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 2jdi_1_A DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAAF AQFGSDLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLGKI RTDGKISEES DAKLKEIVTN FLAGFEA 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.288 176.300 -0.021 0.000 2.045 24 D CA 0.000 53.994 54.000 -0.011 0.000 0.868 24 D CB 0.000 40.792 40.800 -0.014 0.000 0.688 25 L N 1.843 123.049 121.223 -0.028 0.000 2.627 25 L HA 0.266 4.605 4.340 -0.000 0.000 0.232 25 L C 1.783 178.606 176.870 -0.077 0.000 1.150 25 L CA 0.270 55.073 54.840 -0.061 0.000 0.917 25 L CB 0.232 42.241 42.059 -0.082 0.000 1.104 25 L HN 0.305 nan 8.230 nan 0.000 0.445 26 E N -0.066 120.102 120.200 -0.053 0.000 2.127 26 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 26 E C 1.167 177.736 176.600 -0.051 0.000 0.964 26 E CA 0.528 56.898 56.400 -0.051 0.000 0.832 26 E CB 0.454 30.132 29.700 -0.037 0.000 0.790 26 E HN 0.352 nan 8.360 nan 0.000 0.465 27 E N 0.282 120.454 120.200 -0.046 0.000 2.498 27 E HA 0.052 4.402 4.350 -0.000 0.000 0.203 27 E C 0.660 177.227 176.600 -0.055 0.000 1.013 27 E CA 0.360 56.732 56.400 -0.048 0.000 0.927 27 E CB 1.199 30.876 29.700 -0.038 0.000 1.012 27 E HN 0.193 nan 8.360 nan 0.000 0.482 28 T N -2.548 111.974 114.554 -0.055 0.000 2.812 28 T HA 0.787 5.137 4.350 -0.000 0.000 0.294 28 T C 0.143 174.807 174.700 -0.059 0.000 1.159 28 T CA -0.426 61.640 62.100 -0.057 0.000 1.008 28 T CB 2.530 71.375 68.868 -0.038 0.000 1.289 28 T HN 0.013 nan 8.240 nan 0.000 0.514 29 G N -0.098 108.673 108.800 -0.048 0.000 2.663 29 G HA2 0.672 4.632 3.960 -0.000 0.000 0.299 29 G HA3 0.672 4.632 3.960 -0.000 0.000 0.299 29 G C -1.861 173.053 174.900 0.024 0.000 1.372 29 G CA -1.112 43.973 45.100 -0.024 0.000 0.781 29 G HN 0.809 nan 8.290 nan 0.000 0.491 30 R N -0.640 119.910 120.500 0.084 0.000 2.686 30 R HA 0.555 4.895 4.340 -0.000 0.000 0.286 30 R C -0.825 175.544 176.300 0.116 0.000 0.969 30 R CA -0.798 55.361 56.100 0.099 0.000 0.898 30 R CB 2.714 33.077 30.300 0.106 0.000 1.183 30 R HN 0.319 nan 8.270 nan 0.000 0.456 31 V N 4.881 124.867 119.914 0.120 0.000 2.485 31 V HA -0.017 4.103 4.120 -0.000 0.000 0.287 31 V C 1.459 177.608 176.094 0.091 0.000 1.022 31 V CA 0.466 62.846 62.300 0.133 0.000 1.067 31 V CB 0.551 32.472 31.823 0.162 0.000 0.967 31 V HN 0.728 nan 8.190 nan 0.000 0.479 32 L N 3.814 125.088 121.223 0.086 0.000 2.168 32 L HA 0.138 4.478 4.340 -0.000 0.000 0.203 32 L C 0.942 177.836 176.870 0.040 0.000 1.078 32 L CA 0.884 55.757 54.840 0.054 0.000 0.780 32 L CB 0.146 42.239 42.059 0.058 0.000 0.939 32 L HN 0.847 nan 8.230 nan 0.000 0.451 33 S N -1.048 114.681 115.700 0.049 0.000 2.547 33 S HA 0.629 5.098 4.470 -0.000 0.000 0.270 33 S C -1.106 173.516 174.600 0.036 0.000 1.150 33 S CA -0.773 57.446 58.200 0.032 0.000 0.850 33 S CB 2.668 65.881 63.200 0.022 0.000 1.118 33 S HN 0.010 nan 8.310 nan 0.000 0.461 34 I N 0.493 121.071 120.570 0.014 0.000 2.610 34 I HA 0.850 5.020 4.170 -0.000 0.000 0.289 34 I C -0.473 175.634 176.117 -0.016 0.000 1.163 34 I CA 0.314 61.612 61.300 -0.003 0.000 1.044 34 I CB 1.519 39.502 38.000 -0.027 0.000 1.251 34 I HN 1.313 nan 8.210 nan 0.000 0.424 35 G N 4.589 113.377 108.800 -0.020 0.000 2.691 35 G HA2 0.415 4.375 3.960 -0.000 0.000 0.298 35 G HA3 0.415 4.375 3.960 -0.000 0.000 0.298 35 G C -1.224 173.659 174.900 -0.028 0.000 1.471 35 G CA -0.501 44.584 45.100 -0.024 0.000 0.912 35 G HN 0.683 nan 8.290 nan 0.000 0.553 36 D N -0.016 120.364 120.400 -0.033 0.000 2.751 36 D HA -0.205 4.435 4.640 -0.000 0.000 0.233 36 D C 1.585 177.861 176.300 -0.041 0.000 1.149 36 D CA 2.532 56.510 54.000 -0.036 0.000 0.682 36 D CB -1.132 39.647 40.800 -0.035 0.000 1.068 36 D HN 2.221 nan 8.370 nan 0.000 0.429 37 G N -0.783 107.990 108.800 -0.044 0.000 2.155 37 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.257 37 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.257 37 G C 0.196 175.084 174.900 -0.021 0.000 0.983 37 G CA 0.355 45.429 45.100 -0.043 0.000 0.676 37 G HN 0.506 nan 8.290 nan 0.000 0.528 38 I N 0.809 121.371 120.570 -0.014 0.000 2.389 38 I HA 0.659 4.829 4.170 -0.000 0.000 0.288 38 I C 0.477 176.616 176.117 0.036 0.000 0.999 38 I CA -1.038 60.272 61.300 0.017 0.000 1.129 38 I CB 1.239 39.240 38.000 0.002 0.000 1.288 38 I HN 0.292 nan 8.210 nan 0.000 0.444 39 A N 7.751 130.630 122.820 0.099 0.000 2.260 39 A HA 0.671 4.991 4.320 -0.000 0.000 0.314 39 A C -0.022 177.645 177.584 0.138 0.000 1.257 39 A CA -0.722 51.404 52.037 0.147 0.000 0.871 39 A CB 0.657 19.856 19.000 0.332 0.000 1.166 39 A HN 0.562 nan 8.150 nan 0.000 0.522 40 R N 2.012 122.572 120.500 0.100 0.000 2.221 40 R HA 0.440 4.779 4.340 -0.000 0.000 0.327 40 R C -0.981 175.379 176.300 0.100 0.000 1.033 40 R CA -0.311 55.839 56.100 0.084 0.000 0.887 40 R CB 1.020 31.356 30.300 0.059 0.000 1.057 40 R HN 0.434 nan 8.270 nan 0.000 0.455 41 V N 3.384 123.352 119.914 0.090 0.000 2.417 41 V HA 0.174 4.293 4.120 -0.000 0.000 0.291 41 V C 0.027 176.173 176.094 0.087 0.000 1.024 41 V CA -0.999 61.353 62.300 0.086 0.000 0.861 41 V CB 1.454 33.300 31.823 0.038 0.000 0.985 41 V HN 0.702 nan 8.190 nan 0.000 0.436 42 H N 3.120 122.200 119.070 0.016 0.000 2.582 42 H HA 0.647 5.203 4.556 -0.000 0.000 0.345 42 H C 0.602 175.929 175.328 -0.002 0.000 1.104 42 H CA 1.399 57.452 56.048 0.008 0.000 1.390 42 H CB 1.109 30.877 29.762 0.010 0.000 1.461 42 H HN 1.096 nan 8.280 nan 0.000 0.551 43 G N 2.949 111.370 108.800 -0.631 0.000 2.496 43 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.243 43 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.243 43 G C 0.033 174.814 174.900 -0.197 0.000 1.176 43 G CA -0.340 44.510 45.100 -0.417 0.000 0.940 43 G HN 1.244 nan 8.290 nan 0.000 0.573 44 L N -0.310 120.833 121.223 -0.133 0.000 3.742 44 L HA -0.225 4.115 4.340 -0.000 0.000 0.431 44 L C 2.259 179.079 176.870 -0.085 0.000 1.220 44 L CA 0.831 55.613 54.840 -0.096 0.000 0.863 44 L CB -0.730 41.276 42.059 -0.089 0.000 1.751 44 L HN 0.633 nan 8.230 nan 0.000 0.922 45 R N -0.066 120.380 120.500 -0.090 0.000 2.159 45 R HA -0.067 4.273 4.340 -0.000 0.000 0.237 45 R C 1.378 177.649 176.300 -0.049 0.000 1.131 45 R CA 1.252 57.309 56.100 -0.071 0.000 0.982 45 R CB -0.389 29.869 30.300 -0.069 0.000 0.868 45 R HN 0.547 nan 8.270 nan 0.000 0.453 46 N N 0.423 119.095 118.700 -0.047 0.000 2.270 46 N HA 0.003 4.742 4.740 -0.000 0.000 0.198 46 N C 0.035 175.524 175.510 -0.036 0.000 1.117 46 N CA 0.022 53.050 53.050 -0.037 0.000 0.845 46 N CB 0.341 38.808 38.487 -0.034 0.000 0.980 46 N HN 0.034 nan 8.380 nan 0.000 0.486 47 V N -0.790 119.098 119.914 -0.042 0.000 2.843 47 V HA 0.143 4.263 4.120 -0.000 0.000 0.305 47 V C 0.453 176.531 176.094 -0.026 0.000 1.065 47 V CA -0.623 61.654 62.300 -0.039 0.000 1.116 47 V CB 0.612 32.407 31.823 -0.046 0.000 0.968 47 V HN 0.053 nan 8.190 nan 0.000 0.487 48 Q N 2.279 122.066 119.800 -0.022 0.000 2.227 48 Q HA 0.652 4.992 4.340 -0.000 0.000 0.245 48 Q C 0.292 176.291 176.000 -0.003 0.000 0.926 48 Q CA -0.429 55.367 55.803 -0.011 0.000 0.895 48 Q CB 1.689 30.420 28.738 -0.011 0.000 1.230 48 Q HN 1.129 nan 8.270 nan 0.000 0.450 49 A N 2.113 124.938 122.820 0.008 0.000 2.546 49 A HA -0.012 4.308 4.320 -0.000 0.000 0.243 49 A C 0.179 177.778 177.584 0.025 0.000 1.063 49 A CA 0.442 52.491 52.037 0.021 0.000 0.757 49 A CB -0.276 18.742 19.000 0.030 0.000 0.991 49 A HN 0.979 nan 8.150 nan 0.000 0.503 50 E N -0.594 119.629 120.200 0.039 0.000 3.628 50 E HA -0.219 4.130 4.350 -0.000 0.000 0.309 50 E C 0.213 176.832 176.600 0.030 0.000 0.839 50 E CA 1.181 57.614 56.400 0.054 0.000 1.123 50 E CB -1.496 28.236 29.700 0.054 0.000 1.568 50 E HN 0.946 nan 8.360 nan 0.000 0.440 51 E N 0.803 121.007 120.200 0.006 0.000 2.373 51 E HA 0.137 4.487 4.350 -0.000 0.000 0.267 51 E C -0.008 176.569 176.600 -0.038 0.000 1.032 51 E CA -0.204 56.183 56.400 -0.021 0.000 0.889 51 E CB 0.602 30.284 29.700 -0.031 0.000 0.984 51 E HN -0.002 nan 8.360 nan 0.000 0.425 52 M N 4.950 124.507 119.600 -0.072 0.000 2.120 52 M HA 0.152 4.632 4.480 -0.000 0.000 0.354 52 M C -0.282 175.940 176.300 -0.130 0.000 1.287 52 M CA -0.411 54.812 55.300 -0.128 0.000 1.103 52 M CB 0.729 33.216 32.600 -0.189 0.000 1.623 52 M HN 0.435 nan 8.290 nan 0.000 0.471 53 V N 1.545 121.368 119.914 -0.153 0.000 3.096 53 V HA 0.694 4.814 4.120 -0.000 0.000 0.319 53 V C -0.594 175.362 176.094 -0.230 0.000 1.103 53 V CA -0.886 61.297 62.300 -0.194 0.000 1.016 53 V CB 2.121 33.800 31.823 -0.241 0.000 1.090 53 V HN 0.882 nan 8.190 nan 0.000 0.449 54 E N 0.346 120.397 120.200 -0.247 0.000 2.234 54 E HA 0.538 4.887 4.350 -0.000 0.000 0.266 54 E C -1.651 174.815 176.600 -0.224 0.000 0.877 54 E CA -0.694 55.609 56.400 -0.161 0.000 0.758 54 E CB 1.682 31.340 29.700 -0.070 0.000 1.170 54 E HN 0.609 nan 8.360 nan 0.000 0.415 55 F N 1.438 121.388 119.950 0.000 0.000 2.378 55 F HA 0.076 4.603 4.527 -0.000 0.000 0.319 55 F C 2.074 177.879 175.800 0.008 0.000 1.155 55 F CA 0.095 58.101 58.000 0.010 0.000 1.157 55 F CB 1.244 40.257 39.000 0.021 0.000 1.252 55 F HN 0.621 nan 8.300 nan 0.000 0.550 56 S N -0.531 115.295 115.700 0.211 0.000 2.400 56 S HA -0.221 4.249 4.470 -0.000 0.000 0.232 56 S C 1.877 176.537 174.600 0.100 0.000 1.025 56 S CA 1.353 59.622 58.200 0.115 0.000 0.993 56 S CB -1.081 62.175 63.200 0.093 0.000 0.808 56 S HN 0.689 nan 8.310 nan 0.000 0.478 57 S N 0.588 116.360 115.700 0.120 0.000 2.507 57 S HA 0.346 4.816 4.470 -0.000 0.000 0.235 57 S C 1.767 176.413 174.600 0.077 0.000 0.988 57 S CA 0.766 59.012 58.200 0.077 0.000 0.944 57 S CB -0.791 62.439 63.200 0.050 0.000 0.762 57 S HN 1.540 nan 8.310 nan 0.000 0.526 58 G N 0.536 109.399 108.800 0.106 0.000 2.213 58 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.226 58 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.226 58 G C -0.008 174.960 174.900 0.113 0.000 0.992 58 G CA -0.057 45.094 45.100 0.086 0.000 0.632 58 G HN 0.485 nan 8.290 nan 0.000 0.511 59 L N 1.225 122.543 121.223 0.158 0.000 2.456 59 L HA 0.323 4.663 4.340 -0.000 0.000 0.272 59 L C 0.779 177.838 176.870 0.316 0.000 1.189 59 L CA 0.005 54.959 54.840 0.190 0.000 0.846 59 L CB 0.498 42.617 42.059 0.100 0.000 1.111 59 L HN 0.024 nan 8.230 nan 0.000 0.475 60 K N 1.655 122.187 120.400 0.219 0.000 2.106 60 K HA 0.717 5.037 4.320 -0.000 0.000 0.246 60 K C -0.055 176.704 176.600 0.265 0.000 0.987 60 K CA -0.499 55.853 56.287 0.108 0.000 0.904 60 K CB 1.907 34.299 32.500 -0.180 0.000 1.071 60 K HN 0.768 nan 8.250 nan 0.000 0.453 61 G N 0.399 109.280 108.800 0.136 0.000 2.718 61 G HA2 0.533 4.493 3.960 -0.000 0.000 0.295 61 G HA3 0.533 4.493 3.960 -0.000 0.000 0.295 61 G C -1.509 173.455 174.900 0.107 0.000 1.421 61 G CA -0.684 44.623 45.100 0.345 0.000 0.902 61 G HN 0.400 nan 8.290 nan 0.000 0.501 62 M N 1.274 121.053 119.600 0.297 0.000 2.268 62 M HA 0.401 4.881 4.480 -0.000 0.000 0.344 62 M C 0.057 176.445 176.300 0.147 0.000 1.106 62 M CA -0.544 54.874 55.300 0.196 0.000 1.010 62 M CB 1.574 34.387 32.600 0.354 0.000 1.649 62 M HN 0.370 nan 8.290 nan 0.000 0.443 63 S N 5.740 121.484 115.700 0.072 0.000 3.072 63 S HA 0.203 4.673 4.470 -0.000 0.000 0.306 63 S C 1.039 175.672 174.600 0.055 0.000 1.207 63 S CA -0.329 57.898 58.200 0.047 0.000 1.008 63 S CB -0.329 62.876 63.200 0.007 0.000 1.390 63 S HN 0.685 nan 8.310 nan 0.000 0.523 64 L N 1.322 122.582 121.223 0.061 0.000 2.249 64 L HA 0.165 4.505 4.340 -0.000 0.000 0.207 64 L C 0.232 177.122 176.870 0.033 0.000 1.090 64 L CA 0.547 55.416 54.840 0.050 0.000 0.802 64 L CB -0.083 41.992 42.059 0.027 0.000 0.947 64 L HN 0.358 nan 8.230 nan 0.000 0.453 65 N N 0.751 119.466 118.700 0.025 0.000 2.511 65 N HA 0.366 5.106 4.740 -0.000 0.000 0.249 65 N C -1.020 174.500 175.510 0.017 0.000 0.971 65 N CA -0.071 52.990 53.050 0.018 0.000 0.938 65 N CB 1.187 39.679 38.487 0.010 0.000 1.131 65 N HN 0.005 nan 8.380 nan 0.000 0.505 66 L N 2.234 123.466 121.223 0.016 0.000 2.259 66 L HA 0.425 4.765 4.340 -0.000 0.000 0.288 66 L C 0.401 177.277 176.870 0.009 0.000 1.051 66 L CA -0.327 54.519 54.840 0.009 0.000 0.824 66 L CB 0.558 42.620 42.059 0.006 0.000 1.206 66 L HN 0.361 nan 8.230 nan 0.000 0.429 67 E N 3.515 123.720 120.200 0.008 0.000 2.299 67 E HA 0.344 4.694 4.350 -0.000 0.000 0.260 67 E C -1.759 174.845 176.600 0.008 0.000 0.944 67 E CA -1.805 54.601 56.400 0.010 0.000 0.815 67 E CB 1.546 31.255 29.700 0.014 0.000 1.252 67 E HN 0.279 nan 8.360 nan 0.000 0.418 68 P HA -0.166 nan 4.420 nan 0.000 0.215 68 P C 0.382 177.690 177.300 0.014 0.000 1.153 68 P CA 1.390 64.495 63.100 0.009 0.000 0.853 68 P CB 0.127 31.834 31.700 0.012 0.000 0.788 69 D N -2.269 118.147 120.400 0.027 0.000 2.433 69 D HA 0.060 4.699 4.640 -0.000 0.000 0.211 69 D C 0.158 176.498 176.300 0.067 0.000 1.114 69 D CA -0.244 53.788 54.000 0.054 0.000 0.837 69 D CB -0.758 40.080 40.800 0.062 0.000 0.984 69 D HN 0.364 nan 8.370 nan 0.000 0.505 70 N N -1.489 117.233 118.700 0.037 0.000 2.823 70 N HA 0.407 5.147 4.740 -0.000 0.000 0.251 70 N C -1.926 173.594 175.510 0.017 0.000 1.392 70 N CA -1.023 52.050 53.050 0.038 0.000 0.864 70 N CB 1.669 40.190 38.487 0.057 0.000 1.481 70 N HN -0.211 nan 8.380 nan 0.000 0.508 71 V N 0.246 120.170 119.914 0.017 0.000 2.384 71 V HA 0.704 4.824 4.120 -0.000 0.000 0.287 71 V C 0.731 176.846 176.094 0.036 0.000 1.020 71 V CA -0.644 61.664 62.300 0.014 0.000 0.850 71 V CB 1.048 32.868 31.823 -0.005 0.000 0.987 71 V HN 0.868 nan 8.190 nan 0.000 0.436 72 G N 3.970 112.790 108.800 0.035 0.000 2.365 72 G HA2 0.477 4.437 3.960 -0.000 0.000 0.293 72 G HA3 0.477 4.437 3.960 -0.000 0.000 0.293 72 G C -0.557 174.381 174.900 0.063 0.000 1.128 72 G CA -0.136 44.990 45.100 0.044 0.000 0.971 72 G HN 0.548 nan 8.290 nan 0.000 0.422 73 V N 4.212 124.190 119.914 0.107 0.000 2.384 73 V HA 0.332 4.452 4.120 -0.000 0.000 0.287 73 V C 0.514 176.727 176.094 0.198 0.000 1.020 73 V CA -0.824 61.574 62.300 0.164 0.000 0.850 73 V CB 1.453 33.406 31.823 0.215 0.000 0.987 73 V HN 0.737 nan 8.190 nan 0.000 0.436 74 V N 3.980 124.009 119.914 0.192 0.000 2.530 74 V HA 0.578 4.698 4.120 -0.000 0.000 0.282 74 V C 0.003 176.272 176.094 0.292 0.000 1.048 74 V CA -0.446 61.951 62.300 0.161 0.000 0.997 74 V CB 1.299 33.164 31.823 0.070 0.000 0.987 74 V HN 0.477 nan 8.190 nan 0.000 0.477 75 V N 5.671 125.687 119.914 0.171 0.000 2.406 75 V HA 0.315 4.435 4.120 -0.000 0.000 0.272 75 V C 0.055 176.266 176.094 0.195 0.000 1.043 75 V CA -0.117 62.299 62.300 0.194 0.000 0.915 75 V CB 0.719 32.524 31.823 -0.029 0.000 0.988 75 V HN 0.793 nan 8.190 nan 0.000 0.466 76 F N 4.786 124.783 119.950 0.079 0.000 2.669 76 F HA 0.619 5.146 4.527 -0.000 0.000 0.353 76 F C 1.104 176.926 175.800 0.038 0.000 1.192 76 F CA 0.259 58.302 58.000 0.071 0.000 1.317 76 F CB -0.031 39.026 39.000 0.095 0.000 1.652 76 F HN 0.737 nan 8.300 nan 0.000 0.608 77 G N 0.364 109.224 108.800 0.100 0.000 2.351 77 G HA2 -0.035 3.924 3.960 -0.000 0.000 0.279 77 G HA3 -0.035 3.924 3.960 -0.000 0.000 0.279 77 G C -1.535 173.362 174.900 -0.006 0.000 1.297 77 G CA -1.191 43.938 45.100 0.048 0.000 0.886 77 G HN 0.059 nan 8.290 nan 0.000 0.493 78 N N 1.237 119.928 118.700 -0.014 0.000 2.442 78 N HA 0.230 4.970 4.740 -0.000 0.000 0.265 78 N C 0.909 176.380 175.510 -0.065 0.000 1.138 78 N CA 0.336 53.366 53.050 -0.032 0.000 0.956 78 N CB 1.377 39.852 38.487 -0.020 0.000 1.067 78 N HN 0.543 nan 8.380 nan 0.000 0.474 79 D N 3.051 123.406 120.400 -0.076 0.000 2.363 79 D HA -0.162 4.478 4.640 -0.000 0.000 0.220 79 D C 1.339 177.586 176.300 -0.088 0.000 0.994 79 D CA 0.745 54.678 54.000 -0.111 0.000 0.890 79 D CB -0.141 40.596 40.800 -0.106 0.000 0.906 79 D HN 0.737 nan 8.370 nan 0.000 0.530 80 K N 0.866 121.231 120.400 -0.059 0.000 2.211 80 K HA -0.129 4.191 4.320 -0.000 0.000 0.204 80 K C 1.574 178.147 176.600 -0.045 0.000 1.047 80 K CA 0.954 57.216 56.287 -0.042 0.000 0.935 80 K CB -0.418 32.066 32.500 -0.028 0.000 0.728 80 K HN 0.225 nan 8.250 nan 0.000 0.452 81 L N 1.163 122.350 121.223 -0.059 0.000 2.612 81 L HA 0.282 4.622 4.340 -0.000 0.000 0.230 81 L C 0.383 177.205 176.870 -0.080 0.000 1.140 81 L CA -0.121 54.687 54.840 -0.053 0.000 0.896 81 L CB 0.028 42.063 42.059 -0.040 0.000 1.065 81 L HN 0.169 nan 8.230 nan 0.000 0.447 82 I N -0.050 120.447 120.570 -0.121 0.000 2.436 82 I HA 0.302 4.472 4.170 -0.000 0.000 0.289 82 I C -0.287 175.791 176.117 -0.065 0.000 1.010 82 I CA -0.474 60.741 61.300 -0.142 0.000 1.098 82 I CB 1.824 39.612 38.000 -0.353 0.000 1.266 82 I HN -0.041 nan 8.210 nan 0.000 0.434 83 K N 4.333 124.725 120.400 -0.012 0.000 2.395 83 K HA 0.351 4.671 4.320 -0.000 0.000 0.247 83 K C -0.613 176.005 176.600 0.030 0.000 0.973 83 K CA -0.945 55.345 56.287 0.005 0.000 0.828 83 K CB 2.481 34.986 32.500 0.009 0.000 1.272 83 K HN 0.551 nan 8.250 nan 0.000 0.439 84 E N 0.201 120.416 120.200 0.025 0.000 2.502 84 E HA -0.081 4.269 4.350 -0.000 0.000 0.261 84 E C 0.538 177.161 176.600 0.039 0.000 0.974 84 E CA 1.423 57.844 56.400 0.034 0.000 0.936 84 E CB 0.130 29.843 29.700 0.020 0.000 0.926 84 E HN 0.783 nan 8.360 nan 0.000 0.459 85 G N 3.943 112.773 108.800 0.050 0.000 2.195 85 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.246 85 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.246 85 G C -0.142 174.795 174.900 0.062 0.000 0.984 85 G CA 0.169 45.298 45.100 0.047 0.000 0.633 85 G HN 0.662 nan 8.290 nan 0.000 0.525 86 D N 0.545 120.994 120.400 0.082 0.000 2.443 86 D HA 0.399 5.039 4.640 -0.000 0.000 0.239 86 D C 1.017 177.382 176.300 0.108 0.000 1.136 86 D CA 0.024 54.086 54.000 0.103 0.000 0.879 86 D CB 0.636 41.522 40.800 0.144 0.000 1.195 86 D HN 0.288 nan 8.370 nan 0.000 0.443 87 I N 1.711 122.329 120.570 0.080 0.000 2.529 87 I HA 0.052 4.222 4.170 -0.000 0.000 0.284 87 I C 0.010 176.139 176.117 0.020 0.000 1.082 87 I CA 0.002 61.329 61.300 0.045 0.000 1.406 87 I CB 0.836 38.852 38.000 0.026 0.000 1.405 87 I HN -0.005 nan 8.210 nan 0.000 0.548 88 V N 6.508 126.391 119.914 -0.053 0.000 2.540 88 V HA 0.494 4.614 4.120 -0.000 0.000 0.302 88 V C -0.205 175.795 176.094 -0.157 0.000 1.035 88 V CA -0.994 61.187 62.300 -0.198 0.000 0.873 88 V CB 1.592 33.220 31.823 -0.326 0.000 0.992 88 V HN 0.602 nan 8.190 nan 0.000 0.428 89 K N 3.431 123.731 120.400 -0.167 0.000 2.318 89 K HA 0.658 4.978 4.320 -0.000 0.000 0.249 89 K C -0.657 175.868 176.600 -0.124 0.000 0.942 89 K CA -0.954 55.265 56.287 -0.114 0.000 0.808 89 K CB 2.758 35.213 32.500 -0.075 0.000 1.189 89 K HN 0.561 nan 8.250 nan 0.000 0.428 90 R N 0.517 120.960 120.500 -0.095 0.000 2.539 90 R HA 0.119 4.459 4.340 -0.000 0.000 0.275 90 R C 0.632 176.891 176.300 -0.068 0.000 1.077 90 R CA 0.030 56.081 56.100 -0.083 0.000 1.097 90 R CB 0.508 30.768 30.300 -0.067 0.000 1.018 90 R HN 0.793 nan 8.270 nan 0.000 0.483 91 T N -2.502 112.013 114.554 -0.065 0.000 3.144 91 T HA 0.201 4.551 4.350 -0.000 0.000 0.290 91 T C 1.084 175.757 174.700 -0.045 0.000 0.966 91 T CA 0.074 62.143 62.100 -0.052 0.000 0.907 91 T CB 0.765 69.601 68.868 -0.054 0.000 1.152 91 T HN 0.819 nan 8.240 nan 0.000 0.532 92 G N 1.738 110.511 108.800 -0.045 0.000 2.168 92 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.257 92 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.257 92 G C 0.448 175.323 174.900 -0.041 0.000 0.997 92 G CA 0.003 45.080 45.100 -0.038 0.000 0.708 92 G HN 1.380 nan 8.290 nan 0.000 0.520 93 A N -0.135 122.655 122.820 -0.051 0.000 2.531 93 A HA 0.526 4.846 4.320 -0.000 0.000 0.236 93 A C 0.612 178.165 177.584 -0.051 0.000 1.062 93 A CA 0.495 52.499 52.037 -0.056 0.000 0.760 93 A CB 0.426 19.381 19.000 -0.076 0.000 0.995 93 A HN 1.199 nan 8.150 nan 0.000 0.501 94 I N 3.727 124.269 120.570 -0.047 0.000 2.436 94 I HA 0.317 4.487 4.170 -0.000 0.000 0.289 94 I C -0.469 175.622 176.117 -0.044 0.000 1.010 94 I CA -0.578 60.697 61.300 -0.040 0.000 1.098 94 I CB 1.802 39.784 38.000 -0.031 0.000 1.266 94 I HN 0.328 nan 8.210 nan 0.000 0.434 95 V N 7.856 127.744 119.914 -0.043 0.000 2.302 95 V HA 0.113 4.232 4.120 -0.000 0.000 0.244 95 V C -0.051 176.029 176.094 -0.024 0.000 1.160 95 V CA -0.260 62.017 62.300 -0.038 0.000 1.127 95 V CB -0.771 31.034 31.823 -0.030 0.000 1.253 95 V HN 0.755 nan 8.190 nan 0.000 0.496 96 D N 3.474 123.862 120.400 -0.021 0.000 2.533 96 D HA 0.734 5.374 4.640 -0.000 0.000 0.247 96 D C -0.402 175.892 176.300 -0.009 0.000 1.056 96 D CA -0.737 53.254 54.000 -0.015 0.000 1.054 96 D CB 2.363 43.151 40.800 -0.020 0.000 1.400 96 D HN 0.306 nan 8.370 nan 0.000 0.533 97 V N -4.949 114.958 119.914 -0.011 0.000 3.007 97 V HA 0.716 4.836 4.120 -0.000 0.000 0.311 97 V C -2.888 173.183 176.094 -0.038 0.000 1.120 97 V CA -2.267 60.026 62.300 -0.012 0.000 0.980 97 V CB 1.881 33.707 31.823 0.005 0.000 1.033 97 V HN 0.586 nan 8.190 nan 0.000 0.429 98 P HA 0.347 nan 4.420 nan 0.000 0.269 98 P C -0.807 176.418 177.300 -0.125 0.000 1.209 98 P CA 0.092 63.143 63.100 -0.082 0.000 0.776 98 P CB 1.469 33.130 31.700 -0.066 0.000 0.876 99 V N 1.250 121.033 119.914 -0.219 0.000 3.007 99 V HA 0.865 4.985 4.120 -0.000 0.000 0.311 99 V C 0.410 176.107 176.094 -0.662 0.000 1.120 99 V CA 0.205 62.278 62.300 -0.379 0.000 0.980 99 V CB 1.851 33.468 31.823 -0.343 0.000 1.033 99 V HN 1.093 nan 8.190 nan 0.000 0.429 100 G N 2.137 110.368 108.800 -0.947 0.000 2.347 100 G HA2 0.019 3.979 3.960 -0.000 0.000 0.341 100 G HA3 0.019 3.979 3.960 -0.000 0.000 0.341 100 G C -0.088 174.579 174.900 -0.388 0.000 1.287 100 G CA -0.104 44.364 45.100 -1.054 0.000 0.984 100 G HN 0.603 nan 8.290 nan 0.000 0.526 101 E N 0.321 120.430 120.200 -0.151 0.000 2.418 101 E HA -0.078 4.272 4.350 -0.000 0.000 0.197 101 E C 2.002 178.621 176.600 0.032 0.000 1.026 101 E CA 1.113 57.546 56.400 0.055 0.000 0.862 101 E CB 0.083 29.837 29.700 0.089 0.000 0.799 101 E HN 0.605 nan 8.360 nan 0.000 0.518 102 E N 0.764 120.945 120.200 -0.032 0.000 2.347 102 E HA -0.131 4.219 4.350 -0.000 0.000 0.196 102 E C 1.885 178.484 176.600 -0.002 0.000 1.008 102 E CA 0.492 56.883 56.400 -0.016 0.000 0.852 102 E CB -0.229 29.448 29.700 -0.039 0.000 0.783 102 E HN 0.341 nan 8.360 nan 0.000 0.505 103 L N 0.723 121.945 121.223 -0.002 0.000 2.395 103 L HA 0.069 4.409 4.340 -0.000 0.000 0.218 103 L C 1.234 178.142 176.870 0.064 0.000 1.130 103 L CA 0.087 54.942 54.840 0.025 0.000 0.826 103 L CB -0.222 41.849 42.059 0.021 0.000 0.941 103 L HN 0.011 nan 8.230 nan 0.000 0.451 104 L N 0.617 121.897 121.223 0.094 0.000 2.513 104 L HA 0.090 4.430 4.340 -0.000 0.000 0.272 104 L C 1.361 178.267 176.870 0.060 0.000 1.187 104 L CA 0.699 55.605 54.840 0.109 0.000 0.895 104 L CB 0.037 42.188 42.059 0.152 0.000 1.147 104 L HN 0.367 nan 8.230 nan 0.000 0.483 105 G N 2.074 110.893 108.800 0.032 0.000 2.176 105 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.253 105 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.253 105 G C 0.218 175.120 174.900 0.002 0.000 0.979 105 G CA -0.448 44.651 45.100 -0.001 0.000 0.641 105 G HN 0.468 nan 8.290 nan 0.000 0.530 106 R N -0.117 120.394 120.500 0.018 0.000 2.604 106 R HA 0.672 5.012 4.340 -0.000 0.000 0.287 106 R C -0.142 176.173 176.300 0.024 0.000 0.970 106 R CA -0.785 55.325 56.100 0.017 0.000 0.946 106 R CB 1.732 32.044 30.300 0.020 0.000 1.127 106 R HN 0.215 nan 8.270 nan 0.000 0.473 107 V N 3.168 123.095 119.914 0.021 0.000 2.370 107 V HA 0.411 4.531 4.120 -0.000 0.000 0.279 107 V C 0.403 176.517 176.094 0.033 0.000 1.029 107 V CA -0.753 61.566 62.300 0.031 0.000 0.870 107 V CB 1.306 33.144 31.823 0.025 0.000 0.984 107 V HN 0.587 nan 8.190 nan 0.000 0.451 108 V N 1.237 121.176 119.914 0.042 0.000 3.046 108 V HA 0.809 4.929 4.120 -0.000 0.000 0.316 108 V C -0.327 175.795 176.094 0.047 0.000 1.104 108 V CA -0.882 61.441 62.300 0.039 0.000 1.006 108 V CB 2.094 33.938 31.823 0.036 0.000 1.058 108 V HN 0.784 nan 8.190 nan 0.000 0.440 109 D N 1.734 122.162 120.400 0.047 0.000 2.440 109 D HA 0.443 5.083 4.640 -0.000 0.000 0.269 109 D C 1.261 177.597 176.300 0.061 0.000 1.249 109 D CA 0.061 54.094 54.000 0.055 0.000 1.055 109 D CB 0.937 41.771 40.800 0.058 0.000 1.104 109 D HN 0.855 nan 8.370 nan 0.000 0.561 110 A N -0.817 122.046 122.820 0.071 0.000 2.131 110 A HA -0.056 4.264 4.320 -0.000 0.000 0.220 110 A C 2.069 179.708 177.584 0.091 0.000 1.158 110 A CA 1.003 53.089 52.037 0.080 0.000 0.665 110 A CB -0.754 18.302 19.000 0.092 0.000 0.795 110 A HN 0.518 nan 8.150 nan 0.000 0.460 111 L N -1.874 119.403 121.223 0.089 0.000 2.728 111 L HA 0.307 4.647 4.340 -0.000 0.000 0.238 111 L C 1.422 178.319 176.870 0.045 0.000 1.143 111 L CA 0.415 55.300 54.840 0.076 0.000 0.937 111 L CB 0.230 42.341 42.059 0.087 0.000 1.225 111 L HN 0.507 nan 8.230 nan 0.000 0.507 112 G N 0.136 108.961 108.800 0.041 0.000 2.136 112 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.242 112 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.242 112 G C -0.017 174.894 174.900 0.019 0.000 0.989 112 G CA -0.337 44.778 45.100 0.025 0.000 0.682 112 G HN 0.368 nan 8.290 nan 0.000 0.522 113 N N 1.066 119.783 118.700 0.028 0.000 2.470 113 N HA 0.500 5.240 4.740 -0.000 0.000 0.268 113 N C 0.680 176.204 175.510 0.024 0.000 1.136 113 N CA 0.608 53.672 53.050 0.024 0.000 0.961 113 N CB 1.376 39.882 38.487 0.031 0.000 1.067 113 N HN 0.708 nan 8.380 nan 0.000 0.468 114 A N 2.451 125.282 122.820 0.017 0.000 2.548 114 A HA 0.109 4.429 4.320 -0.000 0.000 0.247 114 A C 1.315 178.911 177.584 0.020 0.000 1.067 114 A CA 0.033 52.080 52.037 0.017 0.000 0.757 114 A CB -0.543 18.464 19.000 0.011 0.000 0.996 114 A HN 0.833 nan 8.150 nan 0.000 0.504 115 I N -0.624 119.959 120.570 0.022 0.000 4.050 115 I HA 0.259 4.429 4.170 -0.000 0.000 0.327 115 I C 0.253 176.380 176.117 0.017 0.000 1.473 115 I CA 0.015 61.328 61.300 0.022 0.000 1.124 115 I CB 0.462 38.478 38.000 0.028 0.000 1.129 115 I HN 0.469 nan 8.210 nan 0.000 0.428 116 D N 0.951 121.359 120.400 0.013 0.000 2.349 116 D HA 0.172 4.812 4.640 -0.000 0.000 0.214 116 D C 1.650 177.953 176.300 0.005 0.000 1.063 116 D CA 0.564 54.569 54.000 0.008 0.000 0.847 116 D CB 0.212 41.015 40.800 0.005 0.000 0.933 116 D HN 0.414 nan 8.370 nan 0.000 0.513 117 G N 0.864 109.668 108.800 0.007 0.000 2.148 117 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.254 117 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.254 117 G C 0.763 175.665 174.900 0.003 0.000 0.981 117 G CA 0.432 45.535 45.100 0.005 0.000 0.670 117 G HN 0.457 nan 8.290 nan 0.000 0.528 118 K N 0.281 120.683 120.400 0.003 0.000 2.410 118 K HA 0.470 4.790 4.320 -0.000 0.000 0.200 118 K C 1.398 177.999 176.600 0.002 0.000 1.023 118 K CA 0.402 56.691 56.287 0.002 0.000 1.149 118 K CB 0.444 32.945 32.500 0.001 0.000 0.859 118 K HN 1.421 nan 8.250 nan 0.000 0.514 119 G N 2.691 111.493 108.800 0.003 0.000 2.660 119 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.247 119 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.247 119 G C -2.745 172.156 174.900 0.002 0.000 1.328 119 G CA -1.196 43.906 45.100 0.002 0.000 0.884 119 G HN 0.030 nan 8.290 nan 0.000 0.531 120 P HA 0.379 nan 4.420 nan 0.000 0.269 120 P C 0.386 177.683 177.300 -0.005 0.000 1.209 120 P CA -0.241 62.857 63.100 -0.002 0.000 0.776 120 P CB 0.379 32.077 31.700 -0.004 0.000 0.876 121 I N 1.781 122.346 120.570 -0.008 0.000 2.618 121 I HA 0.023 4.193 4.170 -0.000 0.000 0.284 121 I C 1.788 177.892 176.117 -0.021 0.000 1.146 121 I CA 0.335 61.626 61.300 -0.015 0.000 1.425 121 I CB -0.217 37.771 38.000 -0.020 0.000 1.383 121 I HN 0.523 nan 8.210 nan 0.000 0.562 122 G N 4.305 113.092 108.800 -0.023 0.000 3.374 122 G HA2 0.004 3.964 3.960 -0.000 0.000 0.252 122 G HA3 0.004 3.964 3.960 -0.000 0.000 0.252 122 G C 0.680 175.556 174.900 -0.040 0.000 1.326 122 G CA -0.158 44.927 45.100 -0.025 0.000 1.133 122 G HN 0.623 nan 8.290 nan 0.000 0.528 123 S N -0.335 115.333 115.700 -0.053 0.000 2.533 123 S HA 0.171 4.641 4.470 -0.000 0.000 0.282 123 S C 1.333 175.890 174.600 -0.071 0.000 1.304 123 S CA -0.093 58.058 58.200 -0.082 0.000 1.063 123 S CB 0.792 63.937 63.200 -0.091 0.000 0.881 123 S HN 0.460 nan 8.310 nan 0.000 0.493 124 K N 2.744 123.094 120.400 -0.084 0.000 2.354 124 K HA 0.327 4.647 4.320 -0.000 0.000 0.194 124 K C 0.346 176.906 176.600 -0.067 0.000 1.045 124 K CA 0.245 56.496 56.287 -0.061 0.000 1.026 124 K CB 0.602 33.076 32.500 -0.043 0.000 0.866 124 K HN 0.618 nan 8.250 nan 0.000 0.530 125 A N 1.390 124.144 122.820 -0.110 0.000 2.454 125 A HA 0.705 5.025 4.320 -0.000 0.000 0.302 125 A C -0.972 176.540 177.584 -0.119 0.000 1.079 125 A CA -0.796 51.181 52.037 -0.101 0.000 0.731 125 A CB 1.311 20.253 19.000 -0.098 0.000 1.299 125 A HN 0.061 nan 8.150 nan 0.000 0.413 126 R N -0.128 120.327 120.500 -0.076 0.000 2.867 126 R HA 0.779 5.119 4.340 -0.000 0.000 0.268 126 R C -0.776 175.500 176.300 -0.040 0.000 1.014 126 R CA -0.870 55.191 56.100 -0.066 0.000 0.946 126 R CB 2.654 32.926 30.300 -0.047 0.000 1.208 126 R HN 0.780 nan 8.270 nan 0.000 0.477 127 R N 0.882 121.362 120.500 -0.032 0.000 2.626 127 R HA 0.335 4.675 4.340 -0.000 0.000 0.274 127 R C -0.962 175.334 176.300 -0.008 0.000 1.031 127 R CA -0.797 55.297 56.100 -0.011 0.000 0.898 127 R CB 1.791 32.092 30.300 0.001 0.000 1.222 127 R HN 0.554 nan 8.270 nan 0.000 0.455 128 R N 1.660 122.157 120.500 -0.005 0.000 2.623 128 R HA 0.004 4.343 4.340 -0.000 0.000 0.271 128 R C 1.440 177.737 176.300 -0.004 0.000 1.043 128 R CA 0.247 56.341 56.100 -0.010 0.000 1.083 128 R CB 0.744 31.035 30.300 -0.015 0.000 0.974 128 R HN 0.571 nan 8.270 nan 0.000 0.436 129 V N 0.464 120.372 119.914 -0.010 0.000 2.719 129 V HA 0.125 4.245 4.120 -0.000 0.000 0.252 129 V C 0.865 176.934 176.094 -0.041 0.000 1.065 129 V CA 1.412 63.715 62.300 0.005 0.000 1.086 129 V CB 0.010 31.843 31.823 0.017 0.000 0.700 129 V HN 0.729 nan 8.190 nan 0.000 0.467 130 G N 1.270 110.014 108.800 -0.094 0.000 2.800 130 G HA2 0.652 4.612 3.960 -0.000 0.000 0.340 130 G HA3 0.652 4.612 3.960 -0.000 0.000 0.340 130 G C -0.960 173.889 174.900 -0.085 0.000 1.089 130 G CA -0.372 44.631 45.100 -0.161 0.000 1.144 130 G HN 0.361 nan 8.290 nan 0.000 0.461 131 L N 0.799 121.991 121.223 -0.052 0.000 2.333 131 L HA 0.528 4.868 4.340 -0.000 0.000 0.263 131 L C 0.223 177.084 176.870 -0.014 0.000 1.014 131 L CA -1.118 53.709 54.840 -0.021 0.000 0.820 131 L CB 2.756 44.816 42.059 0.001 0.000 1.352 131 L HN 0.229 nan 8.230 nan 0.000 0.421 132 K N 0.983 121.382 120.400 -0.003 0.000 2.270 132 K HA 0.503 4.823 4.320 -0.000 0.000 0.276 132 K C -0.154 176.451 176.600 0.009 0.000 1.023 132 K CA -0.405 55.886 56.287 0.006 0.000 0.955 132 K CB 1.345 33.853 32.500 0.014 0.000 0.975 132 K HN 0.655 nan 8.250 nan 0.000 0.471 133 A N 4.307 127.134 122.820 0.011 0.000 2.466 133 A HA 0.208 4.528 4.320 -0.000 0.000 0.238 133 A C -2.101 175.476 177.584 -0.013 0.000 1.074 133 A CA -1.009 51.031 52.037 0.005 0.000 0.774 133 A CB -0.523 18.482 19.000 0.008 0.000 1.015 133 A HN 0.463 nan 8.150 nan 0.000 0.498 134 P HA 0.245 nan 4.420 nan 0.000 0.266 134 P C 0.684 177.941 177.300 -0.072 0.000 1.195 134 P CA 0.520 63.572 63.100 -0.081 0.000 0.768 134 P CB 0.539 32.163 31.700 -0.128 0.000 0.838 135 G N 1.754 110.504 108.800 -0.083 0.000 2.504 135 G HA2 0.118 4.078 3.960 -0.000 0.000 0.257 135 G HA3 0.118 4.078 3.960 -0.000 0.000 0.257 135 G C 1.058 175.917 174.900 -0.069 0.000 1.451 135 G CA -0.512 44.555 45.100 -0.055 0.000 1.059 135 G HN 0.326 nan 8.290 nan 0.000 0.550 136 I N 0.338 120.881 120.570 -0.044 0.000 2.099 136 I HA -0.133 4.037 4.170 -0.000 0.000 0.239 136 I C 2.856 178.937 176.117 -0.061 0.000 1.066 136 I CA 1.146 62.423 61.300 -0.038 0.000 1.324 136 I CB -0.960 37.031 38.000 -0.016 0.000 1.037 136 I HN 0.258 nan 8.210 nan 0.000 0.401 137 I N 1.217 121.749 120.570 -0.064 0.000 2.226 137 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 137 I C -0.240 175.801 176.117 -0.128 0.000 1.100 137 I CA 1.491 62.756 61.300 -0.059 0.000 1.374 137 I CB -2.953 35.038 38.000 -0.014 0.000 1.057 137 I HN 0.190 nan 8.210 nan 0.000 0.413 138 P HA -0.039 nan 4.420 nan 0.000 0.239 138 P C 0.359 177.446 177.300 -0.354 0.000 1.184 138 P CA 0.824 63.522 63.100 -0.670 0.000 0.760 138 P CB 0.032 31.030 31.700 -1.169 0.000 0.884 139 R N -0.423 119.969 120.500 -0.180 0.000 2.573 139 R HA 0.607 4.947 4.340 -0.000 0.000 0.272 139 R C -0.364 175.916 176.300 -0.034 0.000 1.009 139 R CA -0.859 55.186 56.100 -0.092 0.000 1.059 139 R CB 0.911 31.169 30.300 -0.070 0.000 1.112 139 R HN -0.067 nan 8.270 nan 0.000 0.517 140 I N -0.547 120.017 120.570 -0.010 0.000 2.934 140 I HA 0.236 4.406 4.170 -0.000 0.000 0.306 140 I C -0.531 175.589 176.117 0.005 0.000 1.110 140 I CA -0.380 60.923 61.300 0.006 0.000 1.019 140 I CB 2.453 40.465 38.000 0.021 0.000 1.227 140 I HN 0.509 nan 8.210 nan 0.000 0.434 141 S N 3.369 119.073 115.700 0.006 0.000 2.552 141 S HA 0.184 4.654 4.470 -0.000 0.000 0.289 141 S C -0.291 174.311 174.600 0.004 0.000 1.304 141 S CA -0.515 57.687 58.200 0.004 0.000 1.063 141 S CB 0.214 63.416 63.200 0.004 0.000 0.848 141 S HN 0.412 nan 8.310 nan 0.000 0.499 142 V N 5.428 125.343 119.914 0.002 0.000 2.493 142 V HA 0.084 4.204 4.120 -0.000 0.000 0.292 142 V C 1.322 177.410 176.094 -0.010 0.000 1.016 142 V CA 0.822 63.121 62.300 -0.003 0.000 1.097 142 V CB 0.049 31.869 31.823 -0.004 0.000 0.947 142 V HN 0.850 nan 8.190 nan 0.000 0.479 143 R N 2.128 122.617 120.500 -0.018 0.000 2.551 143 R HA 0.193 4.533 4.340 -0.000 0.000 0.316 143 R C -0.084 176.187 176.300 -0.049 0.000 0.934 143 R CA -0.195 55.889 56.100 -0.026 0.000 1.117 143 R CB 1.026 31.316 30.300 -0.017 0.000 1.626 143 R HN 0.709 nan 8.270 nan 0.000 0.513 144 E N 2.163 122.322 120.200 -0.070 0.000 2.175 144 E HA 0.257 4.607 4.350 -0.000 0.000 0.278 144 E C -2.609 173.910 176.600 -0.135 0.000 0.969 144 E CA -2.166 54.162 56.400 -0.121 0.000 0.796 144 E CB 1.471 31.064 29.700 -0.179 0.000 1.104 144 E HN -0.144 nan 8.360 nan 0.000 0.395 145 P HA -0.047 nan 4.420 nan 0.000 0.265 145 P C -0.663 176.527 177.300 -0.184 0.000 1.193 145 P CA 0.142 63.160 63.100 -0.138 0.000 0.765 145 P CB 0.421 32.039 31.700 -0.136 0.000 0.823 146 M N 3.943 123.465 119.600 -0.129 0.000 2.103 146 M HA 0.138 4.618 4.480 -0.000 0.000 0.350 146 M C -0.656 175.601 176.300 -0.071 0.000 1.100 146 M CA -0.432 54.794 55.300 -0.124 0.000 1.042 146 M CB 0.240 32.790 32.600 -0.084 0.000 1.368 146 M HN 0.304 nan 8.290 nan 0.000 0.404 147 Q N 2.539 122.299 119.800 -0.066 0.000 2.295 147 Q HA 0.174 4.514 4.340 -0.000 0.000 0.259 147 Q C 1.272 177.319 176.000 0.079 0.000 0.976 147 Q CA 0.140 55.962 55.803 0.033 0.000 0.923 147 Q CB 0.851 29.666 28.738 0.128 0.000 1.185 147 Q HN 0.751 nan 8.270 nan 0.000 0.410 148 T N -1.496 113.086 114.554 0.048 0.000 3.043 148 T HA 0.091 4.441 4.350 -0.000 0.000 0.263 148 T C 1.276 176.002 174.700 0.045 0.000 1.094 148 T CA 0.611 62.737 62.100 0.043 0.000 1.127 148 T CB 0.077 68.959 68.868 0.023 0.000 0.905 148 T HN 0.820 nan 8.240 nan 0.000 0.490 149 G N 1.472 110.300 108.800 0.047 0.000 2.162 149 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.260 149 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.260 149 G C 0.035 174.943 174.900 0.012 0.000 0.976 149 G CA 0.255 45.370 45.100 0.026 0.000 0.655 149 G HN 0.672 nan 8.290 nan 0.000 0.533 150 I N 0.655 121.233 120.570 0.013 0.000 2.307 150 I HA 0.252 4.422 4.170 -0.000 0.000 0.289 150 I C 1.565 177.688 176.117 0.011 0.000 1.021 150 I CA -0.777 60.526 61.300 0.006 0.000 1.224 150 I CB 1.315 39.317 38.000 0.003 0.000 1.376 150 I HN -0.012 nan 8.210 nan 0.000 0.470 151 K N 4.218 124.624 120.400 0.010 0.000 2.034 151 K HA -0.257 4.063 4.320 -0.000 0.000 0.214 151 K C 2.101 178.711 176.600 0.017 0.000 1.051 151 K CA 2.024 58.321 56.287 0.016 0.000 0.931 151 K CB -0.165 32.346 32.500 0.019 0.000 0.715 151 K HN 0.802 nan 8.250 nan 0.000 0.446 152 A N 0.839 123.668 122.820 0.015 0.000 1.908 152 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 152 A C 2.390 179.987 177.584 0.022 0.000 1.181 152 A CA 1.635 53.684 52.037 0.020 0.000 0.627 152 A CB -0.613 18.400 19.000 0.021 0.000 0.818 152 A HN 0.096 nan 8.150 nan 0.000 0.445 153 V N 0.440 120.365 119.914 0.018 0.000 2.255 153 V HA -0.191 3.929 4.120 -0.000 0.000 0.243 153 V C 2.137 178.240 176.094 0.014 0.000 1.038 153 V CA 2.168 64.477 62.300 0.016 0.000 1.008 153 V CB -0.870 30.959 31.823 0.011 0.000 0.645 153 V HN 0.470 nan 8.190 nan 0.000 0.449 154 D N 0.506 120.915 120.400 0.014 0.000 2.221 154 D HA -0.130 4.510 4.640 -0.000 0.000 0.204 154 D C 2.378 178.686 176.300 0.014 0.000 0.982 154 D CA 1.778 55.786 54.000 0.013 0.000 0.857 154 D CB -0.168 40.643 40.800 0.018 0.000 0.934 154 D HN 0.612 nan 8.370 nan 0.000 0.475 155 S N -0.772 114.939 115.700 0.018 0.000 2.404 155 S HA 0.062 4.531 4.470 -0.000 0.000 0.223 155 S C 1.881 176.492 174.600 0.019 0.000 1.040 155 S CA 0.218 58.430 58.200 0.019 0.000 0.957 155 S CB -0.117 63.096 63.200 0.022 0.000 0.826 155 S HN 0.215 nan 8.310 nan 0.000 0.491 156 L N 0.786 122.022 121.223 0.022 0.000 2.672 156 L HA 0.415 4.755 4.340 -0.000 0.000 0.236 156 L C -0.229 176.659 176.870 0.030 0.000 1.092 156 L CA -0.020 54.836 54.840 0.027 0.000 0.887 156 L CB 1.067 43.145 42.059 0.031 0.000 1.168 156 L HN 0.162 nan 8.230 nan 0.000 0.502 157 V N 0.414 120.343 119.914 0.026 0.000 2.562 157 V HA 0.248 4.368 4.120 -0.000 0.000 0.274 157 V C -2.420 173.682 176.094 0.012 0.000 1.075 157 V CA -1.260 61.055 62.300 0.025 0.000 1.204 157 V CB -0.006 31.835 31.823 0.030 0.000 1.478 157 V HN -0.011 nan 8.190 nan 0.000 0.622 158 P HA 0.239 nan 4.420 nan 0.000 0.266 158 P C -0.440 176.855 177.300 -0.007 0.000 1.195 158 P CA 0.480 63.580 63.100 -0.000 0.000 0.768 158 P CB 1.410 33.109 31.700 -0.002 0.000 0.838 159 I N 1.792 122.352 120.570 -0.015 0.000 2.433 159 I HA 0.507 4.677 4.170 -0.000 0.000 0.292 159 I C 0.972 177.068 176.117 -0.036 0.000 1.001 159 I CA -0.493 60.793 61.300 -0.022 0.000 1.119 159 I CB 2.147 40.134 38.000 -0.022 0.000 1.289 159 I HN 0.328 nan 8.210 nan 0.000 0.438 160 G N 4.461 113.240 108.800 -0.035 0.000 2.537 160 G HA2 0.578 4.538 3.960 -0.000 0.000 0.323 160 G HA3 0.578 4.538 3.960 -0.000 0.000 0.323 160 G C -0.647 174.225 174.900 -0.046 0.000 1.207 160 G CA -0.891 44.179 45.100 -0.049 0.000 0.976 160 G HN 0.512 nan 8.290 nan 0.000 0.487 161 R N -0.230 120.233 120.500 -0.061 0.000 2.316 161 R HA 0.430 4.770 4.340 -0.000 0.000 0.314 161 R C 1.081 177.389 176.300 0.013 0.000 1.069 161 R CA 1.011 57.091 56.100 -0.034 0.000 0.959 161 R CB 0.844 31.095 30.300 -0.081 0.000 0.987 161 R HN 1.074 nan 8.270 nan 0.000 0.446 162 G N 1.808 110.624 108.800 0.026 0.000 2.218 162 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.216 162 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.216 162 G C 0.212 175.120 174.900 0.013 0.000 0.994 162 G CA -0.240 44.877 45.100 0.028 0.000 0.637 162 G HN 0.572 nan 8.290 nan 0.000 0.505 163 Q N 0.226 120.027 119.800 0.002 0.000 2.417 163 Q HA 0.609 4.949 4.340 -0.000 0.000 0.241 163 Q C -0.061 175.937 176.000 -0.003 0.000 1.008 163 Q CA -0.149 55.652 55.803 -0.003 0.000 0.901 163 Q CB 0.338 29.070 28.738 -0.010 0.000 1.259 163 Q HN 0.329 nan 8.270 nan 0.000 0.489 164 R N 2.114 122.612 120.500 -0.005 0.000 2.360 164 R HA 0.314 4.654 4.340 -0.000 0.000 0.318 164 R C -1.440 174.847 176.300 -0.022 0.000 0.950 164 R CA -0.517 55.578 56.100 -0.009 0.000 0.837 164 R CB 1.596 31.893 30.300 -0.003 0.000 1.165 164 R HN 0.432 nan 8.270 nan 0.000 0.458 165 E N 2.729 122.909 120.200 -0.033 0.000 2.216 165 E HA 0.281 4.631 4.350 -0.000 0.000 0.260 165 E C -1.438 175.119 176.600 -0.072 0.000 0.880 165 E CA -0.913 55.457 56.400 -0.049 0.000 0.765 165 E CB 0.963 30.638 29.700 -0.041 0.000 1.174 165 E HN 0.360 nan 8.360 nan 0.000 0.417 166 L N 5.488 126.649 121.223 -0.105 0.000 2.380 166 L HA 0.451 4.791 4.340 -0.000 0.000 0.273 166 L C -0.910 175.861 176.870 -0.165 0.000 1.138 166 L CA 0.190 54.947 54.840 -0.138 0.000 0.832 166 L CB 0.488 42.442 42.059 -0.175 0.000 1.124 166 L HN 0.642 nan 8.230 nan 0.000 0.454 167 I N 6.940 127.432 120.570 -0.129 0.000 2.330 167 I HA 0.424 4.593 4.170 -0.000 0.000 0.289 167 I C -0.316 175.727 176.117 -0.124 0.000 1.001 167 I CA -0.156 61.074 61.300 -0.117 0.000 1.193 167 I CB 1.211 39.176 38.000 -0.059 0.000 1.345 167 I HN 0.564 nan 8.210 nan 0.000 0.461 168 I N 5.321 125.797 120.570 -0.157 0.000 2.619 168 I HA 0.885 5.055 4.170 -0.000 0.000 0.292 168 I C -0.457 175.643 176.117 -0.027 0.000 1.100 168 I CA 0.017 61.246 61.300 -0.119 0.000 1.043 168 I CB 2.032 39.909 38.000 -0.204 0.000 1.239 168 I HN 0.708 nan 8.210 nan 0.000 0.420 169 G N 4.815 113.624 108.800 0.016 0.000 2.316 169 G HA2 0.176 4.136 3.960 -0.000 0.000 0.296 169 G HA3 0.176 4.136 3.960 -0.000 0.000 0.296 169 G C -1.928 172.991 174.900 0.031 0.000 1.399 169 G CA -0.814 44.316 45.100 0.051 0.000 0.833 169 G HN 0.518 nan 8.290 nan 0.000 0.565 170 D N 0.385 120.804 120.400 0.032 0.000 2.354 170 D HA 0.309 4.949 4.640 -0.000 0.000 0.238 170 D C 1.355 177.650 176.300 -0.009 0.000 1.250 170 D CA 0.020 54.031 54.000 0.020 0.000 0.911 170 D CB 0.386 41.201 40.800 0.025 0.000 1.163 170 D HN 0.686 nan 8.370 nan 0.000 0.456 171 R N 0.765 121.262 120.500 -0.006 0.000 2.619 171 R HA -0.079 4.261 4.340 -0.000 0.000 0.268 171 R C -0.122 176.134 176.300 -0.072 0.000 0.990 171 R CA -0.048 56.039 56.100 -0.022 0.000 1.092 171 R CB -0.046 30.252 30.300 -0.005 0.000 0.935 171 R HN 0.248 nan 8.270 nan 0.000 0.415 172 Q N -0.069 119.673 119.800 -0.097 0.000 2.475 172 Q HA -0.164 4.176 4.340 -0.000 0.000 0.280 172 Q C 0.340 176.098 176.000 -0.404 0.000 1.234 172 Q CA 1.802 57.487 55.803 -0.196 0.000 0.873 172 Q CB -1.724 26.918 28.738 -0.160 0.000 1.256 172 Q HN 1.007 nan 8.270 nan 0.000 0.475 173 T N -5.249 109.139 114.554 -0.277 0.000 3.040 173 T HA 0.436 4.786 4.350 -0.000 0.000 0.250 173 T C 1.138 175.761 174.700 -0.128 0.000 1.058 173 T CA 0.762 62.686 62.100 -0.293 0.000 0.988 173 T CB 1.034 69.841 68.868 -0.101 0.000 0.993 173 T HN 0.833 nan 8.240 nan 0.000 0.519 174 G N 1.674 110.421 108.800 -0.089 0.000 2.151 174 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.156 174 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.156 174 G C 0.609 175.524 174.900 0.025 0.000 1.017 174 G CA 0.122 45.237 45.100 0.024 0.000 0.686 174 G HN 0.477 nan 8.290 nan 0.000 0.503 175 K N -0.431 119.974 120.400 0.009 0.000 2.001 175 K HA -0.025 4.295 4.320 -0.000 0.000 0.208 175 K C 2.558 179.181 176.600 0.039 0.000 1.048 175 K CA 1.770 58.066 56.287 0.016 0.000 0.932 175 K CB -0.308 32.194 32.500 0.004 0.000 0.715 175 K HN 0.264 nan 8.250 nan 0.000 0.437 176 T N 1.218 115.807 114.554 0.059 0.000 2.759 176 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 176 T C 2.087 176.835 174.700 0.080 0.000 1.042 176 T CA 1.531 63.693 62.100 0.104 0.000 1.140 176 T CB -0.211 68.728 68.868 0.119 0.000 0.864 176 T HN 0.144 nan 8.240 nan 0.000 0.455 177 S N 1.086 116.817 115.700 0.052 0.000 2.383 177 S HA -0.040 4.430 4.470 -0.000 0.000 0.229 177 S C 2.002 176.611 174.600 0.016 0.000 1.030 177 S CA 0.893 59.109 58.200 0.026 0.000 1.002 177 S CB -0.448 62.744 63.200 -0.013 0.000 0.829 177 S HN 0.447 nan 8.310 nan 0.000 0.467 178 I N 1.560 122.143 120.570 0.022 0.000 2.163 178 I HA -0.252 3.918 4.170 -0.000 0.000 0.243 178 I C 2.700 178.837 176.117 0.033 0.000 1.085 178 I CA 1.217 62.528 61.300 0.018 0.000 1.347 178 I CB -0.508 37.500 38.000 0.014 0.000 1.044 178 I HN 0.285 nan 8.210 nan 0.000 0.408 179 A N 0.976 123.830 122.820 0.056 0.000 1.902 179 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 179 A C 2.195 179.828 177.584 0.082 0.000 1.181 179 A CA 1.359 53.445 52.037 0.082 0.000 0.623 179 A CB -0.539 18.549 19.000 0.146 0.000 0.818 179 A HN 0.299 nan 8.150 nan 0.000 0.443 180 I N 0.535 121.145 120.570 0.066 0.000 2.252 180 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 180 I C 1.748 177.908 176.117 0.073 0.000 1.102 180 I CA 1.452 62.780 61.300 0.046 0.000 1.385 180 I CB -1.597 36.434 38.000 0.053 0.000 1.064 180 I HN 0.242 nan 8.210 nan 0.000 0.414 181 D N 0.590 121.029 120.400 0.065 0.000 2.117 181 D HA -0.127 4.513 4.640 -0.000 0.000 0.197 181 D C 2.219 178.551 176.300 0.054 0.000 0.987 181 D CA 1.470 55.503 54.000 0.055 0.000 0.829 181 D CB -0.179 40.627 40.800 0.011 0.000 0.961 181 D HN 0.230 nan 8.370 nan 0.000 0.460 182 T N 0.775 115.361 114.554 0.052 0.000 2.684 182 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 182 T C 2.185 176.935 174.700 0.082 0.000 1.036 182 T CA 0.764 62.898 62.100 0.057 0.000 1.148 182 T CB -0.275 68.620 68.868 0.045 0.000 0.863 182 T HN 0.163 nan 8.240 nan 0.000 0.436 183 I N 0.570 121.200 120.570 0.099 0.000 2.179 183 I HA -0.141 4.028 4.170 -0.000 0.000 0.242 183 I C 2.269 178.514 176.117 0.213 0.000 1.088 183 I CA 1.372 62.767 61.300 0.158 0.000 1.357 183 I CB -0.417 37.654 38.000 0.119 0.000 1.051 183 I HN 0.214 nan 8.210 nan 0.000 0.409 184 I N 0.760 121.410 120.570 0.133 0.000 2.335 184 I HA -0.311 3.859 4.170 -0.000 0.000 0.251 184 I C 2.209 178.380 176.117 0.090 0.000 1.129 184 I CA 1.370 62.746 61.300 0.125 0.000 1.402 184 I CB -0.588 37.461 38.000 0.082 0.000 1.069 184 I HN 0.325 nan 8.210 nan 0.000 0.424 185 N N 0.698 119.428 118.700 0.050 0.000 2.289 185 N HA -0.198 4.542 4.740 -0.000 0.000 0.184 185 N C 1.777 177.214 175.510 -0.122 0.000 1.016 185 N CA 1.117 54.151 53.050 -0.026 0.000 0.872 185 N CB 0.049 38.549 38.487 0.022 0.000 0.973 185 N HN 0.240 nan 8.380 nan 0.000 0.433 186 Q N 0.304 120.077 119.800 -0.045 0.000 2.436 186 Q HA -0.076 4.264 4.340 -0.000 0.000 0.209 186 Q C 1.622 177.366 176.000 -0.426 0.000 0.965 186 Q CA 0.497 56.215 55.803 -0.141 0.000 0.910 186 Q CB -0.191 28.413 28.738 -0.223 0.000 0.980 186 Q HN 0.522 nan 8.270 nan 0.000 0.491 187 K N 1.697 121.929 120.400 -0.280 0.000 2.074 187 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 187 K C 2.094 178.540 176.600 -0.258 0.000 1.048 187 K CA 1.711 57.894 56.287 -0.174 0.000 0.926 187 K CB 0.041 32.581 32.500 0.066 0.000 0.713 187 K HN 0.259 nan 8.250 nan 0.000 0.444 188 R N -0.448 119.813 120.500 -0.399 0.000 2.092 188 R HA -0.113 4.227 4.340 -0.000 0.000 0.231 188 R C 2.074 178.141 176.300 -0.389 0.000 1.119 188 R CA 1.746 57.587 56.100 -0.431 0.000 0.970 188 R CB -0.810 29.160 30.300 -0.548 0.000 0.864 188 R HN 0.170 nan 8.270 nan 0.000 0.440 189 F N 1.699 121.546 119.950 -0.171 0.000 2.146 189 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 189 F C 2.020 177.691 175.800 -0.214 0.000 1.096 189 F CA 0.579 58.469 58.000 -0.184 0.000 1.275 189 F CB -0.349 38.524 39.000 -0.212 0.000 1.008 189 F HN 0.033 nan 8.300 nan 0.000 0.480 190 N N 0.095 118.698 118.700 -0.162 0.000 2.331 190 N HA -0.118 4.621 4.740 -0.000 0.000 0.180 190 N C 0.985 176.430 175.510 -0.108 0.000 1.019 190 N CA 1.077 53.987 53.050 -0.235 0.000 0.881 190 N CB -0.441 37.740 38.487 -0.510 0.000 0.972 190 N HN 0.231 nan 8.380 nan 0.000 0.435 191 D N -0.029 120.316 120.400 -0.091 0.000 2.355 191 D HA 0.069 4.709 4.640 -0.000 0.000 0.218 191 D C 1.168 177.449 176.300 -0.032 0.000 1.004 191 D CA 0.218 54.193 54.000 -0.042 0.000 0.880 191 D CB -0.116 40.657 40.800 -0.045 0.000 0.911 191 D HN 0.144 nan 8.370 nan 0.000 0.528 192 G N -0.300 108.481 108.800 -0.032 0.000 2.535 192 G HA2 0.294 4.254 3.960 -0.000 0.000 0.282 192 G HA3 0.294 4.254 3.960 -0.000 0.000 0.282 192 G C 1.034 175.935 174.900 0.003 0.000 1.350 192 G CA 0.246 45.340 45.100 -0.009 0.000 1.039 192 G HN 0.158 nan 8.290 nan 0.000 0.509 193 T N -3.206 111.353 114.554 0.009 0.000 3.001 193 T HA 0.086 4.436 4.350 -0.000 0.000 0.251 193 T C 0.622 175.331 174.700 0.015 0.000 1.040 193 T CA 0.279 62.387 62.100 0.013 0.000 0.985 193 T CB 0.278 69.152 68.868 0.010 0.000 1.011 193 T HN 0.314 nan 8.240 nan 0.000 0.509 194 D N 3.428 123.836 120.400 0.014 0.000 2.441 194 D HA 0.036 4.676 4.640 -0.000 0.000 0.243 194 D C -0.093 176.211 176.300 0.007 0.000 1.257 194 D CA -0.040 53.965 54.000 0.008 0.000 1.027 194 D CB 0.007 40.809 40.800 0.003 0.000 1.084 194 D HN 0.286 nan 8.370 nan 0.000 0.514 195 E N 3.785 123.997 120.200 0.020 0.000 1.939 195 E HA -0.009 4.341 4.350 -0.000 0.000 0.259 195 E C 0.830 177.457 176.600 0.044 0.000 1.259 195 E CA 0.241 56.664 56.400 0.039 0.000 0.971 195 E CB 0.959 30.692 29.700 0.054 0.000 1.055 195 E HN 0.546 nan 8.360 nan 0.000 0.420 196 K N 1.982 122.402 120.400 0.032 0.000 1.386 196 K HA -0.041 4.279 4.320 -0.000 0.000 0.084 196 K C 0.684 177.223 176.600 -0.102 0.000 2.391 196 K CA -0.002 56.303 56.287 0.031 0.000 1.047 196 K CB -0.212 32.288 32.500 0.000 0.000 2.660 196 K HN 0.067 nan 8.250 nan 0.000 0.355 197 K N 1.659 121.970 120.400 -0.147 0.000 2.400 197 K HA 0.144 4.463 4.320 -0.000 0.000 0.194 197 K C -0.041 176.385 176.600 -0.290 0.000 1.033 197 K CA 0.218 56.321 56.287 -0.308 0.000 1.021 197 K CB 0.327 32.657 32.500 -0.285 0.000 0.808 197 K HN 0.049 nan 8.250 nan 0.000 0.505 198 K N 1.416 121.719 120.400 -0.162 0.000 2.382 198 K HA 0.090 4.410 4.320 -0.000 0.000 0.275 198 K C -0.602 175.814 176.600 -0.307 0.000 1.009 198 K CA -0.064 56.079 56.287 -0.240 0.000 0.970 198 K CB 0.620 32.975 32.500 -0.242 0.000 0.934 198 K HN -0.128 nan 8.250 nan 0.000 0.479 199 L N 4.030 124.981 121.223 -0.454 0.000 2.441 199 L HA 0.292 4.632 4.340 -0.000 0.000 0.270 199 L C -1.639 174.943 176.870 -0.478 0.000 0.973 199 L CA -0.448 54.188 54.840 -0.341 0.000 0.842 199 L CB 0.889 42.831 42.059 -0.195 0.000 1.239 199 L HN 0.437 nan 8.230 nan 0.000 0.406 200 Y N 3.279 123.452 120.300 -0.212 0.000 2.304 200 Y HA 0.511 5.061 4.550 -0.000 0.000 0.328 200 Y C 0.422 176.239 175.900 -0.138 0.000 1.123 200 Y CA -0.170 57.774 58.100 -0.260 0.000 1.218 200 Y CB 1.096 39.097 38.460 -0.766 0.000 1.207 200 Y HN 0.505 nan 8.280 nan 0.000 0.495 201 C N 4.445 123.843 119.300 0.162 0.000 2.435 201 C HA 0.730 5.190 4.460 -0.000 0.000 0.333 201 C C -0.143 174.924 174.990 0.129 0.000 1.202 201 C CA -1.132 57.970 59.018 0.139 0.000 1.830 201 C CB 0.312 28.171 27.740 0.198 0.000 2.326 201 C HN 0.658 nan 8.230 nan 0.000 0.507 202 I N 1.957 122.584 120.570 0.095 0.000 2.478 202 I HA 0.274 4.444 4.170 -0.000 0.000 0.287 202 I C -1.185 174.971 176.117 0.065 0.000 1.042 202 I CA -0.409 60.945 61.300 0.089 0.000 1.067 202 I CB 1.269 39.312 38.000 0.073 0.000 1.233 202 I HN 0.637 nan 8.210 nan 0.000 0.431 203 Y N 7.060 127.348 120.300 -0.021 0.000 2.356 203 Y HA 0.602 5.151 4.550 -0.000 0.000 0.334 203 Y C -0.879 175.012 175.900 -0.017 0.000 0.958 203 Y CA -0.740 57.340 58.100 -0.035 0.000 1.196 203 Y CB 1.214 39.663 38.460 -0.019 0.000 1.137 203 Y HN 0.258 nan 8.280 nan 0.000 0.485 204 V N 6.550 126.205 119.914 -0.432 0.000 2.348 204 V HA 0.604 4.724 4.120 -0.000 0.000 0.270 204 V C 0.119 175.949 176.094 -0.441 0.000 1.037 204 V CA -0.580 61.561 62.300 -0.265 0.000 0.872 204 V CB 0.626 32.405 31.823 -0.074 0.000 1.002 204 V HN 0.908 nan 8.190 nan 0.000 0.464 205 A N 6.853 129.552 122.820 -0.202 0.000 2.260 205 A HA 0.851 5.170 4.320 -0.000 0.000 0.308 205 A C -0.634 176.936 177.584 -0.023 0.000 1.254 205 A CA -0.317 51.673 52.037 -0.078 0.000 0.874 205 A CB 0.136 19.228 19.000 0.154 0.000 1.153 205 A HN 0.750 nan 8.150 nan 0.000 0.527 206 I N 1.985 122.539 120.570 -0.026 0.000 2.410 206 I HA 0.570 4.740 4.170 -0.000 0.000 0.286 206 I C 1.073 177.201 176.117 0.019 0.000 1.009 206 I CA 0.493 61.793 61.300 -0.001 0.000 1.111 206 I CB 1.837 39.828 38.000 -0.014 0.000 1.262 206 I HN 0.999 nan 8.210 nan 0.000 0.443 207 G N 3.586 112.403 108.800 0.029 0.000 2.179 207 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 207 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 207 G C 0.321 175.242 174.900 0.036 0.000 0.977 207 G CA -0.198 44.922 45.100 0.033 0.000 0.641 207 G HN 0.585 nan 8.290 nan 0.000 0.533 208 Q N 0.314 120.140 119.800 0.043 0.000 2.382 208 Q HA 0.446 4.786 4.340 -0.000 0.000 0.229 208 Q C 0.779 176.805 176.000 0.044 0.000 1.006 208 Q CA 0.145 55.978 55.803 0.051 0.000 0.916 208 Q CB 0.546 29.329 28.738 0.075 0.000 1.235 208 Q HN 0.644 nan 8.270 nan 0.000 0.512 209 K N 0.219 120.644 120.400 0.041 0.000 2.185 209 K HA 0.203 4.523 4.320 -0.000 0.000 0.271 209 K C 0.373 176.994 176.600 0.036 0.000 1.013 209 K CA -0.454 55.853 56.287 0.034 0.000 0.943 209 K CB 1.040 33.556 32.500 0.028 0.000 0.998 209 K HN 0.416 nan 8.250 nan 0.000 0.468 210 R N 0.687 121.205 120.500 0.030 0.000 2.127 210 R HA -0.152 4.187 4.340 -0.000 0.000 0.238 210 R C 2.204 178.518 176.300 0.024 0.000 1.134 210 R CA 2.036 58.154 56.100 0.029 0.000 0.975 210 R CB -0.325 29.990 30.300 0.024 0.000 0.865 210 R HN 0.929 nan 8.270 nan 0.000 0.447 211 S N -0.384 115.328 115.700 0.020 0.000 2.402 211 S HA -0.086 4.384 4.470 -0.000 0.000 0.229 211 S C 1.913 176.521 174.600 0.013 0.000 1.021 211 S CA 1.417 59.625 58.200 0.014 0.000 0.974 211 S CB -0.317 62.890 63.200 0.012 0.000 0.800 211 S HN 0.158 nan 8.310 nan 0.000 0.484 212 T N 2.710 117.278 114.554 0.022 0.000 2.684 212 T HA -0.054 4.296 4.350 -0.000 0.000 0.267 212 T C 1.908 176.621 174.700 0.020 0.000 1.036 212 T CA 1.627 63.742 62.100 0.026 0.000 1.148 212 T CB -0.662 68.231 68.868 0.041 0.000 0.863 212 T HN 0.304 nan 8.240 nan 0.000 0.436 213 V N 1.744 121.679 119.914 0.035 0.000 2.407 213 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 213 V C 2.851 178.943 176.094 -0.003 0.000 1.055 213 V CA 1.635 63.956 62.300 0.035 0.000 1.049 213 V CB -1.236 30.628 31.823 0.068 0.000 0.662 213 V HN 0.533 nan 8.190 nan 0.000 0.455 214 A N -0.906 121.912 122.820 -0.002 0.000 1.930 214 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 214 A C 2.220 179.783 177.584 -0.035 0.000 1.175 214 A CA 1.406 53.433 52.037 -0.016 0.000 0.627 214 A CB -0.399 18.596 19.000 -0.008 0.000 0.815 214 A HN 0.510 nan 8.150 nan 0.000 0.443 215 Q N -0.652 119.130 119.800 -0.031 0.000 2.084 215 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 215 Q C 2.121 178.077 176.000 -0.074 0.000 0.978 215 Q CA 0.898 56.675 55.803 -0.044 0.000 0.844 215 Q CB -0.550 28.174 28.738 -0.024 0.000 0.898 215 Q HN 0.581 nan 8.270 nan 0.000 0.426 216 L N 1.153 122.326 121.223 -0.084 0.000 2.012 216 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 216 L C 2.443 179.214 176.870 -0.165 0.000 1.073 216 L CA 1.929 56.678 54.840 -0.151 0.000 0.748 216 L CB -1.059 40.872 42.059 -0.213 0.000 0.891 216 L HN 0.189 nan 8.230 nan 0.000 0.431 217 V N -2.083 117.756 119.914 -0.124 0.000 2.515 217 V HA -0.194 3.926 4.120 -0.000 0.000 0.250 217 V C 2.632 178.663 176.094 -0.105 0.000 1.058 217 V CA 1.737 63.970 62.300 -0.110 0.000 1.064 217 V CB -0.854 30.928 31.823 -0.069 0.000 0.675 217 V HN 0.298 nan 8.190 nan 0.000 0.461 218 K N 1.411 121.755 120.400 -0.093 0.000 2.032 218 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 218 K C 2.331 178.857 176.600 -0.125 0.000 1.048 218 K CA 2.142 58.373 56.287 -0.094 0.000 0.927 218 K CB -0.605 31.847 32.500 -0.079 0.000 0.712 218 K HN 0.462 nan 8.250 nan 0.000 0.441 219 R N 0.622 121.031 120.500 -0.152 0.000 2.096 219 R HA -0.050 4.290 4.340 -0.000 0.000 0.240 219 R C 2.098 178.292 176.300 -0.176 0.000 1.139 219 R CA 1.919 57.896 56.100 -0.205 0.000 0.952 219 R CB -0.812 29.352 30.300 -0.227 0.000 0.854 219 R HN 0.357 nan 8.270 nan 0.000 0.436 220 L N -0.513 120.615 121.223 -0.157 0.000 2.093 220 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 220 L C 2.171 178.952 176.870 -0.149 0.000 1.085 220 L CA 1.733 56.480 54.840 -0.155 0.000 0.755 220 L CB -0.587 41.368 42.059 -0.174 0.000 0.904 220 L HN 0.289 nan 8.230 nan 0.000 0.435 221 T N -1.171 113.305 114.554 -0.129 0.000 2.737 221 T HA -0.156 4.194 4.350 -0.000 0.000 0.265 221 T C 1.416 176.059 174.700 -0.096 0.000 1.038 221 T CA 1.358 63.394 62.100 -0.108 0.000 1.144 221 T CB -0.234 68.582 68.868 -0.086 0.000 0.866 221 T HN 0.273 nan 8.240 nan 0.000 0.434 222 D N 1.567 121.906 120.400 -0.102 0.000 2.178 222 D HA 0.036 4.676 4.640 -0.000 0.000 0.201 222 D C 2.124 178.371 176.300 -0.087 0.000 0.980 222 D CA 0.936 54.880 54.000 -0.094 0.000 0.842 222 D CB -0.341 40.392 40.800 -0.112 0.000 0.948 222 D HN 0.435 nan 8.370 nan 0.000 0.472 223 A N 0.305 123.067 122.820 -0.097 0.000 2.206 223 A HA -0.048 4.272 4.320 -0.000 0.000 0.211 223 A C 0.634 178.186 177.584 -0.054 0.000 1.158 223 A CA 0.755 52.751 52.037 -0.069 0.000 0.761 223 A CB -0.028 18.934 19.000 -0.063 0.000 0.801 223 A HN 0.081 nan 8.150 nan 0.000 0.473 224 D N -3.263 117.092 120.400 -0.075 0.000 2.870 224 D HA -0.196 4.444 4.640 -0.000 0.000 0.228 224 D C 0.733 176.955 176.300 -0.130 0.000 1.147 224 D CA 1.063 55.021 54.000 -0.071 0.000 0.757 224 D CB -1.311 39.475 40.800 -0.023 0.000 1.091 224 D HN 0.512 nan 8.370 nan 0.000 0.429 225 A N -0.756 121.916 122.820 -0.247 0.000 2.169 225 A HA 0.130 4.450 4.320 -0.000 0.000 0.210 225 A C 2.075 179.172 177.584 -0.812 0.000 1.168 225 A CA 0.500 52.174 52.037 -0.605 0.000 0.813 225 A CB -0.029 18.779 19.000 -0.320 0.000 0.861 225 A HN 0.277 nan 8.150 nan 0.000 0.481 226 M N 1.189 120.548 119.600 -0.401 0.000 2.213 226 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 226 M C 2.005 178.161 176.300 -0.239 0.000 1.062 226 M CA 1.748 56.883 55.300 -0.274 0.000 1.105 226 M CB -0.897 31.613 32.600 -0.150 0.000 1.385 226 M HN 0.685 nan 8.290 nan 0.000 0.417 227 K N 0.038 120.300 120.400 -0.229 0.000 2.442 227 K HA -0.160 4.159 4.320 -0.000 0.000 0.198 227 K C 0.749 177.390 176.600 0.069 0.000 1.042 227 K CA 1.291 57.547 56.287 -0.052 0.000 0.958 227 K CB -0.486 32.025 32.500 0.018 0.000 0.766 227 K HN 0.516 nan 8.250 nan 0.000 0.474 228 Y N -0.909 119.434 120.300 0.072 0.000 2.675 228 Y HA 0.442 4.992 4.550 -0.000 0.000 0.248 228 Y C -0.445 175.519 175.900 0.105 0.000 1.161 228 Y CA -1.074 57.101 58.100 0.125 0.000 1.203 228 Y CB 0.144 38.627 38.460 0.038 0.000 1.262 228 Y HN -0.216 nan 8.280 nan 0.000 0.544 229 T N 2.820 117.365 114.554 -0.015 0.000 2.829 229 T HA 0.614 4.964 4.350 -0.000 0.000 0.280 229 T C -0.513 174.222 174.700 0.057 0.000 0.999 229 T CA -0.409 61.705 62.100 0.024 0.000 0.983 229 T CB 1.927 70.739 68.868 -0.094 0.000 0.968 229 T HN 0.134 nan 8.240 nan 0.000 0.446 230 I N 2.355 122.988 120.570 0.104 0.000 2.354 230 I HA 0.433 4.603 4.170 -0.000 0.000 0.292 230 I C -0.479 175.701 176.117 0.105 0.000 0.989 230 I CA -1.072 60.289 61.300 0.102 0.000 1.188 230 I CB 1.698 39.779 38.000 0.134 0.000 1.342 230 I HN 0.246 nan 8.210 nan 0.000 0.457 231 V N 7.276 127.245 119.914 0.091 0.000 2.328 231 V HA 0.273 4.393 4.120 -0.000 0.000 0.278 231 V C 0.065 176.220 176.094 0.101 0.000 1.021 231 V CA -0.642 61.734 62.300 0.127 0.000 0.838 231 V CB 1.481 33.371 31.823 0.112 0.000 0.999 231 V HN 0.403 nan 8.190 nan 0.000 0.447 232 V N 4.218 124.189 119.914 0.095 0.000 2.370 232 V HA 0.511 4.631 4.120 -0.000 0.000 0.279 232 V C 0.297 176.429 176.094 0.064 0.000 1.029 232 V CA -0.015 62.326 62.300 0.067 0.000 0.870 232 V CB 1.602 33.456 31.823 0.052 0.000 0.984 232 V HN 0.834 nan 8.190 nan 0.000 0.451 233 S N 4.022 119.761 115.700 0.064 0.000 2.707 233 S HA 0.759 5.229 4.470 -0.000 0.000 0.303 233 S C -0.360 174.271 174.600 0.052 0.000 1.132 233 S CA -0.209 58.030 58.200 0.065 0.000 1.046 233 S CB 1.119 64.366 63.200 0.078 0.000 1.004 233 S HN 1.053 nan 8.310 nan 0.000 0.483 234 A N 4.315 127.160 122.820 0.043 0.000 2.431 234 A HA 0.634 4.954 4.320 -0.000 0.000 0.318 234 A C 0.473 178.078 177.584 0.035 0.000 1.330 234 A CA -0.615 51.445 52.037 0.039 0.000 0.804 234 A CB 0.100 19.121 19.000 0.035 0.000 1.135 234 A HN 0.831 nan 8.150 nan 0.000 0.483 235 T N -0.965 113.611 114.554 0.037 0.000 2.814 235 T HA 0.558 4.908 4.350 -0.000 0.000 0.284 235 T C 1.541 176.257 174.700 0.028 0.000 0.998 235 T CA 0.075 62.197 62.100 0.036 0.000 0.935 235 T CB 0.929 69.819 68.868 0.038 0.000 1.167 235 T HN 0.994 nan 8.240 nan 0.000 0.545 236 A N 0.556 123.393 122.820 0.027 0.000 2.019 236 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 236 A C 2.416 180.009 177.584 0.015 0.000 1.164 236 A CA 1.758 53.808 52.037 0.022 0.000 0.644 236 A CB -1.253 17.760 19.000 0.023 0.000 0.805 236 A HN 1.046 nan 8.150 nan 0.000 0.449 237 S N -0.715 114.994 115.700 0.015 0.000 2.575 237 S HA 0.091 4.561 4.470 -0.000 0.000 0.215 237 S C -0.139 174.467 174.600 0.009 0.000 0.966 237 S CA -0.276 57.931 58.200 0.011 0.000 0.911 237 S CB -0.197 63.010 63.200 0.012 0.000 0.780 237 S HN 0.352 nan 8.310 nan 0.000 0.514 238 D N 2.992 123.399 120.400 0.012 0.000 2.382 238 D HA 0.538 5.178 4.640 -0.000 0.000 0.245 238 D C 0.389 176.683 176.300 -0.011 0.000 1.120 238 D CA 0.190 54.195 54.000 0.009 0.000 0.890 238 D CB 1.248 42.059 40.800 0.018 0.000 1.201 238 D HN 0.446 nan 8.370 nan 0.000 0.433 239 A N 1.781 124.584 122.820 -0.028 0.000 2.520 239 A HA 0.319 4.639 4.320 -0.000 0.000 0.235 239 A C 1.529 179.057 177.584 -0.093 0.000 1.065 239 A CA 0.430 52.429 52.037 -0.064 0.000 0.764 239 A CB 0.147 19.097 19.000 -0.084 0.000 1.002 239 A HN 0.647 nan 8.150 nan 0.000 0.502 240 A N 3.026 125.796 122.820 -0.084 0.000 1.915 240 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 240 A C -0.161 177.375 177.584 -0.080 0.000 1.198 240 A CA 2.305 54.305 52.037 -0.062 0.000 0.647 240 A CB -1.778 17.185 19.000 -0.060 0.000 0.825 240 A HN 0.659 nan 8.150 nan 0.000 0.456 241 P HA -0.059 nan 4.420 nan 0.000 0.221 241 P C 1.359 178.480 177.300 -0.298 0.000 1.150 241 P CA 0.663 63.562 63.100 -0.334 0.000 0.800 241 P CB -0.104 31.022 31.700 -0.956 0.000 0.787 242 L N -0.874 120.157 121.223 -0.320 0.000 2.056 242 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 242 L C 2.602 179.484 176.870 0.019 0.000 1.078 242 L CA 1.529 56.318 54.840 -0.084 0.000 0.749 242 L CB -0.861 41.180 42.059 -0.030 0.000 0.901 242 L HN -0.014 nan 8.230 nan 0.000 0.433 243 Q N -1.212 118.602 119.800 0.023 0.000 2.119 243 Q HA -0.245 4.094 4.340 -0.000 0.000 0.201 243 Q C 2.088 178.149 176.000 0.101 0.000 0.972 243 Q CA 1.658 57.493 55.803 0.054 0.000 0.847 243 Q CB -0.255 28.514 28.738 0.051 0.000 0.903 243 Q HN 0.488 nan 8.270 nan 0.000 0.433 244 Y N 1.126 121.439 120.300 0.022 0.000 2.181 244 Y HA -0.194 4.356 4.550 -0.000 0.000 0.288 244 Y C 1.645 177.636 175.900 0.152 0.000 1.146 244 Y CA 1.336 59.487 58.100 0.085 0.000 1.164 244 Y CB -0.178 38.355 38.460 0.123 0.000 0.982 244 Y HN -0.001 nan 8.280 nan 0.000 0.515 245 L N -0.382 120.816 121.223 -0.041 0.000 2.179 245 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 245 L C 2.794 179.677 176.870 0.020 0.000 1.096 245 L CA 0.745 55.561 54.840 -0.041 0.000 0.779 245 L CB -0.971 41.153 42.059 0.108 0.000 0.922 245 L HN 0.339 nan 8.230 nan 0.000 0.443 246 A N 1.143 123.966 122.820 0.004 0.000 1.903 246 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 246 A C -0.090 177.474 177.584 -0.034 0.000 1.191 246 A CA 2.037 54.076 52.037 0.004 0.000 0.638 246 A CB -1.861 17.145 19.000 0.009 0.000 0.823 246 A HN 0.273 nan 8.150 nan 0.000 0.451 247 P HA -0.170 nan 4.420 nan 0.000 0.215 247 P C 0.979 178.129 177.300 -0.251 0.000 1.157 247 P CA 1.449 64.377 63.100 -0.287 0.000 0.868 247 P CB -0.246 30.988 31.700 -0.777 0.000 0.788 248 Y N -0.494 119.721 120.300 -0.142 0.000 2.181 248 Y HA -0.146 4.404 4.550 -0.000 0.000 0.288 248 Y C 2.639 178.517 175.900 -0.036 0.000 1.146 248 Y CA 1.275 59.306 58.100 -0.116 0.000 1.164 248 Y CB -1.192 37.148 38.460 -0.199 0.000 0.982 248 Y HN -0.079 nan 8.280 nan 0.000 0.515 249 S N 0.036 115.807 115.700 0.118 0.000 2.353 249 S HA -0.200 4.269 4.470 -0.000 0.000 0.222 249 S C 2.452 177.100 174.600 0.081 0.000 1.035 249 S CA 1.275 59.526 58.200 0.084 0.000 1.025 249 S CB -1.163 62.079 63.200 0.070 0.000 0.902 249 S HN 0.666 nan 8.310 nan 0.000 0.440 250 G N 0.350 109.202 108.800 0.087 0.000 2.476 250 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.218 250 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.218 250 G C 1.757 176.730 174.900 0.122 0.000 1.164 250 G CA 1.188 46.347 45.100 0.098 0.000 0.768 250 G HN 0.584 nan 8.290 nan 0.000 0.560 251 C N 0.468 119.865 119.300 0.162 0.000 2.413 251 C HA -0.046 4.414 4.460 -0.000 0.000 0.276 251 C C 3.321 178.387 174.990 0.126 0.000 1.236 251 C CA 1.801 60.919 59.018 0.167 0.000 1.735 251 C CB -1.017 26.823 27.740 0.168 0.000 2.031 251 C HN 0.385 nan 8.230 nan 0.000 0.474 252 S N 0.495 116.257 115.700 0.104 0.000 2.370 252 S HA -0.209 4.261 4.470 -0.000 0.000 0.226 252 S C 1.725 176.366 174.600 0.068 0.000 1.033 252 S CA 2.144 60.390 58.200 0.076 0.000 1.011 252 S CB -0.398 62.834 63.200 0.053 0.000 0.852 252 S HN 0.661 nan 8.310 nan 0.000 0.457 253 M N 0.855 120.496 119.600 0.068 0.000 2.117 253 M HA -0.067 4.413 4.480 -0.000 0.000 0.262 253 M C 2.508 178.904 176.300 0.160 0.000 1.065 253 M CA 1.551 56.886 55.300 0.058 0.000 1.114 253 M CB -0.919 31.730 32.600 0.081 0.000 1.361 253 M HN 0.453 nan 8.290 nan 0.000 0.408 254 G N 0.127 109.059 108.800 0.220 0.000 2.422 254 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.218 254 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.218 254 G C 1.348 176.404 174.900 0.262 0.000 1.146 254 G CA 0.711 45.998 45.100 0.313 0.000 0.769 254 G HN 0.508 nan 8.290 nan 0.000 0.547 255 E N -0.703 119.589 120.200 0.153 0.000 2.204 255 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 255 E C 1.969 178.608 176.600 0.064 0.000 0.989 255 E CA 0.635 57.096 56.400 0.101 0.000 0.824 255 E CB -0.225 29.521 29.700 0.077 0.000 0.756 255 E HN 0.619 nan 8.360 nan 0.000 0.477 256 Y N 0.496 120.722 120.300 -0.123 0.000 2.165 256 Y HA -0.274 4.276 4.550 -0.000 0.000 0.286 256 Y C 1.648 177.383 175.900 -0.274 0.000 1.155 256 Y CA 1.647 59.589 58.100 -0.262 0.000 1.164 256 Y CB -0.316 37.867 38.460 -0.460 0.000 0.978 256 Y HN -0.047 nan 8.280 nan 0.000 0.513 257 F N -0.050 119.896 119.950 -0.005 0.000 2.128 257 F HA -0.094 4.433 4.527 -0.000 0.000 0.295 257 F C 2.780 178.500 175.800 -0.134 0.000 1.100 257 F CA 1.529 59.463 58.000 -0.110 0.000 1.260 257 F CB -0.582 38.445 39.000 0.045 0.000 1.009 257 F HN -0.124 nan 8.300 nan 0.000 0.476 258 R N 0.707 121.275 120.500 0.114 0.000 2.091 258 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 258 R C 1.118 177.401 176.300 -0.029 0.000 1.136 258 R CA 2.094 58.212 56.100 0.030 0.000 0.959 258 R CB -0.389 29.946 30.300 0.058 0.000 0.856 258 R HN 0.199 nan 8.270 nan 0.000 0.437 259 D N -0.316 120.051 120.400 -0.055 0.000 2.349 259 D HA -0.017 4.623 4.640 -0.000 0.000 0.215 259 D C 0.109 176.342 176.300 -0.112 0.000 1.016 259 D CA 0.553 54.523 54.000 -0.050 0.000 0.870 259 D CB 0.094 40.876 40.800 -0.030 0.000 0.917 259 D HN 0.238 nan 8.370 nan 0.000 0.524 260 N N -0.364 118.217 118.700 -0.199 0.000 2.321 260 N HA 0.265 5.005 4.740 -0.000 0.000 0.242 260 N C 0.838 176.265 175.510 -0.139 0.000 1.141 260 N CA 0.137 53.053 53.050 -0.223 0.000 0.864 260 N CB 1.065 39.292 38.487 -0.432 0.000 1.100 260 N HN 0.027 nan 8.380 nan 0.000 0.510 261 G N 0.078 108.810 108.800 -0.113 0.000 2.160 261 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.251 261 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.251 261 G C 0.107 174.904 174.900 -0.172 0.000 1.008 261 G CA 0.354 45.386 45.100 -0.114 0.000 0.724 261 G HN 0.337 nan 8.290 nan 0.000 0.514 262 K N -0.687 119.609 120.400 -0.174 0.000 2.316 262 K HA 0.681 5.001 4.320 -0.000 0.000 0.234 262 K C -0.477 175.945 176.600 -0.296 0.000 1.054 262 K CA -1.012 55.200 56.287 -0.124 0.000 0.879 262 K CB 1.192 33.788 32.500 0.161 0.000 1.252 262 K HN 0.297 nan 8.250 nan 0.000 0.471 263 H N -0.387 118.772 119.070 0.148 0.000 2.529 263 H HA 0.531 5.087 4.556 -0.000 0.000 0.348 263 H C -1.097 174.270 175.328 0.065 0.000 1.079 263 H CA -0.741 55.352 56.048 0.074 0.000 1.198 263 H CB 2.004 31.758 29.762 -0.012 0.000 1.521 263 H HN 0.674 nan 8.280 nan 0.000 0.514 264 A N 2.978 125.898 122.820 0.167 0.000 2.401 264 A HA 0.538 4.858 4.320 -0.000 0.000 0.310 264 A C -1.375 176.250 177.584 0.068 0.000 1.075 264 A CA -0.682 51.414 52.037 0.098 0.000 0.746 264 A CB 1.893 21.011 19.000 0.197 0.000 1.277 264 A HN 0.454 nan 8.150 nan 0.000 0.425 265 L N 2.281 123.523 121.223 0.032 0.000 2.349 265 L HA 0.783 5.122 4.340 -0.000 0.000 0.278 265 L C -1.049 175.802 176.870 -0.032 0.000 0.996 265 L CA -0.407 54.432 54.840 -0.001 0.000 0.825 265 L CB 1.149 43.208 42.059 -0.000 0.000 1.243 265 L HN 0.684 nan 8.230 nan 0.000 0.412 266 I N 5.099 125.597 120.570 -0.120 0.000 2.474 266 I HA 0.564 4.734 4.170 -0.000 0.000 0.294 266 I C -1.236 174.616 176.117 -0.442 0.000 1.005 266 I CA -0.607 60.526 61.300 -0.279 0.000 1.113 266 I CB 1.526 39.304 38.000 -0.371 0.000 1.289 266 I HN 0.614 nan 8.210 nan 0.000 0.436 267 I N 7.707 128.016 120.570 -0.435 0.000 2.406 267 I HA 0.282 4.452 4.170 -0.000 0.000 0.290 267 I C -1.202 174.574 176.117 -0.569 0.000 0.999 267 I CA -0.093 60.967 61.300 -0.401 0.000 1.124 267 I CB 1.395 39.315 38.000 -0.133 0.000 1.289 267 I HN 0.337 nan 8.210 nan 0.000 0.441 268 Y N 3.950 124.113 120.300 -0.227 0.000 2.593 268 Y HA 0.381 4.931 4.550 -0.000 0.000 0.331 268 Y C -0.118 175.624 175.900 -0.262 0.000 0.986 268 Y CA -0.744 57.196 58.100 -0.266 0.000 1.262 268 Y CB 0.840 39.151 38.460 -0.248 0.000 1.098 268 Y HN 0.408 nan 8.280 nan 0.000 0.506 269 D N 3.805 124.072 120.400 -0.221 0.000 2.477 269 D HA 0.174 4.814 4.640 -0.000 0.000 0.239 269 D C -1.202 175.039 176.300 -0.099 0.000 1.102 269 D CA -0.346 53.550 54.000 -0.172 0.000 0.901 269 D CB 0.296 40.946 40.800 -0.251 0.000 1.026 269 D HN 0.679 nan 8.370 nan 0.000 0.515 270 D N 0.363 120.734 120.400 -0.049 0.000 2.552 270 D HA 0.225 4.865 4.640 -0.000 0.000 0.239 270 D C 0.859 177.122 176.300 -0.061 0.000 1.139 270 D CA -0.744 53.226 54.000 -0.050 0.000 0.914 270 D CB 1.067 41.850 40.800 -0.029 0.000 1.461 270 D HN 0.076 nan 8.370 nan 0.000 0.462 271 L N 0.296 121.448 121.223 -0.117 0.000 2.478 271 L HA -0.013 4.327 4.340 -0.000 0.000 0.223 271 L C 1.699 178.543 176.870 -0.043 0.000 1.140 271 L CA 0.477 55.206 54.840 -0.185 0.000 0.842 271 L CB -0.335 41.400 42.059 -0.541 0.000 0.953 271 L HN 0.424 nan 8.230 nan 0.000 0.452 272 S N 0.063 115.751 115.700 -0.021 0.000 2.368 272 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 272 S C 1.945 176.597 174.600 0.086 0.000 1.029 272 S CA 1.159 59.383 58.200 0.041 0.000 0.988 272 S CB -0.004 63.217 63.200 0.034 0.000 0.838 272 S HN 0.380 nan 8.310 nan 0.000 0.462 273 K N 1.039 121.474 120.400 0.059 0.000 2.103 273 K HA -0.044 4.276 4.320 -0.000 0.000 0.204 273 K C 2.454 179.108 176.600 0.091 0.000 1.052 273 K CA 0.801 57.130 56.287 0.070 0.000 0.945 273 K CB -0.138 32.388 32.500 0.044 0.000 0.722 273 K HN 0.314 nan 8.250 nan 0.000 0.443 274 Q N 0.638 120.488 119.800 0.083 0.000 2.084 274 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 274 Q C 2.005 178.116 176.000 0.186 0.000 0.978 274 Q CA 1.594 57.466 55.803 0.115 0.000 0.844 274 Q CB -0.064 28.709 28.738 0.058 0.000 0.898 274 Q HN 0.320 nan 8.270 nan 0.000 0.426 275 A N -0.038 122.898 122.820 0.195 0.000 1.933 275 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 275 A C 2.220 180.024 177.584 0.367 0.000 1.175 275 A CA 1.377 53.539 52.037 0.209 0.000 0.628 275 A CB -0.627 18.415 19.000 0.069 0.000 0.814 275 A HN 0.291 nan 8.150 nan 0.000 0.444 276 V N -0.157 119.931 119.914 0.290 0.000 2.343 276 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 276 V C 3.062 179.227 176.094 0.118 0.000 1.051 276 V CA 1.957 64.376 62.300 0.198 0.000 1.036 276 V CB -1.175 30.728 31.823 0.133 0.000 0.654 276 V HN 0.622 nan 8.190 nan 0.000 0.451 277 A N -1.040 121.857 122.820 0.129 0.000 1.877 277 A HA -0.282 4.037 4.320 -0.000 0.000 0.216 277 A C 2.172 179.814 177.584 0.097 0.000 1.186 277 A CA 2.151 54.246 52.037 0.096 0.000 0.620 277 A CB -0.813 18.258 19.000 0.118 0.000 0.822 277 A HN 0.609 nan 8.150 nan 0.000 0.443 278 Y N 0.302 120.620 120.300 0.030 0.000 2.224 278 Y HA -0.174 4.376 4.550 -0.000 0.000 0.289 278 Y C 2.527 178.403 175.900 -0.041 0.000 1.146 278 Y CA 1.957 60.028 58.100 -0.049 0.000 1.182 278 Y CB -0.326 38.139 38.460 0.008 0.000 0.983 278 Y HN 0.343 nan 8.280 nan 0.000 0.524 279 R N 0.231 120.756 120.500 0.041 0.000 2.081 279 R HA -0.241 4.099 4.340 -0.000 0.000 0.235 279 R C 2.437 178.636 176.300 -0.168 0.000 1.131 279 R CA 1.845 57.887 56.100 -0.096 0.000 0.960 279 R CB -0.401 29.790 30.300 -0.183 0.000 0.856 279 R HN 0.542 nan 8.270 nan 0.000 0.436 280 Q N 0.345 120.073 119.800 -0.121 0.000 2.014 280 Q HA -0.242 4.098 4.340 -0.000 0.000 0.207 280 Q C 2.102 178.010 176.000 -0.153 0.000 0.993 280 Q CA 2.365 58.098 55.803 -0.116 0.000 0.850 280 Q CB -0.116 28.576 28.738 -0.076 0.000 0.916 280 Q HN 0.428 nan 8.270 nan 0.000 0.417 281 M N -0.124 119.354 119.600 -0.202 0.000 2.080 281 M HA -0.172 4.308 4.480 -0.000 0.000 0.260 281 M C 2.432 178.566 176.300 -0.278 0.000 1.068 281 M CA 1.642 56.798 55.300 -0.240 0.000 1.109 281 M CB -0.193 32.220 32.600 -0.311 0.000 1.342 281 M HN 0.158 nan 8.290 nan 0.000 0.405 282 S N 0.923 116.382 115.700 -0.401 0.000 2.356 282 S HA -0.089 4.381 4.470 -0.000 0.000 0.223 282 S C 1.886 176.373 174.600 -0.189 0.000 1.032 282 S CA 1.192 59.182 58.200 -0.350 0.000 1.005 282 S CB -0.438 62.507 63.200 -0.424 0.000 0.867 282 S HN 0.376 nan 8.310 nan 0.000 0.449 283 L N 0.756 121.882 121.223 -0.162 0.000 2.056 283 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 283 L C 2.137 178.954 176.870 -0.088 0.000 1.078 283 L CA 1.028 55.803 54.840 -0.108 0.000 0.749 283 L CB -0.466 41.530 42.059 -0.106 0.000 0.901 283 L HN 0.284 nan 8.230 nan 0.000 0.433 284 L N -0.711 120.454 121.223 -0.097 0.000 2.291 284 L HA -0.135 4.205 4.340 -0.000 0.000 0.214 284 L C 2.084 178.917 176.870 -0.061 0.000 1.120 284 L CA 0.593 55.390 54.840 -0.072 0.000 0.799 284 L CB -0.150 41.867 42.059 -0.070 0.000 0.925 284 L HN 0.260 nan 8.230 nan 0.000 0.446 285 L N -0.579 120.596 121.223 -0.080 0.000 2.610 285 L HA 0.032 4.372 4.340 -0.000 0.000 0.232 285 L C 0.746 177.588 176.870 -0.047 0.000 1.149 285 L CA 0.159 54.962 54.840 -0.060 0.000 0.872 285 L CB -0.250 41.761 42.059 -0.080 0.000 0.992 285 L HN 0.238 nan 8.230 nan 0.000 0.447 286 R N 0.224 120.694 120.500 -0.050 0.000 3.641 286 R HA -0.166 4.174 4.340 -0.000 0.000 0.286 286 R C -0.033 176.249 176.300 -0.031 0.000 1.153 286 R CA 0.377 56.456 56.100 -0.036 0.000 0.775 286 R CB -1.561 28.725 30.300 -0.022 0.000 1.215 286 R HN 0.416 nan 8.270 nan 0.000 0.474 287 R N 0.850 121.324 120.500 -0.044 0.000 2.594 287 R HA 0.155 4.495 4.340 -0.000 0.000 0.272 287 R C -2.066 174.224 176.300 -0.016 0.000 1.074 287 R CA -1.545 54.538 56.100 -0.029 0.000 1.105 287 R CB 0.189 30.462 30.300 -0.044 0.000 1.008 287 R HN -0.114 nan 8.270 nan 0.000 0.472 288 P HA 0.053 nan 4.420 nan 0.000 0.267 288 P C -2.303 175.012 177.300 0.025 0.000 1.209 288 P CA -0.874 62.234 63.100 0.014 0.000 0.763 288 P CB 0.160 31.874 31.700 0.024 0.000 0.816 289 P HA 0.257 nan 4.420 nan 0.000 0.284 289 P C 0.080 177.415 177.300 0.059 0.000 1.253 289 P CA 0.030 63.149 63.100 0.032 0.000 0.800 289 P CB 1.451 33.151 31.700 0.002 0.000 0.961 290 G N 2.040 110.907 108.800 0.112 0.000 3.135 290 G HA2 0.345 4.305 3.960 -0.000 0.000 0.159 290 G HA3 0.345 4.305 3.960 -0.000 0.000 0.159 290 G C -0.576 174.389 174.900 0.110 0.000 1.244 290 G CA -0.913 44.252 45.100 0.108 0.000 0.965 290 G HN 0.578 nan 8.290 nan 0.000 0.599 291 R N 0.462 120.991 120.500 0.049 0.000 2.537 291 R HA 0.058 4.398 4.340 -0.000 0.000 0.281 291 R C 0.099 176.557 176.300 0.263 0.000 0.988 291 R CA 1.118 57.230 56.100 0.021 0.000 1.077 291 R CB -0.266 29.871 30.300 -0.272 0.000 0.932 291 R HN 0.726 nan 8.270 nan 0.000 0.409 292 E N 2.471 122.788 120.200 0.195 0.000 2.971 292 E HA -0.333 4.016 4.350 -0.000 0.000 0.278 292 E C 0.284 176.911 176.600 0.046 0.000 1.009 292 E CA 0.559 57.089 56.400 0.216 0.000 0.862 292 E CB -1.193 28.786 29.700 0.465 0.000 1.436 292 E HN 0.907 nan 8.360 nan 0.000 0.434 293 A N -2.294 120.552 122.820 0.043 0.000 2.979 293 A HA -0.306 4.014 4.320 -0.000 0.000 0.260 293 A C 0.087 177.617 177.584 -0.089 0.000 1.282 293 A CA 1.750 53.756 52.037 -0.052 0.000 0.971 293 A CB -2.192 16.733 19.000 -0.126 0.000 1.124 293 A HN 0.448 nan 8.150 nan 0.000 0.826 294 Y N 0.627 121.030 120.300 0.171 0.000 2.336 294 Y HA 0.438 4.988 4.550 -0.000 0.000 0.331 294 Y C -1.183 174.823 175.900 0.176 0.000 1.211 294 Y CA -1.051 57.145 58.100 0.159 0.000 1.346 294 Y CB 0.445 38.985 38.460 0.134 0.000 1.271 294 Y HN 0.267 nan 8.280 nan 0.000 0.538 295 P HA 0.062 nan 4.420 nan 0.000 0.276 295 P C 0.477 177.942 177.300 0.274 0.000 1.252 295 P CA -0.206 63.023 63.100 0.215 0.000 0.802 295 P CB 1.004 32.789 31.700 0.142 0.000 1.035 296 G N 1.183 110.115 108.800 0.220 0.000 2.498 296 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 296 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 296 G C 0.674 175.717 174.900 0.238 0.000 1.119 296 G CA 0.585 45.816 45.100 0.219 0.000 0.766 296 G HN 0.633 nan 8.290 nan 0.000 0.552 297 D N -0.029 120.530 120.400 0.265 0.000 2.368 297 D HA 0.087 4.727 4.640 -0.000 0.000 0.218 297 D C 1.818 178.279 176.300 0.269 0.000 1.112 297 D CA -0.324 53.867 54.000 0.320 0.000 0.834 297 D CB 0.037 41.066 40.800 0.380 0.000 0.953 297 D HN 0.109 nan 8.370 nan 0.000 0.505 298 V N -0.165 119.866 119.914 0.195 0.000 2.515 298 V HA -0.119 4.000 4.120 -0.000 0.000 0.250 298 V C 1.821 177.835 176.094 -0.134 0.000 1.058 298 V CA 1.200 63.489 62.300 -0.017 0.000 1.064 298 V CB -0.670 31.086 31.823 -0.111 0.000 0.675 298 V HN 0.202 nan 8.190 nan 0.000 0.461 299 F N -0.082 119.816 119.950 -0.087 0.000 2.102 299 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 299 F C 2.210 178.045 175.800 0.059 0.000 1.105 299 F CA 2.364 60.354 58.000 -0.017 0.000 1.239 299 F CB -0.615 38.429 39.000 0.072 0.000 0.991 299 F HN 0.341 nan 8.300 nan 0.000 0.474 300 Y N 0.858 121.239 120.300 0.135 0.000 2.193 300 Y HA -0.258 4.292 4.550 -0.000 0.000 0.285 300 Y C 2.181 178.022 175.900 -0.098 0.000 1.166 300 Y CA 1.686 59.812 58.100 0.042 0.000 1.181 300 Y CB -1.061 37.466 38.460 0.112 0.000 0.976 300 Y HN 0.255 nan 8.280 nan 0.000 0.520 301 L N -0.168 120.928 121.223 -0.213 0.000 1.997 301 L HA -0.310 4.030 4.340 -0.000 0.000 0.216 301 L C 2.271 178.987 176.870 -0.257 0.000 1.074 301 L CA 2.590 57.217 54.840 -0.355 0.000 0.763 301 L CB -0.855 40.876 42.059 -0.546 0.000 0.890 301 L HN 0.386 nan 8.230 nan 0.000 0.434 302 H N -1.986 116.905 119.070 -0.298 0.000 2.448 302 H HA -0.012 4.544 4.556 -0.000 0.000 0.292 302 H C 2.361 177.467 175.328 -0.369 0.000 1.035 302 H CA 0.752 56.584 56.048 -0.359 0.000 1.349 302 H CB 0.109 29.652 29.762 -0.365 0.000 1.425 302 H HN 0.546 nan 8.280 nan 0.000 0.539 303 S N 1.128 116.627 115.700 -0.334 0.000 2.368 303 S HA -0.148 4.322 4.470 -0.000 0.000 0.224 303 S C 1.998 176.529 174.600 -0.115 0.000 1.029 303 S CA 0.639 58.663 58.200 -0.293 0.000 0.988 303 S CB -0.115 62.850 63.200 -0.392 0.000 0.838 303 S HN 0.320 nan 8.310 nan 0.000 0.462 304 R N 0.409 120.847 120.500 -0.103 0.000 2.091 304 R HA -0.017 4.323 4.340 -0.000 0.000 0.238 304 R C 2.431 178.724 176.300 -0.012 0.000 1.136 304 R CA 1.548 57.608 56.100 -0.068 0.000 0.959 304 R CB -0.723 29.459 30.300 -0.195 0.000 0.856 304 R HN 0.451 nan 8.270 nan 0.000 0.437 305 L N 0.808 122.013 121.223 -0.029 0.000 2.027 305 L HA -0.095 4.245 4.340 -0.000 0.000 0.206 305 L C 1.903 178.703 176.870 -0.116 0.000 1.074 305 L CA 1.651 56.417 54.840 -0.124 0.000 0.745 305 L CB -0.192 41.580 42.059 -0.478 0.000 0.898 305 L HN 0.102 nan 8.230 nan 0.000 0.433 306 L N -0.921 120.227 121.223 -0.125 0.000 2.395 306 L HA -0.040 4.300 4.340 -0.000 0.000 0.218 306 L C 2.205 179.064 176.870 -0.019 0.000 1.130 306 L CA 0.381 55.181 54.840 -0.066 0.000 0.826 306 L CB -0.266 41.732 42.059 -0.102 0.000 0.941 306 L HN 0.265 nan 8.230 nan 0.000 0.451 307 E N 0.357 120.545 120.200 -0.020 0.000 2.274 307 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 307 E C 2.059 178.666 176.600 0.012 0.000 0.996 307 E CA 0.611 57.012 56.400 0.001 0.000 0.840 307 E CB 0.151 29.856 29.700 0.009 0.000 0.772 307 E HN 0.248 nan 8.360 nan 0.000 0.491 308 R N -0.071 120.441 120.500 0.021 0.000 2.280 308 R HA 0.160 4.500 4.340 -0.000 0.000 0.207 308 R C 0.383 176.711 176.300 0.045 0.000 1.043 308 R CA 0.480 56.601 56.100 0.035 0.000 1.006 308 R CB 0.099 30.430 30.300 0.052 0.000 0.885 308 R HN -0.019 nan 8.270 nan 0.000 0.467 309 A N 1.261 124.111 122.820 0.050 0.000 2.409 309 A HA 0.590 4.910 4.320 -0.000 0.000 0.267 309 A C -0.163 177.437 177.584 0.027 0.000 1.127 309 A CA 0.026 52.091 52.037 0.047 0.000 0.795 309 A CB 0.373 19.402 19.000 0.050 0.000 1.061 309 A HN 0.298 nan 8.150 nan 0.000 0.502 310 A N 2.393 125.229 122.820 0.027 0.000 2.610 310 A HA 0.744 5.064 4.320 -0.000 0.000 0.291 310 A C -0.805 176.793 177.584 0.022 0.000 1.086 310 A CA -0.761 51.283 52.037 0.012 0.000 0.677 310 A CB 1.156 20.150 19.000 -0.010 0.000 1.278 310 A HN 0.900 nan 8.150 nan 0.000 0.414 311 K N 1.336 121.745 120.400 0.014 0.000 2.307 311 K HA 0.630 4.949 4.320 -0.000 0.000 0.263 311 K C -0.792 175.814 176.600 0.009 0.000 0.973 311 K CA -0.304 56.001 56.287 0.030 0.000 0.846 311 K CB 0.641 33.160 32.500 0.032 0.000 1.100 311 K HN 0.581 nan 8.250 nan 0.000 0.438 312 M N 3.340 122.952 119.600 0.019 0.000 2.277 312 M HA 0.226 4.706 4.480 -0.000 0.000 0.350 312 M C 0.117 176.447 176.300 0.050 0.000 1.180 312 M CA -0.855 54.452 55.300 0.011 0.000 1.103 312 M CB 0.521 33.146 32.600 0.043 0.000 1.577 312 M HN 0.784 nan 8.290 nan 0.000 0.459 313 N N 1.361 120.097 118.700 0.061 0.000 2.326 313 N HA 0.018 4.758 4.740 -0.000 0.000 0.239 313 N C 0.130 175.719 175.510 0.131 0.000 1.301 313 N CA -0.078 53.029 53.050 0.095 0.000 0.909 313 N CB 0.468 39.015 38.487 0.100 0.000 1.156 313 N HN 0.425 nan 8.380 nan 0.000 0.462 314 D N -0.255 120.201 120.400 0.094 0.000 2.178 314 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 314 D C 1.647 177.988 176.300 0.067 0.000 0.980 314 D CA 1.643 55.685 54.000 0.070 0.000 0.842 314 D CB -0.544 40.283 40.800 0.045 0.000 0.948 314 D HN 0.729 nan 8.370 nan 0.000 0.472 315 A N -0.132 122.747 122.820 0.098 0.000 2.019 315 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 315 A C 1.464 179.001 177.584 -0.079 0.000 1.164 315 A CA 0.856 52.910 52.037 0.030 0.000 0.644 315 A CB -0.584 18.465 19.000 0.082 0.000 0.805 315 A HN 0.165 nan 8.150 nan 0.000 0.449 316 F N -1.090 118.852 119.950 -0.012 0.000 2.639 316 F HA 0.403 4.930 4.527 -0.000 0.000 0.300 316 F C 1.721 177.503 175.800 -0.031 0.000 1.109 316 F CA 0.496 58.484 58.000 -0.020 0.000 1.335 316 F CB 0.456 39.447 39.000 -0.015 0.000 1.014 316 F HN 0.348 nan 8.300 nan 0.000 0.537 317 G N -0.397 108.448 108.800 0.075 0.000 2.234 317 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.235 317 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.235 317 G C 1.268 176.179 174.900 0.017 0.000 0.997 317 G CA -0.076 45.036 45.100 0.021 0.000 0.623 317 G HN 1.078 nan 8.290 nan 0.000 0.514 318 G N -0.409 108.422 108.800 0.051 0.000 2.153 318 G HA2 0.194 4.154 3.960 -0.000 0.000 0.252 318 G HA3 0.194 4.154 3.960 -0.000 0.000 0.252 318 G C 1.430 176.323 174.900 -0.013 0.000 0.994 318 G CA 1.057 46.184 45.100 0.045 0.000 0.698 318 G HN 2.100 nan 8.290 nan 0.000 0.521 319 G N -0.525 108.219 108.800 -0.094 0.000 2.616 319 G HA2 0.733 4.693 3.960 -0.000 0.000 0.268 319 G HA3 0.733 4.693 3.960 -0.000 0.000 0.268 319 G C 0.309 175.154 174.900 -0.092 0.000 1.213 319 G CA 0.857 45.797 45.100 -0.267 0.000 0.926 319 G HN 1.816 nan 8.290 nan 0.000 0.523 320 S N -1.546 114.122 115.700 -0.053 0.000 2.556 320 S HA 0.601 5.071 4.470 -0.000 0.000 0.271 320 S C -1.459 173.206 174.600 0.110 0.000 1.135 320 S CA -0.818 57.449 58.200 0.111 0.000 0.858 320 S CB 1.955 65.314 63.200 0.264 0.000 1.114 320 S HN 1.027 nan 8.310 nan 0.000 0.468 321 L N 1.835 123.110 121.223 0.087 0.000 2.372 321 L HA 0.691 5.031 4.340 -0.000 0.000 0.274 321 L C -0.736 176.165 176.870 0.053 0.000 0.988 321 L CA 0.194 55.084 54.840 0.083 0.000 0.833 321 L CB 1.777 43.888 42.059 0.086 0.000 1.236 321 L HN 0.916 nan 8.230 nan 0.000 0.410 322 T N 4.318 118.893 114.554 0.035 0.000 2.799 322 T HA 0.807 5.157 4.350 -0.000 0.000 0.286 322 T C -0.178 174.505 174.700 -0.029 0.000 0.973 322 T CA -0.237 61.866 62.100 0.004 0.000 1.035 322 T CB 1.356 70.220 68.868 -0.007 0.000 0.932 322 T HN 0.781 nan 8.240 nan 0.000 0.469 323 A N 3.441 126.243 122.820 -0.030 0.000 2.318 323 A HA 0.748 5.068 4.320 -0.000 0.000 0.324 323 A C -0.415 177.127 177.584 -0.070 0.000 1.170 323 A CA -0.782 51.211 52.037 -0.072 0.000 0.810 323 A CB 0.521 19.549 19.000 0.047 0.000 1.198 323 A HN 0.875 nan 8.150 nan 0.000 0.484 324 L N 4.414 125.561 121.223 -0.127 0.000 2.435 324 L HA 0.321 4.661 4.340 -0.000 0.000 0.253 324 L C -2.301 174.523 176.870 -0.076 0.000 1.087 324 L CA -1.788 53.001 54.840 -0.085 0.000 0.950 324 L CB 1.126 43.143 42.059 -0.071 0.000 1.304 324 L HN 0.485 nan 8.230 nan 0.000 0.453 325 P HA 0.085 nan 4.420 nan 0.000 0.269 325 P C -0.423 176.846 177.300 -0.051 0.000 1.215 325 P CA -0.059 63.060 63.100 0.033 0.000 0.780 325 P CB 1.838 33.521 31.700 -0.029 0.000 0.898 326 V N 3.996 123.875 119.914 -0.058 0.000 2.555 326 V HA 0.413 4.533 4.120 -0.000 0.000 0.302 326 V C 0.352 176.395 176.094 -0.085 0.000 1.038 326 V CA -0.599 61.662 62.300 -0.066 0.000 0.887 326 V CB 1.750 33.549 31.823 -0.040 0.000 0.991 326 V HN 0.415 nan 8.190 nan 0.000 0.434 327 I N 3.296 123.819 120.570 -0.078 0.000 2.545 327 I HA 0.435 4.605 4.170 -0.000 0.000 0.292 327 I C -0.095 176.005 176.117 -0.028 0.000 1.040 327 I CA -0.418 60.843 61.300 -0.065 0.000 1.068 327 I CB 2.142 40.097 38.000 -0.076 0.000 1.251 327 I HN 0.747 nan 8.210 nan 0.000 0.424 328 E N 4.873 125.070 120.200 -0.006 0.000 2.146 328 E HA 0.371 4.721 4.350 -0.000 0.000 0.282 328 E C -0.557 176.063 176.600 0.033 0.000 0.989 328 E CA -0.367 56.041 56.400 0.014 0.000 0.799 328 E CB 1.169 30.882 29.700 0.021 0.000 1.088 328 E HN 0.695 nan 8.360 nan 0.000 0.397 329 T N 1.966 116.545 114.554 0.043 0.000 2.902 329 T HA 0.322 4.672 4.350 -0.000 0.000 0.280 329 T C -0.039 174.697 174.700 0.059 0.000 0.992 329 T CA -1.005 61.131 62.100 0.061 0.000 1.015 329 T CB 1.521 70.437 68.868 0.080 0.000 1.044 329 T HN 0.319 nan 8.240 nan 0.000 0.520 330 Q N 0.534 120.374 119.800 0.066 0.000 2.333 330 Q HA 0.542 4.882 4.340 -0.000 0.000 0.265 330 Q C 0.414 176.449 176.000 0.058 0.000 0.989 330 Q CA -0.213 55.627 55.803 0.060 0.000 0.842 330 Q CB 1.248 30.026 28.738 0.067 0.000 1.262 330 Q HN 1.220 nan 8.270 nan 0.000 0.451 331 A N 2.339 125.189 122.820 0.051 0.000 2.704 331 A HA -0.159 4.161 4.320 -0.000 0.000 0.299 331 A C 1.150 178.765 177.584 0.053 0.000 1.507 331 A CA 1.468 53.534 52.037 0.049 0.000 0.776 331 A CB -2.116 16.911 19.000 0.044 0.000 1.027 331 A HN 1.566 nan 8.150 nan 0.000 0.475 332 G N -1.171 107.665 108.800 0.060 0.000 2.155 332 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.257 332 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.257 332 G C -0.018 174.924 174.900 0.070 0.000 0.983 332 G CA 0.988 46.129 45.100 0.067 0.000 0.676 332 G HN 1.591 nan 8.290 nan 0.000 0.528 333 D N 0.781 121.224 120.400 0.071 0.000 2.470 333 D HA 0.365 5.005 4.640 -0.000 0.000 0.226 333 D C 1.897 178.253 176.300 0.095 0.000 1.196 333 D CA 0.259 54.303 54.000 0.073 0.000 0.979 333 D CB 0.506 41.347 40.800 0.070 0.000 1.059 333 D HN 0.580 nan 8.370 nan 0.000 0.515 334 V N 1.178 121.157 119.914 0.108 0.000 3.305 334 V HA 0.011 4.131 4.120 -0.000 0.000 0.269 334 V C 1.271 177.445 176.094 0.133 0.000 1.157 334 V CA 0.802 63.195 62.300 0.156 0.000 1.157 334 V CB -0.201 31.762 31.823 0.234 0.000 0.772 334 V HN 0.294 nan 8.190 nan 0.000 0.498 335 S N 0.405 116.165 115.700 0.101 0.000 2.554 335 S HA 0.647 5.117 4.470 -0.000 0.000 0.226 335 S C 1.136 175.797 174.600 0.102 0.000 0.980 335 S CA 0.203 58.459 58.200 0.093 0.000 0.939 335 S CB 0.181 63.419 63.200 0.064 0.000 0.832 335 S HN 0.880 nan 8.310 nan 0.000 0.486 336 A N 0.591 123.480 122.820 0.114 0.000 2.409 336 A HA 0.312 4.632 4.320 -0.000 0.000 0.246 336 A C 0.813 178.516 177.584 0.198 0.000 1.099 336 A CA -0.041 52.081 52.037 0.142 0.000 0.789 336 A CB -0.146 18.935 19.000 0.136 0.000 1.053 336 A HN 0.520 nan 8.150 nan 0.000 0.503 337 Y N -0.151 120.181 120.300 0.053 0.000 2.089 337 Y HA -0.208 4.342 4.550 -0.000 0.000 0.282 337 Y C 1.893 177.784 175.900 -0.014 0.000 1.139 337 Y CA 1.654 59.770 58.100 0.026 0.000 1.123 337 Y CB -0.022 38.460 38.460 0.037 0.000 0.980 337 Y HN 0.507 nan 8.280 nan 0.000 0.493 338 I N 0.488 121.019 120.570 -0.064 0.000 2.252 338 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 338 I C -0.718 175.396 176.117 -0.005 0.000 1.102 338 I CA 0.977 62.177 61.300 -0.166 0.000 1.385 338 I CB -2.855 34.991 38.000 -0.256 0.000 1.064 338 I HN 0.197 nan 8.210 nan 0.000 0.414 339 P HA -0.123 nan 4.420 nan 0.000 0.215 339 P C 1.846 179.206 177.300 0.099 0.000 1.157 339 P CA 1.855 64.991 63.100 0.061 0.000 0.874 339 P CB -0.180 31.573 31.700 0.088 0.000 0.790 340 T N -0.411 114.229 114.554 0.142 0.000 2.665 340 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 340 T C 1.591 176.412 174.700 0.201 0.000 1.035 340 T CA 1.739 63.941 62.100 0.169 0.000 1.151 340 T CB -1.056 67.925 68.868 0.189 0.000 0.862 340 T HN 0.127 nan 8.240 nan 0.000 0.438 341 N N 0.925 119.766 118.700 0.234 0.000 2.025 341 N HA -0.087 4.653 4.740 -0.000 0.000 0.194 341 N C 1.991 177.611 175.510 0.183 0.000 1.044 341 N CA 1.079 54.329 53.050 0.333 0.000 0.851 341 N CB -0.948 37.703 38.487 0.273 0.000 1.036 341 N HN 0.246 nan 8.380 nan 0.000 0.422 342 V N 1.452 121.399 119.914 0.056 0.000 2.548 342 V HA -0.078 4.042 4.120 -0.000 0.000 0.249 342 V C 2.281 178.371 176.094 -0.007 0.000 1.055 342 V CA 0.805 63.079 62.300 -0.042 0.000 1.065 342 V CB -0.432 31.305 31.823 -0.143 0.000 0.681 342 V HN 0.205 nan 8.190 nan 0.000 0.462 343 I N 0.323 120.917 120.570 0.039 0.000 2.163 343 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 343 I C 2.763 178.933 176.117 0.089 0.000 1.085 343 I CA 2.049 63.384 61.300 0.059 0.000 1.347 343 I CB -0.407 37.667 38.000 0.123 0.000 1.044 343 I HN 0.358 nan 8.210 nan 0.000 0.408 344 S N 0.855 116.640 115.700 0.140 0.000 2.368 344 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 344 S C 2.057 176.753 174.600 0.159 0.000 1.030 344 S CA 1.269 59.571 58.200 0.170 0.000 0.999 344 S CB -0.350 62.998 63.200 0.246 0.000 0.844 344 S HN 0.322 nan 8.310 nan 0.000 0.459 345 I N 1.502 122.155 120.570 0.138 0.000 2.226 345 I HA -0.106 4.064 4.170 -0.000 0.000 0.245 345 I C 1.469 177.600 176.117 0.024 0.000 1.100 345 I CA 1.094 62.426 61.300 0.052 0.000 1.374 345 I CB -0.822 37.116 38.000 -0.105 0.000 1.057 345 I HN 0.441 nan 8.210 nan 0.000 0.413 346 T N -2.018 112.540 114.554 0.007 0.000 2.788 346 T HA 0.074 4.424 4.350 -0.000 0.000 0.287 346 T C 0.581 175.288 174.700 0.011 0.000 1.007 346 T CA -0.596 61.500 62.100 -0.008 0.000 1.005 346 T CB 0.877 69.723 68.868 -0.037 0.000 1.012 346 T HN 0.055 nan 8.240 nan 0.000 0.530 347 D N 0.271 120.673 120.400 0.004 0.000 2.349 347 D HA 0.300 4.940 4.640 -0.000 0.000 0.224 347 D C 0.982 177.289 176.300 0.013 0.000 1.029 347 D CA 0.606 54.613 54.000 0.012 0.000 0.879 347 D CB 0.051 40.855 40.800 0.006 0.000 0.906 347 D HN 0.908 nan 8.370 nan 0.000 0.528 348 G N -0.066 108.734 108.800 0.001 0.000 2.328 348 G HA2 0.331 4.291 3.960 -0.000 0.000 0.299 348 G HA3 0.331 4.291 3.960 -0.000 0.000 0.299 348 G C -1.919 172.947 174.900 -0.057 0.000 1.435 348 G CA -0.865 44.236 45.100 0.001 0.000 0.865 348 G HN -0.057 nan 8.290 nan 0.000 0.601 349 Q N -0.751 118.997 119.800 -0.087 0.000 2.315 349 Q HA 0.661 5.001 4.340 -0.000 0.000 0.273 349 Q C -0.631 175.206 176.000 -0.271 0.000 1.053 349 Q CA -0.468 55.151 55.803 -0.308 0.000 0.817 349 Q CB 2.760 31.089 28.738 -0.681 0.000 1.326 349 Q HN 0.592 nan 8.270 nan 0.000 0.423 350 I N 2.808 123.208 120.570 -0.284 0.000 2.306 350 I HA 0.338 4.508 4.170 -0.000 0.000 0.288 350 I C -0.847 175.143 176.117 -0.212 0.000 1.036 350 I CA -0.412 60.803 61.300 -0.141 0.000 1.221 350 I CB 0.316 38.277 38.000 -0.064 0.000 1.385 350 I HN 0.461 nan 8.210 nan 0.000 0.472 351 F N 6.788 126.750 119.950 0.019 0.000 2.424 351 F HA 0.426 4.953 4.527 -0.000 0.000 0.356 351 F C 0.216 176.031 175.800 0.025 0.000 1.110 351 F CA -0.349 57.664 58.000 0.021 0.000 1.161 351 F CB 0.662 39.675 39.000 0.022 0.000 1.115 351 F HN 0.185 nan 8.300 nan 0.000 0.507 352 L N 3.616 124.942 121.223 0.172 0.000 2.331 352 L HA 0.598 4.938 4.340 -0.000 0.000 0.275 352 L C -0.528 176.415 176.870 0.122 0.000 1.022 352 L CA -0.762 54.152 54.840 0.122 0.000 0.812 352 L CB 1.909 44.011 42.059 0.072 0.000 1.257 352 L HN 0.571 nan 8.230 nan 0.000 0.435 353 E N 0.284 120.551 120.200 0.111 0.000 2.314 353 E HA 0.257 4.607 4.350 -0.000 0.000 0.272 353 E C -0.257 176.406 176.600 0.105 0.000 0.884 353 E CA -0.488 55.973 56.400 0.100 0.000 0.753 353 E CB 2.514 32.272 29.700 0.096 0.000 1.213 353 E HN 0.534 nan 8.360 nan 0.000 0.432 354 T N 1.249 115.861 114.554 0.096 0.000 2.777 354 T HA -0.135 4.214 4.350 -0.000 0.000 0.266 354 T C 1.252 176.088 174.700 0.228 0.000 1.040 354 T CA 1.246 63.420 62.100 0.125 0.000 1.141 354 T CB 0.014 68.971 68.868 0.148 0.000 0.868 354 T HN 0.429 nan 8.240 nan 0.000 0.444 355 E N 0.841 121.155 120.200 0.190 0.000 2.106 355 E HA -0.034 4.315 4.350 -0.000 0.000 0.192 355 E C 2.262 178.961 176.600 0.165 0.000 0.984 355 E CA 0.722 57.236 56.400 0.191 0.000 0.806 355 E CB -0.288 29.488 29.700 0.128 0.000 0.750 355 E HN 0.435 nan 8.360 nan 0.000 0.458 356 L N 0.172 121.472 121.223 0.129 0.000 2.012 356 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 356 L C 2.479 179.397 176.870 0.081 0.000 1.073 356 L CA 1.219 56.117 54.840 0.097 0.000 0.748 356 L CB -0.541 41.571 42.059 0.087 0.000 0.891 356 L HN 0.122 nan 8.230 nan 0.000 0.431 357 F N 0.083 119.986 119.950 -0.077 0.000 2.065 357 F HA -0.326 4.200 4.527 -0.000 0.000 0.298 357 F C 2.331 177.990 175.800 -0.235 0.000 1.112 357 F CA 1.830 59.699 58.000 -0.219 0.000 1.212 357 F CB -0.371 38.389 39.000 -0.399 0.000 0.975 357 F HN -0.061 nan 8.300 nan 0.000 0.476 358 Y N -0.355 120.102 120.300 0.262 0.000 2.457 358 Y HA -0.037 4.513 4.550 -0.000 0.000 0.292 358 Y C 2.158 178.090 175.900 0.053 0.000 1.125 358 Y CA 0.657 58.850 58.100 0.156 0.000 1.254 358 Y CB -0.286 38.285 38.460 0.186 0.000 1.012 358 Y HN -0.041 nan 8.280 nan 0.000 0.555 359 K N -0.433 120.062 120.400 0.159 0.000 2.365 359 K HA 0.004 4.324 4.320 -0.000 0.000 0.199 359 K C 1.390 178.008 176.600 0.029 0.000 1.045 359 K CA 0.893 57.234 56.287 0.091 0.000 0.962 359 K CB -0.105 32.444 32.500 0.081 0.000 0.759 359 K HN 0.469 nan 8.250 nan 0.000 0.469 360 G N 0.692 109.468 108.800 -0.040 0.000 2.184 360 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.206 360 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.206 360 G C -0.012 174.816 174.900 -0.120 0.000 0.995 360 G CA -0.500 44.541 45.100 -0.098 0.000 0.651 360 G HN 0.088 nan 8.290 nan 0.000 0.511 361 I N 2.129 122.645 120.570 -0.091 0.000 2.372 361 I HA 0.354 4.524 4.170 -0.000 0.000 0.298 361 I C 0.669 176.708 176.117 -0.130 0.000 1.137 361 I CA 0.366 61.625 61.300 -0.068 0.000 1.314 361 I CB -0.459 37.539 38.000 -0.005 0.000 1.444 361 I HN 0.151 nan 8.210 nan 0.000 0.541 362 R N 7.453 127.856 120.500 -0.160 0.000 2.514 362 R HA 0.395 4.735 4.340 -0.000 0.000 0.296 362 R C -2.590 173.649 176.300 -0.101 0.000 1.012 362 R CA -1.656 54.330 56.100 -0.189 0.000 0.897 362 R CB 2.469 32.538 30.300 -0.385 0.000 1.184 362 R HN 0.270 nan 8.270 nan 0.000 0.440 363 P HA -0.022 nan 4.420 nan 0.000 0.268 363 P C -0.207 177.104 177.300 0.019 0.000 1.205 363 P CA -0.025 63.071 63.100 -0.006 0.000 0.771 363 P CB 0.903 32.605 31.700 0.004 0.000 0.858 364 A N 4.518 127.385 122.820 0.079 0.000 2.916 364 A HA 0.165 4.485 4.320 -0.000 0.000 0.254 364 A C 0.778 178.417 177.584 0.092 0.000 1.544 364 A CA -0.338 51.758 52.037 0.099 0.000 1.224 364 A CB -1.445 17.677 19.000 0.203 0.000 1.012 364 A HN 0.492 nan 8.150 nan 0.000 0.636 365 I N 1.184 121.797 120.570 0.072 0.000 2.452 365 I HA 0.014 4.184 4.170 -0.000 0.000 0.287 365 I C 0.560 176.731 176.117 0.090 0.000 1.079 365 I CA -0.379 60.972 61.300 0.085 0.000 1.387 365 I CB 0.518 38.557 38.000 0.066 0.000 1.404 365 I HN 0.305 nan 8.210 nan 0.000 0.522 366 N N 6.833 125.603 118.700 0.117 0.000 2.421 366 N HA 0.041 4.780 4.740 -0.000 0.000 0.260 366 N C 0.731 176.299 175.510 0.098 0.000 1.173 366 N CA 0.121 53.227 53.050 0.093 0.000 0.960 366 N CB 1.201 39.732 38.487 0.074 0.000 1.273 366 N HN 0.434 nan 8.380 nan 0.000 0.497 367 V N 3.691 123.650 119.914 0.075 0.000 2.427 367 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 367 V C 2.348 178.478 176.094 0.059 0.000 1.051 367 V CA 2.143 64.486 62.300 0.071 0.000 1.048 367 V CB -0.912 30.946 31.823 0.059 0.000 0.666 367 V HN 0.751 nan 8.190 nan 0.000 0.456 368 G N -0.277 108.545 108.800 0.037 0.000 2.440 368 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 368 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 368 G C 1.555 176.451 174.900 -0.006 0.000 1.154 368 G CA 1.045 46.151 45.100 0.010 0.000 0.767 368 G HN 0.482 nan 8.290 nan 0.000 0.552 369 L N 0.541 121.746 121.223 -0.029 0.000 2.307 369 L HA 0.148 4.488 4.340 -0.000 0.000 0.211 369 L C 1.189 178.109 176.870 0.083 0.000 1.099 369 L CA -0.155 54.613 54.840 -0.120 0.000 0.816 369 L CB -0.131 41.681 42.059 -0.411 0.000 0.952 369 L HN 0.039 nan 8.230 nan 0.000 0.455 370 S N -0.036 115.819 115.700 0.258 0.000 2.572 370 S HA 0.280 4.750 4.470 -0.000 0.000 0.279 370 S C -0.249 174.476 174.600 0.207 0.000 1.341 370 S CA -0.141 58.283 58.200 0.373 0.000 1.043 370 S CB 2.012 65.356 63.200 0.240 0.000 0.887 370 S HN 0.048 nan 8.310 nan 0.000 0.516 371 V N 1.824 121.848 119.914 0.184 0.000 3.087 371 V HA 0.780 4.900 4.120 -0.000 0.000 0.306 371 V C -1.135 174.998 176.094 0.066 0.000 1.187 371 V CA -0.488 61.879 62.300 0.112 0.000 0.999 371 V CB 2.575 34.471 31.823 0.122 0.000 1.049 371 V HN 0.829 nan 8.190 nan 0.000 0.431 372 S N 4.855 120.582 115.700 0.046 0.000 2.779 372 S HA 0.509 4.979 4.470 -0.000 0.000 0.293 372 S C 0.532 175.147 174.600 0.026 0.000 1.150 372 S CA -0.615 57.601 58.200 0.027 0.000 1.057 372 S CB 1.432 64.642 63.200 0.017 0.000 1.021 372 S HN 0.786 nan 8.310 nan 0.000 0.485 373 R N 2.812 123.328 120.500 0.026 0.000 2.189 373 R HA 0.003 4.343 4.340 -0.000 0.000 0.223 373 R C 1.661 177.971 176.300 0.017 0.000 1.092 373 R CA 1.179 57.294 56.100 0.024 0.000 0.989 373 R CB -0.269 30.048 30.300 0.027 0.000 0.876 373 R HN 0.551 nan 8.270 nan 0.000 0.457 374 V N 0.201 120.122 119.914 0.011 0.000 2.379 374 V HA -0.036 4.084 4.120 -0.000 0.000 0.245 374 V C 1.675 177.772 176.094 0.005 0.000 1.044 374 V CA 1.590 63.893 62.300 0.006 0.000 1.036 374 V CB -0.865 30.957 31.823 -0.000 0.000 0.664 374 V HN 0.691 nan 8.190 nan 0.000 0.453 375 G N 0.219 109.023 108.800 0.007 0.000 2.574 375 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.286 375 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.286 375 G C 1.027 175.928 174.900 0.002 0.000 1.212 375 G CA 0.497 45.602 45.100 0.008 0.000 0.979 375 G HN 0.362 nan 8.290 nan 0.000 0.557 376 S N 0.652 116.354 115.700 0.003 0.000 2.402 376 S HA -0.040 4.430 4.470 -0.000 0.000 0.233 376 S C 2.772 177.369 174.600 -0.005 0.000 1.030 376 S CA 2.218 60.418 58.200 0.000 0.000 1.003 376 S CB -0.652 62.549 63.200 0.003 0.000 0.813 376 S HN 1.702 nan 8.310 nan 0.000 0.477 377 A N 0.831 123.647 122.820 -0.006 0.000 2.076 377 A HA 0.123 4.443 4.320 -0.000 0.000 0.220 377 A C 1.957 179.529 177.584 -0.019 0.000 1.160 377 A CA 1.507 53.538 52.037 -0.010 0.000 0.653 377 A CB -0.536 18.460 19.000 -0.007 0.000 0.801 377 A HN 0.525 nan 8.150 nan 0.000 0.455 378 A N -1.388 121.419 122.820 -0.020 0.000 2.379 378 A HA 0.362 4.682 4.320 -0.000 0.000 0.236 378 A C 0.618 178.181 177.584 -0.035 0.000 1.272 378 A CA -0.211 51.807 52.037 -0.032 0.000 0.886 378 A CB 0.022 19.005 19.000 -0.029 0.000 0.962 378 A HN 0.584 nan 8.150 nan 0.000 0.504 379 Q N 0.669 120.454 119.800 -0.026 0.000 2.342 379 Q HA 0.421 4.761 4.340 -0.000 0.000 0.267 379 Q C -0.239 175.747 176.000 -0.023 0.000 1.038 379 Q CA -0.603 55.188 55.803 -0.021 0.000 0.832 379 Q CB 1.907 30.640 28.738 -0.008 0.000 1.323 379 Q HN 0.469 nan 8.270 nan 0.000 0.448 380 T N -1.188 113.352 114.554 -0.023 0.000 2.802 380 T HA 0.154 4.504 4.350 -0.000 0.000 0.305 380 T C 1.032 175.726 174.700 -0.010 0.000 1.053 380 T CA -0.363 61.724 62.100 -0.021 0.000 1.058 380 T CB 0.975 69.831 68.868 -0.020 0.000 0.988 380 T HN 0.595 nan 8.240 nan 0.000 0.539 381 R N 0.873 121.368 120.500 -0.009 0.000 2.096 381 R HA -0.123 4.217 4.340 -0.000 0.000 0.240 381 R C 2.835 179.138 176.300 0.004 0.000 1.139 381 R CA 1.564 57.662 56.100 -0.002 0.000 0.952 381 R CB -1.013 29.285 30.300 -0.003 0.000 0.854 381 R HN 0.863 nan 8.270 nan 0.000 0.436 382 A N 0.745 123.566 122.820 0.003 0.000 1.892 382 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 382 A C 2.092 179.686 177.584 0.017 0.000 1.188 382 A CA 1.833 53.876 52.037 0.009 0.000 0.631 382 A CB -0.450 18.552 19.000 0.003 0.000 0.822 382 A HN 0.278 nan 8.150 nan 0.000 0.447 383 M N -0.421 119.187 119.600 0.014 0.000 2.156 383 M HA 0.009 4.489 4.480 -0.000 0.000 0.264 383 M C 1.829 178.140 176.300 0.018 0.000 1.067 383 M CA 1.809 57.120 55.300 0.018 0.000 1.131 383 M CB -0.526 32.082 32.600 0.013 0.000 1.368 383 M HN 0.364 nan 8.290 nan 0.000 0.416 384 K N -0.123 120.284 120.400 0.012 0.000 2.152 384 K HA -0.221 4.099 4.320 -0.000 0.000 0.206 384 K C 1.843 178.453 176.600 0.016 0.000 1.048 384 K CA 1.743 58.036 56.287 0.011 0.000 0.933 384 K CB -0.134 32.370 32.500 0.006 0.000 0.721 384 K HN 0.722 nan 8.250 nan 0.000 0.447 385 Q N -0.187 119.626 119.800 0.022 0.000 2.472 385 Q HA -0.054 4.286 4.340 -0.000 0.000 0.208 385 Q C 1.312 177.335 176.000 0.038 0.000 0.958 385 Q CA 1.019 56.839 55.803 0.029 0.000 0.932 385 Q CB 0.386 29.144 28.738 0.033 0.000 1.007 385 Q HN 0.224 nan 8.270 nan 0.000 0.508 386 V N -5.162 114.775 119.914 0.039 0.000 3.431 386 V HA 0.491 4.611 4.120 -0.000 0.000 0.255 386 V C 2.002 178.112 176.094 0.026 0.000 1.403 386 V CA 0.329 62.655 62.300 0.043 0.000 1.101 386 V CB 0.007 31.874 31.823 0.072 0.000 0.891 386 V HN 0.215 nan 8.190 nan 0.000 0.446 387 A N 1.732 124.566 122.820 0.023 0.000 1.968 387 A HA 0.221 4.541 4.320 -0.000 0.000 0.217 387 A C 2.246 179.838 177.584 0.013 0.000 1.169 387 A CA 1.743 53.791 52.037 0.018 0.000 0.638 387 A CB -1.232 17.779 19.000 0.018 0.000 0.812 387 A HN 0.744 nan 8.150 nan 0.000 0.446 388 G N -0.479 108.328 108.800 0.012 0.000 2.446 388 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.217 388 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.217 388 G C 1.583 176.486 174.900 0.005 0.000 1.168 388 G CA 1.755 46.861 45.100 0.009 0.000 0.771 388 G HN 0.443 nan 8.290 nan 0.000 0.551 389 T N 0.848 115.402 114.554 0.001 0.000 2.737 389 T HA -0.105 4.245 4.350 -0.000 0.000 0.265 389 T C 2.301 176.994 174.700 -0.011 0.000 1.038 389 T CA 1.330 63.424 62.100 -0.009 0.000 1.144 389 T CB -0.233 68.623 68.868 -0.019 0.000 0.866 389 T HN 0.209 nan 8.240 nan 0.000 0.434 390 M N 0.902 120.497 119.600 -0.009 0.000 2.108 390 M HA -0.134 4.346 4.480 -0.000 0.000 0.261 390 M C 2.390 178.691 176.300 0.001 0.000 1.066 390 M CA 1.636 56.929 55.300 -0.011 0.000 1.107 390 M CB -0.171 32.426 32.600 -0.006 0.000 1.356 390 M HN 0.103 nan 8.290 nan 0.000 0.406 391 K N 0.082 120.487 120.400 0.009 0.000 2.032 391 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 391 K C 1.902 178.513 176.600 0.019 0.000 1.048 391 K CA 1.632 57.929 56.287 0.017 0.000 0.927 391 K CB -0.290 32.220 32.500 0.017 0.000 0.712 391 K HN 0.319 nan 8.250 nan 0.000 0.441 392 L N 1.764 122.994 121.223 0.012 0.000 2.027 392 L HA -0.122 4.218 4.340 -0.000 0.000 0.206 392 L C 1.807 178.688 176.870 0.019 0.000 1.074 392 L CA 1.786 56.634 54.840 0.013 0.000 0.745 392 L CB -0.345 41.718 42.059 0.006 0.000 0.898 392 L HN 0.199 nan 8.230 nan 0.000 0.433 393 E N -0.570 119.636 120.200 0.010 0.000 2.110 393 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 393 E C 2.272 178.902 176.600 0.050 0.000 0.988 393 E CA 1.388 57.796 56.400 0.012 0.000 0.804 393 E CB -0.220 29.466 29.700 -0.024 0.000 0.745 393 E HN 0.508 nan 8.360 nan 0.000 0.458 394 L N 0.446 121.699 121.223 0.049 0.000 2.056 394 L HA -0.138 4.201 4.340 -0.000 0.000 0.207 394 L C 2.578 179.529 176.870 0.136 0.000 1.078 394 L CA 0.848 55.757 54.840 0.114 0.000 0.749 394 L CB -0.410 41.694 42.059 0.075 0.000 0.901 394 L HN 0.140 nan 8.230 nan 0.000 0.433 395 A N -0.373 122.488 122.820 0.069 0.000 1.877 395 A HA -0.267 4.053 4.320 -0.000 0.000 0.216 395 A C 2.205 179.807 177.584 0.030 0.000 1.186 395 A CA 1.642 53.703 52.037 0.039 0.000 0.620 395 A CB -0.506 18.508 19.000 0.023 0.000 0.822 395 A HN 0.448 nan 8.150 nan 0.000 0.443 396 Q N -2.054 117.772 119.800 0.044 0.000 2.084 396 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 396 Q C 2.009 178.039 176.000 0.049 0.000 0.978 396 Q CA 1.861 57.687 55.803 0.038 0.000 0.844 396 Q CB -0.379 28.384 28.738 0.042 0.000 0.898 396 Q HN 0.854 nan 8.270 nan 0.000 0.426 397 Y N 1.090 121.366 120.300 -0.040 0.000 2.224 397 Y HA -0.191 4.359 4.550 -0.000 0.000 0.289 397 Y C 2.040 177.893 175.900 -0.079 0.000 1.146 397 Y CA 1.453 59.520 58.100 -0.055 0.000 1.182 397 Y CB -0.016 38.417 38.460 -0.046 0.000 0.983 397 Y HN -0.112 nan 8.280 nan 0.000 0.524 398 R N 0.329 120.705 120.500 -0.207 0.000 2.148 398 R HA -0.130 4.210 4.340 -0.000 0.000 0.227 398 R C 1.977 178.107 176.300 -0.284 0.000 1.103 398 R CA 1.566 57.486 56.100 -0.300 0.000 0.983 398 R CB -0.116 30.115 30.300 -0.115 0.000 0.874 398 R HN 0.556 nan 8.270 nan 0.000 0.451 399 E N -0.601 119.481 120.200 -0.197 0.000 2.347 399 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 399 E C 1.265 177.708 176.600 -0.263 0.000 1.008 399 E CA 0.886 57.188 56.400 -0.162 0.000 0.852 399 E CB 0.403 30.060 29.700 -0.072 0.000 0.783 399 E HN 0.161 nan 8.360 nan 0.000 0.505 400 V N 0.055 119.734 119.914 -0.393 0.000 3.572 400 V HA 0.137 4.257 4.120 -0.000 0.000 0.260 400 V C 1.945 177.514 176.094 -0.875 0.000 1.324 400 V CA 0.748 62.678 62.300 -0.616 0.000 1.068 400 V CB 0.614 32.295 31.823 -0.235 0.000 0.837 400 V HN 0.189 nan 8.190 nan 0.000 0.450 401 A N 0.984 123.349 122.820 -0.758 0.000 2.032 401 A HA -0.192 4.128 4.320 -0.000 0.000 0.221 401 A C 2.357 179.672 177.584 -0.449 0.000 1.165 401 A CA 2.150 53.759 52.037 -0.715 0.000 0.645 401 A CB -0.520 17.889 19.000 -0.985 0.000 0.807 401 A HN 0.611 nan 8.150 nan 0.000 0.453 402 A N -0.094 122.418 122.820 -0.512 0.000 1.940 402 A HA 0.026 4.346 4.320 -0.000 0.000 0.219 402 A C 1.136 178.646 177.584 -0.124 0.000 1.176 402 A CA 1.322 53.181 52.037 -0.297 0.000 0.631 402 A CB -0.751 18.096 19.000 -0.254 0.000 0.814 402 A HN 0.995 nan 8.150 nan 0.000 0.446 403 F N -2.807 117.159 119.950 0.027 0.000 2.550 403 F HA 0.761 5.288 4.527 -0.000 0.000 0.312 403 F C 1.016 176.898 175.800 0.138 0.000 1.256 403 F CA -0.726 57.351 58.000 0.128 0.000 1.182 403 F CB -0.455 38.597 39.000 0.087 0.000 1.383 403 F HN 0.065 nan 8.300 nan 0.000 0.541 404 A N 0.383 123.310 122.820 0.179 0.000 1.997 404 A HA 0.052 4.371 4.320 -0.000 0.000 0.212 404 A C 1.784 179.454 177.584 0.144 0.000 1.178 404 A CA 0.484 52.611 52.037 0.150 0.000 0.698 404 A CB -0.135 18.933 19.000 0.112 0.000 0.842 404 A HN 0.600 nan 8.150 nan 0.000 0.458 405 Q N -2.009 117.891 119.800 0.166 0.000 2.220 405 Q HA 0.329 4.669 4.340 -0.000 0.000 0.205 405 Q C -0.446 175.360 176.000 -0.323 0.000 0.865 405 Q CA 0.062 55.831 55.803 -0.056 0.000 0.960 405 Q CB 0.234 28.912 28.738 -0.101 0.000 1.097 405 Q HN 0.680 nan 8.270 nan 0.000 0.493 406 F N -2.126 117.888 119.950 0.107 0.000 2.974 406 F HA 0.295 4.822 4.527 -0.000 0.000 0.357 406 F C 1.089 176.946 175.800 0.095 0.000 1.114 406 F CA -0.489 57.570 58.000 0.097 0.000 1.099 406 F CB 1.450 40.519 39.000 0.114 0.000 1.205 406 F HN -0.040 nan 8.300 nan 0.000 0.535 407 G N 0.172 109.131 108.800 0.266 0.000 4.637 407 G HA2 0.241 4.201 3.960 -0.000 0.000 0.308 407 G HA3 0.241 4.201 3.960 -0.000 0.000 0.308 407 G C 0.851 175.818 174.900 0.112 0.000 1.377 407 G CA 0.297 45.515 45.100 0.197 0.000 1.176 407 G HN 0.199 nan 8.290 nan 0.000 0.601 408 S N -1.018 114.722 115.700 0.067 0.000 2.489 408 S HA -0.011 4.459 4.470 -0.000 0.000 0.228 408 S C 1.128 175.744 174.600 0.026 0.000 0.995 408 S CA 0.728 58.949 58.200 0.035 0.000 0.934 408 S CB 0.294 63.500 63.200 0.010 0.000 0.771 408 S HN 0.283 nan 8.310 nan 0.000 0.522 409 D N 1.253 121.667 120.400 0.023 0.000 2.379 409 D HA 0.223 4.863 4.640 -0.000 0.000 0.218 409 D C 0.662 176.965 176.300 0.006 0.000 1.006 409 D CA 0.066 54.071 54.000 0.009 0.000 0.893 409 D CB -0.060 40.740 40.800 -0.000 0.000 1.019 409 D HN 0.426 nan 8.370 nan 0.000 0.503 410 L N 1.823 123.050 121.223 0.008 0.000 2.483 410 L HA 0.140 4.480 4.340 -0.000 0.000 0.277 410 L C 0.646 177.528 176.870 0.020 0.000 1.248 410 L CA -0.642 54.200 54.840 0.004 0.000 0.825 410 L CB -0.201 41.858 42.059 -0.001 0.000 1.096 410 L HN -0.116 nan 8.230 nan 0.000 0.512 411 D N 0.514 120.925 120.400 0.017 0.000 2.360 411 D HA 0.132 4.772 4.640 -0.000 0.000 0.242 411 D C 1.034 177.350 176.300 0.027 0.000 1.184 411 D CA 0.154 54.165 54.000 0.018 0.000 0.930 411 D CB 1.178 41.985 40.800 0.012 0.000 1.161 411 D HN 0.801 nan 8.370 nan 0.000 0.447 412 A N 1.524 124.356 122.820 0.019 0.000 1.986 412 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 412 A C 2.246 179.844 177.584 0.023 0.000 1.171 412 A CA 2.628 54.676 52.037 0.018 0.000 0.640 412 A CB -1.039 17.966 19.000 0.009 0.000 0.811 412 A HN 0.757 nan 8.150 nan 0.000 0.451 413 A N -0.315 122.520 122.820 0.025 0.000 1.877 413 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 413 A C 2.422 180.033 177.584 0.045 0.000 1.186 413 A CA 2.518 54.571 52.037 0.028 0.000 0.620 413 A CB -1.360 17.655 19.000 0.025 0.000 0.822 413 A HN 0.777 nan 8.150 nan 0.000 0.443 414 T N -2.466 112.127 114.554 0.065 0.000 3.023 414 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 414 T C 1.780 176.545 174.700 0.107 0.000 1.093 414 T CA 1.244 63.405 62.100 0.102 0.000 1.129 414 T CB -0.247 68.711 68.868 0.149 0.000 0.899 414 T HN 0.580 nan 8.240 nan 0.000 0.491 415 Q N 0.466 120.314 119.800 0.080 0.000 2.119 415 Q HA -0.093 4.246 4.340 -0.000 0.000 0.201 415 Q C 2.469 178.499 176.000 0.050 0.000 0.972 415 Q CA 1.350 57.195 55.803 0.069 0.000 0.847 415 Q CB -0.197 28.570 28.738 0.047 0.000 0.903 415 Q HN 0.443 nan 8.270 nan 0.000 0.433 416 Q N 0.947 120.768 119.800 0.035 0.000 2.172 416 Q HA -0.074 4.265 4.340 -0.000 0.000 0.200 416 Q C 1.766 177.777 176.000 0.018 0.000 0.964 416 Q CA 1.223 57.033 55.803 0.012 0.000 0.855 416 Q CB -0.142 28.596 28.738 -0.001 0.000 0.918 416 Q HN 0.380 nan 8.270 nan 0.000 0.444 417 L N -0.460 120.793 121.223 0.050 0.000 2.046 417 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 417 L C 2.295 179.249 176.870 0.141 0.000 1.077 417 L CA 1.100 55.989 54.840 0.082 0.000 0.747 417 L CB -0.509 41.610 42.059 0.099 0.000 0.896 417 L HN 0.257 nan 8.230 nan 0.000 0.432 418 L N -1.238 120.082 121.223 0.162 0.000 2.027 418 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 418 L C 2.746 179.644 176.870 0.046 0.000 1.074 418 L CA 1.044 56.017 54.840 0.222 0.000 0.745 418 L CB -0.544 41.625 42.059 0.182 0.000 0.898 418 L HN 0.144 nan 8.230 nan 0.000 0.433 419 S N -0.374 115.332 115.700 0.010 0.000 2.359 419 S HA -0.246 4.223 4.470 -0.000 0.000 0.224 419 S C 2.064 176.599 174.600 -0.108 0.000 1.035 419 S CA 1.680 59.853 58.200 -0.044 0.000 1.018 419 S CB -0.266 62.915 63.200 -0.032 0.000 0.876 419 S HN 0.281 nan 8.310 nan 0.000 0.448 420 R N 1.422 121.856 120.500 -0.109 0.000 2.066 420 R HA -0.001 4.339 4.340 -0.000 0.000 0.232 420 R C 2.307 178.457 176.300 -0.249 0.000 1.131 420 R CA 1.968 57.979 56.100 -0.149 0.000 0.955 420 R CB -1.301 28.933 30.300 -0.110 0.000 0.851 420 R HN 0.352 nan 8.270 nan 0.000 0.432 421 G N -0.373 108.203 108.800 -0.372 0.000 2.418 421 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 421 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 421 G C 1.443 175.720 174.900 -1.040 0.000 1.158 421 G CA 0.957 45.546 45.100 -0.851 0.000 0.771 421 G HN 0.246 nan 8.290 nan 0.000 0.545 422 V N 0.514 119.963 119.914 -0.775 0.000 2.407 422 V HA -0.137 3.983 4.120 -0.000 0.000 0.248 422 V C 2.997 178.945 176.094 -0.243 0.000 1.055 422 V CA 1.975 64.036 62.300 -0.397 0.000 1.049 422 V CB -0.391 31.338 31.823 -0.155 0.000 0.662 422 V HN 0.192 nan 8.190 nan 0.000 0.455 423 R N -0.113 120.254 120.500 -0.221 0.000 2.066 423 R HA -0.018 4.322 4.340 -0.000 0.000 0.232 423 R C 2.149 178.362 176.300 -0.144 0.000 1.131 423 R CA 1.406 57.412 56.100 -0.157 0.000 0.955 423 R CB -0.731 29.477 30.300 -0.154 0.000 0.851 423 R HN 0.419 nan 8.270 nan 0.000 0.432 424 L N -0.322 120.794 121.223 -0.177 0.000 2.083 424 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 424 L C 2.011 178.820 176.870 -0.102 0.000 1.083 424 L CA 1.520 56.282 54.840 -0.130 0.000 0.752 424 L CB -0.726 41.251 42.059 -0.137 0.000 0.899 424 L HN 0.262 nan 8.230 nan 0.000 0.433 425 T N -0.877 113.592 114.554 -0.141 0.000 2.746 425 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 425 T C 1.769 176.443 174.700 -0.043 0.000 1.039 425 T CA 1.138 63.191 62.100 -0.078 0.000 1.142 425 T CB -0.115 68.704 68.868 -0.081 0.000 0.866 425 T HN 0.313 nan 8.240 nan 0.000 0.444 426 E N 1.122 121.292 120.200 -0.051 0.000 2.150 426 E HA 0.022 4.372 4.350 -0.000 0.000 0.193 426 E C 2.153 178.750 176.600 -0.005 0.000 0.985 426 E CA 0.635 57.022 56.400 -0.022 0.000 0.814 426 E CB -0.320 29.369 29.700 -0.019 0.000 0.752 426 E HN 0.488 nan 8.360 nan 0.000 0.466 427 L N 0.371 121.588 121.223 -0.010 0.000 2.465 427 L HA -0.034 4.306 4.340 -0.000 0.000 0.224 427 L C 2.106 178.983 176.870 0.013 0.000 1.145 427 L CA 0.293 55.141 54.840 0.014 0.000 0.834 427 L CB -0.135 41.929 42.059 0.010 0.000 0.944 427 L HN 0.041 nan 8.230 nan 0.000 0.451 428 L N -0.815 120.408 121.223 0.000 0.000 2.567 428 L HA 0.060 4.400 4.340 -0.000 0.000 0.225 428 L C 0.781 177.649 176.870 -0.003 0.000 1.119 428 L CA 0.088 54.930 54.840 0.003 0.000 0.871 428 L CB -0.084 41.978 42.059 0.004 0.000 1.036 428 L HN 0.119 nan 8.230 nan 0.000 0.459 429 K N 1.235 121.630 120.400 -0.008 0.000 2.295 429 K HA 0.254 4.574 4.320 -0.000 0.000 0.270 429 K C -0.226 176.363 176.600 -0.019 0.000 1.011 429 K CA 0.191 56.465 56.287 -0.022 0.000 0.953 429 K CB 0.849 33.335 32.500 -0.024 0.000 0.956 429 K HN -0.027 nan 8.250 nan 0.000 0.477 430 Q N 0.349 120.127 119.800 -0.038 0.000 2.320 430 Q HA 0.305 4.645 4.340 -0.000 0.000 0.272 430 Q C -0.757 175.204 176.000 -0.066 0.000 1.023 430 Q CA -0.593 55.186 55.803 -0.039 0.000 0.855 430 Q CB 1.853 30.572 28.738 -0.033 0.000 1.367 430 Q HN 0.812 nan 8.270 nan 0.000 0.406 431 G N 1.614 110.377 108.800 -0.062 0.000 2.651 431 G HA2 0.169 4.129 3.960 -0.000 0.000 0.260 431 G HA3 0.169 4.129 3.960 -0.000 0.000 0.260 431 G C -0.497 174.317 174.900 -0.143 0.000 1.216 431 G CA -0.166 44.881 45.100 -0.087 0.000 0.913 431 G HN 0.590 nan 8.290 nan 0.000 0.535 432 Q N -1.436 118.216 119.800 -0.248 0.000 2.256 432 Q HA 0.340 4.680 4.340 -0.000 0.000 0.232 432 Q C -0.400 175.379 176.000 -0.369 0.000 0.965 432 Q CA -0.428 55.065 55.803 -0.517 0.000 0.908 432 Q CB 0.927 29.004 28.738 -1.102 0.000 1.209 432 Q HN 0.661 nan 8.270 nan 0.000 0.489 433 Y N -1.501 118.796 120.300 -0.006 0.000 4.798 433 Y HA -0.275 4.274 4.550 -0.000 0.000 0.237 433 Y C 0.016 175.905 175.900 -0.018 0.000 1.017 433 Y CA 0.427 58.520 58.100 -0.013 0.000 2.010 433 Y CB -2.076 36.375 38.460 -0.015 0.000 1.582 433 Y HN 0.490 nan 8.280 nan 0.000 0.621 434 S N -0.847 114.888 115.700 0.058 0.000 2.235 434 S HA 0.411 4.881 4.470 -0.000 0.000 0.152 434 S C -2.306 172.291 174.600 -0.005 0.000 1.649 434 S CA -1.126 57.089 58.200 0.025 0.000 1.277 434 S CB 1.240 64.449 63.200 0.015 0.000 1.299 434 S HN 0.086 nan 8.310 nan 0.000 0.388 435 P HA 0.278 nan 4.420 nan 0.000 0.271 435 P C -0.626 176.656 177.300 -0.029 0.000 1.218 435 P CA -0.219 62.873 63.100 -0.012 0.000 0.780 435 P CB 0.575 32.273 31.700 -0.003 0.000 0.901 436 M N 1.359 120.945 119.600 -0.024 0.000 2.404 436 M HA 0.487 4.967 4.480 -0.000 0.000 0.338 436 M C 0.517 176.798 176.300 -0.032 0.000 1.150 436 M CA -0.821 54.460 55.300 -0.032 0.000 1.016 436 M CB 1.891 34.479 32.600 -0.020 0.000 1.672 436 M HN 0.350 nan 8.290 nan 0.000 0.448 437 A N 1.701 124.489 122.820 -0.052 0.000 2.466 437 A HA 0.125 4.445 4.320 -0.000 0.000 0.238 437 A C 0.991 178.573 177.584 -0.003 0.000 1.074 437 A CA -0.261 51.753 52.037 -0.039 0.000 0.774 437 A CB 0.042 19.004 19.000 -0.063 0.000 1.015 437 A HN 0.947 nan 8.150 nan 0.000 0.498 438 I N 0.784 121.371 120.570 0.029 0.000 2.208 438 I HA -0.222 3.947 4.170 -0.000 0.000 0.245 438 I C 2.571 178.695 176.117 0.011 0.000 1.097 438 I CA 2.277 63.595 61.300 0.029 0.000 1.363 438 I CB -0.330 37.695 38.000 0.042 0.000 1.051 438 I HN 0.861 nan 8.210 nan 0.000 0.413 439 E N 0.345 120.543 120.200 -0.003 0.000 2.153 439 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 439 E C 1.760 178.344 176.600 -0.025 0.000 0.988 439 E CA 1.696 58.085 56.400 -0.020 0.000 0.811 439 E CB -0.717 28.962 29.700 -0.035 0.000 0.746 439 E HN 0.643 nan 8.360 nan 0.000 0.466 440 E N 0.867 121.048 120.200 -0.031 0.000 2.107 440 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 440 E C 2.351 178.956 176.600 0.008 0.000 0.982 440 E CA 0.833 57.211 56.400 -0.037 0.000 0.809 440 E CB -0.053 29.612 29.700 -0.059 0.000 0.756 440 E HN 0.371 nan 8.360 nan 0.000 0.459 441 Q N 0.421 120.230 119.800 0.015 0.000 2.030 441 Q HA -0.164 4.175 4.340 -0.000 0.000 0.204 441 Q C 2.628 178.664 176.000 0.060 0.000 0.986 441 Q CA 2.087 57.911 55.803 0.036 0.000 0.843 441 Q CB -0.314 28.441 28.738 0.028 0.000 0.904 441 Q HN 0.334 nan 8.270 nan 0.000 0.420 442 V N -1.942 118.003 119.914 0.052 0.000 2.515 442 V HA -0.101 4.019 4.120 -0.000 0.000 0.250 442 V C 2.127 178.293 176.094 0.120 0.000 1.058 442 V CA 1.613 63.957 62.300 0.074 0.000 1.064 442 V CB -1.117 30.735 31.823 0.048 0.000 0.675 442 V HN 0.280 nan 8.190 nan 0.000 0.461 443 A N 0.323 123.199 122.820 0.093 0.000 1.930 443 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 443 A C 2.352 180.124 177.584 0.314 0.000 1.175 443 A CA 2.100 54.222 52.037 0.142 0.000 0.627 443 A CB -0.725 18.314 19.000 0.066 0.000 0.815 443 A HN 0.462 nan 8.150 nan 0.000 0.443 444 V N 0.014 120.080 119.914 0.254 0.000 2.407 444 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 444 V C 2.349 178.550 176.094 0.177 0.000 1.041 444 V CA 1.785 64.235 62.300 0.250 0.000 1.040 444 V CB -0.572 31.361 31.823 0.185 0.000 0.671 444 V HN 0.566 nan 8.190 nan 0.000 0.455 445 I N -0.644 120.013 120.570 0.145 0.000 2.394 445 I HA -0.256 3.914 4.170 -0.000 0.000 0.251 445 I C 2.393 178.577 176.117 0.112 0.000 1.136 445 I CA 1.745 63.103 61.300 0.097 0.000 1.425 445 I CB -0.463 37.581 38.000 0.073 0.000 1.079 445 I HN 0.428 nan 8.210 nan 0.000 0.425 446 Y N 2.078 122.408 120.300 0.051 0.000 2.145 446 Y HA -0.303 4.247 4.550 -0.000 0.000 0.286 446 Y C 2.563 178.512 175.900 0.083 0.000 1.145 446 Y CA 1.592 59.730 58.100 0.063 0.000 1.148 446 Y CB -0.360 38.156 38.460 0.093 0.000 0.981 446 Y HN 0.086 nan 8.280 nan 0.000 0.507 447 A N 0.474 123.381 122.820 0.145 0.000 1.940 447 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 447 A C 2.409 179.933 177.584 -0.101 0.000 1.176 447 A CA 1.882 53.954 52.037 0.059 0.000 0.631 447 A CB -1.724 17.309 19.000 0.055 0.000 0.814 447 A HN 0.662 nan 8.150 nan 0.000 0.446 448 G N -1.106 107.636 108.800 -0.097 0.000 2.395 448 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.214 448 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.214 448 G C 1.460 176.243 174.900 -0.195 0.000 1.177 448 G CA 1.045 46.062 45.100 -0.138 0.000 0.794 448 G HN 0.301 nan 8.290 nan 0.000 0.532 449 V N 0.381 120.183 119.914 -0.186 0.000 2.667 449 V HA 0.008 4.128 4.120 -0.000 0.000 0.252 449 V C 2.636 178.554 176.094 -0.293 0.000 1.065 449 V CA 1.190 63.377 62.300 -0.189 0.000 1.083 449 V CB -0.294 31.462 31.823 -0.111 0.000 0.692 449 V HN 0.263 nan 8.190 nan 0.000 0.468 450 R N -0.381 119.832 120.500 -0.479 0.000 2.313 450 R HA 0.174 4.514 4.340 -0.000 0.000 0.199 450 R C 1.677 177.471 176.300 -0.842 0.000 0.958 450 R CA 0.681 56.364 56.100 -0.693 0.000 1.047 450 R CB 0.178 29.902 30.300 -0.959 0.000 0.955 450 R HN 0.589 nan 8.270 nan 0.000 0.481 451 G N 0.060 108.504 108.800 -0.593 0.000 2.175 451 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.244 451 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.244 451 G C 0.555 175.246 174.900 -0.348 0.000 0.982 451 G CA 0.131 44.981 45.100 -0.417 0.000 0.641 451 G HN 0.455 nan 8.290 nan 0.000 0.527 452 Y N 0.145 120.324 120.300 -0.202 0.000 2.384 452 Y HA 0.149 4.699 4.550 -0.000 0.000 0.289 452 Y C 2.536 178.305 175.900 -0.219 0.000 1.152 452 Y CA 1.177 59.166 58.100 -0.186 0.000 1.258 452 Y CB -0.042 38.306 38.460 -0.185 0.000 0.979 452 Y HN 0.354 nan 8.280 nan 0.000 0.549 453 L N -0.443 120.695 121.223 -0.141 0.000 2.728 453 L HA 0.064 4.404 4.340 -0.000 0.000 0.238 453 L C 0.763 177.533 176.870 -0.168 0.000 1.143 453 L CA -0.103 54.600 54.840 -0.229 0.000 0.937 453 L CB 0.024 41.888 42.059 -0.325 0.000 1.225 453 L HN 0.081 nan 8.230 nan 0.000 0.507 454 D N 0.853 121.172 120.400 -0.135 0.000 2.264 454 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 454 D C 1.780 178.031 176.300 -0.081 0.000 0.966 454 D CA 1.132 55.065 54.000 -0.110 0.000 0.864 454 D CB 0.329 41.064 40.800 -0.108 0.000 0.933 454 D HN 0.119 nan 8.370 nan 0.000 0.499 455 K N -0.344 120.013 120.400 -0.072 0.000 2.352 455 K HA 0.143 4.463 4.320 -0.000 0.000 0.194 455 K C 0.339 176.911 176.600 -0.047 0.000 1.038 455 K CA -0.275 55.983 56.287 -0.048 0.000 1.023 455 K CB 0.287 32.768 32.500 -0.032 0.000 0.840 455 K HN 0.016 nan 8.250 nan 0.000 0.519 456 L N 1.897 123.077 121.223 -0.072 0.000 2.416 456 L HA 0.127 4.467 4.340 -0.000 0.000 0.272 456 L C -0.181 176.668 176.870 -0.036 0.000 1.161 456 L CA -0.323 54.482 54.840 -0.057 0.000 0.845 456 L CB 0.707 42.689 42.059 -0.127 0.000 1.119 456 L HN 0.033 nan 8.230 nan 0.000 0.464 457 E N 7.617 127.817 120.200 -0.000 0.000 2.498 457 E HA 0.025 4.375 4.350 -0.000 0.000 0.252 457 E C -1.822 174.786 176.600 0.014 0.000 1.025 457 E CA -1.091 55.314 56.400 0.008 0.000 0.938 457 E CB 0.645 30.358 29.700 0.020 0.000 0.947 457 E HN 0.463 nan 8.360 nan 0.000 0.478 458 P HA -0.277 nan 4.420 nan 0.000 0.218 458 P C 0.887 178.201 177.300 0.022 0.000 1.154 458 P CA 1.906 65.002 63.100 -0.006 0.000 0.872 458 P CB -0.097 31.596 31.700 -0.012 0.000 0.790 459 S N -1.193 114.527 115.700 0.034 0.000 2.555 459 S HA -0.014 4.456 4.470 -0.000 0.000 0.230 459 S C 1.582 176.235 174.600 0.088 0.000 0.978 459 S CA 0.611 58.840 58.200 0.049 0.000 0.934 459 S CB -0.711 62.512 63.200 0.038 0.000 0.766 459 S HN 0.245 nan 8.310 nan 0.000 0.533 460 K N 0.260 120.733 120.400 0.122 0.000 2.358 460 K HA 0.393 4.713 4.320 -0.000 0.000 0.197 460 K C 1.269 178.036 176.600 0.279 0.000 1.025 460 K CA -0.035 56.396 56.287 0.241 0.000 1.104 460 K CB -0.011 32.670 32.500 0.302 0.000 0.855 460 K HN 0.389 nan 8.250 nan 0.000 0.531 461 I N 1.507 122.167 120.570 0.149 0.000 2.252 461 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 461 I C 2.546 178.770 176.117 0.179 0.000 1.102 461 I CA 1.619 62.995 61.300 0.126 0.000 1.385 461 I CB -0.609 37.411 38.000 0.033 0.000 1.064 461 I HN 0.259 nan 8.210 nan 0.000 0.414 462 T N -0.895 113.737 114.554 0.129 0.000 2.720 462 T HA -0.277 4.073 4.350 -0.000 0.000 0.268 462 T C 1.919 176.691 174.700 0.121 0.000 1.037 462 T CA 1.424 63.586 62.100 0.103 0.000 1.144 462 T CB -0.398 68.509 68.868 0.065 0.000 0.864 462 T HN 0.275 nan 8.240 nan 0.000 0.444 463 K N -0.037 120.474 120.400 0.185 0.000 2.097 463 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 463 K C 2.096 178.780 176.600 0.139 0.000 1.049 463 K CA 1.288 57.726 56.287 0.252 0.000 0.933 463 K CB -0.386 32.366 32.500 0.419 0.000 0.717 463 K HN 0.440 nan 8.250 nan 0.000 0.442 464 F N 2.068 121.881 119.950 -0.227 0.000 2.095 464 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 464 F C 2.207 177.884 175.800 -0.205 0.000 1.104 464 F CA 1.963 59.532 58.000 -0.717 0.000 1.232 464 F CB -0.299 38.340 39.000 -0.600 0.000 0.987 464 F HN 0.134 nan 8.300 nan 0.000 0.475 465 E N 0.102 120.207 120.200 -0.158 0.000 2.077 465 E HA -0.293 4.057 4.350 -0.000 0.000 0.193 465 E C 2.054 178.575 176.600 -0.131 0.000 0.989 465 E CA 1.347 57.659 56.400 -0.147 0.000 0.800 465 E CB -0.408 29.336 29.700 0.073 0.000 0.746 465 E HN 0.550 nan 8.360 nan 0.000 0.452 466 N N 0.141 118.805 118.700 -0.060 0.000 2.036 466 N HA -0.224 4.516 4.740 -0.000 0.000 0.195 466 N C 1.679 177.161 175.510 -0.047 0.000 1.037 466 N CA 2.271 55.303 53.050 -0.031 0.000 0.855 466 N CB -0.248 38.254 38.487 0.024 0.000 1.033 466 N HN 0.212 nan 8.380 nan 0.000 0.423 467 A N -0.726 122.082 122.820 -0.019 0.000 1.930 467 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 467 A C 2.120 179.692 177.584 -0.021 0.000 1.175 467 A CA 1.106 53.199 52.037 0.093 0.000 0.627 467 A CB -1.053 18.115 19.000 0.280 0.000 0.815 467 A HN 0.527 nan 8.150 nan 0.000 0.443 468 F N 0.198 119.799 119.950 -0.582 0.000 2.102 468 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 468 F C 1.785 177.258 175.800 -0.546 0.000 1.105 468 F CA 1.684 59.037 58.000 -1.079 0.000 1.239 468 F CB -0.439 37.635 39.000 -1.543 0.000 0.991 468 F HN 0.174 nan 8.300 nan 0.000 0.474 469 L N 0.011 120.918 121.223 -0.527 0.000 2.046 469 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 469 L C 2.487 179.150 176.870 -0.345 0.000 1.077 469 L CA 2.042 56.601 54.840 -0.467 0.000 0.747 469 L CB -1.009 40.923 42.059 -0.211 0.000 0.896 469 L HN 0.134 nan 8.230 nan 0.000 0.432 470 S N -1.709 113.868 115.700 -0.205 0.000 2.382 470 S HA -0.252 4.218 4.470 -0.000 0.000 0.228 470 S C 1.912 176.461 174.600 -0.085 0.000 1.027 470 S CA 1.339 59.475 58.200 -0.107 0.000 0.991 470 S CB -0.558 62.627 63.200 -0.025 0.000 0.823 470 S HN 0.667 nan 8.310 nan 0.000 0.469 471 H N 1.852 120.792 119.070 -0.217 0.000 2.326 471 H HA -0.025 4.531 4.556 -0.000 0.000 0.301 471 H C 2.049 177.266 175.328 -0.186 0.000 1.081 471 H CA 1.897 57.854 56.048 -0.151 0.000 1.334 471 H CB -0.486 29.225 29.762 -0.086 0.000 1.385 471 H HN 0.234 nan 8.280 nan 0.000 0.504 472 V N -1.147 118.456 119.914 -0.520 0.000 2.515 472 V HA -0.103 4.017 4.120 -0.000 0.000 0.250 472 V C 2.419 178.332 176.094 -0.302 0.000 1.058 472 V CA 1.769 63.792 62.300 -0.462 0.000 1.064 472 V CB -0.785 30.634 31.823 -0.673 0.000 0.675 472 V HN 0.382 nan 8.190 nan 0.000 0.461 473 I N 0.909 121.313 120.570 -0.277 0.000 2.163 473 I HA -0.178 3.992 4.170 -0.000 0.000 0.240 473 I C 2.943 178.961 176.117 -0.166 0.000 1.081 473 I CA 1.916 63.102 61.300 -0.190 0.000 1.353 473 I CB -0.461 37.444 38.000 -0.158 0.000 1.054 473 I HN 0.394 nan 8.210 nan 0.000 0.407 474 S N -0.173 115.430 115.700 -0.161 0.000 2.356 474 S HA -0.197 4.273 4.470 -0.000 0.000 0.223 474 S C 1.988 176.481 174.600 -0.178 0.000 1.032 474 S CA 1.494 59.616 58.200 -0.129 0.000 1.005 474 S CB 0.024 63.181 63.200 -0.071 0.000 0.867 474 S HN 0.365 nan 8.310 nan 0.000 0.449 475 Q N -0.659 118.963 119.800 -0.296 0.000 2.423 475 Q HA 0.182 4.522 4.340 -0.000 0.000 0.231 475 Q C 0.173 175.845 176.000 -0.546 0.000 0.894 475 Q CA 0.645 56.186 55.803 -0.436 0.000 0.938 475 Q CB 0.016 28.411 28.738 -0.572 0.000 1.079 475 Q HN 0.700 nan 8.270 nan 0.000 0.552 476 H N 0.242 119.147 119.070 -0.275 0.000 2.499 476 H HA 0.179 4.735 4.556 -0.000 0.000 0.262 476 H C 0.927 176.145 175.328 -0.184 0.000 1.363 476 H CA -0.129 55.785 56.048 -0.223 0.000 1.072 476 H CB 0.682 30.284 29.762 -0.267 0.000 1.602 476 H HN 0.000 nan 8.280 nan 0.000 0.526 477 Q N 0.979 120.722 119.800 -0.094 0.000 2.297 477 Q HA -0.016 4.324 4.340 -0.000 0.000 0.204 477 Q C 2.136 178.100 176.000 -0.060 0.000 0.962 477 Q CA 1.183 56.936 55.803 -0.084 0.000 0.879 477 Q CB 0.104 28.788 28.738 -0.089 0.000 0.947 477 Q HN 0.656 nan 8.270 nan 0.000 0.462 478 A N 0.105 122.897 122.820 -0.045 0.000 1.898 478 A HA -0.136 4.183 4.320 -0.000 0.000 0.216 478 A C 1.977 179.542 177.584 -0.032 0.000 1.181 478 A CA 1.098 53.115 52.037 -0.033 0.000 0.620 478 A CB -0.714 18.273 19.000 -0.022 0.000 0.819 478 A HN 0.488 nan 8.150 nan 0.000 0.442 479 L N -0.481 120.727 121.223 -0.026 0.000 2.017 479 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 479 L C 2.492 179.318 176.870 -0.073 0.000 1.073 479 L CA 1.542 56.349 54.840 -0.054 0.000 0.745 479 L CB -0.376 41.636 42.059 -0.077 0.000 0.894 479 L HN 0.431 nan 8.230 nan 0.000 0.432 480 L N -0.725 120.452 121.223 -0.077 0.000 2.046 480 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 480 L C 2.643 179.476 176.870 -0.062 0.000 1.077 480 L CA 1.297 56.088 54.840 -0.082 0.000 0.747 480 L CB -1.167 40.836 42.059 -0.094 0.000 0.896 480 L HN 0.340 nan 8.230 nan 0.000 0.432 481 G N 0.097 108.865 108.800 -0.054 0.000 2.440 481 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.218 481 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.218 481 G C 1.685 176.562 174.900 -0.037 0.000 1.154 481 G CA 0.766 45.841 45.100 -0.042 0.000 0.767 481 G HN 0.298 nan 8.290 nan 0.000 0.552 482 K N -0.129 120.247 120.400 -0.040 0.000 2.097 482 K HA 0.045 4.365 4.320 -0.000 0.000 0.206 482 K C 2.417 178.993 176.600 -0.040 0.000 1.049 482 K CA 0.901 57.166 56.287 -0.037 0.000 0.933 482 K CB -0.233 32.244 32.500 -0.039 0.000 0.717 482 K HN 0.342 nan 8.250 nan 0.000 0.442 483 I N 0.478 121.018 120.570 -0.051 0.000 2.286 483 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 483 I C 2.630 178.727 176.117 -0.032 0.000 1.115 483 I CA 1.190 62.461 61.300 -0.049 0.000 1.392 483 I CB -0.151 37.810 38.000 -0.065 0.000 1.065 483 I HN 0.153 nan 8.210 nan 0.000 0.418 484 R N 0.256 120.738 120.500 -0.029 0.000 2.100 484 R HA -0.086 4.254 4.340 -0.000 0.000 0.220 484 R C 2.260 178.550 176.300 -0.016 0.000 1.091 484 R CA 1.458 57.547 56.100 -0.018 0.000 0.986 484 R CB -0.134 30.156 30.300 -0.016 0.000 0.888 484 R HN 0.184 nan 8.270 nan 0.000 0.444 485 T N 1.376 115.918 114.554 -0.020 0.000 2.622 485 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 485 T C 1.003 175.694 174.700 -0.015 0.000 1.047 485 T CA 1.820 63.910 62.100 -0.017 0.000 1.159 485 T CB -0.333 68.524 68.868 -0.019 0.000 0.863 485 T HN 0.336 nan 8.240 nan 0.000 0.422 486 D N 0.279 120.669 120.400 -0.017 0.000 2.183 486 D HA 0.097 4.737 4.640 -0.000 0.000 0.203 486 D C 1.718 178.012 176.300 -0.012 0.000 0.969 486 D CA 1.144 55.136 54.000 -0.014 0.000 0.842 486 D CB -0.548 40.243 40.800 -0.016 0.000 0.957 486 D HN 0.558 nan 8.370 nan 0.000 0.484 487 G N 1.049 109.841 108.800 -0.013 0.000 2.143 487 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.248 487 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.248 487 G C 0.187 175.083 174.900 -0.007 0.000 0.991 487 G CA 0.820 45.914 45.100 -0.010 0.000 0.689 487 G HN 0.605 nan 8.290 nan 0.000 0.522 488 K N -1.741 118.654 120.400 -0.010 0.000 2.735 488 K HA 0.644 4.964 4.320 -0.000 0.000 0.295 488 K C -0.895 175.694 176.600 -0.018 0.000 1.052 488 K CA -1.362 54.921 56.287 -0.005 0.000 0.853 488 K CB 0.643 33.145 32.500 0.003 0.000 1.535 488 K HN 0.161 nan 8.250 nan 0.000 0.383 489 I N 3.181 123.742 120.570 -0.015 0.000 2.291 489 I HA 0.116 4.286 4.170 -0.000 0.000 0.292 489 I C 0.430 176.540 176.117 -0.012 0.000 1.064 489 I CA -0.352 60.922 61.300 -0.043 0.000 1.269 489 I CB 1.142 39.097 38.000 -0.076 0.000 1.418 489 I HN 0.764 nan 8.210 nan 0.000 0.485 490 S N 3.755 119.443 115.700 -0.020 0.000 2.640 490 S HA 0.215 4.685 4.470 -0.000 0.000 0.262 490 S C 0.999 175.604 174.600 0.008 0.000 1.232 490 S CA -0.509 57.690 58.200 -0.003 0.000 0.988 490 S CB 1.089 64.284 63.200 -0.008 0.000 1.034 490 S HN 0.577 nan 8.310 nan 0.000 0.569 491 E N 0.589 120.799 120.200 0.018 0.000 2.051 491 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 491 E C 2.007 178.618 176.600 0.019 0.000 0.991 491 E CA 1.638 58.055 56.400 0.029 0.000 0.799 491 E CB -0.266 29.450 29.700 0.027 0.000 0.748 491 E HN 0.843 nan 8.360 nan 0.000 0.449 492 E N -0.195 120.007 120.200 0.004 0.000 2.077 492 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 492 E C 1.823 178.409 176.600 -0.024 0.000 0.989 492 E CA 1.343 57.740 56.400 -0.005 0.000 0.800 492 E CB 0.034 29.729 29.700 -0.008 0.000 0.746 492 E HN 0.080 nan 8.360 nan 0.000 0.452 493 S N 0.593 116.268 115.700 -0.042 0.000 2.383 493 S HA -0.152 4.317 4.470 -0.000 0.000 0.227 493 S C 1.527 176.052 174.600 -0.125 0.000 1.026 493 S CA 1.113 59.259 58.200 -0.090 0.000 0.981 493 S CB -0.267 62.872 63.200 -0.103 0.000 0.818 493 S HN 0.363 nan 8.310 nan 0.000 0.472 494 D N 1.668 122.034 120.400 -0.057 0.000 2.117 494 D HA -0.028 4.612 4.640 -0.000 0.000 0.197 494 D C 2.027 178.378 176.300 0.084 0.000 0.987 494 D CA 1.274 55.298 54.000 0.040 0.000 0.829 494 D CB -0.287 40.608 40.800 0.157 0.000 0.961 494 D HN 0.313 nan 8.370 nan 0.000 0.460 495 A N 0.702 123.548 122.820 0.043 0.000 1.877 495 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 495 A C 2.211 179.793 177.584 -0.003 0.000 1.186 495 A CA 1.954 54.011 52.037 0.034 0.000 0.620 495 A CB -0.583 18.432 19.000 0.024 0.000 0.822 495 A HN 0.258 nan 8.150 nan 0.000 0.443 496 K N -0.574 119.805 120.400 -0.036 0.000 2.097 496 K HA -0.008 4.312 4.320 -0.000 0.000 0.206 496 K C 1.867 178.403 176.600 -0.108 0.000 1.049 496 K CA 1.109 57.353 56.287 -0.071 0.000 0.933 496 K CB -0.258 32.191 32.500 -0.086 0.000 0.717 496 K HN 0.457 nan 8.250 nan 0.000 0.442 497 L N 0.856 122.010 121.223 -0.115 0.000 2.093 497 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 497 L C 2.603 179.455 176.870 -0.029 0.000 1.085 497 L CA 1.234 56.013 54.840 -0.102 0.000 0.755 497 L CB -0.282 41.564 42.059 -0.356 0.000 0.904 497 L HN 0.209 nan 8.230 nan 0.000 0.435 498 K N -0.220 120.157 120.400 -0.037 0.000 2.057 498 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 498 K C 1.969 178.451 176.600 -0.197 0.000 1.049 498 K CA 1.374 57.503 56.287 -0.262 0.000 0.931 498 K CB 0.123 32.572 32.500 -0.085 0.000 0.714 498 K HN 0.181 nan 8.250 nan 0.000 0.440 499 E N 0.723 120.878 120.200 -0.077 0.000 2.107 499 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 499 E C 2.085 178.694 176.600 0.014 0.000 0.982 499 E CA 0.892 57.276 56.400 -0.026 0.000 0.809 499 E CB -0.139 29.560 29.700 -0.001 0.000 0.756 499 E HN 0.422 nan 8.360 nan 0.000 0.459 500 I N 0.399 120.970 120.570 0.001 0.000 2.142 500 I HA -0.238 3.932 4.170 -0.000 0.000 0.240 500 I C 2.392 178.628 176.117 0.197 0.000 1.078 500 I CA 0.783 62.135 61.300 0.087 0.000 1.343 500 I CB -0.290 37.677 38.000 -0.054 0.000 1.046 500 I HN -0.072 nan 8.210 nan 0.000 0.405 501 V N 0.884 120.850 119.914 0.086 0.000 2.307 501 V HA -0.276 3.844 4.120 -0.000 0.000 0.245 501 V C 2.734 178.876 176.094 0.080 0.000 1.045 501 V CA 2.546 64.871 62.300 0.040 0.000 1.024 501 V CB -1.238 30.481 31.823 -0.175 0.000 0.651 501 V HN 0.645 nan 8.190 nan 0.000 0.449 502 T N -1.605 112.926 114.554 -0.039 0.000 2.777 502 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 502 T C 1.759 176.509 174.700 0.083 0.000 1.040 502 T CA 1.588 63.687 62.100 -0.002 0.000 1.141 502 T CB -0.477 68.362 68.868 -0.048 0.000 0.868 502 T HN 0.404 nan 8.240 nan 0.000 0.444 503 N N 0.648 119.413 118.700 0.108 0.000 2.142 503 N HA 0.016 4.756 4.740 -0.000 0.000 0.186 503 N C 1.536 177.153 175.510 0.179 0.000 1.023 503 N CA 1.070 54.195 53.050 0.125 0.000 0.852 503 N CB -0.558 38.001 38.487 0.119 0.000 0.998 503 N HN 0.461 nan 8.380 nan 0.000 0.424 504 F N 1.640 121.660 119.950 0.117 0.000 2.134 504 F HA -0.148 4.378 4.527 -0.000 0.000 0.299 504 F C 2.212 178.148 175.800 0.226 0.000 1.097 504 F CA 0.785 58.882 58.000 0.161 0.000 1.264 504 F CB -0.212 38.929 39.000 0.235 0.000 1.001 504 F HN -0.059 nan 8.300 nan 0.000 0.479 505 L N 0.627 122.111 121.223 0.436 0.000 2.046 505 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 505 L C 2.489 179.471 176.870 0.188 0.000 1.077 505 L CA 1.976 57.010 54.840 0.323 0.000 0.747 505 L CB -1.331 40.809 42.059 0.134 0.000 0.896 505 L HN 0.159 nan 8.230 nan 0.000 0.432 506 A N -0.531 122.357 122.820 0.113 0.000 1.883 506 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 506 A C 2.342 179.943 177.584 0.028 0.000 1.186 506 A CA 1.794 53.866 52.037 0.058 0.000 0.624 506 A CB -1.623 17.403 19.000 0.043 0.000 0.822 506 A HN 0.529 nan 8.150 nan 0.000 0.444 507 G N -1.846 106.951 108.800 -0.004 0.000 2.408 507 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 507 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 507 G C 1.444 176.303 174.900 -0.068 0.000 1.150 507 G CA 1.056 46.114 45.100 -0.069 0.000 0.776 507 G HN 0.496 nan 8.290 nan 0.000 0.542 508 F N 2.194 122.034 119.950 -0.184 0.000 2.259 508 F HA 0.036 4.563 4.527 -0.000 0.000 0.298 508 F C 2.550 178.334 175.800 -0.026 0.000 1.088 508 F CA 1.593 59.524 58.000 -0.115 0.000 1.358 508 F CB 0.106 39.106 39.000 -0.000 0.000 1.040 508 F HN 0.405 nan 8.300 nan 0.000 0.505 509 E N 0.243 120.452 120.200 0.014 0.000 2.444 509 E HA 0.321 4.671 4.350 -0.000 0.000 0.191 509 E C 0.825 177.371 176.600 -0.089 0.000 1.041 509 E CA 0.091 56.455 56.400 -0.060 0.000 0.883 509 E CB -0.115 29.618 29.700 0.056 0.000 1.024 509 E HN 0.281 nan 8.360 nan 0.000 0.470 510 A N 0.000 122.757 122.820 -0.104 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.985 52.037 -0.086 0.000 0.836 510 A CB 0.000 18.953 19.000 -0.079 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486