.177 54.840 -0.026 0.000 0.752 163 L CB -0.919 41.130 42.059 -0.016 0.000 0.896 163 L HN 0.455 nan 8.230 nan 0.000 0.433 164 S N 0.003 115.667 115.700 -0.060 0.000 2.374 164 S HA -0.178 4.292 4.470 0.001 0.000 0.227 164 S C 1.791 176.377 174.600 -0.024 0.000 1.037 164 S CA 1.425 59.599 58.200 -0.043 0.000 1.024 164 S CB -0.558 62.569 63.200 -0.122 0.000 0.861 164 S HN 0.620 nan 8.310 nan 0.000 0.456 165 G N 0.631 109.369 108.800 -0.104 0.000 2.175 165 G HA2 -0.217 3.743 3.960 0.001 0.000 0.244 165 G HA3 -0.217 3.743 3.960 0.001 0.000 0.244 165 G C 0.109 174.768 174.900 -0.402 0.000 0.982 165 G CA 0.076 45.127 45.100 -0.081 0.000 0.641 165 G HN 0.636 nan 8.290 nan 0.000 0.527 166 I N 2.210 122.356 120.570 -0.708 0.000 2.752 166 I HA 0.174 4.345 4.170 0.001 0.000 0.287 166 I C -1.614 174.042 176.117 -0.767 0.000 1.188 166 I CA -1.634 58.930 61.300 -1.226 0.000 1.427 166 I CB 0.633 38.106 38.000 -0.879 0.000 1.365 166 I HN -0.119 nan 8.210 nan 0.000 0.585 167 P HA -0.025 nan 4.420 nan 0.000 0.256 167 P C -0.984 175.945 177.300 -0.619 0.000 1.189 167 P CA 0.589 63.269 63.100 -0.699 0.000 0.808 167 P CB -0.177 30.898 31.700 -1.043 0.000 0.793 168 F N 3.481 123.061 119.950 -0.616 0.000 2.653 168 F HA 0.304 4.831 4.527 0.001 0.000 0.327 168 F C -0.140 175.394 175.800 -0.443 0.000 1.195 168 F CA -0.801 56.788 58.000 -0.684 0.000 0.993 168 F CB 1.221 39.789 39.000 -0.719 0.000 1.259 168 F HN 0.040 nan 8.300 nan 0.000 0.478 169 N N 4.439 122.633 118.700 -0.844 0.000 2.878 169 N HA 0.153 4.894 4.740 0.001 0.000 0.282 169 N C 0.469 175.490 175.510 -0.814 0.000 1.284 169 N CA 0.300 52.962 53.050 -0.647 0.000 1.053 169 N CB 0.540 38.772 38.487 -0.425 0.000 1.382 169 N HN 0.813 nan 8.380 nan 0.000 0.529 170 G N 0.939 109.094 108.800 -1.075 0.000 2.641 170 G HA2 0.404 4.365 3.960 0.001 0.000 0.239 170 G HA3 0.404 4.365 3.960 0.001 0.000 0.239 170 G C -1.987 172.735 174.900 -0.297 0.000 1.402 170 G CA -0.521 44.134 45.100 -0.741 0.000 1.046 170 G HN 0.091 nan 8.290 nan 0.000 0.565 171 P HA 0.441 nan 4.420 nan 0.000 0.307 171 P C -0.449 176.802 177.300 -0.082 0.000 1.306 171 P CA -0.239 62.835 63.100 -0.043 0.000 0.742 171 P CB 0.856 32.551 31.700 -0.008 0.000 1.349 172 I N -5.461 115.106 120.570 -0.004 0.000 3.074 172 I HA 0.826 4.996 4.170 0.001 0.000 0.310 172 I C -0.294 175.819 176.117 -0.007 0.000 1.153 172 I CA -1.133 60.161 61.300 -0.009 0.000 0.993 172 I CB 1.878 39.894 38.000 0.027 0.000 1.237 172 I HN 0.388 nan 8.210 nan 0.000 0.443 173 G N 1.229 110.030 108.800 0.000 0.000 2.932 173 G HA2 0.894 4.855 3.960 0.001 0.000 0.283 173 G HA3 0.894 4.855 3.960 0.001 0.000 0.283 173 G C -1.538 173.384 174.900 0.036 0.000 1.336 173 G CA -0.646 44.449 45.100 -0.008 0.000 1.056 173 G HN 1.176 nan 8.290 nan 0.000 0.522 174 A N -1.673 121.187 122.820 0.067 0.000 2.540 174 A HA 0.909 5.230 4.320 0.001 0.000 0.297 174 A C -0.663 177.027 177.584 0.177 0.000 1.056 174 A CA 0.170 52.265 52.037 0.097 0.000 0.700 174 A CB 1.309 20.356 19.000 0.079 0.000 1.280 174 A HN 2.313 nan 8.150 nan 0.000 0.398 175 A N 1.433 124.340 122.820 0.146 0.000 2.574 175 A HA 0.842 5.163 4.320 0.001 0.000 0.297 175 A C -0.640 177.005 177.584 0.102 0.000 1.062 175 A CA -0.531 51.604 52.037 0.162 0.000 0.686 175 A CB 1.290 20.386 19.000 0.160 0.000 1.285 175 A HN 1.233 nan 8.150 nan 0.000 0.403 176 R N 1.387 121.940 120.500 0.089 0.000 2.460 176 R HA 0.711 5.051 4.340 0.001 0.000 0.303 176 R C -1.693 174.677 176.300 0.118 0.000 0.968 176 R CA -0.318 55.831 56.100 0.083 0.000 0.889 176 R CB 1.453 31.793 30.300 0.065 0.000 1.123 176 R HN 0.507 nan 8.270 nan 0.000 0.455 177 V N 3.616 123.612 119.914 0.137 0.000 2.487 177 V HA 0.595 4.716 4.120 0.001 0.000 0.298 177 V C 0.483 176.688 176.094 0.184 0.000 1.028 177 V CA -0.616 61.807 62.300 0.205 0.000 0.860 177 V CB 1.603 33.563 31.823 0.228 0.000 0.991 177 V HN 0.989 nan 8.190 nan 0.000 0.427 178 G N 2.081 110.998 108.800 0.194 0.000 2.552 178 G HA2 0.601 4.561 3.960 0.001 0.000 0.324 178 G HA3 0.601 4.561 3.960 0.001 0.000 0.324 178 G C -2.005 173.048 174.900 0.255 0.000 1.217 178 G CA -0.514 44.692 45.100 0.177 0.000 0.989 178 G HN 0.519 nan 8.290 nan 0.000 0.490 179 Y N 0.231 120.548 120.300 0.027 0.000 2.333 179 Y HA 0.601 5.151 4.550 0.001 0.000 0.324 179 Y C -0.653 175.213 175.900 -0.057 0.000 1.033 179 Y CA -1.009 57.067 58.100 -0.040 0.000 1.224 179 Y CB 1.026 39.461 38.460 -0.042 0.000 1.120 179 Y HN 0.337 nan 8.280 nan 0.000 0.457 180 I N 4.942 125.320 120.570 -0.319 0.000 2.533 180 I HA 0.277 4.448 4.170 0.001 0.000 0.290 180 I C -0.369 175.536 176.117 -0.353 0.000 1.056 180 I CA -1.068 60.084 61.300 -0.247 0.000 1.057 180 I CB 1.901 39.826 38.000 -0.124 0.000 1.240 180 I HN 0.571 nan 8.210 nan 0.000 0.423 181 N N 4.252 122.786 118.700 -0.277 0.000 2.735 181 N HA -0.205 4.535 4.740 0.001 0.000 0.248 181 N C -0.438 174.847 175.510 -0.375 0.000 1.083 181 N CA 1.330 54.231 53.050 -0.249 0.000 0.703 181 N CB -1.045 37.334 38.487 -0.181 0.000 1.005 181 N HN 0.858 nan 8.380 nan 0.000 0.550 182 D N -1.864 118.169 120.400 -0.611 0.000 2.911 182 D HA -0.225 4.415 4.640 0.001 0.000 0.227 182 D C -0.097 175.648 176.300 -0.924 0.000 1.164 182 D CA 1.140 54.646 54.000 -0.823 0.000 0.782 182 D CB -0.889 39.740 40.800 -0.285 0.000 1.094 182 D HN 0.643 nan 8.370 nan 0.000 0.425 183 Q N -0.995 118.228 119.800 -0.961 0.000 2.413 183 Q HA 0.471 4.812 4.340 0.001 0.000 0.276 183 Q C -0.537 175.090 176.000 -0.621 0.000 1.099 183 Q CA -0.738 54.676 55.803 -0.649 0.000 0.814 183 Q CB 1.763 30.292 28.738 -0.349 0.000 1.379 183 Q HN 0.139 nan 8.270 nan 0.000 0.436 184 Y N 0.183 120.270 120.300 -0.356 0.000 2.336 184 Y HA 0.295 4.845 4.550 0.001 0.000 0.331 184 Y C 0.121 175.776 175.900 -0.408 0.000 1.211 184 Y CA -0.471 57.342 58.100 -0.478 0.000 1.346 184 Y CB 0.860 38.601 38.460 -1.198 0.000 1.271 184 Y HN 0.231 nan 8.280 nan 0.000 0.538 185 V N 4.718 124.640 119.914 0.014 0.000 2.735 185 V HA 0.247 4.367 4.120 0.001 0.000 0.310 185 V C -0.640 175.619 176.094 0.275 0.000 1.061 185 V CA -1.108 61.255 62.300 0.104 0.000 0.913 185 V CB 2.066 33.924 31.823 0.058 0.000 1.005 185 V HN 0.547 nan 8.190 nan 0.000 0.428 186 L N 4.665 126.049 121.223 0.268 0.000 2.275 186 L HA 0.493 4.833 4.340 0.001 0.000 0.288 186 L C 0.264 177.156 176.870 0.037 0.000 1.046 186 L CA -0.004 54.947 54.840 0.184 0.000 0.805 186 L CB 0.908 43.004 42.059 0.060 0.000 1.193 186 L HN 0.919 nan 8.230 nan 0.000 0.426 187 N N 4.198 122.913 118.700 0.025 0.000 2.666 187 N HA -0.145 4.595 4.740 0.001 0.000 0.274 187 N C -2.291 173.263 175.510 0.072 0.000 1.043 187 N CA 0.288 53.354 53.050 0.027 0.000 0.782 187 N CB -0.919 37.549 38.487 -0.033 0.000 0.912 187 N HN 0.468 nan 8.380 nan 0.000 0.556 188 P HA 0.009 nan 4.420 nan 0.000 0.271 188 P C 0.567 177.913 177.300 0.076 0.000 1.216 188 P CA 0.024 63.165 63.100 0.068 0.000 0.771 188 P CB 0.592 32.330 31.700 0.064 0.000 0.864 189 T N -0.146 114.456 114.554 0.081 0.000 2.802 189 T HA 0.008 4.358 4.350 0.001 0.000 0.305 189 T C 1.620 176.351 174.700 0.052 0.000 1.053 189 T CA 0.034 62.181 62.100 0.078 0.000 1.058 189 T CB 0.363 69.281 68.868 0.083 0.000 0.988 189 T HN 0.540 nan 8.240 nan 0.000 0.539 190 Q N 0.905 120.731 119.800 0.043 0.000 2.152 190 Q HA -0.216 4.124 4.340 0.001 0.000 0.206 190 Q C 1.325 177.345 176.000 0.033 0.000 0.985 190 Q CA 2.348 58.172 55.803 0.035 0.000 0.863 190 Q CB -0.478 28.278 28.738 0.030 0.000 0.904 190 Q HN 0.881 nan 8.270 nan 0.000 0.422 191 D N -0.209 120.210 120.400 0.032 0.000 2.333 191 D HA -0.069 4.571 4.640 0.001 0.000 0.208 191 D C 1.248 177.562 176.300 0.024 0.000 0.984 191 D CA 0.634 54.650 54.000 0.026 0.000 0.873 191 D CB -0.190 40.623 40.800 0.023 0.000 0.935 191 D HN 0.537 nan 8.370 nan 0.000 0.521 192 E N 0.268 120.484 120.200 0.027 0.000 2.152 192 E HA 0.006 4.357 4.350 0.001 0.000 0.192 192 E C 2.037 178.652 176.600 0.025 0.000 0.983 192 E CA 0.279 56.691 56.400 0.021 0.000 0.818 192 E CB -0.029 29.685 29.700 0.024 0.000 0.758 192 E HN 0.302 nan 8.360 nan 0.000 0.467 193 L N 0.902 122.146 121.223 0.034 0.000 2.265 193 L HA -0.176 4.164 4.340 0.001 0.000 0.215 193 L C 2.100 178.991 176.870 0.035 0.000 1.117 193 L CA 0.988 55.852 54.840 0.039 0.000 0.782 193 L CB -0.188 41.897 42.059 0.043 0.000 0.914 193 L HN 0.051 nan 8.230 nan 0.000 0.441 194 K N -0.159 120.258 120.400 0.029 0.000 2.209 194 K HA -0.109 4.211 4.320 0.001 0.000 0.204 194 K C 0.841 177.454 176.600 0.022 0.000 1.048 194 K CA 0.772 57.075 56.287 0.027 0.000 0.940 194 K CB 0.108 32.622 32.500 0.023 0.000 0.729 194 K HN 0.196 nan 8.250 nan 0.000 0.451 195 E N 0.629 120.839 120.200 0.017 0.000 2.585 195 E HA 0.088 4.439 4.350 0.001 0.000 0.206 195 E C -0.602 176.004 176.600 0.010 0.000 1.007 195 E CA 0.013 56.418 56.400 0.008 0.000 1.028 195 E CB 0.919 30.616 29.700 -0.005 0.000 1.087 195 E HN -0.029 nan 8.360 nan 0.000 0.455 196 S N 0.350 116.068 115.700 0.030 0.000 2.578 196 S HA 0.372 4.843 4.470 0.001 0.000 0.301 196 S C 0.601 175.246 174.600 0.074 0.000 1.091 196 S CA -0.591 57.641 58.200 0.053 0.000 1.032 196 S CB 1.157 64.397 63.200 0.066 0.000 1.064 196 S HN -0.039 nan 8.310 nan 0.000 0.508 197 K N 2.438 122.911 120.400 0.122 0.000 2.358 197 K HA 0.355 4.675 4.320 0.001 0.000 0.200 197 K C -0.506 176.156 176.600 0.103 0.000 1.030 197 K CA -0.086 56.271 56.287 0.116 0.000 1.097 197 K CB 0.451 33.045 32.500 0.157 0.000 0.862 197 K HN 0.460 nan 8.250 nan 0.000 0.534 198 L N 1.093 122.390 121.223 0.123 0.000 2.482 198 L HA 0.380 4.721 4.340 0.001 0.000 0.263 198 L C -2.186 174.741 176.870 0.095 0.000 0.957 198 L CA -0.376 54.520 54.840 0.094 0.000 0.836 198 L CB 2.438 44.558 42.059 0.100 0.000 1.324 198 L HN -0.083 nan 8.230 nan 0.000 0.406 199 D N 5.265 125.705 120.400 0.067 0.000 2.389 199 D HA 0.431 5.072 4.640 0.001 0.000 0.256 199 D C -1.615 174.714 176.300 0.048 0.000 1.239 199 D CA -0.009 54.027 54.000 0.060 0.000 0.925 199 D CB 1.282 42.110 40.800 0.046 0.000 1.145 199 D HN 0.568 nan 8.370 nan 0.000 0.542 200 L N 2.800 124.058 121.223 0.059 0.000 2.388 200 L HA 0.749 5.090 4.340 0.001 0.000 0.264 200 L C -1.671 175.228 176.870 0.047 0.000 0.998 200 L CA -0.665 54.202 54.840 0.045 0.000 0.817 200 L CB 2.145 44.232 42.059 0.046 0.000 1.338 200 L HN 0.061 nan 8.230 nan 0.000 0.414 201 V N 4.620 124.552 119.914 0.029 0.000 2.531 201 V HA 0.579 4.700 4.120 0.001 0.000 0.301 201 V C -0.503 175.603 176.094 0.019 0.000 1.034 201 V CA -0.533 61.785 62.300 0.029 0.000 0.865 201 V CB 1.967 33.799 31.823 0.014 0.000 0.995 201 V HN 0.599 nan 8.190 nan 0.000 0.424 202 V N 1.693 121.624 119.914 0.028 0.000 2.769 202 V HA 1.062 5.183 4.120 0.001 0.000 0.312 202 V C -0.175 175.932 176.094 0.021 0.000 1.061 202 V CA -0.896 61.410 62.300 0.009 0.000 0.931 202 V CB 1.702 33.530 31.823 0.008 0.000 1.010 202 V HN 1.159 nan 8.190 nan 0.000 0.433 203 A N 2.054 124.870 122.820 -0.005 0.000 2.427 203 A HA 1.043 5.364 4.320 0.001 0.000 0.298 203 A C -0.112 177.453 177.584 -0.032 0.000 1.036 203 A CA 0.076 52.118 52.037 0.008 0.000 0.701 203 A CB 1.600 20.606 19.000 0.010 0.000 1.250 203 A HN 2.063 nan 8.150 nan 0.000 0.412 204 G N -0.115 108.689 108.800 0.005 0.000 2.649 204 G HA2 0.708 4.669 3.960 0.001 0.000 0.290 204 G HA3 0.708 4.669 3.960 0.001 0.000 0.290 204 G C -0.038 174.888 174.900 0.044 0.000 1.426 204 G CA 0.338 45.414 45.100 -0.039 0.000 0.794 204 G HN 1.293 nan 8.290 nan 0.000 0.483 205 T N -2.407 112.164 114.554 0.028 0.000 3.204 205 T HA 0.354 4.705 4.350 0.001 0.000 0.312 205 T C 1.325 176.061 174.700 0.061 0.000 1.254 205 T CA 0.875 62.969 62.100 -0.010 0.000 0.913 205 T CB 0.661 69.475 68.868 -0.089 0.000 2.143 205 T HN 0.575 nan 8.240 nan 0.000 0.569 206 E N 0.256 120.444 120.200 -0.020 0.000 2.102 206 E HA 0.185 4.536 4.350 0.001 0.000 0.190 206 E C 1.865 178.457 176.600 -0.012 0.000 0.971 206 E CA 0.552 56.919 56.400 -0.055 0.000 0.821 206 E CB -0.358 29.290 29.700 -0.087 0.000 0.777 206 E HN 0.680 nan 8.360 nan 0.000 0.460 207 A N 0.115 122.943 122.820 0.013 0.000 2.430 207 A HA 0.653 4.973 4.320 0.001 0.000 0.243 207 A C 0.198 177.817 177.584 0.059 0.000 1.254 207 A CA 0.345 52.399 52.037 0.029 0.000 0.914 207 A CB 0.432 19.417 19.000 -0.024 0.000 0.998 207 A HN 0.245 nan 8.150 nan 0.000 0.515 208 A N -1.251 121.616 122.820 0.080 0.000 2.594 208 A HA 0.558 4.879 4.320 0.001 0.000 0.296 208 A C -1.193 176.182 177.584 -0.350 0.000 1.061 208 A CA -0.346 51.629 52.037 -0.103 0.000 0.689 208 A CB 0.639 19.577 19.000 -0.103 0.000 1.280 208 A HN 0.387 nan 8.150 nan 0.000 0.406 209 V N 2.941 122.552 119.914 -0.504 0.000 2.432 209 V HA 0.269 4.389 4.120 0.001 0.000 0.275 209 V C 0.809 176.755 176.094 -0.246 0.000 1.043 209 V CA 0.130 62.128 62.300 -0.503 0.000 0.925 209 V CB 1.019 32.568 31.823 -0.455 0.000 0.985 209 V HN 0.828 nan 8.190 nan 0.000 0.466 210 L N 4.497 125.618 121.223 -0.170 0.000 2.362 210 L HA 0.342 4.682 4.340 0.001 0.000 0.204 210 L C 0.441 177.270 176.870 -0.068 0.000 1.060 210 L CA 0.533 55.313 54.840 -0.100 0.000 0.827 210 L CB 0.192 42.210 42.059 -0.069 0.000 1.027 210 L HN 0.733 nan 8.230 nan 0.000 0.474 211 M N -0.985 118.578 119.600 -0.063 0.000 2.421 211 M HA 0.667 5.148 4.480 0.001 0.000 0.287 211 M C -1.690 174.587 176.300 -0.037 0.000 1.183 211 M CA -0.540 54.738 55.300 -0.037 0.000 0.916 211 M CB 2.131 34.722 32.600 -0.015 0.000 1.701 211 M HN -0.283 nan 8.290 nan 0.000 0.470 212 V N 1.900 121.799 119.914 -0.025 0.000 2.709 212 V HA 0.851 4.971 4.120 0.001 0.000 0.308 212 V C -1.311 174.780 176.094 -0.005 0.000 1.062 212 V CA -0.279 62.009 62.300 -0.019 0.000 0.901 212 V CB 1.917 33.724 31.823 -0.028 0.000 1.003 212 V HN 0.955 nan 8.190 nan 0.000 0.425 213 E N 2.985 123.182 120.200 -0.005 0.000 2.260 213 E HA 0.766 5.117 4.350 0.001 0.000 0.266 213 E C -0.868 175.731 176.600 -0.002 0.000 0.887 213 E CA -0.211 56.185 56.400 -0.007 0.000 0.777 213 E CB 2.122 31.812 29.700 -0.017 0.000 1.205 213 E HN 0.875 nan 8.360 nan 0.000 0.414 214 S N 2.677 118.376 115.700 -0.001 0.000 2.625 214 S HA 0.714 5.185 4.470 0.001 0.000 0.271 214 S C -1.086 173.515 174.600 0.002 0.000 1.161 214 S CA -1.084 57.119 58.200 0.006 0.000 0.820 214 S CB 1.614 64.821 63.200 0.012 0.000 1.137 214 S HN 0.485 nan 8.310 nan 0.000 0.470 215 E N -0.048 120.157 120.200 0.009 0.000 2.290 215 E HA 0.662 5.013 4.350 0.001 0.000 0.274 215 E C -1.456 175.154 176.600 0.016 0.000 0.889 215 E CA -1.022 55.384 56.400 0.010 0.000 0.760 215 E CB 1.827 31.535 29.700 0.014 0.000 1.206 215 E HN 1.087 nan 8.360 nan 0.000 0.419 216 A N 3.716 126.542 122.820 0.011 0.000 2.539 216 A HA 0.373 4.694 4.320 0.001 0.000 0.296 216 A C -0.834 176.754 177.584 0.008 0.000 1.073 216 A CA -0.676 51.366 52.037 0.008 0.000 0.700 216 A CB 1.947 20.940 19.000 -0.012 0.000 1.296 216 A HN 0.681 nan 8.150 nan 0.000 0.405 217 Q N 1.274 121.081 119.800 0.012 0.000 3.247 217 Q HA 0.453 4.794 4.340 0.001 0.000 0.326 217 Q C -0.787 175.214 176.000 0.001 0.000 1.402 217 Q CA -0.107 55.703 55.803 0.013 0.000 0.994 217 Q CB -0.559 28.195 28.738 0.027 0.000 1.647 217 Q HN 0.636 nan 8.270 nan 0.000 0.523 218 L N 0.542 121.760 121.223 -0.008 0.000 3.533 218 L HA -0.274 4.067 4.340 0.001 0.000 0.477 218 L C -0.436 176.419 176.870 -0.025 0.000 1.306 218 L CA 0.093 54.925 54.840 -0.013 0.000 0.850 218 L CB -1.709 40.345 42.059 -0.009 0.000 1.654 218 L HN 0.504 nan 8.230 nan 0.000 0.863 219 L N -0.844 120.351 121.223 -0.046 0.000 2.488 219 L HA 0.544 4.885 4.340 0.001 0.000 0.249 219 L C 1.159 177.993 176.870 -0.060 0.000 1.151 219 L CA -0.075 54.715 54.840 -0.083 0.000 0.806 219 L CB 1.286 43.248 42.059 -0.162 0.000 1.261 219 L HN 0.431 nan 8.230 nan 0.000 0.484 220 S N -1.115 114.544 115.700 -0.069 0.000 2.646 220 S HA 0.170 4.641 4.470 0.001 0.000 0.276 220 S C 0.746 175.328 174.600 -0.030 0.000 1.222 220 S CA -0.807 57.371 58.200 -0.037 0.000 1.014 220 S CB 1.440 64.623 63.200 -0.029 0.000 0.991 220 S HN 0.592 nan 8.310 nan 0.000 0.533 221 E N 1.711 121.907 120.200 -0.007 0.000 2.097 221 E HA -0.236 4.115 4.350 0.001 0.000 0.196 221 E C 0.958 177.555 176.600 -0.005 0.000 1.000 221 E CA 1.599 57.999 56.400 0.001 0.000 0.804 221 E CB -0.816 28.893 29.700 0.015 0.000 0.740 221 E HN 0.774 nan 8.360 nan 0.000 0.454 222 D N 0.977 121.376 120.400 -0.002 0.000 2.144 222 D HA -0.116 4.524 4.640 0.001 0.000 0.199 222 D C 2.121 178.433 176.300 0.020 0.000 0.984 222 D CA 1.109 55.114 54.000 0.009 0.000 0.834 222 D CB -0.079 40.729 40.800 0.012 0.000 0.955 222 D HN 0.276 nan 8.370 nan 0.000 0.465 223 Q N -0.889 118.899 119.800 -0.020 0.000 2.123 223 Q HA -0.066 4.274 4.340 0.001 0.000 0.199 223 Q C 2.006 178.012 176.000 0.011 0.000 0.966 223 Q CA 0.733 56.506 55.803 -0.050 0.000 0.845 223 Q CB 0.023 28.607 28.738 -0.257 0.000 0.907 223 Q HN 0.282 nan 8.270 nan 0.000 0.439 224 M N 0.327 119.910 119.600 -0.027 0.000 2.086 224 M HA -0.143 4.337 4.480 0.001 0.000 0.261 224 M C 2.207 178.503 176.300 -0.006 0.000 1.067 224 M CA 1.380 56.671 55.300 -0.015 0.000 1.116 224 M CB -0.917 31.672 32.600 -0.019 0.000 1.348 224 M HN 0.265 nan 8.290 nan 0.000 0.407 225 L N -0.279 120.941 121.223 -0.005 0.000 2.079 225 L HA -0.163 4.177 4.340 0.001 0.000 0.210 225 L C 2.474 179.335 176.870 -0.015 0.000 1.081 225 L CA 1.335 56.164 54.840 -0.019 0.000 0.752 225 L CB -0.915 41.135 42.059 -0.015 0.000 0.896 225 L HN 0.406 nan 8.230 nan 0.000 0.433 226 G N -1.260 107.564 108.800 0.040 0.000 2.443 226 G HA2 -0.185 3.775 3.960 0.001 0.000 0.219 226 G HA3 -0.185 3.775 3.960 0.001 0.000 0.219 226 G C 1.667 176.291 174.900 -0.460 0.000 1.131 226 G CA 0.690 45.799 45.100 0.015 0.000 0.775 226 G HN 0.493 nan 8.290 nan 0.000 0.547 227 A N 0.140 122.722 122.820 -0.396 0.000 1.897 227 A HA 0.194 4.515 4.320 0.001 0.000 0.215 227 A C 2.568 180.065 177.584 -0.145 0.000 1.181 227 A CA 1.484 53.245 52.037 -0.460 0.000 0.620 227 A CB -0.481 18.485 19.000 -0.056 0.000 0.821 227 A HN 0.196 nan 8.150 nan 0.000 0.443 228 V N -0.315 119.550 119.914 -0.082 0.000 2.237 228 V HA -0.240 3.881 4.120 0.001 0.000 0.245 228 V C 2.583 178.670 176.094 -0.011 0.000 1.046 228 V CA 2.134 64.410 62.300 -0.040 0.000 1.007 228 V CB -0.881 30.907 31.823 -0.059 0.000 0.638 228 V HN 0.351 nan 8.190 nan 0.000 0.445 229 V N -0.428 119.477 119.914 -0.015 0.000 2.295 229 V HA -0.289 3.831 4.120 0.001 0.000 0.246 229 V C 2.151 178.271 176.094 0.044 0.000 1.049 229 V CA 2.554 64.875 62.300 0.034 0.000 1.024 229 V CB -0.769 31.069 31.823 0.025 0.000 0.648 229 V HN 0.594 nan 8.190 nan 0.000 0.447 230 F N 1.812 121.653 119.950 -0.182 0.000 2.069 230 F HA -0.126 4.401 4.527 0.001 0.000 0.298 230 F C 2.234 177.980 175.800 -0.090 0.000 1.113 230 F CA 2.086 59.975 58.000 -0.185 0.000 1.214 230 F CB -0.873 37.863 39.000 -0.440 0.000 0.978 230 F HN 0.147 nan 8.300 nan 0.000 0.474 231 G N -0.900 107.881 108.800 -0.031 0.000 2.446 231 G HA2 -0.351 3.609 3.960 0.001 0.000 0.217 231 G HA3 -0.351 3.609 3.960 0.001 0.000 0.217 231 G C 1.723 176.597 174.900 -0.042 0.000 1.168 231 G CA 1.128 46.184 45.100 -0.073 0.000 0.771 231 G HN 0.636 nan 8.290 nan 0.000 0.551 232 H N 0.703 119.713 119.070 -0.100 0.000 2.422 232 H HA -0.060 4.497 4.556 0.001 0.000 0.298 232 H C 2.432 177.696 175.328 -0.108 0.000 1.098 232 H CA 1.578 57.574 56.048 -0.087 0.000 1.315 232 H CB 0.224 29.941 29.762 -0.075 0.000 1.382 232 H HN 0.512 nan 8.280 nan 0.000 0.523 233 E N 0.009 120.087 120.200 -0.202 0.000 2.051 233 E HA -0.126 4.225 4.350 0.001 0.000 0.189 233 E C 2.447 178.903 176.600 -0.241 0.000 0.979 233 E CA 0.303 56.543 56.400 -0.267 0.000 0.803 233 E CB 0.103 29.687 29.700 -0.194 0.000 0.761 233 E HN 0.434 nan 8.360 nan 0.000 0.451 234 Q N 0.766 120.378 119.800 -0.313 0.000 2.181 234 Q HA -0.203 4.138 4.340 0.001 0.000 0.205 234 Q C 2.074 178.092 176.000 0.030 0.000 0.980 234 Q CA 1.467 57.129 55.803 -0.236 0.000 0.862 234 Q CB -0.181 28.255 28.738 -0.503 0.000 0.905 234 Q HN 0.530 nan 8.270 nan 0.000 0.429 235 Q N -0.752 119.054 119.800 0.011 0.000 2.444 235 Q HA -0.023 4.318 4.340 0.001 0.000 0.206 235 Q C 1.336 177.266 176.000 -0.116 0.000 0.948 235 Q CA 0.158 55.985 55.803 0.041 0.000 0.946 235 Q CB 0.170 28.955 28.738 0.079 0.000 1.027 235 Q HN 0.114 nan 8.270 nan 0.000 0.513 236 Q N 0.733 120.444 119.800 -0.148 0.000 2.226 236 Q HA -0.090 4.250 4.340 0.001 0.000 0.204 236 Q C 2.218 178.100 176.000 -0.196 0.000 0.975 236 Q CA 1.363 57.054 55.803 -0.187 0.000 0.866 236 Q CB -0.210 28.406 28.738 -0.204 0.000 0.915 236 Q HN 0.393 nan 8.270 nan 0.000 0.440 237 V N 0.105 119.913 119.914 -0.175 0.000 2.392 237 V HA -0.219 3.901 4.120 0.001 0.000 0.249 237 V C 2.448 178.275 176.094 -0.445 0.000 1.059 237 V CA 1.420 63.590 62.300 -0.217 0.000 1.051 237 V CB -0.831 30.960 31.823 -0.054 0.000 0.658 237 V HN 0.089 nan 8.190 nan 0.000 0.455 238 V N 0.031 119.673 119.914 -0.453 0.000 2.270 238 V HA -0.225 3.895 4.120 0.001 0.000 0.245 238 V C 2.222 178.089 176.094 -0.379 0.000 1.043 238 V CA 2.195 64.194 62.300 -0.503 0.000 1.014 238 V CB -0.496 31.099 31.823 -0.381 0.000 0.645 238 V HN 0.437 nan 8.190 nan 0.000 0.447 239 I N -0.349 120.066 120.570 -0.258 0.000 2.454 239 I HA -0.310 3.861 4.170 0.001 0.000 0.254 239 I C 2.612 178.602 176.117 -0.212 0.000 1.156 239 I CA 1.454 62.638 61.300 -0.192 0.000 1.433 239 I CB -0.392 37.520 38.000 -0.147 0.000 1.082 239 I HN 0.406 nan 8.210 nan 0.000 0.432 240 Q N 0.531 120.177 119.800 -0.257 0.000 2.016 240 Q HA -0.155 4.186 4.340 0.001 0.000 0.200 240 Q C 2.122 177.963 176.000 -0.265 0.000 0.978 240 Q CA 1.396 57.059 55.803 -0.233 0.000 0.833 240 Q CB -0.092 28.513 28.738 -0.222 0.000 0.895 240 Q HN 0.519 nan 8.270 nan 0.000 0.427 241 N N 0.533 118.977 118.700 -0.426 0.000 2.120 241 N HA -0.138 4.603 4.740 0.001 0.000 0.188 241 N C 1.910 177.270 175.510 -0.250 0.000 1.024 241 N CA 1.102 53.896 53.050 -0.427 0.000 0.852 241 N CB -0.120 37.824 38.487 -0.905 0.000 1.003 241 N HN 0.243 nan 8.380 nan 0.000 0.424 242 I N 1.770 122.199 120.570 -0.235 0.000 2.194 242 I HA -0.281 3.890 4.170 0.001 0.000 0.246 242 I C 1.962 178.021 176.117 -0.096 0.000 1.093 242 I CA 0.946 62.173 61.300 -0.122 0.000 1.355 242 I CB -0.306 37.635 38.000 -0.097 0.000 1.046 242 I HN 0.139 nan 8.210 nan 0.000 0.413 243 N N 0.543 119.174 118.700 -0.115 0.000 2.120 243 N HA -0.178 4.563 4.740 0.001 0.000 0.188 243 N C 1.753 177.220 175.510 -0.073 0.000 1.024 243 N CA 1.230 54.227 53.050 -0.089 0.000 0.852 243 N CB -0.198 38.229 38.487 -0.099 0.000 1.003 243 N HN 0.351 nan 8.380 nan 0.000 0.424 244 E N 0.976 121.126 120.200 -0.084 0.000 2.072 244 E HA -0.121 4.229 4.350 0.001 0.000 0.191 244 E C 2.092 178.669 176.600 -0.039 0.000 0.985 244 E CA 0.306 56.670 56.400 -0.060 0.000 0.801 244 E CB -0.552 29.109 29.700 -0.066 0.000 0.750 244 E HN 0.241 nan 8.360 nan 0.000 0.452 245 L N 0.748 121.948 121.223 -0.039 0.000 2.083 245 L HA -0.139 4.201 4.340 0.001 0.000 0.209 245 L C 2.184 179.047 176.870 -0.012 0.000 1.083 245 L CA 1.144 55.975 54.840 -0.015 0.000 0.752 245 L CB -0.212 41.844 42.059 -0.006 0.000 0.899 245 L HN -0.095 nan 8.230 nan 0.000 0.433 246 V N -0.678 119.223 119.914 -0.022 0.000 2.626 246 V HA -0.237 3.883 4.120 0.001 0.000 0.252 246 V C 2.470 178.557 176.094 -0.011 0.000 1.067 246 V CA 1.684 63.975 62.300 -0.016 0.000 1.081 246 V CB -0.734 31.075 31.823 -0.024 0.000 0.686 246 V HN 0.454 nan 8.190 nan 0.000 0.468 247 K N 0.002 120.393 120.400 -0.017 0.000 2.062 247 K HA -0.172 4.148 4.320 0.001 0.000 0.205 247 K C 2.228 178.826 176.600 -0.004 0.000 1.051 247 K CA 1.567 57.846 56.287 -0.013 0.000 0.941 247 K CB -0.028 32.461 32.500 -0.019 0.000 0.719 247 K HN 0.536 nan 8.250 nan 0.000 0.440 248 E N -0.154 120.045 120.200 -0.002 0.000 2.086 248 E HA -0.039 4.312 4.350 0.001 0.000 0.190 248 E C 1.376 177.983 176.600 0.011 0.000 0.975 248 E CA 0.781 57.183 56.400 0.004 0.000 0.813 248 E CB 0.241 29.944 29.700 0.006 0.000 0.768 248 E HN 0.266 nan 8.360 nan 0.000 0.457 249 A N 0.458 123.285 122.820 0.012 0.000 2.287 249 A HA 0.354 4.675 4.320 0.001 0.000 0.214 249 A C 1.125 178.721 177.584 0.020 0.000 1.228 249 A CA 0.346 52.394 52.037 0.019 0.000 0.939 249 A CB 0.243 19.257 19.000 0.023 0.000 0.992 249 A HN 0.257 nan 8.150 nan 0.000 0.502 250 G N 0.751 109.559 108.800 0.014 0.000 2.568 250 G HA2 0.288 4.249 3.960 0.001 0.000 0.231 250 G HA3 0.288 4.249 3.960 0.001 0.000 0.231 250 G C -0.008 174.910 174.900 0.030 0.000 1.261 250 G CA -0.034 45.075 45.100 0.016 0.000 0.855 250 G HN 0.460 nan 8.290 nan 0.000 0.576 251 K N 1.595 122.021 120.400 0.043 0.000 2.090 251 K HA 0.330 4.651 4.320 0.001 0.000 0.249 251 K C -2.109 174.539 176.600 0.079 0.000 0.995 251 K CA -1.427 54.901 56.287 0.068 0.000 0.914 251 K CB 1.181 33.740 32.500 0.099 0.000 1.057 251 K HN 0.343 nan 8.250 nan 0.000 0.462 252 P HA 0.053 nan 4.420 nan 0.000 0.271 252 P C -0.796 176.600 177.300 0.160 0.000 1.216 252 P CA -0.170 62.990 63.100 0.100 0.000 0.771 252 P CB 0.527 32.278 31.700 0.084 0.000 0.864 253 R N 2.367 122.944 120.500 0.130 0.000 2.585 253 R HA 0.008 4.349 4.340 0.001 0.000 0.275 253 R C 0.433 176.910 176.300 0.295 0.000 1.018 253 R CA 0.178 56.371 56.100 0.155 0.000 1.072 253 R CB -0.344 30.009 30.300 0.088 0.000 0.953 253 R HN 0.521 nan 8.270 nan 0.000 0.419 254 W N 1.364 122.692 121.300 0.047 0.000 2.160 254 W HA -0.077 4.583 4.660 0.001 0.000 0.352 254 W C 1.115 177.710 176.519 0.127 0.000 1.288 254 W CA 0.097 57.499 57.345 0.095 0.000 1.279 254 W CB 0.099 29.633 29.460 0.123 0.000 1.181 254 W HN 0.457 nan 8.180 nan 0.000 0.593 255 D N 1.633 122.226 120.400 0.322 0.000 3.163 255 D HA -0.009 4.632 4.640 0.001 0.000 0.284 255 D C 1.058 177.515 176.300 0.262 0.000 1.368 255 D CA -0.552 53.578 54.000 0.217 0.000 0.895 255 D CB -0.630 40.233 40.800 0.104 0.000 1.061 255 D HN 0.377 nan 8.370 nan 0.000 0.496 256 W N 2.237 123.669 121.300 0.219 0.000 2.322 256 W HA -0.128 4.533 4.660 0.001 0.000 0.326 256 W C 0.092 176.713 176.519 0.170 0.000 1.224 256 W CA 1.508 59.009 57.345 0.260 0.000 1.257 256 W CB -0.191 29.486 29.460 0.361 0.000 1.174 256 W HN 0.199 nan 8.180 nan 0.000 0.460 257 Q N -1.468 118.014 119.800 -0.530 0.000 2.913 257 Q HA -0.168 4.173 4.340 0.001 0.000 0.133 257 Q C -1.766 173.234 176.000 -1.666 0.000 1.532 257 Q CA 0.809 56.105 55.803 -0.844 0.000 0.409 257 Q CB -1.281 27.220 28.738 -0.395 0.000 0.617 257 Q HN 0.148 nan 8.270 nan 0.000 0.320 258 P HA -0.225 nan 4.420 nan 0.000 0.219 258 P C -0.769 176.296 177.300 -0.391 0.000 1.153 258 P CA 2.192 64.719 63.100 -0.955 0.000 0.865 258 P CB 0.028 31.522 31.700 -0.343 0.000 0.788 259 E N -3.170 116.831 120.200 -0.332 0.000 7.438 259 E HA -0.087 4.264 4.350 0.001 0.000 0.230 259 E C -2.428 174.131 176.600 -0.068 0.000 0.890 259 E CA -0.269 56.045 56.400 -0.142 0.000 1.606 259 E CB -2.740 26.933 29.700 -0.045 0.000 0.905 259 E HN 0.043 nan 8.360 nan 0.000 0.266 260 P HA -0.019 nan 4.420 nan 0.000 0.269 260 P C -0.786 176.509 177.300 -0.009 0.000 1.153 260 P CA 0.155 63.234 63.100 -0.034 0.000 0.754 260 P CB 0.460 32.142 31.700 -0.029 0.000 0.758 261 V N 3.827 123.738 119.914 -0.005 0.000 2.407 261 V HA 0.151 4.271 4.120 0.001 0.000 0.291 261 V C 0.577 176.675 176.094 0.005 0.000 1.018 261 V CA -0.631 61.673 62.300 0.008 0.000 0.842 261 V CB 1.418 33.248 31.823 0.012 0.000 0.996 261 V HN 0.557 nan 8.190 nan 0.000 0.426 262 N N 4.085 122.790 118.700 0.009 0.000 2.874 262 N HA -0.038 4.702 4.740 0.001 0.000 0.316 262 N C 1.240 176.755 175.510 0.008 0.000 1.205 262 N CA 0.042 53.096 53.050 0.008 0.000 1.180 262 N CB 0.326 38.819 38.487 0.011 0.000 1.450 262 N HN 0.839 nan 8.380 nan 0.000 0.528 263 E N -0.323 119.881 120.200 0.006 0.000 2.520 263 E HA -0.006 4.344 4.350 0.001 0.000 0.201 263 E C 0.957 177.561 176.600 0.006 0.000 1.122 263 E CA 0.265 56.669 56.400 0.006 0.000 0.896 263 E CB 0.149 29.852 29.700 0.004 0.000 0.891 263 E HN 0.419 nan 8.360 nan 0.000 0.533 264 A N 0.750 123.574 122.820 0.006 0.000 2.013 264 A HA 0.186 4.507 4.320 0.001 0.000 0.204 264 A C 1.893 179.481 177.584 0.008 0.000 1.262 264 A CA -0.219 51.821 52.037 0.006 0.000 0.800 264 A CB -0.184 18.818 19.000 0.004 0.000 0.909 264 A HN 0.315 nan 8.150 nan 0.000 0.472 265 L N 0.909 122.137 121.223 0.009 0.000 1.988 265 L HA -0.138 4.203 4.340 0.001 0.000 0.207 265 L C 1.254 178.132 176.870 0.013 0.000 1.071 265 L CA 1.901 56.748 54.840 0.011 0.000 0.744 265 L CB -0.406 41.660 42.059 0.012 0.000 0.893 265 L HN 0.680 nan 8.230 nan 0.000 0.433 266 N N -0.026 118.682 118.700 0.014 0.000 2.683 266 N HA 0.071 4.812 4.740 0.001 0.000 0.256 266 N C 0.076 175.593 175.510 0.012 0.000 1.270 266 N CA 0.692 53.751 53.050 0.015 0.000 0.954 266 N CB 0.618 39.115 38.487 0.017 0.000 1.289 266 N HN 0.273 nan 8.380 nan 0.000 0.508 267 A N 0.612 123.439 122.820 0.011 0.000 2.027 267 A HA 0.112 4.433 4.320 0.001 0.000 0.196 267 A C 1.618 179.208 177.584 0.010 0.000 1.573 267 A CA -0.257 51.786 52.037 0.010 0.000 1.097 267 A CB 0.203 19.208 19.000 0.008 0.000 1.196 267 A HN 0.417 nan 8.150 nan 0.000 0.462 268 R N -0.272 120.235 120.500 0.011 0.000 2.466 268 R HA 0.442 4.782 4.340 0.001 0.000 0.279 268 R C 0.275 176.584 176.300 0.014 0.000 0.976 268 R CA 0.492 56.599 56.100 0.012 0.000 1.081 268 R CB 0.109 30.415 30.300 0.010 0.000 1.215 268 R HN 0.133 nan 8.270 nan 0.000 0.546 269 V N 0.165 120.088 119.914 0.015 0.000 2.788 269 V HA 0.148 4.269 4.120 0.001 0.000 0.241 269 V C 2.226 178.332 176.094 0.020 0.000 1.083 269 V CA 1.458 63.770 62.300 0.019 0.000 1.103 269 V CB 0.472 32.307 31.823 0.021 0.000 0.800 269 V HN 0.475 nan 8.190 nan 0.000 0.476 270 A N 0.217 123.047 122.820 0.018 0.000 2.066 270 A HA 0.055 4.375 4.320 0.001 0.000 0.218 270 A C 2.300 179.894 177.584 0.017 0.000 1.157 270 A CA 1.601 53.648 52.037 0.017 0.000 0.670 270 A CB -0.499 18.509 19.000 0.013 0.000 0.804 270 A HN 0.528 nan 8.150 nan 0.000 0.453 271 A N 0.293 123.122 122.820 0.016 0.000 1.933 271 A HA 0.013 4.334 4.320 0.001 0.000 0.218 271 A C 1.811 179.405 177.584 0.017 0.000 1.175 271 A CA 1.529 53.575 52.037 0.015 0.000 0.628 271 A CB -0.559 18.449 19.000 0.013 0.000 0.814 271 A HN 0.929 nan 8.150 nan 0.000 0.444 272 L N -5.744 115.490 121.223 0.019 0.000 2.959 272 L HA 0.727 5.068 4.340 0.001 0.000 0.259 272 L C 1.252 178.138 176.870 0.027 0.000 1.185 272 L CA 0.453 55.306 54.840 0.021 0.000 0.998 272 L CB 0.340 42.410 42.059 0.019 0.000 1.337 272 L HN 0.141 nan 8.230 nan 0.000 0.555 273 A N -0.141 122.697 122.820 0.029 0.000 1.878 273 A HA 0.120 4.441 4.320 0.001 0.000 0.201 273 A C 1.846 179.455 177.584 0.042 0.000 1.684 273 A CA 0.619 52.679 52.037 0.039 0.000 1.113 273 A CB 0.078 19.102 19.000 0.040 0.000 1.131 273 A HN 0.231 nan 8.150 nan 0.000 0.472 274 E N 1.331 121.550 120.200 0.032 0.000 2.072 274 E HA -0.274 4.077 4.350 0.001 0.000 0.218 274 E C 1.974 178.596 176.600 0.036 0.000 1.051 274 E CA 2.834 59.250 56.400 0.028 0.000 0.880 274 E CB -0.522 29.189 29.700 0.019 0.000 0.783 274 E HN 0.552 nan 8.360 nan 0.000 0.473 275 A N 0.504 123.343 122.820 0.033 0.000 1.883 275 A HA -0.217 4.104 4.320 0.001 0.000 0.217 275 A C 2.242 179.855 177.584 0.049 0.000 1.186 275 A CA 2.046 54.104 52.037 0.036 0.000 0.624 275 A CB -0.632 18.385 19.000 0.028 0.000 0.822 275 A HN 0.302 nan 8.150 nan 0.000 0.444 276 R N -0.517 120.012 120.500 0.049 0.000 2.127 276 R HA -0.084 4.256 4.340 0.001 0.000 0.238 276 R C 2.003 178.353 176.300 0.083 0.000 1.134 276 R CA 1.375 57.509 56.100 0.056 0.000 0.975 276 R CB -0.610 29.719 30.300 0.048 0.000 0.865 276 R HN 0.528 nan 8.270 nan 0.000 0.447 277 L N -0.133 121.150 121.223 0.101 0.000 2.109 277 L HA -0.073 4.267 4.340 0.001 0.000 0.207 277 L C 2.547 179.547 176.870 0.217 0.000 1.086 277 L CA 0.844 55.787 54.840 0.171 0.000 0.760 277 L CB -0.377 41.776 42.059 0.157 0.000 0.910 277 L HN 0.147 nan 8.230 nan 0.000 0.437 278 S N -0.641 115.133 115.700 0.124 0.000 2.469 278 S HA -0.168 4.302 4.470 0.001 0.000 0.238 278 S C 1.456 176.133 174.600 0.129 0.000 0.998 278 S CA 1.197 59.461 58.200 0.106 0.000 0.957 278 S CB -0.160 63.072 63.200 0.052 0.000 0.764 278 S HN 0.397 nan 8.310 nan 0.000 0.514 279 D N 0.678 121.147 120.400 0.114 0.000 2.262 279 D HA 0.202 4.842 4.640 0.001 0.000 0.212 279 D C 2.163 178.521 176.300 0.096 0.000 0.964 279 D CA 0.926 54.980 54.000 0.089 0.000 0.875 279 D CB -0.403 40.432 40.800 0.060 0.000 0.996 279 D HN 0.432 nan 8.370 nan 0.000 0.497 280 A N 0.325 123.211 122.820 0.110 0.000 2.024 280 A HA -0.196 4.125 4.320 0.001 0.000 0.220 280 A C 1.515 179.098 177.584 -0.001 0.000 1.164 280 A CA 1.027 53.096 52.037 0.053 0.000 0.643 280 A CB -0.860 18.174 19.000 0.057 0.000 0.806 280 A HN 0.236 nan 8.150 nan 0.000 0.451 281 Y N -0.682 119.647 120.300 0.048 0.000 2.502 281 Y HA 0.120 4.670 4.550 0.001 0.000 0.295 281 Y C 2.199 178.123 175.900 0.040 0.000 1.193 281 Y CA 0.468 58.600 58.100 0.053 0.000 1.295 281 Y CB 0.040 38.534 38.460 0.057 0.000 1.059 281 Y HN 0.250 nan 8.280 nan 0.000 0.514 282 R N 0.189 120.755 120.500 0.110 0.000 2.308 282 R HA 0.200 4.540 4.340 0.001 0.000 0.202 282 R C 0.359 176.676 176.300 0.029 0.000 0.898 282 R CA 0.009 56.152 56.100 0.073 0.000 1.046 282 R CB 0.265 30.603 30.300 0.063 0.000 1.026 282 R HN 0.249 nan 8.270 nan 0.000 0.512 283 I N -0.663 119.907 120.570 0.000 0.000 2.416 283 I HA 0.176 4.347 4.170 0.001 0.000 0.288 283 I C 0.629 176.722 176.117 -0.039 0.000 1.051 283 I CA -0.191 61.096 61.300 -0.022 0.000 1.375 283 I CB 1.697 39.675 38.000 -0.035 0.000 1.407 283 I HN -0.139 nan 8.210 nan 0.000 0.516 284 T N 2.917 117.453 114.554 -0.031 0.000 2.701 284 T HA -0.113 4.238 4.350 0.001 0.000 0.263 284 T C 0.511 175.171 174.700 -0.066 0.000 1.040 284 T CA 0.909 62.988 62.100 -0.036 0.000 1.147 284 T CB -0.446 68.408 68.868 -0.024 0.000 0.865 284 T HN 0.681 nan 8.240 nan 0.000 0.426 285 D N 2.368 122.726 120.400 -0.071 0.000 2.536 285 D HA -0.031 4.609 4.640 0.001 0.000 0.260 285 D C 1.052 177.257 176.300 -0.159 0.000 1.270 285 D CA 0.316 54.258 54.000 -0.097 0.000 0.934 285 D CB 0.652 41.403 40.800 -0.082 0.000 1.129 285 D HN 0.343 nan 8.370 nan 0.000 0.533 286 K N 3.147 123.428 120.400 -0.198 0.000 1.987 286 K HA -0.299 4.022 4.320 0.001 0.000 0.216 286 K C 1.939 178.185 176.600 -0.590 0.000 1.051 286 K CA 1.797 57.874 56.287 -0.349 0.000 0.942 286 K CB 0.085 32.398 32.500 -0.311 0.000 0.722 286 K HN 0.371 nan 8.250 nan 0.000 0.444 287 Q N 0.325 119.852 119.800 -0.455 0.000 2.291 287 Q HA -0.169 4.172 4.340 0.001 0.000 0.206 287 Q C 1.716 177.583 176.000 -0.222 0.000 0.976 287 Q CA 1.883 57.448 55.803 -0.398 0.000 0.875 287 Q CB -0.107 28.512 28.738 -0.198 0.000 0.927 287 Q HN 0.477 nan 8.270 nan 0.000 0.450 288 E N 0.697 120.791 120.200 -0.177 0.000 2.230 288 E HA -0.149 4.202 4.350 0.001 0.000 0.192 288 E C 2.063 178.615 176.600 -0.081 0.000 0.987 288 E CA 0.377 56.719 56.400 -0.095 0.000 0.841 288 E CB 0.086 29.741 29.700 -0.076 0.000 0.783 288 E HN 0.473 nan 8.360 nan 0.000 0.481 289 R N -0.316 120.104 120.500 -0.133 0.000 2.062 289 R HA -0.120 4.221 4.340 0.001 0.000 0.229 289 R C 2.072 178.388 176.300 0.027 0.000 1.128 289 R CA 1.389 57.427 56.100 -0.104 0.000 0.960 289 R CB -0.412 29.781 30.300 -0.179 0.000 0.855 289 R HN 0.288 nan 8.270 nan 0.000 0.432 290 Y N 0.283 120.521 120.300 -0.105 0.000 2.165 290 Y HA -0.280 4.270 4.550 0.001 0.000 0.286 290 Y C 2.592 178.463 175.900 -0.048 0.000 1.155 290 Y CA 0.247 58.304 58.100 -0.071 0.000 1.164 290 Y CB -0.248 38.186 38.460 -0.042 0.000 0.978 290 Y HN 0.340 nan 8.280 nan 0.000 0.513 291 A N 0.243 123.140 122.820 0.128 0.000 1.851 291 A HA -0.336 3.985 4.320 0.001 0.000 0.216 291 A C 2.040 179.649 177.584 0.041 0.000 1.195 291 A CA 2.184 54.258 52.037 0.063 0.000 0.622 291 A CB -0.927 18.089 19.000 0.028 0.000 0.831 291 A HN 0.395 nan 8.150 nan 0.000 0.444 292 Q N -0.185 119.630 119.800 0.025 0.000 2.135 292 Q HA -0.104 4.237 4.340 0.001 0.000 0.204 292 Q C 1.898 177.916 176.000 0.030 0.000 0.981 292 Q CA 2.090 57.904 55.803 0.018 0.000 0.856 292 Q CB -0.662 28.078 28.738 0.004 0.000 0.902 292 Q HN 0.379 nan 8.270 nan 0.000 0.425 293 V N 0.730 120.664 119.914 0.034 0.000 2.270 293 V HA -0.217 3.904 4.120 0.001 0.000 0.245 293 V C 1.715 177.835 176.094 0.044 0.000 1.043 293 V CA 2.066 64.396 62.300 0.050 0.000 1.014 293 V CB -0.665 31.187 31.823 0.047 0.000 0.645 293 V HN 0.325 nan 8.190 nan 0.000 0.447 294 D N -0.070 120.352 120.400 0.037 0.000 2.182 294 D HA -0.130 4.511 4.640 0.001 0.000 0.201 294 D C 2.061 178.375 176.300 0.024 0.000 0.986 294 D CA 1.054 55.068 54.000 0.023 0.000 0.847 294 D CB -0.211 40.603 40.800 0.024 0.000 0.942 294 D HN 0.298 nan 8.370 nan 0.000 0.467 295 V N 0.713 120.643 119.914 0.027 0.000 2.283 295 V HA -0.187 3.934 4.120 0.001 0.000 0.243 295 V C 2.491 178.601 176.094 0.025 0.000 1.039 295 V CA 0.986 63.300 62.300 0.023 0.000 1.016 295 V CB -0.316 31.520 31.823 0.022 0.000 0.650 295 V HN 0.200 nan 8.190 nan 0.000 0.449 296 I N -0.225 120.365 120.570 0.033 0.000 2.194 296 I HA -0.318 3.852 4.170 0.001 0.000 0.246 296 I C 2.562 178.700 176.117 0.035 0.000 1.093 296 I CA 1.820 63.142 61.300 0.038 0.000 1.355 296 I CB -0.450 37.582 38.000 0.053 0.000 1.046 296 I HN 0.297 nan 8.210 nan 0.000 0.413 297 K N 0.161 120.583 120.400 0.035 0.000 2.148 297 K HA -0.076 4.245 4.320 0.001 0.000 0.204 297 K C 2.310 178.922 176.600 0.020 0.000 1.050 297 K CA 1.356 57.660 56.287 0.029 0.000 0.942 297 K CB -0.051 32.464 32.500 0.025 0.000 0.724 297 K HN 0.217 nan 8.250 nan 0.000 0.446 298 S N 1.274 116.984 115.700 0.017 0.000 2.345 298 S HA -0.111 4.360 4.470 0.001 0.000 0.219 298 S C 1.771 176.379 174.600 0.013 0.000 1.031 298 S CA 1.078 59.286 58.200 0.012 0.000 0.984 298 S CB -0.115 63.092 63.200 0.011 0.000 0.874 298 S HN 0.311 nan 8.310 nan 0.000 0.451 299 E N 0.782 120.991 120.200 0.016 0.000 2.058 299 E HA -0.133 4.218 4.350 0.001 0.000 0.194 299 E C 2.203 178.813 176.600 0.016 0.000 0.997 299 E CA 1.618 58.027 56.400 0.015 0.000 0.801 299 E CB -0.383 29.327 29.700 0.017 0.000 0.746 299 E HN 0.397 nan 8.360 nan 0.000 0.450 300 T N 1.464 116.029 114.554 0.019 0.000 2.720 300 T HA -0.158 4.193 4.350 0.001 0.000 0.268 300 T C 1.981 176.691 174.700 0.017 0.000 1.037 300 T CA 1.038 63.150 62.100 0.019 0.000 1.144 300 T CB -0.204 68.679 68.868 0.024 0.000 0.864 300 T HN 0.122 nan 8.240 nan 0.000 0.444 301 I N 1.178 121.757 120.570 0.016 0.000 2.202 301 I HA -0.159 4.012 4.170 0.001 0.000 0.242 301 I C 2.954 179.077 176.117 0.011 0.000 1.091 301 I CA 1.114 62.422 61.300 0.013 0.000 1.368 301 I CB -0.517 37.489 38.000 0.011 0.000 1.058 301 I HN 0.200 nan 8.210 nan 0.000 0.410 302 A N 0.293 123.119 122.820 0.010 0.000 1.933 302 A HA -0.193 4.127 4.320 0.001 0.000 0.218 302 A C 2.355 179.945 177.584 0.009 0.000 1.175 302 A CA 2.344 54.386 52.037 0.009 0.000 0.628 302 A CB -1.005 18.000 19.000 0.008 0.000 0.814 302 A HN 0.379 nan 8.150 nan 0.000 0.444 303 T N 0.321 114.881 114.554 0.010 0.000 2.821 303 T HA -0.038 4.313 4.350 0.001 0.000 0.267 303 T C 1.770 176.476 174.700 0.009 0.000 1.046 303 T CA 1.366 63.472 62.100 0.010 0.000 1.139 303 T CB -0.291 68.584 68.868 0.011 0.000 0.871 303 T HN 0.380 nan 8.240 nan 0.000 0.454 304 L N 0.390 121.619 121.223 0.010 0.000 2.072 304 L HA 0.094 4.435 4.340 0.001 0.000 0.205 304 L C 2.265 179.140 176.870 0.008 0.000 1.079 304 L CA 0.899 55.745 54.840 0.010 0.000 0.752 304 L CB -0.537 41.529 42.059 0.011 0.000 0.906 304 L HN 0.237 nan 8.230 nan 0.000 0.436 305 L N -0.166 121.062 121.223 0.008 0.000 2.549 305 L HA -0.156 4.185 4.340 0.001 0.000 0.230 305 L C 2.401 179.275 176.870 0.006 0.000 1.162 305 L CA 0.649 55.493 54.840 0.007 0.000 0.834 305 L CB -0.541 41.522 42.059 0.007 0.000 0.947 305 L HN 0.254 nan 8.230 nan 0.000 0.452 306 A N -0.865 121.959 122.820 0.007 0.000 2.085 306 A HA 0.011 4.331 4.320 0.001 0.000 0.208 306 A C 2.062 179.649 177.584 0.006 0.000 1.191 306 A CA 0.131 52.171 52.037 0.006 0.000 0.799 306 A CB 0.121 19.124 19.000 0.006 0.000 0.877 306 A HN 0.325 nan 8.150 nan 0.000 0.473 307 E N 0.037 120.241 120.200 0.006 0.000 2.024 307 E HA -0.058 4.292 4.350 0.001 0.000 0.190 307 E C 1.075 177.679 176.600 0.006 0.000 0.974 307 E CA 1.051 57.455 56.400 0.006 0.000 0.810 307 E CB 0.012 29.716 29.700 0.007 0.000 0.775 307 E HN 0.609 nan 8.360 nan 0.000 0.453 308 D N -0.399 120.005 120.400 0.006 0.000 2.733 308 D HA 0.078 4.719 4.640 0.001 0.000 0.239 308 D C -0.528 175.775 176.300 0.005 0.000 1.225 308 D CA 0.049 54.053 54.000 0.006 0.000 1.168 308 D CB 0.616 41.419 40.800 0.006 0.000 1.110 308 D HN 0.142 nan 8.370 nan 0.000 0.440 309 E N -3.191 117.013 120.200 0.006 0.000 2.391 309 E HA 0.115 4.465 4.350 0.001 0.000 0.280 309 E C -0.823 175.781 176.600 0.005 0.000 1.240 309 E CA 0.066 56.469 56.400 0.005 0.000 1.007 309 E CB -0.806 28.897 29.700 0.005 0.000 1.262 309 E HN 0.645 nan 8.360 nan 0.000 0.397 310 T N -1.867 112.690 114.554 0.005 0.000 4.210 310 T HA -0.227 4.123 4.350 0.001 0.000 0.329 310 T C 0.540 175.244 174.700 0.006 0.000 0.793 310 T CA 1.579 63.683 62.100 0.005 0.000 1.935 310 T CB -2.278 66.593 68.868 0.005 0.000 1.918 310 T HN 0.503 nan 8.240 nan 0.000 0.875 311 L N 0.432 121.659 121.223 0.007 0.000 2.627 311 L HA 0.229 4.570 4.340 0.001 0.000 0.232 311 L C 1.006 177.881 176.870 0.009 0.000 1.150 311 L CA 0.615 55.460 54.840 0.008 0.000 0.917 311 L CB -0.342 41.722 42.059 0.009 0.000 1.104 311 L HN 0.606 nan 8.230 nan 0.000 0.445 312 D N 1.084 121.489 120.400 0.008 0.000 3.508 312 D HA -0.202 4.438 4.640 0.001 0.000 0.232 312 D C 1.200 177.506 176.300 0.009 0.000 1.131 312 D CA 0.554 54.559 54.000 0.008 0.000 1.040 312 D CB -0.062 40.745 40.800 0.010 0.000 0.879 312 D HN 0.499 nan 8.370 nan 0.000 0.407 313 E N 1.271 121.475 120.200 0.007 0.000 2.113 313 E HA -0.373 3.978 4.350 0.001 0.000 0.210 313 E C 1.602 178.206 176.600 0.007 0.000 1.040 313 E CA 1.628 58.031 56.400 0.006 0.000 0.847 313 E CB -0.246 29.456 29.700 0.003 0.000 0.755 313 E HN 0.591 nan 8.360 nan 0.000 0.459 314 N N 0.890 119.593 118.700 0.005 0.000 2.064 314 N HA -0.269 4.471 4.740 0.001 0.000 0.200 314 N C 1.735 177.253 175.510 0.012 0.000 1.028 314 N CA 1.976 55.029 53.050 0.004 0.000 0.880 314 N CB -0.159 38.330 38.487 0.004 0.000 1.062 314 N HN 0.248 nan 8.380 nan 0.000 0.454 315 E N -0.273 119.936 120.200 0.016 0.000 2.110 315 E HA -0.156 4.194 4.350 0.001 0.000 0.193 315 E C 2.026 178.642 176.600 0.025 0.000 0.988 315 E CA 0.723 57.137 56.400 0.023 0.000 0.804 315 E CB -0.095 29.618 29.700 0.022 0.000 0.745 315 E HN 0.414 nan 8.360 nan 0.000 0.458 316 L N -0.140 121.096 121.223 0.020 0.000 2.046 316 L HA -0.102 4.238 4.340 0.001 0.000 0.208 316 L C 2.617 179.502 176.870 0.026 0.000 1.077 316 L CA 1.260 56.113 54.840 0.021 0.000 0.747 316 L CB -0.606 41.463 42.059 0.017 0.000 0.896 316 L HN 0.279 nan 8.230 nan 0.000 0.432 317 G N -0.839 107.974 108.800 0.020 0.000 2.422 317 G HA2 -0.263 3.698 3.960 0.001 0.000 0.218 317 G HA3 -0.263 3.698 3.960 0.001 0.000 0.218 317 G C 1.453 176.378 174.900 0.041 0.000 1.140 317 G CA 0.506 45.618 45.100 0.020 0.000 0.775 317 G HN 0.428 nan 8.290 nan 0.000 0.545 318 E N -0.049 120.177 120.200 0.043 0.000 2.204 318 E HA -0.044 4.307 4.350 0.001 0.000 0.194 318 E C 2.262 178.910 176.600 0.080 0.000 0.989 318 E CA 0.444 56.885 56.400 0.069 0.000 0.824 318 E CB -0.114 29.618 29.700 0.053 0.000 0.756 318 E HN 0.551 nan 8.360 nan 0.000 0.477 319 I N 0.313 120.918 120.570 0.057 0.000 2.480 319 I HA -0.177 3.993 4.170 0.001 0.000 0.251 319 I C 2.218 178.365 176.117 0.050 0.000 1.124 319 I CA 0.316 61.644 61.300 0.046 0.000 1.444 319 I CB -0.026 37.993 38.000 0.033 0.000 1.098 319 I HN 0.144 nan 8.210 nan 0.000 0.428 320 L N 0.094 121.354 121.223 0.062 0.000 2.046 320 L HA -0.268 4.072 4.340 0.001 0.000 0.208 320 L C 2.688 179.620 176.870 0.103 0.000 1.077 320 L CA 1.530 56.411 54.840 0.068 0.000 0.747 320 L CB -0.852 41.245 42.059 0.064 0.000 0.896 320 L HN 0.361 nan 8.230 nan 0.000 0.432 321 H N -0.309 118.756 119.070 -0.007 0.000 2.457 321 H HA -0.198 4.359 4.556 0.001 0.000 0.297 321 H C 2.067 177.369 175.328 -0.043 0.000 1.092 321 H CA 0.980 57.014 56.048 -0.024 0.000 1.309 321 H CB 0.440 30.185 29.762 -0.029 0.000 1.382 321 H HN 0.407 nan 8.280 nan 0.000 0.535 322 A N 1.542 124.341 122.820 -0.034 0.000 1.898 322 A HA -0.076 4.245 4.320 0.001 0.000 0.214 322 A C 2.378 179.912 177.584 -0.082 0.000 1.183 322 A CA 1.023 53.001 52.037 -0.099 0.000 0.622 322 A CB -0.437 18.544 19.000 -0.033 0.000 0.824 322 A HN 0.591 nan 8.150 nan 0.000 0.444 323 I N -0.855 119.693 120.570 -0.037 0.000 2.830 323 I HA -0.093 4.077 4.170 0.001 0.000 0.263 323 I C 1.655 177.735 176.117 -0.062 0.000 1.230 323 I CA 2.152 63.433 61.300 -0.033 0.000 1.480 323 I CB -1.028 36.969 38.000 -0.005 0.000 1.095 323 I HN 0.576 nan 8.210 nan 0.000 0.455 324 E N 1.646 121.804 120.200 -0.069 0.000 2.046 324 E HA -0.185 4.166 4.350 0.001 0.000 0.190 324 E C 1.844 178.309 176.600 -0.225 0.000 0.982 324 E CA 0.674 57.010 56.400 -0.108 0.000 0.800 324 E CB 0.116 29.833 29.700 0.028 0.000 0.756 324 E HN 0.212 nan 8.360 nan 0.000 0.449 325 K N 1.017 121.262 120.400 -0.258 0.000 2.280 325 K HA -0.104 4.217 4.320 0.001 0.000 0.202 325 K C 1.700 178.270 176.600 -0.050 0.000 1.047 325 K CA 0.692 56.792 56.287 -0.311 0.000 0.942 325 K CB -0.424 31.718 32.500 -0.598 0.000 0.739 325 K HN 0.279 nan 8.250 nan 0.000 0.457 326 N N 0.627 119.281 118.700 -0.077 0.000 2.395 326 N HA -0.074 4.666 4.740 0.001 0.000 0.175 326 N C 1.583 177.055 175.510 -0.062 0.000 1.029 326 N CA 0.361 53.392 53.050 -0.031 0.000 0.897 326 N CB 0.393 38.863 38.487 -0.029 0.000 0.991 326 N HN -0.138 nan 8.380 nan 0.000 0.441 327 V N 0.918 120.754 119.914 -0.130 0.000 2.407 327 V HA -0.153 3.968 4.120 0.001 0.000 0.248 327 V C 2.396 178.373 176.094 -0.195 0.000 1.055 327 V CA 1.047 63.247 62.300 -0.167 0.000 1.049 327 V CB -0.156 31.517 31.823 -0.250 0.000 0.662 327 V HN 0.106 nan 8.190 nan 0.000 0.455 328 V N -0.167 119.599 119.914 -0.246 0.000 2.453 328 V HA -0.213 3.907 4.120 0.001 0.000 0.247 328 V C 2.517 178.590 176.094 -0.035 0.000 1.048 328 V CA 2.214 64.427 62.300 -0.145 0.000 1.049 328 V CB -0.742 31.046 31.823 -0.059 0.000 0.672 328 V HN 0.497 nan 8.190 nan 0.000 0.457 329 R N -0.090 120.408 120.500 -0.003 0.000 2.096 329 R HA -0.137 4.203 4.340 0.001 0.000 0.235 329 R C 2.365 178.651 176.300 -0.023 0.000 1.127 329 R CA 1.805 57.892 56.100 -0.021 0.000 0.968 329 R CB -0.173 30.128 30.300 0.002 0.000 0.861 329 R HN 0.485 nan 8.270 nan 0.000 0.440 330 S N 0.125 115.810 115.700 -0.025 0.000 2.387 330 S HA -0.011 4.459 4.470 0.001 0.000 0.226 330 S C 1.763 176.355 174.600 -0.014 0.000 1.026 330 S CA 0.832 59.021 58.200 -0.018 0.000 0.972 330 S CB -0.038 63.150 63.200 -0.019 0.000 0.814 330 S HN 0.387 nan 8.310 nan 0.000 0.477 331 R N 0.531 121.020 120.500 -0.018 0.000 2.075 331 R HA -0.004 4.337 4.340 0.001 0.000 0.232 331 R C 2.190 178.491 176.300 0.002 0.000 1.126 331 R CA 1.117 57.217 56.100 -0.000 0.000 0.963 331 R CB -0.570 29.737 30.300 0.012 0.000 0.858 331 R HN 0.211 nan 8.270 nan 0.000 0.435 332 V N 1.385 121.297 119.914 -0.004 0.000 2.343 332 V HA -0.213 3.908 4.120 0.001 0.000 0.247 332 V C 2.191 178.279 176.094 -0.010 0.000 1.051 332 V CA 1.611 63.908 62.300 -0.005 0.000 1.036 332 V CB -0.343 31.471 31.823 -0.015 0.000 0.654 332 V HN 0.275 nan 8.190 nan 0.000 0.451 333 L N 0.076 121.291 121.223 -0.012 0.000 2.201 333 L HA -0.088 4.252 4.340 0.001 0.000 0.212 333 L C 2.409 179.269 176.870 -0.017 0.000 1.105 333 L CA 1.342 56.174 54.840 -0.013 0.000 0.775 333 L CB -0.544 41.511 42.059 -0.007 0.000 0.913 333 L HN 0.344 nan 8.230 nan 0.000 0.440 334 A N -0.852 121.961 122.820 -0.011 0.000 2.208 334 A HA 0.306 4.626 4.320 0.001 0.000 0.209 334 A C 1.777 179.355 177.584 -0.011 0.000 1.161 334 A CA 0.780 52.811 52.037 -0.010 0.000 0.782 334 A CB -0.274 18.724 19.000 -0.003 0.000 0.816 334 A HN 0.492 nan 8.150 nan 0.000 0.477 335 G N -0.918 107.875 108.800 -0.011 0.000 2.176 335 G HA2 -0.180 3.780 3.960 0.001 0.000 0.232 335 G HA3 -0.180 3.780 3.960 0.001 0.000 0.232 335 G C -0.077 174.823 174.900 0.000 0.000 0.986 335 G CA 0.168 45.261 45.100 -0.011 0.000 0.643 335 G HN 0.454 nan 8.290 nan 0.000 0.522 336 E N 0.991 121.196 120.200 0.009 0.000 2.392 336 E HA 0.344 4.694 4.350 0.001 0.000 0.256 336 E C -2.083 174.533 176.600 0.027 0.000 1.145 336 E CA -1.423 54.990 56.400 0.021 0.000 0.929 336 E CB 0.155 29.874 29.700 0.032 0.000 0.998 336 E HN 0.212 nan 8.360 nan 0.000 0.442 337 P HA 0.088 nan 4.420 nan 0.000 0.269 337 P C 0.051 177.385 177.300 0.056 0.000 1.215 337 P CA 0.086 63.209 63.100 0.038 0.000 0.780 337 P CB 0.575 32.297 31.700 0.038 0.000 0.898 338 R N 1.147 121.678 120.500 0.052 0.000 2.896 338 R HA 0.121 4.462 4.340 0.001 0.000 0.283 338 R C 1.887 178.251 176.300 0.106 0.000 1.201 338 R CA -0.206 55.935 56.100 0.068 0.000 1.178 338 R CB -0.235 30.097 30.300 0.053 0.000 1.152 338 R HN 0.517 nan 8.270 nan 0.000 0.590 339 I N -1.422 119.232 120.570 0.141 0.000 2.454 339 I HA -0.158 4.013 4.170 0.001 0.000 0.254 339 I C 0.730 176.927 176.117 0.133 0.000 1.156 339 I CA 1.483 62.900 61.300 0.194 0.000 1.433 339 I CB -0.420 37.735 38.000 0.258 0.000 1.082 339 I HN 0.536 nan 8.210 nan 0.000 0.432 340 D N 0.499 120.957 120.400 0.096 0.000 2.349 340 D HA 0.215 4.856 4.640 0.001 0.000 0.214 340 D C 1.602 177.925 176.300 0.039 0.000 1.063 340 D CA 0.570 54.607 54.000 0.062 0.000 0.847 340 D CB 0.509 41.344 40.800 0.058 0.000 0.933 340 D HN 0.512 nan 8.370 nan 0.000 0.513 341 G N 0.222 109.048 108.800 0.044 0.000 2.259 341 G HA2 -0.278 3.683 3.960 0.001 0.000 0.217 341 G HA3 -0.278 3.683 3.960 0.001 0.000 0.217 341 G C 0.425 175.339 174.900 0.023 0.000 1.001 341 G CA -0.261 44.856 45.100 0.029 0.000 0.627 341 G HN 0.422 nan 8.290 nan 0.000 0.501 342 R N 1.004 121.519 120.500 0.024 0.000 2.774 342 R HA 0.530 4.871 4.340 0.001 0.000 0.269 342 R C 0.189 176.497 176.300 0.013 0.000 1.068 342 R CA 0.092 56.201 56.100 0.014 0.000 1.180 342 R CB 0.434 30.742 30.300 0.014 0.000 1.077 342 R HN 0.283 nan 8.270 nan 0.000 0.513 343 E N 1.296 121.498 120.200 0.003 0.000 2.232 343 E HA 0.037 4.388 4.350 0.001 0.000 0.265 343 E C 0.490 177.090 176.600 -0.001 0.000 1.001 343 E CA -0.425 55.976 56.400 0.001 0.000 0.870 343 E CB 1.242 30.938 29.700 -0.006 0.000 1.175 343 E HN 0.535 nan 8.360 nan 0.000 0.407 344 K N 0.674 121.074 120.400 -0.000 0.000 2.228 344 K HA -0.209 4.112 4.320 0.001 0.000 0.205 344 K C 0.649 177.250 176.600 0.002 0.000 1.045 344 K CA 2.209 58.498 56.287 0.004 0.000 0.931 344 K CB -0.005 32.498 32.500 0.004 0.000 0.727 344 K HN 0.381 nan 8.250 nan 0.000 0.458 345 D N 0.061 120.455 120.400 -0.009 0.000 2.398 345 D HA 0.021 4.661 4.640 0.001 0.000 0.210 345 D C 0.375 176.649 176.300 -0.043 0.000 1.094 345 D CA -0.175 53.814 54.000 -0.018 0.000 0.839 345 D CB 0.011 40.800 40.800 -0.019 0.000 0.963 345 D HN 0.235 nan 8.370 nan 0.000 0.506 346 M N 1.211 120.788 119.600 -0.039 0.000 2.200 346 M HA 0.204 4.685 4.480 0.001 0.000 0.355 346 M C -0.100 176.175 176.300 -0.042 0.000 1.283 346 M CA -0.115 55.152 55.300 -0.056 0.000 1.124 346 M CB 1.584 34.163 32.600 -0.034 0.000 1.625 346 M HN -0.184 nan 8.290 nan 0.000 0.463 347 I N 2.759 123.290 120.570 -0.064 0.000 2.437 347 I HA 0.379 4.549 4.170 0.001 0.000 0.298 347 I C 0.495 176.625 176.117 0.021 0.000 0.984 347 I CA -0.657 60.642 61.300 -0.002 0.000 1.214 347 I CB 1.273 39.301 38.000 0.047 0.000 1.365 347 I HN 0.680 nan 8.210 nan 0.000 0.469 348 R N 2.207 122.727 120.500 0.034 0.000 2.801 348 R HA 0.334 4.674 4.340 0.001 0.000 0.273 348 R C 0.645 176.964 176.300 0.031 0.000 1.080 348 R CA -0.180 55.934 56.100 0.025 0.000 1.197 348 R CB 0.060 30.369 30.300 0.016 0.000 1.109 348 R HN 0.851 nan 8.270 nan 0.000 0.535 349 G N 1.261 110.068 108.800 0.012 0.000 2.272 349 G HA2 0.141 4.101 3.960 0.001 0.000 0.247 349 G HA3 0.141 4.101 3.960 0.001 0.000 0.247 349 G C -0.121 174.754 174.900 -0.041 0.000 1.272 349 G CA -0.324 44.777 45.100 0.003 0.000 0.921 349 G HN 0.244 nan 8.290 nan 0.000 0.495 350 L N 1.739 122.938 121.223 -0.041 0.000 2.448 350 L HA 0.622 4.962 4.340 0.001 0.000 0.258 350 L C -0.006 176.779 176.870 -0.142 0.000 1.104 350 L CA -0.785 53.974 54.840 -0.135 0.000 0.800 350 L CB 1.450 43.461 42.059 -0.081 0.000 1.241 350 L HN 0.445 nan 8.230 nan 0.000 0.472 351 D N 0.210 120.480 120.400 -0.216 0.000 2.521 351 D HA 0.284 4.924 4.640 0.001 0.000 0.195 351 D C -1.861 174.356 176.300 -0.139 0.000 1.286 351 D CA -0.163 53.754 54.000 -0.139 0.000 0.854 351 D CB 2.077 42.803 40.800 -0.123 0.000 1.723 351 D HN 0.128 nan 8.370 nan 0.000 0.550 352 V N 4.632 124.527 119.914 -0.032 0.000 2.487 352 V HA 0.625 4.745 4.120 0.001 0.000 0.298 352 V C 0.059 176.177 176.094 0.041 0.000 1.028 352 V CA -0.612 61.720 62.300 0.052 0.000 0.860 352 V CB 1.872 33.764 31.823 0.116 0.000 0.991 352 V HN 0.390 nan 8.190 nan 0.000 0.427 353 R N 2.246 122.777 120.500 0.052 0.000 2.628 353 R HA 0.746 5.087 4.340 0.001 0.000 0.288 353 R C -0.838 175.488 176.300 0.043 0.000 0.980 353 R CA -0.592 55.529 56.100 0.034 0.000 0.891 353 R CB 2.582 32.893 30.300 0.018 0.000 1.188 353 R HN 0.675 nan 8.270 nan 0.000 0.450 354 T N -0.136 114.437 114.554 0.031 0.000 2.942 354 T HA 0.446 4.796 4.350 0.001 0.000 0.289 354 T C 0.366 175.079 174.700 0.020 0.000 1.044 354 T CA 0.144 62.261 62.100 0.028 0.000 1.023 354 T CB 1.655 70.537 68.868 0.024 0.000 1.123 354 T HN 0.827 nan 8.240 nan 0.000 0.512 355 G N 0.876 109.688 108.800 0.020 0.000 2.366 355 G HA2 -0.204 3.756 3.960 0.001 0.000 0.299 355 G HA3 -0.204 3.756 3.960 0.001 0.000 0.299 355 G C 0.805 175.713 174.900 0.013 0.000 1.020 355 G CA 0.461 45.571 45.100 0.017 0.000 1.026 355 G HN 0.614 nan 8.290 nan 0.000 0.512 356 V N -0.426 119.496 119.914 0.014 0.000 2.591 356 V HA 0.151 4.272 4.120 0.001 0.000 0.249 356 V C 1.657 177.753 176.094 0.004 0.000 1.053 356 V CA 1.549 63.855 62.300 0.009 0.000 1.068 356 V CB -0.075 31.755 31.823 0.011 0.000 0.689 356 V HN 0.490 nan 8.190 nan 0.000 0.462 357 L N 0.275 121.501 121.223 0.004 0.000 2.307 357 L HA 0.319 4.660 4.340 0.001 0.000 0.284 357 L C -1.378 175.494 176.870 0.003 0.000 1.023 357 L CA -1.612 53.228 54.840 -0.001 0.000 0.810 357 L CB 1.192 43.246 42.059 -0.008 0.000 1.231 357 L HN 0.024 nan 8.230 nan 0.000 0.423 358 P HA -0.152 nan 4.420 nan 0.000 0.215 358 P C 0.785 178.092 177.300 0.013 0.000 1.163 358 P CA 1.335 64.438 63.100 0.006 0.000 0.894 358 P CB 0.210 31.911 31.700 0.002 0.000 0.791 359 R N -1.019 119.485 120.500 0.007 0.000 2.468 359 R HA 0.197 4.537 4.340 0.001 0.000 0.280 359 R C 0.390 176.693 176.300 0.005 0.000 0.963 359 R CA 0.307 56.415 56.100 0.013 0.000 1.083 359 R CB -0.925 29.377 30.300 0.002 0.000 1.200 359 R HN 0.305 nan 8.270 nan 0.000 0.541 360 T N -2.410 112.143 114.554 -0.002 0.000 2.909 360 T HA 0.266 4.617 4.350 0.001 0.000 0.286 360 T C 1.104 175.845 174.700 0.068 0.000 1.002 360 T CA -0.531 61.547 62.100 -0.035 0.000 1.074 360 T CB 1.349 70.196 68.868 -0.036 0.000 0.984 360 T HN 0.261 nan 8.240 nan 0.000 0.495 361 H N 1.235 120.310 119.070 0.007 0.000 2.456 361 H HA 0.223 4.780 4.556 0.001 0.000 0.296 361 H C 1.256 176.589 175.328 0.008 0.000 1.079 361 H CA 0.203 56.257 56.048 0.010 0.000 1.322 361 H CB 0.214 29.988 29.762 0.020 0.000 1.388 361 H HN 0.862 nan 8.280 nan 0.000 0.538 362 G N 0.006 108.877 108.800 0.119 0.000 2.715 362 G HA2 0.390 4.350 3.960 0.001 0.000 0.297 362 G HA3 0.390 4.350 3.960 0.001 0.000 0.297 362 G C -1.197 173.724 174.900 0.035 0.000 1.386 362 G CA -0.352 44.788 45.100 0.067 0.000 1.157 362 G HN 0.242 nan 8.290 nan 0.000 0.585 363 S N 0.164 115.880 115.700 0.027 0.000 2.632 363 S HA 0.992 5.463 4.470 0.001 0.000 0.289 363 S C -0.348 174.268 174.600 0.027 0.000 1.115 363 S CA -0.268 57.943 58.200 0.018 0.000 0.889 363 S CB 2.432 65.638 63.200 0.010 0.000 1.116 363 S HN 2.394 nan 8.310 nan 0.000 0.486 364 A N 0.841 123.681 122.820 0.033 0.000 2.594 364 A HA 0.704 5.025 4.320 0.001 0.000 0.296 364 A C -1.805 175.820 177.584 0.069 0.000 1.061 364 A CA -0.641 51.428 52.037 0.054 0.000 0.689 364 A CB 1.247 20.287 19.000 0.066 0.000 1.280 364 A HN 1.092 nan 8.150 nan 0.000 0.406 365 L N 2.377 123.649 121.223 0.081 0.000 2.401 365 L HA 0.546 4.887 4.340 0.001 0.000 0.263 365 L C -1.603 175.338 176.870 0.118 0.000 1.004 365 L CA -0.470 54.418 54.840 0.079 0.000 0.881 365 L CB 0.518 42.598 42.059 0.035 0.000 1.219 365 L HN 0.781 nan 8.230 nan 0.000 0.441 366 F N 4.142 124.097 119.950 0.009 0.000 2.405 366 F HA 0.492 5.019 4.527 0.001 0.000 0.355 366 F C 0.132 175.940 175.800 0.014 0.000 1.121 366 F CA -0.101 57.907 58.000 0.013 0.000 1.112 366 F CB 1.480 40.493 39.000 0.022 0.000 1.126 366 F HN 0.336 nan 8.300 nan 0.000 0.481 367 T N 6.720 120.877 114.554 -0.661 0.000 2.879 367 T HA 0.432 4.782 4.350 0.001 0.000 0.290 367 T C -1.290 173.040 174.700 -0.616 0.000 0.993 367 T CA -0.839 60.981 62.100 -0.468 0.000 0.975 367 T CB 0.902 69.646 68.868 -0.207 0.000 0.981 367 T HN 0.881 nan 8.240 nan 0.000 0.439 368 R N 3.740 123.997 120.500 -0.406 0.000 2.412 368 R HA 0.574 4.915 4.340 0.001 0.000 0.304 368 R C 0.977 177.225 176.300 -0.087 0.000 1.066 368 R CA 0.511 56.466 56.100 -0.243 0.000 0.923 368 R CB 0.221 30.455 30.300 -0.110 0.000 1.156 368 R HN 1.185 nan 8.270 nan 0.000 0.513 369 G N 3.365 112.123 108.800 -0.070 0.000 2.557 369 G HA2 -0.363 3.597 3.960 0.001 0.000 0.292 369 G HA3 -0.363 3.597 3.960 0.001 0.000 0.292 369 G C 0.348 175.236 174.900 -0.020 0.000 1.162 369 G CA 0.440 45.525 45.100 -0.025 0.000 0.964 369 G HN 0.650 nan 8.290 nan 0.000 0.541 370 E N 0.960 121.163 120.200 0.005 0.000 2.501 370 E HA 0.334 4.685 4.350 0.001 0.000 0.200 370 E C 0.587 177.199 176.600 0.021 0.000 1.016 370 E CA 0.624 57.033 56.400 0.014 0.000 0.921 370 E CB 0.736 30.456 29.700 0.033 0.000 1.034 370 E HN 0.552 nan 8.360 nan 0.000 0.468 371 T N -0.540 114.027 114.554 0.021 0.000 2.797 371 T HA 0.365 4.715 4.350 0.001 0.000 0.279 371 T C -0.730 173.983 174.700 0.021 0.000 0.991 371 T CA -0.560 61.565 62.100 0.042 0.000 0.979 371 T CB 1.843 70.763 68.868 0.087 0.000 0.943 371 T HN 0.008 nan 8.240 nan 0.000 0.444 372 Q N 2.700 122.511 119.800 0.019 0.000 2.389 372 Q HA 0.708 5.049 4.340 0.001 0.000 0.277 372 Q C -2.018 174.005 176.000 0.038 0.000 1.082 372 Q CA -1.106 54.706 55.803 0.015 0.000 0.810 372 Q CB 2.191 30.922 28.738 -0.012 0.000 1.374 372 Q HN 0.981 nan 8.270 nan 0.000 0.422 373 A N 3.765 126.636 122.820 0.085 0.000 2.381 373 A HA 0.499 4.819 4.320 0.001 0.000 0.299 373 A C -1.734 175.889 177.584 0.065 0.000 1.049 373 A CA -0.643 51.433 52.037 0.065 0.000 0.715 373 A CB 1.281 20.345 19.000 0.107 0.000 1.222 373 A HN 0.763 nan 8.150 nan 0.000 0.428 374 L N 4.073 125.307 121.223 0.018 0.000 2.257 374 L HA 0.624 4.965 4.340 0.001 0.000 0.290 374 L C -1.197 175.671 176.870 -0.003 0.000 1.044 374 L CA -0.465 54.386 54.840 0.017 0.000 0.810 374 L CB 0.944 43.008 42.059 0.007 0.000 1.193 374 L HN 0.491 nan 8.230 nan 0.000 0.425 375 V N 3.656 123.577 119.914 0.011 0.000 2.628 375 V HA 0.584 4.705 4.120 0.001 0.000 0.306 375 V C 0.013 176.095 176.094 -0.021 0.000 1.045 375 V CA -0.443 61.848 62.300 -0.015 0.000 0.905 375 V CB 2.272 34.102 31.823 0.012 0.000 0.997 375 V HN 0.779 nan 8.190 nan 0.000 0.436 376 T N 2.532 117.054 114.554 -0.054 0.000 2.916 376 T HA 0.833 5.184 4.350 0.001 0.000 0.292 376 T C -0.598 174.080 174.700 -0.036 0.000 1.055 376 T CA -0.503 61.572 62.100 -0.042 0.000 1.009 376 T CB 1.945 70.777 68.868 -0.060 0.000 1.118 376 T HN 1.008 nan 8.240 nan 0.000 0.497 377 A N 1.923 124.746 122.820 0.004 0.000 2.381 377 A HA 0.793 5.114 4.320 0.001 0.000 0.299 377 A C -0.196 177.434 177.584 0.077 0.000 1.049 377 A CA -0.860 51.210 52.037 0.055 0.000 0.715 377 A CB 1.036 20.089 19.000 0.088 0.000 1.222 377 A HN 0.867 nan 8.150 nan 0.000 0.428 378 T N 0.644 115.253 114.554 0.092 0.000 2.861 378 T HA 0.749 5.099 4.350 0.001 0.000 0.287 378 T C -0.415 174.465 174.700 0.299 0.000 1.003 378 T CA -0.585 61.586 62.100 0.118 0.000 0.977 378 T CB 0.928 69.727 68.868 -0.116 0.000 0.996 378 T HN 0.474 nan 8.240 nan 0.000 0.448 379 L N 1.319 122.873 121.223 0.552 0.000 2.332 379 L HA 0.948 5.289 4.340 0.001 0.000 0.269 379 L C 0.595 177.622 176.870 0.262 0.000 1.016 379 L CA -0.984 54.036 54.840 0.301 0.000 0.809 379 L CB 1.865 43.992 42.059 0.113 0.000 1.280 379 L HN 1.177 nan 8.230 nan 0.000 0.447 380 G N -0.546 108.388 108.800 0.224 0.000 2.046 380 G HA2 0.293 4.254 3.960 0.001 0.000 0.245 380 G HA3 0.293 4.254 3.960 0.001 0.000 0.245 380 G C -0.616 174.346 174.900 0.102 0.000 1.723 380 G CA -0.525 44.679 45.100 0.174 0.000 0.909 380 G HN 0.603 nan 8.290 nan 0.000 0.737 396 T N 1.678 116.364 114.554 0.219 0.000 2.701 396 T HA -0.191 4.160 4.350 0.001 0.000 0.269 396 T C 0.492 175.281 174.700 0.148 0.000 1.011 396 T CA 2.474 64.710 62.100 0.227 0.000 1.157 396 T CB 0.084 69.055 68.868 0.172 0.000 1.063 396 T HN 0.745 nan 8.240 nan 0.000 0.457 397 D N 0.876 121.356 120.400 0.133 0.000 2.010 397 D HA -0.147 4.493 4.640 0.001 0.000 0.171 397 D C 0.919 177.289 176.300 0.116 0.000 1.074 397 D CA 2.037 56.094 54.000 0.095 0.000 1.063 397 D CB -1.643 39.202 40.800 0.076 0.000 1.181 397 D HN 0.592 nan 8.370 nan 0.000 0.551 398 T N -1.026 113.626 114.554 0.162 0.000 2.990 398 T HA 0.327 4.678 4.350 0.001 0.000 0.250 398 T C -0.004 174.872 174.700 0.293 0.000 1.041 398 T CA 0.155 62.362 62.100 0.178 0.000 1.010 398 T CB 0.126 69.086 68.868 0.153 0.000 1.003 398 T HN 0.238 nan 8.240 nan 0.000 0.499 399 F N 2.187 122.202 119.950 0.109 0.000 2.427 399 F HA 0.616 5.144 4.527 0.001 0.000 0.348 399 F C -1.650 174.236 175.800 0.143 0.000 1.125 399 F CA -1.358 56.722 58.000 0.134 0.000 0.989 399 F CB 0.894 39.976 39.000 0.136 0.000 1.165 399 F HN -0.129 nan 8.300 nan 0.000 0.442 400 L N 7.137 128.296 121.223 -0.106 0.000 2.362 400 L HA 0.474 4.814 4.340 0.001 0.000 0.275 400 L C -1.297 175.407 176.870 -0.277 0.000 0.998 400 L CA -0.643 54.096 54.840 -0.170 0.000 0.820 400 L CB 1.991 44.051 42.059 0.002 0.000 1.270 400 L HN 0.560 nan 8.230 nan 0.000 0.415 401 F N 2.795 122.541 119.950 -0.341 0.000 2.493 401 F HA 0.503 5.030 4.527 0.001 0.000 0.329 401 F C -0.394 175.398 175.800 -0.013 0.000 1.126 401 F CA -0.328 57.549 58.000 -0.206 0.000 0.937 401 F CB 1.035 39.871 39.000 -0.274 0.000 1.146 401 F HN 0.463 nan 8.300 nan 0.000 0.442 402 H N 5.212 124.233 119.070 -0.081 0.000 2.637 402 H HA 0.333 4.889 4.556 0.001 0.000 0.363 402 H C -1.951 173.459 175.328 0.136 0.000 1.131 402 H CA -0.482 55.608 56.048 0.069 0.000 1.183 402 H CB 1.973 31.732 29.762 -0.006 0.000 1.637 402 H HN 0.706 nan 8.280 nan 0.000 0.531 403 Y N 3.739 124.139 120.300 0.167 0.000 2.409 403 Y HA 0.331 4.882 4.550 0.001 0.000 0.343 403 Y C -1.044 175.013 175.900 0.261 0.000 0.973 403 Y CA -0.694 57.549 58.100 0.239 0.000 1.064 403 Y CB 1.250 39.840 38.460 0.217 0.000 1.207 403 Y HN 0.561 nan 8.280 nan 0.000 0.452 404 N N 5.594 124.431 118.700 0.229 0.000 2.296 404 N HA 0.261 5.002 4.740 0.001 0.000 0.294 404 N C -1.896 173.724 175.510 0.184 0.000 1.033 404 N CA -0.417 52.774 53.050 0.236 0.000 0.839 404 N CB 1.849 40.411 38.487 0.124 0.000 1.395 404 N HN 0.639 nan 8.380 nan 0.000 0.479 405 F N 3.928 123.940 119.950 0.103 0.000 2.449 405 F HA 0.354 4.882 4.527 0.001 0.000 0.344 405 F C -2.028 173.740 175.800 -0.053 0.000 1.180 405 F CA -1.657 56.372 58.000 0.048 0.000 1.209 405 F CB 0.866 39.975 39.000 0.182 0.000 1.440 405 F HN 0.255 nan 8.300 nan 0.000 0.526 406 P HA 0.096 nan 4.420 nan 0.000 0.269 406 P C -2.282 174.780 177.300 -0.397 0.000 1.215 406 P CA -0.976 61.942 63.100 -0.304 0.000 0.780 406 P CB 0.680 32.090 31.700 -0.484 0.000 0.898 407 P HA -0.153 nan 4.420 nan 0.000 0.223 407 P C 1.314 178.564 177.300 -0.083 0.000 1.151 407 P CA 1.372 64.441 63.100 -0.050 0.000 0.787 407 P CB -0.402 31.327 31.700 0.047 0.000 0.788 408 Y N 0.266 120.540 120.300 -0.043 0.000 2.616 408 Y HA 0.076 4.626 4.550 0.001 0.000 0.296 408 Y C 2.128 177.980 175.900 -0.080 0.000 1.154 408 Y CA 0.564 58.636 58.100 -0.046 0.000 1.325 408 Y CB -1.791 36.645 38.460 -0.041 0.000 1.007 408 Y HN -0.037 nan 8.280 nan 0.000 0.542 409 S N -0.660 114.717 115.700 -0.539 0.000 2.481 409 S HA -0.032 4.438 4.470 0.001 0.000 0.231 409 S C 1.042 175.536 174.600 -0.176 0.000 0.996 409 S CA 0.813 58.750 58.200 -0.438 0.000 0.942 409 S CB -0.641 62.084 63.200 -0.793 0.000 0.768 409 S HN 0.248 nan 8.310 nan 0.000 0.520 410 V N 0.987 120.847 119.914 -0.089 0.000 3.070 410 V HA 0.524 4.645 4.120 0.001 0.000 0.345 410 V C 1.304 177.424 176.094 0.044 0.000 1.403 410 V CA -0.050 62.262 62.300 0.021 0.000 1.155 410 V CB -0.537 31.338 31.823 0.088 0.000 1.140 410 V HN 0.623 nan 8.190 nan 0.000 0.505 411 G N 1.172 110.003 108.800 0.052 0.000 2.249 411 G HA2 -0.254 3.707 3.960 0.001 0.000 0.273 411 G HA3 -0.254 3.707 3.960 0.001 0.000 0.273 411 G C -0.036 174.902 174.900 0.063 0.000 1.036 411 G CA 0.835 45.976 45.100 0.069 0.000 0.824 411 G HN 0.565 nan 8.290 nan 0.000 0.504 412 E N -0.991 119.249 120.200 0.066 0.000 2.355 412 E HA 0.727 5.077 4.350 0.001 0.000 0.261 412 E C 0.403 177.045 176.600 0.070 0.000 0.943 412 E CA -0.310 56.126 56.400 0.059 0.000 0.806 412 E CB 1.408 31.140 29.700 0.054 0.000 1.286 412 E HN 0.326 nan 8.360 nan 0.000 0.424 413 T N -1.873 112.714 114.554 0.056 0.000 2.950 413 T HA 0.879 5.229 4.350 0.001 0.000 0.288 413 T C 0.256 174.986 174.700 0.050 0.000 1.035 413 T CA -0.293 61.842 62.100 0.057 0.000 1.028 413 T CB 1.738 70.630 68.868 0.041 0.000 1.109 413 T HN 0.731 nan 8.240 nan 0.000 0.514 414 G N 0.698 109.528 108.800 0.051 0.000 2.359 414 G HA2 0.360 4.320 3.960 0.001 0.000 0.293 414 G HA3 0.360 4.320 3.960 0.001 0.000 0.293 414 G C -0.974 173.955 174.900 0.048 0.000 1.300 414 G CA -1.176 43.950 45.100 0.044 0.000 0.888 414 G HN 0.790 nan 8.290 nan 0.000 0.541 415 M N 0.678 120.304 119.600 0.042 0.000 2.252 415 M HA 0.355 4.835 4.480 0.001 0.000 0.333 415 M C 1.170 177.504 176.300 0.058 0.000 1.111 415 M CA -0.024 55.302 55.300 0.043 0.000 1.140 415 M CB 0.535 33.156 32.600 0.035 0.000 1.538 415 M HN 1.070 nan 8.290 nan 0.000 0.448 423 E N 1.267 121.261 120.200 -0.343 0.000 2.517 423 E HA -0.163 4.187 4.350 0.001 0.000 0.207 423 E C 1.340 177.770 176.600 -0.283 0.000 1.144 423 E CA 1.280 57.553 56.400 -0.210 0.000 0.920 423 E CB -0.205 29.663 29.700 0.281 0.000 0.867 423 E HN 0.556 nan 8.360 nan 0.000 0.580 424 I N 0.036 120.420 120.570 -0.310 0.000 3.039 424 I HA 0.066 4.237 4.170 0.001 0.000 0.270 424 I C 2.168 178.152 176.117 -0.222 0.000 1.150 424 I CA 0.700 61.867 61.300 -0.221 0.000 1.448 424 I CB 0.175 38.080 38.000 -0.157 0.000 1.197 424 I HN 0.166 nan 8.210 nan 0.000 0.450 425 G N -0.672 107.974 108.800 -0.256 0.000 2.430 425 G HA2 -0.162 3.798 3.960 0.001 0.000 0.216 425 G HA3 -0.162 3.798 3.960 0.001 0.000 0.216 425 G C 1.353 176.177 174.900 -0.126 0.000 1.146 425 G CA 0.532 45.534 45.100 -0.164 0.000 0.793 425 G HN 0.463 nan 8.290 nan 0.000 0.537 426 H N -0.002 118.803 119.070 -0.441 0.000 2.389 426 H HA -0.013 4.544 4.556 0.001 0.000 0.299 426 H C 2.890 177.908 175.328 -0.517 0.000 1.081 426 H CA 0.285 55.984 56.048 -0.581 0.000 1.345 426 H CB 0.187 29.285 29.762 -1.107 0.000 1.393 426 H HN 0.412 nan 8.280 nan 0.000 0.520 427 G N 0.889 109.476 108.800 -0.355 0.000 2.408 427 G HA2 -0.280 3.680 3.960 0.001 0.000 0.217 427 G HA3 -0.280 3.680 3.960 0.001 0.000 0.217 427 G C 1.806 176.618 174.900 -0.146 0.000 1.150 427 G CA 0.505 45.588 45.100 -0.027 0.000 0.776 427 G HN 0.191 nan 8.290 nan 0.000 0.542 428 R N 0.081 120.493 120.500 -0.146 0.000 2.092 428 R HA 0.068 4.408 4.340 0.001 0.000 0.231 428 R C 2.314 178.511 176.300 -0.171 0.000 1.119 428 R CA 0.953 56.968 56.100 -0.143 0.000 0.970 428 R CB -0.980 29.259 30.300 -0.102 0.000 0.864 428 R HN 0.334 nan 8.270 nan 0.000 0.440 429 L N 0.356 121.485 121.223 -0.157 0.000 1.994 429 L HA 0.047 4.388 4.340 0.001 0.000 0.208 429 L C 2.086 178.836 176.870 -0.199 0.000 1.071 429 L CA 2.411 57.167 54.840 -0.140 0.000 0.745 429 L CB -1.279 40.712 42.059 -0.113 0.000 0.892 429 L HN 0.236 nan 8.230 nan 0.000 0.431 430 A N -0.696 121.961 122.820 -0.273 0.000 1.978 430 A HA -0.287 4.033 4.320 0.001 0.000 0.220 430 A C 2.456 179.629 177.584 -0.686 0.000 1.170 430 A CA 2.081 53.873 52.037 -0.408 0.000 0.636 430 A CB -0.665 18.108 19.000 -0.379 0.000 0.810 430 A HN 0.577 nan 8.150 nan 0.000 0.448 431 K N -0.451 119.490 120.400 -0.766 0.000 2.062 431 K HA -0.078 4.243 4.320 0.001 0.000 0.205 431 K C 2.201 178.727 176.600 -0.123 0.000 1.051 431 K CA 1.007 56.978 56.287 -0.527 0.000 0.941 431 K CB -0.159 32.116 32.500 -0.376 0.000 0.719 431 K HN 0.444 nan 8.250 nan 0.000 0.440 432 R N -0.271 120.158 120.500 -0.119 0.000 2.096 432 R HA -0.063 4.278 4.340 0.001 0.000 0.235 432 R C 2.395 178.681 176.300 -0.022 0.000 1.127 432 R CA 1.244 57.324 56.100 -0.034 0.000 0.968 432 R CB -0.444 29.831 30.300 -0.042 0.000 0.861 432 R HN 0.342 nan 8.270 nan 0.000 0.440 433 G N 0.184 108.944 108.800 -0.066 0.000 2.470 433 G HA2 -0.156 3.804 3.960 0.001 0.000 0.220 433 G HA3 -0.156 3.804 3.960 0.001 0.000 0.220 433 G C 1.263 176.161 174.900 -0.004 0.000 1.121 433 G CA 0.661 45.735 45.100 -0.043 0.000 0.766 433 G HN 0.174 nan 8.290 nan 0.000 0.553 434 V N -0.054 119.885 119.914 0.041 0.000 3.379 434 V HA 0.181 4.301 4.120 0.001 0.000 0.249 434 V C 2.602 178.746 176.094 0.082 0.000 1.184 434 V CA 0.047 62.406 62.300 0.098 0.000 1.106 434 V CB 0.059 32.032 31.823 0.249 0.000 0.826 434 V HN 0.268 nan 8.190 nan 0.000 0.465 435 L N 1.076 122.384 121.223 0.141 0.000 2.034 435 L HA -0.310 4.031 4.340 0.001 0.000 0.217 435 L C 2.785 179.667 176.870 0.021 0.000 1.077 435 L CA 2.118 57.023 54.840 0.109 0.000 0.769 435 L CB -0.696 41.444 42.059 0.136 0.000 0.890 435 L HN 0.423 nan 8.230 nan 0.000 0.435 436 A N -0.757 122.073 122.820 0.017 0.000 1.948 436 A HA -0.170 4.150 4.320 0.001 0.000 0.220 436 A C 2.184 179.756 177.584 -0.021 0.000 1.177 436 A CA 2.077 54.115 52.037 0.001 0.000 0.636 436 A CB -0.746 18.254 19.000 0.001 0.000 0.815 436 A HN 0.287 nan 8.150 nan 0.000 0.449 437 V N 0.311 120.203 119.914 -0.037 0.000 2.951 437 V HA -0.043 4.077 4.120 0.001 0.000 0.255 437 V C 1.147 177.182 176.094 -0.098 0.000 1.088 437 V CA 0.328 62.592 62.300 -0.060 0.000 1.109 437 V CB -0.801 30.988 31.823 -0.058 0.000 0.724 437 V HN 0.469 nan 8.190 nan 0.000 0.471 438 M N 2.169 121.687 119.600 -0.136 0.000 2.250 438 M HA 0.162 4.643 4.480 0.001 0.000 0.337 438 M C -2.000 174.238 176.300 -0.103 0.000 1.161 438 M CA -1.588 53.599 55.300 -0.189 0.000 1.088 438 M CB -0.293 32.134 32.600 -0.289 0.000 1.639 438 M HN 0.057 nan 8.290 nan 0.000 0.447 439 P HA 0.054 nan 4.420 nan 0.000 0.270 439 P C -0.475 176.844 177.300 0.031 0.000 1.223 439 P CA -0.163 62.924 63.100 -0.022 0.000 0.785 439 P CB 0.429 32.123 31.700 -0.011 0.000 0.923 440 D N 1.197 121.622 120.400 0.043 0.000 2.403 440 D HA 0.012 4.652 4.640 0.001 0.000 0.260 440 D C 1.371 177.713 176.300 0.069 0.000 1.243 440 D CA 0.321 54.350 54.000 0.048 0.000 0.918 440 D CB -0.632 40.190 40.800 0.037 0.000 0.939 440 D HN 0.239 nan 8.370 nan 0.000 0.507 441 M N -0.738 118.924 119.600 0.103 0.000 2.822 441 M HA -0.383 4.098 4.480 0.001 0.000 0.153 441 M C 0.285 176.636 176.300 0.084 0.000 0.689 441 M CA 1.945 57.308 55.300 0.104 0.000 0.586 441 M CB -0.957 31.684 32.600 0.068 0.000 2.147 441 M HN 0.084 nan 8.290 nan 0.000 0.262 442 D N -0.809 119.632 120.400 0.069 0.000 2.249 442 D HA 0.028 4.668 4.640 0.001 0.000 0.205 442 D C 1.728 178.077 176.300 0.081 0.000 0.962 442 D CA 1.361 55.391 54.000 0.051 0.000 0.860 442 D CB -0.151 40.670 40.800 0.035 0.000 0.955 442 D HN 0.623 nan 8.370 nan 0.000 0.505 443 K N -0.485 119.983 120.400 0.114 0.000 2.228 443 K HA 0.006 4.327 4.320 0.001 0.000 0.202 443 K C -0.406 176.364 176.600 0.282 0.000 1.051 443 K CA 0.484 56.857 56.287 0.143 0.000 0.960 443 K CB 0.284 32.845 32.500 0.102 0.000 0.743 443 K HN 0.139 nan 8.250 nan 0.000 0.458 444 F N 2.200 122.198 119.950 0.081 0.000 3.094 444 F HA 0.278 4.805 4.527 0.001 0.000 0.385 444 F C -2.462 173.461 175.800 0.205 0.000 1.231 444 F CA -2.104 55.997 58.000 0.169 0.000 1.207 444 F CB 1.792 40.857 39.000 0.109 0.000 1.703 444 F HN -0.099 nan 8.300 nan 0.000 0.610 445 P HA 0.066 nan 4.420 nan 0.000 0.232 445 P C -1.587 175.303 177.300 -0.684 0.000 1.738 445 P CA 0.430 63.345 63.100 -0.308 0.000 0.948 445 P CB -0.553 30.934 31.700 -0.354 0.000 1.943 446 Y N -0.950 119.138 120.300 -0.353 0.000 2.401 446 Y HA 0.223 4.774 4.550 0.001 0.000 0.330 446 Y C 0.866 176.730 175.900 -0.061 0.000 1.071 446 Y CA -0.963 56.964 58.100 -0.288 0.000 1.049 446 Y CB 1.275 39.404 38.460 -0.553 0.000 1.239 446 Y HN -0.112 nan 8.280 nan 0.000 0.437 447 T N 0.141 114.775 114.554 0.133 0.000 2.901 447 T HA 0.571 4.922 4.350 0.001 0.000 0.301 447 T C -0.306 174.542 174.700 0.246 0.000 1.012 447 T CA -0.455 61.753 62.100 0.180 0.000 1.135 447 T CB 0.485 69.433 68.868 0.133 0.000 0.936 447 T HN 0.351 nan 8.240 nan 0.000 0.539 448 V N 3.768 123.874 119.914 0.320 0.000 2.628 448 V HA 0.666 4.786 4.120 0.001 0.000 0.306 448 V C 0.162 176.490 176.094 0.391 0.000 1.045 448 V CA -1.109 61.404 62.300 0.354 0.000 0.905 448 V CB 1.748 33.788 31.823 0.362 0.000 0.997 448 V HN 1.018 nan 8.190 nan 0.000 0.436 449 R N 2.743 123.399 120.500 0.260 0.000 2.513 449 R HA 0.757 5.098 4.340 0.001 0.000 0.301 449 R C -1.913 174.430 176.300 0.071 0.000 0.968 449 R CA -0.363 55.825 56.100 0.147 0.000 0.872 449 R CB 2.048 32.392 30.300 0.074 0.000 1.177 449 R HN 0.555 nan 8.270 nan 0.000 0.444 450 V N 4.947 124.835 119.914 -0.044 0.000 2.483 450 V HA 0.510 4.630 4.120 0.001 0.000 0.295 450 V C -0.549 175.282 176.094 -0.440 0.000 1.035 450 V CA -0.639 61.526 62.300 -0.224 0.000 0.896 450 V CB 1.937 33.599 31.823 -0.269 0.000 0.986 450 V HN 0.524 nan 8.190 nan 0.000 0.447 451 V N 3.374 123.097 119.914 -0.318 0.000 2.588 451 V HA 0.569 4.690 4.120 0.001 0.000 0.304 451 V C -0.202 175.756 176.094 -0.227 0.000 1.042 451 V CA -0.383 61.764 62.300 -0.256 0.000 0.877 451 V CB 2.159 33.891 31.823 -0.151 0.000 0.996 451 V HN 0.855 nan 8.190 nan 0.000 0.425 452 S N 3.833 119.416 115.700 -0.195 0.000 2.478 452 S HA 0.566 5.037 4.470 0.001 0.000 0.312 452 S C -0.805 173.697 174.600 -0.162 0.000 1.094 452 S CA -0.681 57.426 58.200 -0.155 0.000 1.081 452 S CB 1.115 64.240 63.200 -0.125 0.000 1.007 452 S HN 0.709 nan 8.310 nan 0.000 0.475 453 E N 4.466 124.591 120.200 -0.125 0.000 2.114 453 E HA 0.273 4.623 4.350 0.001 0.000 0.266 453 E C -0.530 175.980 176.600 -0.151 0.000 0.896 453 E CA -0.707 55.625 56.400 -0.113 0.000 0.750 453 E CB 1.019 30.691 29.700 -0.046 0.000 1.121 453 E HN 0.549 nan 8.360 nan 0.000 0.413 454 I N 3.863 124.290 120.570 -0.238 0.000 2.372 454 I HA -0.037 4.133 4.170 0.001 0.000 0.298 454 I C 1.801 177.722 176.117 -0.328 0.000 1.137 454 I CA 0.279 61.423 61.300 -0.260 0.000 1.314 454 I CB -0.521 37.303 38.000 -0.293 0.000 1.444 454 I HN 0.421 nan 8.210 nan 0.000 0.541 455 T N 2.140 116.599 114.554 -0.158 0.000 3.043 455 T HA 0.153 4.504 4.350 0.001 0.000 0.263 455 T C 0.636 175.289 174.700 -0.079 0.000 1.094 455 T CA 0.420 62.485 62.100 -0.058 0.000 1.127 455 T CB 0.387 69.299 68.868 0.074 0.000 0.905 455 T HN 0.537 nan 8.240 nan 0.000 0.490 456 E N -0.194 119.937 120.200 -0.115 0.000 2.366 456 E HA 0.610 4.960 4.350 0.001 0.000 0.278 456 E C -1.726 174.832 176.600 -0.070 0.000 0.923 456 E CA -0.695 55.659 56.400 -0.076 0.000 0.761 456 E CB 2.450 32.143 29.700 -0.012 0.000 1.231 456 E HN 0.073 nan 8.360 nan 0.000 0.443 457 S N 1.627 117.313 115.700 -0.025 0.000 2.603 457 S HA 0.499 4.969 4.470 0.001 0.000 0.274 457 S C -1.392 173.277 174.600 0.114 0.000 1.168 457 S CA -0.524 57.725 58.200 0.082 0.000 0.963 457 S CB 0.757 64.061 63.200 0.174 0.000 1.078 457 S HN 0.556 nan 8.310 nan 0.000 0.477 458 N N 2.620 121.391 118.700 0.119 0.000 2.425 458 N HA 0.254 4.994 4.740 0.001 0.000 0.237 458 N C 0.042 175.609 175.510 0.095 0.000 1.406 458 N CA 0.745 53.858 53.050 0.106 0.000 1.198 458 N CB 0.297 38.834 38.487 0.084 0.000 1.331 458 N HN 0.720 nan 8.380 nan 0.000 0.550 459 G N -0.754 108.107 108.800 0.102 0.000 3.432 459 G HA2 0.317 4.278 3.960 0.001 0.000 0.124 459 G HA3 0.317 4.278 3.960 0.001 0.000 0.124 459 G C -1.157 173.785 174.900 0.070 0.000 1.237 459 G CA 0.353 45.499 45.100 0.077 0.000 1.347 459 G HN 0.439 nan 8.290 nan 0.000 0.654 460 S N 0.283 116.032 115.700 0.082 0.000 2.397 460 S HA 0.477 4.948 4.470 0.001 0.000 0.190 460 S C 1.013 175.679 174.600 0.109 0.000 1.100 460 S CA 0.567 58.799 58.200 0.054 0.000 1.150 460 S CB 0.743 63.937 63.200 -0.009 0.000 1.302 460 S HN 0.500 nan 8.310 nan 0.000 0.417 461 S N 2.484 118.302 115.700 0.195 0.000 2.380 461 S HA -0.195 4.275 4.470 0.001 0.000 0.229 461 S C 2.281 177.062 174.600 0.302 0.000 1.043 461 S CA 2.047 60.427 58.200 0.300 0.000 1.038 461 S CB -0.537 63.009 63.200 0.576 0.000 0.872 461 S HN 1.020 nan 8.310 nan 0.000 0.456 462 S N 1.933 117.760 115.700 0.213 0.000 2.368 462 S HA -0.049 4.421 4.470 0.001 0.000 0.225 462 S C 1.833 176.501 174.600 0.112 0.000 1.030 462 S CA 1.189 59.509 58.200 0.200 0.000 0.999 462 S CB -0.463 62.645 63.200 -0.153 0.000 0.844 462 S HN 0.262 nan 8.310 nan 0.000 0.459 463 M N 1.837 121.464 119.600 0.045 0.000 2.254 463 M HA 0.230 4.711 4.480 0.001 0.000 0.265 463 M C 2.620 178.942 176.300 0.037 0.000 1.066 463 M CA 1.256 56.567 55.300 0.019 0.000 1.123 463 M CB -1.858 30.743 32.600 0.002 0.000 1.388 463 M HN 0.547 nan 8.290 nan 0.000 0.425 464 A N 0.504 123.405 122.820 0.134 0.000 1.930 464 A HA -0.109 4.211 4.320 0.001 0.000 0.217 464 A C 2.345 179.989 177.584 0.099 0.000 1.175 464 A CA 2.066 54.237 52.037 0.223 0.000 0.627 464 A CB -0.824 18.387 19.000 0.353 0.000 0.815 464 A HN 0.593 nan 8.150 nan 0.000 0.443 465 S N -0.732 115.056 115.700 0.148 0.000 2.515 465 S HA -0.007 4.463 4.470 0.001 0.000 0.231 465 S C 1.563 176.281 174.600 0.196 0.000 0.987 465 S CA 1.029 59.340 58.200 0.184 0.000 0.936 465 S CB -0.350 63.013 63.200 0.271 0.000 0.766 465 S HN 0.194 nan 8.310 nan 0.000 0.528 466 V N 1.137 121.091 119.914 0.068 0.000 2.407 466 V HA -0.134 3.987 4.120 0.001 0.000 0.245 466 V C 2.781 178.830 176.094 -0.075 0.000 1.041 466 V CA 1.513 63.826 62.300 0.021 0.000 1.040 466 V CB -0.966 30.832 31.823 -0.042 0.000 0.671 466 V HN 0.669 nan 8.190 nan 0.000 0.455 467 C N 0.741 119.867 119.300 -0.289 0.000 2.432 467 C HA -0.053 4.408 4.460 0.001 0.000 0.277 467 C C 2.932 177.714 174.990 -0.347 0.000 1.249 467 C CA 0.789 59.480 59.018 -0.544 0.000 1.725 467 C CB -1.686 25.159 27.740 -1.490 0.000 2.028 467 C HN 0.657 nan 8.230 nan 0.000 0.477 468 G N 0.491 109.161 108.800 -0.218 0.000 2.418 468 G HA2 -0.052 3.908 3.960 0.001 0.000 0.217 468 G HA3 -0.052 3.908 3.960 0.001 0.000 0.217 468 G C 1.885 176.805 174.900 0.033 0.000 1.158 468 G CA 1.121 46.220 45.100 -0.001 0.000 0.771 468 G HN 0.626 nan 8.290 nan 0.000 0.545 469 A N 0.663 123.537 122.820 0.089 0.000 1.883 469 A HA -0.066 4.255 4.320 0.001 0.000 0.217 469 A C 2.643 180.285 177.584 0.097 0.000 1.186 469 A CA 2.426 54.558 52.037 0.158 0.000 0.624 469 A CB -0.987 18.255 19.000 0.403 0.000 0.822 469 A HN 0.467 nan 8.150 nan 0.000 0.444 470 S N -0.302 115.424 115.700 0.044 0.000 2.359 470 S HA -0.186 4.285 4.470 0.001 0.000 0.222 470 S C 1.975 176.571 174.600 -0.007 0.000 1.038 470 S CA 1.780 59.980 58.200 0.001 0.000 1.051 470 S CB -0.608 62.564 63.200 -0.048 0.000 0.944 470 S HN 0.473 nan 8.310 nan 0.000 0.433 471 L N 1.275 122.491 121.223 -0.010 0.000 1.970 471 L HA -0.121 4.219 4.340 0.001 0.000 0.212 471 L C 3.051 179.929 176.870 0.014 0.000 1.071 471 L CA 1.481 56.325 54.840 0.006 0.000 0.751 471 L CB -0.954 41.123 42.059 0.030 0.000 0.889 471 L HN 0.457 nan 8.230 nan 0.000 0.432 472 A N 0.188 123.024 122.820 0.027 0.000 1.917 472 A HA -0.220 4.100 4.320 0.001 0.000 0.219 472 A C 2.273 179.872 177.584 0.025 0.000 1.182 472 A CA 1.887 53.942 52.037 0.029 0.000 0.633 472 A CB -0.918 18.101 19.000 0.032 0.000 0.819 472 A HN 0.394 nan 8.150 nan 0.000 0.448 473 L N -1.377 119.860 121.223 0.023 0.000 2.083 473 L HA -0.201 4.139 4.340 0.001 0.000 0.209 473 L C 2.882 179.725 176.870 -0.044 0.000 1.083 473 L CA 1.483 56.322 54.840 -0.001 0.000 0.752 473 L CB -0.440 41.611 42.059 -0.012 0.000 0.899 473 L HN 0.429 nan 8.230 nan 0.000 0.433 474 M N -0.718 118.858 119.600 -0.040 0.000 2.132 474 M HA -0.203 4.278 4.480 0.001 0.000 0.263 474 M C 1.871 178.150 176.300 -0.035 0.000 1.065 474 M CA 1.655 56.923 55.300 -0.053 0.000 1.122 474 M CB -0.508 32.068 32.600 -0.041 0.000 1.365 474 M HN 0.170 nan 8.290 nan 0.000 0.411 475 D N 0.540 120.934 120.400 -0.011 0.000 2.218 475 D HA -0.093 4.547 4.640 0.001 0.000 0.204 475 D C 1.632 177.936 176.300 0.006 0.000 0.976 475 D CA 1.383 55.384 54.000 0.001 0.000 0.853 475 D CB 0.207 41.016 40.800 0.015 0.000 0.939 475 D HN 0.292 nan 8.370 nan 0.000 0.481 476 A N -1.021 121.805 122.820 0.009 0.000 2.218 476 A HA 0.456 4.776 4.320 0.001 0.000 0.209 476 A C 1.845 179.421 177.584 -0.013 0.000 1.168 476 A CA 0.928 52.981 52.037 0.027 0.000 0.804 476 A CB -0.320 18.723 19.000 0.071 0.000 0.834 476 A HN 0.444 nan 8.150 nan 0.000 0.482 477 G N -1.416 107.352 108.800 -0.053 0.000 2.141 477 G HA2 -0.184 3.776 3.960 0.001 0.000 0.242 477 G HA3 -0.184 3.776 3.960 0.001 0.000 0.242 477 G C 0.099 174.868 174.900 -0.217 0.000 0.982 477 G CA 0.028 45.074 45.100 -0.090 0.000 0.662 477 G HN 0.788 nan 8.290 nan 0.000 0.527 478 V N 2.540 122.282 119.914 -0.287 0.000 2.439 478 V HA 0.297 4.418 4.120 0.001 0.000 0.271 478 V C -0.743 175.028 176.094 -0.538 0.000 1.040 478 V CA -0.626 61.286 62.300 -0.647 0.000 1.002 478 V CB 1.038 32.619 31.823 -0.404 0.000 1.000 478 V HN 0.284 nan 8.190 nan 0.000 0.477 479 P HA 0.059 nan 4.420 nan 0.000 0.235 479 P C 0.232 177.371 177.300 -0.268 0.000 1.670 479 P CA 0.046 62.933 63.100 -0.356 0.000 1.017 479 P CB -0.423 31.101 31.700 -0.293 0.000 1.945 480 I N -2.218 118.215 120.570 -0.230 0.000 2.692 480 I HA 0.104 4.275 4.170 0.001 0.000 0.284 480 I C 1.284 177.334 176.117 -0.111 0.000 1.159 480 I CA -0.485 60.716 61.300 -0.165 0.000 1.423 480 I CB 0.708 38.625 38.000 -0.138 0.000 1.380 480 I HN -0.110 nan 8.210 nan 0.000 0.580 481 K N 4.241 124.588 120.400 -0.087 0.000 2.074 481 K HA -0.012 4.309 4.320 0.001 0.000 0.209 481 K C 0.604 177.174 176.600 -0.051 0.000 1.048 481 K CA 1.808 58.059 56.287 -0.059 0.000 0.926 481 K CB -0.238 32.235 32.500 -0.045 0.000 0.713 481 K HN 0.883 nan 8.250 nan 0.000 0.444 482 A N -0.566 122.224 122.820 -0.051 0.000 2.597 482 A HA 0.603 4.924 4.320 0.001 0.000 0.292 482 A C -1.503 176.055 177.584 -0.042 0.000 1.057 482 A CA -0.537 51.475 52.037 -0.041 0.000 0.674 482 A CB 0.775 19.757 19.000 -0.030 0.000 1.278 482 A HN 0.120 nan 8.150 nan 0.000 0.416 483 A N -0.235 122.563 122.820 -0.037 0.000 2.466 483 A HA 0.547 4.868 4.320 0.001 0.000 0.238 483 A C 0.207 177.769 177.584 -0.038 0.000 1.074 483 A CA 0.528 52.542 52.037 -0.039 0.000 0.774 483 A CB 0.283 19.262 19.000 -0.034 0.000 1.015 483 A HN 2.271 nan 8.150 nan 0.000 0.498 484 V N 0.416 120.304 119.914 -0.045 0.000 2.925 484 V HA 0.815 4.936 4.120 0.001 0.000 0.311 484 V C -0.163 175.888 176.094 -0.072 0.000 1.104 484 V CA 0.262 62.535 62.300 -0.044 0.000 0.954 484 V CB 1.826 33.631 31.823 -0.030 0.000 1.022 484 V HN 1.874 nan 8.190 nan 0.000 0.427 485 A N 3.650 126.428 122.820 -0.069 0.000 2.527 485 A HA 1.025 5.345 4.320 0.001 0.000 0.293 485 A C -0.254 177.288 177.584 -0.070 0.000 1.117 485 A CA -0.196 51.779 52.037 -0.103 0.000 0.723 485 A CB 1.989 20.939 19.000 -0.083 0.000 1.313 485 A HN 1.774 nan 8.150 nan 0.000 0.411 486 G N -0.682 108.070 108.800 -0.081 0.000 2.519 486 G HA2 0.656 4.616 3.960 0.001 0.000 0.307 486 G HA3 0.656 4.616 3.960 0.001 0.000 0.307 486 G C -1.629 173.259 174.900 -0.020 0.000 1.266 486 G CA -0.409 44.663 45.100 -0.047 0.000 0.970 486 G HN 1.116 nan 8.290 nan 0.000 0.481 487 I N 0.331 120.880 120.570 -0.035 0.000 2.722 487 I HA 0.768 4.938 4.170 0.001 0.000 0.295 487 I C -0.406 175.636 176.117 -0.124 0.000 1.161 487 I CA -0.954 60.319 61.300 -0.045 0.000 1.032 487 I CB 2.197 40.175 38.000 -0.037 0.000 1.244 487 I HN 0.762 nan 8.210 nan 0.000 0.421 488 A N 8.262 131.005 122.820 -0.129 0.000 2.273 488 A HA 0.830 5.150 4.320 0.001 0.000 0.315 488 A C -0.613 176.807 177.584 -0.273 0.000 1.256 488 A CA -0.631 51.285 52.037 -0.200 0.000 0.851 488 A CB 0.500 19.433 19.000 -0.112 0.000 1.172 488 A HN 0.626 nan 8.150 nan 0.000 0.508 489 M N 1.636 120.910 119.600 -0.544 0.000 2.762 489 M HA 0.714 5.194 4.480 0.001 0.000 0.306 489 M C 0.340 176.440 176.300 -0.333 0.000 1.223 489 M CA -0.430 54.532 55.300 -0.563 0.000 0.896 489 M CB 1.519 33.452 32.600 -1.112 0.000 1.684 489 M HN 0.749 nan 8.290 nan 0.000 0.491 490 G N 0.894 109.655 108.800 -0.067 0.000 2.659 490 G HA2 0.665 4.626 3.960 0.001 0.000 0.296 490 G HA3 0.665 4.626 3.960 0.001 0.000 0.296 490 G C -2.197 172.816 174.900 0.188 0.000 1.369 490 G CA -0.398 44.753 45.100 0.084 0.000 0.937 490 G HN 0.536 nan 8.290 nan 0.000 0.485 491 L N 2.422 123.755 121.223 0.183 0.000 2.406 491 L HA 0.751 5.092 4.340 0.001 0.000 0.272 491 L C -1.080 175.840 176.870 0.083 0.000 0.980 491 L CA -0.940 53.992 54.840 0.154 0.000 0.831 491 L CB 1.226 43.355 42.059 0.116 0.000 1.253 491 L HN 0.434 nan 8.230 nan 0.000 0.406 492 V N 6.400 126.362 119.914 0.081 0.000 2.459 492 V HA 0.613 4.733 4.120 0.001 0.000 0.295 492 V C -0.642 175.499 176.094 0.078 0.000 1.029 492 V CA -0.459 61.866 62.300 0.041 0.000 0.874 492 V CB 1.954 33.776 31.823 -0.001 0.000 0.985 492 V HN 0.944 nan 8.190 nan 0.000 0.438 493 K N 4.545 124.977 120.400 0.053 0.000 2.469 493 K HA 0.614 4.935 4.320 0.001 0.000 0.254 493 K C -1.281 175.344 176.600 0.042 0.000 0.939 493 K CA -0.633 55.698 56.287 0.074 0.000 0.812 493 K CB 1.952 34.481 32.500 0.048 0.000 1.301 493 K HN 0.787 nan 8.250 nan 0.000 0.433 494 E N 2.637 122.867 120.200 0.050 0.000 2.432 494 E HA 0.274 4.624 4.350 0.001 0.000 0.272 494 E C -0.029 176.591 176.600 0.033 0.000 0.937 494 E CA 0.204 56.622 56.400 0.029 0.000 0.812 494 E CB 0.910 30.622 29.700 0.020 0.000 1.377 494 E HN 0.901 nan 8.360 nan 0.000 0.399 495 G N 4.856 113.671 108.800 0.024 0.000 2.601 495 G HA2 -0.406 3.555 3.960 0.001 0.000 0.306 495 G HA3 -0.406 3.555 3.960 0.001 0.000 0.306 495 G C 0.518 175.442 174.900 0.041 0.000 1.172 495 G CA 0.828 45.941 45.100 0.023 0.000 0.966 495 G HN 0.608 nan 8.290 nan 0.000 0.542 496 D N 0.784 121.214 120.400 0.051 0.000 2.423 496 D HA 0.209 4.850 4.640 0.001 0.000 0.208 496 D C 0.821 177.195 176.300 0.123 0.000 1.068 496 D CA 0.260 54.310 54.000 0.084 0.000 0.860 496 D CB 0.163 40.998 40.800 0.057 0.000 0.992 496 D HN 0.308 nan 8.370 nan 0.000 0.504 497 N N 1.135 119.878 118.700 0.072 0.000 2.405 497 N HA 0.101 4.842 4.740 0.001 0.000 0.260 497 N C -1.287 174.281 175.510 0.096 0.000 1.152 497 N CA -0.283 52.787 53.050 0.034 0.000 0.948 497 N CB -0.023 38.465 38.487 0.002 0.000 1.111 497 N HN 0.077 nan 8.380 nan 0.000 0.485 498 Y N 1.246 121.540 120.300 -0.009 0.000 2.536 498 Y HA 0.787 5.338 4.550 0.001 0.000 0.347 498 Y C -1.389 174.509 175.900 -0.003 0.000 1.000 498 Y CA -1.243 56.852 58.100 -0.009 0.000 1.051 498 Y CB 1.002 39.455 38.460 -0.012 0.000 1.259 498 Y HN 0.052 nan 8.280 nan 0.000 0.468 499 V N 3.670 123.665 119.914 0.135 0.000 2.638 499 V HA 0.465 4.585 4.120 0.001 0.000 0.306 499 V C -0.763 175.424 176.094 0.154 0.000 1.052 499 V CA -0.973 61.358 62.300 0.051 0.000 0.885 499 V CB 1.726 33.553 31.823 0.008 0.000 0.999 499 V HN 0.792 nan 8.190 nan 0.000 0.424 500 V N 5.954 125.957 119.914 0.149 0.000 2.465 500 V HA 0.482 4.603 4.120 0.001 0.000 0.279 500 V C -0.159 175.998 176.094 0.105 0.000 1.045 500 V CA -0.384 62.023 62.300 0.178 0.000 0.938 500 V CB 1.482 33.432 31.823 0.212 0.000 0.986 500 V HN 0.623 nan 8.190 nan 0.000 0.467 501 L N 3.675 124.954 121.223 0.093 0.000 2.329 501 L HA 0.534 4.874 4.340 0.001 0.000 0.279 501 L C 0.173 177.048 176.870 0.008 0.000 1.014 501 L CA -0.062 54.801 54.840 0.039 0.000 0.814 501 L CB 2.050 44.122 42.059 0.021 0.000 1.257 501 L HN 0.570 nan 8.230 nan 0.000 0.424 502 S N 1.184 116.883 115.700 -0.003 0.000 2.489 502 S HA 0.224 4.695 4.470 0.001 0.000 0.291 502 S C -0.313 174.273 174.600 -0.023 0.000 1.151 502 S CA -0.309 57.877 58.200 -0.025 0.000 1.082 502 S CB 1.065 64.258 63.200 -0.011 0.000 1.019 502 S HN 0.758 nan 8.310 nan 0.000 0.492 503 D N 2.051 122.428 120.400 -0.038 0.000 2.828 503 D HA -0.181 4.460 4.640 0.001 0.000 0.241 503 D C -0.017 176.281 176.300 -0.004 0.000 1.142 503 D CA 0.287 54.281 54.000 -0.011 0.000 0.755 503 D CB -1.549 39.262 40.800 0.020 0.000 1.014 503 D HN 0.603 nan 8.370 nan 0.000 0.420 504 I N -1.578 118.979 120.570 -0.022 0.000 2.815 504 I HA 0.044 4.214 4.170 0.001 0.000 0.291 504 I C 1.333 177.466 176.117 0.027 0.000 1.209 504 I CA -0.428 60.872 61.300 -0.000 0.000 1.431 504 I CB 0.228 38.221 38.000 -0.013 0.000 1.351 504 I HN 0.055 nan 8.210 nan 0.000 0.585 505 L N 4.351 125.603 121.223 0.048 0.000 2.468 505 L HA 0.304 4.644 4.340 0.001 0.000 0.254 505 L C 1.827 178.747 176.870 0.083 0.000 1.171 505 L CA 0.013 54.895 54.840 0.070 0.000 0.809 505 L CB 0.651 42.761 42.059 0.086 0.000 1.155 505 L HN 0.890 nan 8.230 nan 0.000 0.473 506 G N -0.078 108.780 108.800 0.097 0.000 2.421 506 G HA2 -0.214 3.746 3.960 0.001 0.000 0.216 506 G HA3 -0.214 3.746 3.960 0.001 0.000 0.216 506 G C 0.696 175.668 174.900 0.120 0.000 1.171 506 G CA 0.621 45.785 45.100 0.107 0.000 0.775 506 G HN 0.836 nan 8.290 nan 0.000 0.543 507 D N 0.119 120.598 120.400 0.132 0.000 2.519 507 D HA 0.101 4.741 4.640 0.001 0.000 0.238 507 D C 0.944 177.379 176.300 0.225 0.000 1.192 507 D CA -0.022 54.076 54.000 0.163 0.000 0.835 507 D CB 0.131 41.020 40.800 0.149 0.000 0.975 507 D HN 0.415 nan 8.370 nan 0.000 0.490 508 E N -0.262 120.047 120.200 0.181 0.000 2.562 508 E HA -0.039 4.312 4.350 0.001 0.000 0.214 508 E C 0.894 177.542 176.600 0.080 0.000 0.979 508 E CA -0.178 56.301 56.400 0.131 0.000 1.002 508 E CB 0.443 30.177 29.700 0.056 0.000 1.048 508 E HN 0.176 nan 8.360 nan 0.000 0.488 509 D N 1.747 122.234 120.400 0.146 0.000 2.221 509 D HA -0.204 4.437 4.640 0.001 0.000 0.204 509 D C 1.705 178.073 176.300 0.113 0.000 0.982 509 D CA 1.024 55.090 54.000 0.110 0.000 0.857 509 D CB 0.171 41.042 40.800 0.118 0.000 0.934 509 D HN 0.432 nan 8.370 nan 0.000 0.475 510 H N 0.097 119.184 119.070 0.028 0.000 2.524 510 H HA -0.012 4.545 4.556 0.001 0.000 0.282 510 H C 2.036 177.372 175.328 0.013 0.000 1.016 510 H CA 0.278 56.333 56.048 0.013 0.000 1.270 510 H CB -0.592 29.160 29.762 -0.016 0.000 1.394 510 H HN 0.248 nan 8.280 nan 0.000 0.568 511 L N 0.791 121.757 121.223 -0.428 0.000 2.558 511 L HA 0.208 4.549 4.340 0.001 0.000 0.225 511 L C 1.598 178.406 176.870 -0.103 0.000 1.128 511 L CA 0.296 54.943 54.840 -0.322 0.000 0.868 511 L CB 0.198 42.049 42.059 -0.346 0.000 1.006 511 L HN 0.273 nan 8.230 nan 0.000 0.454 512 G N -0.265 108.508 108.800 -0.045 0.000 3.213 512 G HA2 -0.002 3.959 3.960 0.001 0.000 0.263 512 G HA3 -0.002 3.959 3.960 0.001 0.000 0.263 512 G C 0.260 175.176 174.900 0.026 0.000 0.829 512 G CA -0.339 44.769 45.100 0.014 0.000 1.983 512 G HN 0.113 nan 8.290 nan 0.000 0.616 513 D N 0.584 120.993 120.400 0.016 0.000 2.263 513 D HA -0.065 4.576 4.640 0.001 0.000 0.208 513 D C 1.060 177.368 176.300 0.013 0.000 0.971 513 D CA 1.031 55.037 54.000 0.011 0.000 0.867 513 D CB 0.209 41.010 40.800 0.001 0.000 0.929 513 D HN 0.519 nan 8.370 nan 0.000 0.492 514 M N 1.188 120.811 119.600 0.038 0.000 2.238 514 M HA 0.137 4.618 4.480 0.001 0.000 0.278 514 M C -2.321 174.080 176.300 0.169 0.000 1.040 514 M CA -0.668 54.668 55.300 0.061 0.000 0.969 514 M CB 2.247 34.846 32.600 -0.002 0.000 1.694 514 M HN -0.215 nan 8.290 nan 0.000 0.472 515 D N 5.196 125.704 120.400 0.181 0.000 2.646 515 D HA 0.641 5.282 4.640 0.001 0.000 0.245 515 D C -1.413 175.057 176.300 0.285 0.000 1.099 515 D CA -0.239 53.880 54.000 0.197 0.000 0.849 515 D CB 1.880 42.723 40.800 0.072 0.000 1.448 515 D HN 0.579 nan 8.370 nan 0.000 0.489 516 F N -1.136 118.803 119.950 -0.017 0.000 2.645 516 F HA 0.747 5.275 4.527 0.001 0.000 0.310 516 F C -1.439 174.350 175.800 -0.019 0.000 1.102 516 F CA -1.181 56.806 58.000 -0.023 0.000 0.952 516 F CB 1.633 40.617 39.000 -0.026 0.000 1.326 516 F HN 0.003 nan 8.300 nan 0.000 0.456 517 K N 1.419 121.804 120.400 -0.025 0.000 2.318 517 K HA 0.828 5.149 4.320 0.001 0.000 0.249 517 K C -1.574 175.023 176.600 -0.005 0.000 0.942 517 K CA -0.851 55.368 56.287 -0.113 0.000 0.808 517 K CB 2.589 35.040 32.500 -0.082 0.000 1.189 517 K HN 0.626 nan 8.250 nan 0.000 0.428 518 V N 0.593 120.485 119.914 -0.037 0.000 2.841 518 V HA 0.902 5.023 4.120 0.001 0.000 0.310 518 V C -1.210 174.877 176.094 -0.011 0.000 1.090 518 V CA -1.004 61.308 62.300 0.019 0.000 0.930 518 V CB 1.919 33.784 31.823 0.070 0.000 1.014 518 V HN 0.860 nan 8.190 nan 0.000 0.425 519 A N 2.035 124.852 122.820 -0.006 0.000 2.549 519 A HA 1.070 5.391 4.320 0.001 0.000 0.297 519 A C -0.179 177.399 177.584 -0.011 0.000 1.061 519 A CA 0.038 52.064 52.037 -0.018 0.000 0.690 519 A CB 2.133 21.114 19.000 -0.033 0.000 1.287 519 A HN 1.953 nan 8.150 nan 0.000 0.402 520 G N -0.337 108.454 108.800 -0.015 0.000 2.321 520 G HA2 0.639 4.599 3.960 0.001 0.000 0.296 520 G HA3 0.639 4.599 3.960 0.001 0.000 0.296 520 G C -0.224 174.667 174.900 -0.015 0.000 1.287 520 G CA 0.380 45.473 45.100 -0.012 0.000 0.846 520 G HN 1.823 nan 8.290 nan 0.000 0.508 521 S N -0.960 114.733 115.700 -0.013 0.000 2.623 521 S HA 0.522 4.992 4.470 0.001 0.000 0.287 521 S C 1.205 175.801 174.600 -0.007 0.000 1.123 521 S CA -0.434 57.758 58.200 -0.014 0.000 1.016 521 S CB 1.485 64.675 63.200 -0.017 0.000 1.233 521 S HN 0.643 nan 8.310 nan 0.000 0.512 522 R N 0.405 120.902 120.500 -0.006 0.000 2.189 522 R HA 0.045 4.386 4.340 0.001 0.000 0.218 522 R C 0.627 176.927 176.300 0.001 0.000 1.074 522 R CA 1.168 57.268 56.100 0.000 0.000 0.991 522 R CB -0.303 29.997 30.300 -0.000 0.000 0.883 522 R HN 0.646 nan 8.270 nan 0.000 0.457 523 D N -0.559 119.839 120.400 -0.004 0.000 2.350 523 D HA 0.114 4.755 4.640 0.001 0.000 0.213 523 D C 0.772 177.069 176.300 -0.005 0.000 1.031 523 D CA 0.582 54.580 54.000 -0.004 0.000 0.861 523 D CB 1.048 41.845 40.800 -0.006 0.000 0.926 523 D HN 0.274 nan 8.370 nan 0.000 0.520 524 G N 0.097 108.894 108.800 -0.005 0.000 2.322 524 G HA2 0.313 4.273 3.960 0.001 0.000 0.295 524 G HA3 0.313 4.273 3.960 0.001 0.000 0.295 524 G C -1.583 173.313 174.900 -0.007 0.000 1.369 524 G CA -0.907 44.188 45.100 -0.008 0.000 0.821 524 G HN -0.000 nan 8.290 nan 0.000 0.536 525 I N 1.658 122.223 120.570 -0.009 0.000 2.342 525 I HA 0.251 4.422 4.170 0.001 0.000 0.291 525 I C 1.488 177.600 176.117 -0.008 0.000 1.010 525 I CA -0.183 61.114 61.300 -0.004 0.000 1.308 525 I CB 1.916 39.916 38.000 0.000 0.000 1.400 525 I HN 0.636 nan 8.210 nan 0.000 0.488 526 S N 4.259 119.956 115.700 -0.005 0.000 2.497 526 S HA 0.423 4.894 4.470 0.001 0.000 0.221 526 S C 0.532 175.130 174.600 -0.004 0.000 1.037 526 S CA -0.079 58.118 58.200 -0.004 0.000 0.920 526 S CB 0.563 63.761 63.200 -0.004 0.000 0.800 526 S HN 0.680 nan 8.310 nan 0.000 0.505 527 A N 0.826 123.643 122.820 -0.006 0.000 2.517 527 A HA 0.738 5.058 4.320 0.001 0.000 0.297 527 A C -1.491 176.096 177.584 0.005 0.000 1.050 527 A CA -0.590 51.442 52.037 -0.007 0.000 0.694 527 A CB 1.437 20.422 19.000 -0.025 0.000 1.277 527 A HN 0.441 nan 8.150 nan 0.000 0.400 528 L N 2.008 123.239 121.223 0.013 0.000 2.476 528 L HA 0.566 4.907 4.340 0.001 0.000 0.269 528 L C -1.073 175.819 176.870 0.036 0.000 0.965 528 L CA -0.185 54.679 54.840 0.039 0.000 0.845 528 L CB 1.857 43.941 42.059 0.040 0.000 1.259 528 L HN 0.968 nan 8.230 nan 0.000 0.403 529 Q N 5.224 125.058 119.800 0.056 0.000 2.321 529 Q HA 0.652 4.992 4.340 0.001 0.000 0.270 529 Q C -1.730 174.329 176.000 0.098 0.000 1.032 529 Q CA -0.615 55.215 55.803 0.045 0.000 0.784 529 Q CB 2.398 31.143 28.738 0.012 0.000 1.264 529 Q HN 0.717 nan 8.270 nan 0.000 0.448 530 M N 2.231 121.871 119.600 0.066 0.000 2.572 530 M HA 0.505 4.986 4.480 0.001 0.000 0.299 530 M C -1.485 174.837 176.300 0.036 0.000 1.205 530 M CA -0.752 54.597 55.300 0.081 0.000 0.876 530 M CB 2.504 35.107 32.600 0.005 0.000 1.728 530 M HN 0.428 nan 8.290 nan 0.000 0.458 531 D N 2.798 123.226 120.400 0.047 0.000 2.375 531 D HA 0.413 5.054 4.640 0.001 0.000 0.241 531 D C -1.522 174.786 176.300 0.013 0.000 1.361 531 D CA -0.207 53.806 54.000 0.022 0.000 0.995 531 D CB 1.950 42.770 40.800 0.034 0.000 1.312 531 D HN 0.298 nan 8.370 nan 0.000 0.576 532 I N 2.235 122.791 120.570 -0.023 0.000 2.359 532 I HA 0.206 4.377 4.170 0.001 0.000 0.294 532 I C 1.401 177.500 176.117 -0.029 0.000 0.987 532 I CA -0.346 60.931 61.300 -0.039 0.000 1.225 532 I CB 1.494 39.443 38.000 -0.085 0.000 1.366 532 I HN 0.235 nan 8.210 nan 0.000 0.466 533 K N 6.121 126.511 120.400 -0.017 0.000 2.469 533 K HA 0.477 4.798 4.320 0.001 0.000 0.204 533 K C -0.098 176.489 176.600 -0.021 0.000 1.047 533 K CA -0.069 56.213 56.287 -0.009 0.000 1.072 533 K CB 1.070 33.580 32.500 0.017 0.000 0.863 533 K HN 0.527 nan 8.250 nan 0.000 0.530 534 I N 0.627 121.175 120.570 -0.037 0.000 3.042 534 I HA 0.316 4.487 4.170 0.001 0.000 0.310 534 I C -1.065 175.015 176.117 -0.061 0.000 1.117 534 I CA -1.022 60.254 61.300 -0.041 0.000 1.003 534 I CB 2.805 40.786 38.000 -0.032 0.000 1.228 534 I HN 0.132 nan 8.210 nan 0.000 0.443 535 E N 1.890 122.056 120.200 -0.058 0.000 2.267 535 E HA 0.582 4.933 4.350 0.001 0.000 0.258 535 E C 0.192 176.753 176.600 -0.066 0.000 1.074 535 E CA 0.518 56.879 56.400 -0.066 0.000 0.915 535 E CB 1.454 31.118 29.700 -0.060 0.000 1.186 535 E HN 0.885 nan 8.360 nan 0.000 0.439 536 G N 1.801 110.560 108.800 -0.068 0.000 2.742 536 G HA2 -0.283 3.677 3.960 0.001 0.000 0.255 536 G HA3 -0.283 3.677 3.960 0.001 0.000 0.255 536 G C 0.052 174.890 174.900 -0.103 0.000 1.322 536 G CA -0.330 44.728 45.100 -0.071 0.000 0.967 536 G HN 0.895 nan 8.290 nan 0.000 0.556 537 I N 2.044 122.530 120.570 -0.139 0.000 3.027 537 I HA -0.154 4.017 4.170 0.001 0.000 0.126 537 I C 1.044 177.054 176.117 -0.178 0.000 0.916 537 I CA 2.229 63.407 61.300 -0.203 0.000 2.774 537 I CB -1.457 36.426 38.000 -0.194 0.000 0.809 537 I HN 1.722 nan 8.210 nan 0.000 0.349 538 T N 4.180 118.628 114.554 -0.177 0.000 2.862 538 T HA 0.279 4.629 4.350 0.001 0.000 0.276 538 T C 1.202 175.822 174.700 -0.134 0.000 0.974 538 T CA -0.104 61.920 62.100 -0.127 0.000 0.966 538 T CB 1.896 70.710 68.868 -0.090 0.000 1.072 538 T HN 0.651 nan 8.240 nan 0.000 0.538 539 K N 0.388 120.734 120.400 -0.090 0.000 2.152 539 K HA -0.172 4.149 4.320 0.001 0.000 0.206 539 K C 1.616 178.169 176.600 -0.077 0.000 1.048 539 K CA 1.582 57.821 56.287 -0.080 0.000 0.933 539 K CB -0.251 32.225 32.500 -0.040 0.000 0.721 539 K HN 0.691 nan 8.250 nan 0.000 0.447 540 E N 1.074 121.235 120.200 -0.064 0.000 2.072 540 E HA -0.155 4.196 4.350 0.001 0.000 0.191 540 E C 2.283 178.843 176.600 -0.066 0.000 0.985 540 E CA 1.010 57.385 56.400 -0.042 0.000 0.801 540 E CB -0.461 29.229 29.700 -0.018 0.000 0.750 540 E HN 0.445 nan 8.360 nan 0.000 0.452 541 I N 0.482 120.964 120.570 -0.146 0.000 2.394 541 I HA -0.215 3.955 4.170 0.001 0.000 0.251 541 I C 2.543 178.519 176.117 -0.234 0.000 1.136 541 I CA 0.836 61.969 61.300 -0.277 0.000 1.425 541 I CB -0.190 37.474 38.000 -0.560 0.000 1.079 541 I HN 0.049 nan 8.210 nan 0.000 0.425 542 M N -0.142 119.332 119.600 -0.210 0.000 2.132 542 M HA -0.239 4.241 4.480 0.001 0.000 0.263 542 M C 2.387 178.597 176.300 -0.150 0.000 1.065 542 M CA 1.691 56.853 55.300 -0.231 0.000 1.122 542 M CB -0.242 32.229 32.600 -0.216 0.000 1.365 542 M HN 0.175 nan 8.290 nan 0.000 0.411 543 Q N -0.242 119.507 119.800 -0.085 0.000 2.096 543 Q HA -0.198 4.142 4.340 0.001 0.000 0.204 543 Q C 1.848 177.846 176.000 -0.002 0.000 0.982 543 Q CA 1.953 57.735 55.803 -0.034 0.000 0.850 543 Q CB -0.055 28.675 28.738 -0.013 0.000 0.901 543 Q HN 0.356 nan 8.270 nan 0.000 0.422 544 V N 0.782 120.706 119.914 0.017 0.000 2.261 544 V HA -0.304 3.817 4.120 0.001 0.000 0.246 544 V C 2.377 178.520 176.094 0.082 0.000 1.047 544 V CA 1.868 64.213 62.300 0.075 0.000 1.015 544 V CB -1.142 30.781 31.823 0.167 0.000 0.642 544 V HN 0.567 nan 8.190 nan 0.000 0.446 545 A N -0.276 122.571 122.820 0.045 0.000 1.873 545 A HA -0.241 4.079 4.320 0.001 0.000 0.218 545 A C 2.213 179.896 177.584 0.165 0.000 1.193 545 A CA 2.244 54.328 52.037 0.079 0.000 0.629 545 A CB -0.731 18.150 19.000 -0.198 0.000 0.826 545 A HN 0.503 nan 8.150 nan 0.000 0.447 546 L N -0.322 120.928 121.223 0.046 0.000 2.083 546 L HA -0.216 4.125 4.340 0.001 0.000 0.209 546 L C 2.637 179.581 176.870 0.124 0.000 1.083 546 L CA 1.582 56.498 54.840 0.127 0.000 0.752 546 L CB -0.686 41.393 42.059 0.033 0.000 0.899 546 L HN 0.615 nan 8.230 nan 0.000 0.433 547 N N 0.248 119.000 118.700 0.085 0.000 2.142 547 N HA -0.265 4.476 4.740 0.001 0.000 0.186 547 N C 1.930 177.490 175.510 0.083 0.000 1.023 547 N CA 1.431 54.524 53.050 0.072 0.000 0.852 547 N CB 0.078 38.598 38.487 0.055 0.000 0.998 547 N HN 0.430 nan 8.380 nan 0.000 0.424 548 Q N 0.187 120.049 119.800 0.103 0.000 2.167 548 Q HA -0.045 4.296 4.340 0.001 0.000 0.202 548 Q C 1.805 177.861 176.000 0.093 0.000 0.970 548 Q CA 1.352 57.211 55.803 0.093 0.000 0.855 548 Q CB -0.052 28.752 28.738 0.108 0.000 0.911 548 Q HN 0.412 nan 8.270 nan 0.000 0.438 549 A N 0.974 123.875 122.820 0.135 0.000 1.929 549 A HA -0.147 4.174 4.320 0.001 0.000 0.216 549 A C 1.991 179.620 177.584 0.075 0.000 1.176 549 A CA 1.354 53.451 52.037 0.100 0.000 0.628 549 A CB -0.420 18.687 19.000 0.180 0.000 0.816 549 A HN 0.368 nan 8.150 nan 0.000 0.444 550 K N -0.358 120.090 120.400 0.081 0.000 2.097 550 K HA -0.094 4.227 4.320 0.001 0.000 0.206 550 K C 2.013 178.648 176.600 0.058 0.000 1.049 550 K CA 1.323 57.646 56.287 0.060 0.000 0.933 550 K CB -0.502 32.030 32.500 0.053 0.000 0.717 550 K HN 0.369 nan 8.250 nan 0.000 0.442 551 G N 0.635 109.470 108.800 0.059 0.000 2.459 551 G HA2 -0.296 3.664 3.960 0.001 0.000 0.217 551 G HA3 -0.296 3.664 3.960 0.001 0.000 0.217 551 G C 1.593 176.540 174.900 0.079 0.000 1.183 551 G CA 1.037 46.173 45.100 0.059 0.000 0.776 551 G HN 0.442 nan 8.290 nan 0.000 0.552 552 A N 0.661 123.521 122.820 0.066 0.000 1.892 552 A HA -0.114 4.207 4.320 0.001 0.000 0.218 552 A C 2.324 179.981 177.584 0.121 0.000 1.188 552 A CA 2.114 54.202 52.037 0.085 0.000 0.631 552 A CB -0.566 18.460 19.000 0.045 0.000 0.822 552 A HN 0.394 nan 8.150 nan 0.000 0.447 553 R N -0.365 120.181 120.500 0.076 0.000 2.103 553 R HA -0.140 4.201 4.340 0.001 0.000 0.234 553 R C 2.120 178.460 176.300 0.067 0.000 1.132 553 R CA 1.969 58.104 56.100 0.058 0.000 0.925 553 R CB -0.559 29.762 30.300 0.035 0.000 0.842 553 R HN 0.523 nan 8.270 nan 0.000 0.430 554 L N -0.489 120.776 121.223 0.069 0.000 2.043 554 L HA -0.268 4.073 4.340 0.001 0.000 0.212 554 L C 2.678 179.598 176.870 0.083 0.000 1.075 554 L CA 1.922 56.799 54.840 0.062 0.000 0.752 554 L CB -0.791 41.305 42.059 0.061 0.000 0.891 554 L HN 0.460 nan 8.230 nan 0.000 0.432 555 H N 0.372 119.460 119.070 0.030 0.000 2.321 555 H HA -0.155 4.401 4.556 0.001 0.000 0.300 555 H C 2.156 177.514 175.328 0.049 0.000 1.087 555 H CA 1.889 57.958 56.048 0.035 0.000 1.319 555 H CB -0.044 29.738 29.762 0.035 0.000 1.379 555 H HN 0.218 nan 8.280 nan 0.000 0.501 556 I N -0.115 120.467 120.570 0.020 0.000 2.252 556 I HA -0.233 3.937 4.170 0.001 0.000 0.245 556 I C 2.233 178.340 176.117 -0.017 0.000 1.102 556 I CA 0.919 62.223 61.300 0.006 0.000 1.385 556 I CB -0.239 37.837 38.000 0.127 0.000 1.064 556 I HN 0.278 nan 8.210 nan 0.000 0.414 557 L N 0.519 121.735 121.223 -0.011 0.000 2.083 557 L HA -0.136 4.205 4.340 0.001 0.000 0.209 557 L C 2.706 179.557 176.870 -0.032 0.000 1.083 557 L CA 1.487 56.316 54.840 -0.018 0.000 0.752 557 L CB -1.110 40.943 42.059 -0.010 0.000 0.899 557 L HN 0.317 nan 8.230 nan 0.000 0.433 558 G N -0.296 108.471 108.800 -0.055 0.000 2.446 558 G HA2 -0.216 3.745 3.960 0.001 0.000 0.217 558 G HA3 -0.216 3.745 3.960 0.001 0.000 0.217 558 G C 1.552 176.408 174.900 -0.074 0.000 1.168 558 G CA 1.054 46.117 45.100 -0.061 0.000 0.771 558 G HN 0.222 nan 8.290 nan 0.000 0.551 559 V N 0.659 120.500 119.914 -0.123 0.000 2.427 559 V HA -0.130 3.991 4.120 0.001 0.000 0.248 559 V C 2.824 178.913 176.094 -0.009 0.000 1.051 559 V CA 1.885 64.136 62.300 -0.081 0.000 1.048 559 V CB -0.364 31.390 31.823 -0.114 0.000 0.666 559 V HN 0.349 nan 8.190 nan 0.000 0.456 560 M N -0.291 119.318 119.600 0.015 0.000 2.077 560 M HA -0.167 4.314 4.480 0.001 0.000 0.261 560 M C 2.250 178.559 176.300 0.014 0.000 1.070 560 M CA 1.884 57.209 55.300 0.041 0.000 1.125 560 M CB -0.499 32.118 32.600 0.028 0.000 1.339 560 M HN 0.329 nan 8.290 nan 0.000 0.409 561 E N -0.166 120.032 120.200 -0.003 0.000 2.267 561 E HA -0.276 4.074 4.350 0.001 0.000 0.197 561 E C 1.894 178.491 176.600 -0.005 0.000 0.998 561 E CA 1.040 57.435 56.400 -0.007 0.000 0.830 561 E CB -0.303 29.390 29.700 -0.012 0.000 0.751 561 E HN 0.602 nan 8.360 nan 0.000 0.491 562 Q N 0.427 120.224 119.800 -0.006 0.000 2.331 562 Q HA -0.020 4.320 4.340 0.001 0.000 0.203 562 Q C 1.973 177.974 176.000 0.001 0.000 0.944 562 Q CA 0.772 56.572 55.803 -0.005 0.000 0.892 562 Q CB 0.103 28.835 28.738 -0.011 0.000 0.983 562 Q HN 0.233 nan 8.270 nan 0.000 0.482 563 A N 1.550 124.375 122.820 0.009 0.000 1.832 563 A HA -0.034 4.287 4.320 0.001 0.000 0.214 563 A C 1.404 178.995 177.584 0.011 0.000 1.204 563 A CA 0.926 52.972 52.037 0.015 0.000 0.606 563 A CB -0.604 18.416 19.000 0.034 0.000 0.849 563 A HN 0.519 nan 8.150 nan 0.000 0.445 564 I N -0.393 120.184 120.570 0.011 0.000 2.280 564 I HA 0.116 4.287 4.170 0.001 0.000 0.287 564 I C -0.517 175.600 176.117 -0.001 0.000 1.121 564 I CA -0.868 60.434 61.300 0.004 0.000 1.798 564 I CB -1.388 36.612 38.000 0.001 0.000 1.489 564 I HN 0.133 nan 8.210 nan 0.000 0.805 565 N N 0.000 118.700 118.700 -0.001 0.000 1.763 565 N HA 0.000 4.741 4.740 0.001 0.000 0.220 565 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 565 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 565 N HN 0.000 nan 8.380 nan 0.000 0.667