REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2jdi_1_C 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 0.000 176.285 176.300 -0.026 0.000 2.045 24 D CA 0.000 53.992 54.000 -0.014 0.000 0.868 24 D CB 0.000 40.792 40.800 -0.014 0.000 0.688 25 L N 3.478 124.676 121.223 -0.043 0.000 3.017 25 L HA 0.371 4.711 4.340 -0.000 0.000 0.255 25 L C 1.382 178.204 176.870 -0.081 0.000 1.247 25 L CA -0.155 54.640 54.840 -0.075 0.000 1.038 25 L CB 0.271 42.253 42.059 -0.128 0.000 1.380 25 L HN 0.506 nan 8.230 nan 0.000 0.548 26 E N 0.253 120.420 120.200 -0.055 0.000 2.060 26 E HA -0.078 4.272 4.350 -0.000 0.000 0.189 26 E C 1.177 177.748 176.600 -0.048 0.000 0.974 26 E CA 0.737 57.107 56.400 -0.049 0.000 0.808 26 E CB 0.439 30.118 29.700 -0.035 0.000 0.768 26 E HN 0.344 nan 8.360 nan 0.000 0.453 27 E N 0.243 120.418 120.200 -0.042 0.000 2.452 27 E HA 0.032 4.381 4.350 -0.000 0.000 0.197 27 E C 0.733 177.304 176.600 -0.049 0.000 1.022 27 E CA 0.456 56.832 56.400 -0.040 0.000 0.890 27 E CB 0.878 30.560 29.700 -0.030 0.000 0.918 27 E HN 0.240 nan 8.360 nan 0.000 0.496 28 T N -2.587 111.935 114.554 -0.052 0.000 2.864 28 T HA 0.796 5.146 4.350 -0.000 0.000 0.289 28 T C 0.274 174.934 174.700 -0.068 0.000 1.082 28 T CA -0.545 61.521 62.100 -0.057 0.000 1.009 28 T CB 2.519 71.364 68.868 -0.037 0.000 1.234 28 T HN 0.007 nan 8.240 nan 0.000 0.526 29 G N -0.103 108.660 108.800 -0.062 0.000 2.687 29 G HA2 0.674 4.634 3.960 -0.000 0.000 0.291 29 G HA3 0.674 4.634 3.960 -0.000 0.000 0.291 29 G C -1.738 173.162 174.900 0.001 0.000 1.420 29 G CA -1.043 44.027 45.100 -0.051 0.000 0.796 29 G HN 0.697 nan 8.290 nan 0.000 0.485 30 R N -0.302 120.233 120.500 0.058 0.000 2.621 30 R HA 0.488 4.828 4.340 -0.000 0.000 0.292 30 R C -0.740 175.628 176.300 0.113 0.000 0.969 30 R CA -0.722 55.434 56.100 0.092 0.000 0.887 30 R CB 2.169 32.540 30.300 0.118 0.000 1.180 30 R HN 0.353 nan 8.270 nan 0.000 0.450 31 V N 5.084 125.073 119.914 0.123 0.000 2.485 31 V HA -0.016 4.104 4.120 -0.000 0.000 0.287 31 V C 1.846 177.996 176.094 0.093 0.000 1.022 31 V CA 0.397 62.780 62.300 0.138 0.000 1.067 31 V CB 0.293 32.217 31.823 0.168 0.000 0.967 31 V HN 0.668 nan 8.190 nan 0.000 0.479 32 L N 3.845 125.118 121.223 0.084 0.000 2.102 32 L HA 0.099 4.439 4.340 -0.000 0.000 0.202 32 L C 1.017 177.907 176.870 0.032 0.000 1.076 32 L CA 1.032 55.901 54.840 0.048 0.000 0.761 32 L CB -0.003 42.083 42.059 0.045 0.000 0.921 32 L HN 0.849 nan 8.230 nan 0.000 0.444 33 S N -1.237 114.486 115.700 0.038 0.000 2.570 33 S HA 0.668 5.138 4.470 -0.000 0.000 0.270 33 S C -1.028 173.584 174.600 0.019 0.000 1.149 33 S CA -0.769 57.443 58.200 0.020 0.000 0.837 33 S CB 2.738 65.943 63.200 0.009 0.000 1.124 33 S HN 0.022 nan 8.310 nan 0.000 0.465 34 I N 0.045 120.613 120.570 -0.004 0.000 2.649 34 I HA 0.809 4.979 4.170 -0.000 0.000 0.289 34 I C -0.626 175.469 176.117 -0.036 0.000 1.222 34 I CA 0.371 61.655 61.300 -0.027 0.000 1.046 34 I CB 1.579 39.547 38.000 -0.054 0.000 1.272 34 I HN 1.315 nan 8.210 nan 0.000 0.425 35 G N 4.742 113.516 108.800 -0.043 0.000 2.716 35 G HA2 0.429 4.389 3.960 -0.000 0.000 0.299 35 G HA3 0.429 4.389 3.960 -0.000 0.000 0.299 35 G C -1.256 173.616 174.900 -0.047 0.000 1.450 35 G CA -0.479 44.596 45.100 -0.041 0.000 0.968 35 G HN 0.705 nan 8.290 nan 0.000 0.566 36 D N 0.267 120.639 120.400 -0.047 0.000 2.772 36 D HA -0.190 4.449 4.640 -0.000 0.000 0.233 36 D C 1.604 177.869 176.300 -0.059 0.000 1.143 36 D CA 2.589 56.561 54.000 -0.047 0.000 0.700 36 D CB -1.149 39.625 40.800 -0.042 0.000 1.076 36 D HN 2.236 nan 8.370 nan 0.000 0.430 37 G N -0.902 107.855 108.800 -0.072 0.000 2.168 37 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.263 37 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.263 37 G C 0.204 175.047 174.900 -0.095 0.000 0.977 37 G CA 0.404 45.449 45.100 -0.091 0.000 0.659 37 G HN 0.491 nan 8.290 nan 0.000 0.533 38 I N 0.922 121.450 120.570 -0.072 0.000 2.389 38 I HA 0.688 4.858 4.170 -0.000 0.000 0.288 38 I C 0.470 176.575 176.117 -0.020 0.000 0.999 38 I CA -1.158 60.114 61.300 -0.047 0.000 1.129 38 I CB 1.160 39.134 38.000 -0.043 0.000 1.288 38 I HN 0.311 nan 8.210 nan 0.000 0.444 39 A N 7.756 130.595 122.820 0.031 0.000 2.288 39 A HA 0.729 5.049 4.320 -0.000 0.000 0.320 39 A C -0.089 177.555 177.584 0.099 0.000 1.217 39 A CA -0.743 51.350 52.037 0.093 0.000 0.840 39 A CB 0.854 20.002 19.000 0.247 0.000 1.179 39 A HN 0.565 nan 8.150 nan 0.000 0.504 40 R N 1.807 122.352 120.500 0.076 0.000 2.229 40 R HA 0.486 4.826 4.340 -0.000 0.000 0.328 40 R C -1.136 175.217 176.300 0.089 0.000 1.009 40 R CA -0.395 55.745 56.100 0.066 0.000 0.864 40 R CB 1.220 31.545 30.300 0.042 0.000 1.085 40 R HN 0.423 nan 8.270 nan 0.000 0.453 41 V N 3.534 123.497 119.914 0.081 0.000 2.448 41 V HA 0.146 4.266 4.120 -0.000 0.000 0.295 41 V C -0.078 176.070 176.094 0.090 0.000 1.025 41 V CA -0.978 61.372 62.300 0.082 0.000 0.859 41 V CB 1.437 33.279 31.823 0.032 0.000 0.988 41 V HN 0.692 nan 8.190 nan 0.000 0.431 42 H N 3.387 122.463 119.070 0.011 0.000 2.652 42 H HA 0.612 5.168 4.556 -0.000 0.000 0.349 42 H C 0.670 175.995 175.328 -0.004 0.000 1.099 42 H CA 1.526 57.576 56.048 0.004 0.000 1.417 42 H CB 1.036 30.802 29.762 0.007 0.000 1.457 42 H HN 1.076 nan 8.280 nan 0.000 0.568 43 G N 3.069 111.530 108.800 -0.566 0.000 2.496 43 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.243 43 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.243 43 G C 0.010 174.798 174.900 -0.188 0.000 1.176 43 G CA -0.315 44.538 45.100 -0.411 0.000 0.940 43 G HN 1.221 nan 8.290 nan 0.000 0.573 44 L N -0.216 120.927 121.223 -0.134 0.000 3.739 44 L HA -0.221 4.119 4.340 -0.000 0.000 0.442 44 L C 2.303 179.126 176.870 -0.079 0.000 1.241 44 L CA 0.792 55.576 54.840 -0.093 0.000 0.819 44 L CB -0.732 41.276 42.059 -0.084 0.000 1.679 44 L HN 0.656 nan 8.230 nan 0.000 0.889 45 R N 0.100 120.550 120.500 -0.084 0.000 2.127 45 R HA -0.110 4.230 4.340 -0.000 0.000 0.238 45 R C 1.341 177.615 176.300 -0.043 0.000 1.134 45 R CA 1.531 57.593 56.100 -0.063 0.000 0.975 45 R CB -0.233 30.031 30.300 -0.061 0.000 0.865 45 R HN 0.572 nan 8.270 nan 0.000 0.447 46 N N 0.013 118.688 118.700 -0.041 0.000 2.280 46 N HA -0.001 4.739 4.740 -0.000 0.000 0.192 46 N C -0.015 175.479 175.510 -0.028 0.000 1.109 46 N CA -0.012 53.020 53.050 -0.030 0.000 0.855 46 N CB 0.399 38.869 38.487 -0.027 0.000 0.974 46 N HN -0.091 nan 8.380 nan 0.000 0.482 47 V N 1.403 121.297 119.914 -0.033 0.000 2.740 47 V HA 0.004 4.124 4.120 -0.000 0.000 0.303 47 V C 0.131 176.215 176.094 -0.017 0.000 1.054 47 V CA -0.004 62.279 62.300 -0.028 0.000 1.106 47 V CB 0.829 32.630 31.823 -0.037 0.000 0.957 47 V HN 0.240 nan 8.190 nan 0.000 0.486 48 Q N 3.983 123.777 119.800 -0.010 0.000 2.222 48 Q HA 0.630 4.970 4.340 -0.000 0.000 0.252 48 Q C 0.053 176.056 176.000 0.005 0.000 0.926 48 Q CA -0.418 55.384 55.803 -0.002 0.000 0.899 48 Q CB 1.489 30.228 28.738 0.001 0.000 1.250 48 Q HN 0.959 nan 8.270 nan 0.000 0.441 49 A N 2.344 125.170 122.820 0.009 0.000 2.548 49 A HA -0.015 4.305 4.320 -0.000 0.000 0.247 49 A C 0.182 177.781 177.584 0.024 0.000 1.067 49 A CA 0.522 52.570 52.037 0.017 0.000 0.757 49 A CB -0.345 18.667 19.000 0.020 0.000 0.996 49 A HN 0.991 nan 8.150 nan 0.000 0.504 50 E N -0.456 119.764 120.200 0.032 0.000 4.047 50 E HA -0.196 4.154 4.350 -0.000 0.000 0.340 50 E C 0.214 176.845 176.600 0.053 0.000 0.720 50 E CA 1.138 57.566 56.400 0.048 0.000 1.320 50 E CB -1.444 28.280 29.700 0.041 0.000 1.685 50 E HN 0.964 nan 8.360 nan 0.000 0.416 51 E N 0.900 121.122 120.200 0.037 0.000 2.384 51 E HA 0.197 4.547 4.350 -0.000 0.000 0.266 51 E C -0.048 176.584 176.600 0.053 0.000 1.012 51 E CA -0.234 56.185 56.400 0.032 0.000 0.901 51 E CB 0.589 30.295 29.700 0.010 0.000 0.967 51 E HN 0.058 nan 8.360 nan 0.000 0.435 52 M N 5.468 125.104 119.600 0.059 0.000 2.200 52 M HA 0.159 4.639 4.480 -0.000 0.000 0.355 52 M C -1.056 175.264 176.300 0.034 0.000 1.283 52 M CA -0.236 55.117 55.300 0.088 0.000 1.124 52 M CB 0.876 33.520 32.600 0.073 0.000 1.625 52 M HN 0.336 nan 8.290 nan 0.000 0.463 53 V N 1.790 121.715 119.914 0.018 0.000 3.046 53 V HA 0.745 4.865 4.120 -0.000 0.000 0.316 53 V C -0.963 175.074 176.094 -0.096 0.000 1.104 53 V CA -0.881 61.367 62.300 -0.087 0.000 1.006 53 V CB 1.883 33.586 31.823 -0.201 0.000 1.058 53 V HN 0.891 nan 8.190 nan 0.000 0.440 54 E N 1.006 121.118 120.200 -0.147 0.000 2.199 54 E HA 0.550 4.900 4.350 -0.000 0.000 0.265 54 E C -1.548 174.957 176.600 -0.158 0.000 0.882 54 E CA -0.705 55.660 56.400 -0.059 0.000 0.759 54 E CB 1.593 31.298 29.700 0.009 0.000 1.148 54 E HN 0.615 nan 8.360 nan 0.000 0.412 55 F N 1.781 121.755 119.950 0.040 0.000 2.378 55 F HA 0.089 4.616 4.527 -0.000 0.000 0.319 55 F C 2.069 177.885 175.800 0.027 0.000 1.155 55 F CA 0.107 58.126 58.000 0.031 0.000 1.157 55 F CB 1.069 40.088 39.000 0.031 0.000 1.252 55 F HN 0.562 nan 8.300 nan 0.000 0.550 56 S N 0.609 116.445 115.700 0.227 0.000 2.381 56 S HA -0.258 4.212 4.470 -0.000 0.000 0.230 56 S C 2.123 176.792 174.600 0.114 0.000 1.052 56 S CA 2.266 60.544 58.200 0.131 0.000 1.068 56 S CB -0.722 62.546 63.200 0.113 0.000 0.918 56 S HN 0.740 nan 8.310 nan 0.000 0.448 57 S N -0.681 115.098 115.700 0.132 0.000 2.489 57 S HA 0.358 4.828 4.470 -0.000 0.000 0.228 57 S C 1.672 176.324 174.600 0.087 0.000 0.995 57 S CA 1.054 59.305 58.200 0.086 0.000 0.934 57 S CB -0.243 62.991 63.200 0.057 0.000 0.771 57 S HN 1.412 nan 8.310 nan 0.000 0.522 58 G N 0.564 109.437 108.800 0.123 0.000 2.253 58 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.209 58 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.209 58 G C -0.000 174.985 174.900 0.142 0.000 0.997 58 G CA -0.149 45.016 45.100 0.108 0.000 0.640 58 G HN 0.450 nan 8.290 nan 0.000 0.496 59 L N 1.143 122.469 121.223 0.171 0.000 2.506 59 L HA 0.299 4.639 4.340 -0.000 0.000 0.281 59 L C 0.867 177.955 176.870 0.362 0.000 1.228 59 L CA 0.532 55.495 54.840 0.205 0.000 0.850 59 L CB 0.435 42.551 42.059 0.095 0.000 1.110 59 L HN 0.148 nan 8.230 nan 0.000 0.496 60 K N 1.071 121.680 120.400 0.348 0.000 2.238 60 K HA 0.762 5.082 4.320 -0.000 0.000 0.239 60 K C -0.209 176.732 176.600 0.568 0.000 0.987 60 K CA -0.687 55.838 56.287 0.395 0.000 0.857 60 K CB 2.107 34.763 32.500 0.260 0.000 1.154 60 K HN 0.744 nan 8.250 nan 0.000 0.439 61 G N 0.562 109.667 108.800 0.508 0.000 2.692 61 G HA2 0.493 4.453 3.960 -0.000 0.000 0.291 61 G HA3 0.493 4.453 3.960 -0.000 0.000 0.291 61 G C -1.774 173.303 174.900 0.294 0.000 1.423 61 G CA -0.745 44.590 45.100 0.392 0.000 0.843 61 G HN 0.476 nan 8.290 nan 0.000 0.486 62 M N 1.420 121.104 119.600 0.140 0.000 2.205 62 M HA 0.464 4.944 4.480 -0.000 0.000 0.344 62 M C -0.242 176.093 176.300 0.058 0.000 1.085 62 M CA -0.568 54.833 55.300 0.169 0.000 1.001 62 M CB 1.334 34.085 32.600 0.251 0.000 1.626 62 M HN 0.348 nan 8.290 nan 0.000 0.442 63 S N 6.345 122.076 115.700 0.051 0.000 2.503 63 S HA 0.185 4.655 4.470 -0.000 0.000 0.317 63 S C 0.873 175.486 174.600 0.022 0.000 1.162 63 S CA -0.300 57.913 58.200 0.021 0.000 1.124 63 S CB -0.235 62.969 63.200 0.007 0.000 1.207 63 S HN 0.741 nan 8.310 nan 0.000 0.538 64 L N 1.911 123.140 121.223 0.011 0.000 2.470 64 L HA 0.229 4.569 4.340 -0.000 0.000 0.219 64 L C 0.117 176.993 176.870 0.010 0.000 1.071 64 L CA 0.369 55.215 54.840 0.010 0.000 0.850 64 L CB 0.048 42.100 42.059 -0.011 0.000 1.040 64 L HN 0.361 nan 8.230 nan 0.000 0.475 65 N N 0.810 119.512 118.700 0.004 0.000 2.518 65 N HA 0.374 5.114 4.740 -0.000 0.000 0.254 65 N C -1.038 174.476 175.510 0.006 0.000 0.979 65 N CA -0.085 52.968 53.050 0.005 0.000 0.930 65 N CB 1.294 39.781 38.487 -0.000 0.000 1.152 65 N HN -0.005 nan 8.380 nan 0.000 0.505 66 L N 2.053 123.281 121.223 0.007 0.000 2.270 66 L HA 0.399 4.739 4.340 -0.000 0.000 0.286 66 L C 0.414 177.287 176.870 0.005 0.000 1.059 66 L CA -0.276 54.566 54.840 0.004 0.000 0.839 66 L CB 0.419 42.480 42.059 0.002 0.000 1.221 66 L HN 0.357 nan 8.230 nan 0.000 0.431 67 E N 3.539 123.743 120.200 0.006 0.000 2.232 67 E HA 0.302 4.652 4.350 -0.000 0.000 0.264 67 E C -1.661 174.945 176.600 0.010 0.000 0.973 67 E CA -1.803 54.602 56.400 0.009 0.000 0.849 67 E CB 1.684 31.390 29.700 0.011 0.000 1.198 67 E HN 0.266 nan 8.360 nan 0.000 0.407 68 P HA -0.167 nan 4.420 nan 0.000 0.218 68 P C 0.320 177.632 177.300 0.020 0.000 1.148 68 P CA 1.306 64.413 63.100 0.012 0.000 0.822 68 P CB 0.190 31.898 31.700 0.013 0.000 0.784 69 D N -2.131 118.289 120.400 0.032 0.000 2.469 69 D HA 0.059 4.699 4.640 -0.000 0.000 0.213 69 D C 0.063 176.414 176.300 0.084 0.000 1.135 69 D CA -0.104 53.933 54.000 0.062 0.000 0.834 69 D CB -0.488 40.347 40.800 0.059 0.000 1.009 69 D HN 0.342 nan 8.370 nan 0.000 0.507 70 N N -1.383 117.346 118.700 0.049 0.000 2.961 70 N HA 0.369 5.109 4.740 -0.000 0.000 0.245 70 N C -1.957 173.566 175.510 0.022 0.000 1.404 70 N CA -0.957 52.122 53.050 0.048 0.000 0.880 70 N CB 1.741 40.262 38.487 0.057 0.000 1.461 70 N HN -0.217 nan 8.380 nan 0.000 0.510 71 V N 0.175 120.099 119.914 0.018 0.000 2.417 71 V HA 0.755 4.875 4.120 -0.000 0.000 0.291 71 V C 0.645 176.751 176.094 0.020 0.000 1.024 71 V CA -0.578 61.727 62.300 0.008 0.000 0.861 71 V CB 1.265 33.083 31.823 -0.010 0.000 0.985 71 V HN 0.874 nan 8.190 nan 0.000 0.436 72 G N 3.709 112.518 108.800 0.015 0.000 2.327 72 G HA2 0.522 4.482 3.960 -0.000 0.000 0.302 72 G HA3 0.522 4.482 3.960 -0.000 0.000 0.302 72 G C -0.736 174.173 174.900 0.015 0.000 1.113 72 G CA -0.195 44.914 45.100 0.015 0.000 0.921 72 G HN 0.540 nan 8.290 nan 0.000 0.425 73 V N 3.971 123.910 119.914 0.042 0.000 2.409 73 V HA 0.372 4.492 4.120 -0.000 0.000 0.291 73 V C 0.462 176.572 176.094 0.028 0.000 1.020 73 V CA -0.855 61.481 62.300 0.061 0.000 0.848 73 V CB 1.545 33.458 31.823 0.150 0.000 0.990 73 V HN 0.770 nan 8.190 nan 0.000 0.430 74 V N 4.064 123.938 119.914 -0.067 0.000 2.498 74 V HA 0.610 4.730 4.120 -0.000 0.000 0.279 74 V C -0.065 175.862 176.094 -0.280 0.000 1.048 74 V CA -0.356 61.833 62.300 -0.184 0.000 0.967 74 V CB 1.329 32.993 31.823 -0.264 0.000 0.988 74 V HN 0.491 nan 8.190 nan 0.000 0.473 75 V N 5.776 125.547 119.914 -0.238 0.000 2.407 75 V HA 0.353 4.473 4.120 -0.000 0.000 0.278 75 V C 0.140 176.099 176.094 -0.225 0.000 1.037 75 V CA -0.138 62.053 62.300 -0.182 0.000 0.900 75 V CB 0.883 32.592 31.823 -0.191 0.000 0.983 75 V HN 0.838 nan 8.190 nan 0.000 0.459 76 F N 4.588 124.586 119.950 0.080 0.000 2.669 76 F HA 0.580 5.107 4.527 -0.000 0.000 0.353 76 F C 1.176 177.002 175.800 0.043 0.000 1.192 76 F CA 0.585 58.629 58.000 0.072 0.000 1.317 76 F CB 0.144 39.199 39.000 0.091 0.000 1.652 76 F HN 0.764 nan 8.300 nan 0.000 0.608 77 G N 0.632 109.503 108.800 0.118 0.000 2.351 77 G HA2 -0.024 3.935 3.960 -0.000 0.000 0.279 77 G HA3 -0.024 3.935 3.960 -0.000 0.000 0.279 77 G C -1.771 173.129 174.900 0.000 0.000 1.297 77 G CA -1.248 43.892 45.100 0.067 0.000 0.886 77 G HN 0.195 nan 8.290 nan 0.000 0.493 78 N N 0.328 119.021 118.700 -0.011 0.000 2.422 78 N HA 0.383 5.123 4.740 -0.000 0.000 0.264 78 N C 0.938 176.405 175.510 -0.072 0.000 1.063 78 N CA 0.141 53.173 53.050 -0.031 0.000 0.959 78 N CB 0.926 39.404 38.487 -0.015 0.000 1.087 78 N HN 0.519 nan 8.380 nan 0.000 0.483 79 D N 2.962 123.310 120.400 -0.086 0.000 2.371 79 D HA -0.205 4.435 4.640 -0.000 0.000 0.221 79 D C 1.368 177.607 176.300 -0.102 0.000 0.986 79 D CA 0.773 54.697 54.000 -0.127 0.000 0.899 79 D CB -0.026 40.699 40.800 -0.126 0.000 0.902 79 D HN 0.662 nan 8.370 nan 0.000 0.530 80 K N 0.906 121.267 120.400 -0.066 0.000 2.281 80 K HA -0.114 4.206 4.320 -0.000 0.000 0.203 80 K C 1.500 178.069 176.600 -0.051 0.000 1.046 80 K CA 0.829 57.087 56.287 -0.048 0.000 0.938 80 K CB -0.373 32.109 32.500 -0.030 0.000 0.737 80 K HN 0.240 nan 8.250 nan 0.000 0.458 81 L N 1.161 122.343 121.223 -0.068 0.000 2.591 81 L HA 0.274 4.614 4.340 -0.000 0.000 0.228 81 L C 0.406 177.221 176.870 -0.092 0.000 1.133 81 L CA -0.055 54.749 54.840 -0.061 0.000 0.880 81 L CB 0.019 42.050 42.059 -0.047 0.000 1.033 81 L HN 0.169 nan 8.230 nan 0.000 0.450 82 I N -0.490 119.999 120.570 -0.135 0.000 2.545 82 I HA 0.323 4.493 4.170 -0.000 0.000 0.292 82 I C -0.477 175.595 176.117 -0.075 0.000 1.040 82 I CA -0.580 60.627 61.300 -0.154 0.000 1.068 82 I CB 2.130 39.901 38.000 -0.381 0.000 1.251 82 I HN -0.083 nan 8.210 nan 0.000 0.424 83 K N 3.662 124.050 120.400 -0.020 0.000 2.435 83 K HA 0.349 4.669 4.320 -0.000 0.000 0.251 83 K C -0.816 175.800 176.600 0.026 0.000 0.954 83 K CA -0.965 55.322 56.287 -0.000 0.000 0.820 83 K CB 2.385 34.890 32.500 0.008 0.000 1.292 83 K HN 0.521 nan 8.250 nan 0.000 0.436 84 E N 0.407 120.620 120.200 0.021 0.000 2.529 84 E HA -0.094 4.256 4.350 -0.000 0.000 0.259 84 E C 0.542 177.165 176.600 0.038 0.000 0.966 84 E CA 1.599 58.017 56.400 0.031 0.000 0.937 84 E CB 0.158 29.868 29.700 0.016 0.000 0.923 84 E HN 0.794 nan 8.360 nan 0.000 0.468 85 G N 4.074 112.905 108.800 0.051 0.000 2.217 85 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.246 85 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.246 85 G C -0.142 174.797 174.900 0.064 0.000 0.990 85 G CA 0.139 45.269 45.100 0.050 0.000 0.627 85 G HN 0.648 nan 8.290 nan 0.000 0.522 86 D N 0.483 120.934 120.400 0.085 0.000 2.443 86 D HA 0.378 5.018 4.640 -0.000 0.000 0.239 86 D C 1.006 177.374 176.300 0.112 0.000 1.136 86 D CA -0.168 53.897 54.000 0.108 0.000 0.879 86 D CB 1.004 41.897 40.800 0.153 0.000 1.195 86 D HN 0.434 nan 8.370 nan 0.000 0.443 87 I N 1.658 122.278 120.570 0.083 0.000 2.836 87 I HA 0.044 4.214 4.170 -0.000 0.000 0.285 87 I C -0.592 175.537 176.117 0.020 0.000 1.174 87 I CA -0.056 61.271 61.300 0.045 0.000 1.405 87 I CB 0.571 38.587 38.000 0.027 0.000 1.385 87 I HN -0.020 nan 8.210 nan 0.000 0.594 88 V N 6.949 126.825 119.914 -0.064 0.000 2.638 88 V HA 0.457 4.577 4.120 -0.000 0.000 0.306 88 V C -0.599 175.398 176.094 -0.163 0.000 1.052 88 V CA -0.882 61.284 62.300 -0.224 0.000 0.885 88 V CB 1.779 33.392 31.823 -0.349 0.000 0.999 88 V HN 0.623 nan 8.190 nan 0.000 0.424 89 K N 3.313 123.612 120.400 -0.168 0.000 2.324 89 K HA 0.612 4.932 4.320 -0.000 0.000 0.253 89 K C -0.561 175.978 176.600 -0.101 0.000 0.932 89 K CA -0.940 55.286 56.287 -0.101 0.000 0.799 89 K CB 2.751 35.216 32.500 -0.058 0.000 1.154 89 K HN 0.532 nan 8.250 nan 0.000 0.425 90 R N 0.553 121.009 120.500 -0.073 0.000 2.623 90 R HA 0.021 4.361 4.340 -0.000 0.000 0.271 90 R C 0.577 176.853 176.300 -0.039 0.000 1.043 90 R CA 0.411 56.477 56.100 -0.056 0.000 1.083 90 R CB 0.450 30.724 30.300 -0.043 0.000 0.974 90 R HN 0.644 nan 8.270 nan 0.000 0.436 91 T N 0.385 114.922 114.554 -0.029 0.000 3.023 91 T HA 0.104 4.454 4.350 -0.000 0.000 0.249 91 T C 1.190 175.883 174.700 -0.013 0.000 1.050 91 T CA 0.628 62.718 62.100 -0.016 0.000 1.088 91 T CB 0.381 69.245 68.868 -0.006 0.000 0.946 91 T HN 0.928 nan 8.240 nan 0.000 0.480 92 G N 1.569 110.361 108.800 -0.013 0.000 2.162 92 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.260 92 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.260 92 G C 0.124 175.021 174.900 -0.005 0.000 0.976 92 G CA 0.161 45.255 45.100 -0.010 0.000 0.655 92 G HN 0.968 nan 8.290 nan 0.000 0.533 93 A N -0.222 122.596 122.820 -0.003 0.000 2.475 93 A HA 0.794 5.114 4.320 -0.000 0.000 0.301 93 A C 0.154 177.742 177.584 0.007 0.000 1.059 93 A CA -0.749 51.288 52.037 -0.000 0.000 0.710 93 A CB 1.328 20.325 19.000 -0.004 0.000 1.288 93 A HN 0.504 nan 8.150 nan 0.000 0.408 94 I N 1.664 122.238 120.570 0.007 0.000 2.882 94 I HA 0.127 4.297 4.170 -0.000 0.000 0.286 94 I C 0.563 176.681 176.117 0.001 0.000 1.139 94 I CA 0.012 61.319 61.300 0.011 0.000 1.379 94 I CB 1.101 39.105 38.000 0.006 0.000 1.410 94 I HN 0.466 nan 8.210 nan 0.000 0.594 95 V N 3.218 123.131 119.914 -0.000 0.000 2.763 95 V HA 0.060 4.179 4.120 -0.000 0.000 0.306 95 V C -0.142 175.927 176.094 -0.041 0.000 1.059 95 V CA -0.246 62.031 62.300 -0.039 0.000 1.138 95 V CB 0.188 31.968 31.823 -0.072 0.000 0.940 95 V HN 0.915 nan 8.190 nan 0.000 0.489 96 D N 2.141 122.510 120.400 -0.052 0.000 2.592 96 D HA 0.752 5.392 4.640 -0.000 0.000 0.263 96 D C -0.733 175.535 176.300 -0.052 0.000 1.132 96 D CA -0.710 53.265 54.000 -0.041 0.000 0.996 96 D CB 2.132 42.913 40.800 -0.031 0.000 1.442 96 D HN 0.634 nan 8.370 nan 0.000 0.486 97 V N -4.734 115.154 119.914 -0.043 0.000 3.049 97 V HA 0.743 4.863 4.120 -0.000 0.000 0.309 97 V C -2.804 173.257 176.094 -0.054 0.000 1.148 97 V CA -2.285 59.987 62.300 -0.047 0.000 0.990 97 V CB 1.695 33.498 31.823 -0.033 0.000 1.039 97 V HN 0.638 nan 8.190 nan 0.000 0.430 98 P HA 0.309 nan 4.420 nan 0.000 0.267 98 P C -0.776 176.456 177.300 -0.114 0.000 1.200 98 P CA 0.184 63.234 63.100 -0.083 0.000 0.772 98 P CB 1.377 33.035 31.700 -0.070 0.000 0.855 99 V N 1.241 121.040 119.914 -0.191 0.000 3.048 99 V HA 0.785 4.905 4.120 -0.000 0.000 0.303 99 V C 0.227 175.966 176.094 -0.591 0.000 1.214 99 V CA 0.432 62.540 62.300 -0.320 0.000 0.984 99 V CB 1.945 33.621 31.823 -0.244 0.000 1.054 99 V HN 1.105 nan 8.190 nan 0.000 0.430 100 G N 2.896 111.122 108.800 -0.956 0.000 2.371 100 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.663 100 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.663 100 G C 0.036 174.624 174.900 -0.520 0.000 1.311 100 G CA 0.039 44.411 45.100 -1.212 0.000 0.985 100 G HN 0.659 nan 8.290 nan 0.000 0.566 101 E N -0.164 119.856 120.200 -0.299 0.000 2.409 101 E HA -0.040 4.310 4.350 -0.000 0.000 0.198 101 E C 1.892 178.492 176.600 0.001 0.000 1.024 101 E CA 1.196 57.583 56.400 -0.023 0.000 0.861 101 E CB 0.083 29.803 29.700 0.033 0.000 0.788 101 E HN 0.527 nan 8.360 nan 0.000 0.521 102 E N 0.187 120.350 120.200 -0.061 0.000 2.418 102 E HA -0.092 4.258 4.350 -0.000 0.000 0.197 102 E C 1.546 178.140 176.600 -0.011 0.000 1.026 102 E CA 0.381 56.763 56.400 -0.030 0.000 0.862 102 E CB 0.042 29.711 29.700 -0.052 0.000 0.799 102 E HN 0.218 nan 8.360 nan 0.000 0.518 103 L N 0.149 121.366 121.223 -0.010 0.000 2.395 103 L HA 0.043 4.383 4.340 -0.000 0.000 0.218 103 L C 0.370 177.278 176.870 0.062 0.000 1.130 103 L CA 0.011 54.863 54.840 0.020 0.000 0.826 103 L CB -0.083 41.987 42.059 0.019 0.000 0.941 103 L HN 0.097 nan 8.230 nan 0.000 0.451 104 L N 0.702 121.982 121.223 0.095 0.000 2.534 104 L HA 0.126 4.466 4.340 -0.000 0.000 0.271 104 L C 1.297 178.207 176.870 0.067 0.000 1.178 104 L CA 0.599 55.510 54.840 0.118 0.000 0.907 104 L CB -0.095 42.074 42.059 0.183 0.000 1.164 104 L HN 0.352 nan 8.230 nan 0.000 0.482 105 G N 2.111 110.932 108.800 0.036 0.000 2.157 105 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.239 105 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.239 105 G C 0.150 175.052 174.900 0.003 0.000 0.982 105 G CA -0.517 44.583 45.100 0.001 0.000 0.650 105 G HN 0.470 nan 8.290 nan 0.000 0.527 106 R N -0.304 120.206 120.500 0.017 0.000 2.664 106 R HA 0.701 5.041 4.340 -0.000 0.000 0.286 106 R C -0.230 176.082 176.300 0.021 0.000 0.967 106 R CA -0.845 55.264 56.100 0.015 0.000 0.933 106 R CB 1.783 32.093 30.300 0.016 0.000 1.146 106 R HN 0.227 nan 8.270 nan 0.000 0.468 107 V N 2.877 122.802 119.914 0.019 0.000 2.370 107 V HA 0.409 4.529 4.120 -0.000 0.000 0.283 107 V C 0.367 176.477 176.094 0.027 0.000 1.023 107 V CA -0.768 61.549 62.300 0.029 0.000 0.857 107 V CB 1.324 33.163 31.823 0.026 0.000 0.985 107 V HN 0.587 nan 8.190 nan 0.000 0.443 108 V N 1.247 121.181 119.914 0.033 0.000 3.046 108 V HA 0.812 4.932 4.120 -0.000 0.000 0.316 108 V C -0.279 175.834 176.094 0.031 0.000 1.104 108 V CA -0.881 61.434 62.300 0.026 0.000 1.006 108 V CB 2.056 33.890 31.823 0.018 0.000 1.058 108 V HN 0.785 nan 8.190 nan 0.000 0.440 109 D N 1.732 122.147 120.400 0.025 0.000 2.440 109 D HA 0.459 5.099 4.640 -0.000 0.000 0.269 109 D C 1.176 177.490 176.300 0.023 0.000 1.249 109 D CA 0.024 54.042 54.000 0.030 0.000 1.055 109 D CB 0.912 41.730 40.800 0.030 0.000 1.104 109 D HN 0.823 nan 8.370 nan 0.000 0.561 110 A N -0.909 121.928 122.820 0.029 0.000 2.121 110 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 110 A C 2.007 179.581 177.584 -0.017 0.000 1.154 110 A CA 0.797 52.848 52.037 0.023 0.000 0.679 110 A CB -0.742 18.291 19.000 0.054 0.000 0.795 110 A HN 0.500 nan 8.150 nan 0.000 0.458 111 L N -1.936 119.264 121.223 -0.038 0.000 2.728 111 L HA 0.320 4.660 4.340 -0.000 0.000 0.238 111 L C 1.477 178.318 176.870 -0.048 0.000 1.143 111 L CA 0.470 55.264 54.840 -0.076 0.000 0.937 111 L CB 0.295 42.285 42.059 -0.115 0.000 1.225 111 L HN 0.480 nan 8.230 nan 0.000 0.507 112 G N -0.096 108.690 108.800 -0.023 0.000 2.157 112 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.248 112 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.248 112 G C 0.036 174.927 174.900 -0.015 0.000 0.979 112 G CA -0.313 44.776 45.100 -0.018 0.000 0.650 112 G HN 0.357 nan 8.290 nan 0.000 0.529 113 N N 1.134 119.828 118.700 -0.011 0.000 2.520 113 N HA 0.510 5.250 4.740 -0.000 0.000 0.273 113 N C 0.662 176.173 175.510 0.003 0.000 1.155 113 N CA 0.636 53.683 53.050 -0.005 0.000 0.967 113 N CB 1.275 39.761 38.487 -0.002 0.000 1.092 113 N HN 0.736 nan 8.380 nan 0.000 0.457 114 A N 2.023 124.843 122.820 0.002 0.000 2.511 114 A HA 0.203 4.523 4.320 -0.000 0.000 0.242 114 A C 1.294 178.884 177.584 0.010 0.000 1.069 114 A CA -0.081 51.959 52.037 0.005 0.000 0.763 114 A CB -0.448 18.554 19.000 0.002 0.000 1.001 114 A HN 0.840 nan 8.150 nan 0.000 0.498 115 I N -0.956 119.622 120.570 0.014 0.000 4.225 115 I HA 0.247 4.417 4.170 -0.000 0.000 0.327 115 I C 0.295 176.420 176.117 0.014 0.000 1.422 115 I CA 0.065 61.374 61.300 0.016 0.000 1.150 115 I CB 0.509 38.523 38.000 0.023 0.000 1.192 115 I HN 0.469 nan 8.210 nan 0.000 0.440 116 D N 1.228 121.635 120.400 0.010 0.000 2.339 116 D HA 0.169 4.809 4.640 -0.000 0.000 0.217 116 D C 1.672 177.974 176.300 0.004 0.000 1.050 116 D CA 0.622 54.626 54.000 0.007 0.000 0.856 116 D CB 0.229 41.032 40.800 0.004 0.000 0.922 116 D HN 0.444 nan 8.370 nan 0.000 0.518 117 G N 0.845 109.647 108.800 0.005 0.000 2.162 117 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.260 117 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.260 117 G C 0.863 175.764 174.900 0.001 0.000 0.976 117 G CA 0.460 45.562 45.100 0.003 0.000 0.655 117 G HN 0.462 nan 8.290 nan 0.000 0.533 118 K N 0.368 120.768 120.400 0.001 0.000 2.437 118 K HA 0.469 4.789 4.320 -0.000 0.000 0.198 118 K C 1.315 177.915 176.600 -0.000 0.000 1.024 118 K CA 0.516 56.803 56.287 -0.000 0.000 1.148 118 K CB 0.315 32.814 32.500 -0.001 0.000 0.860 118 K HN 1.398 nan 8.250 nan 0.000 0.515 119 G N 2.352 111.153 108.800 0.000 0.000 2.525 119 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.685 119 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.685 119 G C -2.965 171.934 174.900 -0.002 0.000 1.290 119 G CA -1.242 43.858 45.100 -0.001 0.000 0.915 119 G HN -0.024 nan 8.290 nan 0.000 0.548 120 P HA 0.493 nan 4.420 nan 0.000 0.275 120 P C 0.034 177.327 177.300 -0.010 0.000 1.228 120 P CA -0.465 62.631 63.100 -0.007 0.000 0.786 120 P CB 0.679 32.375 31.700 -0.007 0.000 0.927 121 I N 1.986 122.547 120.570 -0.014 0.000 2.363 121 I HA 0.077 4.247 4.170 -0.000 0.000 0.292 121 I C 1.698 177.798 176.117 -0.028 0.000 1.075 121 I CA 0.221 61.509 61.300 -0.021 0.000 1.333 121 I CB -0.109 37.876 38.000 -0.025 0.000 1.415 121 I HN 0.535 nan 8.210 nan 0.000 0.502 122 G N 4.941 113.725 108.800 -0.027 0.000 3.340 122 G HA2 0.040 4.000 3.960 -0.000 0.000 0.240 122 G HA3 0.040 4.000 3.960 -0.000 0.000 0.240 122 G C 0.816 175.687 174.900 -0.047 0.000 1.327 122 G CA -0.199 44.883 45.100 -0.031 0.000 1.170 122 G HN 0.699 nan 8.290 nan 0.000 0.520 123 S N -0.712 114.949 115.700 -0.065 0.000 2.584 123 S HA 0.298 4.768 4.470 -0.000 0.000 0.270 123 S C 0.695 175.243 174.600 -0.087 0.000 1.346 123 S CA -0.134 58.006 58.200 -0.100 0.000 1.018 123 S CB 1.650 64.773 63.200 -0.127 0.000 0.899 123 S HN 0.265 nan 8.310 nan 0.000 0.542 124 K N 0.515 120.852 120.400 -0.105 0.000 2.501 124 K HA 0.444 4.764 4.320 -0.000 0.000 0.204 124 K C -0.295 176.258 176.600 -0.079 0.000 1.067 124 K CA 0.009 56.251 56.287 -0.075 0.000 1.060 124 K CB 1.149 33.617 32.500 -0.055 0.000 0.873 124 K HN 0.728 nan 8.250 nan 0.000 0.540 125 A N 1.161 123.910 122.820 -0.118 0.000 2.475 125 A HA 0.712 5.032 4.320 -0.000 0.000 0.301 125 A C -1.022 176.500 177.584 -0.104 0.000 1.059 125 A CA -0.914 51.062 52.037 -0.101 0.000 0.710 125 A CB 1.319 20.253 19.000 -0.109 0.000 1.288 125 A HN 0.004 nan 8.150 nan 0.000 0.408 126 R N 0.969 121.431 120.500 -0.063 0.000 2.711 126 R HA 0.694 5.034 4.340 -0.000 0.000 0.284 126 R C -0.802 175.479 176.300 -0.033 0.000 0.968 126 R CA -0.673 55.395 56.100 -0.053 0.000 0.924 126 R CB 2.224 32.500 30.300 -0.040 0.000 1.162 126 R HN 0.809 nan 8.270 nan 0.000 0.465 127 R N 0.919 121.402 120.500 -0.028 0.000 2.604 127 R HA 0.275 4.615 4.340 -0.000 0.000 0.281 127 R C -0.547 175.749 176.300 -0.007 0.000 1.020 127 R CA -0.802 55.294 56.100 -0.006 0.000 0.899 127 R CB 2.523 32.829 30.300 0.010 0.000 1.205 127 R HN 0.553 nan 8.270 nan 0.000 0.450 128 R N 2.161 122.660 120.500 -0.001 0.000 2.640 128 R HA -0.016 4.324 4.340 -0.000 0.000 0.270 128 R C 1.175 177.475 176.300 -0.000 0.000 1.024 128 R CA 0.390 56.487 56.100 -0.005 0.000 1.085 128 R CB 0.832 31.130 30.300 -0.002 0.000 0.963 128 R HN 0.567 nan 8.270 nan 0.000 0.426 129 V N 1.930 121.838 119.914 -0.011 0.000 2.649 129 V HA 0.204 4.324 4.120 -0.000 0.000 0.248 129 V C 0.814 176.896 176.094 -0.020 0.000 1.054 129 V CA 1.399 63.699 62.300 -0.000 0.000 1.073 129 V CB -0.097 31.721 31.823 -0.009 0.000 0.699 129 V HN 0.729 nan 8.190 nan 0.000 0.463 130 G N 1.632 110.396 108.800 -0.060 0.000 3.005 130 G HA2 0.638 4.598 3.960 -0.000 0.000 0.342 130 G HA3 0.638 4.598 3.960 -0.000 0.000 0.342 130 G C -0.877 173.996 174.900 -0.046 0.000 1.101 130 G CA -0.404 44.632 45.100 -0.107 0.000 1.225 130 G HN 0.402 nan 8.290 nan 0.000 0.462 131 L N 1.087 122.301 121.223 -0.016 0.000 2.386 131 L HA 0.487 4.827 4.340 -0.000 0.000 0.271 131 L C 0.305 177.183 176.870 0.014 0.000 0.993 131 L CA -1.104 53.739 54.840 0.006 0.000 0.819 131 L CB 2.621 44.692 42.059 0.021 0.000 1.294 131 L HN 0.292 nan 8.230 nan 0.000 0.414 132 K N 2.087 122.499 120.400 0.020 0.000 2.382 132 K HA 0.464 4.784 4.320 -0.000 0.000 0.275 132 K C 0.132 176.747 176.600 0.024 0.000 1.009 132 K CA -0.178 56.126 56.287 0.029 0.000 0.970 132 K CB 0.960 33.484 32.500 0.039 0.000 0.934 132 K HN 0.684 nan 8.250 nan 0.000 0.479 133 A N 5.383 128.217 122.820 0.023 0.000 2.520 133 A HA 0.186 4.506 4.320 -0.000 0.000 0.235 133 A C -2.090 175.490 177.584 -0.006 0.000 1.065 133 A CA -0.984 51.059 52.037 0.011 0.000 0.764 133 A CB -0.565 18.442 19.000 0.012 0.000 1.002 133 A HN 0.655 nan 8.150 nan 0.000 0.502 134 P HA 0.178 nan 4.420 nan 0.000 0.265 134 P C 0.785 178.040 177.300 -0.074 0.000 1.187 134 P CA 0.747 63.798 63.100 -0.083 0.000 0.766 134 P CB 0.484 32.101 31.700 -0.140 0.000 0.820 135 G N 1.515 110.266 108.800 -0.082 0.000 2.485 135 G HA2 0.106 4.066 3.960 -0.000 0.000 0.260 135 G HA3 0.106 4.066 3.960 -0.000 0.000 0.260 135 G C 1.093 175.948 174.900 -0.075 0.000 1.459 135 G CA -0.546 44.520 45.100 -0.056 0.000 1.060 135 G HN 0.411 nan 8.290 nan 0.000 0.546 136 I N -0.092 120.448 120.570 -0.050 0.000 2.142 136 I HA -0.134 4.036 4.170 -0.000 0.000 0.240 136 I C 2.644 178.720 176.117 -0.068 0.000 1.078 136 I CA 0.690 61.963 61.300 -0.045 0.000 1.343 136 I CB -0.148 37.841 38.000 -0.019 0.000 1.046 136 I HN 0.231 nan 8.210 nan 0.000 0.405 137 I N 0.977 121.507 120.570 -0.065 0.000 2.208 137 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 137 I C -0.293 175.739 176.117 -0.143 0.000 1.097 137 I CA 1.849 63.117 61.300 -0.054 0.000 1.363 137 I CB -2.759 35.246 38.000 0.009 0.000 1.051 137 I HN 0.185 nan 8.210 nan 0.000 0.413 138 P HA -0.044 nan 4.420 nan 0.000 0.234 138 P C 0.370 177.407 177.300 -0.439 0.000 1.167 138 P CA 0.881 63.449 63.100 -0.887 0.000 0.763 138 P CB 0.071 30.888 31.700 -1.472 0.000 0.835 139 R N -0.547 119.821 120.500 -0.221 0.000 2.607 139 R HA 0.690 5.029 4.340 -0.000 0.000 0.261 139 R C -0.380 175.891 176.300 -0.048 0.000 1.051 139 R CA -0.863 55.169 56.100 -0.113 0.000 1.110 139 R CB 0.945 31.195 30.300 -0.085 0.000 1.158 139 R HN -0.075 nan 8.270 nan 0.000 0.543 140 I N -0.887 119.670 120.570 -0.021 0.000 3.006 140 I HA 0.183 4.353 4.170 -0.000 0.000 0.306 140 I C -0.733 175.384 176.117 -0.001 0.000 1.250 140 I CA -0.231 61.068 61.300 -0.002 0.000 0.996 140 I CB 2.566 40.575 38.000 0.014 0.000 1.261 140 I HN 0.520 nan 8.210 nan 0.000 0.442 141 S N 2.954 118.654 115.700 0.001 0.000 2.558 141 S HA 0.198 4.668 4.470 -0.000 0.000 0.288 141 S C -0.349 174.251 174.600 -0.000 0.000 1.318 141 S CA -0.555 57.645 58.200 -0.000 0.000 1.056 141 S CB 0.424 63.624 63.200 0.000 0.000 0.853 141 S HN 0.398 nan 8.310 nan 0.000 0.505 142 V N 4.817 124.730 119.914 -0.002 0.000 2.493 142 V HA 0.064 4.184 4.120 -0.000 0.000 0.292 142 V C 1.425 177.511 176.094 -0.012 0.000 1.016 142 V CA 0.743 63.040 62.300 -0.006 0.000 1.097 142 V CB -0.269 31.551 31.823 -0.006 0.000 0.947 142 V HN 1.005 nan 8.190 nan 0.000 0.479 143 R N 2.248 122.736 120.500 -0.021 0.000 2.580 143 R HA 0.306 4.646 4.340 -0.000 0.000 0.285 143 R C -0.056 176.216 176.300 -0.046 0.000 0.947 143 R CA -0.467 55.617 56.100 -0.026 0.000 1.102 143 R CB 0.616 30.906 30.300 -0.017 0.000 1.696 143 R HN 0.601 nan 8.270 nan 0.000 0.506 144 E N 3.162 123.321 120.200 -0.068 0.000 2.175 144 E HA 0.364 4.714 4.350 -0.000 0.000 0.278 144 E C -2.611 173.915 176.600 -0.123 0.000 0.969 144 E CA -2.538 53.794 56.400 -0.113 0.000 0.796 144 E CB 1.762 31.360 29.700 -0.171 0.000 1.104 144 E HN -0.038 nan 8.360 nan 0.000 0.395 145 P HA -0.036 nan 4.420 nan 0.000 0.266 145 P C -0.659 176.545 177.300 -0.159 0.000 1.195 145 P CA 0.087 63.118 63.100 -0.116 0.000 0.768 145 P CB 0.429 32.068 31.700 -0.103 0.000 0.838 146 M N 3.590 123.124 119.600 -0.110 0.000 2.065 146 M HA 0.144 4.624 4.480 -0.000 0.000 0.332 146 M C -0.724 175.546 176.300 -0.049 0.000 0.988 146 M CA -0.533 54.704 55.300 -0.106 0.000 0.944 146 M CB 0.345 32.901 32.600 -0.073 0.000 1.357 146 M HN 0.303 nan 8.290 nan 0.000 0.388 147 Q N 2.261 122.041 119.800 -0.033 0.000 2.286 147 Q HA 0.150 4.490 4.340 -0.000 0.000 0.267 147 Q C 1.291 177.334 176.000 0.072 0.000 1.028 147 Q CA 0.223 56.054 55.803 0.047 0.000 0.901 147 Q CB 0.732 29.551 28.738 0.135 0.000 1.183 147 Q HN 0.749 nan 8.270 nan 0.000 0.392 148 T N -1.426 113.156 114.554 0.047 0.000 3.014 148 T HA 0.099 4.449 4.350 -0.000 0.000 0.263 148 T C 1.265 175.990 174.700 0.042 0.000 1.078 148 T CA 0.607 62.733 62.100 0.043 0.000 1.135 148 T CB 0.070 68.954 68.868 0.027 0.000 0.895 148 T HN 0.825 nan 8.240 nan 0.000 0.480 149 G N 1.450 110.275 108.800 0.042 0.000 2.162 149 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.260 149 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.260 149 G C 0.015 174.923 174.900 0.012 0.000 0.976 149 G CA 0.188 45.303 45.100 0.025 0.000 0.655 149 G HN 0.671 nan 8.290 nan 0.000 0.533 150 I N 0.693 121.271 120.570 0.013 0.000 2.307 150 I HA 0.264 4.434 4.170 -0.000 0.000 0.289 150 I C 1.561 177.683 176.117 0.008 0.000 1.021 150 I CA -0.789 60.513 61.300 0.004 0.000 1.224 150 I CB 1.337 39.337 38.000 0.000 0.000 1.376 150 I HN -0.020 nan 8.210 nan 0.000 0.470 151 K N 4.184 124.588 120.400 0.007 0.000 2.059 151 K HA -0.254 4.066 4.320 -0.000 0.000 0.212 151 K C 2.076 178.682 176.600 0.010 0.000 1.050 151 K CA 2.014 58.308 56.287 0.011 0.000 0.927 151 K CB -0.152 32.355 32.500 0.011 0.000 0.714 151 K HN 0.805 nan 8.250 nan 0.000 0.447 152 A N 0.785 123.610 122.820 0.007 0.000 1.933 152 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 152 A C 2.371 179.964 177.584 0.015 0.000 1.175 152 A CA 1.469 53.512 52.037 0.010 0.000 0.628 152 A CB -0.515 18.490 19.000 0.008 0.000 0.814 152 A HN 0.089 nan 8.150 nan 0.000 0.444 153 V N 0.433 120.356 119.914 0.014 0.000 2.283 153 V HA -0.188 3.932 4.120 -0.000 0.000 0.243 153 V C 2.127 178.230 176.094 0.015 0.000 1.039 153 V CA 2.162 64.472 62.300 0.017 0.000 1.016 153 V CB -0.852 30.981 31.823 0.016 0.000 0.650 153 V HN 0.455 nan 8.190 nan 0.000 0.449 154 D N 0.534 120.943 120.400 0.015 0.000 2.178 154 D HA -0.125 4.515 4.640 -0.000 0.000 0.201 154 D C 2.404 178.712 176.300 0.014 0.000 0.980 154 D CA 1.785 55.793 54.000 0.014 0.000 0.842 154 D CB -0.173 40.639 40.800 0.019 0.000 0.948 154 D HN 0.608 nan 8.370 nan 0.000 0.472 155 S N -0.635 115.073 115.700 0.015 0.000 2.387 155 S HA 0.051 4.521 4.470 -0.000 0.000 0.221 155 S C 2.064 176.671 174.600 0.013 0.000 1.041 155 S CA 0.228 58.437 58.200 0.014 0.000 0.959 155 S CB -0.318 62.890 63.200 0.014 0.000 0.843 155 S HN 0.191 nan 8.310 nan 0.000 0.488 156 L N 1.303 122.535 121.223 0.015 0.000 2.286 156 L HA 0.307 4.647 4.340 -0.000 0.000 0.203 156 L C 0.650 177.532 176.870 0.020 0.000 1.068 156 L CA 0.341 55.192 54.840 0.018 0.000 0.811 156 L CB 0.171 42.244 42.059 0.024 0.000 0.989 156 L HN 0.378 nan 8.230 nan 0.000 0.467 157 V N -2.588 117.339 119.914 0.021 0.000 2.468 157 V HA 0.406 4.526 4.120 -0.000 0.000 0.256 157 V C -2.663 173.440 176.094 0.016 0.000 0.998 157 V CA -1.833 60.480 62.300 0.022 0.000 1.114 157 V CB -0.169 31.672 31.823 0.030 0.000 1.378 157 V HN -0.071 nan 8.190 nan 0.000 0.573 158 P HA 0.343 nan 4.420 nan 0.000 0.269 158 P C -0.326 176.975 177.300 0.001 0.000 1.209 158 P CA 0.319 63.422 63.100 0.005 0.000 0.776 158 P CB 1.553 33.254 31.700 0.001 0.000 0.876 159 I N 1.562 122.130 120.570 -0.004 0.000 2.404 159 I HA 0.476 4.646 4.170 -0.000 0.000 0.293 159 I C 1.064 177.167 176.117 -0.024 0.000 0.992 159 I CA -0.467 60.827 61.300 -0.009 0.000 1.149 159 I CB 1.913 39.910 38.000 -0.005 0.000 1.315 159 I HN 0.328 nan 8.210 nan 0.000 0.446 160 G N 4.467 113.252 108.800 -0.025 0.000 2.509 160 G HA2 0.567 4.527 3.960 -0.000 0.000 0.328 160 G HA3 0.567 4.527 3.960 -0.000 0.000 0.328 160 G C -0.577 174.298 174.900 -0.042 0.000 1.194 160 G CA -0.843 44.232 45.100 -0.041 0.000 0.967 160 G HN 0.518 nan 8.290 nan 0.000 0.488 161 R N -0.325 120.136 120.500 -0.064 0.000 2.370 161 R HA 0.425 4.765 4.340 -0.000 0.000 0.309 161 R C 1.158 177.460 176.300 0.003 0.000 1.059 161 R CA 1.336 57.407 56.100 -0.048 0.000 0.981 161 R CB 0.769 30.998 30.300 -0.118 0.000 0.972 161 R HN 1.067 nan 8.270 nan 0.000 0.437 162 G N 1.754 110.567 108.800 0.022 0.000 2.179 162 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 162 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 162 G C 0.135 175.045 174.900 0.016 0.000 0.990 162 G CA -0.257 44.860 45.100 0.028 0.000 0.646 162 G HN 0.564 nan 8.290 nan 0.000 0.517 163 Q N 0.006 119.811 119.800 0.007 0.000 2.312 163 Q HA 0.659 4.999 4.340 -0.000 0.000 0.236 163 Q C -0.069 175.938 176.000 0.011 0.000 0.965 163 Q CA -0.505 55.302 55.803 0.007 0.000 0.894 163 Q CB 0.448 29.186 28.738 0.001 0.000 1.225 163 Q HN 0.297 nan 8.270 nan 0.000 0.478 164 R N 1.886 122.394 120.500 0.014 0.000 2.343 164 R HA 0.316 4.656 4.340 -0.000 0.000 0.320 164 R C -1.347 174.961 176.300 0.014 0.000 0.956 164 R CA -0.413 55.697 56.100 0.017 0.000 0.836 164 R CB 1.602 31.913 30.300 0.020 0.000 1.151 164 R HN 0.512 nan 8.270 nan 0.000 0.450 165 E N 2.888 123.096 120.200 0.013 0.000 2.255 165 E HA 0.243 4.593 4.350 -0.000 0.000 0.256 165 E C -1.324 175.286 176.600 0.017 0.000 0.887 165 E CA -0.912 55.497 56.400 0.015 0.000 0.782 165 E CB 0.960 30.669 29.700 0.015 0.000 1.214 165 E HN 0.358 nan 8.360 nan 0.000 0.417 166 L N 5.504 126.738 121.223 0.018 0.000 2.453 166 L HA 0.364 4.704 4.340 -0.000 0.000 0.272 166 L C -1.005 175.885 176.870 0.034 0.000 1.182 166 L CA 0.445 55.295 54.840 0.017 0.000 0.858 166 L CB 0.492 42.557 42.059 0.009 0.000 1.120 166 L HN 0.597 nan 8.230 nan 0.000 0.474 167 I N 6.917 127.506 120.570 0.031 0.000 2.321 167 I HA 0.426 4.596 4.170 -0.000 0.000 0.291 167 I C -0.203 175.945 176.117 0.053 0.000 0.998 167 I CA -0.118 61.207 61.300 0.042 0.000 1.227 167 I CB 1.213 39.231 38.000 0.029 0.000 1.368 167 I HN 0.582 nan 8.210 nan 0.000 0.466 168 I N 5.119 125.747 120.570 0.096 0.000 2.802 168 I HA 0.908 5.078 4.170 -0.000 0.000 0.298 168 I C -0.416 175.805 176.117 0.174 0.000 1.176 168 I CA -0.031 61.356 61.300 0.145 0.000 1.025 168 I CB 2.166 40.273 38.000 0.178 0.000 1.243 168 I HN 0.709 nan 8.210 nan 0.000 0.424 169 G N 4.678 113.561 108.800 0.137 0.000 2.336 169 G HA2 0.137 4.097 3.960 -0.000 0.000 0.300 169 G HA3 0.137 4.097 3.960 -0.000 0.000 0.300 169 G C -1.921 172.993 174.900 0.024 0.000 1.375 169 G CA -0.857 44.265 45.100 0.037 0.000 0.885 169 G HN 0.544 nan 8.290 nan 0.000 0.599 170 D N 0.391 120.786 120.400 -0.008 0.000 2.354 170 D HA 0.306 4.946 4.640 -0.000 0.000 0.238 170 D C 1.362 177.634 176.300 -0.045 0.000 1.250 170 D CA 0.076 54.074 54.000 -0.002 0.000 0.911 170 D CB 0.363 41.161 40.800 -0.003 0.000 1.163 170 D HN 0.705 nan 8.370 nan 0.000 0.456 171 R N 0.646 121.130 120.500 -0.026 0.000 2.638 171 R HA -0.054 4.286 4.340 -0.000 0.000 0.268 171 R C -0.068 176.163 176.300 -0.115 0.000 1.006 171 R CA -0.101 55.972 56.100 -0.044 0.000 1.088 171 R CB -0.022 30.270 30.300 -0.012 0.000 0.950 171 R HN 0.238 nan 8.270 nan 0.000 0.419 172 Q N -0.068 119.646 119.800 -0.144 0.000 2.475 172 Q HA -0.157 4.183 4.340 -0.000 0.000 0.280 172 Q C 0.244 175.905 176.000 -0.563 0.000 1.234 172 Q CA 1.770 57.419 55.803 -0.257 0.000 0.873 172 Q CB -1.751 26.882 28.738 -0.176 0.000 1.256 172 Q HN 1.008 nan 8.270 nan 0.000 0.475 173 T N -5.071 109.202 114.554 -0.469 0.000 3.069 173 T HA 0.432 4.782 4.350 -0.000 0.000 0.252 173 T C 1.170 175.627 174.700 -0.406 0.000 1.053 173 T CA 0.726 62.461 62.100 -0.609 0.000 0.964 173 T CB 1.003 69.666 68.868 -0.342 0.000 1.005 173 T HN 0.820 nan 8.240 nan 0.000 0.532 174 G N 1.742 110.386 108.800 -0.260 0.000 2.135 174 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.183 174 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.183 174 G C 0.690 175.566 174.900 -0.039 0.000 1.004 174 G CA 0.177 45.236 45.100 -0.069 0.000 0.677 174 G HN 0.483 nan 8.290 nan 0.000 0.512 175 K N -0.391 119.980 120.400 -0.049 0.000 2.001 175 K HA -0.045 4.275 4.320 -0.000 0.000 0.208 175 K C 2.574 179.189 176.600 0.026 0.000 1.048 175 K CA 1.810 58.091 56.287 -0.011 0.000 0.932 175 K CB -0.369 32.126 32.500 -0.008 0.000 0.715 175 K HN 0.281 nan 8.250 nan 0.000 0.437 176 T N 1.270 115.850 114.554 0.043 0.000 2.720 176 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 176 T C 2.092 176.829 174.700 0.061 0.000 1.037 176 T CA 1.610 63.764 62.100 0.091 0.000 1.144 176 T CB -0.236 68.695 68.868 0.105 0.000 0.864 176 T HN 0.156 nan 8.240 nan 0.000 0.444 177 S N 1.031 116.747 115.700 0.026 0.000 2.400 177 S HA -0.068 4.402 4.470 -0.000 0.000 0.232 177 S C 2.001 176.595 174.600 -0.010 0.000 1.025 177 S CA 0.734 58.931 58.200 -0.005 0.000 0.993 177 S CB -0.368 62.805 63.200 -0.045 0.000 0.808 177 S HN 0.365 nan 8.310 nan 0.000 0.478 178 I N 1.805 122.377 120.570 0.005 0.000 2.179 178 I HA -0.167 4.003 4.170 -0.000 0.000 0.242 178 I C 2.714 178.849 176.117 0.030 0.000 1.088 178 I CA 1.379 62.685 61.300 0.010 0.000 1.357 178 I CB -1.737 36.272 38.000 0.014 0.000 1.051 178 I HN 0.254 nan 8.210 nan 0.000 0.409 179 A N 1.166 124.018 122.820 0.054 0.000 1.898 179 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 179 A C 2.213 179.840 177.584 0.072 0.000 1.181 179 A CA 1.150 53.237 52.037 0.082 0.000 0.620 179 A CB -0.502 18.588 19.000 0.150 0.000 0.819 179 A HN 0.245 nan 8.150 nan 0.000 0.442 180 I N 0.778 121.377 120.570 0.048 0.000 2.142 180 I HA -0.206 3.964 4.170 -0.000 0.000 0.240 180 I C 1.870 178.024 176.117 0.060 0.000 1.078 180 I CA 1.654 62.971 61.300 0.029 0.000 1.343 180 I CB -1.703 36.325 38.000 0.046 0.000 1.046 180 I HN 0.253 nan 8.210 nan 0.000 0.405 181 D N 0.508 120.940 120.400 0.052 0.000 2.149 181 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 181 D C 2.209 178.540 176.300 0.052 0.000 0.990 181 D CA 1.527 55.556 54.000 0.047 0.000 0.839 181 D CB -0.232 40.565 40.800 -0.005 0.000 0.948 181 D HN 0.280 nan 8.370 nan 0.000 0.460 182 T N 0.601 115.185 114.554 0.050 0.000 2.708 182 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 182 T C 2.184 176.935 174.700 0.085 0.000 1.037 182 T CA 0.629 62.764 62.100 0.059 0.000 1.146 182 T CB -0.197 68.700 68.868 0.049 0.000 0.865 182 T HN 0.174 nan 8.240 nan 0.000 0.435 183 I N 0.610 121.238 120.570 0.097 0.000 2.179 183 I HA -0.145 4.025 4.170 -0.000 0.000 0.242 183 I C 2.264 178.507 176.117 0.209 0.000 1.088 183 I CA 1.412 62.804 61.300 0.153 0.000 1.357 183 I CB -0.418 37.642 38.000 0.100 0.000 1.051 183 I HN 0.204 nan 8.210 nan 0.000 0.409 184 I N 0.834 121.483 120.570 0.131 0.000 2.335 184 I HA -0.311 3.859 4.170 -0.000 0.000 0.251 184 I C 2.224 178.400 176.117 0.099 0.000 1.129 184 I CA 1.331 62.706 61.300 0.125 0.000 1.402 184 I CB -0.532 37.520 38.000 0.088 0.000 1.069 184 I HN 0.327 nan 8.210 nan 0.000 0.424 185 N N 0.634 119.372 118.700 0.064 0.000 2.223 185 N HA -0.203 4.537 4.740 -0.000 0.000 0.185 185 N C 1.799 177.259 175.510 -0.084 0.000 1.016 185 N CA 1.173 54.220 53.050 -0.004 0.000 0.863 185 N CB 0.045 38.553 38.487 0.035 0.000 0.983 185 N HN 0.233 nan 8.380 nan 0.000 0.429 186 Q N 0.399 120.196 119.800 -0.005 0.000 2.364 186 Q HA -0.093 4.247 4.340 -0.000 0.000 0.207 186 Q C 1.665 177.442 176.000 -0.371 0.000 0.970 186 Q CA 0.576 56.326 55.803 -0.088 0.000 0.888 186 Q CB -0.244 28.397 28.738 -0.161 0.000 0.951 186 Q HN 0.515 nan 8.270 nan 0.000 0.469 187 K N 1.293 121.545 120.400 -0.246 0.000 2.089 187 K HA -0.207 4.113 4.320 -0.000 0.000 0.210 187 K C 2.088 178.530 176.600 -0.264 0.000 1.048 187 K CA 1.315 57.504 56.287 -0.163 0.000 0.926 187 K CB -0.012 32.525 32.500 0.062 0.000 0.714 187 K HN 0.043 nan 8.250 nan 0.000 0.448 188 R N -0.511 119.735 120.500 -0.423 0.000 2.105 188 R HA -0.160 4.180 4.340 -0.000 0.000 0.239 188 R C 2.020 178.019 176.300 -0.502 0.000 1.135 188 R CA 2.075 57.857 56.100 -0.531 0.000 0.967 188 R CB -0.192 29.634 30.300 -0.790 0.000 0.861 188 R HN 0.238 nan 8.270 nan 0.000 0.442 189 F N -0.369 119.482 119.950 -0.165 0.000 2.317 189 F HA 0.072 4.599 4.527 -0.000 0.000 0.293 189 F C 2.012 177.686 175.800 -0.211 0.000 1.085 189 F CA 0.008 57.904 58.000 -0.174 0.000 1.390 189 F CB -0.254 38.629 39.000 -0.195 0.000 1.077 189 F HN -0.034 nan 8.300 nan 0.000 0.517 190 N N 0.338 118.941 118.700 -0.162 0.000 2.381 190 N HA -0.129 4.611 4.740 -0.000 0.000 0.182 190 N C 1.006 176.447 175.510 -0.116 0.000 1.025 190 N CA 1.054 53.948 53.050 -0.259 0.000 0.888 190 N CB -0.482 37.637 38.487 -0.613 0.000 0.965 190 N HN 0.229 nan 8.380 nan 0.000 0.438 191 D N 0.055 120.404 120.400 -0.086 0.000 2.348 191 D HA 0.012 4.652 4.640 -0.000 0.000 0.216 191 D C 1.228 177.518 176.300 -0.017 0.000 0.970 191 D CA 0.391 54.371 54.000 -0.033 0.000 0.889 191 D CB -0.201 40.576 40.800 -0.039 0.000 0.912 191 D HN 0.173 nan 8.370 nan 0.000 0.524 192 G N -0.203 108.587 108.800 -0.016 0.000 2.563 192 G HA2 0.276 4.236 3.960 -0.000 0.000 0.283 192 G HA3 0.276 4.236 3.960 -0.000 0.000 0.283 192 G C 0.936 175.846 174.900 0.015 0.000 1.309 192 G CA 0.262 45.364 45.100 0.004 0.000 1.022 192 G HN 0.157 nan 8.290 nan 0.000 0.501 193 T N -3.090 111.477 114.554 0.021 0.000 3.044 193 T HA 0.129 4.479 4.350 -0.000 0.000 0.260 193 T C 0.199 174.919 174.700 0.033 0.000 1.019 193 T CA 0.088 62.206 62.100 0.030 0.000 0.921 193 T CB 0.371 69.254 68.868 0.026 0.000 1.053 193 T HN 0.306 nan 8.240 nan 0.000 0.533 194 D N 1.772 122.189 120.400 0.028 0.000 2.393 194 D HA 0.245 4.885 4.640 -0.000 0.000 0.232 194 D C 0.684 177.003 176.300 0.032 0.000 1.192 194 D CA -0.245 53.771 54.000 0.028 0.000 0.882 194 D CB 1.320 42.131 40.800 0.018 0.000 1.038 194 D HN 0.149 nan 8.370 nan 0.000 0.499 195 E N 2.052 122.285 120.200 0.055 0.000 2.347 195 E HA -0.050 4.300 4.350 -0.000 0.000 0.196 195 E C 1.484 178.149 176.600 0.108 0.000 1.008 195 E CA 0.586 57.039 56.400 0.088 0.000 0.852 195 E CB 0.220 29.990 29.700 0.117 0.000 0.783 195 E HN 0.405 nan 8.360 nan 0.000 0.505 196 K N 0.194 120.644 120.400 0.083 0.000 2.211 196 K HA -0.053 4.267 4.320 -0.000 0.000 0.203 196 K C 1.689 178.293 176.600 0.007 0.000 1.050 196 K CA 0.833 57.188 56.287 0.114 0.000 0.945 196 K CB 0.135 32.671 32.500 0.060 0.000 0.732 196 K HN -0.075 nan 8.250 nan 0.000 0.451 197 K N 0.525 120.882 120.400 -0.072 0.000 2.353 197 K HA 0.061 4.381 4.320 -0.000 0.000 0.195 197 K C -0.171 176.272 176.600 -0.262 0.000 1.031 197 K CA -0.001 56.144 56.287 -0.238 0.000 1.079 197 K CB 0.529 32.905 32.500 -0.207 0.000 0.857 197 K HN -0.052 nan 8.250 nan 0.000 0.535 198 K N 0.915 121.240 120.400 -0.125 0.000 2.276 198 K HA 0.119 4.439 4.320 -0.000 0.000 0.259 198 K C -0.743 175.706 176.600 -0.251 0.000 1.001 198 K CA -0.138 56.022 56.287 -0.212 0.000 0.927 198 K CB 0.698 33.038 32.500 -0.267 0.000 0.969 198 K HN -0.113 nan 8.250 nan 0.000 0.490 199 L N 2.904 123.887 121.223 -0.401 0.000 2.541 199 L HA 0.279 4.619 4.340 -0.000 0.000 0.266 199 L C -1.742 174.883 176.870 -0.409 0.000 0.966 199 L CA -0.342 54.325 54.840 -0.287 0.000 0.871 199 L CB 0.912 42.869 42.059 -0.170 0.000 1.232 199 L HN 0.449 nan 8.230 nan 0.000 0.408 200 Y N 3.228 123.403 120.300 -0.207 0.000 2.304 200 Y HA 0.513 5.063 4.550 -0.000 0.000 0.328 200 Y C 0.420 176.207 175.900 -0.188 0.000 1.123 200 Y CA -0.110 57.828 58.100 -0.269 0.000 1.218 200 Y CB 1.155 39.148 38.460 -0.777 0.000 1.207 200 Y HN 0.503 nan 8.280 nan 0.000 0.495 201 C N 4.586 123.961 119.300 0.126 0.000 2.435 201 C HA 0.708 5.168 4.460 -0.000 0.000 0.333 201 C C -0.143 174.897 174.990 0.084 0.000 1.202 201 C CA -1.103 57.978 59.018 0.105 0.000 1.830 201 C CB 0.210 28.059 27.740 0.182 0.000 2.326 201 C HN 0.650 nan 8.230 nan 0.000 0.507 202 I N 2.276 122.881 120.570 0.057 0.000 2.478 202 I HA 0.262 4.432 4.170 -0.000 0.000 0.287 202 I C -1.185 174.961 176.117 0.048 0.000 1.042 202 I CA -0.446 60.888 61.300 0.057 0.000 1.067 202 I CB 1.186 39.207 38.000 0.035 0.000 1.233 202 I HN 0.619 nan 8.210 nan 0.000 0.431 203 Y N 7.138 127.416 120.300 -0.038 0.000 2.369 203 Y HA 0.578 5.128 4.550 -0.000 0.000 0.337 203 Y C -0.766 175.119 175.900 -0.026 0.000 0.961 203 Y CA -0.717 57.356 58.100 -0.046 0.000 1.186 203 Y CB 1.207 39.652 38.460 -0.026 0.000 1.139 203 Y HN 0.264 nan 8.280 nan 0.000 0.494 204 V N 6.457 126.109 119.914 -0.436 0.000 2.364 204 V HA 0.604 4.724 4.120 -0.000 0.000 0.272 204 V C 0.163 175.994 176.094 -0.438 0.000 1.036 204 V CA -0.676 61.459 62.300 -0.275 0.000 0.880 204 V CB 0.642 32.422 31.823 -0.072 0.000 0.991 204 V HN 0.920 nan 8.190 nan 0.000 0.460 205 A N 6.720 129.414 122.820 -0.210 0.000 2.276 205 A HA 0.829 5.149 4.320 -0.000 0.000 0.300 205 A C -0.586 176.986 177.584 -0.020 0.000 1.235 205 A CA -0.267 51.716 52.037 -0.089 0.000 0.867 205 A CB 0.006 19.074 19.000 0.113 0.000 1.137 205 A HN 0.755 nan 8.150 nan 0.000 0.527 206 I N 2.064 122.626 120.570 -0.014 0.000 2.410 206 I HA 0.562 4.732 4.170 -0.000 0.000 0.286 206 I C 1.047 177.192 176.117 0.046 0.000 1.009 206 I CA 0.525 61.840 61.300 0.024 0.000 1.111 206 I CB 1.758 39.769 38.000 0.017 0.000 1.262 206 I HN 0.993 nan 8.210 nan 0.000 0.443 207 G N 3.579 112.416 108.800 0.061 0.000 2.179 207 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 207 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 207 G C 0.299 175.235 174.900 0.061 0.000 0.977 207 G CA -0.247 44.892 45.100 0.065 0.000 0.641 207 G HN 0.572 nan 8.290 nan 0.000 0.533 208 Q N 0.228 120.066 119.800 0.062 0.000 2.396 208 Q HA 0.456 4.796 4.340 -0.000 0.000 0.221 208 Q C 0.702 176.738 176.000 0.060 0.000 1.025 208 Q CA 0.040 55.883 55.803 0.066 0.000 0.946 208 Q CB 0.574 29.363 28.738 0.086 0.000 1.224 208 Q HN 0.637 nan 8.270 nan 0.000 0.539 209 K N 0.187 120.620 120.400 0.055 0.000 2.185 209 K HA 0.240 4.560 4.320 -0.000 0.000 0.271 209 K C 0.397 177.026 176.600 0.049 0.000 1.013 209 K CA -0.522 55.794 56.287 0.048 0.000 0.943 209 K CB 1.190 33.714 32.500 0.040 0.000 0.998 209 K HN 0.410 nan 8.250 nan 0.000 0.468 210 R N 0.781 121.307 120.500 0.043 0.000 2.103 210 R HA -0.188 4.152 4.340 -0.000 0.000 0.242 210 R C 2.259 178.580 176.300 0.034 0.000 1.142 210 R CA 2.241 58.366 56.100 0.041 0.000 0.960 210 R CB -0.434 29.887 30.300 0.034 0.000 0.858 210 R HN 0.947 nan 8.270 nan 0.000 0.439 211 S N -0.370 115.347 115.700 0.029 0.000 2.399 211 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 211 S C 1.917 176.530 174.600 0.022 0.000 1.022 211 S CA 1.628 59.841 58.200 0.022 0.000 0.983 211 S CB -0.382 62.830 63.200 0.019 0.000 0.803 211 S HN 0.198 nan 8.310 nan 0.000 0.480 212 T N 2.493 117.066 114.554 0.032 0.000 2.737 212 T HA -0.016 4.334 4.350 -0.000 0.000 0.265 212 T C 1.927 176.648 174.700 0.035 0.000 1.038 212 T CA 1.504 63.626 62.100 0.036 0.000 1.144 212 T CB -0.602 68.297 68.868 0.051 0.000 0.866 212 T HN 0.316 nan 8.240 nan 0.000 0.434 213 V N 1.872 121.819 119.914 0.054 0.000 2.392 213 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 213 V C 2.865 178.968 176.094 0.016 0.000 1.059 213 V CA 1.662 63.998 62.300 0.060 0.000 1.051 213 V CB -1.263 30.615 31.823 0.091 0.000 0.658 213 V HN 0.522 nan 8.190 nan 0.000 0.455 214 A N -0.560 122.267 122.820 0.012 0.000 1.930 214 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 214 A C 2.190 179.760 177.584 -0.023 0.000 1.175 214 A CA 1.977 54.011 52.037 -0.004 0.000 0.627 214 A CB -0.496 18.505 19.000 0.001 0.000 0.815 214 A HN 0.507 nan 8.150 nan 0.000 0.443 215 Q N -0.736 119.052 119.800 -0.019 0.000 2.119 215 Q HA -0.086 4.254 4.340 -0.000 0.000 0.201 215 Q C 1.912 177.876 176.000 -0.059 0.000 0.972 215 Q CA 1.112 56.896 55.803 -0.032 0.000 0.847 215 Q CB -0.321 28.409 28.738 -0.014 0.000 0.903 215 Q HN 0.510 nan 8.270 nan 0.000 0.433 216 L N -0.394 120.788 121.223 -0.070 0.000 2.017 216 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 216 L C 2.003 178.783 176.870 -0.151 0.000 1.073 216 L CA 1.589 56.349 54.840 -0.134 0.000 0.745 216 L CB -1.074 40.870 42.059 -0.193 0.000 0.894 216 L HN 0.169 nan 8.230 nan 0.000 0.432 217 V N 0.411 120.258 119.914 -0.110 0.000 2.343 217 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 217 V C 2.653 178.691 176.094 -0.094 0.000 1.051 217 V CA 1.870 64.111 62.300 -0.097 0.000 1.036 217 V CB -0.626 31.164 31.823 -0.055 0.000 0.654 217 V HN 0.425 nan 8.190 nan 0.000 0.451 218 K N 0.935 121.286 120.400 -0.082 0.000 2.032 218 K HA -0.241 4.079 4.320 -0.000 0.000 0.209 218 K C 2.206 178.739 176.600 -0.111 0.000 1.048 218 K CA 1.861 58.098 56.287 -0.083 0.000 0.927 218 K CB -0.362 32.096 32.500 -0.070 0.000 0.712 218 K HN 0.272 nan 8.250 nan 0.000 0.441 219 R N 0.661 121.082 120.500 -0.132 0.000 2.083 219 R HA -0.030 4.310 4.340 -0.000 0.000 0.237 219 R C 2.092 178.296 176.300 -0.160 0.000 1.137 219 R CA 1.838 57.833 56.100 -0.177 0.000 0.951 219 R CB -0.770 29.419 30.300 -0.185 0.000 0.851 219 R HN 0.352 nan 8.270 nan 0.000 0.434 220 L N -0.372 120.763 121.223 -0.148 0.000 2.083 220 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 220 L C 2.134 178.915 176.870 -0.147 0.000 1.083 220 L CA 1.827 56.577 54.840 -0.151 0.000 0.752 220 L CB -0.605 41.350 42.059 -0.173 0.000 0.899 220 L HN 0.324 nan 8.230 nan 0.000 0.433 221 T N -1.141 113.338 114.554 -0.125 0.000 2.737 221 T HA -0.151 4.199 4.350 -0.000 0.000 0.265 221 T C 1.399 176.043 174.700 -0.094 0.000 1.038 221 T CA 1.307 63.345 62.100 -0.104 0.000 1.144 221 T CB -0.190 68.629 68.868 -0.082 0.000 0.866 221 T HN 0.269 nan 8.240 nan 0.000 0.434 222 D N 1.412 121.753 120.400 -0.099 0.000 2.218 222 D HA 0.044 4.684 4.640 -0.000 0.000 0.204 222 D C 1.940 178.187 176.300 -0.088 0.000 0.976 222 D CA 0.737 54.681 54.000 -0.093 0.000 0.853 222 D CB -0.234 40.499 40.800 -0.112 0.000 0.939 222 D HN 0.423 nan 8.370 nan 0.000 0.481 223 A N 0.101 122.863 122.820 -0.097 0.000 2.251 223 A HA 0.042 4.362 4.320 -0.000 0.000 0.209 223 A C 0.559 178.111 177.584 -0.053 0.000 1.187 223 A CA 0.450 52.445 52.037 -0.069 0.000 0.823 223 A CB 0.053 19.016 19.000 -0.062 0.000 0.846 223 A HN 0.053 nan 8.150 nan 0.000 0.486 224 D N -2.952 117.403 120.400 -0.074 0.000 2.870 224 D HA -0.202 4.438 4.640 -0.000 0.000 0.228 224 D C 0.754 176.981 176.300 -0.121 0.000 1.147 224 D CA 1.046 55.005 54.000 -0.068 0.000 0.757 224 D CB -1.216 39.572 40.800 -0.020 0.000 1.091 224 D HN 0.507 nan 8.370 nan 0.000 0.429 225 A N -0.858 121.815 122.820 -0.244 0.000 2.197 225 A HA 0.145 4.465 4.320 -0.000 0.000 0.210 225 A C 2.048 179.151 177.584 -0.801 0.000 1.180 225 A CA 0.371 52.036 52.037 -0.620 0.000 0.846 225 A CB -0.005 18.796 19.000 -0.332 0.000 0.884 225 A HN 0.283 nan 8.150 nan 0.000 0.487 226 M N 1.310 120.674 119.600 -0.393 0.000 2.149 226 M HA -0.171 4.309 4.480 -0.000 0.000 0.261 226 M C 2.120 178.277 176.300 -0.238 0.000 1.064 226 M CA 1.975 57.113 55.300 -0.271 0.000 1.102 226 M CB -0.903 31.607 32.600 -0.149 0.000 1.369 226 M HN 0.700 nan 8.290 nan 0.000 0.408 227 K N 0.217 120.492 120.400 -0.209 0.000 2.211 227 K HA -0.194 4.126 4.320 -0.000 0.000 0.204 227 K C 1.017 177.652 176.600 0.058 0.000 1.047 227 K CA 1.766 58.024 56.287 -0.048 0.000 0.935 227 K CB -0.754 31.759 32.500 0.023 0.000 0.728 227 K HN 0.530 nan 8.250 nan 0.000 0.452 228 Y N -0.092 120.246 120.300 0.063 0.000 2.636 228 Y HA 0.451 5.001 4.550 -0.000 0.000 0.260 228 Y C -0.494 175.459 175.900 0.088 0.000 1.177 228 Y CA -1.033 57.130 58.100 0.104 0.000 1.209 228 Y CB 0.066 38.532 38.460 0.009 0.000 1.166 228 Y HN -0.213 nan 8.280 nan 0.000 0.531 229 T N 2.619 117.157 114.554 -0.026 0.000 2.841 229 T HA 0.578 4.928 4.350 -0.000 0.000 0.283 229 T C -0.491 174.238 174.700 0.048 0.000 1.000 229 T CA -0.440 61.666 62.100 0.009 0.000 0.977 229 T CB 1.860 70.666 68.868 -0.104 0.000 0.979 229 T HN 0.137 nan 8.240 nan 0.000 0.446 230 I N 2.541 123.165 120.570 0.089 0.000 2.336 230 I HA 0.403 4.572 4.170 -0.000 0.000 0.292 230 I C -0.354 175.818 176.117 0.093 0.000 0.991 230 I CA -0.987 60.367 61.300 0.090 0.000 1.227 230 I CB 1.475 39.546 38.000 0.119 0.000 1.366 230 I HN 0.248 nan 8.210 nan 0.000 0.466 231 V N 7.402 127.366 119.914 0.083 0.000 2.370 231 V HA 0.301 4.421 4.120 -0.000 0.000 0.279 231 V C 0.053 176.203 176.094 0.092 0.000 1.029 231 V CA -0.621 61.751 62.300 0.120 0.000 0.870 231 V CB 1.604 33.496 31.823 0.115 0.000 0.984 231 V HN 0.403 nan 8.190 nan 0.000 0.451 232 V N 4.188 124.154 119.914 0.087 0.000 2.370 232 V HA 0.507 4.627 4.120 -0.000 0.000 0.283 232 V C 0.153 176.280 176.094 0.055 0.000 1.023 232 V CA -0.110 62.224 62.300 0.057 0.000 0.857 232 V CB 1.691 33.539 31.823 0.041 0.000 0.985 232 V HN 0.837 nan 8.190 nan 0.000 0.443 233 S N 3.920 119.655 115.700 0.058 0.000 2.659 233 S HA 0.768 5.238 4.470 -0.000 0.000 0.312 233 S C -0.287 174.347 174.600 0.057 0.000 1.114 233 S CA -0.229 58.009 58.200 0.063 0.000 1.063 233 S CB 1.107 64.353 63.200 0.076 0.000 0.996 233 S HN 1.035 nan 8.310 nan 0.000 0.478 234 A N 4.301 127.156 122.820 0.058 0.000 2.431 234 A HA 0.624 4.944 4.320 -0.000 0.000 0.318 234 A C 0.458 178.084 177.584 0.069 0.000 1.330 234 A CA -0.640 51.438 52.037 0.069 0.000 0.804 234 A CB 0.062 19.110 19.000 0.081 0.000 1.135 234 A HN 0.802 nan 8.150 nan 0.000 0.483 235 T N -1.012 113.582 114.554 0.067 0.000 2.810 235 T HA 0.560 4.910 4.350 -0.000 0.000 0.277 235 T C 1.542 176.280 174.700 0.062 0.000 0.973 235 T CA 0.047 62.185 62.100 0.063 0.000 0.949 235 T CB 1.032 69.935 68.868 0.058 0.000 1.075 235 T HN 0.986 nan 8.240 nan 0.000 0.537 236 A N 0.648 123.502 122.820 0.057 0.000 2.019 236 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 236 A C 2.392 180.005 177.584 0.049 0.000 1.164 236 A CA 1.801 53.870 52.037 0.053 0.000 0.644 236 A CB -1.257 17.772 19.000 0.048 0.000 0.805 236 A HN 1.072 nan 8.150 nan 0.000 0.449 237 S N -0.678 115.049 115.700 0.046 0.000 2.575 237 S HA 0.108 4.578 4.470 -0.000 0.000 0.215 237 S C -0.217 174.411 174.600 0.047 0.000 0.966 237 S CA -0.315 57.909 58.200 0.041 0.000 0.911 237 S CB -0.222 62.998 63.200 0.034 0.000 0.780 237 S HN 0.349 nan 8.310 nan 0.000 0.514 238 D N 2.964 123.400 120.400 0.060 0.000 2.345 238 D HA 0.542 5.182 4.640 -0.000 0.000 0.247 238 D C 0.391 176.739 176.300 0.080 0.000 1.108 238 D CA 0.143 54.188 54.000 0.074 0.000 0.894 238 D CB 1.268 42.121 40.800 0.088 0.000 1.203 238 D HN 0.441 nan 8.370 nan 0.000 0.430 239 A N 1.674 124.545 122.820 0.085 0.000 2.555 239 A HA 0.320 4.640 4.320 -0.000 0.000 0.233 239 A C 1.473 179.115 177.584 0.097 0.000 1.060 239 A CA 0.451 52.531 52.037 0.072 0.000 0.759 239 A CB 0.169 19.206 19.000 0.062 0.000 0.995 239 A HN 0.641 nan 8.150 nan 0.000 0.506 240 A N 3.225 126.086 122.820 0.068 0.000 1.917 240 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 240 A C -0.128 177.551 177.584 0.159 0.000 1.182 240 A CA 2.159 54.254 52.037 0.096 0.000 0.633 240 A CB -1.709 17.322 19.000 0.051 0.000 0.819 240 A HN 0.648 nan 8.150 nan 0.000 0.448 241 P HA -0.121 nan 4.420 nan 0.000 0.218 241 P C 1.367 178.945 177.300 0.463 0.000 1.148 241 P CA 0.844 64.050 63.100 0.177 0.000 0.822 241 P CB -0.131 31.413 31.700 -0.260 0.000 0.784 242 L N -1.051 120.409 121.223 0.396 0.000 2.093 242 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 242 L C 2.613 179.633 176.870 0.250 0.000 1.085 242 L CA 1.486 56.545 54.840 0.365 0.000 0.755 242 L CB -0.896 41.325 42.059 0.271 0.000 0.904 242 L HN -0.008 nan 8.230 nan 0.000 0.435 243 Q N -1.124 118.809 119.800 0.221 0.000 2.119 243 Q HA -0.237 4.102 4.340 -0.000 0.000 0.201 243 Q C 2.109 178.233 176.000 0.206 0.000 0.972 243 Q CA 1.659 57.567 55.803 0.175 0.000 0.847 243 Q CB -0.273 28.557 28.738 0.154 0.000 0.903 243 Q HN 0.494 nan 8.270 nan 0.000 0.433 244 Y N 1.057 121.455 120.300 0.163 0.000 2.165 244 Y HA -0.248 4.302 4.550 -0.000 0.000 0.286 244 Y C 1.888 177.932 175.900 0.240 0.000 1.155 244 Y CA 1.238 59.451 58.100 0.189 0.000 1.164 244 Y CB -0.159 38.430 38.460 0.216 0.000 0.978 244 Y HN 0.073 nan 8.280 nan 0.000 0.513 245 L N 0.406 121.719 121.223 0.150 0.000 2.179 245 L HA 0.096 4.436 4.340 -0.000 0.000 0.208 245 L C 2.564 179.473 176.870 0.065 0.000 1.096 245 L CA 1.605 56.494 54.840 0.081 0.000 0.779 245 L CB -1.116 41.080 42.059 0.228 0.000 0.922 245 L HN 0.296 nan 8.230 nan 0.000 0.443 246 A N 0.477 123.326 122.820 0.049 0.000 1.903 246 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 246 A C -0.041 177.535 177.584 -0.014 0.000 1.191 246 A CA 2.247 54.300 52.037 0.026 0.000 0.638 246 A CB -2.081 16.941 19.000 0.037 0.000 0.823 246 A HN 0.396 nan 8.150 nan 0.000 0.451 247 P HA -0.158 nan 4.420 nan 0.000 0.215 247 P C 0.954 178.118 177.300 -0.227 0.000 1.153 247 P CA 1.347 64.303 63.100 -0.240 0.000 0.853 247 P CB -0.241 31.016 31.700 -0.738 0.000 0.788 248 Y N -0.375 119.826 120.300 -0.164 0.000 2.181 248 Y HA -0.153 4.397 4.550 -0.000 0.000 0.288 248 Y C 2.665 178.538 175.900 -0.046 0.000 1.146 248 Y CA 1.368 59.389 58.100 -0.133 0.000 1.164 248 Y CB -1.263 37.068 38.460 -0.214 0.000 0.982 248 Y HN -0.084 nan 8.280 nan 0.000 0.515 249 S N -0.031 115.733 115.700 0.107 0.000 2.353 249 S HA -0.206 4.264 4.470 -0.000 0.000 0.222 249 S C 2.416 177.059 174.600 0.071 0.000 1.035 249 S CA 1.335 59.572 58.200 0.063 0.000 1.025 249 S CB -1.115 62.104 63.200 0.032 0.000 0.902 249 S HN 0.673 nan 8.310 nan 0.000 0.440 250 G N 0.092 108.942 108.800 0.084 0.000 2.442 250 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 250 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 250 G C 1.722 176.697 174.900 0.124 0.000 1.141 250 G CA 1.068 46.225 45.100 0.096 0.000 0.763 250 G HN 0.584 nan 8.290 nan 0.000 0.554 251 C N 0.550 119.947 119.300 0.162 0.000 2.413 251 C HA -0.055 4.405 4.460 -0.000 0.000 0.276 251 C C 3.294 178.364 174.990 0.133 0.000 1.236 251 C CA 1.811 60.929 59.018 0.168 0.000 1.735 251 C CB -0.975 26.858 27.740 0.155 0.000 2.031 251 C HN 0.373 nan 8.230 nan 0.000 0.474 252 S N 0.353 116.118 115.700 0.109 0.000 2.382 252 S HA -0.179 4.291 4.470 -0.000 0.000 0.228 252 S C 1.734 176.390 174.600 0.094 0.000 1.027 252 S CA 2.034 60.286 58.200 0.088 0.000 0.991 252 S CB -0.382 62.853 63.200 0.059 0.000 0.823 252 S HN 0.656 nan 8.310 nan 0.000 0.469 253 M N 0.801 120.459 119.600 0.097 0.000 2.159 253 M HA -0.065 4.415 4.480 -0.000 0.000 0.263 253 M C 2.439 178.889 176.300 0.251 0.000 1.063 253 M CA 1.508 56.874 55.300 0.110 0.000 1.110 253 M CB -0.749 31.919 32.600 0.113 0.000 1.374 253 M HN 0.454 nan 8.290 nan 0.000 0.411 254 G N -0.130 108.833 108.800 0.271 0.000 2.403 254 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.216 254 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.216 254 G C 1.311 176.400 174.900 0.315 0.000 1.154 254 G CA 0.459 45.778 45.100 0.365 0.000 0.784 254 G HN 0.478 nan 8.290 nan 0.000 0.538 255 E N -0.632 119.681 120.200 0.189 0.000 2.268 255 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 255 E C 1.884 178.531 176.600 0.078 0.000 0.995 255 E CA 0.499 56.973 56.400 0.122 0.000 0.836 255 E CB -0.210 29.544 29.700 0.090 0.000 0.763 255 E HN 0.622 nan 8.360 nan 0.000 0.491 256 Y N 0.459 120.714 120.300 -0.074 0.000 2.128 256 Y HA -0.292 4.258 4.550 -0.000 0.000 0.284 256 Y C 1.609 177.349 175.900 -0.266 0.000 1.154 256 Y CA 1.708 59.666 58.100 -0.237 0.000 1.149 256 Y CB -0.341 37.857 38.460 -0.438 0.000 0.976 256 Y HN -0.045 nan 8.280 nan 0.000 0.505 257 F N 0.005 119.917 119.950 -0.062 0.000 2.128 257 F HA -0.081 4.446 4.527 -0.000 0.000 0.295 257 F C 2.785 178.486 175.800 -0.164 0.000 1.100 257 F CA 1.631 59.534 58.000 -0.160 0.000 1.260 257 F CB -0.695 38.317 39.000 0.020 0.000 1.009 257 F HN -0.121 nan 8.300 nan 0.000 0.476 258 R N 0.694 121.261 120.500 0.112 0.000 2.096 258 R HA -0.196 4.144 4.340 -0.000 0.000 0.240 258 R C 1.053 177.338 176.300 -0.024 0.000 1.139 258 R CA 2.178 58.303 56.100 0.041 0.000 0.952 258 R CB -0.419 29.922 30.300 0.067 0.000 0.854 258 R HN 0.189 nan 8.270 nan 0.000 0.436 259 D N -0.355 120.010 120.400 -0.060 0.000 2.340 259 D HA 0.012 4.652 4.640 -0.000 0.000 0.220 259 D C 0.077 176.302 176.300 -0.125 0.000 1.039 259 D CA 0.437 54.406 54.000 -0.051 0.000 0.866 259 D CB 0.164 40.948 40.800 -0.027 0.000 0.913 259 D HN 0.207 nan 8.370 nan 0.000 0.523 260 N N -0.104 118.465 118.700 -0.218 0.000 2.416 260 N HA 0.162 4.902 4.740 -0.000 0.000 0.267 260 N C 0.775 176.181 175.510 -0.172 0.000 1.294 260 N CA 0.018 52.917 53.050 -0.252 0.000 0.891 260 N CB 1.456 39.649 38.487 -0.490 0.000 1.238 260 N HN 0.052 nan 8.380 nan 0.000 0.508 261 G N 1.159 109.879 108.800 -0.134 0.000 2.179 261 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.257 261 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.257 261 G C 0.126 174.902 174.900 -0.207 0.000 1.010 261 G CA 0.666 45.685 45.100 -0.136 0.000 0.736 261 G HN 0.332 nan 8.290 nan 0.000 0.513 262 K N -1.082 119.193 120.400 -0.209 0.000 2.313 262 K HA 0.694 5.014 4.320 -0.000 0.000 0.235 262 K C -0.593 175.820 176.600 -0.312 0.000 1.035 262 K CA -0.984 55.212 56.287 -0.152 0.000 0.868 262 K CB 1.125 33.735 32.500 0.183 0.000 1.232 262 K HN 0.364 nan 8.250 nan 0.000 0.459 263 H N -0.481 118.692 119.070 0.172 0.000 2.529 263 H HA 0.566 5.122 4.556 -0.000 0.000 0.348 263 H C -1.118 174.244 175.328 0.057 0.000 1.079 263 H CA -0.757 55.341 56.048 0.083 0.000 1.198 263 H CB 1.951 31.710 29.762 -0.004 0.000 1.521 263 H HN 0.618 nan 8.280 nan 0.000 0.514 264 A N 2.699 125.603 122.820 0.140 0.000 2.380 264 A HA 0.654 4.974 4.320 -0.000 0.000 0.315 264 A C -1.479 176.125 177.584 0.034 0.000 1.101 264 A CA -0.713 51.342 52.037 0.031 0.000 0.771 264 A CB 1.222 20.264 19.000 0.071 0.000 1.287 264 A HN 0.563 nan 8.150 nan 0.000 0.436 265 L N 2.001 123.224 121.223 -0.001 0.000 2.356 265 L HA 0.809 5.149 4.340 -0.000 0.000 0.277 265 L C -1.101 175.741 176.870 -0.046 0.000 0.996 265 L CA -0.403 54.428 54.840 -0.014 0.000 0.822 265 L CB 1.310 43.366 42.059 -0.005 0.000 1.256 265 L HN 0.692 nan 8.230 nan 0.000 0.413 266 I N 5.262 125.758 120.570 -0.124 0.000 2.465 266 I HA 0.552 4.722 4.170 -0.000 0.000 0.291 266 I C -1.226 174.630 176.117 -0.436 0.000 1.014 266 I CA -0.575 60.557 61.300 -0.280 0.000 1.093 266 I CB 1.517 39.293 38.000 -0.374 0.000 1.267 266 I HN 0.645 nan 8.210 nan 0.000 0.431 267 I N 7.654 127.977 120.570 -0.412 0.000 2.378 267 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 267 I C -1.224 174.557 176.117 -0.559 0.000 0.992 267 I CA -0.241 60.833 61.300 -0.375 0.000 1.154 267 I CB 1.301 39.247 38.000 -0.090 0.000 1.315 267 I HN 0.404 nan 8.210 nan 0.000 0.448 268 Y N 4.096 124.277 120.300 -0.197 0.000 2.593 268 Y HA 0.334 4.884 4.550 -0.000 0.000 0.331 268 Y C -0.182 175.581 175.900 -0.228 0.000 0.986 268 Y CA -0.757 57.202 58.100 -0.236 0.000 1.262 268 Y CB 0.745 39.078 38.460 -0.212 0.000 1.098 268 Y HN 0.412 nan 8.280 nan 0.000 0.506 269 D N 3.759 124.045 120.400 -0.189 0.000 2.462 269 D HA 0.180 4.820 4.640 -0.000 0.000 0.249 269 D C -1.189 175.066 176.300 -0.075 0.000 1.117 269 D CA -0.326 53.592 54.000 -0.137 0.000 0.900 269 D CB 0.310 40.993 40.800 -0.196 0.000 1.039 269 D HN 0.690 nan 8.370 nan 0.000 0.516 270 D N 0.237 120.624 120.400 -0.022 0.000 2.559 270 D HA 0.230 4.870 4.640 -0.000 0.000 0.250 270 D C 0.732 177.017 176.300 -0.025 0.000 1.135 270 D CA -0.730 53.258 54.000 -0.019 0.000 0.955 270 D CB 1.020 41.819 40.800 -0.000 0.000 1.442 270 D HN 0.068 nan 8.370 nan 0.000 0.471 271 L N 0.246 121.422 121.223 -0.078 0.000 2.492 271 L HA 0.015 4.355 4.340 -0.000 0.000 0.223 271 L C 1.692 178.564 176.870 0.004 0.000 1.132 271 L CA 0.378 55.136 54.840 -0.137 0.000 0.850 271 L CB -0.321 41.440 42.059 -0.496 0.000 0.966 271 L HN 0.422 nan 8.230 nan 0.000 0.454 272 S N 0.317 116.027 115.700 0.017 0.000 2.355 272 S HA -0.159 4.311 4.470 -0.000 0.000 0.222 272 S C 1.929 176.616 174.600 0.144 0.000 1.031 272 S CA 1.284 59.537 58.200 0.088 0.000 0.993 272 S CB -0.023 63.219 63.200 0.071 0.000 0.859 272 S HN 0.391 nan 8.310 nan 0.000 0.453 273 K N 1.073 121.538 120.400 0.109 0.000 2.103 273 K HA -0.036 4.284 4.320 -0.000 0.000 0.204 273 K C 2.440 179.128 176.600 0.147 0.000 1.052 273 K CA 0.749 57.108 56.287 0.120 0.000 0.945 273 K CB -0.132 32.419 32.500 0.085 0.000 0.722 273 K HN 0.314 nan 8.250 nan 0.000 0.443 274 Q N 0.775 120.657 119.800 0.137 0.000 2.061 274 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 274 Q C 2.074 178.231 176.000 0.262 0.000 0.984 274 Q CA 1.734 57.638 55.803 0.169 0.000 0.846 274 Q CB -0.116 28.675 28.738 0.089 0.000 0.902 274 Q HN 0.341 nan 8.270 nan 0.000 0.421 275 A N -0.078 122.917 122.820 0.290 0.000 1.933 275 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 275 A C 2.204 180.054 177.584 0.442 0.000 1.175 275 A CA 1.454 53.690 52.037 0.332 0.000 0.628 275 A CB -0.597 18.530 19.000 0.212 0.000 0.814 275 A HN 0.304 nan 8.150 nan 0.000 0.444 276 V N -0.319 119.808 119.914 0.355 0.000 2.358 276 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 276 V C 3.048 179.239 176.094 0.161 0.000 1.047 276 V CA 1.809 64.251 62.300 0.236 0.000 1.035 276 V CB -1.105 30.821 31.823 0.171 0.000 0.658 276 V HN 0.620 nan 8.190 nan 0.000 0.452 277 A N -0.695 122.239 122.820 0.191 0.000 1.883 277 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 277 A C 2.190 179.894 177.584 0.200 0.000 1.186 277 A CA 2.236 54.380 52.037 0.179 0.000 0.624 277 A CB -0.836 18.292 19.000 0.213 0.000 0.822 277 A HN 0.630 nan 8.150 nan 0.000 0.444 278 Y N 0.568 120.955 120.300 0.146 0.000 2.181 278 Y HA -0.199 4.351 4.550 -0.000 0.000 0.288 278 Y C 2.474 178.393 175.900 0.031 0.000 1.146 278 Y CA 1.964 60.112 58.100 0.079 0.000 1.164 278 Y CB -0.494 38.081 38.460 0.192 0.000 0.982 278 Y HN 0.357 nan 8.280 nan 0.000 0.515 279 R N 0.335 120.824 120.500 -0.020 0.000 2.083 279 R HA -0.263 4.077 4.340 -0.000 0.000 0.237 279 R C 2.476 178.674 176.300 -0.171 0.000 1.137 279 R CA 2.029 58.038 56.100 -0.152 0.000 0.951 279 R CB -0.504 29.725 30.300 -0.119 0.000 0.851 279 R HN 0.592 nan 8.270 nan 0.000 0.434 280 Q N 0.369 120.113 119.800 -0.093 0.000 2.014 280 Q HA -0.246 4.094 4.340 -0.000 0.000 0.207 280 Q C 2.152 178.083 176.000 -0.114 0.000 0.993 280 Q CA 2.474 58.227 55.803 -0.084 0.000 0.850 280 Q CB -0.155 28.561 28.738 -0.036 0.000 0.916 280 Q HN 0.442 nan 8.270 nan 0.000 0.417 281 M N -0.110 119.416 119.600 -0.123 0.000 2.106 281 M HA -0.203 4.277 4.480 -0.000 0.000 0.259 281 M C 2.542 178.724 176.300 -0.196 0.000 1.068 281 M CA 1.777 56.984 55.300 -0.154 0.000 1.100 281 M CB -0.411 32.082 32.600 -0.178 0.000 1.351 281 M HN 0.214 nan 8.290 nan 0.000 0.404 282 S N 0.643 116.162 115.700 -0.301 0.000 2.355 282 S HA -0.052 4.418 4.470 -0.000 0.000 0.222 282 S C 1.846 176.333 174.600 -0.189 0.000 1.031 282 S CA 1.003 59.017 58.200 -0.310 0.000 0.993 282 S CB -0.270 62.604 63.200 -0.544 0.000 0.859 282 S HN 0.394 nan 8.310 nan 0.000 0.453 283 L N 0.910 122.030 121.223 -0.172 0.000 2.042 283 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 283 L C 2.354 179.169 176.870 -0.091 0.000 1.076 283 L CA 1.273 56.043 54.840 -0.116 0.000 0.749 283 L CB -0.503 41.490 42.059 -0.110 0.000 0.893 283 L HN 0.357 nan 8.230 nan 0.000 0.432 284 L N -0.814 120.353 121.223 -0.094 0.000 2.291 284 L HA -0.141 4.199 4.340 -0.000 0.000 0.214 284 L C 2.119 178.948 176.870 -0.068 0.000 1.120 284 L CA 0.499 55.295 54.840 -0.074 0.000 0.799 284 L CB -0.127 41.889 42.059 -0.072 0.000 0.925 284 L HN 0.273 nan 8.230 nan 0.000 0.446 285 L N -0.147 121.028 121.223 -0.081 0.000 2.610 285 L HA 0.030 4.370 4.340 -0.000 0.000 0.232 285 L C 0.624 177.464 176.870 -0.051 0.000 1.149 285 L CA -0.002 54.800 54.840 -0.064 0.000 0.872 285 L CB -0.118 41.895 42.059 -0.075 0.000 0.992 285 L HN 0.296 nan 8.230 nan 0.000 0.447 286 R N -0.310 120.158 120.500 -0.054 0.000 3.770 286 R HA -0.173 4.167 4.340 -0.000 0.000 0.305 286 R C -0.125 176.151 176.300 -0.040 0.000 1.184 286 R CA 0.536 56.610 56.100 -0.043 0.000 0.823 286 R CB -2.270 28.012 30.300 -0.030 0.000 1.285 286 R HN 0.413 nan 8.270 nan 0.000 0.499 287 R N 1.620 122.089 120.500 -0.053 0.000 2.316 287 R HA 0.204 4.544 4.340 -0.000 0.000 0.314 287 R C -1.989 174.285 176.300 -0.044 0.000 1.069 287 R CA -1.513 54.561 56.100 -0.043 0.000 0.959 287 R CB 0.428 30.697 30.300 -0.053 0.000 0.987 287 R HN -0.094 nan 8.270 nan 0.000 0.446 288 P HA 0.044 nan 4.420 nan 0.000 0.268 288 P C -2.198 175.091 177.300 -0.019 0.000 1.204 288 P CA -0.917 62.169 63.100 -0.023 0.000 0.768 288 P CB 0.174 31.867 31.700 -0.012 0.000 0.842 289 P HA 0.236 nan 4.420 nan 0.000 0.274 289 P C 0.118 177.426 177.300 0.013 0.000 1.246 289 P CA -0.061 63.031 63.100 -0.012 0.000 0.795 289 P CB 1.007 32.688 31.700 -0.032 0.000 1.006 290 G N 0.752 109.580 108.800 0.046 0.000 3.099 290 G HA2 0.357 4.317 3.960 -0.000 0.000 0.151 290 G HA3 0.357 4.317 3.960 -0.000 0.000 0.151 290 G C -0.508 174.418 174.900 0.043 0.000 1.265 290 G CA -0.981 44.147 45.100 0.046 0.000 0.981 290 G HN 0.423 nan 8.290 nan 0.000 0.601 291 R N 0.568 121.072 120.500 0.007 0.000 2.583 291 R HA 0.151 4.491 4.340 -0.000 0.000 0.274 291 R C -0.016 176.343 176.300 0.099 0.000 0.998 291 R CA 0.766 56.825 56.100 -0.068 0.000 1.081 291 R CB 0.078 30.136 30.300 -0.403 0.000 0.940 291 R HN 0.723 nan 8.270 nan 0.000 0.413 292 E N 1.444 121.693 120.200 0.082 0.000 2.805 292 E HA -0.356 3.994 4.350 -0.000 0.000 0.266 292 E C 0.439 177.070 176.600 0.052 0.000 1.092 292 E CA 0.474 56.969 56.400 0.159 0.000 0.781 292 E CB -0.987 28.939 29.700 0.376 0.000 1.379 292 E HN 0.876 nan 8.360 nan 0.000 0.433 293 A N -2.576 120.251 122.820 0.011 0.000 3.396 293 A HA -0.323 3.997 4.320 -0.000 0.000 0.267 293 A C 0.236 177.753 177.584 -0.111 0.000 1.139 293 A CA 1.786 53.775 52.037 -0.079 0.000 1.115 293 A CB -2.024 16.889 19.000 -0.145 0.000 1.133 293 A HN 0.449 nan 8.150 nan 0.000 0.920 294 Y N 0.243 120.588 120.300 0.075 0.000 2.379 294 Y HA 0.399 4.949 4.550 -0.000 0.000 0.337 294 Y C -1.484 174.451 175.900 0.059 0.000 1.238 294 Y CA -1.110 57.042 58.100 0.086 0.000 1.405 294 Y CB 0.080 38.653 38.460 0.188 0.000 1.310 294 Y HN 0.170 nan 8.280 nan 0.000 0.569 295 P HA -0.034 nan 4.420 nan 0.000 0.268 295 P C 0.700 178.121 177.300 0.201 0.000 1.208 295 P CA 0.463 63.615 63.100 0.086 0.000 0.777 295 P CB 0.645 32.310 31.700 -0.059 0.000 0.875 296 G N 1.825 110.718 108.800 0.154 0.000 2.485 296 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.221 296 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.221 296 G C 0.486 175.524 174.900 0.230 0.000 1.115 296 G CA 0.773 45.975 45.100 0.170 0.000 0.751 296 G HN 0.648 nan 8.290 nan 0.000 0.567 297 D N -0.007 120.558 120.400 0.275 0.000 2.755 297 D HA 0.146 4.786 4.640 -0.000 0.000 0.257 297 D C 1.465 177.978 176.300 0.354 0.000 1.291 297 D CA -0.586 53.615 54.000 0.335 0.000 0.836 297 D CB 0.244 41.258 40.800 0.357 0.000 1.059 297 D HN 0.057 nan 8.370 nan 0.000 0.486 298 V N -0.092 120.011 119.914 0.315 0.000 2.626 298 V HA -0.130 3.990 4.120 -0.000 0.000 0.252 298 V C 1.705 177.798 176.094 -0.002 0.000 1.067 298 V CA 1.204 63.605 62.300 0.167 0.000 1.081 298 V CB -0.781 31.113 31.823 0.118 0.000 0.686 298 V HN 0.290 nan 8.190 nan 0.000 0.468 299 F N 0.411 120.365 119.950 0.007 0.000 2.069 299 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 299 F C 2.165 178.006 175.800 0.068 0.000 1.113 299 F CA 2.493 60.499 58.000 0.011 0.000 1.214 299 F CB -0.816 38.222 39.000 0.063 0.000 0.978 299 F HN 0.358 nan 8.300 nan 0.000 0.474 300 Y N 0.699 120.942 120.300 -0.096 0.000 2.274 300 Y HA -0.162 4.388 4.550 -0.000 0.000 0.290 300 Y C 2.145 177.924 175.900 -0.203 0.000 1.145 300 Y CA 1.467 59.459 58.100 -0.181 0.000 1.203 300 Y CB -0.918 37.565 38.460 0.037 0.000 0.984 300 Y HN 0.258 nan 8.280 nan 0.000 0.533 301 L N 0.021 121.059 121.223 -0.308 0.000 1.997 301 L HA -0.313 4.027 4.340 -0.000 0.000 0.216 301 L C 2.185 178.840 176.870 -0.359 0.000 1.074 301 L CA 2.589 57.167 54.840 -0.437 0.000 0.763 301 L CB -0.972 40.757 42.059 -0.550 0.000 0.890 301 L HN 0.383 nan 8.230 nan 0.000 0.434 302 H N -1.756 117.117 119.070 -0.328 0.000 2.448 302 H HA -0.025 4.531 4.556 -0.000 0.000 0.292 302 H C 2.375 177.467 175.328 -0.393 0.000 1.035 302 H CA 0.834 56.663 56.048 -0.366 0.000 1.349 302 H CB 0.062 29.643 29.762 -0.302 0.000 1.425 302 H HN 0.578 nan 8.280 nan 0.000 0.539 303 S N 1.569 117.034 115.700 -0.392 0.000 2.368 303 S HA -0.195 4.275 4.470 -0.000 0.000 0.224 303 S C 2.115 176.589 174.600 -0.210 0.000 1.029 303 S CA 0.998 58.956 58.200 -0.404 0.000 0.988 303 S CB -0.186 62.553 63.200 -0.768 0.000 0.838 303 S HN 0.532 nan 8.310 nan 0.000 0.462 304 R N 0.683 121.043 120.500 -0.232 0.000 2.115 304 R HA 0.081 4.421 4.340 -0.000 0.000 0.230 304 R C 2.308 178.560 176.300 -0.079 0.000 1.111 304 R CA 1.250 57.260 56.100 -0.151 0.000 0.976 304 R CB -0.782 29.307 30.300 -0.351 0.000 0.870 304 R HN 0.462 nan 8.270 nan 0.000 0.445 305 L N 1.195 122.341 121.223 -0.129 0.000 2.023 305 L HA 0.004 4.344 4.340 -0.000 0.000 0.205 305 L C 2.122 178.898 176.870 -0.156 0.000 1.073 305 L CA 1.556 56.267 54.840 -0.215 0.000 0.745 305 L CB -0.261 41.440 42.059 -0.598 0.000 0.900 305 L HN 0.201 nan 8.230 nan 0.000 0.435 306 L N -0.644 120.485 121.223 -0.156 0.000 2.217 306 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 306 L C 2.464 179.322 176.870 -0.021 0.000 1.107 306 L CA 0.515 55.314 54.840 -0.068 0.000 0.783 306 L CB -0.585 41.424 42.059 -0.084 0.000 0.919 306 L HN 0.300 nan 8.230 nan 0.000 0.442 307 E N 0.511 120.691 120.200 -0.033 0.000 2.267 307 E HA -0.198 4.152 4.350 -0.000 0.000 0.197 307 E C 2.113 178.717 176.600 0.007 0.000 0.998 307 E CA 0.905 57.301 56.400 -0.006 0.000 0.830 307 E CB 0.027 29.727 29.700 -0.001 0.000 0.751 307 E HN 0.500 nan 8.360 nan 0.000 0.491 308 R N 0.260 120.768 120.500 0.013 0.000 2.236 308 R HA 0.104 4.444 4.340 -0.000 0.000 0.208 308 R C 0.895 177.222 176.300 0.044 0.000 1.036 308 R CA 0.331 56.449 56.100 0.031 0.000 1.001 308 R CB 0.144 30.471 30.300 0.045 0.000 0.896 308 R HN -0.084 nan 8.270 nan 0.000 0.464 309 A N 1.431 124.282 122.820 0.051 0.000 2.451 309 A HA 0.563 4.883 4.320 -0.000 0.000 0.266 309 A C -0.182 177.420 177.584 0.031 0.000 1.119 309 A CA 0.092 52.160 52.037 0.052 0.000 0.786 309 A CB 0.226 19.261 19.000 0.059 0.000 1.061 309 A HN 0.307 nan 8.150 nan 0.000 0.503 310 A N 2.564 125.401 122.820 0.029 0.000 2.612 310 A HA 0.712 5.032 4.320 -0.000 0.000 0.293 310 A C -0.718 176.879 177.584 0.023 0.000 1.075 310 A CA -0.794 51.251 52.037 0.013 0.000 0.680 310 A CB 1.061 20.056 19.000 -0.009 0.000 1.279 310 A HN 0.863 nan 8.150 nan 0.000 0.411 311 K N 1.550 121.958 120.400 0.014 0.000 2.240 311 K HA 0.607 4.927 4.320 -0.000 0.000 0.271 311 K C -0.549 176.053 176.600 0.003 0.000 1.018 311 K CA -0.237 56.066 56.287 0.027 0.000 0.874 311 K CB 0.473 32.989 32.500 0.026 0.000 1.098 311 K HN 0.582 nan 8.250 nan 0.000 0.458 312 M N 3.189 122.798 119.600 0.016 0.000 2.314 312 M HA 0.225 4.705 4.480 -0.000 0.000 0.342 312 M C 0.209 176.532 176.300 0.039 0.000 1.171 312 M CA -0.845 54.455 55.300 -0.000 0.000 1.098 312 M CB 0.529 33.152 32.600 0.039 0.000 1.559 312 M HN 0.787 nan 8.290 nan 0.000 0.459 313 N N 1.061 119.788 118.700 0.045 0.000 2.347 313 N HA 0.064 4.804 4.740 -0.000 0.000 0.253 313 N C 0.145 175.732 175.510 0.128 0.000 1.274 313 N CA -0.137 52.964 53.050 0.085 0.000 0.941 313 N CB 0.475 39.013 38.487 0.085 0.000 1.200 313 N HN 0.428 nan 8.380 nan 0.000 0.514 314 D N -0.511 119.948 120.400 0.097 0.000 2.117 314 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 314 D C 1.723 178.070 176.300 0.078 0.000 0.987 314 D CA 1.882 55.926 54.000 0.075 0.000 0.829 314 D CB -0.720 40.109 40.800 0.049 0.000 0.961 314 D HN 0.712 nan 8.370 nan 0.000 0.460 315 A N -0.048 122.837 122.820 0.107 0.000 2.024 315 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 315 A C 1.540 179.094 177.584 -0.050 0.000 1.164 315 A CA 0.923 52.985 52.037 0.041 0.000 0.643 315 A CB -0.659 18.384 19.000 0.073 0.000 0.806 315 A HN 0.170 nan 8.150 nan 0.000 0.451 316 F N -1.181 118.761 119.950 -0.013 0.000 2.641 316 F HA 0.397 4.924 4.527 -0.000 0.000 0.302 316 F C 1.735 177.515 175.800 -0.033 0.000 1.098 316 F CA 0.539 58.527 58.000 -0.021 0.000 1.318 316 F CB 0.465 39.456 39.000 -0.015 0.000 1.035 316 F HN 0.350 nan 8.300 nan 0.000 0.551 317 G N -0.561 108.291 108.800 0.086 0.000 2.213 317 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.226 317 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.226 317 G C 1.273 176.185 174.900 0.020 0.000 0.992 317 G CA -0.108 45.006 45.100 0.024 0.000 0.632 317 G HN 1.008 nan 8.290 nan 0.000 0.511 318 G N -0.508 108.326 108.800 0.057 0.000 2.168 318 G HA2 0.158 4.118 3.960 -0.000 0.000 0.263 318 G HA3 0.158 4.118 3.960 -0.000 0.000 0.263 318 G C 1.500 176.419 174.900 0.031 0.000 0.977 318 G CA 1.164 46.298 45.100 0.057 0.000 0.659 318 G HN 2.100 nan 8.290 nan 0.000 0.533 319 G N -0.535 108.235 108.800 -0.050 0.000 2.621 319 G HA2 0.725 4.685 3.960 -0.000 0.000 0.271 319 G HA3 0.725 4.685 3.960 -0.000 0.000 0.271 319 G C 0.300 175.191 174.900 -0.015 0.000 1.236 319 G CA 0.956 45.941 45.100 -0.192 0.000 0.958 319 G HN 1.850 nan 8.290 nan 0.000 0.512 320 S N -1.736 113.983 115.700 0.032 0.000 2.570 320 S HA 0.605 5.075 4.470 -0.000 0.000 0.270 320 S C -1.547 173.126 174.600 0.122 0.000 1.149 320 S CA -0.808 57.473 58.200 0.136 0.000 0.837 320 S CB 1.902 65.251 63.200 0.248 0.000 1.124 320 S HN 1.201 nan 8.310 nan 0.000 0.465 321 L N 1.524 122.803 121.223 0.094 0.000 2.406 321 L HA 0.743 5.083 4.340 -0.000 0.000 0.272 321 L C -0.818 176.086 176.870 0.056 0.000 0.980 321 L CA 0.201 55.093 54.840 0.086 0.000 0.831 321 L CB 1.915 44.030 42.059 0.092 0.000 1.253 321 L HN 0.911 nan 8.230 nan 0.000 0.406 322 T N 4.282 118.858 114.554 0.036 0.000 2.829 322 T HA 0.845 5.195 4.350 -0.000 0.000 0.282 322 T C -0.311 174.379 174.700 -0.016 0.000 0.990 322 T CA -0.211 61.896 62.100 0.012 0.000 1.028 322 T CB 1.418 70.286 68.868 -0.000 0.000 0.951 322 T HN 0.814 nan 8.240 nan 0.000 0.460 323 A N 3.262 126.076 122.820 -0.010 0.000 2.342 323 A HA 0.772 5.092 4.320 -0.000 0.000 0.323 323 A C -0.588 176.978 177.584 -0.031 0.000 1.125 323 A CA -0.769 51.242 52.037 -0.042 0.000 0.785 323 A CB 0.660 19.702 19.000 0.070 0.000 1.221 323 A HN 0.860 nan 8.150 nan 0.000 0.463 324 L N 4.325 125.500 121.223 -0.079 0.000 2.435 324 L HA 0.333 4.673 4.340 -0.000 0.000 0.253 324 L C -2.301 174.557 176.870 -0.020 0.000 1.087 324 L CA -1.738 53.081 54.840 -0.034 0.000 0.950 324 L CB 1.266 43.309 42.059 -0.027 0.000 1.304 324 L HN 0.499 nan 8.230 nan 0.000 0.453 325 P HA 0.163 nan 4.420 nan 0.000 0.274 325 P C -0.553 176.752 177.300 0.009 0.000 1.237 325 P CA -0.189 62.962 63.100 0.085 0.000 0.793 325 P CB 2.070 33.790 31.700 0.034 0.000 0.977 326 V N 3.087 122.996 119.914 -0.009 0.000 2.604 326 V HA 0.418 4.538 4.120 -0.000 0.000 0.305 326 V C 0.176 176.249 176.094 -0.035 0.000 1.043 326 V CA -0.599 61.695 62.300 -0.011 0.000 0.888 326 V CB 1.844 33.669 31.823 0.003 0.000 0.995 326 V HN 0.407 nan 8.190 nan 0.000 0.429 327 I N 3.225 123.786 120.570 -0.016 0.000 2.545 327 I HA 0.446 4.616 4.170 -0.000 0.000 0.292 327 I C -0.110 176.024 176.117 0.028 0.000 1.040 327 I CA -0.460 60.832 61.300 -0.013 0.000 1.068 327 I CB 2.163 40.146 38.000 -0.028 0.000 1.251 327 I HN 0.756 nan 8.210 nan 0.000 0.424 328 E N 4.792 125.013 120.200 0.035 0.000 2.109 328 E HA 0.360 4.710 4.350 -0.000 0.000 0.278 328 E C -0.419 176.223 176.600 0.070 0.000 0.954 328 E CA -0.383 56.047 56.400 0.050 0.000 0.779 328 E CB 1.107 30.834 29.700 0.046 0.000 1.093 328 E HN 0.707 nan 8.360 nan 0.000 0.401 329 T N 1.966 116.576 114.554 0.093 0.000 2.816 329 T HA 0.279 4.629 4.350 -0.000 0.000 0.282 329 T C 0.061 174.818 174.700 0.095 0.000 0.993 329 T CA -0.929 61.237 62.100 0.110 0.000 0.994 329 T CB 1.357 70.331 68.868 0.176 0.000 1.025 329 T HN 0.338 nan 8.240 nan 0.000 0.529 330 Q N 0.196 120.054 119.800 0.096 0.000 2.322 330 Q HA 0.546 4.886 4.340 -0.000 0.000 0.265 330 Q C 0.468 176.521 176.000 0.087 0.000 0.985 330 Q CA -0.161 55.692 55.803 0.084 0.000 0.849 330 Q CB 1.418 30.206 28.738 0.082 0.000 1.274 330 Q HN 1.214 nan 8.270 nan 0.000 0.449 331 A N 2.181 125.049 122.820 0.080 0.000 2.799 331 A HA -0.181 4.139 4.320 -0.000 0.000 0.287 331 A C 1.111 178.759 177.584 0.108 0.000 1.484 331 A CA 1.595 53.681 52.037 0.082 0.000 0.813 331 A CB -2.132 16.909 19.000 0.069 0.000 1.009 331 A HN 1.623 nan 8.150 nan 0.000 0.545 332 G N -1.328 107.557 108.800 0.141 0.000 2.153 332 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.252 332 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.252 332 G C -0.066 174.974 174.900 0.234 0.000 0.994 332 G CA 1.018 46.259 45.100 0.236 0.000 0.698 332 G HN 1.645 nan 8.290 nan 0.000 0.521 333 D N 0.830 121.314 120.400 0.140 0.000 2.517 333 D HA 0.401 5.041 4.640 -0.000 0.000 0.220 333 D C 1.925 178.234 176.300 0.015 0.000 1.158 333 D CA 0.207 54.249 54.000 0.070 0.000 0.992 333 D CB 0.359 41.197 40.800 0.063 0.000 1.058 333 D HN 0.423 nan 8.370 nan 0.000 0.516 334 V N 1.135 120.980 119.914 -0.116 0.000 2.867 334 V HA -0.117 4.003 4.120 -0.000 0.000 0.260 334 V C 1.831 177.839 176.094 -0.143 0.000 1.099 334 V CA 1.023 63.169 62.300 -0.256 0.000 1.122 334 V CB -0.597 30.813 31.823 -0.687 0.000 0.708 334 V HN 0.301 nan 8.190 nan 0.000 0.490 335 S N 0.310 115.958 115.700 -0.085 0.000 2.603 335 S HA 0.499 4.969 4.470 -0.000 0.000 0.220 335 S C 1.207 175.816 174.600 0.014 0.000 0.967 335 S CA 0.376 58.553 58.200 -0.038 0.000 0.920 335 S CB -0.310 62.875 63.200 -0.026 0.000 0.773 335 S HN 0.820 nan 8.310 nan 0.000 0.529 336 A N 0.546 123.384 122.820 0.030 0.000 2.346 336 A HA 0.366 4.686 4.320 -0.000 0.000 0.255 336 A C 0.919 178.574 177.584 0.118 0.000 1.113 336 A CA -0.183 51.904 52.037 0.082 0.000 0.798 336 A CB -0.184 18.869 19.000 0.089 0.000 1.073 336 A HN 0.351 nan 8.150 nan 0.000 0.502 337 Y N 0.418 120.730 120.300 0.020 0.000 2.070 337 Y HA -0.186 4.364 4.550 -0.000 0.000 0.279 337 Y C 1.795 177.697 175.900 0.004 0.000 1.134 337 Y CA 2.345 60.454 58.100 0.015 0.000 1.113 337 Y CB -0.589 37.890 38.460 0.031 0.000 0.981 337 Y HN 0.458 nan 8.280 nan 0.000 0.487 338 I N 0.546 120.967 120.570 -0.247 0.000 2.179 338 I HA -0.183 3.987 4.170 -0.000 0.000 0.242 338 I C -0.708 175.317 176.117 -0.153 0.000 1.088 338 I CA 1.417 62.512 61.300 -0.342 0.000 1.357 338 I CB -1.867 35.956 38.000 -0.294 0.000 1.051 338 I HN 0.175 nan 8.210 nan 0.000 0.409 339 P HA -0.205 nan 4.420 nan 0.000 0.215 339 P C 1.796 179.071 177.300 -0.043 0.000 1.163 339 P CA 2.588 65.663 63.100 -0.040 0.000 0.894 339 P CB -0.411 31.280 31.700 -0.016 0.000 0.791 340 T N -4.081 110.453 114.554 -0.033 0.000 2.821 340 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 340 T C 1.682 176.383 174.700 0.003 0.000 1.046 340 T CA 1.480 63.572 62.100 -0.014 0.000 1.139 340 T CB -1.484 67.390 68.868 0.011 0.000 0.871 340 T HN 0.157 nan 8.240 nan 0.000 0.454 341 N N 0.908 119.589 118.700 -0.032 0.000 2.021 341 N HA -0.139 4.601 4.740 -0.000 0.000 0.198 341 N C 1.823 177.411 175.510 0.129 0.000 1.041 341 N CA 1.764 54.850 53.050 0.060 0.000 0.862 341 N CB -0.343 38.109 38.487 -0.059 0.000 1.048 341 N HN 0.263 nan 8.380 nan 0.000 0.427 342 V N 1.318 121.248 119.914 0.027 0.000 2.453 342 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 342 V C 2.066 178.163 176.094 0.004 0.000 1.048 342 V CA 1.134 63.426 62.300 -0.014 0.000 1.049 342 V CB -0.418 31.336 31.823 -0.114 0.000 0.672 342 V HN 0.298 nan 8.190 nan 0.000 0.457 343 I N 1.530 122.103 120.570 0.005 0.000 2.264 343 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 343 I C 2.507 178.646 176.117 0.038 0.000 1.111 343 I CA 1.922 63.227 61.300 0.010 0.000 1.382 343 I CB -0.384 37.609 38.000 -0.011 0.000 1.060 343 I HN 0.479 nan 8.210 nan 0.000 0.418 344 S N -0.002 115.742 115.700 0.073 0.000 2.607 344 S HA 0.081 4.551 4.470 -0.000 0.000 0.224 344 S C 1.586 176.291 174.600 0.175 0.000 0.969 344 S CA 0.376 58.644 58.200 0.113 0.000 0.927 344 S CB -0.370 62.899 63.200 0.115 0.000 0.772 344 S HN 0.442 nan 8.310 nan 0.000 0.533 345 I N 1.517 122.167 120.570 0.133 0.000 2.899 345 I HA 0.070 4.240 4.170 -0.000 0.000 0.257 345 I C 1.514 177.654 176.117 0.039 0.000 1.115 345 I CA 0.595 61.945 61.300 0.083 0.000 1.451 345 I CB -0.472 37.522 38.000 -0.009 0.000 1.251 345 I HN 0.334 nan 8.210 nan 0.000 0.456 346 T N -1.243 113.323 114.554 0.021 0.000 2.766 346 T HA 0.060 4.410 4.350 -0.000 0.000 0.295 346 T C 0.220 174.932 174.700 0.021 0.000 1.024 346 T CA -0.411 61.697 62.100 0.014 0.000 1.018 346 T CB 0.577 69.448 68.868 0.005 0.000 1.002 346 T HN 0.052 nan 8.240 nan 0.000 0.532 347 D N 1.039 121.449 120.400 0.018 0.000 3.060 347 D HA 0.438 5.078 4.640 -0.000 0.000 0.245 347 D C 0.932 177.242 176.300 0.017 0.000 1.274 347 D CA 0.347 54.357 54.000 0.017 0.000 0.864 347 D CB -0.451 40.357 40.800 0.014 0.000 1.073 347 D HN 1.018 nan 8.370 nan 0.000 0.473 348 G N 1.103 109.914 108.800 0.018 0.000 2.355 348 G HA2 0.176 4.136 3.960 -0.000 0.000 0.619 348 G HA3 0.176 4.136 3.960 -0.000 0.000 0.619 348 G C -1.697 173.218 174.900 0.025 0.000 1.337 348 G CA -0.970 44.143 45.100 0.021 0.000 0.993 348 G HN 0.174 nan 8.290 nan 0.000 0.599 349 Q N -0.769 119.053 119.800 0.036 0.000 2.435 349 Q HA 0.645 4.985 4.340 -0.000 0.000 0.282 349 Q C -1.658 174.388 176.000 0.077 0.000 1.020 349 Q CA -0.934 54.900 55.803 0.052 0.000 0.820 349 Q CB 1.736 30.505 28.738 0.051 0.000 1.436 349 Q HN 0.947 nan 8.270 nan 0.000 0.395 350 I N 2.438 123.061 120.570 0.089 0.000 2.328 350 I HA 0.344 4.514 4.170 -0.000 0.000 0.287 350 I C -0.882 175.332 176.117 0.161 0.000 1.012 350 I CA -0.757 60.602 61.300 0.099 0.000 1.195 350 I CB 0.830 38.864 38.000 0.056 0.000 1.350 350 I HN 0.491 nan 8.210 nan 0.000 0.464 351 F N 8.218 128.177 119.950 0.014 0.000 2.404 351 F HA 0.565 5.092 4.527 -0.000 0.000 0.354 351 F C -0.833 174.979 175.800 0.020 0.000 1.122 351 F CA -0.764 57.245 58.000 0.015 0.000 1.080 351 F CB 0.685 39.695 39.000 0.017 0.000 1.131 351 F HN 0.187 nan 8.300 nan 0.000 0.471 352 L N 5.960 126.835 121.223 -0.580 0.000 2.317 352 L HA 0.508 4.848 4.340 -0.000 0.000 0.281 352 L C -0.471 175.944 176.870 -0.759 0.000 1.024 352 L CA -0.671 53.871 54.840 -0.497 0.000 0.810 352 L CB 1.683 43.599 42.059 -0.238 0.000 1.240 352 L HN 0.537 nan 8.230 nan 0.000 0.427 353 E N 0.279 120.196 120.200 -0.472 0.000 2.199 353 E HA 0.174 4.524 4.350 -0.000 0.000 0.269 353 E C 0.419 176.954 176.600 -0.108 0.000 0.899 353 E CA -0.283 55.921 56.400 -0.326 0.000 0.772 353 E CB 2.371 31.953 29.700 -0.197 0.000 1.155 353 E HN 0.738 nan 8.360 nan 0.000 0.408 354 T N -0.365 114.157 114.554 -0.053 0.000 2.788 354 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 354 T C 1.519 176.338 174.700 0.199 0.000 1.044 354 T CA 1.441 63.569 62.100 0.047 0.000 1.139 354 T CB 0.053 68.989 68.868 0.112 0.000 0.867 354 T HN 0.542 nan 8.240 nan 0.000 0.454 355 E N 0.754 121.046 120.200 0.153 0.000 2.051 355 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 355 E C 2.252 178.935 176.600 0.139 0.000 0.991 355 E CA 1.147 57.647 56.400 0.166 0.000 0.799 355 E CB -0.282 29.485 29.700 0.111 0.000 0.748 355 E HN 0.619 nan 8.360 nan 0.000 0.449 356 L N 0.000 121.274 121.223 0.085 0.000 2.056 356 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 356 L C 2.499 179.394 176.870 0.041 0.000 1.078 356 L CA 1.002 55.875 54.840 0.054 0.000 0.749 356 L CB -0.536 41.538 42.059 0.025 0.000 0.901 356 L HN 0.191 nan 8.230 nan 0.000 0.433 357 F N 0.089 119.961 119.950 -0.130 0.000 2.091 357 F HA -0.319 4.208 4.527 -0.000 0.000 0.299 357 F C 2.262 177.905 175.800 -0.262 0.000 1.103 357 F CA 1.772 59.619 58.000 -0.255 0.000 1.228 357 F CB -0.338 38.410 39.000 -0.420 0.000 0.984 357 F HN -0.048 nan 8.300 nan 0.000 0.477 358 Y N -0.318 120.067 120.300 0.142 0.000 2.457 358 Y HA -0.024 4.526 4.550 -0.000 0.000 0.292 358 Y C 2.057 177.948 175.900 -0.014 0.000 1.125 358 Y CA 0.712 58.846 58.100 0.055 0.000 1.254 358 Y CB -0.245 38.287 38.460 0.121 0.000 1.012 358 Y HN -0.057 nan 8.280 nan 0.000 0.555 359 K N -0.413 120.055 120.400 0.112 0.000 2.486 359 K HA 0.068 4.387 4.320 -0.000 0.000 0.194 359 K C 1.381 177.977 176.600 -0.006 0.000 1.033 359 K CA 0.742 57.063 56.287 0.056 0.000 1.004 359 K CB -0.022 32.512 32.500 0.057 0.000 0.798 359 K HN 0.431 nan 8.250 nan 0.000 0.495 360 G N 1.066 109.816 108.800 -0.083 0.000 2.176 360 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.232 360 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.232 360 G C 0.024 174.846 174.900 -0.130 0.000 0.986 360 G CA -0.459 44.561 45.100 -0.133 0.000 0.643 360 G HN 0.121 nan 8.290 nan 0.000 0.522 361 I N 1.963 122.476 120.570 -0.096 0.000 2.372 361 I HA 0.336 4.506 4.170 -0.000 0.000 0.298 361 I C 0.794 176.847 176.117 -0.106 0.000 1.137 361 I CA 0.412 61.672 61.300 -0.066 0.000 1.314 361 I CB -0.478 37.514 38.000 -0.014 0.000 1.444 361 I HN 0.167 nan 8.210 nan 0.000 0.541 362 R N 7.450 127.875 120.500 -0.124 0.000 2.514 362 R HA 0.399 4.739 4.340 -0.000 0.000 0.296 362 R C -2.578 173.676 176.300 -0.076 0.000 1.012 362 R CA -1.646 54.378 56.100 -0.127 0.000 0.897 362 R CB 2.502 32.647 30.300 -0.258 0.000 1.184 362 R HN 0.258 nan 8.270 nan 0.000 0.440 363 P HA -0.019 nan 4.420 nan 0.000 0.268 363 P C -0.253 177.044 177.300 -0.005 0.000 1.205 363 P CA -0.042 63.050 63.100 -0.014 0.000 0.771 363 P CB 0.898 32.592 31.700 -0.011 0.000 0.858 364 A N 4.541 127.378 122.820 0.029 0.000 2.916 364 A HA 0.167 4.487 4.320 -0.000 0.000 0.254 364 A C 0.798 178.362 177.584 -0.034 0.000 1.544 364 A CA -0.346 51.702 52.037 0.018 0.000 1.224 364 A CB -1.439 17.621 19.000 0.100 0.000 1.012 364 A HN 0.490 nan 8.150 nan 0.000 0.636 365 I N 1.285 121.846 120.570 -0.016 0.000 2.452 365 I HA 0.013 4.183 4.170 -0.000 0.000 0.287 365 I C 0.535 176.665 176.117 0.020 0.000 1.079 365 I CA -0.334 60.962 61.300 -0.007 0.000 1.387 365 I CB 0.506 38.517 38.000 0.018 0.000 1.404 365 I HN 0.344 nan 8.210 nan 0.000 0.522 366 N N 6.528 125.250 118.700 0.036 0.000 2.399 366 N HA 0.054 4.794 4.740 -0.000 0.000 0.259 366 N C 0.788 176.377 175.510 0.132 0.000 1.160 366 N CA 0.011 53.130 53.050 0.115 0.000 0.946 366 N CB 1.414 40.042 38.487 0.236 0.000 1.156 366 N HN 0.411 nan 8.380 nan 0.000 0.489 367 V N 4.197 124.171 119.914 0.099 0.000 2.261 367 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 367 V C 2.402 178.546 176.094 0.084 0.000 1.047 367 V CA 2.293 64.644 62.300 0.085 0.000 1.015 367 V CB -1.004 30.866 31.823 0.079 0.000 0.642 367 V HN 0.774 nan 8.190 nan 0.000 0.446 368 G N -0.432 108.418 108.800 0.083 0.000 2.442 368 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 368 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 368 G C 1.539 176.475 174.900 0.061 0.000 1.141 368 G CA 0.890 46.028 45.100 0.064 0.000 0.763 368 G HN 0.489 nan 8.290 nan 0.000 0.554 369 L N 0.697 121.976 121.223 0.094 0.000 2.446 369 L HA 0.175 4.515 4.340 -0.000 0.000 0.219 369 L C 0.937 177.851 176.870 0.074 0.000 1.116 369 L CA -0.179 54.700 54.840 0.064 0.000 0.844 369 L CB 0.095 42.195 42.059 0.068 0.000 0.970 369 L HN 0.027 nan 8.230 nan 0.000 0.457 370 S N 0.021 115.790 115.700 0.115 0.000 2.586 370 S HA 0.518 4.988 4.470 -0.000 0.000 0.274 370 S C -0.211 174.425 174.600 0.059 0.000 1.281 370 S CA -0.578 57.683 58.200 0.101 0.000 1.035 370 S CB 1.979 65.245 63.200 0.111 0.000 0.962 370 S HN 0.090 nan 8.310 nan 0.000 0.512 371 V N -0.512 119.429 119.914 0.046 0.000 3.147 371 V HA 0.887 5.007 4.120 -0.000 0.000 0.306 371 V C -0.540 175.570 176.094 0.028 0.000 1.209 371 V CA -0.811 61.508 62.300 0.032 0.000 1.023 371 V CB 1.837 33.672 31.823 0.021 0.000 1.059 371 V HN 0.704 nan 8.190 nan 0.000 0.435 372 S N 1.028 116.741 115.700 0.022 0.000 2.473 372 S HA 0.590 5.060 4.470 -0.000 0.000 0.307 372 S C 0.431 175.039 174.600 0.014 0.000 1.094 372 S CA -0.803 57.407 58.200 0.017 0.000 1.070 372 S CB 1.664 64.873 63.200 0.014 0.000 1.019 372 S HN 0.850 nan 8.310 nan 0.000 0.480 373 R N 3.121 123.629 120.500 0.012 0.000 2.334 373 R HA 0.197 4.537 4.340 -0.000 0.000 0.216 373 R C 0.686 176.991 176.300 0.008 0.000 0.905 373 R CA 0.225 56.332 56.100 0.011 0.000 1.064 373 R CB 0.156 30.465 30.300 0.013 0.000 1.046 373 R HN 0.482 nan 8.270 nan 0.000 0.508 374 V N -0.457 119.460 119.914 0.006 0.000 3.212 374 V HA 0.189 4.309 4.120 -0.000 0.000 0.244 374 V C 1.354 177.449 176.094 0.001 0.000 1.151 374 V CA 0.942 63.244 62.300 0.003 0.000 1.119 374 V CB 0.275 32.098 31.823 -0.001 0.000 0.838 374 V HN 0.586 nan 8.190 nan 0.000 0.470 375 G N 1.485 110.287 108.800 0.003 0.000 2.552 375 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.265 375 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.265 375 G C 1.132 176.032 174.900 0.000 0.000 1.234 375 G CA 1.038 46.141 45.100 0.003 0.000 0.944 375 G HN 0.965 nan 8.290 nan 0.000 0.568 376 S N 0.101 115.801 115.700 0.001 0.000 2.442 376 S HA 0.178 4.648 4.470 -0.000 0.000 0.236 376 S C 2.610 177.208 174.600 -0.005 0.000 1.007 376 S CA 1.918 60.117 58.200 -0.001 0.000 0.965 376 S CB -0.490 62.710 63.200 0.001 0.000 0.773 376 S HN 2.151 nan 8.310 nan 0.000 0.504 377 A N 1.581 124.398 122.820 -0.006 0.000 2.024 377 A HA 0.298 4.618 4.320 -0.000 0.000 0.220 377 A C 2.272 179.846 177.584 -0.016 0.000 1.164 377 A CA 1.456 53.488 52.037 -0.009 0.000 0.643 377 A CB -1.095 17.901 19.000 -0.007 0.000 0.806 377 A HN 0.959 nan 8.150 nan 0.000 0.451 378 A N -1.340 121.470 122.820 -0.016 0.000 2.251 378 A HA 0.291 4.611 4.320 -0.000 0.000 0.209 378 A C 0.787 178.355 177.584 -0.027 0.000 1.187 378 A CA -0.065 51.957 52.037 -0.024 0.000 0.823 378 A CB -0.053 18.935 19.000 -0.020 0.000 0.846 378 A HN 0.641 nan 8.150 nan 0.000 0.486 379 Q N 0.267 120.055 119.800 -0.019 0.000 2.301 379 Q HA 0.437 4.777 4.340 -0.000 0.000 0.267 379 Q C -0.027 175.963 176.000 -0.016 0.000 1.035 379 Q CA -0.554 55.240 55.803 -0.015 0.000 0.856 379 Q CB 1.582 30.317 28.738 -0.004 0.000 1.337 379 Q HN 0.438 nan 8.270 nan 0.000 0.450 380 T N -1.857 112.689 114.554 -0.015 0.000 2.855 380 T HA 0.039 4.389 4.350 -0.000 0.000 0.314 380 T C 0.951 175.650 174.700 -0.002 0.000 1.077 380 T CA -0.267 61.826 62.100 -0.011 0.000 1.095 380 T CB 0.940 69.804 68.868 -0.007 0.000 0.987 380 T HN 0.721 nan 8.240 nan 0.000 0.546 381 R N 0.888 121.388 120.500 -0.001 0.000 2.096 381 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 381 R C 2.628 178.936 176.300 0.014 0.000 1.127 381 R CA 1.368 57.471 56.100 0.005 0.000 0.968 381 R CB -0.991 29.311 30.300 0.004 0.000 0.861 381 R HN 0.864 nan 8.270 nan 0.000 0.440 382 A N 0.861 123.690 122.820 0.014 0.000 1.883 382 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 382 A C 2.081 179.686 177.584 0.034 0.000 1.186 382 A CA 1.806 53.857 52.037 0.024 0.000 0.624 382 A CB -0.532 18.477 19.000 0.016 0.000 0.822 382 A HN 0.439 nan 8.150 nan 0.000 0.444 383 M N -0.139 119.476 119.600 0.025 0.000 2.132 383 M HA -0.050 4.430 4.480 -0.000 0.000 0.263 383 M C 1.928 178.243 176.300 0.024 0.000 1.065 383 M CA 2.195 57.511 55.300 0.027 0.000 1.122 383 M CB -0.467 32.144 32.600 0.019 0.000 1.365 383 M HN 0.406 nan 8.290 nan 0.000 0.411 384 K N -0.566 119.844 120.400 0.017 0.000 2.103 384 K HA -0.225 4.095 4.320 -0.000 0.000 0.207 384 K C 2.025 178.636 176.600 0.018 0.000 1.048 384 K CA 1.805 58.100 56.287 0.014 0.000 0.930 384 K CB -0.127 32.378 32.500 0.008 0.000 0.716 384 K HN 0.560 nan 8.250 nan 0.000 0.444 385 Q N -0.078 119.739 119.800 0.028 0.000 2.050 385 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 385 Q C 2.123 178.147 176.000 0.038 0.000 0.980 385 Q CA 2.027 57.852 55.803 0.037 0.000 0.840 385 Q CB 0.019 28.789 28.738 0.055 0.000 0.898 385 Q HN 0.380 nan 8.270 nan 0.000 0.424 386 V N -3.485 116.460 119.914 0.051 0.000 2.788 386 V HA 0.170 4.290 4.120 -0.000 0.000 0.251 386 V C 1.642 177.744 176.094 0.015 0.000 1.068 386 V CA 1.325 63.652 62.300 0.046 0.000 1.090 386 V CB -0.239 31.638 31.823 0.091 0.000 0.710 386 V HN 0.223 nan 8.190 nan 0.000 0.467 387 A N 0.553 123.382 122.820 0.015 0.000 2.348 387 A HA 0.491 4.811 4.320 -0.000 0.000 0.224 387 A C 2.131 179.716 177.584 0.002 0.000 1.227 387 A CA 0.730 52.771 52.037 0.006 0.000 0.885 387 A CB -0.671 18.336 19.000 0.011 0.000 0.933 387 A HN 0.632 nan 8.150 nan 0.000 0.506 388 G N 1.070 109.872 108.800 0.002 0.000 2.679 388 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.222 388 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.222 388 G C 1.486 176.384 174.900 -0.002 0.000 1.164 388 G CA 2.212 47.312 45.100 0.000 0.000 0.769 388 G HN 0.961 nan 8.290 nan 0.000 0.610 389 T N -3.175 111.375 114.554 -0.008 0.000 3.040 389 T HA 0.388 4.738 4.350 -0.000 0.000 0.266 389 T C 1.937 176.633 174.700 -0.006 0.000 1.005 389 T CA 0.707 62.802 62.100 -0.007 0.000 0.906 389 T CB 0.223 69.083 68.868 -0.013 0.000 1.082 389 T HN 0.213 nan 8.240 nan 0.000 0.531 390 M N 1.170 120.766 119.600 -0.008 0.000 2.159 390 M HA 0.078 4.558 4.480 -0.000 0.000 0.263 390 M C 2.279 178.582 176.300 0.005 0.000 1.063 390 M CA 1.504 56.798 55.300 -0.009 0.000 1.110 390 M CB -0.151 32.440 32.600 -0.014 0.000 1.374 390 M HN 0.204 nan 8.290 nan 0.000 0.411 391 K N 0.324 120.731 120.400 0.011 0.000 2.057 391 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 391 K C 1.758 178.374 176.600 0.028 0.000 1.050 391 K CA 1.321 57.621 56.287 0.022 0.000 0.935 391 K CB -0.148 32.365 32.500 0.021 0.000 0.715 391 K HN 0.413 nan 8.250 nan 0.000 0.439 392 L N 0.585 121.819 121.223 0.020 0.000 2.056 392 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 392 L C 2.547 179.434 176.870 0.029 0.000 1.078 392 L CA 1.268 56.120 54.840 0.020 0.000 0.749 392 L CB -0.481 41.585 42.059 0.010 0.000 0.901 392 L HN 0.349 nan 8.230 nan 0.000 0.433 393 E N 0.688 120.903 120.200 0.024 0.000 2.049 393 E HA -0.255 4.095 4.350 -0.000 0.000 0.198 393 E C 2.334 178.979 176.600 0.075 0.000 1.007 393 E CA 1.423 57.842 56.400 0.031 0.000 0.809 393 E CB -0.081 29.620 29.700 0.003 0.000 0.749 393 E HN 0.423 nan 8.360 nan 0.000 0.450 394 L N -0.062 121.205 121.223 0.074 0.000 2.201 394 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 394 L C 2.500 179.471 176.870 0.169 0.000 1.105 394 L CA 0.786 55.711 54.840 0.141 0.000 0.775 394 L CB -0.320 41.794 42.059 0.091 0.000 0.913 394 L HN 0.206 nan 8.230 nan 0.000 0.440 395 A N -0.884 121.994 122.820 0.096 0.000 1.897 395 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 395 A C 2.258 179.869 177.584 0.046 0.000 1.181 395 A CA 0.960 53.036 52.037 0.065 0.000 0.620 395 A CB -0.272 18.753 19.000 0.043 0.000 0.821 395 A HN 0.323 nan 8.150 nan 0.000 0.443 396 Q N -1.461 118.371 119.800 0.053 0.000 2.119 396 Q HA -0.185 4.155 4.340 -0.000 0.000 0.201 396 Q C 1.914 177.946 176.000 0.054 0.000 0.972 396 Q CA 1.725 57.549 55.803 0.036 0.000 0.847 396 Q CB -0.511 28.245 28.738 0.030 0.000 0.903 396 Q HN 0.871 nan 8.270 nan 0.000 0.433 397 Y N 1.669 121.967 120.300 -0.003 0.000 2.114 397 Y HA -0.262 4.288 4.550 -0.000 0.000 0.282 397 Y C 2.135 178.040 175.900 0.009 0.000 1.165 397 Y CA 1.911 60.010 58.100 -0.002 0.000 1.148 397 Y CB -0.242 38.214 38.460 -0.007 0.000 0.972 397 Y HN -0.047 nan 8.280 nan 0.000 0.504 398 R N 0.190 120.468 120.500 -0.370 0.000 2.092 398 R HA -0.136 4.204 4.340 -0.000 0.000 0.231 398 R C 2.392 178.547 176.300 -0.241 0.000 1.119 398 R CA 1.223 57.058 56.100 -0.442 0.000 0.970 398 R CB -0.370 29.829 30.300 -0.169 0.000 0.864 398 R HN 0.367 nan 8.270 nan 0.000 0.440 399 E N 0.749 120.876 120.200 -0.122 0.000 2.051 399 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 399 E C 1.849 178.424 176.600 -0.042 0.000 0.991 399 E CA 1.454 57.818 56.400 -0.060 0.000 0.799 399 E CB 0.074 29.750 29.700 -0.040 0.000 0.748 399 E HN 0.129 nan 8.360 nan 0.000 0.449 400 V N 1.252 121.130 119.914 -0.060 0.000 2.548 400 V HA -0.170 3.950 4.120 -0.000 0.000 0.249 400 V C 2.567 178.648 176.094 -0.021 0.000 1.055 400 V CA 1.453 63.757 62.300 0.007 0.000 1.065 400 V CB -0.776 31.059 31.823 0.021 0.000 0.681 400 V HN 0.324 nan 8.190 nan 0.000 0.462 401 A N 0.285 122.994 122.820 -0.185 0.000 1.902 401 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 401 A C 2.431 179.937 177.584 -0.130 0.000 1.181 401 A CA 2.109 54.017 52.037 -0.215 0.000 0.623 401 A CB -0.724 17.989 19.000 -0.479 0.000 0.818 401 A HN 0.549 nan 8.150 nan 0.000 0.443 402 A N -1.320 121.444 122.820 -0.092 0.000 1.898 402 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 402 A C 2.045 179.640 177.584 0.017 0.000 1.181 402 A CA 1.563 53.585 52.037 -0.025 0.000 0.620 402 A CB -0.722 18.281 19.000 0.005 0.000 0.819 402 A HN 0.677 nan 8.150 nan 0.000 0.442 403 F N 0.971 120.863 119.950 -0.097 0.000 2.216 403 F HA -0.040 4.487 4.527 0.000 0.000 0.300 403 F C 2.388 178.021 175.800 -0.279 0.000 1.085 403 F CA 0.929 58.871 58.000 -0.097 0.000 1.326 403 F CB -0.278 38.681 39.000 -0.067 0.000 1.027 403 F HN 0.247 nan 8.300 nan 0.000 0.497 404 A N -0.263 122.370 122.820 -0.313 0.000 1.854 404 A HA -0.158 4.162 4.320 -0.000 0.000 0.214 404 A C 1.929 179.073 177.584 -0.734 0.000 1.192 404 A CA 1.345 53.070 52.037 -0.522 0.000 0.611 404 A CB -0.849 18.019 19.000 -0.221 0.000 0.832 404 A HN 0.524 nan 8.150 nan 0.000 0.442 405 Q N -1.088 118.475 119.800 -0.396 0.000 2.629 405 Q HA -0.303 4.037 4.340 -0.000 0.000 0.236 405 Q C 0.382 176.269 176.000 -0.188 0.000 1.166 405 Q CA 2.243 57.915 55.803 -0.218 0.000 1.024 405 Q CB -1.389 27.320 28.738 -0.049 0.000 0.949 405 Q HN 0.816 nan 8.270 nan 0.000 0.570 406 F N -0.305 119.588 119.950 -0.095 0.000 2.443 406 F HA 0.471 4.998 4.527 -0.000 0.000 0.353 406 F C 1.031 176.785 175.800 -0.077 0.000 1.101 406 F CA -0.531 57.420 58.000 -0.081 0.000 1.226 406 F CB 0.487 39.432 39.000 -0.092 0.000 1.140 406 F HN 0.004 nan 8.300 nan 0.000 0.557 407 G N 2.660 111.511 108.800 0.085 0.000 2.789 407 G HA2 0.349 4.309 3.960 -0.000 0.000 0.281 407 G HA3 0.349 4.309 3.960 -0.000 0.000 0.281 407 G C 0.071 175.006 174.900 0.058 0.000 0.708 407 G CA 0.083 45.198 45.100 0.024 0.000 2.067 407 G HN 0.974 nan 8.290 nan 0.000 0.554 408 S N 0.605 116.314 115.700 0.015 0.000 2.694 408 S HA 0.542 5.012 4.470 -0.000 0.000 0.286 408 S C -0.253 174.349 174.600 0.004 0.000 1.080 408 S CA -0.690 57.543 58.200 0.054 0.000 0.953 408 S CB 1.287 64.570 63.200 0.138 0.000 1.313 408 S HN 0.356 nan 8.310 nan 0.000 0.555 409 D N 1.108 121.520 120.400 0.020 0.000 2.441 409 D HA 0.370 5.010 4.640 -0.000 0.000 0.221 409 D C -0.701 175.608 176.300 0.015 0.000 1.156 409 D CA -0.264 53.746 54.000 0.017 0.000 0.896 409 D CB -0.339 40.479 40.800 0.030 0.000 1.028 409 D HN 0.392 nan 8.370 nan 0.000 0.509 410 L N 2.229 123.452 121.223 -0.000 0.000 2.289 410 L HA 0.244 4.584 4.340 -0.000 0.000 0.285 410 L C 0.743 177.623 176.870 0.016 0.000 1.049 410 L CA -1.059 53.788 54.840 0.011 0.000 0.804 410 L CB 1.091 43.145 42.059 -0.009 0.000 1.195 410 L HN 0.328 nan 8.230 nan 0.000 0.428 411 D N 2.245 122.660 120.400 0.025 0.000 2.384 411 D HA 0.116 4.756 4.640 -0.000 0.000 0.244 411 D C 1.035 177.341 176.300 0.010 0.000 1.251 411 D CA -0.007 54.004 54.000 0.017 0.000 0.961 411 D CB 0.848 41.659 40.800 0.019 0.000 1.116 411 D HN 0.499 nan 8.370 nan 0.000 0.484 412 A N 0.228 123.051 122.820 0.004 0.000 1.933 412 A HA 0.028 4.348 4.320 -0.000 0.000 0.218 412 A C 2.169 179.751 177.584 -0.004 0.000 1.175 412 A CA 2.333 54.369 52.037 -0.002 0.000 0.628 412 A CB -1.225 17.771 19.000 -0.006 0.000 0.814 412 A HN 0.707 nan 8.150 nan 0.000 0.444 413 A N -0.525 122.294 122.820 -0.001 0.000 1.970 413 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 413 A C 2.375 179.962 177.584 0.004 0.000 1.170 413 A CA 2.141 54.176 52.037 -0.004 0.000 0.645 413 A CB -1.025 17.972 19.000 -0.005 0.000 0.816 413 A HN 0.707 nan 8.150 nan 0.000 0.447 414 T N -2.703 111.860 114.554 0.015 0.000 2.937 414 T HA -0.096 4.254 4.350 -0.000 0.000 0.260 414 T C 1.869 176.587 174.700 0.030 0.000 1.051 414 T CA 1.165 63.282 62.100 0.029 0.000 1.141 414 T CB -0.366 68.528 68.868 0.044 0.000 0.879 414 T HN 0.523 nan 8.240 nan 0.000 0.459 415 Q N 0.528 120.338 119.800 0.017 0.000 2.084 415 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 415 Q C 2.513 178.516 176.000 0.005 0.000 0.978 415 Q CA 1.738 57.547 55.803 0.011 0.000 0.844 415 Q CB -0.264 28.475 28.738 0.001 0.000 0.898 415 Q HN 0.517 nan 8.270 nan 0.000 0.426 416 Q N 1.235 121.032 119.800 -0.006 0.000 2.084 416 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 416 Q C 1.822 177.809 176.000 -0.021 0.000 0.978 416 Q CA 1.316 57.106 55.803 -0.023 0.000 0.844 416 Q CB -0.408 28.312 28.738 -0.030 0.000 0.898 416 Q HN 0.433 nan 8.270 nan 0.000 0.426 417 L N -0.694 120.532 121.223 0.004 0.000 2.046 417 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 417 L C 2.084 178.998 176.870 0.074 0.000 1.077 417 L CA 1.089 55.945 54.840 0.027 0.000 0.747 417 L CB -0.151 41.938 42.059 0.050 0.000 0.896 417 L HN 0.323 nan 8.230 nan 0.000 0.432 418 L N -1.254 120.035 121.223 0.109 0.000 2.056 418 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 418 L C 2.593 179.492 176.870 0.048 0.000 1.078 418 L CA 1.252 56.208 54.840 0.193 0.000 0.749 418 L CB -0.592 41.554 42.059 0.145 0.000 0.901 418 L HN 0.202 nan 8.230 nan 0.000 0.433 419 S N -0.362 115.333 115.700 -0.009 0.000 2.356 419 S HA -0.218 4.251 4.470 -0.000 0.000 0.223 419 S C 2.041 176.567 174.600 -0.125 0.000 1.032 419 S CA 1.395 59.562 58.200 -0.056 0.000 1.005 419 S CB -0.264 62.907 63.200 -0.048 0.000 0.867 419 S HN 0.271 nan 8.310 nan 0.000 0.449 420 R N 1.592 122.011 120.500 -0.136 0.000 2.073 420 R HA -0.002 4.338 4.340 -0.000 0.000 0.234 420 R C 2.298 178.420 176.300 -0.297 0.000 1.134 420 R CA 1.837 57.829 56.100 -0.181 0.000 0.952 420 R CB -1.266 28.950 30.300 -0.140 0.000 0.850 420 R HN 0.371 nan 8.270 nan 0.000 0.433 421 G N -0.501 108.021 108.800 -0.463 0.000 2.418 421 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 421 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 421 G C 1.443 175.650 174.900 -1.155 0.000 1.158 421 G CA 0.907 45.372 45.100 -1.058 0.000 0.771 421 G HN 0.235 nan 8.290 nan 0.000 0.545 422 V N 0.627 120.087 119.914 -0.757 0.000 2.287 422 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 422 V C 2.954 178.917 176.094 -0.219 0.000 1.053 422 V CA 2.241 64.356 62.300 -0.308 0.000 1.027 422 V CB -0.451 31.322 31.823 -0.084 0.000 0.646 422 V HN 0.291 nan 8.190 nan 0.000 0.447 423 R N -0.587 119.783 120.500 -0.218 0.000 2.090 423 R HA 0.033 4.373 4.340 -0.000 0.000 0.228 423 R C 2.259 178.460 176.300 -0.165 0.000 1.110 423 R CA 1.046 57.046 56.100 -0.166 0.000 0.973 423 R CB -0.339 29.861 30.300 -0.167 0.000 0.869 423 R HN 0.407 nan 8.270 nan 0.000 0.440 424 L N -0.103 121.002 121.223 -0.197 0.000 2.046 424 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 424 L C 2.141 178.940 176.870 -0.117 0.000 1.077 424 L CA 1.398 56.146 54.840 -0.154 0.000 0.747 424 L CB -0.720 41.243 42.059 -0.160 0.000 0.896 424 L HN 0.253 nan 8.230 nan 0.000 0.432 425 T N -0.911 113.558 114.554 -0.142 0.000 2.720 425 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 425 T C 1.782 176.458 174.700 -0.039 0.000 1.037 425 T CA 1.217 63.279 62.100 -0.062 0.000 1.144 425 T CB -0.143 68.712 68.868 -0.021 0.000 0.864 425 T HN 0.299 nan 8.240 nan 0.000 0.444 426 E N 1.059 121.228 120.200 -0.052 0.000 2.077 426 E HA 0.005 4.355 4.350 -0.000 0.000 0.193 426 E C 2.313 178.896 176.600 -0.028 0.000 0.989 426 E CA 0.587 56.968 56.400 -0.032 0.000 0.800 426 E CB -0.539 29.142 29.700 -0.032 0.000 0.746 426 E HN 0.425 nan 8.360 nan 0.000 0.452 427 L N 0.372 121.568 121.223 -0.045 0.000 2.131 427 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 427 L C 2.107 178.969 176.870 -0.014 0.000 1.092 427 L CA 0.785 55.607 54.840 -0.030 0.000 0.759 427 L CB -0.116 41.912 42.059 -0.051 0.000 0.903 427 L HN 0.112 nan 8.230 nan 0.000 0.435 428 L N -0.855 120.356 121.223 -0.020 0.000 2.592 428 L HA 0.030 4.370 4.340 -0.000 0.000 0.227 428 L C 0.755 177.617 176.870 -0.012 0.000 1.127 428 L CA -0.033 54.800 54.840 -0.011 0.000 0.884 428 L CB -0.151 41.903 42.059 -0.009 0.000 1.065 428 L HN 0.080 nan 8.230 nan 0.000 0.457 429 K N 1.129 121.519 120.400 -0.016 0.000 2.295 429 K HA 0.274 4.594 4.320 -0.000 0.000 0.270 429 K C -0.176 176.411 176.600 -0.022 0.000 1.011 429 K CA 0.198 56.470 56.287 -0.025 0.000 0.953 429 K CB 0.830 33.313 32.500 -0.027 0.000 0.956 429 K HN -0.019 nan 8.250 nan 0.000 0.477 430 Q N 0.159 119.937 119.800 -0.036 0.000 2.386 430 Q HA 0.320 4.660 4.340 -0.000 0.000 0.274 430 Q C -0.919 175.046 176.000 -0.059 0.000 1.011 430 Q CA -0.625 55.157 55.803 -0.035 0.000 0.867 430 Q CB 1.808 30.528 28.738 -0.029 0.000 1.409 430 Q HN 0.799 nan 8.270 nan 0.000 0.395 431 G N 1.368 110.135 108.800 -0.055 0.000 2.616 431 G HA2 0.272 4.232 3.960 -0.000 0.000 0.268 431 G HA3 0.272 4.232 3.960 -0.000 0.000 0.268 431 G C -0.646 174.177 174.900 -0.128 0.000 1.213 431 G CA -0.187 44.865 45.100 -0.080 0.000 0.926 431 G HN 0.574 nan 8.290 nan 0.000 0.523 432 Q N -1.504 118.162 119.800 -0.224 0.000 2.221 432 Q HA 0.365 4.705 4.340 -0.000 0.000 0.242 432 Q C -0.502 175.293 176.000 -0.342 0.000 0.940 432 Q CA -0.465 55.051 55.803 -0.479 0.000 0.896 432 Q CB 0.964 29.105 28.738 -0.996 0.000 1.226 432 Q HN 0.645 nan 8.270 nan 0.000 0.463 433 Y N -1.400 118.896 120.300 -0.006 0.000 4.798 433 Y HA -0.262 4.288 4.550 -0.000 0.000 0.237 433 Y C 0.041 175.933 175.900 -0.014 0.000 1.017 433 Y CA 0.213 58.306 58.100 -0.012 0.000 2.010 433 Y CB -1.694 36.758 38.460 -0.014 0.000 1.582 433 Y HN 0.326 nan 8.280 nan 0.000 0.621 434 S N 0.700 116.440 115.700 0.068 0.000 2.204 434 S HA 0.244 4.714 4.470 -0.000 0.000 0.178 434 S C -2.284 172.320 174.600 0.007 0.000 1.493 434 S CA -0.913 57.309 58.200 0.036 0.000 1.266 434 S CB 0.842 64.058 63.200 0.027 0.000 1.232 434 S HN 0.063 nan 8.310 nan 0.000 0.406 435 P HA 0.108 nan 4.420 nan 0.000 0.265 435 P C -0.573 176.716 177.300 -0.018 0.000 1.193 435 P CA 0.087 63.185 63.100 -0.004 0.000 0.765 435 P CB 0.408 32.111 31.700 0.005 0.000 0.823 436 M N 1.900 121.492 119.600 -0.013 0.000 2.264 436 M HA 0.445 4.925 4.480 -0.000 0.000 0.352 436 M C 0.651 176.940 176.300 -0.019 0.000 1.173 436 M CA -0.771 54.517 55.300 -0.018 0.000 1.075 436 M CB 1.653 34.249 32.600 -0.007 0.000 1.621 436 M HN 0.342 nan 8.290 nan 0.000 0.457 437 A N 2.084 124.880 122.820 -0.038 0.000 2.520 437 A HA 0.073 4.393 4.320 -0.000 0.000 0.235 437 A C 1.040 178.625 177.584 0.002 0.000 1.065 437 A CA -0.308 51.710 52.037 -0.032 0.000 0.764 437 A CB 0.038 19.005 19.000 -0.055 0.000 1.002 437 A HN 0.944 nan 8.150 nan 0.000 0.502 438 I N 1.057 121.646 120.570 0.032 0.000 2.208 438 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 438 I C 2.509 178.636 176.117 0.016 0.000 1.097 438 I CA 2.398 63.718 61.300 0.033 0.000 1.363 438 I CB -0.393 37.636 38.000 0.048 0.000 1.051 438 I HN 0.858 nan 8.210 nan 0.000 0.413 439 E N 0.361 120.563 120.200 0.004 0.000 2.204 439 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 439 E C 1.747 178.334 176.600 -0.021 0.000 0.990 439 E CA 1.578 57.971 56.400 -0.012 0.000 0.821 439 E CB -0.666 29.018 29.700 -0.026 0.000 0.750 439 E HN 0.662 nan 8.360 nan 0.000 0.477 440 E N 0.789 120.976 120.200 -0.023 0.000 2.107 440 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 440 E C 2.328 178.934 176.600 0.010 0.000 0.982 440 E CA 0.811 57.194 56.400 -0.028 0.000 0.809 440 E CB -0.028 29.648 29.700 -0.039 0.000 0.756 440 E HN 0.380 nan 8.360 nan 0.000 0.459 441 Q N 0.402 120.213 119.800 0.018 0.000 2.084 441 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 441 Q C 2.400 178.433 176.000 0.054 0.000 0.978 441 Q CA 1.317 57.141 55.803 0.035 0.000 0.844 441 Q CB -0.072 28.682 28.738 0.028 0.000 0.898 441 Q HN 0.156 nan 8.270 nan 0.000 0.426 442 V N 1.023 120.965 119.914 0.048 0.000 2.343 442 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 442 V C 2.296 178.455 176.094 0.108 0.000 1.051 442 V CA 1.847 64.187 62.300 0.067 0.000 1.036 442 V CB -0.949 30.899 31.823 0.042 0.000 0.654 442 V HN 0.406 nan 8.190 nan 0.000 0.451 443 A N 0.351 123.220 122.820 0.082 0.000 1.933 443 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 443 A C 2.411 180.184 177.584 0.315 0.000 1.175 443 A CA 2.340 54.463 52.037 0.144 0.000 0.628 443 A CB -0.726 18.301 19.000 0.045 0.000 0.814 443 A HN 0.630 nan 8.150 nan 0.000 0.444 444 V N -1.939 118.119 119.914 0.240 0.000 2.323 444 V HA -0.138 3.982 4.120 -0.000 0.000 0.244 444 V C 2.123 178.289 176.094 0.120 0.000 1.041 444 V CA 1.551 63.983 62.300 0.219 0.000 1.025 444 V CB -0.890 31.033 31.823 0.167 0.000 0.656 444 V HN 0.358 nan 8.190 nan 0.000 0.451 445 I N 0.107 120.740 120.570 0.105 0.000 2.264 445 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 445 I C 2.565 178.730 176.117 0.081 0.000 1.111 445 I CA 2.112 63.450 61.300 0.064 0.000 1.382 445 I CB -1.696 36.338 38.000 0.056 0.000 1.060 445 I HN 0.511 nan 8.210 nan 0.000 0.418 446 Y N 2.133 122.442 120.300 0.016 0.000 2.114 446 Y HA -0.323 4.227 4.550 -0.000 0.000 0.282 446 Y C 2.645 178.562 175.900 0.027 0.000 1.165 446 Y CA 2.394 60.510 58.100 0.027 0.000 1.148 446 Y CB -0.251 38.236 38.460 0.045 0.000 0.972 446 Y HN 0.139 nan 8.280 nan 0.000 0.504 447 A N 0.008 122.910 122.820 0.137 0.000 1.908 447 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 447 A C 2.448 179.994 177.584 -0.063 0.000 1.181 447 A CA 1.968 53.995 52.037 -0.017 0.000 0.627 447 A CB -1.719 17.106 19.000 -0.292 0.000 0.818 447 A HN 0.626 nan 8.150 nan 0.000 0.445 448 G N -1.212 107.520 108.800 -0.112 0.000 2.404 448 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.214 448 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.214 448 G C 1.604 176.413 174.900 -0.151 0.000 1.189 448 G CA 1.057 46.068 45.100 -0.148 0.000 0.789 448 G HN 0.529 nan 8.290 nan 0.000 0.533 449 V N 0.763 120.595 119.914 -0.138 0.000 2.515 449 V HA 0.003 4.123 4.120 -0.000 0.000 0.250 449 V C 2.440 178.403 176.094 -0.217 0.000 1.058 449 V CA 1.428 63.635 62.300 -0.154 0.000 1.064 449 V CB -0.314 31.440 31.823 -0.115 0.000 0.675 449 V HN 0.221 nan 8.190 nan 0.000 0.461 450 R N 0.123 120.448 120.500 -0.291 0.000 2.310 450 R HA 0.268 4.608 4.340 -0.000 0.000 0.202 450 R C 1.569 177.575 176.300 -0.490 0.000 0.933 450 R CA 0.743 56.612 56.100 -0.386 0.000 1.054 450 R CB -0.348 29.665 30.300 -0.477 0.000 0.985 450 R HN 0.680 nan 8.270 nan 0.000 0.489 451 G N 0.633 109.216 108.800 -0.362 0.000 2.132 451 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.234 451 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.234 451 G C 0.397 175.071 174.900 -0.378 0.000 0.989 451 G CA 0.045 44.936 45.100 -0.348 0.000 0.676 451 G HN 0.405 nan 8.290 nan 0.000 0.522 452 Y N -0.200 119.979 120.300 -0.200 0.000 2.561 452 Y HA 0.316 4.866 4.550 -0.000 0.000 0.291 452 Y C 2.564 178.306 175.900 -0.263 0.000 1.141 452 Y CA 1.165 59.153 58.100 -0.186 0.000 1.303 452 Y CB 0.161 38.520 38.460 -0.168 0.000 1.015 452 Y HN 0.389 nan 8.280 nan 0.000 0.547 453 L N -0.961 120.138 121.223 -0.207 0.000 2.640 453 L HA 0.061 4.401 4.340 -0.000 0.000 0.230 453 L C 1.028 177.788 176.870 -0.182 0.000 1.123 453 L CA -0.005 54.652 54.840 -0.306 0.000 0.900 453 L CB -0.049 41.765 42.059 -0.409 0.000 1.146 453 L HN 0.040 nan 8.230 nan 0.000 0.484 454 D N 1.485 121.797 120.400 -0.148 0.000 2.182 454 D HA -0.161 4.479 4.640 -0.000 0.000 0.201 454 D C 1.519 177.775 176.300 -0.073 0.000 0.986 454 D CA 1.398 55.329 54.000 -0.115 0.000 0.847 454 D CB 0.130 40.859 40.800 -0.120 0.000 0.942 454 D HN 0.159 nan 8.370 nan 0.000 0.467 455 K N -0.486 119.884 120.400 -0.051 0.000 2.397 455 K HA 0.172 4.492 4.320 -0.000 0.000 0.202 455 K C -0.251 176.356 176.600 0.011 0.000 1.022 455 K CA -0.265 56.012 56.287 -0.016 0.000 1.141 455 K CB 0.488 32.986 32.500 -0.004 0.000 0.857 455 K HN -0.040 nan 8.250 nan 0.000 0.514 456 L N 1.604 122.829 121.223 0.003 0.000 2.375 456 L HA 0.197 4.537 4.340 -0.000 0.000 0.271 456 L C 0.277 177.170 176.870 0.037 0.000 1.107 456 L CA -0.329 54.543 54.840 0.053 0.000 0.806 456 L CB 0.835 42.921 42.059 0.045 0.000 1.146 456 L HN 0.152 nan 8.230 nan 0.000 0.447 457 E N 4.244 124.484 120.200 0.067 0.000 2.415 457 E HA -0.002 4.348 4.350 -0.000 0.000 0.263 457 E C -1.511 175.118 176.600 0.048 0.000 0.995 457 E CA -1.176 55.254 56.400 0.049 0.000 0.915 457 E CB 0.464 30.196 29.700 0.052 0.000 0.951 457 E HN 0.407 nan 8.360 nan 0.000 0.449 458 P HA -0.216 nan 4.420 nan 0.000 0.217 458 P C 1.155 178.474 177.300 0.033 0.000 1.148 458 P CA 1.307 64.414 63.100 0.012 0.000 0.828 458 P CB 0.169 31.874 31.700 0.008 0.000 0.783 459 S N -1.696 114.034 115.700 0.049 0.000 2.562 459 S HA 0.055 4.525 4.470 -0.000 0.000 0.221 459 S C 1.458 176.117 174.600 0.098 0.000 0.975 459 S CA 0.456 58.692 58.200 0.059 0.000 0.918 459 S CB -0.566 62.662 63.200 0.048 0.000 0.772 459 S HN 0.168 nan 8.310 nan 0.000 0.531 460 K N 0.301 120.786 120.400 0.141 0.000 2.358 460 K HA 0.329 4.649 4.320 -0.000 0.000 0.197 460 K C 0.903 177.676 176.600 0.289 0.000 1.025 460 K CA -0.212 56.232 56.287 0.262 0.000 1.104 460 K CB 0.129 32.837 32.500 0.347 0.000 0.855 460 K HN 0.291 nan 8.250 nan 0.000 0.531 461 I N 1.351 122.004 120.570 0.137 0.000 2.226 461 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 461 I C 1.928 178.109 176.117 0.107 0.000 1.100 461 I CA 1.689 63.022 61.300 0.056 0.000 1.374 461 I CB -1.293 36.691 38.000 -0.027 0.000 1.057 461 I HN 0.103 nan 8.210 nan 0.000 0.413 462 T N 0.953 115.569 114.554 0.103 0.000 2.684 462 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 462 T C 1.985 176.774 174.700 0.149 0.000 1.036 462 T CA 1.528 63.689 62.100 0.102 0.000 1.148 462 T CB -0.184 68.726 68.868 0.069 0.000 0.863 462 T HN 0.303 nan 8.240 nan 0.000 0.436 463 K N 0.173 120.695 120.400 0.203 0.000 2.063 463 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 463 K C 2.123 178.892 176.600 0.282 0.000 1.048 463 K CA 1.276 57.722 56.287 0.266 0.000 0.928 463 K CB -0.373 32.341 32.500 0.357 0.000 0.713 463 K HN 0.358 nan 8.250 nan 0.000 0.442 464 F N 2.153 122.104 119.950 0.001 0.000 2.069 464 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 464 F C 2.461 178.226 175.800 -0.060 0.000 1.113 464 F CA 2.108 59.895 58.000 -0.354 0.000 1.214 464 F CB -0.179 38.433 39.000 -0.647 0.000 0.978 464 F HN 0.197 nan 8.300 nan 0.000 0.474 465 E N 0.140 120.508 120.200 0.280 0.000 2.051 465 E HA -0.260 4.090 4.350 -0.000 0.000 0.192 465 E C 1.976 178.654 176.600 0.129 0.000 0.991 465 E CA 1.470 58.005 56.400 0.226 0.000 0.799 465 E CB -0.237 29.563 29.700 0.167 0.000 0.748 465 E HN 0.426 nan 8.360 nan 0.000 0.449 466 N N 0.588 119.354 118.700 0.110 0.000 2.094 466 N HA -0.193 4.546 4.740 -0.000 0.000 0.191 466 N C 1.654 177.212 175.510 0.080 0.000 1.023 466 N CA 1.534 54.634 53.050 0.083 0.000 0.857 466 N CB -0.478 38.062 38.487 0.089 0.000 1.013 466 N HN 0.251 nan 8.380 nan 0.000 0.426 467 A N 0.193 123.083 122.820 0.116 0.000 1.897 467 A HA -0.043 4.277 4.320 -0.000 0.000 0.215 467 A C 2.098 179.755 177.584 0.121 0.000 1.181 467 A CA 0.625 52.768 52.037 0.177 0.000 0.620 467 A CB -0.760 18.423 19.000 0.305 0.000 0.821 467 A HN 0.249 nan 8.150 nan 0.000 0.443 468 F N 0.334 120.087 119.950 -0.328 0.000 2.084 468 F HA -0.120 4.407 4.527 -0.000 0.000 0.296 468 F C 1.866 177.488 175.800 -0.295 0.000 1.111 468 F CA 1.672 59.224 58.000 -0.746 0.000 1.224 468 F CB -0.474 37.950 39.000 -0.961 0.000 0.991 468 F HN 0.197 nan 8.300 nan 0.000 0.471 469 L N 0.664 121.765 121.223 -0.203 0.000 1.989 469 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 469 L C 2.745 179.496 176.870 -0.199 0.000 1.071 469 L CA 2.534 57.244 54.840 -0.216 0.000 0.749 469 L CB -1.358 40.673 42.059 -0.047 0.000 0.890 469 L HN 0.370 nan 8.230 nan 0.000 0.431 470 S N -2.086 113.560 115.700 -0.089 0.000 2.419 470 S HA -0.293 4.177 4.470 -0.000 0.000 0.233 470 S C 2.050 176.624 174.600 -0.043 0.000 1.016 470 S CA 1.237 59.408 58.200 -0.049 0.000 0.974 470 S CB -0.982 62.222 63.200 0.008 0.000 0.786 470 S HN 0.771 nan 8.310 nan 0.000 0.492 471 H N 2.145 121.125 119.070 -0.150 0.000 2.333 471 H HA 0.058 4.614 4.556 -0.000 0.000 0.302 471 H C 2.091 177.321 175.328 -0.164 0.000 1.075 471 H CA 1.977 57.955 56.048 -0.116 0.000 1.348 471 H CB -0.495 29.247 29.762 -0.034 0.000 1.393 471 H HN 0.309 nan 8.280 nan 0.000 0.509 472 V N -0.948 118.637 119.914 -0.548 0.000 2.427 472 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 472 V C 2.423 178.336 176.094 -0.300 0.000 1.051 472 V CA 1.809 63.805 62.300 -0.506 0.000 1.048 472 V CB -0.881 30.546 31.823 -0.660 0.000 0.666 472 V HN 0.410 nan 8.190 nan 0.000 0.456 473 I N 1.152 121.572 120.570 -0.250 0.000 2.179 473 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 473 I C 2.956 178.982 176.117 -0.151 0.000 1.088 473 I CA 2.162 63.362 61.300 -0.165 0.000 1.357 473 I CB -0.392 37.533 38.000 -0.125 0.000 1.051 473 I HN 0.454 nan 8.210 nan 0.000 0.409 474 S N -0.484 115.123 115.700 -0.155 0.000 2.371 474 S HA -0.206 4.264 4.470 -0.000 0.000 0.224 474 S C 1.934 176.426 174.600 -0.181 0.000 1.029 474 S CA 1.500 59.624 58.200 -0.127 0.000 0.978 474 S CB 0.002 63.160 63.200 -0.071 0.000 0.833 474 S HN 0.466 nan 8.310 nan 0.000 0.466 475 Q N -1.555 118.067 119.800 -0.297 0.000 2.245 475 Q HA 0.212 4.552 4.340 -0.000 0.000 0.236 475 Q C -0.338 175.265 176.000 -0.662 0.000 0.842 475 Q CA 0.074 55.613 55.803 -0.439 0.000 0.945 475 Q CB 0.559 29.000 28.738 -0.496 0.000 1.122 475 Q HN 0.657 nan 8.270 nan 0.000 0.506 476 H N -0.484 118.420 119.070 -0.276 0.000 2.674 476 H HA 0.192 4.748 4.556 -0.000 0.000 0.235 476 H C 0.597 175.817 175.328 -0.181 0.000 1.330 476 H CA -0.283 55.630 56.048 -0.225 0.000 1.052 476 H CB 0.829 30.424 29.762 -0.277 0.000 1.954 476 H HN 0.029 nan 8.280 nan 0.000 0.566 477 Q N 0.672 120.416 119.800 -0.093 0.000 2.135 477 Q HA -0.113 4.227 4.340 -0.000 0.000 0.204 477 Q C 2.284 178.250 176.000 -0.056 0.000 0.981 477 Q CA 1.335 57.091 55.803 -0.078 0.000 0.856 477 Q CB -0.045 28.643 28.738 -0.082 0.000 0.902 477 Q HN 0.654 nan 8.270 nan 0.000 0.425 478 A N 0.761 123.554 122.820 -0.045 0.000 1.902 478 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 478 A C 2.141 179.708 177.584 -0.028 0.000 1.181 478 A CA 1.041 53.059 52.037 -0.032 0.000 0.623 478 A CB -0.700 18.285 19.000 -0.024 0.000 0.818 478 A HN 0.363 nan 8.150 nan 0.000 0.443 479 L N -0.589 120.622 121.223 -0.019 0.000 2.027 479 L HA -0.129 4.211 4.340 -0.000 0.000 0.206 479 L C 2.528 179.357 176.870 -0.068 0.000 1.074 479 L CA 1.395 56.207 54.840 -0.047 0.000 0.745 479 L CB -0.356 41.658 42.059 -0.075 0.000 0.898 479 L HN 0.430 nan 8.230 nan 0.000 0.433 480 L N -0.755 120.424 121.223 -0.072 0.000 2.046 480 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 480 L C 2.625 179.463 176.870 -0.054 0.000 1.077 480 L CA 1.365 56.160 54.840 -0.075 0.000 0.747 480 L CB -1.181 40.826 42.059 -0.087 0.000 0.896 480 L HN 0.340 nan 8.230 nan 0.000 0.432 481 G N -0.095 108.677 108.800 -0.047 0.000 2.440 481 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.218 481 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.218 481 G C 1.677 176.560 174.900 -0.029 0.000 1.154 481 G CA 0.934 46.013 45.100 -0.036 0.000 0.767 481 G HN 0.184 nan 8.290 nan 0.000 0.552 482 K N 0.306 120.687 120.400 -0.032 0.000 2.097 482 K HA 0.149 4.469 4.320 -0.000 0.000 0.205 482 K C 2.394 178.978 176.600 -0.027 0.000 1.050 482 K CA 0.661 56.931 56.287 -0.027 0.000 0.938 482 K CB -0.362 32.121 32.500 -0.029 0.000 0.718 482 K HN 0.381 nan 8.250 nan 0.000 0.442 483 I N 0.079 120.627 120.570 -0.036 0.000 2.226 483 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 483 I C 2.563 178.669 176.117 -0.019 0.000 1.100 483 I CA 1.116 62.397 61.300 -0.032 0.000 1.374 483 I CB -0.232 37.740 38.000 -0.046 0.000 1.057 483 I HN 0.201 nan 8.210 nan 0.000 0.413 484 R N 0.610 121.099 120.500 -0.018 0.000 2.075 484 R HA -0.170 4.170 4.340 -0.000 0.000 0.230 484 R C 2.357 178.656 176.300 -0.003 0.000 1.140 484 R CA 2.404 58.501 56.100 -0.005 0.000 0.928 484 R CB -0.464 29.832 30.300 -0.005 0.000 0.834 484 R HN 0.197 nan 8.270 nan 0.000 0.429 485 T N 1.180 115.730 114.554 -0.007 0.000 2.607 485 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 485 T C 1.233 175.928 174.700 -0.007 0.000 1.049 485 T CA 1.950 64.046 62.100 -0.007 0.000 1.162 485 T CB -0.503 68.359 68.868 -0.010 0.000 0.863 485 T HN 0.380 nan 8.240 nan 0.000 0.424 486 D N 0.302 120.696 120.400 -0.009 0.000 2.219 486 D HA 0.090 4.730 4.640 -0.000 0.000 0.205 486 D C 1.750 178.046 176.300 -0.007 0.000 0.970 486 D CA 1.130 55.125 54.000 -0.008 0.000 0.851 486 D CB -0.717 40.078 40.800 -0.009 0.000 0.943 486 D HN 0.555 nan 8.370 nan 0.000 0.488 487 G N 0.748 109.544 108.800 -0.007 0.000 2.166 487 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.260 487 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.260 487 G C 0.212 175.110 174.900 -0.002 0.000 0.986 487 G CA 1.112 46.209 45.100 -0.006 0.000 0.683 487 G HN 0.570 nan 8.290 nan 0.000 0.527 488 K N -1.288 119.111 120.400 -0.002 0.000 2.522 488 K HA 0.785 5.105 4.320 -0.000 0.000 0.275 488 K C -0.627 175.974 176.600 0.001 0.000 1.006 488 K CA -1.466 54.823 56.287 0.003 0.000 0.890 488 K CB 1.504 34.007 32.500 0.004 0.000 1.475 488 K HN 0.071 nan 8.250 nan 0.000 0.441 489 I N 2.789 123.365 120.570 0.011 0.000 2.287 489 I HA 0.103 4.273 4.170 -0.000 0.000 0.290 489 I C 0.333 176.457 176.117 0.011 0.000 1.069 489 I CA -0.540 60.763 61.300 0.005 0.000 1.237 489 I CB 1.256 39.271 38.000 0.026 0.000 1.418 489 I HN 0.786 nan 8.210 nan 0.000 0.481 490 S N 3.641 119.340 115.700 -0.001 0.000 2.596 490 S HA 0.123 4.593 4.470 -0.000 0.000 0.260 490 S C 0.960 175.567 174.600 0.011 0.000 1.336 490 S CA -0.378 57.825 58.200 0.004 0.000 0.993 490 S CB 0.987 64.185 63.200 -0.003 0.000 0.923 490 S HN 0.657 nan 8.310 nan 0.000 0.567 491 E N 0.246 120.456 120.200 0.016 0.000 2.204 491 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 491 E C 1.952 178.562 176.600 0.017 0.000 0.990 491 E CA 1.278 57.692 56.400 0.024 0.000 0.821 491 E CB -0.086 29.627 29.700 0.022 0.000 0.750 491 E HN 0.868 nan 8.360 nan 0.000 0.477 492 E N 0.323 120.527 120.200 0.006 0.000 2.046 492 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 492 E C 1.935 178.525 176.600 -0.017 0.000 0.982 492 E CA 1.092 57.491 56.400 -0.001 0.000 0.800 492 E CB 0.116 29.814 29.700 -0.003 0.000 0.756 492 E HN 0.012 nan 8.360 nan 0.000 0.449 493 S N 0.728 116.410 115.700 -0.030 0.000 2.382 493 S HA -0.179 4.291 4.470 -0.000 0.000 0.228 493 S C 1.522 176.063 174.600 -0.097 0.000 1.027 493 S CA 1.362 59.522 58.200 -0.068 0.000 0.991 493 S CB -0.345 62.812 63.200 -0.071 0.000 0.823 493 S HN 0.369 nan 8.310 nan 0.000 0.469 494 D N 1.434 121.811 120.400 -0.038 0.000 2.117 494 D HA -0.034 4.606 4.640 -0.000 0.000 0.197 494 D C 1.975 178.299 176.300 0.040 0.000 0.987 494 D CA 1.325 55.336 54.000 0.019 0.000 0.829 494 D CB -0.310 40.553 40.800 0.103 0.000 0.961 494 D HN 0.317 nan 8.370 nan 0.000 0.460 495 A N 0.344 123.181 122.820 0.029 0.000 1.898 495 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 495 A C 2.152 179.738 177.584 0.003 0.000 1.181 495 A CA 1.454 53.513 52.037 0.036 0.000 0.620 495 A CB -0.394 18.624 19.000 0.030 0.000 0.819 495 A HN 0.188 nan 8.150 nan 0.000 0.442 496 K N -0.425 119.952 120.400 -0.038 0.000 2.057 496 K HA -0.019 4.301 4.320 -0.000 0.000 0.207 496 K C 1.867 178.387 176.600 -0.133 0.000 1.049 496 K CA 1.298 57.542 56.287 -0.071 0.000 0.931 496 K CB -0.374 32.078 32.500 -0.080 0.000 0.714 496 K HN 0.431 nan 8.250 nan 0.000 0.440 497 L N 1.137 122.245 121.223 -0.193 0.000 2.042 497 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 497 L C 2.574 179.374 176.870 -0.117 0.000 1.076 497 L CA 1.353 56.025 54.840 -0.279 0.000 0.749 497 L CB -0.293 41.341 42.059 -0.708 0.000 0.893 497 L HN 0.160 nan 8.230 nan 0.000 0.432 498 K N 0.192 120.598 120.400 0.011 0.000 2.026 498 K HA -0.269 4.051 4.320 -0.000 0.000 0.208 498 K C 2.094 178.713 176.600 0.031 0.000 1.048 498 K CA 1.802 58.152 56.287 0.105 0.000 0.929 498 K CB -0.072 32.543 32.500 0.192 0.000 0.713 498 K HN 0.263 nan 8.250 nan 0.000 0.439 499 E N 0.500 120.716 120.200 0.027 0.000 2.058 499 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 499 E C 1.953 178.577 176.600 0.039 0.000 0.997 499 E CA 1.617 58.039 56.400 0.038 0.000 0.801 499 E CB -0.113 29.608 29.700 0.035 0.000 0.746 499 E HN 0.374 nan 8.360 nan 0.000 0.450 500 I N 1.030 121.600 120.570 -0.000 0.000 2.142 500 I HA -0.257 3.913 4.170 -0.000 0.000 0.240 500 I C 2.683 178.880 176.117 0.133 0.000 1.078 500 I CA 1.349 62.681 61.300 0.054 0.000 1.343 500 I CB -0.457 37.484 38.000 -0.099 0.000 1.046 500 I HN 0.173 nan 8.210 nan 0.000 0.405 501 V N -1.027 118.882 119.914 -0.009 0.000 2.358 501 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 501 V C 2.579 178.613 176.094 -0.100 0.000 1.047 501 V CA 2.136 64.333 62.300 -0.172 0.000 1.035 501 V CB -1.902 29.521 31.823 -0.667 0.000 0.658 501 V HN 0.595 nan 8.190 nan 0.000 0.452 502 T N -0.886 113.613 114.554 -0.092 0.000 2.708 502 T HA -0.202 4.148 4.350 -0.000 0.000 0.266 502 T C 1.870 176.651 174.700 0.136 0.000 1.037 502 T CA 1.853 64.005 62.100 0.086 0.000 1.146 502 T CB -0.839 68.115 68.868 0.143 0.000 0.865 502 T HN 0.512 nan 8.240 nan 0.000 0.435 503 N N 0.809 119.586 118.700 0.128 0.000 2.142 503 N HA 0.009 4.749 4.740 -0.000 0.000 0.186 503 N C 1.560 177.158 175.510 0.146 0.000 1.023 503 N CA 1.125 54.249 53.050 0.125 0.000 0.852 503 N CB -0.643 37.912 38.487 0.113 0.000 0.998 503 N HN 0.496 nan 8.380 nan 0.000 0.424 504 F N 2.087 122.065 119.950 0.046 0.000 2.171 504 F HA -0.093 4.434 4.527 0.000 0.000 0.300 504 F C 2.233 178.093 175.800 0.100 0.000 1.090 504 F CA 0.899 58.915 58.000 0.026 0.000 1.293 504 F CB -0.097 38.923 39.000 0.033 0.000 1.013 504 F HN -0.024 nan 8.300 nan 0.000 0.486 505 L N 0.194 121.658 121.223 0.401 0.000 2.027 505 L HA -0.127 4.213 4.340 -0.000 0.000 0.206 505 L C 2.542 179.568 176.870 0.259 0.000 1.074 505 L CA 1.837 56.934 54.840 0.429 0.000 0.745 505 L CB -1.295 40.987 42.059 0.371 0.000 0.898 505 L HN 0.284 nan 8.230 nan 0.000 0.433 506 A N -0.037 122.883 122.820 0.167 0.000 1.948 506 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 506 A C 2.290 179.903 177.584 0.049 0.000 1.177 506 A CA 1.789 53.887 52.037 0.101 0.000 0.636 506 A CB -1.248 17.800 19.000 0.079 0.000 0.815 506 A HN 0.552 nan 8.150 nan 0.000 0.449 507 G N -1.862 106.936 108.800 -0.004 0.000 2.394 507 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.215 507 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.215 507 G C 1.443 176.290 174.900 -0.089 0.000 1.165 507 G CA 0.993 46.040 45.100 -0.088 0.000 0.784 507 G HN 0.472 nan 8.290 nan 0.000 0.535 508 F N 1.287 121.104 119.950 -0.221 0.000 2.186 508 F HA 0.088 4.615 4.527 0.000 0.000 0.299 508 F C 2.632 178.429 175.800 -0.006 0.000 1.090 508 F CA 1.600 59.520 58.000 -0.134 0.000 1.307 508 F CB 0.097 39.084 39.000 -0.022 0.000 1.019 508 F HN 0.210 nan 8.300 nan 0.000 0.489 509 E N 0.369 120.667 120.200 0.162 0.000 2.028 509 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 509 E C 1.116 177.702 176.600 -0.023 0.000 0.988 509 E CA 0.781 57.236 56.400 0.093 0.000 0.799 509 E CB -0.269 29.505 29.700 0.124 0.000 0.755 509 E HN 0.380 nan 8.360 nan 0.000 0.447 510 A N 0.000 122.802 122.820 -0.030 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 52.008 52.037 -0.048 0.000 0.836 510 A CB 0.000 18.985 19.000 -0.025 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486