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 1cow_1_B 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 0.000 176.282 176.300 -0.029 0.000 2.045 24 D CA 0.000 53.991 54.000 -0.015 0.000 0.868 24 D CB 0.000 40.796 40.800 -0.007 0.000 0.688 25 L N 0.568 121.765 121.223 -0.043 0.000 2.949 25 L HA -0.307 4.033 4.340 -0.000 0.000 0.249 25 L C 1.614 178.438 176.870 -0.078 0.000 1.165 25 L CA 1.446 56.238 54.840 -0.079 0.000 0.813 25 L CB -0.627 41.371 42.059 -0.101 0.000 0.961 25 L HN 0.445 nan 8.230 nan 0.000 0.502 26 E N -0.483 119.685 120.200 -0.053 0.000 2.251 26 E HA -0.020 4.330 4.350 -0.000 0.000 0.194 26 E C 1.457 178.030 176.600 -0.046 0.000 0.964 26 E CA 0.558 56.930 56.400 -0.047 0.000 0.868 26 E CB 0.252 29.932 29.700 -0.033 0.000 0.828 26 E HN 0.578 nan 8.360 nan 0.000 0.481 27 E N 0.336 120.509 120.200 -0.044 0.000 2.562 27 E HA 0.172 4.522 4.350 -0.000 0.000 0.214 27 E C 0.206 176.774 176.600 -0.053 0.000 0.979 27 E CA 0.186 56.560 56.400 -0.044 0.000 1.002 27 E CB 1.438 31.118 29.700 -0.034 0.000 1.048 27 E HN -0.041 nan 8.360 nan 0.000 0.488 28 T N -0.204 114.316 114.554 -0.056 0.000 2.888 28 T HA 0.731 5.081 4.350 -0.000 0.000 0.288 28 T C -0.315 174.345 174.700 -0.067 0.000 1.063 28 T CA -0.593 61.472 62.100 -0.058 0.000 1.010 28 T CB 2.261 71.105 68.868 -0.039 0.000 1.214 28 T HN 0.125 nan 8.240 nan 0.000 0.533 29 G N 0.612 109.381 108.800 -0.053 0.000 2.732 29 G HA2 0.592 4.552 3.960 -0.000 0.000 0.296 29 G HA3 0.592 4.552 3.960 -0.000 0.000 0.296 29 G C -1.746 173.165 174.900 0.018 0.000 1.448 29 G CA -0.809 44.269 45.100 -0.038 0.000 0.911 29 G HN 0.540 nan 8.290 nan 0.000 0.528 30 R N 0.744 121.286 120.500 0.070 0.000 2.460 30 R HA 0.503 4.843 4.340 -0.000 0.000 0.303 30 R C -0.118 176.256 176.300 0.122 0.000 0.968 30 R CA -0.718 55.440 56.100 0.097 0.000 0.889 30 R CB 2.367 32.728 30.300 0.102 0.000 1.123 30 R HN 0.339 nan 8.270 nan 0.000 0.455 31 V N 4.866 124.857 119.914 0.128 0.000 2.673 31 V HA -0.066 4.054 4.120 -0.000 0.000 0.303 31 V C 1.578 177.727 176.094 0.092 0.000 1.046 31 V CA 0.574 62.953 62.300 0.132 0.000 1.126 31 V CB 0.558 32.466 31.823 0.141 0.000 0.934 31 V HN 0.731 nan 8.190 nan 0.000 0.487 32 L N 3.454 124.726 121.223 0.082 0.000 2.408 32 L HA 0.219 4.559 4.340 -0.000 0.000 0.215 32 L C 0.629 177.515 176.870 0.027 0.000 1.081 32 L CA 0.724 55.591 54.840 0.046 0.000 0.840 32 L CB 0.352 42.435 42.059 0.040 0.000 1.002 32 L HN 0.886 nan 8.230 nan 0.000 0.468 33 S N -0.813 114.906 115.700 0.031 0.000 2.604 33 S HA 0.422 4.892 4.470 -0.000 0.000 0.296 33 S C -1.256 173.345 174.600 0.002 0.000 1.097 33 S CA -0.891 57.316 58.200 0.012 0.000 0.883 33 S CB 1.430 64.632 63.200 0.005 0.000 1.081 33 S HN -0.031 nan 8.310 nan 0.000 0.448 34 I N 1.645 122.206 120.570 -0.016 0.000 2.530 34 I HA 0.968 5.138 4.170 -0.000 0.000 0.297 34 I C 0.061 176.156 176.117 -0.038 0.000 1.011 34 I CA 0.268 61.543 61.300 -0.041 0.000 1.107 34 I CB 1.552 39.506 38.000 -0.076 0.000 1.285 34 I HN 1.480 nan 8.210 nan 0.000 0.436 35 G N 4.881 113.656 108.800 -0.043 0.000 2.270 35 G HA2 0.330 4.290 3.960 -0.000 0.000 0.295 35 G HA3 0.330 4.290 3.960 -0.000 0.000 0.295 35 G C -1.189 173.688 174.900 -0.038 0.000 1.732 35 G CA -0.559 44.519 45.100 -0.037 0.000 0.909 35 G HN 0.700 nan 8.290 nan 0.000 0.730 36 D N 0.103 120.480 120.400 -0.038 0.000 2.772 36 D HA -0.151 4.489 4.640 -0.000 0.000 0.233 36 D C 1.638 177.910 176.300 -0.047 0.000 1.143 36 D CA 2.689 56.665 54.000 -0.040 0.000 0.700 36 D CB -1.192 39.587 40.800 -0.037 0.000 1.076 36 D HN 2.293 nan 8.370 nan 0.000 0.430 37 G N -0.353 108.414 108.800 -0.054 0.000 2.296 37 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.282 37 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.282 37 G C 0.253 175.109 174.900 -0.073 0.000 1.014 37 G CA 0.497 45.556 45.100 -0.068 0.000 0.812 37 G HN 0.546 nan 8.290 nan 0.000 0.508 38 I N 0.548 121.083 120.570 -0.059 0.000 2.468 38 I HA 0.535 4.705 4.170 -0.000 0.000 0.284 38 I C 0.442 176.543 176.117 -0.027 0.000 1.038 38 I CA -0.770 60.505 61.300 -0.043 0.000 1.083 38 I CB 1.460 39.441 38.000 -0.032 0.000 1.223 38 I HN 0.259 nan 8.210 nan 0.000 0.443 39 A N 7.990 130.804 122.820 -0.010 0.000 2.320 39 A HA 0.577 4.897 4.320 -0.000 0.000 0.287 39 A C 0.071 177.697 177.584 0.070 0.000 1.181 39 A CA -0.568 51.483 52.037 0.025 0.000 0.831 39 A CB 0.367 19.390 19.000 0.038 0.000 1.102 39 A HN 0.556 nan 8.150 nan 0.000 0.513 40 R N 2.887 123.421 120.500 0.058 0.000 2.230 40 R HA 0.326 4.666 4.340 -0.000 0.000 0.337 40 R C -0.712 175.643 176.300 0.091 0.000 1.063 40 R CA -0.260 55.878 56.100 0.063 0.000 0.935 40 R CB 0.517 30.842 30.300 0.041 0.000 1.121 40 R HN 0.481 nan 8.270 nan 0.000 0.486 41 V N 3.155 123.133 119.914 0.106 0.000 2.686 41 V HA 0.159 4.279 4.120 -0.000 0.000 0.295 41 V C 0.695 176.868 176.094 0.131 0.000 1.057 41 V CA -0.564 61.805 62.300 0.116 0.000 1.012 41 V CB 1.431 33.307 31.823 0.088 0.000 1.006 41 V HN 0.614 nan 8.190 nan 0.000 0.477 42 H N 2.340 121.427 119.070 0.027 0.000 2.481 42 H HA 0.611 5.167 4.556 -0.000 0.000 0.333 42 H C 0.283 175.617 175.328 0.010 0.000 1.066 42 H CA 0.590 56.648 56.048 0.016 0.000 1.209 42 H CB 1.446 31.218 29.762 0.016 0.000 1.445 42 H HN 0.952 nan 8.280 nan 0.000 0.488 43 G N 3.117 111.591 108.800 -0.543 0.000 2.443 43 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.209 43 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.209 43 G C 0.064 174.856 174.900 -0.180 0.000 1.176 43 G CA -0.379 44.473 45.100 -0.414 0.000 1.074 43 G HN 0.911 nan 8.290 nan 0.000 0.577 44 L N -0.514 120.633 121.223 -0.126 0.000 3.717 44 L HA -0.228 4.112 4.340 -0.000 0.000 0.414 44 L C 2.105 178.932 176.870 -0.070 0.000 1.228 44 L CA 1.090 55.879 54.840 -0.084 0.000 0.918 44 L CB -0.819 41.197 42.059 -0.071 0.000 1.865 44 L HN 0.697 nan 8.230 nan 0.000 0.922 45 R N -0.418 120.035 120.500 -0.079 0.000 2.261 45 R HA -0.140 4.200 4.340 -0.000 0.000 0.236 45 R C 1.404 177.682 176.300 -0.038 0.000 1.141 45 R CA 1.477 57.542 56.100 -0.058 0.000 1.001 45 R CB -0.193 30.074 30.300 -0.055 0.000 0.866 45 R HN 0.498 nan 8.270 nan 0.000 0.468 46 N N -0.310 118.367 118.700 -0.037 0.000 2.205 46 N HA 0.031 4.771 4.740 -0.000 0.000 0.201 46 N C -0.174 175.322 175.510 -0.023 0.000 1.128 46 N CA 0.084 53.118 53.050 -0.027 0.000 0.867 46 N CB 0.599 39.070 38.487 -0.026 0.000 0.996 46 N HN -0.059 nan 8.380 nan 0.000 0.503 47 V N 0.422 120.320 119.914 -0.027 0.000 3.032 47 V HA 0.036 4.156 4.120 -0.000 0.000 0.307 47 V C 0.630 176.718 176.094 -0.010 0.000 1.097 47 V CA -0.340 61.948 62.300 -0.020 0.000 1.191 47 V CB 0.253 32.063 31.823 -0.021 0.000 0.964 47 V HN 0.092 nan 8.190 nan 0.000 0.494 48 Q N 1.393 121.191 119.800 -0.004 0.000 2.180 48 Q HA 0.708 5.048 4.340 -0.000 0.000 0.241 48 Q C 0.053 176.059 176.000 0.010 0.000 0.970 48 Q CA -0.533 55.272 55.803 0.003 0.000 0.919 48 Q CB 1.414 30.155 28.738 0.004 0.000 1.222 48 Q HN 1.066 nan 8.270 nan 0.000 0.482 49 A N 1.186 124.014 122.820 0.015 0.000 2.450 49 A HA 0.178 4.498 4.320 -0.000 0.000 0.255 49 A C -0.189 177.413 177.584 0.030 0.000 1.096 49 A CA 0.096 52.146 52.037 0.023 0.000 0.778 49 A CB -0.232 18.782 19.000 0.023 0.000 1.031 49 A HN 0.901 nan 8.150 nan 0.000 0.494 50 E N -0.494 119.731 120.200 0.042 0.000 3.303 50 E HA -0.179 4.171 4.350 -0.000 0.000 0.302 50 E C 0.048 176.684 176.600 0.058 0.000 0.902 50 E CA 1.126 57.561 56.400 0.058 0.000 1.042 50 E CB -1.421 28.307 29.700 0.048 0.000 1.528 50 E HN 0.913 nan 8.360 nan 0.000 0.424 51 E N 0.528 120.755 120.200 0.046 0.000 2.277 51 E HA 0.298 4.648 4.350 -0.000 0.000 0.274 51 E C 0.060 176.695 176.600 0.059 0.000 1.022 51 E CA -0.647 55.776 56.400 0.038 0.000 0.853 51 E CB 0.763 30.472 29.700 0.015 0.000 1.086 51 E HN -0.045 nan 8.360 nan 0.000 0.397 52 M N 3.708 123.345 119.600 0.062 0.000 2.233 52 M HA 0.158 4.638 4.480 -0.000 0.000 0.350 52 M C -0.263 176.053 176.300 0.027 0.000 1.176 52 M CA -0.171 55.182 55.300 0.088 0.000 1.150 52 M CB 0.818 33.457 32.600 0.066 0.000 1.530 52 M HN 0.508 nan 8.290 nan 0.000 0.459 53 V N 1.371 121.283 119.914 -0.002 0.000 3.141 53 V HA 0.709 4.829 4.120 -0.000 0.000 0.312 53 V C -0.760 175.222 176.094 -0.185 0.000 1.157 53 V CA -0.876 61.351 62.300 -0.122 0.000 1.041 53 V CB 2.526 34.228 31.823 -0.202 0.000 1.071 53 V HN 0.820 nan 8.190 nan 0.000 0.441 54 E N 0.677 120.712 120.200 -0.274 0.000 2.266 54 E HA 0.557 4.907 4.350 -0.000 0.000 0.268 54 E C -1.852 174.533 176.600 -0.358 0.000 0.879 54 E CA -0.427 55.846 56.400 -0.212 0.000 0.762 54 E CB 2.591 32.254 29.700 -0.063 0.000 1.199 54 E HN 0.626 nan 8.360 nan 0.000 0.422 55 F N 0.548 120.521 119.950 0.038 0.000 2.399 55 F HA 0.118 4.645 4.527 -0.000 0.000 0.328 55 F C 1.861 177.677 175.800 0.026 0.000 1.084 55 F CA -0.207 57.811 58.000 0.030 0.000 1.053 55 F CB 1.378 40.397 39.000 0.031 0.000 1.209 55 F HN 0.430 nan 8.300 nan 0.000 0.502 56 S N 0.406 116.225 115.700 0.198 0.000 2.400 56 S HA -0.227 4.243 4.470 -0.000 0.000 0.234 56 S C 1.619 176.285 174.600 0.110 0.000 1.049 56 S CA 1.920 60.190 58.200 0.117 0.000 1.039 56 S CB -0.521 62.740 63.200 0.102 0.000 0.856 56 S HN 0.679 nan 8.310 nan 0.000 0.465 57 S N 0.407 116.192 115.700 0.142 0.000 2.763 57 S HA 0.430 4.900 4.470 -0.000 0.000 0.237 57 S C 1.181 175.849 174.600 0.113 0.000 0.966 57 S CA 0.265 58.527 58.200 0.104 0.000 1.017 57 S CB -0.248 63.001 63.200 0.081 0.000 0.780 57 S HN 0.707 nan 8.310 nan 0.000 0.476 58 G N 0.739 109.612 108.800 0.122 0.000 2.296 58 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.282 58 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.282 58 G C -0.132 174.855 174.900 0.146 0.000 1.014 58 G CA 0.473 45.639 45.100 0.110 0.000 0.812 58 G HN 0.557 nan 8.290 nan 0.000 0.508 59 L N -0.615 120.745 121.223 0.228 0.000 2.399 59 L HA 0.772 5.112 4.340 -0.000 0.000 0.265 59 L C 0.482 177.594 176.870 0.403 0.000 1.089 59 L CA -0.685 54.311 54.840 0.260 0.000 0.802 59 L CB 1.215 43.380 42.059 0.175 0.000 1.180 59 L HN 0.182 nan 8.230 nan 0.000 0.454 60 K N 0.505 121.132 120.400 0.378 0.000 2.221 60 K HA 0.829 5.149 4.320 -0.000 0.000 0.243 60 K C -0.708 176.224 176.600 0.553 0.000 0.968 60 K CA -0.711 55.827 56.287 0.419 0.000 0.846 60 K CB 1.884 34.572 32.500 0.313 0.000 1.141 60 K HN 0.811 nan 8.250 nan 0.000 0.434 61 G N 0.785 109.865 108.800 0.467 0.000 2.692 61 G HA2 0.525 4.485 3.960 -0.000 0.000 0.291 61 G HA3 0.525 4.485 3.960 -0.000 0.000 0.291 61 G C -1.816 173.231 174.900 0.245 0.000 1.423 61 G CA -0.762 44.518 45.100 0.299 0.000 0.843 61 G HN 0.523 nan 8.290 nan 0.000 0.486 62 M N 1.104 120.746 119.600 0.070 0.000 2.243 62 M HA 0.572 5.052 4.480 -0.000 0.000 0.324 62 M C -0.506 175.833 176.300 0.065 0.000 1.031 62 M CA -0.510 54.882 55.300 0.152 0.000 0.949 62 M CB 1.722 34.467 32.600 0.242 0.000 1.615 62 M HN 0.346 nan 8.290 nan 0.000 0.430 63 S N 4.685 120.423 115.700 0.062 0.000 2.443 63 S HA 0.123 4.593 4.470 -0.000 0.000 0.284 63 S C 0.530 175.155 174.600 0.043 0.000 1.206 63 S CA -0.537 57.686 58.200 0.039 0.000 1.074 63 S CB 0.612 63.826 63.200 0.024 0.000 0.963 63 S HN 0.719 nan 8.310 nan 0.000 0.501 64 L N 5.201 126.445 121.223 0.036 0.000 2.187 64 L HA 0.320 4.660 4.340 -0.000 0.000 0.197 64 L C 0.109 176.998 176.870 0.032 0.000 1.090 64 L CA 1.452 56.314 54.840 0.037 0.000 0.781 64 L CB -0.197 41.878 42.059 0.026 0.000 0.956 64 L HN 0.486 nan 8.230 nan 0.000 0.463 65 N N -0.015 118.701 118.700 0.026 0.000 2.419 65 N HA 0.470 5.210 4.740 -0.000 0.000 0.277 65 N C -1.370 174.153 175.510 0.021 0.000 1.006 65 N CA -0.156 52.908 53.050 0.023 0.000 0.923 65 N CB 1.142 39.641 38.487 0.019 0.000 1.140 65 N HN 0.070 nan 8.380 nan 0.000 0.488 66 L N 2.188 123.422 121.223 0.019 0.000 2.297 66 L HA 0.382 4.722 4.340 -0.000 0.000 0.277 66 L C -0.021 176.858 176.870 0.015 0.000 1.040 66 L CA -0.379 54.470 54.840 0.015 0.000 0.867 66 L CB 0.438 42.504 42.059 0.011 0.000 1.244 66 L HN 0.459 nan 8.230 nan 0.000 0.433 67 E N 3.406 123.617 120.200 0.018 0.000 2.212 67 E HA 0.286 4.636 4.350 -0.000 0.000 0.270 67 E C -1.663 174.950 176.600 0.021 0.000 0.956 67 E CA -1.892 54.520 56.400 0.019 0.000 0.825 67 E CB 1.587 31.301 29.700 0.022 0.000 1.167 67 E HN 0.243 nan 8.360 nan 0.000 0.400 68 P HA -0.172 nan 4.420 nan 0.000 0.223 68 P C -0.571 176.749 177.300 0.034 0.000 1.140 68 P CA 1.425 64.538 63.100 0.023 0.000 0.783 68 P CB 0.027 31.739 31.700 0.020 0.000 0.759 69 D N -3.252 117.176 120.400 0.046 0.000 3.486 69 D HA 0.122 4.762 4.640 -0.000 0.000 0.294 69 D C -0.493 175.877 176.300 0.116 0.000 1.593 69 D CA -0.684 53.365 54.000 0.082 0.000 0.776 69 D CB -1.357 39.490 40.800 0.079 0.000 1.353 69 D HN 0.265 nan 8.370 nan 0.000 0.608 70 N N -1.920 116.826 118.700 0.077 0.000 4.574 70 N HA 0.334 5.074 4.740 -0.000 0.000 0.208 70 N C -2.246 173.291 175.510 0.044 0.000 1.237 70 N CA -0.959 52.139 53.050 0.080 0.000 0.836 70 N CB 0.812 39.351 38.487 0.086 0.000 1.504 70 N HN -0.100 nan 8.380 nan 0.000 0.492 71 V N 0.204 120.143 119.914 0.041 0.000 2.409 71 V HA 0.822 4.942 4.120 -0.000 0.000 0.291 71 V C 0.677 176.795 176.094 0.041 0.000 1.020 71 V CA -0.292 62.026 62.300 0.030 0.000 0.848 71 V CB 1.261 33.093 31.823 0.015 0.000 0.990 71 V HN 0.905 nan 8.190 nan 0.000 0.430 72 G N 3.698 112.518 108.800 0.033 0.000 2.339 72 G HA2 0.566 4.526 3.960 -0.000 0.000 0.287 72 G HA3 0.566 4.526 3.960 -0.000 0.000 0.287 72 G C -0.444 174.479 174.900 0.038 0.000 1.163 72 G CA -0.265 44.855 45.100 0.033 0.000 0.872 72 G HN 0.953 nan 8.290 nan 0.000 0.464 73 V N 0.883 120.832 119.914 0.059 0.000 2.680 73 V HA 0.683 4.803 4.120 -0.000 0.000 0.309 73 V C -0.161 175.945 176.094 0.019 0.000 1.052 73 V CA -1.149 61.190 62.300 0.065 0.000 0.908 73 V CB 1.792 33.698 31.823 0.138 0.000 1.001 73 V HN 0.428 nan 8.190 nan 0.000 0.431 74 V N 5.075 124.950 119.914 -0.066 0.000 2.389 74 V HA 0.242 4.362 4.120 -0.000 0.000 0.264 74 V C 0.397 176.290 176.094 -0.334 0.000 1.049 74 V CA -0.271 61.913 62.300 -0.193 0.000 0.932 74 V CB 1.184 32.858 31.823 -0.249 0.000 1.011 74 V HN 0.767 nan 8.190 nan 0.000 0.475 75 V N 6.454 126.230 119.914 -0.231 0.000 2.470 75 V HA 0.178 4.298 4.120 -0.000 0.000 0.276 75 V C 0.381 176.346 176.094 -0.216 0.000 1.040 75 V CA -0.055 62.128 62.300 -0.194 0.000 1.008 75 V CB 0.494 32.189 31.823 -0.213 0.000 0.990 75 V HN 0.716 nan 8.190 nan 0.000 0.477 76 F N 4.381 124.396 119.950 0.107 0.000 2.913 76 F HA 0.578 5.105 4.527 -0.000 0.000 0.306 76 F C 1.145 176.985 175.800 0.067 0.000 1.205 76 F CA 0.193 58.252 58.000 0.098 0.000 1.359 76 F CB -0.081 38.982 39.000 0.106 0.000 1.260 76 F HN 0.692 nan 8.300 nan 0.000 0.545 77 G N -0.390 108.503 108.800 0.154 0.000 2.320 77 G HA2 0.021 3.981 3.960 -0.000 0.000 0.296 77 G HA3 0.021 3.981 3.960 -0.000 0.000 0.296 77 G C -1.410 173.504 174.900 0.024 0.000 1.306 77 G CA -1.230 43.927 45.100 0.096 0.000 0.836 77 G HN -0.064 nan 8.290 nan 0.000 0.517 78 N N 1.190 119.899 118.700 0.014 0.000 2.359 78 N HA 0.019 4.759 4.740 -0.000 0.000 0.261 78 N C 0.862 176.340 175.510 -0.055 0.000 1.267 78 N CA 0.622 53.665 53.050 -0.012 0.000 0.864 78 N CB 0.706 39.191 38.487 -0.004 0.000 1.063 78 N HN 0.545 nan 8.380 nan 0.000 0.474 79 D N 2.915 123.272 120.400 -0.071 0.000 2.328 79 D HA -0.091 4.549 4.640 -0.000 0.000 0.226 79 D C 1.139 177.383 176.300 -0.093 0.000 1.066 79 D CA 0.119 54.049 54.000 -0.116 0.000 0.861 79 D CB 0.095 40.822 40.800 -0.122 0.000 0.912 79 D HN 0.707 nan 8.370 nan 0.000 0.521 80 K N 1.293 121.657 120.400 -0.060 0.000 2.057 80 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 80 K C 2.195 178.766 176.600 -0.049 0.000 1.050 80 K CA 0.626 56.886 56.287 -0.044 0.000 0.935 80 K CB -0.538 31.946 32.500 -0.026 0.000 0.715 80 K HN 0.108 nan 8.250 nan 0.000 0.439 81 L N 1.210 122.400 121.223 -0.055 0.000 2.187 81 L HA -0.022 4.318 4.340 -0.000 0.000 0.213 81 L C 1.346 178.173 176.870 -0.072 0.000 1.100 81 L CA 0.666 55.477 54.840 -0.050 0.000 0.765 81 L CB -0.733 41.301 42.059 -0.041 0.000 0.904 81 L HN 0.189 nan 8.230 nan 0.000 0.437 82 I N 0.151 120.642 120.570 -0.131 0.000 2.499 82 I HA 0.211 4.381 4.170 -0.000 0.000 0.296 82 I C 0.013 176.084 176.117 -0.077 0.000 0.992 82 I CA -0.165 61.044 61.300 -0.153 0.000 1.297 82 I CB 1.202 38.997 38.000 -0.342 0.000 1.410 82 I HN 0.037 nan 8.210 nan 0.000 0.507 83 K N 3.771 124.154 120.400 -0.028 0.000 2.509 83 K HA 0.339 4.659 4.320 -0.000 0.000 0.266 83 K C -1.011 175.598 176.600 0.016 0.000 0.987 83 K CA -0.980 55.303 56.287 -0.007 0.000 0.868 83 K CB 2.146 34.647 32.500 0.002 0.000 1.421 83 K HN 0.511 nan 8.250 nan 0.000 0.444 84 E N 0.187 120.394 120.200 0.013 0.000 2.465 84 E HA 0.014 4.364 4.350 -0.000 0.000 0.260 84 E C 0.591 177.212 176.600 0.034 0.000 0.980 84 E CA 1.433 57.847 56.400 0.023 0.000 0.927 84 E CB 0.086 29.793 29.700 0.012 0.000 0.934 84 E HN 0.764 nan 8.360 nan 0.000 0.459 85 G N 3.895 112.724 108.800 0.049 0.000 2.199 85 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.254 85 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.254 85 G C -0.056 174.885 174.900 0.068 0.000 0.982 85 G CA 0.172 45.304 45.100 0.054 0.000 0.632 85 G HN 0.662 nan 8.290 nan 0.000 0.529 86 D N 0.146 120.597 120.400 0.085 0.000 2.364 86 D HA 0.409 5.049 4.640 -0.000 0.000 0.236 86 D C 0.741 177.110 176.300 0.115 0.000 1.221 86 D CA 0.069 54.134 54.000 0.107 0.000 0.891 86 D CB 0.531 41.421 40.800 0.149 0.000 1.190 86 D HN 0.164 nan 8.370 nan 0.000 0.449 87 I N 0.659 121.287 120.570 0.097 0.000 2.396 87 I HA 0.155 4.325 4.170 -0.000 0.000 0.292 87 I C -0.310 175.823 176.117 0.028 0.000 0.999 87 I CA -0.350 60.983 61.300 0.056 0.000 1.310 87 I CB 1.495 39.513 38.000 0.030 0.000 1.404 87 I HN -0.017 nan 8.210 nan 0.000 0.496 88 V N 6.725 126.611 119.914 -0.046 0.000 2.487 88 V HA 0.501 4.621 4.120 -0.000 0.000 0.298 88 V C -0.271 175.722 176.094 -0.169 0.000 1.028 88 V CA -0.962 61.209 62.300 -0.215 0.000 0.860 88 V CB 1.644 33.306 31.823 -0.269 0.000 0.991 88 V HN 0.572 nan 8.190 nan 0.000 0.427 89 K N 3.996 124.282 120.400 -0.190 0.000 2.324 89 K HA 0.639 4.959 4.320 -0.000 0.000 0.253 89 K C -0.277 176.251 176.600 -0.120 0.000 0.932 89 K CA -0.894 55.321 56.287 -0.120 0.000 0.799 89 K CB 2.742 35.196 32.500 -0.077 0.000 1.154 89 K HN 0.601 nan 8.250 nan 0.000 0.425 90 R N 0.028 120.476 120.500 -0.085 0.000 2.840 90 R HA 0.094 4.434 4.340 -0.000 0.000 0.282 90 R C 1.041 177.310 176.300 -0.051 0.000 1.133 90 R CA 0.265 56.325 56.100 -0.067 0.000 1.208 90 R CB 0.112 30.383 30.300 -0.048 0.000 1.160 90 R HN 0.820 nan 8.270 nan 0.000 0.576 91 T N -4.351 110.182 114.554 -0.035 0.000 3.252 91 T HA 0.153 4.503 4.350 -0.000 0.000 0.295 91 T C 1.177 175.867 174.700 -0.016 0.000 0.897 91 T CA 0.254 62.340 62.100 -0.023 0.000 0.905 91 T CB 0.425 69.284 68.868 -0.016 0.000 1.202 91 T HN 0.835 nan 8.240 nan 0.000 0.592 92 G N 1.667 110.457 108.800 -0.016 0.000 2.225 92 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.272 92 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.272 92 G C 0.293 175.190 174.900 -0.006 0.000 0.996 92 G CA 0.252 45.346 45.100 -0.011 0.000 0.710 92 G HN 1.556 nan 8.290 nan 0.000 0.522 93 A N 0.347 123.165 122.820 -0.003 0.000 2.287 93 A HA 0.722 5.042 4.320 -0.000 0.000 0.317 93 A C 0.337 177.926 177.584 0.008 0.000 1.220 93 A CA -0.752 51.285 52.037 -0.001 0.000 0.835 93 A CB 0.811 19.809 19.000 -0.003 0.000 1.180 93 A HN 0.383 nan 8.150 nan 0.000 0.500 94 I N 2.634 123.208 120.570 0.007 0.000 2.710 94 I HA -0.010 4.160 4.170 -0.000 0.000 0.286 94 I C 0.823 176.947 176.117 0.012 0.000 1.181 94 I CA 0.087 61.396 61.300 0.014 0.000 1.430 94 I CB 0.607 38.612 38.000 0.008 0.000 1.367 94 I HN 0.416 nan 8.210 nan 0.000 0.577 95 V N 7.446 127.377 119.914 0.028 0.000 2.800 95 V HA -0.145 3.975 4.120 -0.000 0.000 0.299 95 V C 0.316 176.396 176.094 -0.023 0.000 1.151 95 V CA 0.675 62.982 62.300 0.011 0.000 1.297 95 V CB -0.806 31.039 31.823 0.037 0.000 0.835 95 V HN 0.962 nan 8.190 nan 0.000 0.484 96 D N 3.806 124.181 120.400 -0.041 0.000 2.752 96 D HA 0.766 5.406 4.640 -0.000 0.000 0.313 96 D C -0.692 175.572 176.300 -0.061 0.000 1.225 96 D CA -0.397 53.576 54.000 -0.044 0.000 0.976 96 D CB 2.168 42.950 40.800 -0.030 0.000 1.443 96 D HN 0.625 nan 8.370 nan 0.000 0.515 97 V N -5.663 114.218 119.914 -0.055 0.000 3.120 97 V HA 0.634 4.754 4.120 -0.000 0.000 0.303 97 V C -3.030 173.027 176.094 -0.063 0.000 1.238 97 V CA -2.199 60.063 62.300 -0.063 0.000 1.008 97 V CB 1.646 33.429 31.823 -0.067 0.000 1.064 97 V HN 0.425 nan 8.190 nan 0.000 0.434 98 P HA 0.227 nan 4.420 nan 0.000 0.260 98 P C -0.639 176.595 177.300 -0.110 0.000 1.172 98 P CA 0.569 63.620 63.100 -0.082 0.000 0.760 98 P CB 0.587 32.244 31.700 -0.072 0.000 0.773 99 V N 3.264 123.084 119.914 -0.157 0.000 2.925 99 V HA 0.909 5.029 4.120 -0.000 0.000 0.311 99 V C 0.304 176.119 176.094 -0.465 0.000 1.104 99 V CA 0.194 62.339 62.300 -0.258 0.000 0.954 99 V CB 2.182 33.899 31.823 -0.177 0.000 1.022 99 V HN 0.886 nan 8.190 nan 0.000 0.427 100 G N 2.477 110.766 108.800 -0.851 0.000 2.326 100 G HA2 0.042 4.002 3.960 -0.000 0.000 0.413 100 G HA3 0.042 4.002 3.960 -0.000 0.000 0.413 100 G C -0.033 174.396 174.900 -0.786 0.000 1.444 100 G CA -0.251 44.122 45.100 -1.212 0.000 1.002 100 G HN 0.596 nan 8.290 nan 0.000 0.649 101 E N 0.161 119.988 120.200 -0.622 0.000 2.333 101 E HA -0.176 4.174 4.350 -0.000 0.000 0.200 101 E C 1.770 178.337 176.600 -0.055 0.000 1.010 101 E CA 1.388 57.697 56.400 -0.152 0.000 0.841 101 E CB 0.078 29.768 29.700 -0.016 0.000 0.757 101 E HN 0.667 nan 8.360 nan 0.000 0.508 102 E N 0.401 120.536 120.200 -0.109 0.000 2.485 102 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 102 E C 1.253 177.830 176.600 -0.039 0.000 1.098 102 E CA 0.289 56.657 56.400 -0.053 0.000 0.878 102 E CB 0.074 29.739 29.700 -0.059 0.000 0.939 102 E HN 0.219 nan 8.360 nan 0.000 0.503 103 L N 0.263 121.467 121.223 -0.032 0.000 2.515 103 L HA 0.189 4.529 4.340 -0.000 0.000 0.223 103 L C 1.031 177.919 176.870 0.031 0.000 1.079 103 L CA 0.176 55.011 54.840 -0.009 0.000 0.857 103 L CB -0.053 41.994 42.059 -0.021 0.000 1.050 103 L HN 0.101 nan 8.230 nan 0.000 0.476 104 L N 0.552 121.816 121.223 0.069 0.000 2.615 104 L HA 0.089 4.429 4.340 -0.000 0.000 0.284 104 L C 1.498 178.396 176.870 0.048 0.000 1.237 104 L CA 1.014 55.910 54.840 0.093 0.000 0.905 104 L CB -0.318 41.834 42.059 0.155 0.000 1.149 104 L HN 0.531 nan 8.230 nan 0.000 0.499 105 G N 2.021 110.833 108.800 0.020 0.000 2.184 105 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.264 105 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.264 105 G C 0.303 175.199 174.900 -0.007 0.000 0.975 105 G CA -0.267 44.828 45.100 -0.008 0.000 0.642 105 G HN 0.466 nan 8.290 nan 0.000 0.536 106 R N -0.301 120.201 120.500 0.003 0.000 2.486 106 R HA 0.656 4.996 4.340 -0.000 0.000 0.286 106 R C -0.145 176.156 176.300 0.002 0.000 0.999 106 R CA -0.928 55.172 56.100 -0.001 0.000 0.993 106 R CB 1.584 31.883 30.300 -0.003 0.000 1.084 106 R HN 0.195 nan 8.270 nan 0.000 0.487 107 V N 3.752 123.666 119.914 0.000 0.000 2.293 107 V HA 0.250 4.370 4.120 -0.000 0.000 0.275 107 V C 0.216 176.314 176.094 0.006 0.000 1.021 107 V CA -0.690 61.614 62.300 0.007 0.000 0.815 107 V CB 1.167 32.994 31.823 0.006 0.000 1.025 107 V HN 0.559 nan 8.190 nan 0.000 0.448 108 V N 1.789 121.707 119.914 0.005 0.000 3.093 108 V HA 0.813 4.933 4.120 -0.000 0.000 0.320 108 V C -0.036 176.058 176.094 -0.000 0.000 1.093 108 V CA -0.759 61.540 62.300 -0.002 0.000 1.016 108 V CB 2.049 33.865 31.823 -0.012 0.000 1.096 108 V HN 0.726 nan 8.190 nan 0.000 0.452 109 D N 1.575 121.971 120.400 -0.006 0.000 2.478 109 D HA 0.469 5.109 4.640 -0.000 0.000 0.274 109 D C 1.090 177.375 176.300 -0.024 0.000 1.234 109 D CA -0.046 53.951 54.000 -0.005 0.000 1.069 109 D CB 1.048 41.849 40.800 0.002 0.000 1.113 109 D HN 0.811 nan 8.370 nan 0.000 0.571 110 A N -0.800 122.002 122.820 -0.031 0.000 2.172 110 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 110 A C 2.101 179.615 177.584 -0.117 0.000 1.154 110 A CA 0.754 52.752 52.037 -0.065 0.000 0.701 110 A CB -0.765 18.202 19.000 -0.054 0.000 0.789 110 A HN 0.527 nan 8.150 nan 0.000 0.465 111 L N -2.406 118.754 121.223 -0.105 0.000 2.616 111 L HA 0.263 4.603 4.340 -0.000 0.000 0.229 111 L C 1.731 178.549 176.870 -0.088 0.000 1.110 111 L CA 0.635 55.395 54.840 -0.133 0.000 0.884 111 L CB 0.285 42.274 42.059 -0.116 0.000 1.115 111 L HN 0.542 nan 8.230 nan 0.000 0.481 112 G N -0.530 108.233 108.800 -0.062 0.000 2.238 112 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 112 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 112 G C 0.138 175.018 174.900 -0.035 0.000 0.996 112 G CA -0.428 44.643 45.100 -0.049 0.000 0.632 112 G HN 0.302 nan 8.290 nan 0.000 0.503 113 N N 1.683 120.366 118.700 -0.028 0.000 2.412 113 N HA 0.448 5.188 4.740 -0.000 0.000 0.254 113 N C 0.655 176.159 175.510 -0.011 0.000 1.232 113 N CA 0.864 53.904 53.050 -0.016 0.000 0.880 113 N CB 1.007 39.490 38.487 -0.007 0.000 1.076 113 N HN 0.854 nan 8.380 nan 0.000 0.458 114 A N 1.885 124.700 122.820 -0.008 0.000 2.425 114 A HA 0.337 4.657 4.320 -0.000 0.000 0.249 114 A C 1.309 178.893 177.584 -0.000 0.000 1.084 114 A CA -0.372 51.661 52.037 -0.006 0.000 0.781 114 A CB -0.217 18.779 19.000 -0.007 0.000 1.019 114 A HN 0.833 nan 8.150 nan 0.000 0.490 115 I N -1.480 119.091 120.570 0.002 0.000 4.442 115 I HA 0.237 4.407 4.170 -0.000 0.000 0.331 115 I C 0.133 176.253 176.117 0.004 0.000 1.364 115 I CA 0.022 61.326 61.300 0.006 0.000 1.207 115 I CB 0.429 38.435 38.000 0.010 0.000 1.298 115 I HN 0.448 nan 8.210 nan 0.000 0.463 116 D N 1.473 121.873 120.400 0.000 0.000 2.340 116 D HA 0.118 4.758 4.640 -0.000 0.000 0.220 116 D C 1.768 178.067 176.300 -0.003 0.000 1.039 116 D CA 0.652 54.650 54.000 -0.003 0.000 0.866 116 D CB -0.189 40.607 40.800 -0.006 0.000 0.913 116 D HN 0.438 nan 8.370 nan 0.000 0.523 117 G N 0.931 109.731 108.800 -0.001 0.000 2.212 117 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.267 117 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.267 117 G C 0.631 175.529 174.900 -0.002 0.000 1.002 117 G CA 0.476 45.575 45.100 -0.000 0.000 0.729 117 G HN 0.460 nan 8.290 nan 0.000 0.517 118 K N 0.661 121.058 120.400 -0.004 0.000 2.862 118 K HA 0.431 4.751 4.320 -0.000 0.000 0.229 118 K C 1.255 177.852 176.600 -0.005 0.000 1.107 118 K CA 0.334 56.618 56.287 -0.005 0.000 1.222 118 K CB -0.287 32.209 32.500 -0.006 0.000 1.067 118 K HN 1.323 nan 8.250 nan 0.000 0.464 119 G N 2.885 111.683 108.800 -0.004 0.000 2.728 119 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.686 119 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.686 119 G C -2.598 172.298 174.900 -0.006 0.000 1.337 119 G CA -1.315 43.782 45.100 -0.004 0.000 0.861 119 G HN 0.102 nan 8.290 nan 0.000 0.597 120 P HA 0.139 nan 4.420 nan 0.000 0.264 120 P C 0.591 177.882 177.300 -0.014 0.000 1.173 120 P CA 0.054 63.148 63.100 -0.010 0.000 0.761 120 P CB 0.301 31.995 31.700 -0.010 0.000 0.794 121 I N 1.810 122.368 120.570 -0.019 0.000 2.396 121 I HA 0.125 4.295 4.170 -0.000 0.000 0.289 121 I C 1.464 177.563 176.117 -0.031 0.000 1.056 121 I CA 0.055 61.340 61.300 -0.026 0.000 1.365 121 I CB 0.100 38.080 38.000 -0.034 0.000 1.407 121 I HN 0.396 nan 8.210 nan 0.000 0.509 122 G N 4.692 113.473 108.800 -0.031 0.000 3.064 122 G HA2 0.209 4.169 3.960 -0.000 0.000 0.286 122 G HA3 0.209 4.169 3.960 -0.000 0.000 0.286 122 G C 0.184 175.056 174.900 -0.047 0.000 0.834 122 G CA -0.137 44.944 45.100 -0.032 0.000 1.856 122 G HN 0.564 nan 8.290 nan 0.000 0.559 123 S N 0.565 116.231 115.700 -0.056 0.000 2.508 123 S HA 0.350 4.820 4.470 -0.000 0.000 0.284 123 S C 1.259 175.819 174.600 -0.067 0.000 1.192 123 S CA -0.685 57.468 58.200 -0.079 0.000 1.070 123 S CB 1.309 64.451 63.200 -0.096 0.000 1.004 123 S HN 0.568 nan 8.310 nan 0.000 0.493 124 K N 2.181 122.536 120.400 -0.076 0.000 2.141 124 K HA 0.281 4.601 4.320 -0.000 0.000 0.202 124 K C 0.809 177.378 176.600 -0.052 0.000 1.045 124 K CA 0.466 56.722 56.287 -0.053 0.000 0.971 124 K CB -0.034 32.442 32.500 -0.040 0.000 0.795 124 K HN 0.611 nan 8.250 nan 0.000 0.459 125 A N 1.592 124.368 122.820 -0.072 0.000 2.271 125 A HA 0.480 4.800 4.320 -0.000 0.000 0.288 125 A C -0.334 177.209 177.584 -0.068 0.000 1.094 125 A CA -0.339 51.664 52.037 -0.057 0.000 0.828 125 A CB 0.597 19.574 19.000 -0.038 0.000 1.091 125 A HN 0.148 nan 8.150 nan 0.000 0.493 126 R N -0.765 119.707 120.500 -0.046 0.000 2.867 126 R HA 0.734 5.074 4.340 -0.000 0.000 0.268 126 R C -0.959 175.324 176.300 -0.030 0.000 1.014 126 R CA -0.809 55.265 56.100 -0.043 0.000 0.946 126 R CB 2.419 32.698 30.300 -0.035 0.000 1.208 126 R HN 0.822 nan 8.270 nan 0.000 0.477 127 R N 1.125 121.607 120.500 -0.029 0.000 2.560 127 R HA 0.238 4.578 4.340 -0.000 0.000 0.267 127 R C -1.162 175.128 176.300 -0.017 0.000 1.150 127 R CA -0.652 55.438 56.100 -0.016 0.000 0.997 127 R CB 1.384 31.678 30.300 -0.009 0.000 1.250 127 R HN 0.563 nan 8.270 nan 0.000 0.433 128 R N 2.009 122.502 120.500 -0.013 0.000 2.679 128 R HA 0.014 4.354 4.340 -0.000 0.000 0.268 128 R C 1.451 177.742 176.300 -0.016 0.000 1.044 128 R CA 0.389 56.479 56.100 -0.017 0.000 1.105 128 R CB 0.625 30.917 30.300 -0.013 0.000 0.989 128 R HN 0.584 nan 8.270 nan 0.000 0.447 129 V N 0.107 120.005 119.914 -0.027 0.000 2.591 129 V HA 0.054 4.174 4.120 -0.000 0.000 0.249 129 V C 1.406 177.479 176.094 -0.035 0.000 1.053 129 V CA 1.712 64.002 62.300 -0.017 0.000 1.068 129 V CB -0.325 31.478 31.823 -0.032 0.000 0.689 129 V HN 0.882 nan 8.190 nan 0.000 0.462 130 G N 0.521 109.278 108.800 -0.072 0.000 3.181 130 G HA2 0.320 4.280 3.960 -0.000 0.000 0.219 130 G HA3 0.320 4.280 3.960 -0.000 0.000 0.219 130 G C 0.459 175.324 174.900 -0.058 0.000 1.182 130 G CA -0.434 44.600 45.100 -0.109 0.000 0.791 130 G HN 0.498 nan 8.290 nan 0.000 0.537 131 L N 0.262 121.470 121.223 -0.025 0.000 2.483 131 L HA 0.191 4.531 4.340 -0.000 0.000 0.275 131 L C 0.855 177.722 176.870 -0.006 0.000 1.220 131 L CA -0.279 54.556 54.840 -0.009 0.000 0.833 131 L CB 0.594 42.654 42.059 0.003 0.000 1.102 131 L HN 0.035 nan 8.230 nan 0.000 0.490 132 K N 1.972 122.374 120.400 0.004 0.000 2.270 132 K HA 0.444 4.764 4.320 -0.000 0.000 0.276 132 K C -0.155 176.451 176.600 0.009 0.000 1.023 132 K CA -0.389 55.907 56.287 0.014 0.000 0.955 132 K CB 1.112 33.626 32.500 0.023 0.000 0.975 132 K HN 0.633 nan 8.250 nan 0.000 0.471 133 A N 5.045 127.872 122.820 0.012 0.000 2.466 133 A HA 0.264 4.584 4.320 -0.000 0.000 0.238 133 A C -2.100 175.476 177.584 -0.012 0.000 1.074 133 A CA -1.099 50.939 52.037 0.003 0.000 0.774 133 A CB -0.565 18.439 19.000 0.006 0.000 1.015 133 A HN 0.679 nan 8.150 nan 0.000 0.498 134 P HA 0.193 nan 4.420 nan 0.000 0.266 134 P C 0.710 177.968 177.300 -0.069 0.000 1.195 134 P CA 0.508 63.565 63.100 -0.071 0.000 0.768 134 P CB 0.371 32.007 31.700 -0.106 0.000 0.838 135 G N 1.604 110.354 108.800 -0.083 0.000 2.486 135 G HA2 0.096 4.056 3.960 -0.000 0.000 0.272 135 G HA3 0.096 4.056 3.960 -0.000 0.000 0.272 135 G C 1.121 175.973 174.900 -0.080 0.000 1.426 135 G CA -0.518 44.543 45.100 -0.065 0.000 1.058 135 G HN 0.397 nan 8.290 nan 0.000 0.531 136 I N -0.825 119.711 120.570 -0.057 0.000 2.163 136 I HA -0.095 4.075 4.170 -0.000 0.000 0.240 136 I C 2.673 178.748 176.117 -0.070 0.000 1.081 136 I CA 0.620 61.891 61.300 -0.048 0.000 1.353 136 I CB -0.212 37.775 38.000 -0.022 0.000 1.054 136 I HN 0.279 nan 8.210 nan 0.000 0.407 137 I N 1.076 121.599 120.570 -0.078 0.000 2.118 137 I HA -0.223 3.947 4.170 -0.000 0.000 0.241 137 I C -0.460 175.558 176.117 -0.166 0.000 1.070 137 I CA 2.163 63.419 61.300 -0.075 0.000 1.327 137 I CB -1.418 36.572 38.000 -0.017 0.000 1.034 137 I HN 0.192 nan 8.210 nan 0.000 0.405 138 P HA -0.084 nan 4.420 nan 0.000 0.226 138 P C 0.331 177.419 177.300 -0.354 0.000 1.153 138 P CA 1.019 63.607 63.100 -0.852 0.000 0.777 138 P CB -0.021 30.912 31.700 -1.277 0.000 0.794 139 R N -0.376 120.014 120.500 -0.182 0.000 2.580 139 R HA 0.601 4.941 4.340 -0.000 0.000 0.267 139 R C -0.071 176.218 176.300 -0.019 0.000 1.125 139 R CA -0.593 55.461 56.100 -0.077 0.000 1.188 139 R CB 0.306 30.571 30.300 -0.059 0.000 1.155 139 R HN -0.027 nan 8.270 nan 0.000 0.586 140 I N -1.315 119.257 120.570 0.003 0.000 2.842 140 I HA 0.115 4.285 4.170 -0.000 0.000 0.297 140 I C -0.889 175.237 176.117 0.015 0.000 1.380 140 I CA -0.076 61.236 61.300 0.018 0.000 1.018 140 I CB 2.481 40.504 38.000 0.037 0.000 1.311 140 I HN 0.467 nan 8.210 nan 0.000 0.439 141 S N 4.371 120.080 115.700 0.014 0.000 2.563 141 S HA 0.204 4.674 4.470 -0.000 0.000 0.294 141 S C -0.056 174.549 174.600 0.009 0.000 1.279 141 S CA -0.013 58.194 58.200 0.010 0.000 1.069 141 S CB -0.008 63.198 63.200 0.010 0.000 0.828 141 S HN 0.853 nan 8.310 nan 0.000 0.497 142 V N 4.629 124.545 119.914 0.003 0.000 2.644 142 V HA 0.215 4.335 4.120 -0.000 0.000 0.305 142 V C 1.054 177.142 176.094 -0.010 0.000 1.053 142 V CA 0.189 62.486 62.300 -0.006 0.000 1.186 142 V CB 0.210 32.025 31.823 -0.013 0.000 0.895 142 V HN 0.999 nan 8.190 nan 0.000 0.490 143 R N 1.647 122.136 120.500 -0.017 0.000 2.556 143 R HA 0.381 4.721 4.340 -0.000 0.000 0.276 143 R C -0.083 176.195 176.300 -0.037 0.000 0.931 143 R CA -0.274 55.816 56.100 -0.017 0.000 1.061 143 R CB 0.457 30.755 30.300 -0.004 0.000 1.432 143 R HN 0.753 nan 8.270 nan 0.000 0.547 144 E N 3.628 123.788 120.200 -0.066 0.000 2.156 144 E HA 0.355 4.705 4.350 -0.000 0.000 0.279 144 E C -2.531 173.995 176.600 -0.123 0.000 0.965 144 E CA -2.471 53.864 56.400 -0.109 0.000 0.789 144 E CB 1.792 31.376 29.700 -0.192 0.000 1.098 144 E HN -0.025 nan 8.360 nan 0.000 0.397 145 P HA -0.022 nan 4.420 nan 0.000 0.269 145 P C -0.567 176.633 177.300 -0.167 0.000 1.215 145 P CA -0.062 62.977 63.100 -0.103 0.000 0.780 145 P CB 0.506 32.164 31.700 -0.070 0.000 0.898 146 M N 2.553 122.069 119.600 -0.142 0.000 2.066 146 M HA 0.121 4.601 4.480 -0.000 0.000 0.264 146 M C -0.497 175.729 176.300 -0.124 0.000 0.886 146 M CA -0.501 54.693 55.300 -0.177 0.000 0.810 146 M CB 0.188 32.707 32.600 -0.135 0.000 1.451 146 M HN 0.313 nan 8.290 nan 0.000 0.373 147 Q N 1.522 121.244 119.800 -0.129 0.000 2.315 147 Q HA 0.089 4.429 4.340 -0.000 0.000 0.289 147 Q C 1.037 177.041 176.000 0.006 0.000 1.044 147 Q CA 0.649 56.442 55.803 -0.017 0.000 0.920 147 Q CB 0.422 29.220 28.738 0.100 0.000 1.214 147 Q HN 0.697 nan 8.270 nan 0.000 0.392 148 T N -1.895 112.675 114.554 0.026 0.000 3.034 148 T HA 0.238 4.588 4.350 -0.000 0.000 0.248 148 T C 1.240 175.971 174.700 0.050 0.000 1.040 148 T CA 0.425 62.543 62.100 0.030 0.000 1.107 148 T CB 0.240 69.120 68.868 0.020 0.000 0.932 148 T HN 0.834 nan 8.240 nan 0.000 0.474 149 G N 1.675 110.508 108.800 0.055 0.000 2.175 149 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.244 149 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.244 149 G C 0.021 174.941 174.900 0.033 0.000 0.982 149 G CA -0.051 45.080 45.100 0.051 0.000 0.641 149 G HN 0.636 nan 8.290 nan 0.000 0.527 150 I N 1.706 122.293 120.570 0.029 0.000 2.312 150 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 150 I C 1.728 177.862 176.117 0.028 0.000 1.031 150 I CA -0.761 60.553 61.300 0.023 0.000 1.293 150 I CB 1.153 39.165 38.000 0.021 0.000 1.403 150 I HN 0.034 nan 8.210 nan 0.000 0.484 151 K N 4.798 125.215 120.400 0.028 0.000 2.034 151 K HA -0.269 4.051 4.320 -0.000 0.000 0.214 151 K C 2.044 178.664 176.600 0.033 0.000 1.051 151 K CA 1.883 58.189 56.287 0.031 0.000 0.931 151 K CB -0.346 32.173 32.500 0.031 0.000 0.715 151 K HN 0.783 nan 8.250 nan 0.000 0.446 152 A N 1.431 124.271 122.820 0.034 0.000 1.883 152 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 152 A C 2.550 180.157 177.584 0.039 0.000 1.186 152 A CA 1.818 53.878 52.037 0.039 0.000 0.624 152 A CB -0.805 18.222 19.000 0.046 0.000 0.822 152 A HN 0.108 nan 8.150 nan 0.000 0.444 153 V N 0.756 120.691 119.914 0.036 0.000 2.261 153 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 153 V C 2.013 178.123 176.094 0.027 0.000 1.047 153 V CA 2.221 64.540 62.300 0.031 0.000 1.015 153 V CB -0.888 30.951 31.823 0.026 0.000 0.642 153 V HN 0.502 nan 8.190 nan 0.000 0.446 154 D N 0.358 120.774 120.400 0.027 0.000 2.310 154 D HA -0.082 4.558 4.640 -0.000 0.000 0.212 154 D C 2.312 178.628 176.300 0.028 0.000 0.965 154 D CA 1.575 55.591 54.000 0.026 0.000 0.879 154 D CB 0.024 40.842 40.800 0.030 0.000 0.921 154 D HN 0.645 nan 8.370 nan 0.000 0.510 155 S N -0.405 115.313 115.700 0.031 0.000 2.460 155 S HA 0.070 4.540 4.470 -0.000 0.000 0.226 155 S C 1.972 176.590 174.600 0.030 0.000 1.057 155 S CA -0.009 58.209 58.200 0.031 0.000 0.948 155 S CB -0.167 63.053 63.200 0.033 0.000 0.822 155 S HN 0.133 nan 8.310 nan 0.000 0.512 156 L N 0.927 122.170 121.223 0.033 0.000 2.556 156 L HA 0.413 4.753 4.340 -0.000 0.000 0.226 156 L C 0.001 176.894 176.870 0.037 0.000 1.089 156 L CA 0.103 54.965 54.840 0.036 0.000 0.864 156 L CB 0.715 42.800 42.059 0.043 0.000 1.067 156 L HN 0.154 nan 8.230 nan 0.000 0.477 157 V N 0.392 120.326 119.914 0.033 0.000 2.575 157 V HA 0.230 4.350 4.120 -0.000 0.000 0.281 157 V C -2.428 173.676 176.094 0.017 0.000 1.087 157 V CA -1.167 61.151 62.300 0.030 0.000 1.193 157 V CB 0.341 32.186 31.823 0.037 0.000 1.426 157 V HN -0.027 nan 8.190 nan 0.000 0.623 158 P HA 0.037 nan 4.420 nan 0.000 0.258 158 P C -0.304 176.994 177.300 -0.004 0.000 1.172 158 P CA 0.576 63.679 63.100 0.005 0.000 0.762 158 P CB 0.333 32.036 31.700 0.005 0.000 0.764 159 I N 2.984 123.545 120.570 -0.014 0.000 2.396 159 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 159 I C 1.330 177.424 176.117 -0.038 0.000 0.999 159 I CA -0.527 60.758 61.300 -0.024 0.000 1.310 159 I CB 0.600 38.582 38.000 -0.030 0.000 1.404 159 I HN 0.307 nan 8.210 nan 0.000 0.496 160 G N 5.291 114.068 108.800 -0.037 0.000 2.462 160 G HA2 0.534 4.494 3.960 -0.000 0.000 0.319 160 G HA3 0.534 4.494 3.960 -0.000 0.000 0.319 160 G C -0.291 174.571 174.900 -0.064 0.000 1.171 160 G CA -0.816 44.255 45.100 -0.049 0.000 0.920 160 G HN 0.519 nan 8.290 nan 0.000 0.499 161 R N -0.212 120.234 120.500 -0.090 0.000 2.248 161 R HA 0.458 4.798 4.340 -0.000 0.000 0.328 161 R C 0.972 177.250 176.300 -0.036 0.000 1.067 161 R CA 1.119 57.159 56.100 -0.100 0.000 0.924 161 R CB 0.898 31.070 30.300 -0.214 0.000 1.013 161 R HN 1.026 nan 8.270 nan 0.000 0.454 162 G N 1.933 110.728 108.800 -0.008 0.000 2.168 162 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.197 162 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.197 162 G C 0.014 174.918 174.900 0.007 0.000 0.997 162 G CA -0.123 44.987 45.100 0.017 0.000 0.658 162 G HN 0.566 nan 8.290 nan 0.000 0.513 163 Q N -0.293 119.504 119.800 -0.005 0.000 2.249 163 Q HA 0.767 5.107 4.340 -0.000 0.000 0.226 163 Q C -0.178 175.821 176.000 -0.001 0.000 0.983 163 Q CA -0.695 55.106 55.803 -0.005 0.000 0.930 163 Q CB 0.599 29.329 28.738 -0.013 0.000 1.193 163 Q HN 0.227 nan 8.270 nan 0.000 0.508 164 R N 1.511 122.010 120.500 -0.002 0.000 2.409 164 R HA 0.335 4.675 4.340 -0.000 0.000 0.313 164 R C -1.611 174.680 176.300 -0.015 0.000 0.953 164 R CA -0.507 55.592 56.100 -0.002 0.000 0.849 164 R CB 1.770 32.067 30.300 -0.005 0.000 1.171 164 R HN 0.568 nan 8.270 nan 0.000 0.458 165 E N 2.870 123.057 120.200 -0.021 0.000 2.224 165 E HA 0.361 4.711 4.350 -0.000 0.000 0.265 165 E C -1.604 174.967 176.600 -0.048 0.000 0.878 165 E CA -0.897 55.482 56.400 -0.035 0.000 0.759 165 E CB 1.204 30.887 29.700 -0.029 0.000 1.164 165 E HN 0.408 nan 8.360 nan 0.000 0.414 166 L N 5.184 126.359 121.223 -0.079 0.000 2.312 166 L HA 0.504 4.844 4.340 -0.000 0.000 0.281 166 L C -1.113 175.689 176.870 -0.113 0.000 1.070 166 L CA -0.462 54.318 54.840 -0.099 0.000 0.805 166 L CB 0.740 42.721 42.059 -0.130 0.000 1.174 166 L HN 0.549 nan 8.230 nan 0.000 0.434 167 I N 6.943 127.463 120.570 -0.083 0.000 2.312 167 I HA 0.383 4.553 4.170 -0.000 0.000 0.290 167 I C -0.200 175.870 176.117 -0.078 0.000 1.008 167 I CA -0.151 61.109 61.300 -0.067 0.000 1.226 167 I CB 0.791 38.775 38.000 -0.026 0.000 1.371 167 I HN 0.639 nan 8.210 nan 0.000 0.468 168 I N 4.802 125.313 120.570 -0.098 0.000 2.582 168 I HA 0.847 5.017 4.170 -0.000 0.000 0.292 168 I C -0.322 175.804 176.117 0.016 0.000 1.066 168 I CA 0.045 61.303 61.300 -0.069 0.000 1.053 168 I CB 2.182 40.096 38.000 -0.144 0.000 1.241 168 I HN 0.705 nan 8.210 nan 0.000 0.421 169 G N 5.190 114.009 108.800 0.032 0.000 2.356 169 G HA2 0.210 4.170 3.960 -0.000 0.000 0.294 169 G HA3 0.210 4.170 3.960 -0.000 0.000 0.294 169 G C -1.876 173.037 174.900 0.021 0.000 1.423 169 G CA -0.688 44.442 45.100 0.051 0.000 0.806 169 G HN 0.491 nan 8.290 nan 0.000 0.527 170 D N -0.038 120.367 120.400 0.009 0.000 2.414 170 D HA 0.305 4.945 4.640 -0.000 0.000 0.259 170 D C 1.134 177.415 176.300 -0.032 0.000 1.269 170 D CA -0.190 53.808 54.000 -0.003 0.000 1.028 170 D CB 0.442 41.238 40.800 -0.006 0.000 1.093 170 D HN 0.684 nan 8.370 nan 0.000 0.545 171 R N 0.135 120.622 120.500 -0.023 0.000 2.679 171 R HA -0.009 4.331 4.340 -0.000 0.000 0.268 171 R C -0.118 176.134 176.300 -0.080 0.000 1.044 171 R CA -0.159 55.923 56.100 -0.030 0.000 1.105 171 R CB 0.150 30.449 30.300 -0.002 0.000 0.989 171 R HN 0.239 nan 8.270 nan 0.000 0.447 172 Q N 0.238 119.980 119.800 -0.096 0.000 2.453 172 Q HA -0.152 4.188 4.340 -0.000 0.000 0.294 172 Q C -0.016 175.690 176.000 -0.489 0.000 1.295 172 Q CA 1.683 57.381 55.803 -0.175 0.000 0.853 172 Q CB -1.472 27.218 28.738 -0.078 0.000 1.193 172 Q HN 0.983 nan 8.270 nan 0.000 0.461 173 T N -4.732 109.537 114.554 -0.474 0.000 3.054 173 T HA 0.426 4.776 4.350 -0.000 0.000 0.255 173 T C 1.057 175.407 174.700 -0.583 0.000 1.035 173 T CA 0.495 62.129 62.100 -0.777 0.000 0.941 173 T CB 1.041 69.719 68.868 -0.317 0.000 1.026 173 T HN 0.773 nan 8.240 nan 0.000 0.533 174 G N 1.883 110.509 108.800 -0.291 0.000 2.270 174 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.224 174 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.224 174 G C 0.505 175.413 174.900 0.012 0.000 1.079 174 G CA 0.191 45.286 45.100 -0.007 0.000 0.807 174 G HN 0.494 nan 8.290 nan 0.000 0.492 175 K N -0.548 119.842 120.400 -0.016 0.000 1.975 175 K HA -0.002 4.318 4.320 -0.000 0.000 0.210 175 K C 2.677 179.298 176.600 0.036 0.000 1.041 175 K CA 1.831 58.124 56.287 0.009 0.000 0.942 175 K CB -0.402 32.097 32.500 -0.000 0.000 0.729 175 K HN 0.255 nan 8.250 nan 0.000 0.439 176 T N 1.261 115.847 114.554 0.054 0.000 2.685 176 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 176 T C 2.002 176.740 174.700 0.063 0.000 1.034 176 T CA 1.687 63.844 62.100 0.095 0.000 1.149 176 T CB -0.376 68.562 68.868 0.118 0.000 0.860 176 T HN 0.138 nan 8.240 nan 0.000 0.449 177 S N 0.737 116.459 115.700 0.035 0.000 2.441 177 S HA -0.063 4.407 4.470 -0.000 0.000 0.242 177 S C 1.878 176.475 174.600 -0.005 0.000 1.018 177 S CA 0.823 59.022 58.200 -0.002 0.000 0.988 177 S CB -0.451 62.743 63.200 -0.011 0.000 0.778 177 S HN 0.482 nan 8.310 nan 0.000 0.498 178 I N 0.756 121.340 120.570 0.022 0.000 2.480 178 I HA -0.090 4.080 4.170 -0.000 0.000 0.251 178 I C 2.604 178.740 176.117 0.031 0.000 1.124 178 I CA 0.754 62.068 61.300 0.022 0.000 1.444 178 I CB -0.467 37.549 38.000 0.027 0.000 1.098 178 I HN 0.268 nan 8.210 nan 0.000 0.428 179 A N 1.679 124.531 122.820 0.054 0.000 1.883 179 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 179 A C 2.169 179.790 177.584 0.062 0.000 1.186 179 A CA 1.451 53.536 52.037 0.080 0.000 0.624 179 A CB -0.572 18.527 19.000 0.165 0.000 0.822 179 A HN 0.250 nan 8.150 nan 0.000 0.444 180 I N 0.774 121.366 120.570 0.036 0.000 2.076 180 I HA -0.235 3.935 4.170 -0.000 0.000 0.237 180 I C 1.897 178.038 176.117 0.040 0.000 1.059 180 I CA 1.885 63.195 61.300 0.018 0.000 1.317 180 I CB -2.008 36.001 38.000 0.015 0.000 1.037 180 I HN 0.261 nan 8.210 nan 0.000 0.398 181 D N 0.679 121.088 120.400 0.014 0.000 2.203 181 D HA -0.163 4.477 4.640 -0.000 0.000 0.199 181 D C 2.163 178.494 176.300 0.051 0.000 0.997 181 D CA 1.628 55.642 54.000 0.023 0.000 0.863 181 D CB -0.361 40.427 40.800 -0.019 0.000 0.928 181 D HN 0.346 nan 8.370 nan 0.000 0.458 182 T N 0.366 114.947 114.554 0.046 0.000 2.737 182 T HA -0.053 4.297 4.350 -0.000 0.000 0.265 182 T C 2.177 176.924 174.700 0.079 0.000 1.038 182 T CA 0.541 62.672 62.100 0.051 0.000 1.144 182 T CB -0.201 68.686 68.868 0.033 0.000 0.866 182 T HN 0.168 nan 8.240 nan 0.000 0.434 183 I N 0.676 121.301 120.570 0.091 0.000 2.118 183 I HA -0.186 3.984 4.170 -0.000 0.000 0.241 183 I C 2.359 178.623 176.117 0.245 0.000 1.070 183 I CA 1.473 62.864 61.300 0.152 0.000 1.327 183 I CB -0.435 37.627 38.000 0.104 0.000 1.034 183 I HN 0.195 nan 8.210 nan 0.000 0.405 184 I N 0.854 121.529 120.570 0.175 0.000 2.194 184 I HA -0.366 3.804 4.170 -0.000 0.000 0.246 184 I C 2.272 178.507 176.117 0.197 0.000 1.093 184 I CA 1.942 63.359 61.300 0.195 0.000 1.355 184 I CB -0.469 37.612 38.000 0.135 0.000 1.046 184 I HN 0.356 nan 8.210 nan 0.000 0.413 185 N N 0.282 119.068 118.700 0.144 0.000 2.430 185 N HA -0.248 4.492 4.740 -0.000 0.000 0.186 185 N C 1.787 177.411 175.510 0.190 0.000 1.032 185 N CA 0.981 54.111 53.050 0.133 0.000 0.893 185 N CB 0.100 38.665 38.487 0.129 0.000 0.957 185 N HN 0.180 nan 8.380 nan 0.000 0.442 186 Q N 0.675 120.566 119.800 0.153 0.000 2.167 186 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 186 Q C 1.681 177.610 176.000 -0.119 0.000 0.970 186 Q CA 0.970 56.797 55.803 0.040 0.000 0.855 186 Q CB -0.244 28.344 28.738 -0.249 0.000 0.911 186 Q HN 0.412 nan 8.270 nan 0.000 0.438 187 K N 0.660 120.995 120.400 -0.108 0.000 2.160 187 K HA -0.219 4.101 4.320 -0.000 0.000 0.206 187 K C 1.879 178.422 176.600 -0.096 0.000 1.047 187 K CA 1.434 57.689 56.287 -0.054 0.000 0.930 187 K CB -0.068 32.574 32.500 0.236 0.000 0.720 187 K HN 0.180 nan 8.250 nan 0.000 0.450 188 R N -0.031 120.374 120.500 -0.158 0.000 2.200 188 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 188 R C 1.120 177.139 176.300 -0.470 0.000 1.127 188 R CA 1.640 57.523 56.100 -0.362 0.000 0.989 188 R CB -0.252 29.741 30.300 -0.512 0.000 0.869 188 R HN 0.211 nan 8.270 nan 0.000 0.459 189 F N 0.395 120.243 119.950 -0.170 0.000 2.602 189 F HA 0.293 4.820 4.527 -0.000 0.000 0.284 189 F C 1.873 177.548 175.800 -0.209 0.000 1.111 189 F CA -0.327 57.571 58.000 -0.171 0.000 1.405 189 F CB -0.517 38.376 39.000 -0.178 0.000 1.121 189 F HN -0.105 nan 8.300 nan 0.000 0.603 190 N N 0.533 119.172 118.700 -0.101 0.000 2.309 190 N HA -0.138 4.602 4.740 -0.000 0.000 0.182 190 N C 0.697 176.157 175.510 -0.082 0.000 1.018 190 N CA 1.275 54.196 53.050 -0.214 0.000 0.876 190 N CB -0.348 37.836 38.487 -0.506 0.000 0.972 190 N HN 0.231 nan 8.380 nan 0.000 0.434 191 D N 0.059 120.425 120.400 -0.056 0.000 2.328 191 D HA 0.111 4.751 4.640 -0.000 0.000 0.226 191 D C 1.051 177.335 176.300 -0.027 0.000 1.066 191 D CA 0.073 54.061 54.000 -0.020 0.000 0.861 191 D CB -0.053 40.738 40.800 -0.015 0.000 0.912 191 D HN 0.150 nan 8.370 nan 0.000 0.521 192 G N -0.582 108.200 108.800 -0.031 0.000 2.532 192 G HA2 0.253 4.213 3.960 -0.000 0.000 0.291 192 G HA3 0.253 4.213 3.960 -0.000 0.000 0.291 192 G C 1.150 176.051 174.900 0.000 0.000 1.349 192 G CA -0.095 44.992 45.100 -0.023 0.000 1.038 192 G HN 0.024 nan 8.290 nan 0.000 0.518 193 T N -0.247 114.310 114.554 0.004 0.000 2.612 193 T HA -0.052 4.298 4.350 -0.000 0.000 0.259 193 T C 0.693 175.408 174.700 0.025 0.000 1.065 193 T CA 1.299 63.406 62.100 0.012 0.000 1.167 193 T CB -0.218 68.655 68.868 0.008 0.000 0.863 193 T HN 0.462 nan 8.240 nan 0.000 0.407 194 D N 0.759 121.180 120.400 0.034 0.000 2.210 194 D HA 0.146 4.786 4.640 -0.000 0.000 0.249 194 D C 0.918 177.249 176.300 0.050 0.000 1.078 194 D CA -0.380 53.646 54.000 0.043 0.000 0.875 194 D CB 1.224 42.052 40.800 0.047 0.000 1.175 194 D HN 0.010 nan 8.370 nan 0.000 0.440 195 E N 2.302 122.538 120.200 0.059 0.000 2.204 195 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 195 E C 0.957 177.616 176.600 0.099 0.000 0.989 195 E CA 0.814 57.261 56.400 0.078 0.000 0.824 195 E CB 0.226 29.978 29.700 0.087 0.000 0.756 195 E HN 0.501 nan 8.360 nan 0.000 0.477 196 K N 0.267 120.725 120.400 0.096 0.000 2.487 196 K HA 0.041 4.361 4.320 -0.000 0.000 0.192 196 K C 1.500 178.159 176.600 0.098 0.000 1.027 196 K CA 0.319 56.694 56.287 0.148 0.000 1.054 196 K CB 0.331 32.901 32.500 0.116 0.000 0.824 196 K HN -0.145 nan 8.250 nan 0.000 0.510 197 K N 0.552 120.976 120.400 0.040 0.000 2.387 197 K HA 0.132 4.452 4.320 -0.000 0.000 0.203 197 K C -0.136 176.384 176.600 -0.133 0.000 1.030 197 K CA 0.090 56.358 56.287 -0.033 0.000 1.099 197 K CB 0.650 33.199 32.500 0.082 0.000 0.863 197 K HN 0.034 nan 8.250 nan 0.000 0.529 198 K N 0.628 120.966 120.400 -0.102 0.000 2.210 198 K HA 0.462 4.782 4.320 -0.000 0.000 0.236 198 K C -0.948 175.472 176.600 -0.300 0.000 1.016 198 K CA -0.909 55.239 56.287 -0.233 0.000 0.913 198 K CB 1.149 33.484 32.500 -0.275 0.000 1.141 198 K HN -0.196 nan 8.250 nan 0.000 0.462 199 L N 1.827 122.758 121.223 -0.486 0.000 2.661 199 L HA 0.270 4.610 4.340 -0.000 0.000 0.263 199 L C -1.890 174.687 176.870 -0.487 0.000 0.956 199 L CA -0.270 54.344 54.840 -0.376 0.000 0.918 199 L CB 0.939 42.803 42.059 -0.324 0.000 1.280 199 L HN 0.463 nan 8.230 nan 0.000 0.416 200 Y N 3.130 123.267 120.300 -0.271 0.000 2.316 200 Y HA 0.452 5.002 4.550 -0.000 0.000 0.331 200 Y C 0.631 176.419 175.900 -0.188 0.000 1.083 200 Y CA -0.177 57.749 58.100 -0.289 0.000 1.206 200 Y CB 0.776 38.773 38.460 -0.771 0.000 1.195 200 Y HN 0.501 nan 8.280 nan 0.000 0.497 201 C N 4.607 123.975 119.300 0.113 0.000 2.370 201 C HA 0.699 5.159 4.460 -0.000 0.000 0.354 201 C C -0.041 174.985 174.990 0.060 0.000 1.218 201 C CA -0.892 58.173 59.018 0.079 0.000 2.154 201 C CB -0.153 27.672 27.740 0.142 0.000 2.391 201 C HN 0.563 nan 8.230 nan 0.000 0.540 202 I N 1.795 122.381 120.570 0.027 0.000 2.498 202 I HA 0.341 4.511 4.170 -0.000 0.000 0.290 202 I C -0.734 175.392 176.117 0.015 0.000 1.032 202 I CA -0.341 60.971 61.300 0.019 0.000 1.073 202 I CB 1.043 39.034 38.000 -0.015 0.000 1.251 202 I HN 0.650 nan 8.210 nan 0.000 0.426 203 Y N 6.469 126.718 120.300 -0.085 0.000 2.338 203 Y HA 0.717 5.267 4.550 -0.000 0.000 0.328 203 Y C -1.083 174.765 175.900 -0.086 0.000 0.965 203 Y CA -0.903 57.141 58.100 -0.093 0.000 1.208 203 Y CB 1.281 39.708 38.460 -0.055 0.000 1.132 203 Y HN 0.324 nan 8.280 nan 0.000 0.469 204 V N 5.704 125.335 119.914 -0.472 0.000 2.407 204 V HA 0.756 4.876 4.120 -0.000 0.000 0.278 204 V C -0.027 175.787 176.094 -0.466 0.000 1.037 204 V CA -0.542 61.556 62.300 -0.337 0.000 0.900 204 V CB 0.938 32.630 31.823 -0.218 0.000 0.983 204 V HN 0.896 nan 8.190 nan 0.000 0.459 205 A N 6.911 129.598 122.820 -0.222 0.000 2.291 205 A HA 0.885 5.205 4.320 -0.000 0.000 0.311 205 A C -0.663 176.894 177.584 -0.043 0.000 1.224 205 A CA -0.470 51.493 52.037 -0.123 0.000 0.821 205 A CB 0.447 19.496 19.000 0.082 0.000 1.172 205 A HN 0.799 nan 8.150 nan 0.000 0.494 206 I N 1.849 122.395 120.570 -0.041 0.000 2.436 206 I HA 0.567 4.737 4.170 -0.000 0.000 0.289 206 I C 1.208 177.339 176.117 0.024 0.000 1.010 206 I CA -0.242 61.057 61.300 -0.002 0.000 1.098 206 I CB 1.880 39.869 38.000 -0.017 0.000 1.266 206 I HN 0.955 nan 8.210 nan 0.000 0.434 207 G N 3.592 112.418 108.800 0.045 0.000 2.196 207 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.268 207 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.268 207 G C 0.487 175.417 174.900 0.050 0.000 0.975 207 G CA 0.071 45.202 45.100 0.052 0.000 0.648 207 G HN 0.608 nan 8.290 nan 0.000 0.538 208 Q N -0.055 119.776 119.800 0.051 0.000 2.631 208 Q HA 0.437 4.776 4.340 -0.000 0.000 0.210 208 Q C 0.505 176.538 176.000 0.056 0.000 1.094 208 Q CA 0.145 55.984 55.803 0.060 0.000 1.055 208 Q CB 0.396 29.185 28.738 0.086 0.000 1.261 208 Q HN 0.449 nan 8.270 nan 0.000 0.615 209 K N 0.716 121.149 120.400 0.055 0.000 2.172 209 K HA 0.185 4.505 4.320 -0.000 0.000 0.276 209 K C 1.329 177.957 176.600 0.047 0.000 1.013 209 K CA -0.327 55.987 56.287 0.046 0.000 0.913 209 K CB 0.937 33.462 32.500 0.042 0.000 1.055 209 K HN 0.371 nan 8.250 nan 0.000 0.461 210 R N 0.934 121.458 120.500 0.040 0.000 2.073 210 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 210 R C 1.734 178.052 176.300 0.031 0.000 1.134 210 R CA 1.699 57.822 56.100 0.037 0.000 0.952 210 R CB -0.481 29.837 30.300 0.030 0.000 0.850 210 R HN 0.591 nan 8.270 nan 0.000 0.433 211 S N 0.875 116.591 115.700 0.027 0.000 2.409 211 S HA -0.219 4.251 4.470 -0.000 0.000 0.237 211 S C 1.973 176.586 174.600 0.022 0.000 1.060 211 S CA 2.288 60.501 58.200 0.021 0.000 1.052 211 S CB -0.658 62.555 63.200 0.022 0.000 0.871 211 S HN 0.455 nan 8.310 nan 0.000 0.465 212 T N 1.770 116.343 114.554 0.032 0.000 2.851 212 T HA 0.036 4.386 4.350 -0.000 0.000 0.262 212 T C 1.999 176.716 174.700 0.028 0.000 1.043 212 T CA 1.113 63.233 62.100 0.034 0.000 1.140 212 T CB -0.493 68.406 68.868 0.052 0.000 0.872 212 T HN 0.275 nan 8.240 nan 0.000 0.446 213 V N 2.079 122.018 119.914 0.042 0.000 2.358 213 V HA -0.121 3.999 4.120 -0.000 0.000 0.246 213 V C 3.026 179.120 176.094 0.001 0.000 1.047 213 V CA 1.519 63.842 62.300 0.039 0.000 1.035 213 V CB -1.381 30.486 31.823 0.074 0.000 0.658 213 V HN 0.529 nan 8.190 nan 0.000 0.452 214 A N -0.392 122.432 122.820 0.006 0.000 1.927 214 A HA -0.351 3.969 4.320 -0.000 0.000 0.220 214 A C 2.157 179.729 177.584 -0.021 0.000 1.185 214 A CA 2.407 54.440 52.037 -0.007 0.000 0.639 214 A CB -0.508 18.492 19.000 -0.000 0.000 0.820 214 A HN 0.672 nan 8.150 nan 0.000 0.451 215 Q N -1.110 118.679 119.800 -0.018 0.000 2.331 215 Q HA 0.163 4.503 4.340 -0.000 0.000 0.203 215 Q C 1.990 177.962 176.000 -0.048 0.000 0.944 215 Q CA 0.322 56.109 55.803 -0.028 0.000 0.892 215 Q CB -0.061 28.669 28.738 -0.012 0.000 0.983 215 Q HN 0.614 nan 8.270 nan 0.000 0.482 216 L N 1.017 122.205 121.223 -0.058 0.000 2.027 216 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 216 L C 2.341 179.134 176.870 -0.128 0.000 1.074 216 L CA 1.552 56.327 54.840 -0.109 0.000 0.745 216 L CB -0.499 41.464 42.059 -0.160 0.000 0.898 216 L HN 0.262 nan 8.230 nan 0.000 0.433 217 V N -2.101 117.751 119.914 -0.103 0.000 2.453 217 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 217 V C 2.650 178.688 176.094 -0.092 0.000 1.048 217 V CA 1.338 63.579 62.300 -0.099 0.000 1.049 217 V CB -0.718 31.063 31.823 -0.070 0.000 0.672 217 V HN 0.288 nan 8.190 nan 0.000 0.457 218 K N 1.185 121.538 120.400 -0.078 0.000 2.044 218 K HA -0.245 4.075 4.320 -0.000 0.000 0.210 218 K C 2.408 178.946 176.600 -0.103 0.000 1.049 218 K CA 2.448 58.688 56.287 -0.079 0.000 0.927 218 K CB -0.607 31.851 32.500 -0.069 0.000 0.713 218 K HN 0.541 nan 8.250 nan 0.000 0.443 219 R N 0.890 121.321 120.500 -0.116 0.000 2.096 219 R HA 0.011 4.351 4.340 -0.000 0.000 0.235 219 R C 2.378 178.600 176.300 -0.130 0.000 1.127 219 R CA 1.237 57.245 56.100 -0.153 0.000 0.968 219 R CB -0.568 29.644 30.300 -0.147 0.000 0.861 219 R HN 0.237 nan 8.270 nan 0.000 0.440 220 L N -0.774 120.377 121.223 -0.120 0.000 2.056 220 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 220 L C 2.223 179.009 176.870 -0.140 0.000 1.078 220 L CA 1.796 56.556 54.840 -0.133 0.000 0.749 220 L CB -0.715 41.247 42.059 -0.160 0.000 0.901 220 L HN 0.280 nan 8.230 nan 0.000 0.433 221 T N -0.573 113.908 114.554 -0.121 0.000 2.674 221 T HA -0.174 4.176 4.350 -0.000 0.000 0.265 221 T C 1.354 175.999 174.700 -0.092 0.000 1.039 221 T CA 1.622 63.660 62.100 -0.103 0.000 1.150 221 T CB -0.184 68.635 68.868 -0.082 0.000 0.864 221 T HN 0.308 nan 8.240 nan 0.000 0.427 222 D N 1.154 121.498 120.400 -0.094 0.000 2.309 222 D HA 0.017 4.657 4.640 -0.000 0.000 0.212 222 D C 1.660 177.911 176.300 -0.081 0.000 0.968 222 D CA 0.668 54.616 54.000 -0.087 0.000 0.882 222 D CB -0.184 40.554 40.800 -0.103 0.000 0.918 222 D HN 0.439 nan 8.370 nan 0.000 0.503 223 A N 0.079 122.848 122.820 -0.085 0.000 2.308 223 A HA 0.089 4.409 4.320 -0.000 0.000 0.217 223 A C 0.356 177.913 177.584 -0.045 0.000 1.216 223 A CA 0.111 52.115 52.037 -0.055 0.000 0.864 223 A CB 0.240 19.220 19.000 -0.034 0.000 0.902 223 A HN -0.009 nan 8.150 nan 0.000 0.499 224 D N -2.239 118.115 120.400 -0.077 0.000 2.718 224 D HA -0.174 4.466 4.640 -0.000 0.000 0.242 224 D C 0.605 176.818 176.300 -0.145 0.000 1.123 224 D CA 0.989 54.942 54.000 -0.078 0.000 0.690 224 D CB -1.206 39.583 40.800 -0.018 0.000 1.059 224 D HN 0.518 nan 8.370 nan 0.000 0.429 225 A N 0.140 122.761 122.820 -0.333 0.000 2.226 225 A HA 0.175 4.495 4.320 -0.000 0.000 0.207 225 A C 2.005 179.016 177.584 -0.955 0.000 1.293 225 A CA 0.138 51.661 52.037 -0.857 0.000 0.968 225 A CB 0.122 18.851 19.000 -0.450 0.000 1.044 225 A HN 0.289 nan 8.150 nan 0.000 0.493 226 M N 1.210 120.547 119.600 -0.438 0.000 2.296 226 M HA -0.135 4.345 4.480 -0.000 0.000 0.265 226 M C 1.963 178.129 176.300 -0.223 0.000 1.064 226 M CA 1.857 56.991 55.300 -0.277 0.000 1.109 226 M CB -0.886 31.621 32.600 -0.155 0.000 1.396 226 M HN 0.670 nan 8.290 nan 0.000 0.430 227 K N 0.575 120.842 120.400 -0.222 0.000 2.218 227 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 227 K C 0.950 177.573 176.600 0.038 0.000 1.046 227 K CA 1.868 58.120 56.287 -0.059 0.000 0.933 227 K CB -0.850 31.656 32.500 0.009 0.000 0.728 227 K HN 0.520 nan 8.250 nan 0.000 0.454 228 Y N -0.946 119.376 120.300 0.036 0.000 2.696 228 Y HA 0.509 5.059 4.550 -0.000 0.000 0.260 228 Y C -0.571 175.358 175.900 0.048 0.000 1.165 228 Y CA -1.101 57.032 58.100 0.055 0.000 1.189 228 Y CB 0.103 38.535 38.460 -0.046 0.000 1.180 228 Y HN -0.209 nan 8.280 nan 0.000 0.538 229 T N 2.085 116.625 114.554 -0.024 0.000 2.893 229 T HA 0.642 4.992 4.350 -0.000 0.000 0.291 229 T C -0.554 174.163 174.700 0.029 0.000 1.028 229 T CA -0.506 61.599 62.100 0.007 0.000 0.995 229 T CB 1.902 70.707 68.868 -0.106 0.000 1.051 229 T HN 0.169 nan 8.240 nan 0.000 0.470 230 I N 1.464 122.067 120.570 0.055 0.000 2.750 230 I HA 0.701 4.871 4.170 -0.000 0.000 0.308 230 I C -0.854 175.294 176.117 0.053 0.000 1.016 230 I CA -1.168 60.163 61.300 0.051 0.000 1.098 230 I CB 2.142 40.182 38.000 0.068 0.000 1.279 230 I HN 0.204 nan 8.210 nan 0.000 0.454 231 V N 4.860 124.801 119.914 0.046 0.000 2.532 231 V HA 0.283 4.403 4.120 -0.000 0.000 0.294 231 V C -0.410 175.716 176.094 0.053 0.000 1.036 231 V CA -0.594 61.753 62.300 0.078 0.000 0.876 231 V CB 1.950 33.820 31.823 0.079 0.000 1.012 231 V HN 0.388 nan 8.190 nan 0.000 0.432 232 V N 3.383 123.319 119.914 0.036 0.000 2.439 232 V HA 0.614 4.734 4.120 -0.000 0.000 0.282 232 V C 0.311 176.414 176.094 0.016 0.000 1.039 232 V CA -0.199 62.105 62.300 0.007 0.000 0.913 232 V CB 1.771 33.580 31.823 -0.024 0.000 0.983 232 V HN 0.819 nan 8.190 nan 0.000 0.460 233 S N 2.899 118.611 115.700 0.020 0.000 2.561 233 S HA 0.779 5.249 4.470 -0.000 0.000 0.303 233 S C -0.175 174.439 174.600 0.024 0.000 1.110 233 S CA -0.382 57.837 58.200 0.030 0.000 1.034 233 S CB 1.606 64.833 63.200 0.045 0.000 1.010 233 S HN 1.079 nan 8.310 nan 0.000 0.482 234 A N 3.119 125.955 122.820 0.026 0.000 2.702 234 A HA 0.621 4.941 4.320 -0.000 0.000 0.305 234 A C 0.243 177.854 177.584 0.046 0.000 1.213 234 A CA -0.720 51.341 52.037 0.040 0.000 0.745 234 A CB 0.092 19.117 19.000 0.042 0.000 1.161 234 A HN 0.679 nan 8.150 nan 0.000 0.445 235 T N -1.367 113.216 114.554 0.049 0.000 2.884 235 T HA 0.595 4.945 4.350 -0.000 0.000 0.277 235 T C 1.564 176.295 174.700 0.052 0.000 0.976 235 T CA 0.044 62.174 62.100 0.050 0.000 0.956 235 T CB 1.175 70.072 68.868 0.048 0.000 1.113 235 T HN 1.273 nan 8.240 nan 0.000 0.554 236 A N 0.159 123.008 122.820 0.049 0.000 2.159 236 A HA -0.096 4.224 4.320 -0.000 0.000 0.222 236 A C 2.344 179.955 177.584 0.045 0.000 1.163 236 A CA 2.170 54.235 52.037 0.047 0.000 0.664 236 A CB -1.201 17.825 19.000 0.043 0.000 0.803 236 A HN 0.802 nan 8.150 nan 0.000 0.470 237 S N -1.050 114.676 115.700 0.044 0.000 2.523 237 S HA 0.104 4.574 4.470 -0.000 0.000 0.217 237 S C -0.008 174.620 174.600 0.046 0.000 0.996 237 S CA -0.458 57.766 58.200 0.041 0.000 0.921 237 S CB -0.159 63.062 63.200 0.035 0.000 0.829 237 S HN 0.518 nan 8.310 nan 0.000 0.495 238 D N 2.402 122.835 120.400 0.056 0.000 2.264 238 D HA 0.425 5.065 4.640 -0.000 0.000 0.249 238 D C 0.246 176.594 176.300 0.081 0.000 1.070 238 D CA 0.050 54.090 54.000 0.068 0.000 0.912 238 D CB 1.539 42.382 40.800 0.073 0.000 1.193 238 D HN 0.377 nan 8.370 nan 0.000 0.427 239 A N 1.496 124.368 122.820 0.087 0.000 2.587 239 A HA 0.229 4.548 4.320 -0.000 0.000 0.233 239 A C 1.481 179.142 177.584 0.127 0.000 1.049 239 A CA 0.546 52.638 52.037 0.092 0.000 0.754 239 A CB 0.172 19.224 19.000 0.087 0.000 0.977 239 A HN 0.670 nan 8.150 nan 0.000 0.509 240 A N 3.741 126.630 122.820 0.114 0.000 1.903 240 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 240 A C -0.038 177.694 177.584 0.247 0.000 1.191 240 A CA 2.239 54.367 52.037 0.151 0.000 0.638 240 A CB -1.809 17.255 19.000 0.107 0.000 0.823 240 A HN 0.663 nan 8.150 nan 0.000 0.451 241 P HA -0.141 nan 4.420 nan 0.000 0.217 241 P C 1.321 178.947 177.300 0.543 0.000 1.148 241 P CA 1.011 64.355 63.100 0.407 0.000 0.828 241 P CB -0.164 31.648 31.700 0.186 0.000 0.783 242 L N -1.172 120.280 121.223 0.381 0.000 2.095 242 L HA -0.120 4.220 4.340 -0.000 0.000 0.204 242 L C 2.682 179.662 176.870 0.184 0.000 1.080 242 L CA 1.325 56.328 54.840 0.273 0.000 0.759 242 L CB -1.171 41.001 42.059 0.188 0.000 0.914 242 L HN -0.065 nan 8.230 nan 0.000 0.439 243 Q N -0.710 119.204 119.800 0.189 0.000 2.096 243 Q HA -0.271 4.069 4.340 -0.000 0.000 0.204 243 Q C 2.133 178.236 176.000 0.172 0.000 0.982 243 Q CA 2.131 58.023 55.803 0.148 0.000 0.850 243 Q CB -0.478 28.345 28.738 0.142 0.000 0.901 243 Q HN 0.477 nan 8.270 nan 0.000 0.422 244 Y N 1.517 121.909 120.300 0.154 0.000 2.049 244 Y HA -0.277 4.273 4.550 -0.000 0.000 0.277 244 Y C 2.042 178.062 175.900 0.200 0.000 1.143 244 Y CA 1.536 59.746 58.100 0.185 0.000 1.115 244 Y CB -0.719 37.889 38.460 0.247 0.000 0.975 244 Y HN 0.098 nan 8.280 nan 0.000 0.487 245 L N 1.133 122.223 121.223 -0.221 0.000 2.079 245 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 245 L C 2.555 179.342 176.870 -0.139 0.000 1.081 245 L CA 2.036 56.728 54.840 -0.246 0.000 0.752 245 L CB -1.481 40.526 42.059 -0.086 0.000 0.896 245 L HN 0.415 nan 8.230 nan 0.000 0.433 246 A N 0.579 123.340 122.820 -0.099 0.000 1.906 246 A HA -0.270 4.050 4.320 -0.000 0.000 0.222 246 A C 0.051 177.560 177.584 -0.125 0.000 1.282 246 A CA 2.711 54.693 52.037 -0.091 0.000 0.675 246 A CB -2.483 16.486 19.000 -0.051 0.000 0.838 246 A HN 0.509 nan 8.150 nan 0.000 0.469 247 P HA -0.131 nan 4.420 nan 0.000 0.220 247 P C 0.919 178.073 177.300 -0.243 0.000 1.148 247 P CA 1.290 64.272 63.100 -0.198 0.000 0.803 247 P CB -0.268 31.152 31.700 -0.467 0.000 0.782 248 Y N 0.288 120.526 120.300 -0.103 0.000 2.200 248 Y HA -0.091 4.459 4.550 -0.000 0.000 0.290 248 Y C 2.803 178.666 175.900 -0.062 0.000 1.137 248 Y CA 1.223 59.256 58.100 -0.112 0.000 1.163 248 Y CB -1.427 36.908 38.460 -0.208 0.000 0.988 248 Y HN -0.074 nan 8.280 nan 0.000 0.518 249 S N -0.038 115.682 115.700 0.033 0.000 2.351 249 S HA -0.213 4.257 4.470 -0.000 0.000 0.220 249 S C 2.490 177.094 174.600 0.006 0.000 1.035 249 S CA 1.456 59.653 58.200 -0.006 0.000 1.031 249 S CB -1.209 61.961 63.200 -0.051 0.000 0.928 249 S HN 0.644 nan 8.310 nan 0.000 0.433 250 G N 0.323 109.120 108.800 -0.005 0.000 2.513 250 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.219 250 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.219 250 G C 1.784 176.696 174.900 0.021 0.000 1.160 250 G CA 1.260 46.351 45.100 -0.014 0.000 0.767 250 G HN 0.601 nan 8.290 nan 0.000 0.571 251 C N 0.386 119.733 119.300 0.077 0.000 2.401 251 C HA -0.062 4.398 4.460 -0.000 0.000 0.276 251 C C 3.276 178.320 174.990 0.090 0.000 1.233 251 C CA 1.829 60.917 59.018 0.117 0.000 1.753 251 C CB -1.076 26.774 27.740 0.184 0.000 2.029 251 C HN 0.368 nan 8.230 nan 0.000 0.478 252 S N 0.374 116.116 115.700 0.071 0.000 2.370 252 S HA -0.178 4.292 4.470 -0.000 0.000 0.226 252 S C 1.753 176.387 174.600 0.057 0.000 1.033 252 S CA 2.130 60.362 58.200 0.053 0.000 1.011 252 S CB -0.355 62.861 63.200 0.027 0.000 0.852 252 S HN 0.679 nan 8.310 nan 0.000 0.457 253 M N 0.660 120.290 119.600 0.051 0.000 2.117 253 M HA -0.053 4.427 4.480 -0.000 0.000 0.262 253 M C 2.482 178.903 176.300 0.202 0.000 1.065 253 M CA 1.558 56.897 55.300 0.066 0.000 1.114 253 M CB -0.920 31.715 32.600 0.058 0.000 1.361 253 M HN 0.433 nan 8.290 nan 0.000 0.408 254 G N -0.034 108.886 108.800 0.199 0.000 2.422 254 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 254 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 254 G C 1.368 176.434 174.900 0.277 0.000 1.140 254 G CA 0.616 45.887 45.100 0.285 0.000 0.775 254 G HN 0.493 nan 8.290 nan 0.000 0.545 255 E N -0.753 119.547 120.200 0.166 0.000 2.204 255 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 255 E C 1.868 178.520 176.600 0.087 0.000 0.989 255 E CA 0.601 57.069 56.400 0.113 0.000 0.824 255 E CB -0.202 29.542 29.700 0.073 0.000 0.756 255 E HN 0.652 nan 8.360 nan 0.000 0.477 256 Y N 0.608 120.848 120.300 -0.101 0.000 2.070 256 Y HA -0.317 4.233 4.550 -0.000 0.000 0.280 256 Y C 1.742 177.493 175.900 -0.249 0.000 1.148 256 Y CA 1.878 59.822 58.100 -0.261 0.000 1.125 256 Y CB -0.592 37.580 38.460 -0.481 0.000 0.975 256 Y HN -0.056 nan 8.280 nan 0.000 0.492 257 F N 0.601 120.564 119.950 0.022 0.000 2.120 257 F HA -0.212 4.315 4.527 -0.000 0.000 0.300 257 F C 2.826 178.541 175.800 -0.142 0.000 1.095 257 F CA 2.019 59.940 58.000 -0.131 0.000 1.249 257 F CB -0.841 38.182 39.000 0.039 0.000 0.995 257 F HN 0.013 nan 8.300 nan 0.000 0.480 258 R N 0.633 121.203 120.500 0.117 0.000 2.081 258 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 258 R C 1.592 177.877 176.300 -0.026 0.000 1.131 258 R CA 1.993 58.123 56.100 0.050 0.000 0.960 258 R CB -0.456 29.887 30.300 0.071 0.000 0.856 258 R HN 0.159 nan 8.270 nan 0.000 0.436 259 D N 0.298 120.661 120.400 -0.062 0.000 2.310 259 D HA -0.082 4.558 4.640 -0.000 0.000 0.212 259 D C -0.031 176.179 176.300 -0.151 0.000 0.965 259 D CA 1.021 54.969 54.000 -0.086 0.000 0.879 259 D CB -0.123 40.634 40.800 -0.071 0.000 0.921 259 D HN 0.369 nan 8.370 nan 0.000 0.510 260 N N -0.734 117.815 118.700 -0.252 0.000 2.699 260 N HA 0.344 5.084 4.740 -0.000 0.000 0.317 260 N C 0.735 176.136 175.510 -0.182 0.000 1.661 260 N CA -0.004 52.890 53.050 -0.260 0.000 0.979 260 N CB 1.247 39.466 38.487 -0.447 0.000 1.329 260 N HN -0.051 nan 8.380 nan 0.000 0.497 261 G N 0.292 109.010 108.800 -0.137 0.000 2.200 261 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.268 261 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.268 261 G C 0.287 175.046 174.900 -0.235 0.000 0.986 261 G CA 0.783 45.795 45.100 -0.147 0.000 0.677 261 G HN 0.378 nan 8.290 nan 0.000 0.532 262 K N -0.653 119.626 120.400 -0.202 0.000 2.267 262 K HA 0.615 4.935 4.320 -0.000 0.000 0.236 262 K C -0.477 175.957 176.600 -0.277 0.000 1.030 262 K CA -0.876 55.334 56.287 -0.129 0.000 0.930 262 K CB 0.788 33.390 32.500 0.170 0.000 1.182 262 K HN 0.259 nan 8.250 nan 0.000 0.474 263 H N -0.349 118.837 119.070 0.193 0.000 2.823 263 H HA 0.404 4.960 4.556 -0.000 0.000 0.332 263 H C -0.981 174.395 175.328 0.080 0.000 0.980 263 H CA -0.588 55.518 56.048 0.097 0.000 1.286 263 H CB 1.694 31.456 29.762 -0.000 0.000 1.541 263 H HN 0.703 nan 8.280 nan 0.000 0.521 264 A N 2.891 125.819 122.820 0.180 0.000 2.322 264 A HA 0.665 4.985 4.320 -0.000 0.000 0.327 264 A C -1.051 176.550 177.584 0.029 0.000 1.134 264 A CA -0.697 51.378 52.037 0.064 0.000 0.831 264 A CB 1.565 20.624 19.000 0.097 0.000 1.288 264 A HN 0.449 nan 8.150 nan 0.000 0.472 265 L N 1.046 122.261 121.223 -0.014 0.000 2.406 265 L HA 0.704 5.044 4.340 -0.000 0.000 0.272 265 L C -1.124 175.707 176.870 -0.066 0.000 0.980 265 L CA -0.242 54.576 54.840 -0.036 0.000 0.831 265 L CB 1.278 43.313 42.059 -0.039 0.000 1.253 265 L HN 0.678 nan 8.230 nan 0.000 0.406 266 I N 5.517 126.006 120.570 -0.134 0.000 2.441 266 I HA 0.539 4.709 4.170 -0.000 0.000 0.295 266 I C -1.108 174.765 176.117 -0.406 0.000 0.994 266 I CA -0.569 60.544 61.300 -0.311 0.000 1.144 266 I CB 1.388 39.112 38.000 -0.461 0.000 1.314 266 I HN 0.615 nan 8.210 nan 0.000 0.445 267 I N 7.860 128.171 120.570 -0.432 0.000 2.411 267 I HA 0.236 4.406 4.170 -0.000 0.000 0.284 267 I C -1.335 174.475 176.117 -0.511 0.000 1.012 267 I CA -0.478 60.616 61.300 -0.343 0.000 1.119 267 I CB 1.109 39.060 38.000 -0.082 0.000 1.261 267 I HN 0.421 nan 8.210 nan 0.000 0.448 268 Y N 4.432 124.587 120.300 -0.241 0.000 2.454 268 Y HA 0.324 4.874 4.550 -0.000 0.000 0.345 268 Y C 0.099 175.831 175.900 -0.280 0.000 0.970 268 Y CA -0.653 57.273 58.100 -0.291 0.000 1.204 268 Y CB 0.479 38.771 38.460 -0.280 0.000 1.122 268 Y HN 0.387 nan 8.280 nan 0.000 0.514 269 D N 3.884 124.156 120.400 -0.212 0.000 2.454 269 D HA 0.201 4.841 4.640 -0.000 0.000 0.247 269 D C -1.026 175.213 176.300 -0.102 0.000 1.129 269 D CA -0.245 53.660 54.000 -0.160 0.000 0.877 269 D CB 0.847 41.504 40.800 -0.237 0.000 1.082 269 D HN 0.579 nan 8.370 nan 0.000 0.537 270 D N 2.564 122.932 120.400 -0.053 0.000 2.392 270 D HA 0.243 4.883 4.640 -0.000 0.000 0.246 270 D C 1.388 177.639 176.300 -0.082 0.000 1.013 270 D CA -0.675 53.292 54.000 -0.054 0.000 0.993 270 D CB 2.393 43.181 40.800 -0.020 0.000 1.219 270 D HN 0.256 nan 8.370 nan 0.000 0.538 271 L N 0.380 121.517 121.223 -0.142 0.000 2.418 271 L HA -0.062 4.278 4.340 -0.000 0.000 0.218 271 L C 2.322 179.183 176.870 -0.016 0.000 1.125 271 L CA 0.367 55.064 54.840 -0.238 0.000 0.835 271 L CB -0.100 41.559 42.059 -0.667 0.000 0.953 271 L HN 0.249 nan 8.230 nan 0.000 0.454 272 S N 0.559 116.259 115.700 0.001 0.000 2.351 272 S HA -0.196 4.274 4.470 -0.000 0.000 0.220 272 S C 1.880 176.542 174.600 0.102 0.000 1.035 272 S CA 1.484 59.719 58.200 0.058 0.000 1.031 272 S CB -0.083 63.143 63.200 0.044 0.000 0.928 272 S HN 0.406 nan 8.310 nan 0.000 0.433 273 K N 1.066 121.513 120.400 0.077 0.000 2.283 273 K HA -0.092 4.228 4.320 -0.000 0.000 0.202 273 K C 2.343 179.018 176.600 0.126 0.000 1.048 273 K CA 0.759 57.104 56.287 0.097 0.000 0.948 273 K CB -0.159 32.383 32.500 0.070 0.000 0.742 273 K HN 0.428 nan 8.250 nan 0.000 0.458 274 Q N 1.232 121.101 119.800 0.116 0.000 2.046 274 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 274 Q C 2.164 178.316 176.000 0.253 0.000 0.975 274 Q CA 1.352 57.252 55.803 0.162 0.000 0.836 274 Q CB -0.108 28.688 28.738 0.097 0.000 0.896 274 Q HN 0.301 nan 8.270 nan 0.000 0.428 275 A N 0.914 123.885 122.820 0.253 0.000 1.917 275 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 275 A C 2.204 180.014 177.584 0.377 0.000 1.182 275 A CA 2.180 54.359 52.037 0.238 0.000 0.633 275 A CB -1.243 17.800 19.000 0.072 0.000 0.819 275 A HN 0.486 nan 8.150 nan 0.000 0.448 276 V N -2.643 117.464 119.914 0.320 0.000 2.626 276 V HA 0.015 4.135 4.120 -0.000 0.000 0.252 276 V C 2.410 178.613 176.094 0.181 0.000 1.067 276 V CA 1.849 64.305 62.300 0.260 0.000 1.081 276 V CB -1.271 30.657 31.823 0.175 0.000 0.686 276 V HN 0.552 nan 8.190 nan 0.000 0.468 277 A N -0.362 122.581 122.820 0.205 0.000 1.873 277 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 277 A C 2.200 179.903 177.584 0.199 0.000 1.186 277 A CA 1.831 53.981 52.037 0.189 0.000 0.616 277 A CB -1.026 18.112 19.000 0.229 0.000 0.823 277 A HN 0.730 nan 8.150 nan 0.000 0.442 278 Y N 0.771 121.125 120.300 0.090 0.000 2.181 278 Y HA -0.206 4.344 4.550 -0.000 0.000 0.288 278 Y C 2.482 178.374 175.900 -0.013 0.000 1.146 278 Y CA 1.967 60.046 58.100 -0.034 0.000 1.164 278 Y CB -0.451 38.011 38.460 0.004 0.000 0.982 278 Y HN 0.373 nan 8.280 nan 0.000 0.515 279 R N 0.319 120.835 120.500 0.026 0.000 2.096 279 R HA -0.221 4.119 4.340 -0.000 0.000 0.235 279 R C 2.425 178.638 176.300 -0.144 0.000 1.127 279 R CA 1.788 57.826 56.100 -0.105 0.000 0.968 279 R CB -0.478 29.790 30.300 -0.054 0.000 0.861 279 R HN 0.574 nan 8.270 nan 0.000 0.440 280 Q N 0.391 120.152 119.800 -0.065 0.000 2.084 280 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 280 Q C 2.037 177.976 176.000 -0.101 0.000 0.978 280 Q CA 1.990 57.753 55.803 -0.066 0.000 0.844 280 Q CB -0.070 28.660 28.738 -0.015 0.000 0.898 280 Q HN 0.447 nan 8.270 nan 0.000 0.426 281 M N 0.036 119.563 119.600 -0.121 0.000 2.086 281 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 281 M C 2.357 178.526 176.300 -0.217 0.000 1.067 281 M CA 1.781 56.989 55.300 -0.153 0.000 1.116 281 M CB -0.106 32.404 32.600 -0.149 0.000 1.348 281 M HN 0.120 nan 8.290 nan 0.000 0.407 282 S N 0.880 116.360 115.700 -0.366 0.000 2.368 282 S HA -0.076 4.394 4.470 -0.000 0.000 0.225 282 S C 1.903 176.387 174.600 -0.193 0.000 1.030 282 S CA 1.176 59.170 58.200 -0.343 0.000 0.999 282 S CB -0.539 62.365 63.200 -0.494 0.000 0.844 282 S HN 0.402 nan 8.310 nan 0.000 0.459 283 L N 0.906 122.032 121.223 -0.162 0.000 2.093 283 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 283 L C 2.201 179.016 176.870 -0.091 0.000 1.085 283 L CA 0.919 55.691 54.840 -0.113 0.000 0.755 283 L CB -0.663 41.334 42.059 -0.103 0.000 0.904 283 L HN 0.288 nan 8.230 nan 0.000 0.435 284 L N -0.405 120.763 121.223 -0.093 0.000 2.141 284 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 284 L C 2.328 179.157 176.870 -0.068 0.000 1.094 284 L CA 0.973 55.770 54.840 -0.072 0.000 0.763 284 L CB -0.288 41.732 42.059 -0.065 0.000 0.908 284 L HN 0.275 nan 8.230 nan 0.000 0.437 285 L N -0.876 120.297 121.223 -0.084 0.000 2.478 285 L HA 0.005 4.345 4.340 -0.000 0.000 0.223 285 L C 0.976 177.813 176.870 -0.055 0.000 1.140 285 L CA 0.443 55.243 54.840 -0.067 0.000 0.842 285 L CB -0.055 41.959 42.059 -0.075 0.000 0.953 285 L HN 0.240 nan 8.230 nan 0.000 0.452 286 R N -0.571 119.891 120.500 -0.062 0.000 3.822 286 R HA -0.119 4.221 4.340 -0.000 0.000 0.366 286 R C -0.071 176.200 176.300 -0.048 0.000 1.137 286 R CA 0.171 56.241 56.100 -0.050 0.000 0.933 286 R CB -1.530 28.749 30.300 -0.036 0.000 1.522 286 R HN 0.301 nan 8.270 nan 0.000 0.519 287 R N 1.839 122.302 120.500 -0.062 0.000 2.438 287 R HA 0.174 4.513 4.340 -0.000 0.000 0.287 287 R C -2.011 174.265 176.300 -0.040 0.000 1.077 287 R CA -1.516 54.555 56.100 -0.048 0.000 1.034 287 R CB 0.284 30.549 30.300 -0.059 0.000 0.993 287 R HN -0.098 nan 8.270 nan 0.000 0.459 288 P HA -0.055 nan 4.420 nan 0.000 0.255 288 P C -2.362 174.933 177.300 -0.009 0.000 1.161 288 P CA -0.628 62.463 63.100 -0.014 0.000 0.768 288 P CB -0.197 31.502 31.700 -0.002 0.000 0.746 289 P HA 0.204 nan 4.420 nan 0.000 0.276 289 P C 0.405 177.709 177.300 0.007 0.000 1.230 289 P CA 0.211 63.303 63.100 -0.014 0.000 0.776 289 P CB 1.245 32.923 31.700 -0.037 0.000 0.888 290 G N 2.401 111.226 108.800 0.042 0.000 3.247 290 G HA2 0.315 4.275 3.960 -0.000 0.000 0.163 290 G HA3 0.315 4.275 3.960 -0.000 0.000 0.163 290 G C -0.499 174.409 174.900 0.014 0.000 1.206 290 G CA -0.822 44.294 45.100 0.026 0.000 0.918 290 G HN 0.541 nan 8.290 nan 0.000 0.625 291 R N 0.689 121.150 120.500 -0.064 0.000 2.523 291 R HA 0.045 4.385 4.340 -0.000 0.000 0.281 291 R C 0.156 176.523 176.300 0.112 0.000 0.969 291 R CA 1.132 57.155 56.100 -0.127 0.000 1.093 291 R CB -0.283 29.680 30.300 -0.560 0.000 0.917 291 R HN 0.694 nan 8.270 nan 0.000 0.408 292 E N 2.534 122.797 120.200 0.104 0.000 2.805 292 E HA -0.352 3.998 4.350 -0.000 0.000 0.266 292 E C 0.356 176.936 176.600 -0.034 0.000 1.092 292 E CA 0.550 57.029 56.400 0.132 0.000 0.781 292 E CB -1.112 28.810 29.700 0.370 0.000 1.379 292 E HN 0.897 nan 8.360 nan 0.000 0.433 293 A N -2.394 120.411 122.820 -0.025 0.000 3.396 293 A HA -0.304 4.016 4.320 -0.000 0.000 0.267 293 A C 0.077 177.596 177.584 -0.108 0.000 1.139 293 A CA 1.740 53.718 52.037 -0.098 0.000 1.115 293 A CB -1.967 16.938 19.000 -0.159 0.000 1.133 293 A HN 0.411 nan 8.150 nan 0.000 0.920 294 Y N 0.993 121.362 120.300 0.115 0.000 2.411 294 Y HA 0.422 4.972 4.550 -0.000 0.000 0.333 294 Y C -1.320 174.649 175.900 0.115 0.000 1.186 294 Y CA -1.131 57.048 58.100 0.132 0.000 1.381 294 Y CB 0.279 38.883 38.460 0.241 0.000 1.273 294 Y HN 0.249 nan 8.280 nan 0.000 0.546 295 P HA -0.003 nan 4.420 nan 0.000 0.270 295 P C 0.694 178.122 177.300 0.214 0.000 1.223 295 P CA 0.157 63.328 63.100 0.119 0.000 0.785 295 P CB 0.842 32.530 31.700 -0.021 0.000 0.923 296 G N 1.849 110.749 108.800 0.168 0.000 2.462 296 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 296 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 296 G C 0.721 175.758 174.900 0.228 0.000 1.121 296 G CA 0.752 45.964 45.100 0.187 0.000 0.758 296 G HN 0.639 nan 8.290 nan 0.000 0.559 297 D N 0.784 121.334 120.400 0.250 0.000 2.342 297 D HA -0.008 4.632 4.640 -0.000 0.000 0.221 297 D C 2.199 178.671 176.300 0.287 0.000 1.101 297 D CA 0.458 54.640 54.000 0.303 0.000 0.837 297 D CB -0.380 40.618 40.800 0.330 0.000 0.938 297 D HN 0.326 nan 8.370 nan 0.000 0.508 298 V N -1.950 118.099 119.914 0.225 0.000 2.867 298 V HA -0.133 3.987 4.120 -0.000 0.000 0.260 298 V C 2.185 178.201 176.094 -0.131 0.000 1.099 298 V CA 0.935 63.244 62.300 0.015 0.000 1.122 298 V CB -1.529 30.204 31.823 -0.150 0.000 0.708 298 V HN 0.153 nan 8.190 nan 0.000 0.490 299 F N 1.113 121.010 119.950 -0.088 0.000 2.146 299 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 299 F C 2.285 178.100 175.800 0.025 0.000 1.096 299 F CA 1.765 59.718 58.000 -0.079 0.000 1.275 299 F CB -0.560 38.439 39.000 -0.002 0.000 1.008 299 F HN 0.177 nan 8.300 nan 0.000 0.480 300 Y N 0.891 121.139 120.300 -0.087 0.000 2.274 300 Y HA -0.163 4.387 4.550 -0.000 0.000 0.290 300 Y C 2.092 177.872 175.900 -0.201 0.000 1.145 300 Y CA 1.465 59.448 58.100 -0.196 0.000 1.203 300 Y CB -0.782 37.690 38.460 0.020 0.000 0.984 300 Y HN 0.255 nan 8.280 nan 0.000 0.533 301 L N -0.213 120.856 121.223 -0.257 0.000 2.081 301 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 301 L C 2.059 178.852 176.870 -0.128 0.000 1.080 301 L CA 2.352 57.018 54.840 -0.289 0.000 0.754 301 L CB -0.687 41.132 42.059 -0.401 0.000 0.893 301 L HN 0.403 nan 8.230 nan 0.000 0.433 302 H N -2.234 116.653 119.070 -0.305 0.000 2.418 302 H HA 0.016 4.572 4.556 -0.000 0.000 0.300 302 H C 2.335 177.427 175.328 -0.394 0.000 1.041 302 H CA 0.687 56.526 56.048 -0.348 0.000 1.364 302 H CB 0.059 29.630 29.762 -0.319 0.000 1.439 302 H HN 0.467 nan 8.280 nan 0.000 0.540 303 S N 2.083 117.518 115.700 -0.443 0.000 2.359 303 S HA -0.269 4.201 4.470 -0.000 0.000 0.224 303 S C 2.118 176.599 174.600 -0.198 0.000 1.035 303 S CA 1.381 59.340 58.200 -0.401 0.000 1.018 303 S CB -0.420 62.417 63.200 -0.605 0.000 0.876 303 S HN 0.510 nan 8.310 nan 0.000 0.448 304 R N 1.239 121.600 120.500 -0.232 0.000 2.080 304 R HA -0.073 4.267 4.340 -0.000 0.000 0.236 304 R C 2.324 178.569 176.300 -0.092 0.000 1.137 304 R CA 1.493 57.482 56.100 -0.185 0.000 0.943 304 R CB -1.147 28.887 30.300 -0.443 0.000 0.846 304 R HN 0.412 nan 8.270 nan 0.000 0.431 305 L N 1.695 122.882 121.223 -0.060 0.000 1.944 305 L HA -0.147 4.193 4.340 -0.000 0.000 0.218 305 L C 2.317 179.112 176.870 -0.125 0.000 1.075 305 L CA 1.775 56.569 54.840 -0.077 0.000 0.767 305 L CB -0.618 41.241 42.059 -0.333 0.000 0.890 305 L HN 0.268 nan 8.230 nan 0.000 0.434 306 L N -0.349 120.767 121.223 -0.179 0.000 2.549 306 L HA -0.116 4.224 4.340 -0.000 0.000 0.230 306 L C 2.370 179.214 176.870 -0.043 0.000 1.162 306 L CA 0.516 55.291 54.840 -0.109 0.000 0.834 306 L CB -0.661 41.316 42.059 -0.136 0.000 0.947 306 L HN 0.405 nan 8.230 nan 0.000 0.452 307 E N 0.425 120.601 120.200 -0.039 0.000 2.216 307 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 307 E C 2.147 178.750 176.600 0.004 0.000 0.988 307 E CA 0.543 56.937 56.400 -0.011 0.000 0.834 307 E CB 0.127 29.826 29.700 -0.002 0.000 0.772 307 E HN 0.526 nan 8.360 nan 0.000 0.479 308 R N 0.797 121.304 120.500 0.012 0.000 2.189 308 R HA 0.014 4.354 4.340 -0.000 0.000 0.223 308 R C 1.130 177.456 176.300 0.044 0.000 1.092 308 R CA 0.553 56.671 56.100 0.031 0.000 0.989 308 R CB -0.160 30.169 30.300 0.047 0.000 0.876 308 R HN -0.059 nan 8.270 nan 0.000 0.457 309 A N 1.104 123.953 122.820 0.048 0.000 2.407 309 A HA 0.612 4.932 4.320 -0.000 0.000 0.248 309 A C -0.050 177.553 177.584 0.032 0.000 1.082 309 A CA 0.245 52.313 52.037 0.052 0.000 0.785 309 A CB 0.495 19.528 19.000 0.055 0.000 1.020 309 A HN 0.328 nan 8.150 nan 0.000 0.489 310 A N 1.125 123.965 122.820 0.034 0.000 2.550 310 A HA 0.588 4.908 4.320 -0.000 0.000 0.295 310 A C -1.065 176.539 177.584 0.034 0.000 1.001 310 A CA -0.617 51.432 52.037 0.021 0.000 0.660 310 A CB 0.716 19.718 19.000 0.004 0.000 1.308 310 A HN 1.110 nan 8.150 nan 0.000 0.426 311 K N 2.282 122.698 120.400 0.026 0.000 2.389 311 K HA 0.612 4.932 4.320 -0.000 0.000 0.261 311 K C -0.333 176.285 176.600 0.030 0.000 1.014 311 K CA -0.441 55.873 56.287 0.044 0.000 0.920 311 K CB 0.266 32.788 32.500 0.036 0.000 1.149 311 K HN 0.643 nan 8.250 nan 0.000 0.444 312 M N 2.512 122.137 119.600 0.043 0.000 2.228 312 M HA 0.204 4.684 4.480 -0.000 0.000 0.326 312 M C 0.443 176.796 176.300 0.088 0.000 1.122 312 M CA -0.444 54.881 55.300 0.040 0.000 1.161 312 M CB 0.114 32.755 32.600 0.068 0.000 1.437 312 M HN 0.696 nan 8.290 nan 0.000 0.465 313 N N 0.266 119.044 118.700 0.130 0.000 2.491 313 N HA 0.218 4.958 4.740 -0.000 0.000 0.279 313 N C 0.057 175.665 175.510 0.164 0.000 1.236 313 N CA -0.524 52.610 53.050 0.141 0.000 0.982 313 N CB 0.378 38.953 38.487 0.147 0.000 1.194 313 N HN 0.379 nan 8.380 nan 0.000 0.582 314 D N -0.104 120.361 120.400 0.108 0.000 2.103 314 D HA -0.208 4.432 4.640 -0.000 0.000 0.190 314 D C 1.765 178.087 176.300 0.038 0.000 0.997 314 D CA 2.401 56.439 54.000 0.065 0.000 0.833 314 D CB -0.973 39.850 40.800 0.038 0.000 0.961 314 D HN 0.719 nan 8.370 nan 0.000 0.447 315 A N -0.436 122.401 122.820 0.028 0.000 2.148 315 A HA -0.185 4.135 4.320 -0.000 0.000 0.222 315 A C 1.344 178.683 177.584 -0.408 0.000 1.161 315 A CA 1.140 53.079 52.037 -0.164 0.000 0.662 315 A CB -0.693 18.190 19.000 -0.196 0.000 0.799 315 A HN 0.245 nan 8.150 nan 0.000 0.466 316 F N -2.245 117.698 119.950 -0.011 0.000 2.724 316 F HA 0.443 4.970 4.527 -0.000 0.000 0.310 316 F C 1.614 177.395 175.800 -0.031 0.000 1.107 316 F CA 0.416 58.405 58.000 -0.019 0.000 1.218 316 F CB 0.741 39.733 39.000 -0.013 0.000 1.042 316 F HN 0.297 nan 8.300 nan 0.000 0.540 317 G N -0.429 108.413 108.800 0.070 0.000 2.278 317 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.210 317 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.210 317 G C 1.340 176.251 174.900 0.019 0.000 1.000 317 G CA -0.078 45.033 45.100 0.018 0.000 0.635 317 G HN 1.011 nan 8.290 nan 0.000 0.495 318 G N -0.164 108.677 108.800 0.069 0.000 2.189 318 G HA2 0.115 4.075 3.960 -0.000 0.000 0.267 318 G HA3 0.115 4.075 3.960 -0.000 0.000 0.267 318 G C 1.732 176.673 174.900 0.069 0.000 0.975 318 G CA 1.244 46.391 45.100 0.078 0.000 0.644 318 G HN 2.151 nan 8.290 nan 0.000 0.537 319 G N -0.437 108.346 108.800 -0.028 0.000 2.647 319 G HA2 0.619 4.579 3.960 -0.000 0.000 0.271 319 G HA3 0.619 4.579 3.960 -0.000 0.000 0.271 319 G C 0.391 175.332 174.900 0.069 0.000 1.300 319 G CA 1.293 46.300 45.100 -0.154 0.000 0.997 319 G HN 2.044 nan 8.290 nan 0.000 0.533 320 S N -2.118 113.671 115.700 0.149 0.000 2.578 320 S HA 0.506 4.976 4.470 -0.000 0.000 0.272 320 S C -1.758 172.949 174.600 0.178 0.000 1.145 320 S CA -0.808 57.522 58.200 0.217 0.000 0.835 320 S CB 1.648 65.033 63.200 0.308 0.000 1.104 320 S HN 1.287 nan 8.310 nan 0.000 0.458 321 L N 1.577 122.867 121.223 0.111 0.000 2.409 321 L HA 0.802 5.142 4.340 -0.000 0.000 0.272 321 L C -0.857 176.043 176.870 0.051 0.000 0.980 321 L CA 0.213 55.106 54.840 0.088 0.000 0.826 321 L CB 2.025 44.135 42.059 0.086 0.000 1.268 321 L HN 0.947 nan 8.230 nan 0.000 0.407 322 T N 4.452 119.021 114.554 0.025 0.000 2.770 322 T HA 0.817 5.167 4.350 -0.000 0.000 0.283 322 T C -0.405 174.288 174.700 -0.012 0.000 0.988 322 T CA -0.303 61.797 62.100 -0.000 0.000 0.957 322 T CB 1.314 70.167 68.868 -0.026 0.000 0.930 322 T HN 0.785 nan 8.240 nan 0.000 0.443 323 A N 3.846 126.674 122.820 0.012 0.000 2.288 323 A HA 0.746 5.066 4.320 -0.000 0.000 0.320 323 A C -0.332 177.265 177.584 0.021 0.000 1.217 323 A CA -0.668 51.387 52.037 0.031 0.000 0.840 323 A CB 0.423 19.529 19.000 0.177 0.000 1.179 323 A HN 0.886 nan 8.150 nan 0.000 0.504 324 L N 5.144 126.363 121.223 -0.008 0.000 2.435 324 L HA 0.319 4.659 4.340 -0.000 0.000 0.253 324 L C -2.298 174.581 176.870 0.015 0.000 1.087 324 L CA -1.737 53.099 54.840 -0.007 0.000 0.950 324 L CB 1.514 43.561 42.059 -0.020 0.000 1.304 324 L HN 0.507 nan 8.230 nan 0.000 0.453 325 P HA 0.203 nan 4.420 nan 0.000 0.278 325 P C -0.553 176.726 177.300 -0.034 0.000 1.238 325 P CA -0.218 62.917 63.100 0.059 0.000 0.794 325 P CB 2.108 33.783 31.700 -0.040 0.000 0.955 326 V N 3.975 123.861 119.914 -0.048 0.000 2.581 326 V HA 0.443 4.563 4.120 -0.000 0.000 0.303 326 V C 0.304 176.357 176.094 -0.069 0.000 1.041 326 V CA -0.604 61.666 62.300 -0.052 0.000 0.907 326 V CB 1.680 33.487 31.823 -0.028 0.000 0.994 326 V HN 0.422 nan 8.190 nan 0.000 0.442 327 I N 3.126 123.662 120.570 -0.057 0.000 2.499 327 I HA 0.399 4.569 4.170 -0.000 0.000 0.288 327 I C -0.152 175.956 176.117 -0.015 0.000 1.048 327 I CA -0.397 60.877 61.300 -0.044 0.000 1.062 327 I CB 2.037 40.005 38.000 -0.053 0.000 1.238 327 I HN 0.768 nan 8.210 nan 0.000 0.426 328 E N 5.644 125.846 120.200 0.004 0.000 2.081 328 E HA 0.336 4.686 4.350 -0.000 0.000 0.276 328 E C -0.513 176.108 176.600 0.034 0.000 0.950 328 E CA -0.313 56.097 56.400 0.017 0.000 0.776 328 E CB 1.111 30.823 29.700 0.019 0.000 1.094 328 E HN 0.695 nan 8.360 nan 0.000 0.402 329 T N 1.893 116.471 114.554 0.040 0.000 2.882 329 T HA 0.272 4.622 4.350 -0.000 0.000 0.287 329 T C 0.182 174.910 174.700 0.046 0.000 1.014 329 T CA -0.906 61.226 62.100 0.054 0.000 1.049 329 T CB 1.486 70.397 68.868 0.071 0.000 1.001 329 T HN 0.347 nan 8.240 nan 0.000 0.525 330 Q N 0.418 120.248 119.800 0.051 0.000 2.256 330 Q HA 0.525 4.865 4.340 -0.000 0.000 0.257 330 Q C 0.658 176.677 176.000 0.032 0.000 0.936 330 Q CA -0.238 55.589 55.803 0.040 0.000 0.903 330 Q CB 1.502 30.267 28.738 0.044 0.000 1.263 330 Q HN 1.205 nan 8.270 nan 0.000 0.440 331 A N 2.015 124.845 122.820 0.017 0.000 2.715 331 A HA -0.209 4.111 4.320 -0.000 0.000 0.301 331 A C 1.174 178.764 177.584 0.008 0.000 1.515 331 A CA 1.450 53.489 52.037 0.004 0.000 0.816 331 A CB -2.176 16.824 19.000 -0.001 0.000 1.004 331 A HN 1.539 nan 8.150 nan 0.000 0.483 332 G N -1.203 107.610 108.800 0.022 0.000 2.166 332 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 332 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 332 G C -0.006 174.921 174.900 0.044 0.000 0.986 332 G CA 1.037 46.157 45.100 0.033 0.000 0.683 332 G HN 1.569 nan 8.290 nan 0.000 0.527 333 D N 0.289 120.717 120.400 0.048 0.000 2.383 333 D HA 0.386 5.026 4.640 -0.000 0.000 0.245 333 D C 1.408 177.758 176.300 0.084 0.000 1.263 333 D CA -0.111 53.923 54.000 0.056 0.000 0.936 333 D CB 0.710 41.543 40.800 0.054 0.000 1.053 333 D HN 0.031 nan 8.370 nan 0.000 0.507 334 V N 2.747 122.720 119.914 0.099 0.000 3.573 334 V HA -0.055 4.065 4.120 -0.000 0.000 0.270 334 V C 2.000 178.169 176.094 0.125 0.000 1.221 334 V CA 0.782 63.171 62.300 0.148 0.000 1.163 334 V CB -0.055 31.913 31.823 0.240 0.000 0.847 334 V HN 0.442 nan 8.190 nan 0.000 0.468 335 S N -0.014 115.744 115.700 0.097 0.000 2.558 335 S HA 0.322 4.791 4.470 -0.000 0.000 0.217 335 S C 1.277 175.940 174.600 0.105 0.000 0.975 335 S CA 0.359 58.614 58.200 0.092 0.000 0.912 335 S CB -0.051 63.191 63.200 0.070 0.000 0.776 335 S HN 0.603 nan 8.310 nan 0.000 0.526 336 A N 0.776 123.663 122.820 0.111 0.000 2.504 336 A HA 0.111 4.431 4.320 -0.000 0.000 0.242 336 A C 0.971 178.672 177.584 0.196 0.000 1.100 336 A CA 0.095 52.217 52.037 0.142 0.000 0.786 336 A CB -0.268 18.811 19.000 0.131 0.000 1.050 336 A HN 0.391 nan 8.150 nan 0.000 0.512 337 Y N 0.888 121.220 120.300 0.052 0.000 2.070 337 Y HA -0.222 4.328 4.550 -0.000 0.000 0.280 337 Y C 2.042 177.943 175.900 0.001 0.000 1.148 337 Y CA 2.112 60.231 58.100 0.032 0.000 1.125 337 Y CB -0.389 38.102 38.460 0.053 0.000 0.975 337 Y HN 0.491 nan 8.280 nan 0.000 0.492 338 I N 0.719 121.235 120.570 -0.091 0.000 2.099 338 I HA -0.234 3.936 4.170 -0.000 0.000 0.239 338 I C -0.250 175.831 176.117 -0.060 0.000 1.066 338 I CA 1.674 62.837 61.300 -0.228 0.000 1.324 338 I CB -2.904 34.929 38.000 -0.279 0.000 1.037 338 I HN 0.165 nan 8.210 nan 0.000 0.401 339 P HA -0.166 nan 4.420 nan 0.000 0.215 339 P C 1.876 179.203 177.300 0.046 0.000 1.157 339 P CA 2.677 65.796 63.100 0.030 0.000 0.874 339 P CB -0.364 31.372 31.700 0.061 0.000 0.790 340 T N -3.376 111.224 114.554 0.078 0.000 2.720 340 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 340 T C 1.757 176.514 174.700 0.096 0.000 1.037 340 T CA 1.567 63.724 62.100 0.095 0.000 1.144 340 T CB -1.335 67.604 68.868 0.119 0.000 0.864 340 T HN -0.038 nan 8.240 nan 0.000 0.444 341 N N 1.503 120.252 118.700 0.082 0.000 2.018 341 N HA -0.090 4.650 4.740 -0.000 0.000 0.196 341 N C 1.986 177.600 175.510 0.173 0.000 1.043 341 N CA 1.570 54.707 53.050 0.145 0.000 0.856 341 N CB -1.060 37.441 38.487 0.023 0.000 1.042 341 N HN 0.359 nan 8.380 nan 0.000 0.423 342 V N 1.228 121.192 119.914 0.083 0.000 2.407 342 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 342 V C 2.207 178.314 176.094 0.022 0.000 1.055 342 V CA 1.121 63.443 62.300 0.036 0.000 1.049 342 V CB -0.457 31.351 31.823 -0.026 0.000 0.662 342 V HN 0.283 nan 8.190 nan 0.000 0.455 343 I N 1.170 121.756 120.570 0.027 0.000 2.361 343 I HA -0.193 3.977 4.170 -0.000 0.000 0.251 343 I C 2.385 178.531 176.117 0.050 0.000 1.133 343 I CA 1.784 63.091 61.300 0.012 0.000 1.413 343 I CB -0.285 37.727 38.000 0.021 0.000 1.073 343 I HN 0.482 nan 8.210 nan 0.000 0.424 344 S N -0.122 115.638 115.700 0.099 0.000 2.660 344 S HA 0.124 4.594 4.470 -0.000 0.000 0.223 344 S C 1.346 176.055 174.600 0.182 0.000 0.963 344 S CA 0.292 58.573 58.200 0.135 0.000 0.932 344 S CB -0.340 62.949 63.200 0.148 0.000 0.775 344 S HN 0.454 nan 8.310 nan 0.000 0.531 345 I N 0.680 121.324 120.570 0.123 0.000 3.873 345 I HA 0.084 4.254 4.170 -0.000 0.000 0.284 345 I C 1.477 177.610 176.117 0.026 0.000 1.186 345 I CA 0.449 61.797 61.300 0.081 0.000 1.362 345 I CB -0.370 37.634 38.000 0.007 0.000 1.432 345 I HN 0.330 nan 8.210 nan 0.000 0.454 346 T N -1.255 113.299 114.554 0.000 0.000 2.652 346 T HA 0.052 4.402 4.350 -0.000 0.000 0.319 346 T C 0.306 175.005 174.700 -0.002 0.000 1.029 346 T CA -0.047 62.044 62.100 -0.015 0.000 0.990 346 T CB 0.549 69.393 68.868 -0.040 0.000 1.098 346 T HN 0.066 nan 8.240 nan 0.000 0.520 347 D N 0.244 120.639 120.400 -0.008 0.000 2.643 347 D HA 0.435 5.075 4.640 -0.000 0.000 0.244 347 D C 0.718 177.014 176.300 -0.006 0.000 1.257 347 D CA 0.099 54.098 54.000 -0.000 0.000 0.831 347 D CB 0.148 40.948 40.800 0.001 0.000 1.043 347 D HN 0.964 nan 8.370 nan 0.000 0.488 348 G N 0.749 109.536 108.800 -0.021 0.000 2.368 348 G HA2 0.247 4.207 3.960 -0.000 0.000 0.302 348 G HA3 0.247 4.207 3.960 -0.000 0.000 0.302 348 G C -1.872 172.974 174.900 -0.089 0.000 1.329 348 G CA -0.870 44.212 45.100 -0.031 0.000 0.935 348 G HN 0.034 nan 8.290 nan 0.000 0.590 349 Q N -1.381 118.337 119.800 -0.138 0.000 2.511 349 Q HA 0.815 5.155 4.340 -0.000 0.000 0.289 349 Q C -0.894 174.973 176.000 -0.223 0.000 1.021 349 Q CA -0.706 54.929 55.803 -0.280 0.000 0.785 349 Q CB 2.077 30.431 28.738 -0.640 0.000 1.472 349 Q HN 0.729 nan 8.270 nan 0.000 0.411 350 I N 1.855 122.290 120.570 -0.225 0.000 2.466 350 I HA 0.403 4.573 4.170 -0.000 0.000 0.279 350 I C -1.327 174.753 176.117 -0.062 0.000 1.033 350 I CA -0.491 60.770 61.300 -0.065 0.000 1.123 350 I CB 0.676 38.669 38.000 -0.011 0.000 1.237 350 I HN 0.426 nan 8.210 nan 0.000 0.460 351 F N 6.526 126.494 119.950 0.029 0.000 2.405 351 F HA 0.499 5.026 4.527 -0.000 0.000 0.355 351 F C 0.028 175.851 175.800 0.038 0.000 1.121 351 F CA -0.861 57.157 58.000 0.029 0.000 1.112 351 F CB 0.524 39.543 39.000 0.030 0.000 1.126 351 F HN 0.102 nan 8.300 nan 0.000 0.481 352 L N 3.693 125.040 121.223 0.206 0.000 2.289 352 L HA 0.451 4.791 4.340 -0.000 0.000 0.285 352 L C 0.042 176.994 176.870 0.136 0.000 1.049 352 L CA -0.592 54.337 54.840 0.149 0.000 0.804 352 L CB 1.166 43.278 42.059 0.088 0.000 1.195 352 L HN 0.580 nan 8.230 nan 0.000 0.428 353 E N 1.370 121.652 120.200 0.136 0.000 2.166 353 E HA 0.200 4.550 4.350 -0.000 0.000 0.275 353 E C 0.261 176.942 176.600 0.135 0.000 0.941 353 E CA -0.409 56.056 56.400 0.109 0.000 0.784 353 E CB 2.129 31.887 29.700 0.097 0.000 1.115 353 E HN 0.577 nan 8.360 nan 0.000 0.399 354 T N 2.196 116.804 114.554 0.090 0.000 2.720 354 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 354 T C 1.394 176.211 174.700 0.196 0.000 1.037 354 T CA 1.086 63.263 62.100 0.128 0.000 1.144 354 T CB 0.058 68.932 68.868 0.010 0.000 0.864 354 T HN 0.398 nan 8.240 nan 0.000 0.444 355 E N 1.115 121.371 120.200 0.094 0.000 2.038 355 E HA -0.100 4.250 4.350 -0.000 0.000 0.195 355 E C 2.376 179.090 176.600 0.190 0.000 1.000 355 E CA 1.001 57.455 56.400 0.089 0.000 0.803 355 E CB -0.519 29.200 29.700 0.032 0.000 0.750 355 E HN 0.472 nan 8.360 nan 0.000 0.448 356 L N -0.060 121.274 121.223 0.186 0.000 2.013 356 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 356 L C 2.571 179.590 176.870 0.249 0.000 1.073 356 L CA 1.337 56.292 54.840 0.191 0.000 0.753 356 L CB -0.613 41.548 42.059 0.170 0.000 0.890 356 L HN 0.059 nan 8.230 nan 0.000 0.432 357 F N -0.261 119.780 119.950 0.153 0.000 2.065 357 F HA -0.322 4.205 4.527 -0.000 0.000 0.298 357 F C 2.460 178.337 175.800 0.127 0.000 1.112 357 F CA 1.752 59.840 58.000 0.145 0.000 1.212 357 F CB -0.446 38.668 39.000 0.190 0.000 0.975 357 F HN -0.070 nan 8.300 nan 0.000 0.476 358 Y N 0.218 120.622 120.300 0.173 0.000 2.133 358 Y HA -0.203 4.347 4.550 -0.000 0.000 0.287 358 Y C 2.460 178.367 175.900 0.011 0.000 1.134 358 Y CA 1.849 59.994 58.100 0.075 0.000 1.133 358 Y CB -1.062 37.456 38.460 0.096 0.000 0.987 358 Y HN -0.019 nan 8.280 nan 0.000 0.502 359 K N 0.209 120.735 120.400 0.211 0.000 2.589 359 K HA -0.111 4.209 4.320 -0.000 0.000 0.195 359 K C 1.054 177.678 176.600 0.039 0.000 1.042 359 K CA 0.900 57.254 56.287 0.111 0.000 0.940 359 K CB -0.610 31.958 32.500 0.113 0.000 0.776 359 K HN 0.552 nan 8.250 nan 0.000 0.487 360 G N 0.725 109.511 108.800 -0.023 0.000 2.137 360 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.237 360 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.237 360 G C -0.038 174.820 174.900 -0.070 0.000 1.002 360 G CA 0.135 45.179 45.100 -0.093 0.000 0.702 360 G HN 0.273 nan 8.290 nan 0.000 0.515 361 I N 1.265 121.822 120.570 -0.022 0.000 2.306 361 I HA 0.403 4.573 4.170 -0.000 0.000 0.288 361 I C 0.471 176.594 176.117 0.010 0.000 1.036 361 I CA -0.173 61.133 61.300 0.010 0.000 1.221 361 I CB 0.619 38.654 38.000 0.059 0.000 1.385 361 I HN 0.114 nan 8.210 nan 0.000 0.472 362 R N 7.176 127.660 120.500 -0.027 0.000 2.532 362 R HA 0.440 4.780 4.340 -0.000 0.000 0.297 362 R C -2.740 173.566 176.300 0.011 0.000 0.984 362 R CA -1.857 54.233 56.100 -0.018 0.000 0.884 362 R CB 2.208 32.427 30.300 -0.135 0.000 1.182 362 R HN 0.267 nan 8.270 nan 0.000 0.442 363 P HA -0.002 nan 4.420 nan 0.000 0.266 363 P C 0.134 177.514 177.300 0.133 0.000 1.215 363 P CA 0.017 63.177 63.100 0.100 0.000 0.763 363 P CB 0.798 32.545 31.700 0.079 0.000 0.806 364 A N 5.112 128.065 122.820 0.222 0.000 2.167 364 A HA -0.033 4.287 4.320 -0.000 0.000 0.220 364 A C 0.891 178.578 177.584 0.173 0.000 1.548 364 A CA 0.048 52.228 52.037 0.238 0.000 1.583 364 A CB -1.625 17.612 19.000 0.394 0.000 0.761 364 A HN 0.536 nan 8.150 nan 0.000 0.627 365 I N 0.662 121.315 120.570 0.137 0.000 2.634 365 I HA -0.000 4.170 4.170 -0.000 0.000 0.284 365 I C 0.730 176.923 176.117 0.126 0.000 1.124 365 I CA -0.193 61.186 61.300 0.130 0.000 1.417 365 I CB 0.621 38.685 38.000 0.107 0.000 1.396 365 I HN 0.361 nan 8.210 nan 0.000 0.571 366 N N 5.932 124.716 118.700 0.141 0.000 2.589 366 N HA 0.110 4.850 4.740 -0.000 0.000 0.232 366 N C 0.538 176.111 175.510 0.104 0.000 1.015 366 N CA -0.195 52.915 53.050 0.100 0.000 0.931 366 N CB 1.398 39.912 38.487 0.046 0.000 1.150 366 N HN 0.391 nan 8.380 nan 0.000 0.512 367 V N 2.900 122.866 119.914 0.088 0.000 2.720 367 V HA -0.110 4.010 4.120 -0.000 0.000 0.256 367 V C 2.141 178.277 176.094 0.071 0.000 1.082 367 V CA 2.130 64.481 62.300 0.083 0.000 1.101 367 V CB -0.570 31.298 31.823 0.075 0.000 0.693 367 V HN 0.701 nan 8.190 nan 0.000 0.479 368 G N -0.677 108.150 108.800 0.045 0.000 2.437 368 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.212 368 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.212 368 G C 1.476 176.394 174.900 0.029 0.000 1.174 368 G CA 0.243 45.359 45.100 0.027 0.000 0.811 368 G HN 0.373 nan 8.290 nan 0.000 0.537 369 L N 1.152 122.359 121.223 -0.027 0.000 1.970 369 L HA -0.034 4.306 4.340 -0.000 0.000 0.212 369 L C 1.631 178.676 176.870 0.292 0.000 1.071 369 L CA 0.657 55.429 54.840 -0.113 0.000 0.751 369 L CB -0.986 40.665 42.059 -0.680 0.000 0.889 369 L HN 0.101 nan 8.230 nan 0.000 0.432 370 S N -0.481 115.481 115.700 0.436 0.000 2.558 370 S HA 0.230 4.700 4.470 -0.000 0.000 0.287 370 S C -0.115 174.615 174.600 0.216 0.000 1.321 370 S CA -0.315 58.136 58.200 0.419 0.000 1.048 370 S CB 0.888 64.251 63.200 0.272 0.000 0.844 370 S HN 0.162 nan 8.310 nan 0.000 0.512 371 V N 0.289 120.280 119.914 0.129 0.000 3.188 371 V HA 0.822 4.942 4.120 -0.000 0.000 0.305 371 V C -0.414 175.701 176.094 0.035 0.000 1.232 371 V CA -0.969 61.378 62.300 0.079 0.000 1.043 371 V CB 2.106 33.977 31.823 0.080 0.000 1.068 371 V HN 0.728 nan 8.190 nan 0.000 0.439 372 S N 0.145 115.864 115.700 0.030 0.000 2.496 372 S HA 0.392 4.862 4.470 -0.000 0.000 0.221 372 S C 0.757 175.367 174.600 0.017 0.000 1.260 372 S CA -0.679 57.530 58.200 0.016 0.000 1.181 372 S CB 0.741 63.949 63.200 0.013 0.000 1.136 372 S HN 0.738 nan 8.310 nan 0.000 0.467 373 R N 1.762 122.271 120.500 0.015 0.000 2.127 373 R HA -0.074 4.266 4.340 -0.000 0.000 0.238 373 R C 1.571 177.879 176.300 0.014 0.000 1.134 373 R CA 1.994 58.105 56.100 0.018 0.000 0.975 373 R CB -0.363 29.948 30.300 0.018 0.000 0.865 373 R HN 0.615 nan 8.270 nan 0.000 0.447 374 V N -4.346 115.573 119.914 0.009 0.000 3.604 374 V HA 0.317 4.437 4.120 -0.000 0.000 0.277 374 V C 1.800 177.895 176.094 0.003 0.000 1.399 374 V CA 0.668 62.971 62.300 0.006 0.000 1.034 374 V CB 0.470 32.296 31.823 0.004 0.000 0.824 374 V HN 0.226 nan 8.190 nan 0.000 0.439 375 G N 1.184 109.985 108.800 0.002 0.000 2.598 375 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.215 375 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.215 375 G C 1.451 176.352 174.900 0.001 0.000 1.131 375 G CA 1.052 46.151 45.100 -0.002 0.000 0.785 375 G HN 0.545 nan 8.290 nan 0.000 0.539 376 S N 1.511 117.215 115.700 0.007 0.000 2.370 376 S HA -0.119 4.351 4.470 -0.000 0.000 0.226 376 S C 2.744 177.347 174.600 0.006 0.000 1.033 376 S CA 1.194 59.399 58.200 0.009 0.000 1.011 376 S CB -0.408 62.799 63.200 0.012 0.000 0.852 376 S HN 0.556 nan 8.310 nan 0.000 0.457 377 A N 1.837 124.659 122.820 0.004 0.000 1.902 377 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 377 A C 2.406 179.988 177.584 -0.003 0.000 1.181 377 A CA 1.637 53.676 52.037 0.002 0.000 0.623 377 A CB -1.165 17.836 19.000 0.002 0.000 0.818 377 A HN 0.572 nan 8.150 nan 0.000 0.443 378 A N -1.083 121.731 122.820 -0.010 0.000 2.019 378 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 378 A C 1.485 179.059 177.584 -0.017 0.000 1.164 378 A CA 0.983 53.007 52.037 -0.021 0.000 0.644 378 A CB -0.369 18.613 19.000 -0.030 0.000 0.805 378 A HN 0.658 nan 8.150 nan 0.000 0.449 379 Q N 0.710 120.506 119.800 -0.006 0.000 2.373 379 Q HA 0.231 4.571 4.340 -0.000 0.000 0.255 379 Q C -0.527 175.476 176.000 0.006 0.000 0.980 379 Q CA -0.114 55.690 55.803 0.001 0.000 0.882 379 Q CB 0.555 29.298 28.738 0.009 0.000 1.249 379 Q HN 0.452 nan 8.270 nan 0.000 0.438 380 T N 2.690 117.251 114.554 0.011 0.000 2.918 380 T HA 0.038 4.388 4.350 -0.000 0.000 0.302 380 T C 0.924 175.637 174.700 0.021 0.000 1.045 380 T CA -0.512 61.598 62.100 0.016 0.000 1.114 380 T CB 0.972 69.854 68.868 0.023 0.000 0.965 380 T HN 0.658 nan 8.240 nan 0.000 0.540 381 R N 2.494 123.007 120.500 0.022 0.000 2.083 381 R HA -0.091 4.249 4.340 -0.000 0.000 0.237 381 R C 2.444 178.764 176.300 0.034 0.000 1.137 381 R CA 2.116 58.231 56.100 0.025 0.000 0.951 381 R CB -1.236 29.078 30.300 0.024 0.000 0.851 381 R HN 0.765 nan 8.270 nan 0.000 0.434 382 A N 0.741 123.582 122.820 0.036 0.000 1.896 382 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 382 A C 2.300 179.917 177.584 0.055 0.000 1.206 382 A CA 2.154 54.219 52.037 0.047 0.000 0.647 382 A CB -0.651 18.374 19.000 0.041 0.000 0.828 382 A HN 0.437 nan 8.150 nan 0.000 0.455 383 M N -1.561 118.066 119.600 0.046 0.000 2.175 383 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 383 M C 2.042 178.367 176.300 0.041 0.000 1.063 383 M CA 1.708 57.036 55.300 0.047 0.000 1.119 383 M CB -0.839 31.784 32.600 0.038 0.000 1.377 383 M HN 0.312 nan 8.290 nan 0.000 0.415 384 K N 0.492 120.913 120.400 0.034 0.000 2.059 384 K HA -0.195 4.125 4.320 -0.000 0.000 0.212 384 K C 1.944 178.563 176.600 0.033 0.000 1.050 384 K CA 1.633 57.937 56.287 0.029 0.000 0.927 384 K CB -0.407 32.108 32.500 0.026 0.000 0.714 384 K HN 0.452 nan 8.250 nan 0.000 0.447 385 Q N -0.527 119.298 119.800 0.043 0.000 2.096 385 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 385 Q C 2.068 178.099 176.000 0.052 0.000 0.982 385 Q CA 2.017 57.851 55.803 0.052 0.000 0.850 385 Q CB -0.121 28.660 28.738 0.071 0.000 0.901 385 Q HN 0.404 nan 8.270 nan 0.000 0.422 386 V N -3.889 116.063 119.914 0.062 0.000 2.690 386 V HA 0.256 4.376 4.120 -0.000 0.000 0.240 386 V C 2.045 178.156 176.094 0.029 0.000 1.078 386 V CA 0.896 63.227 62.300 0.053 0.000 1.102 386 V CB -0.658 31.226 31.823 0.100 0.000 0.800 386 V HN 0.181 nan 8.190 nan 0.000 0.479 387 A N 1.475 124.316 122.820 0.035 0.000 2.019 387 A HA 0.093 4.413 4.320 -0.000 0.000 0.219 387 A C 2.297 179.891 177.584 0.018 0.000 1.164 387 A CA 1.784 53.836 52.037 0.026 0.000 0.644 387 A CB -1.425 17.593 19.000 0.030 0.000 0.805 387 A HN 0.771 nan 8.150 nan 0.000 0.449 388 G N -0.120 108.691 108.800 0.017 0.000 2.440 388 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 388 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 388 G C 1.582 176.485 174.900 0.005 0.000 1.154 388 G CA 1.861 46.968 45.100 0.013 0.000 0.767 388 G HN 0.753 nan 8.290 nan 0.000 0.552 389 T N -2.425 112.127 114.554 -0.004 0.000 3.107 389 T HA 0.309 4.659 4.350 -0.000 0.000 0.249 389 T C 2.004 176.693 174.700 -0.020 0.000 1.096 389 T CA 0.564 62.654 62.100 -0.016 0.000 1.012 389 T CB 0.235 69.085 68.868 -0.029 0.000 0.977 389 T HN 0.236 nan 8.240 nan 0.000 0.527 390 M N 0.305 119.899 119.600 -0.011 0.000 2.325 390 M HA 0.279 4.759 4.480 -0.000 0.000 0.265 390 M C 2.318 178.618 176.300 0.001 0.000 1.094 390 M CA 1.135 56.428 55.300 -0.012 0.000 1.161 390 M CB 0.043 32.640 32.600 -0.005 0.000 1.358 390 M HN 0.093 nan 8.290 nan 0.000 0.446 391 K N 0.413 120.820 120.400 0.011 0.000 2.155 391 K HA -0.052 4.268 4.320 -0.000 0.000 0.203 391 K C 1.756 178.368 176.600 0.020 0.000 1.052 391 K CA 0.981 57.281 56.287 0.022 0.000 0.948 391 K CB -0.139 32.376 32.500 0.026 0.000 0.728 391 K HN 0.375 nan 8.250 nan 0.000 0.448 392 L N 0.303 121.532 121.223 0.010 0.000 2.012 392 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 392 L C 2.174 179.048 176.870 0.008 0.000 1.073 392 L CA 1.634 56.478 54.840 0.007 0.000 0.748 392 L CB -0.677 41.381 42.059 -0.002 0.000 0.891 392 L HN 0.218 nan 8.230 nan 0.000 0.431 393 E N 0.466 120.665 120.200 -0.001 0.000 2.077 393 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 393 E C 2.337 178.957 176.600 0.034 0.000 0.989 393 E CA 0.933 57.331 56.400 -0.003 0.000 0.800 393 E CB -0.108 29.570 29.700 -0.037 0.000 0.746 393 E HN 0.445 nan 8.360 nan 0.000 0.452 394 L N 0.204 121.450 121.223 0.039 0.000 2.465 394 L HA -0.056 4.284 4.340 -0.000 0.000 0.224 394 L C 2.235 179.168 176.870 0.106 0.000 1.145 394 L CA 0.245 55.143 54.840 0.095 0.000 0.834 394 L CB -0.201 41.899 42.059 0.068 0.000 0.944 394 L HN 0.157 nan 8.230 nan 0.000 0.451 395 A N -0.310 122.546 122.820 0.060 0.000 1.903 395 A HA -0.144 4.176 4.320 -0.000 0.000 0.213 395 A C 2.102 179.704 177.584 0.030 0.000 1.185 395 A CA 0.700 52.759 52.037 0.037 0.000 0.628 395 A CB -0.187 18.825 19.000 0.020 0.000 0.830 395 A HN 0.420 nan 8.150 nan 0.000 0.446 396 Q N -2.175 117.650 119.800 0.042 0.000 2.436 396 Q HA -0.083 4.257 4.340 -0.000 0.000 0.209 396 Q C 1.502 177.542 176.000 0.067 0.000 0.965 396 Q CA 1.236 57.059 55.803 0.034 0.000 0.910 396 Q CB -0.160 28.595 28.738 0.028 0.000 0.980 396 Q HN 0.879 nan 8.270 nan 0.000 0.491 397 Y N 0.083 120.360 120.300 -0.037 0.000 2.522 397 Y HA 0.151 4.701 4.550 -0.000 0.000 0.277 397 Y C 2.026 177.898 175.900 -0.047 0.000 1.104 397 Y CA 0.218 58.293 58.100 -0.041 0.000 1.260 397 Y CB 0.273 38.711 38.460 -0.036 0.000 1.151 397 Y HN -0.205 nan 8.280 nan 0.000 0.539 398 R N 0.852 121.295 120.500 -0.094 0.000 2.103 398 R HA -0.192 4.148 4.340 -0.000 0.000 0.242 398 R C 1.994 178.138 176.300 -0.261 0.000 1.142 398 R CA 2.141 58.130 56.100 -0.184 0.000 0.960 398 R CB -0.130 30.137 30.300 -0.056 0.000 0.858 398 R HN 0.539 nan 8.270 nan 0.000 0.439 399 E N -0.201 119.884 120.200 -0.191 0.000 1.997 399 E HA -0.179 4.171 4.350 -0.000 0.000 0.201 399 E C 1.856 178.310 176.600 -0.243 0.000 1.011 399 E CA 1.739 58.028 56.400 -0.185 0.000 0.847 399 E CB -0.260 29.370 29.700 -0.117 0.000 0.787 399 E HN 0.132 nan 8.360 nan 0.000 0.472 400 V N 1.224 121.006 119.914 -0.219 0.000 3.140 400 V HA -0.127 3.993 4.120 -0.000 0.000 0.269 400 V C 1.259 177.177 176.094 -0.292 0.000 1.149 400 V CA 1.134 63.309 62.300 -0.207 0.000 1.162 400 V CB -1.066 30.682 31.823 -0.124 0.000 0.756 400 V HN 0.210 nan 8.190 nan 0.000 0.523 401 A N 0.643 123.185 122.820 -0.463 0.000 3.015 401 A HA 0.711 5.031 4.320 -0.000 0.000 0.293 401 A C 0.765 178.119 177.584 -0.382 0.000 1.572 401 A CA 0.244 51.972 52.037 -0.516 0.000 1.274 401 A CB -0.590 17.800 19.000 -1.017 0.000 1.156 401 A HN 0.482 nan 8.150 nan 0.000 0.562 402 A N 0.559 123.185 122.820 -0.324 0.000 2.310 402 A HA 0.593 4.913 4.320 -0.000 0.000 0.260 402 A C 0.624 178.050 177.584 -0.263 0.000 1.112 402 A CA -0.209 51.595 52.037 -0.388 0.000 0.804 402 A CB -0.118 18.720 19.000 -0.270 0.000 1.081 402 A HN 0.598 nan 8.150 nan 0.000 0.499 403 F N 0.349 120.239 119.950 -0.101 0.000 2.163 403 F HA 0.139 4.666 4.527 -0.000 0.000 0.297 403 F C 2.105 177.827 175.800 -0.130 0.000 1.094 403 F CA 0.451 58.393 58.000 -0.097 0.000 1.290 403 F CB -1.269 37.687 39.000 -0.074 0.000 1.017 403 F HN 0.481 nan 8.300 nan 0.000 0.483 404 A N 1.522 124.352 122.820 0.018 0.000 2.558 404 A HA -0.092 4.228 4.320 -0.000 0.000 0.262 404 A C 1.379 178.844 177.584 -0.198 0.000 1.049 404 A CA 0.088 52.081 52.037 -0.073 0.000 0.804 404 A CB -0.326 18.638 19.000 -0.060 0.000 0.957 404 A HN 0.571 nan 8.150 nan 0.000 0.520 405 Q N 1.413 120.964 119.800 -0.415 0.000 2.049 405 Q HA -0.046 4.294 4.340 -0.000 0.000 0.198 405 Q C -0.584 174.894 176.000 -0.870 0.000 0.971 405 Q CA 1.094 56.407 55.803 -0.817 0.000 0.833 405 Q CB 0.058 28.027 28.738 -1.282 0.000 0.896 405 Q HN 0.869 nan 8.270 nan 0.000 0.434 406 F N 0.499 120.463 119.950 0.024 0.000 2.300 406 F HA 0.497 5.024 4.527 -0.000 0.000 0.364 406 F C 0.375 176.181 175.800 0.010 0.000 1.090 406 F CA -0.924 57.087 58.000 0.017 0.000 1.200 406 F CB 0.946 39.956 39.000 0.016 0.000 1.493 406 F HN -0.190 nan 8.300 nan 0.000 0.518 407 G N 0.828 109.676 108.800 0.080 0.000 2.683 407 G HA2 0.516 4.476 3.960 -0.000 0.000 0.299 407 G HA3 0.516 4.476 3.960 -0.000 0.000 0.299 407 G C -0.916 174.013 174.900 0.047 0.000 1.432 407 G CA -0.646 44.481 45.100 0.045 0.000 0.978 407 G HN 0.354 nan 8.290 nan 0.000 0.513 408 S N 1.373 117.100 115.700 0.045 0.000 2.616 408 S HA 0.684 5.154 4.470 -0.000 0.000 0.277 408 S C -0.583 174.028 174.600 0.018 0.000 1.234 408 S CA -0.675 57.545 58.200 0.035 0.000 1.028 408 S CB 1.652 64.872 63.200 0.033 0.000 0.988 408 S HN 0.653 nan 8.310 nan 0.000 0.522 409 D N 0.066 120.474 120.400 0.014 0.000 2.626 409 D HA 0.565 5.205 4.640 -0.000 0.000 0.278 409 D C -0.809 175.494 176.300 0.004 0.000 1.211 409 D CA -0.420 53.583 54.000 0.005 0.000 0.903 409 D CB 1.492 42.292 40.800 -0.000 0.000 1.408 409 D HN 0.277 nan 8.370 nan 0.000 0.454 410 L N -0.430 120.792 121.223 -0.001 0.000 2.183 410 L HA 0.507 4.847 4.340 -0.000 0.000 0.253 410 L C -0.788 176.079 176.870 -0.004 0.000 1.048 410 L CA -0.999 53.840 54.840 -0.002 0.000 0.890 410 L CB 1.221 43.279 42.059 -0.002 0.000 1.476 410 L HN 0.426 nan 8.230 nan 0.000 0.455 411 D N -0.199 120.198 120.400 -0.005 0.000 6.041 411 D HA -0.128 4.512 4.640 -0.000 0.000 0.239 411 D C 0.505 176.801 176.300 -0.007 0.000 1.667 411 D CA 0.694 54.690 54.000 -0.007 0.000 1.478 411 D CB 0.253 41.048 40.800 -0.009 0.000 0.683 411 D HN 0.785 nan 8.370 nan 0.000 0.375 412 A N 4.052 126.868 122.820 -0.007 0.000 1.883 412 A HA 0.119 4.439 4.320 -0.000 0.000 0.217 412 A C 2.419 179.997 177.584 -0.010 0.000 1.186 412 A CA 3.254 55.286 52.037 -0.009 0.000 0.624 412 A CB -0.873 18.121 19.000 -0.010 0.000 0.822 412 A HN 1.196 nan 8.150 nan 0.000 0.444 413 A N -0.117 122.697 122.820 -0.011 0.000 1.837 413 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 413 A C 2.458 180.037 177.584 -0.007 0.000 1.210 413 A CA 3.370 55.400 52.037 -0.012 0.000 0.632 413 A CB -1.824 17.168 19.000 -0.012 0.000 0.843 413 A HN 0.871 nan 8.150 nan 0.000 0.448 414 T N -1.546 113.004 114.554 -0.007 0.000 2.760 414 T HA -0.301 4.049 4.350 -0.000 0.000 0.269 414 T C 1.856 176.558 174.700 0.004 0.000 1.047 414 T CA 1.917 64.014 62.100 -0.005 0.000 1.139 414 T CB -0.529 68.332 68.868 -0.012 0.000 0.855 414 T HN 0.624 nan 8.240 nan 0.000 0.471 415 Q N 0.755 120.556 119.800 0.002 0.000 1.993 415 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 415 Q C 2.741 178.747 176.000 0.010 0.000 0.984 415 Q CA 1.666 57.474 55.803 0.007 0.000 0.837 415 Q CB -0.288 28.451 28.738 0.002 0.000 0.902 415 Q HN 0.732 nan 8.270 nan 0.000 0.423 416 Q N 1.043 120.841 119.800 -0.002 0.000 2.077 416 Q HA -0.234 4.106 4.340 -0.000 0.000 0.206 416 Q C 2.039 178.036 176.000 -0.005 0.000 0.989 416 Q CA 1.594 57.389 55.803 -0.013 0.000 0.853 416 Q CB -0.352 28.372 28.738 -0.023 0.000 0.907 416 Q HN 0.444 nan 8.270 nan 0.000 0.418 417 L N 0.286 121.516 121.223 0.012 0.000 2.081 417 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 417 L C 2.610 179.544 176.870 0.107 0.000 1.080 417 L CA 0.690 55.553 54.840 0.038 0.000 0.754 417 L CB -0.592 41.491 42.059 0.040 0.000 0.893 417 L HN 0.253 nan 8.230 nan 0.000 0.433 418 L N -0.179 121.120 121.223 0.127 0.000 2.275 418 L HA -0.131 4.209 4.340 -0.000 0.000 0.215 418 L C 2.609 179.548 176.870 0.115 0.000 1.119 418 L CA 1.707 56.694 54.840 0.245 0.000 0.790 418 L CB -0.467 41.673 42.059 0.135 0.000 0.919 418 L HN 0.295 nan 8.230 nan 0.000 0.443 419 S N -2.089 113.616 115.700 0.008 0.000 2.458 419 S HA 0.017 4.487 4.470 -0.000 0.000 0.223 419 S C 2.030 176.548 174.600 -0.137 0.000 1.019 419 S CA -0.104 58.062 58.200 -0.058 0.000 0.937 419 S CB -0.202 62.972 63.200 -0.043 0.000 0.788 419 S HN 0.336 nan 8.310 nan 0.000 0.511 420 R N 1.604 122.016 120.500 -0.146 0.000 2.061 420 R HA 0.037 4.377 4.340 -0.000 0.000 0.230 420 R C 2.737 178.842 176.300 -0.326 0.000 1.140 420 R CA 1.399 57.384 56.100 -0.191 0.000 0.940 420 R CB -1.493 28.718 30.300 -0.149 0.000 0.839 420 R HN 0.534 nan 8.270 nan 0.000 0.429 421 G N 1.432 109.925 108.800 -0.511 0.000 2.597 421 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.222 421 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.222 421 G C 1.508 175.756 174.900 -1.086 0.000 1.135 421 G CA 1.841 46.244 45.100 -1.162 0.000 0.759 421 G HN 0.368 nan 8.290 nan 0.000 0.595 422 V N -1.604 117.875 119.914 -0.726 0.000 2.667 422 V HA 0.029 4.149 4.120 -0.000 0.000 0.252 422 V C 2.653 178.614 176.094 -0.221 0.000 1.065 422 V CA 1.737 63.831 62.300 -0.345 0.000 1.083 422 V CB -0.390 31.347 31.823 -0.144 0.000 0.692 422 V HN 0.225 nan 8.190 nan 0.000 0.468 423 R N 0.781 121.143 120.500 -0.230 0.000 2.052 423 R HA 0.206 4.546 4.340 -0.000 0.000 0.226 423 R C 2.449 178.653 176.300 -0.161 0.000 1.145 423 R CA 1.555 57.551 56.100 -0.173 0.000 0.952 423 R CB -1.238 28.954 30.300 -0.180 0.000 0.847 423 R HN 0.476 nan 8.270 nan 0.000 0.431 424 L N 1.051 122.161 121.223 -0.188 0.000 2.089 424 L HA -0.213 4.127 4.340 -0.000 0.000 0.213 424 L C 2.265 179.072 176.870 -0.105 0.000 1.079 424 L CA 1.875 56.631 54.840 -0.140 0.000 0.758 424 L CB -1.017 40.954 42.059 -0.147 0.000 0.891 424 L HN 0.252 nan 8.230 nan 0.000 0.433 425 T N -1.298 113.175 114.554 -0.136 0.000 2.915 425 T HA -0.112 4.238 4.350 -0.000 0.000 0.269 425 T C 1.700 176.376 174.700 -0.039 0.000 1.071 425 T CA 0.890 62.950 62.100 -0.067 0.000 1.132 425 T CB -0.085 68.748 68.868 -0.059 0.000 0.878 425 T HN 0.335 nan 8.240 nan 0.000 0.479 426 E N 1.152 121.318 120.200 -0.056 0.000 2.216 426 E HA 0.103 4.453 4.350 -0.000 0.000 0.192 426 E C 2.227 178.817 176.600 -0.017 0.000 0.988 426 E CA 0.384 56.766 56.400 -0.030 0.000 0.834 426 E CB -0.256 29.423 29.700 -0.035 0.000 0.772 426 E HN 0.476 nan 8.360 nan 0.000 0.479 427 L N 0.435 121.640 121.223 -0.029 0.000 2.201 427 L HA -0.102 4.238 4.340 -0.000 0.000 0.212 427 L C 2.230 179.104 176.870 0.007 0.000 1.105 427 L CA 0.772 55.605 54.840 -0.010 0.000 0.775 427 L CB -0.312 41.734 42.059 -0.022 0.000 0.913 427 L HN 0.104 nan 8.230 nan 0.000 0.440 428 L N -0.897 120.328 121.223 0.003 0.000 2.509 428 L HA 0.037 4.377 4.340 -0.000 0.000 0.222 428 L C 0.805 177.685 176.870 0.018 0.000 1.123 428 L CA 0.079 54.928 54.840 0.015 0.000 0.856 428 L CB -0.296 41.775 42.059 0.020 0.000 0.985 428 L HN 0.128 nan 8.230 nan 0.000 0.456 429 K N 1.860 122.267 120.400 0.011 0.000 2.326 429 K HA 0.271 4.591 4.320 -0.000 0.000 0.275 429 K C -0.261 176.343 176.600 0.006 0.000 1.018 429 K CA 0.154 56.444 56.287 0.006 0.000 0.962 429 K CB 0.917 33.416 32.500 -0.002 0.000 0.953 429 K HN 0.093 nan 8.250 nan 0.000 0.475 430 Q N 0.217 120.016 119.800 -0.002 0.000 2.353 430 Q HA 0.299 4.639 4.340 -0.000 0.000 0.275 430 Q C -0.595 175.390 176.000 -0.025 0.000 1.029 430 Q CA -0.601 55.199 55.803 -0.005 0.000 0.848 430 Q CB 2.479 31.217 28.738 -0.001 0.000 1.390 430 Q HN 0.862 nan 8.270 nan 0.000 0.401 431 G N 0.872 109.656 108.800 -0.026 0.000 2.557 431 G HA2 0.360 4.320 3.960 -0.000 0.000 0.292 431 G HA3 0.360 4.320 3.960 -0.000 0.000 0.292 431 G C -0.455 174.385 174.900 -0.100 0.000 1.237 431 G CA -0.236 44.835 45.100 -0.048 0.000 0.978 431 G HN 0.473 nan 8.290 nan 0.000 0.498 432 Q N -1.431 118.259 119.800 -0.183 0.000 2.317 432 Q HA 0.298 4.638 4.340 -0.000 0.000 0.229 432 Q C -0.729 175.071 176.000 -0.333 0.000 0.984 432 Q CA -0.508 55.020 55.803 -0.457 0.000 0.911 432 Q CB 0.766 28.936 28.738 -0.946 0.000 1.217 432 Q HN 0.516 nan 8.270 nan 0.000 0.501 433 Y N -1.289 119.018 120.300 0.011 0.000 3.825 433 Y HA -0.245 4.305 4.550 -0.000 0.000 0.221 433 Y C -0.033 175.869 175.900 0.005 0.000 1.195 433 Y CA 0.613 58.716 58.100 0.005 0.000 1.699 433 Y CB -2.316 36.142 38.460 -0.003 0.000 1.531 433 Y HN 0.395 nan 8.280 nan 0.000 0.640 434 S N -0.457 115.279 115.700 0.060 0.000 2.526 434 S HA 0.325 4.795 4.470 -0.000 0.000 0.220 434 S C -2.385 172.230 174.600 0.025 0.000 1.159 434 S CA -0.922 57.307 58.200 0.049 0.000 1.196 434 S CB 0.822 64.046 63.200 0.039 0.000 1.225 434 S HN 0.012 nan 8.310 nan 0.000 0.432 435 P HA 0.154 nan 4.420 nan 0.000 0.265 435 P C -0.339 176.969 177.300 0.014 0.000 1.193 435 P CA 0.228 63.344 63.100 0.027 0.000 0.765 435 P CB 0.370 32.096 31.700 0.045 0.000 0.823 436 M N 1.583 121.190 119.600 0.012 0.000 2.478 436 M HA 0.542 5.022 4.480 -0.000 0.000 0.327 436 M C 0.370 176.665 176.300 -0.008 0.000 1.187 436 M CA -0.964 54.335 55.300 -0.002 0.000 1.022 436 M CB 1.699 34.303 32.600 0.006 0.000 1.629 436 M HN 0.274 nan 8.290 nan 0.000 0.461 437 A N 1.456 124.255 122.820 -0.035 0.000 2.409 437 A HA 0.251 4.571 4.320 -0.000 0.000 0.262 437 A C 0.951 178.527 177.584 -0.014 0.000 1.113 437 A CA -0.467 51.540 52.037 -0.050 0.000 0.790 437 A CB 0.041 18.988 19.000 -0.088 0.000 1.046 437 A HN 0.915 nan 8.150 nan 0.000 0.496 438 I N 1.597 122.175 120.570 0.013 0.000 2.182 438 I HA -0.319 3.851 4.170 -0.000 0.000 0.248 438 I C 2.618 178.746 176.117 0.018 0.000 1.073 438 I CA 2.548 63.866 61.300 0.031 0.000 1.335 438 I CB -0.202 37.829 38.000 0.052 0.000 1.031 438 I HN 0.882 nan 8.210 nan 0.000 0.420 439 E N 0.372 120.571 120.200 -0.003 0.000 2.153 439 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 439 E C 1.824 178.415 176.600 -0.014 0.000 0.988 439 E CA 1.744 58.138 56.400 -0.011 0.000 0.811 439 E CB -0.716 28.967 29.700 -0.028 0.000 0.746 439 E HN 0.671 nan 8.360 nan 0.000 0.466 440 E N 0.870 121.056 120.200 -0.024 0.000 2.072 440 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 440 E C 2.382 178.995 176.600 0.021 0.000 0.985 440 E CA 1.221 57.606 56.400 -0.025 0.000 0.801 440 E CB -0.080 29.595 29.700 -0.042 0.000 0.750 440 E HN 0.407 nan 8.360 nan 0.000 0.452 441 Q N 0.429 120.247 119.800 0.030 0.000 2.061 441 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 441 Q C 2.527 178.573 176.000 0.077 0.000 0.984 441 Q CA 1.997 57.831 55.803 0.052 0.000 0.846 441 Q CB -0.303 28.462 28.738 0.044 0.000 0.902 441 Q HN 0.276 nan 8.270 nan 0.000 0.421 442 V N -0.103 119.854 119.914 0.072 0.000 2.490 442 V HA -0.238 3.882 4.120 -0.000 0.000 0.250 442 V C 2.261 178.445 176.094 0.150 0.000 1.061 442 V CA 1.517 63.878 62.300 0.102 0.000 1.064 442 V CB -1.524 30.350 31.823 0.085 0.000 0.670 442 V HN 0.316 nan 8.190 nan 0.000 0.461 443 A N 1.751 124.641 122.820 0.116 0.000 1.834 443 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 443 A C 2.524 180.294 177.584 0.311 0.000 1.203 443 A CA 3.001 55.132 52.037 0.157 0.000 0.621 443 A CB -1.169 17.867 19.000 0.061 0.000 0.841 443 A HN 0.977 nan 8.150 nan 0.000 0.446 444 V N -0.590 119.497 119.914 0.289 0.000 2.332 444 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 444 V C 2.137 178.338 176.094 0.179 0.000 1.055 444 V CA 2.196 64.674 62.300 0.297 0.000 1.038 444 V CB -0.884 31.078 31.823 0.231 0.000 0.651 444 V HN 0.462 nan 8.190 nan 0.000 0.450 445 I N -0.282 120.377 120.570 0.148 0.000 2.264 445 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 445 I C 2.528 178.721 176.117 0.126 0.000 1.111 445 I CA 2.437 63.798 61.300 0.101 0.000 1.382 445 I CB -1.607 36.443 38.000 0.083 0.000 1.060 445 I HN 0.554 nan 8.210 nan 0.000 0.418 446 Y N 2.354 122.697 120.300 0.072 0.000 2.053 446 Y HA -0.321 4.229 4.550 -0.000 0.000 0.277 446 Y C 2.719 178.685 175.900 0.110 0.000 1.159 446 Y CA 2.251 60.406 58.100 0.092 0.000 1.125 446 Y CB -0.496 38.029 38.460 0.108 0.000 0.969 446 Y HN 0.131 nan 8.280 nan 0.000 0.492 447 A N 0.098 123.100 122.820 0.303 0.000 1.927 447 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 447 A C 2.450 180.041 177.584 0.012 0.000 1.185 447 A CA 2.337 54.458 52.037 0.141 0.000 0.639 447 A CB -1.785 17.119 19.000 -0.160 0.000 0.820 447 A HN 0.669 nan 8.150 nan 0.000 0.451 448 G N -1.226 107.537 108.800 -0.061 0.000 2.395 448 G HA2 0.034 3.994 3.960 -0.000 0.000 0.214 448 G HA3 0.034 3.994 3.960 -0.000 0.000 0.214 448 G C 1.385 176.208 174.900 -0.128 0.000 1.177 448 G CA 1.006 46.031 45.100 -0.124 0.000 0.794 448 G HN 0.385 nan 8.290 nan 0.000 0.532 449 V N 0.840 120.690 119.914 -0.108 0.000 2.913 449 V HA 0.004 4.124 4.120 -0.000 0.000 0.260 449 V C 2.596 178.573 176.094 -0.196 0.000 1.098 449 V CA 1.061 63.282 62.300 -0.131 0.000 1.121 449 V CB -0.388 31.378 31.823 -0.096 0.000 0.714 449 V HN 0.149 nan 8.190 nan 0.000 0.487 450 R N -0.180 120.171 120.500 -0.248 0.000 2.290 450 R HA 0.283 4.623 4.340 -0.000 0.000 0.197 450 R C 1.770 177.781 176.300 -0.482 0.000 0.913 450 R CA 0.788 56.678 56.100 -0.350 0.000 1.040 450 R CB 0.338 30.385 30.300 -0.422 0.000 0.992 450 R HN 0.551 nan 8.270 nan 0.000 0.500 451 G N -0.148 108.411 108.800 -0.402 0.000 2.231 451 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.206 451 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.206 451 G C 0.489 175.139 174.900 -0.417 0.000 0.996 451 G CA -0.058 44.795 45.100 -0.411 0.000 0.645 451 G HN 0.286 nan 8.290 nan 0.000 0.498 452 Y N 0.752 120.953 120.300 -0.165 0.000 2.738 452 Y HA 0.184 4.734 4.550 -0.000 0.000 0.293 452 Y C 2.356 178.073 175.900 -0.304 0.000 1.156 452 Y CA 1.496 59.491 58.100 -0.175 0.000 1.410 452 Y CB -0.183 38.207 38.460 -0.117 0.000 0.966 452 Y HN 0.401 nan 8.280 nan 0.000 0.568 453 L N -2.003 119.074 121.223 -0.243 0.000 3.086 453 L HA 0.179 4.519 4.340 -0.000 0.000 0.274 453 L C 0.919 177.660 176.870 -0.215 0.000 1.184 453 L CA -0.071 54.573 54.840 -0.327 0.000 1.002 453 L CB 0.244 42.038 42.059 -0.441 0.000 1.383 453 L HN -0.085 nan 8.230 nan 0.000 0.582 454 D N 1.364 121.654 120.400 -0.182 0.000 2.104 454 D HA -0.207 4.433 4.640 -0.000 0.000 0.194 454 D C 1.920 178.160 176.300 -0.100 0.000 0.994 454 D CA 1.356 55.272 54.000 -0.140 0.000 0.830 454 D CB 0.137 40.852 40.800 -0.142 0.000 0.959 454 D HN 0.050 nan 8.370 nan 0.000 0.452 455 K N -0.654 119.695 120.400 -0.085 0.000 2.574 455 K HA -0.003 4.317 4.320 -0.000 0.000 0.193 455 K C -0.190 176.393 176.600 -0.028 0.000 1.035 455 K CA -0.003 56.258 56.287 -0.044 0.000 0.982 455 K CB 0.146 32.632 32.500 -0.024 0.000 0.795 455 K HN -0.005 nan 8.250 nan 0.000 0.491 456 L N 0.711 121.901 121.223 -0.055 0.000 2.322 456 L HA 0.324 4.664 4.340 -0.000 0.000 0.269 456 L C -0.871 175.979 176.870 -0.033 0.000 1.012 456 L CA -0.567 54.252 54.840 -0.036 0.000 0.815 456 L CB 1.856 43.863 42.059 -0.087 0.000 1.295 456 L HN -0.043 nan 8.230 nan 0.000 0.438 457 E N 4.036 124.238 120.200 0.003 0.000 2.130 457 E HA 0.219 4.569 4.350 -0.000 0.000 0.284 457 E C -1.677 174.927 176.600 0.007 0.000 1.018 457 E CA -1.568 54.837 56.400 0.008 0.000 0.817 457 E CB 1.130 30.848 29.700 0.030 0.000 1.078 457 E HN 0.409 nan 8.360 nan 0.000 0.396 458 P HA -0.291 nan 4.420 nan 0.000 0.221 458 P C 1.290 178.597 177.300 0.012 0.000 1.153 458 P CA 1.340 64.431 63.100 -0.014 0.000 0.858 458 P CB 0.233 31.924 31.700 -0.015 0.000 0.783 459 S N -1.975 113.743 115.700 0.031 0.000 2.489 459 S HA -0.035 4.435 4.470 -0.000 0.000 0.228 459 S C 1.576 176.221 174.600 0.075 0.000 0.995 459 S CA 0.774 59.001 58.200 0.046 0.000 0.934 459 S CB -0.468 62.759 63.200 0.046 0.000 0.771 459 S HN 0.001 nan 8.310 nan 0.000 0.522 460 K N 1.223 121.679 120.400 0.093 0.000 2.379 460 K HA 0.210 4.530 4.320 -0.000 0.000 0.194 460 K C 1.713 178.411 176.600 0.165 0.000 1.031 460 K CA 0.044 56.434 56.287 0.170 0.000 1.037 460 K CB -0.265 32.378 32.500 0.238 0.000 0.824 460 K HN 0.379 nan 8.250 nan 0.000 0.516 461 I N 1.416 122.026 120.570 0.067 0.000 2.113 461 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 461 I C 1.909 178.083 176.117 0.094 0.000 1.064 461 I CA 1.614 62.928 61.300 0.024 0.000 1.320 461 I CB -1.821 36.154 38.000 -0.041 0.000 1.028 461 I HN 0.104 nan 8.210 nan 0.000 0.406 462 T N 1.038 115.644 114.554 0.086 0.000 2.607 462 T HA -0.272 4.078 4.350 -0.000 0.000 0.267 462 T C 1.978 176.761 174.700 0.138 0.000 1.049 462 T CA 1.999 64.154 62.100 0.092 0.000 1.162 462 T CB -0.325 68.585 68.868 0.070 0.000 0.863 462 T HN 0.330 nan 8.240 nan 0.000 0.424 463 K N -0.065 120.445 120.400 0.183 0.000 2.152 463 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 463 K C 2.120 178.905 176.600 0.308 0.000 1.048 463 K CA 1.212 57.657 56.287 0.262 0.000 0.933 463 K CB -0.306 32.385 32.500 0.318 0.000 0.721 463 K HN 0.357 nan 8.250 nan 0.000 0.447 464 F N 2.057 122.015 119.950 0.013 0.000 2.084 464 F HA -0.169 4.358 4.527 -0.000 0.000 0.296 464 F C 2.272 177.995 175.800 -0.129 0.000 1.111 464 F CA 1.923 59.734 58.000 -0.315 0.000 1.224 464 F CB -0.390 38.349 39.000 -0.436 0.000 0.991 464 F HN 0.142 nan 8.300 nan 0.000 0.471 465 E N 0.362 120.690 120.200 0.214 0.000 2.048 465 E HA -0.346 4.004 4.350 -0.000 0.000 0.202 465 E C 1.845 178.480 176.600 0.058 0.000 1.021 465 E CA 2.291 58.792 56.400 0.168 0.000 0.825 465 E CB -0.395 29.393 29.700 0.147 0.000 0.756 465 E HN 0.625 nan 8.360 nan 0.000 0.454 466 N N 0.414 119.149 118.700 0.059 0.000 2.069 466 N HA -0.198 4.542 4.740 -0.000 0.000 0.191 466 N C 1.836 177.348 175.510 0.004 0.000 1.031 466 N CA 1.601 54.672 53.050 0.034 0.000 0.852 466 N CB -0.358 38.166 38.487 0.061 0.000 1.018 466 N HN 0.244 nan 8.380 nan 0.000 0.423 467 A N 0.653 123.505 122.820 0.052 0.000 1.877 467 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 467 A C 2.046 179.545 177.584 -0.142 0.000 1.186 467 A CA 1.225 53.339 52.037 0.128 0.000 0.620 467 A CB -1.014 18.257 19.000 0.452 0.000 0.822 467 A HN 0.454 nan 8.150 nan 0.000 0.443 468 F N -0.322 119.104 119.950 -0.874 0.000 2.259 468 F HA -0.040 4.487 4.527 -0.000 0.000 0.298 468 F C 1.685 177.055 175.800 -0.718 0.000 1.088 468 F CA 1.332 58.345 58.000 -1.644 0.000 1.358 468 F CB -0.065 37.638 39.000 -2.163 0.000 1.040 468 F HN 0.183 nan 8.300 nan 0.000 0.505 469 L N 0.630 121.579 121.223 -0.456 0.000 2.044 469 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 469 L C 2.870 179.546 176.870 -0.324 0.000 1.075 469 L CA 2.128 56.739 54.840 -0.382 0.000 0.747 469 L CB -1.338 40.639 42.059 -0.138 0.000 0.903 469 L HN 0.372 nan 8.230 nan 0.000 0.435 470 S N -1.544 114.042 115.700 -0.191 0.000 2.370 470 S HA -0.323 4.147 4.470 -0.000 0.000 0.226 470 S C 2.217 176.720 174.600 -0.162 0.000 1.033 470 S CA 1.476 59.598 58.200 -0.130 0.000 1.011 470 S CB -1.056 62.120 63.200 -0.041 0.000 0.852 470 S HN 0.693 nan 8.310 nan 0.000 0.457 471 H N 1.499 120.394 119.070 -0.292 0.000 2.265 471 H HA -0.106 4.450 4.556 -0.000 0.000 0.295 471 H C 2.345 177.357 175.328 -0.527 0.000 1.084 471 H CA 2.563 58.436 56.048 -0.291 0.000 1.261 471 H CB -0.400 29.235 29.762 -0.211 0.000 1.360 471 H HN 0.498 nan 8.280 nan 0.000 0.487 472 V N -0.717 118.763 119.914 -0.725 0.000 3.041 472 V HA -0.048 4.072 4.120 -0.000 0.000 0.260 472 V C 2.349 178.064 176.094 -0.632 0.000 1.105 472 V CA 1.151 62.846 62.300 -1.009 0.000 1.125 472 V CB -0.666 30.682 31.823 -0.793 0.000 0.730 472 V HN 0.300 nan 8.190 nan 0.000 0.479 473 I N 1.260 121.571 120.570 -0.433 0.000 2.333 473 I HA -0.100 4.070 4.170 -0.000 0.000 0.246 473 I C 2.847 178.819 176.117 -0.242 0.000 1.106 473 I CA 1.576 62.709 61.300 -0.278 0.000 1.411 473 I CB -0.339 37.540 38.000 -0.202 0.000 1.082 473 I HN 0.472 nan 8.210 nan 0.000 0.420 474 S N 0.439 115.985 115.700 -0.255 0.000 2.325 474 S HA -0.188 4.282 4.470 -0.000 0.000 0.213 474 S C 2.109 176.582 174.600 -0.212 0.000 1.031 474 S CA 1.080 59.164 58.200 -0.193 0.000 0.984 474 S CB -0.207 62.899 63.200 -0.156 0.000 0.939 474 S HN 0.286 nan 8.310 nan 0.000 0.438 475 Q N 0.914 120.517 119.800 -0.328 0.000 2.016 475 Q HA -0.014 4.326 4.340 -0.000 0.000 0.200 475 Q C 0.612 176.567 176.000 -0.075 0.000 0.978 475 Q CA 1.274 56.933 55.803 -0.239 0.000 0.833 475 Q CB -0.614 27.964 28.738 -0.267 0.000 0.895 475 Q HN 0.840 nan 8.270 nan 0.000 0.427 476 H N 0.405 119.341 119.070 -0.224 0.000 2.421 476 H HA 0.299 4.855 4.556 -0.000 0.000 0.241 476 H C 0.815 176.056 175.328 -0.145 0.000 1.428 476 H CA -0.269 55.677 56.048 -0.170 0.000 1.136 476 H CB 0.067 29.728 29.762 -0.168 0.000 1.612 476 H HN 0.173 nan 8.280 nan 0.000 0.537 477 Q N 0.672 120.434 119.800 -0.062 0.000 2.368 477 Q HA -0.058 4.282 4.340 -0.000 0.000 0.210 477 Q C 1.998 177.972 176.000 -0.043 0.000 0.982 477 Q CA 0.972 56.732 55.803 -0.071 0.000 0.884 477 Q CB 0.120 28.814 28.738 -0.074 0.000 0.933 477 Q HN 0.629 nan 8.270 nan 0.000 0.460 478 A N 1.036 123.844 122.820 -0.020 0.000 1.902 478 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 478 A C 1.977 179.546 177.584 -0.025 0.000 1.181 478 A CA 1.004 53.028 52.037 -0.022 0.000 0.623 478 A CB -0.450 18.539 19.000 -0.019 0.000 0.818 478 A HN 0.365 nan 8.150 nan 0.000 0.443 479 L N -0.389 120.825 121.223 -0.016 0.000 2.127 479 L HA 0.031 4.371 4.340 -0.000 0.000 0.203 479 L C 2.272 179.120 176.870 -0.038 0.000 1.080 479 L CA 1.425 56.246 54.840 -0.031 0.000 0.768 479 L CB -0.934 41.105 42.059 -0.033 0.000 0.924 479 L HN 0.422 nan 8.230 nan 0.000 0.444 480 L N 0.472 121.669 121.223 -0.043 0.000 1.971 480 L HA -0.189 4.151 4.340 -0.000 0.000 0.215 480 L C 2.738 179.581 176.870 -0.047 0.000 1.072 480 L CA 1.691 56.497 54.840 -0.056 0.000 0.758 480 L CB -1.632 40.379 42.059 -0.080 0.000 0.889 480 L HN 0.376 nan 8.230 nan 0.000 0.433 481 G N 0.468 109.240 108.800 -0.046 0.000 2.505 481 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.220 481 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.220 481 G C 1.578 176.460 174.900 -0.030 0.000 1.145 481 G CA 1.356 46.432 45.100 -0.040 0.000 0.761 481 G HN 0.463 nan 8.290 nan 0.000 0.571 482 K N 0.306 120.689 120.400 -0.028 0.000 1.985 482 K HA 0.049 4.369 4.320 -0.000 0.000 0.210 482 K C 2.370 178.959 176.600 -0.017 0.000 1.047 482 K CA 1.200 57.474 56.287 -0.022 0.000 0.932 482 K CB -0.486 32.001 32.500 -0.022 0.000 0.716 482 K HN 0.299 nan 8.250 nan 0.000 0.439 483 I N 1.596 122.153 120.570 -0.021 0.000 2.091 483 I HA -0.380 3.790 4.170 -0.000 0.000 0.240 483 I C 2.988 179.101 176.117 -0.007 0.000 1.046 483 I CA 1.593 62.885 61.300 -0.013 0.000 1.306 483 I CB -0.391 37.597 38.000 -0.020 0.000 1.018 483 I HN 0.298 nan 8.210 nan 0.000 0.404 484 R N 0.651 121.143 120.500 -0.015 0.000 2.080 484 R HA -0.182 4.158 4.340 -0.000 0.000 0.236 484 R C 2.137 178.434 176.300 -0.004 0.000 1.137 484 R CA 2.606 58.700 56.100 -0.011 0.000 0.943 484 R CB -0.999 29.284 30.300 -0.028 0.000 0.846 484 R HN 0.275 nan 8.270 nan 0.000 0.431 485 T N 1.387 115.935 114.554 -0.010 0.000 2.668 485 T HA -0.096 4.254 4.350 -0.000 0.000 0.262 485 T C 1.229 175.930 174.700 0.000 0.000 1.045 485 T CA 1.721 63.817 62.100 -0.006 0.000 1.152 485 T CB -0.420 68.441 68.868 -0.011 0.000 0.864 485 T HN 0.328 nan 8.240 nan 0.000 0.419 486 D N 0.311 120.711 120.400 -0.001 0.000 2.106 486 D HA -0.025 4.615 4.640 -0.000 0.000 0.191 486 D C 1.733 178.038 176.300 0.008 0.000 0.997 486 D CA 1.872 55.874 54.000 0.003 0.000 0.834 486 D CB -0.554 40.248 40.800 0.003 0.000 0.956 486 D HN 0.568 nan 8.370 nan 0.000 0.448 487 G N -0.331 108.475 108.800 0.010 0.000 2.176 487 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.232 487 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.232 487 G C 0.388 175.300 174.900 0.019 0.000 0.986 487 G CA 0.504 45.613 45.100 0.015 0.000 0.643 487 G HN 0.561 nan 8.290 nan 0.000 0.522 488 K N -0.622 119.789 120.400 0.018 0.000 2.469 488 K HA 0.780 5.100 4.320 -0.000 0.000 0.268 488 K C -0.971 175.645 176.600 0.026 0.000 1.027 488 K CA -1.242 55.060 56.287 0.024 0.000 0.893 488 K CB 1.243 33.756 32.500 0.022 0.000 1.460 488 K HN 0.070 nan 8.250 nan 0.000 0.449 489 I N 3.068 123.660 120.570 0.037 0.000 2.412 489 I HA 0.154 4.324 4.170 -0.000 0.000 0.279 489 I C -0.229 175.911 176.117 0.038 0.000 1.063 489 I CA -0.618 60.706 61.300 0.040 0.000 1.193 489 I CB 1.345 39.388 38.000 0.071 0.000 1.370 489 I HN 0.525 nan 8.210 nan 0.000 0.479 490 S N 3.656 119.370 115.700 0.022 0.000 2.584 490 S HA 0.137 4.607 4.470 -0.000 0.000 0.270 490 S C 1.147 175.762 174.600 0.025 0.000 1.346 490 S CA -0.701 57.511 58.200 0.020 0.000 1.018 490 S CB 1.206 64.413 63.200 0.011 0.000 0.899 490 S HN 0.569 nan 8.310 nan 0.000 0.542 491 E N 0.706 120.922 120.200 0.026 0.000 2.114 491 E HA -0.237 4.113 4.350 -0.000 0.000 0.199 491 E C 1.842 178.456 176.600 0.024 0.000 1.008 491 E CA 1.267 57.686 56.400 0.031 0.000 0.810 491 E CB -0.079 29.638 29.700 0.027 0.000 0.739 491 E HN 0.697 nan 8.360 nan 0.000 0.456 492 E N 0.659 120.866 120.200 0.010 0.000 2.028 492 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 492 E C 2.241 178.834 176.600 -0.012 0.000 0.984 492 E CA 0.730 57.130 56.400 -0.001 0.000 0.800 492 E CB -0.052 29.644 29.700 -0.007 0.000 0.758 492 E HN 0.008 nan 8.360 nan 0.000 0.448 493 S N 1.038 116.729 115.700 -0.015 0.000 2.365 493 S HA -0.239 4.231 4.470 -0.000 0.000 0.225 493 S C 1.698 176.266 174.600 -0.052 0.000 1.039 493 S CA 1.822 60.001 58.200 -0.035 0.000 1.033 493 S CB -0.464 62.721 63.200 -0.026 0.000 0.887 493 S HN 0.421 nan 8.310 nan 0.000 0.447 494 D N 0.990 121.385 120.400 -0.008 0.000 2.117 494 D HA -0.033 4.607 4.640 -0.000 0.000 0.197 494 D C 1.940 178.260 176.300 0.033 0.000 0.987 494 D CA 1.261 55.277 54.000 0.027 0.000 0.829 494 D CB -0.311 40.563 40.800 0.123 0.000 0.961 494 D HN 0.322 nan 8.370 nan 0.000 0.460 495 A N 0.403 123.243 122.820 0.034 0.000 1.902 495 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 495 A C 2.181 179.766 177.584 0.001 0.000 1.181 495 A CA 1.666 53.726 52.037 0.038 0.000 0.623 495 A CB -0.687 18.330 19.000 0.029 0.000 0.818 495 A HN 0.236 nan 8.150 nan 0.000 0.443 496 K N -0.930 119.449 120.400 -0.035 0.000 2.026 496 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 496 K C 1.944 178.482 176.600 -0.103 0.000 1.048 496 K CA 1.518 57.764 56.287 -0.069 0.000 0.929 496 K CB -0.300 32.153 32.500 -0.079 0.000 0.713 496 K HN 0.327 nan 8.250 nan 0.000 0.439 497 L N 2.097 123.228 121.223 -0.153 0.000 1.989 497 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 497 L C 2.345 179.076 176.870 -0.232 0.000 1.071 497 L CA 1.876 56.556 54.840 -0.266 0.000 0.749 497 L CB -0.588 41.156 42.059 -0.525 0.000 0.890 497 L HN 0.132 nan 8.230 nan 0.000 0.431 498 K N -0.515 119.809 120.400 -0.126 0.000 2.059 498 K HA -0.310 4.010 4.320 -0.000 0.000 0.212 498 K C 2.154 178.750 176.600 -0.008 0.000 1.050 498 K CA 2.288 58.605 56.287 0.050 0.000 0.927 498 K CB -0.291 32.347 32.500 0.231 0.000 0.714 498 K HN 0.558 nan 8.250 nan 0.000 0.447 499 E N 0.339 120.546 120.200 0.012 0.000 2.106 499 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 499 E C 2.116 178.738 176.600 0.036 0.000 0.984 499 E CA 0.891 57.309 56.400 0.030 0.000 0.806 499 E CB -0.054 29.657 29.700 0.018 0.000 0.750 499 E HN 0.388 nan 8.360 nan 0.000 0.458 500 I N 0.994 121.571 120.570 0.012 0.000 2.208 500 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 500 I C 2.542 178.795 176.117 0.226 0.000 1.097 500 I CA 1.257 62.620 61.300 0.105 0.000 1.363 500 I CB -0.379 37.660 38.000 0.065 0.000 1.051 500 I HN 0.134 nan 8.210 nan 0.000 0.413 501 V N -2.564 117.407 119.914 0.096 0.000 2.427 501 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 501 V C 2.321 178.474 176.094 0.098 0.000 1.051 501 V CA 2.095 64.446 62.300 0.085 0.000 1.048 501 V CB -1.558 30.017 31.823 -0.414 0.000 0.666 501 V HN 0.341 nan 8.190 nan 0.000 0.456 502 T N 1.644 116.207 114.554 0.016 0.000 2.570 502 T HA -0.269 4.081 4.350 -0.000 0.000 0.266 502 T C 1.762 176.565 174.700 0.171 0.000 1.071 502 T CA 2.870 65.048 62.100 0.131 0.000 1.172 502 T CB -0.682 68.260 68.868 0.123 0.000 0.864 502 T HN 0.743 nan 8.240 nan 0.000 0.421 503 N N 0.188 118.987 118.700 0.165 0.000 2.058 503 N HA -0.064 4.676 4.740 -0.000 0.000 0.191 503 N C 1.687 177.300 175.510 0.171 0.000 1.037 503 N CA 1.232 54.376 53.050 0.157 0.000 0.848 503 N CB -0.398 38.176 38.487 0.145 0.000 1.021 503 N HN 0.267 nan 8.380 nan 0.000 0.422 504 F N 1.823 121.833 119.950 0.100 0.000 2.087 504 F HA -0.263 4.264 4.527 -0.000 0.000 0.299 504 F C 2.003 177.856 175.800 0.089 0.000 1.100 504 F CA 1.252 59.253 58.000 0.002 0.000 1.226 504 F CB -0.217 38.778 39.000 -0.009 0.000 0.983 504 F HN 0.015 nan 8.300 nan 0.000 0.479 505 L N 0.544 121.963 121.223 0.326 0.000 1.971 505 L HA -0.256 4.084 4.340 -0.000 0.000 0.215 505 L C 2.825 179.794 176.870 0.166 0.000 1.072 505 L CA 2.196 57.224 54.840 0.312 0.000 0.758 505 L CB -2.129 40.115 42.059 0.308 0.000 0.889 505 L HN 0.311 nan 8.230 nan 0.000 0.433 506 A N -0.789 122.104 122.820 0.123 0.000 2.093 506 A HA -0.183 4.137 4.320 -0.000 0.000 0.222 506 A C 2.144 179.741 177.584 0.022 0.000 1.162 506 A CA 1.923 54.005 52.037 0.074 0.000 0.655 506 A CB -0.937 18.105 19.000 0.070 0.000 0.805 506 A HN 0.552 nan 8.150 nan 0.000 0.461 507 G N -2.847 105.927 108.800 -0.044 0.000 3.044 507 G HA2 0.323 4.283 3.960 -0.000 0.000 0.223 507 G HA3 0.323 4.283 3.960 -0.000 0.000 0.223 507 G C 0.157 174.964 174.900 -0.154 0.000 1.123 507 G CA -0.325 44.706 45.100 -0.115 0.000 0.765 507 G HN 0.285 nan 8.290 nan 0.000 0.546 508 F N 2.394 122.160 119.950 -0.308 0.000 2.571 508 F HA 0.346 4.873 4.527 -0.000 0.000 0.384 508 F C 0.609 176.351 175.800 -0.096 0.000 1.058 508 F CA -1.319 56.527 58.000 -0.257 0.000 1.200 508 F CB 0.884 39.833 39.000 -0.085 0.000 1.077 508 F HN 0.063 nan 8.300 nan 0.000 0.558 509 E N 5.267 125.047 120.200 -0.701 0.000 2.259 509 E HA 0.486 4.836 4.350 -0.000 0.000 0.281 509 E C -0.260 176.008 176.600 -0.555 0.000 1.037 509 E CA -0.438 55.666 56.400 -0.494 0.000 0.854 509 E CB 0.896 30.371 29.700 -0.375 0.000 1.051 509 E HN 0.731 nan 8.360 nan 0.000 0.409 510 A N 0.000 122.696 122.820 -0.206 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.997 52.037 -0.067 0.000 0.836 510 A CB 0.000 19.000 19.000 0.000 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486