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 3d4g_1_C DATA FIRST_RESID 3 DATA SEQUENCE TEEGKLVIWI NGDKGYNGLA EVGKKFEKDT GIKVTVEHPD KLEEKFPQVA DATA SEQUENCE ATGDGPDIIF WAHDRFGGYA QSGLLAEITP DKAFQDKLYP FTWDAVRYNG DATA SEQUENCE KLIAYPIAVE ALSLIYNKDL LPNPPKTWEE IPALDKELKA KGKSALMFNL DATA SEQUENCE QEPYFTWPLI AADGGYAFKY ENGKYDIKDV GVDNAGAKAG LTFLVDLIKN DATA SEQUENCE KHMNADTDYS IAEAAFNKGE TAMTINGPWA WSNIDTSKVN YGVTVLPTFK DATA SEQUENCE GQPSKPFVGV LSAGINAASP NKELAKEFLE NYLLTDEGLE AVNKDKPLGA DATA SEQUENCE VALKSYEEEL AKDPRIAATM ENAQKGEIMP NIPQMSAFWY AVRTAVINAA DATA SEQUENCE SGRQTVDAAL AAAQTNAAAV KVEcLEAELV VTVSRDLFGT GKLVQPGDLT DATA SEQUENCE LGSEGcQPRV SVDTDVVRFN AQLHEcSSRV QMTKDALVYS TFLLHDPRPV DATA SEQUENCE SGLSILRTNR VEVPIEcRYP R 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.675 174.700 -0.041 0.000 1.109 3 T CA 0.000 62.067 62.100 -0.056 0.000 1.349 3 T CB 0.000 68.819 68.868 -0.081 0.000 0.612 4 E N 1.779 121.960 120.200 -0.030 0.000 2.283 4 E HA 0.615 4.965 4.350 0.001 0.000 0.267 4 E C -0.109 176.480 176.600 -0.019 0.000 1.045 4 E CA -1.037 55.350 56.400 -0.022 0.000 0.884 4 E CB 1.604 31.295 29.700 -0.015 0.000 1.106 4 E HN 0.630 nan 8.360 nan 0.000 0.408 5 E N 0.378 120.571 120.200 -0.013 0.000 2.319 5 E HA 0.357 4.707 4.350 0.001 0.000 0.268 5 E C 0.279 176.878 176.600 -0.002 0.000 1.050 5 E CA 0.168 56.564 56.400 -0.007 0.000 0.878 5 E CB 0.656 30.353 29.700 -0.005 0.000 1.066 5 E HN 0.804 nan 8.360 nan 0.000 0.406 6 G N 2.967 111.770 108.800 0.005 0.000 2.141 6 G HA2 -0.260 3.701 3.960 0.001 0.000 0.242 6 G HA3 -0.260 3.701 3.960 0.001 0.000 0.242 6 G C -0.229 174.680 174.900 0.016 0.000 0.982 6 G CA 0.636 45.742 45.100 0.011 0.000 0.662 6 G HN 0.683 nan 8.290 nan 0.000 0.527 7 K N -1.332 119.075 120.400 0.012 0.000 2.571 7 K HA 0.816 5.136 4.320 0.001 0.000 0.289 7 K C -1.468 175.119 176.600 -0.021 0.000 1.028 7 K CA -1.333 54.959 56.287 0.008 0.000 0.895 7 K CB 1.173 33.672 32.500 -0.001 0.000 1.534 7 K HN 0.251 nan 8.250 nan 0.000 0.421 8 L N 1.808 122.996 121.223 -0.058 0.000 2.376 8 L HA 0.467 4.808 4.340 0.001 0.000 0.275 8 L C -1.150 175.648 176.870 -0.120 0.000 0.987 8 L CA -1.233 53.529 54.840 -0.130 0.000 0.828 8 L CB 2.182 44.071 42.059 -0.284 0.000 1.249 8 L HN 0.397 nan 8.230 nan 0.000 0.409 9 V N 4.931 124.791 119.914 -0.089 0.000 2.398 9 V HA 0.491 4.611 4.120 0.001 0.000 0.286 9 V C 0.047 176.117 176.094 -0.040 0.000 1.026 9 V CA -0.303 61.972 62.300 -0.042 0.000 0.868 9 V CB 1.905 33.715 31.823 -0.021 0.000 0.982 9 V HN 0.499 nan 8.190 nan 0.000 0.443 10 I N 3.713 124.318 120.570 0.058 0.000 2.465 10 I HA 0.444 4.615 4.170 0.001 0.000 0.291 10 I C -1.143 175.210 176.117 0.393 0.000 1.014 10 I CA -0.441 60.955 61.300 0.158 0.000 1.093 10 I CB 2.157 40.229 38.000 0.121 0.000 1.267 10 I HN 0.508 nan 8.210 nan 0.000 0.431 11 W N 7.221 128.601 121.300 0.132 0.000 2.478 11 W HA 0.698 5.359 4.660 0.001 0.000 0.318 11 W C -0.386 176.258 176.519 0.208 0.000 1.062 11 W CA -0.995 56.419 57.345 0.116 0.000 1.210 11 W CB 1.300 30.811 29.460 0.084 0.000 1.325 11 W HN 0.212 nan 8.180 nan 0.000 0.496 12 I N 3.240 123.994 120.570 0.307 0.000 2.827 12 I HA 0.283 4.454 4.170 0.001 0.000 0.298 12 I C -0.385 175.818 176.117 0.143 0.000 1.235 12 I CA -0.850 60.576 61.300 0.210 0.000 1.021 12 I CB 1.752 39.706 38.000 -0.078 0.000 1.259 12 I HN 0.256 nan 8.210 nan 0.000 0.427 13 N N 3.476 122.247 118.700 0.118 0.000 2.479 13 N HA 0.187 4.928 4.740 0.001 0.000 0.257 13 N C 1.070 176.564 175.510 -0.027 0.000 1.232 13 N CA 1.141 54.213 53.050 0.038 0.000 0.920 13 N CB 1.516 39.896 38.487 -0.177 0.000 1.105 13 N HN 0.746 nan 8.380 nan 0.000 0.444 14 G N 0.989 109.765 108.800 -0.039 0.000 2.498 14 G HA2 -0.231 3.729 3.960 0.001 0.000 0.219 14 G HA3 -0.231 3.729 3.960 0.001 0.000 0.219 14 G C 0.694 175.585 174.900 -0.015 0.000 1.119 14 G CA 0.905 45.971 45.100 -0.057 0.000 0.766 14 G HN 0.827 nan 8.290 nan 0.000 0.552 15 D N -0.458 119.832 120.400 -0.184 0.000 2.340 15 D HA 0.065 4.705 4.640 0.001 0.000 0.220 15 D C 0.857 177.038 176.300 -0.199 0.000 1.039 15 D CA 0.189 54.038 54.000 -0.252 0.000 0.866 15 D CB 0.211 40.672 40.800 -0.564 0.000 0.913 15 D HN 0.002 nan 8.370 nan 0.000 0.523 16 K N 0.192 120.501 120.400 -0.152 0.000 2.177 16 K HA 0.517 4.838 4.320 0.001 0.000 0.238 16 K C 0.868 177.402 176.600 -0.110 0.000 1.015 16 K CA -0.742 55.479 56.287 -0.111 0.000 0.922 16 K CB 0.812 33.234 32.500 -0.130 0.000 1.127 16 K HN 0.019 nan 8.250 nan 0.000 0.469 17 G N 1.841 110.576 108.800 -0.108 0.000 3.102 17 G HA2 0.062 4.023 3.960 0.001 0.000 0.264 17 G HA3 0.062 4.023 3.960 0.001 0.000 0.264 17 G C 0.706 175.505 174.900 -0.169 0.000 0.788 17 G CA -0.088 44.911 45.100 -0.169 0.000 2.029 17 G HN 0.593 nan 8.290 nan 0.000 0.608 18 Y N -0.620 119.611 120.300 -0.114 0.000 2.373 18 Y HA 0.012 4.562 4.550 0.001 0.000 0.293 18 Y C 1.990 177.863 175.900 -0.045 0.000 1.129 18 Y CA 0.703 58.742 58.100 -0.102 0.000 1.226 18 Y CB -0.499 37.895 38.460 -0.110 0.000 1.000 18 Y HN 0.355 nan 8.280 nan 0.000 0.549 19 N N 0.746 119.340 118.700 -0.178 0.000 2.188 19 N HA -0.049 4.692 4.740 0.001 0.000 0.184 19 N C 2.185 177.690 175.510 -0.008 0.000 1.018 19 N CA 1.107 54.134 53.050 -0.038 0.000 0.858 19 N CB -0.456 37.956 38.487 -0.126 0.000 0.989 19 N HN 0.539 nan 8.380 nan 0.000 0.426 20 G N 1.186 109.957 108.800 -0.048 0.000 2.418 20 G HA2 -0.212 3.749 3.960 0.001 0.000 0.217 20 G HA3 -0.212 3.749 3.960 0.001 0.000 0.217 20 G C 1.429 176.347 174.900 0.029 0.000 1.158 20 G CA 0.371 45.467 45.100 -0.007 0.000 0.771 20 G HN 0.144 nan 8.290 nan 0.000 0.545 21 L N 1.461 122.697 121.223 0.022 0.000 2.079 21 L HA 0.084 4.425 4.340 0.001 0.000 0.210 21 L C 3.034 179.984 176.870 0.133 0.000 1.081 21 L CA 2.053 56.932 54.840 0.064 0.000 0.752 21 L CB -0.655 41.390 42.059 -0.023 0.000 0.896 21 L HN 0.243 nan 8.230 nan 0.000 0.433 22 A N -1.060 121.826 122.820 0.109 0.000 1.972 22 A HA -0.211 4.110 4.320 0.001 0.000 0.219 22 A C 2.154 179.810 177.584 0.120 0.000 1.169 22 A CA 1.673 53.779 52.037 0.115 0.000 0.635 22 A CB -0.534 18.536 19.000 0.117 0.000 0.810 22 A HN 0.602 nan 8.150 nan 0.000 0.446 23 E N -0.377 119.885 120.200 0.103 0.000 2.077 23 E HA -0.116 4.235 4.350 0.001 0.000 0.193 23 E C 1.918 178.603 176.600 0.143 0.000 0.989 23 E CA 1.249 57.710 56.400 0.102 0.000 0.800 23 E CB -0.234 29.508 29.700 0.070 0.000 0.746 23 E HN 0.405 nan 8.360 nan 0.000 0.452 24 V N 0.736 120.748 119.914 0.164 0.000 2.407 24 V HA -0.196 3.925 4.120 0.001 0.000 0.248 24 V C 2.294 178.617 176.094 0.382 0.000 1.055 24 V CA 1.931 64.366 62.300 0.224 0.000 1.049 24 V CB -0.874 31.037 31.823 0.146 0.000 0.662 24 V HN 0.415 nan 8.190 nan 0.000 0.455 25 G N -0.470 108.553 108.800 0.373 0.000 2.408 25 G HA2 -0.174 3.787 3.960 0.001 0.000 0.217 25 G HA3 -0.174 3.787 3.960 0.001 0.000 0.217 25 G C 1.663 176.706 174.900 0.239 0.000 1.150 25 G CA 0.382 45.667 45.100 0.308 0.000 0.776 25 G HN 0.376 nan 8.290 nan 0.000 0.542 26 K N 0.542 121.051 120.400 0.182 0.000 2.057 26 K HA -0.082 4.238 4.320 0.001 0.000 0.207 26 K C 2.359 179.051 176.600 0.153 0.000 1.049 26 K CA 1.285 57.655 56.287 0.138 0.000 0.931 26 K CB -0.232 32.333 32.500 0.107 0.000 0.714 26 K HN 0.360 nan 8.250 nan 0.000 0.440 27 K N 0.285 120.806 120.400 0.200 0.000 2.057 27 K HA -0.148 4.172 4.320 0.001 0.000 0.207 27 K C 2.099 178.847 176.600 0.247 0.000 1.049 27 K CA 1.018 57.443 56.287 0.229 0.000 0.931 27 K CB -0.263 32.407 32.500 0.282 0.000 0.714 27 K HN -0.038 nan 8.250 nan 0.000 0.440 28 F N 2.261 122.235 119.950 0.041 0.000 2.126 28 F HA -0.208 4.320 4.527 0.001 0.000 0.299 28 F C 2.227 177.952 175.800 -0.126 0.000 1.096 28 F CA 2.085 59.915 58.000 -0.284 0.000 1.255 28 F CB -0.183 38.694 39.000 -0.206 0.000 0.997 28 F HN 0.221 nan 8.300 nan 0.000 0.479 29 E N 0.165 120.392 120.200 0.046 0.000 2.072 29 E HA -0.266 4.085 4.350 0.001 0.000 0.191 29 E C 2.352 178.919 176.600 -0.056 0.000 0.985 29 E CA 1.197 57.582 56.400 -0.026 0.000 0.801 29 E CB -0.220 29.509 29.700 0.048 0.000 0.750 29 E HN 0.432 nan 8.360 nan 0.000 0.452 30 K N 0.288 120.687 120.400 -0.002 0.000 2.032 30 K HA -0.203 4.118 4.320 0.001 0.000 0.209 30 K C 1.465 178.052 176.600 -0.020 0.000 1.048 30 K CA 2.096 58.388 56.287 0.007 0.000 0.927 30 K CB 0.018 32.548 32.500 0.049 0.000 0.712 30 K HN 0.078 nan 8.250 nan 0.000 0.441 31 D N -0.851 119.532 120.400 -0.029 0.000 2.162 31 D HA -0.058 4.583 4.640 0.001 0.000 0.203 31 D C 1.465 177.689 176.300 -0.126 0.000 0.967 31 D CA 1.275 55.259 54.000 -0.027 0.000 0.840 31 D CB 0.059 40.918 40.800 0.098 0.000 0.972 31 D HN 0.259 nan 8.370 nan 0.000 0.482 32 T N -1.870 112.511 114.554 -0.288 0.000 3.000 32 T HA 0.334 4.685 4.350 0.001 0.000 0.248 32 T C 1.549 176.115 174.700 -0.223 0.000 1.034 32 T CA 0.597 62.487 62.100 -0.350 0.000 1.060 32 T CB 1.110 69.507 68.868 -0.785 0.000 0.983 32 T HN 0.237 nan 8.240 nan 0.000 0.482 33 G N 1.479 110.173 108.800 -0.177 0.000 2.199 33 G HA2 -0.210 3.750 3.960 0.001 0.000 0.254 33 G HA3 -0.210 3.750 3.960 0.001 0.000 0.254 33 G C -0.026 174.831 174.900 -0.071 0.000 0.982 33 G CA -0.313 44.731 45.100 -0.093 0.000 0.632 33 G HN 0.460 nan 8.290 nan 0.000 0.529 34 I N 1.705 122.212 120.570 -0.105 0.000 2.352 34 I HA 0.365 4.535 4.170 0.001 0.000 0.290 34 I C 0.732 176.889 176.117 0.066 0.000 1.036 34 I CA -0.652 60.646 61.300 -0.003 0.000 1.336 34 I CB 1.452 39.492 38.000 0.066 0.000 1.407 34 I HN 0.191 nan 8.210 nan 0.000 0.497 35 K N 5.289 125.716 120.400 0.046 0.000 2.326 35 K HA 0.467 4.788 4.320 0.001 0.000 0.275 35 K C -1.143 175.476 176.600 0.032 0.000 1.018 35 K CA -0.306 56.007 56.287 0.042 0.000 0.962 35 K CB 0.717 33.229 32.500 0.021 0.000 0.953 35 K HN 0.402 nan 8.250 nan 0.000 0.475 36 V N 3.693 123.616 119.914 0.015 0.000 2.407 36 V HA 0.217 4.338 4.120 0.001 0.000 0.291 36 V C -0.653 175.415 176.094 -0.043 0.000 1.018 36 V CA -0.767 61.487 62.300 -0.077 0.000 0.842 36 V CB 1.771 33.492 31.823 -0.169 0.000 0.996 36 V HN 0.837 nan 8.190 nan 0.000 0.426 37 T N 4.706 119.234 114.554 -0.043 0.000 2.788 37 T HA 0.473 4.823 4.350 0.001 0.000 0.296 37 T C -0.202 174.511 174.700 0.021 0.000 1.009 37 T CA -0.294 61.807 62.100 0.002 0.000 0.949 37 T CB 1.310 70.189 68.868 0.017 0.000 0.946 37 T HN 0.326 nan 8.240 nan 0.000 0.453 38 V N 4.729 124.667 119.914 0.041 0.000 2.407 38 V HA 0.405 4.526 4.120 0.001 0.000 0.278 38 V C 0.217 176.352 176.094 0.068 0.000 1.037 38 V CA -0.560 61.783 62.300 0.072 0.000 0.900 38 V CB 1.144 33.018 31.823 0.086 0.000 0.983 38 V HN 0.830 nan 8.190 nan 0.000 0.459 39 E N 3.448 123.696 120.200 0.081 0.000 2.312 39 E HA 0.501 4.851 4.350 0.001 0.000 0.267 39 E C -0.969 175.531 176.600 -0.167 0.000 0.894 39 E CA -0.731 55.615 56.400 -0.090 0.000 0.773 39 E CB 2.104 31.755 29.700 -0.081 0.000 1.241 39 E HN 0.895 nan 8.360 nan 0.000 0.432 40 H N 0.042 118.880 119.070 -0.387 0.000 2.336 40 H HA 0.327 4.883 4.556 0.001 0.000 0.230 40 H C -2.666 172.420 175.328 -0.403 0.000 1.426 40 H CA -2.217 53.590 56.048 -0.401 0.000 1.359 40 H CB -0.308 29.122 29.762 -0.554 0.000 1.555 40 H HN 0.231 nan 8.280 nan 0.000 0.512 41 P HA 0.042 nan 4.420 nan 0.000 0.272 41 P C 0.145 177.239 177.300 -0.343 0.000 1.223 41 P CA -0.114 62.647 63.100 -0.564 0.000 0.784 41 P CB 1.385 32.546 31.700 -0.897 0.000 0.923 42 D N 1.563 121.816 120.400 -0.244 0.000 2.372 42 D HA 0.025 4.666 4.640 0.001 0.000 0.243 42 D C 0.414 176.624 176.300 -0.150 0.000 1.121 42 D CA 0.178 54.094 54.000 -0.140 0.000 0.898 42 D CB 0.256 41.001 40.800 -0.091 0.000 1.202 42 D HN 0.230 nan 8.370 nan 0.000 0.428 43 K N 1.945 122.284 120.400 -0.102 0.000 3.069 43 K HA -0.195 4.126 4.320 0.001 0.000 0.267 43 K C 1.200 177.694 176.600 -0.177 0.000 1.082 43 K CA 0.721 56.933 56.287 -0.126 0.000 0.782 43 K CB -2.074 30.367 32.500 -0.100 0.000 1.230 43 K HN 0.520 nan 8.250 nan 0.000 0.488 44 L N -0.224 120.881 121.223 -0.196 0.000 2.131 44 L HA -0.109 4.231 4.340 0.001 0.000 0.210 44 L C 2.307 179.105 176.870 -0.120 0.000 1.092 44 L CA 2.131 56.880 54.840 -0.151 0.000 0.759 44 L CB -0.453 41.545 42.059 -0.101 0.000 0.903 44 L HN 0.274 nan 8.230 nan 0.000 0.435 45 E N 1.056 120.946 120.200 -0.517 0.000 2.204 45 E HA -0.258 4.093 4.350 0.001 0.000 0.195 45 E C 1.580 178.042 176.600 -0.231 0.000 0.990 45 E CA 1.835 57.839 56.400 -0.660 0.000 0.821 45 E CB -0.428 28.314 29.700 -1.596 0.000 0.750 45 E HN 0.832 nan 8.360 nan 0.000 0.477 46 E N 0.711 120.799 120.200 -0.186 0.000 2.140 46 E HA 0.026 4.376 4.350 0.001 0.000 0.191 46 E C 2.108 178.693 176.600 -0.025 0.000 0.973 46 E CA 0.333 56.685 56.400 -0.081 0.000 0.829 46 E CB 0.104 29.748 29.700 -0.093 0.000 0.781 46 E HN 0.226 nan 8.360 nan 0.000 0.466 47 K N 0.561 120.965 120.400 0.007 0.000 2.103 47 K HA -0.098 4.223 4.320 0.001 0.000 0.204 47 K C 1.952 178.646 176.600 0.156 0.000 1.052 47 K CA 0.841 57.180 56.287 0.086 0.000 0.945 47 K CB -0.193 32.362 32.500 0.091 0.000 0.722 47 K HN 0.019 nan 8.250 nan 0.000 0.443 48 F N 3.406 123.396 119.950 0.068 0.000 2.043 48 F HA -0.184 4.343 4.527 0.001 0.000 0.297 48 F C -1.130 174.490 175.800 -0.300 0.000 1.121 48 F CA 1.387 59.291 58.000 -0.160 0.000 1.199 48 F CB -1.034 37.726 39.000 -0.400 0.000 0.968 48 F HN -0.014 nan 8.300 nan 0.000 0.478 49 P HA -0.184 nan 4.420 nan 0.000 0.220 49 P C 1.167 178.279 177.300 -0.313 0.000 1.148 49 P CA 1.755 64.601 63.100 -0.424 0.000 0.803 49 P CB -0.246 31.396 31.700 -0.096 0.000 0.782 50 Q N -0.052 119.625 119.800 -0.205 0.000 2.046 50 Q HA -0.083 4.258 4.340 0.001 0.000 0.200 50 Q C 2.320 178.212 176.000 -0.180 0.000 0.975 50 Q CA 1.928 57.645 55.803 -0.144 0.000 0.836 50 Q CB -0.640 28.054 28.738 -0.073 0.000 0.896 50 Q HN 0.232 nan 8.270 nan 0.000 0.428 51 V N -2.294 117.494 119.914 -0.211 0.000 2.488 51 V HA 0.052 4.173 4.120 0.001 0.000 0.246 51 V C 2.171 178.062 176.094 -0.338 0.000 1.046 51 V CA 1.285 63.459 62.300 -0.211 0.000 1.053 51 V CB -1.066 30.681 31.823 -0.126 0.000 0.679 51 V HN 0.245 nan 8.190 nan 0.000 0.458 52 A N 0.963 123.430 122.820 -0.589 0.000 1.972 52 A HA 0.054 4.374 4.320 0.001 0.000 0.219 52 A C 2.438 179.785 177.584 -0.395 0.000 1.169 52 A CA 2.225 53.864 52.037 -0.663 0.000 0.635 52 A CB -0.974 17.239 19.000 -1.311 0.000 0.810 52 A HN 0.942 nan 8.150 nan 0.000 0.446 53 A N -0.305 122.319 122.820 -0.327 0.000 2.015 53 A HA -0.050 4.271 4.320 0.001 0.000 0.219 53 A C 2.245 179.738 177.584 -0.152 0.000 1.163 53 A CA 2.126 54.041 52.037 -0.203 0.000 0.646 53 A CB -1.140 17.761 19.000 -0.164 0.000 0.806 53 A HN 0.795 nan 8.150 nan 0.000 0.448 54 T N -4.443 110.019 114.554 -0.154 0.000 3.148 54 T HA 0.385 4.736 4.350 0.001 0.000 0.253 54 T C 1.330 175.963 174.700 -0.112 0.000 1.134 54 T CA 1.085 63.117 62.100 -0.114 0.000 1.051 54 T CB -0.040 68.768 68.868 -0.100 0.000 0.959 54 T HN 1.657 nan 8.240 nan 0.000 0.525 55 G N 0.743 109.460 108.800 -0.140 0.000 2.157 55 G HA2 -0.182 3.778 3.960 0.001 0.000 0.239 55 G HA3 -0.182 3.778 3.960 0.001 0.000 0.239 55 G C -0.189 174.631 174.900 -0.134 0.000 0.982 55 G CA 0.153 45.179 45.100 -0.123 0.000 0.650 55 G HN 0.582 nan 8.290 nan 0.000 0.527 56 D N -0.007 120.295 120.400 -0.164 0.000 2.538 56 D HA 0.637 5.278 4.640 0.001 0.000 0.262 56 D C 1.134 177.292 176.300 -0.237 0.000 1.186 56 D CA 0.831 54.737 54.000 -0.158 0.000 1.090 56 D CB 0.217 40.947 40.800 -0.117 0.000 1.187 56 D HN 1.416 nan 8.370 nan 0.000 0.614 57 G N 0.355 109.005 108.800 -0.250 0.000 2.757 57 G HA2 -0.088 3.873 3.960 0.001 0.000 0.638 57 G HA3 -0.088 3.873 3.960 0.001 0.000 0.638 57 G C -2.829 171.810 174.900 -0.436 0.000 1.344 57 G CA -0.730 44.110 45.100 -0.435 0.000 0.855 57 G HN 0.384 nan 8.290 nan 0.000 0.537 58 P HA 0.289 nan 4.420 nan 0.000 0.276 58 P C 0.160 177.310 177.300 -0.250 0.000 1.252 58 P CA -0.159 62.617 63.100 -0.541 0.000 0.802 58 P CB 0.873 31.990 31.700 -0.971 0.000 1.035 59 D N 0.080 120.383 120.400 -0.161 0.000 2.117 59 D HA 0.012 4.653 4.640 0.001 0.000 0.198 59 D C 0.727 176.993 176.300 -0.058 0.000 0.982 59 D CA 1.491 55.439 54.000 -0.087 0.000 0.828 59 D CB 0.255 41.007 40.800 -0.080 0.000 0.967 59 D HN 0.361 nan 8.370 nan 0.000 0.464 60 I N 0.846 121.377 120.570 -0.065 0.000 2.545 60 I HA 0.360 4.531 4.170 0.001 0.000 0.292 60 I C -0.588 175.523 176.117 -0.010 0.000 1.040 60 I CA -0.795 60.495 61.300 -0.018 0.000 1.068 60 I CB 3.238 41.276 38.000 0.063 0.000 1.251 60 I HN -0.188 nan 8.210 nan 0.000 0.424 61 I N 5.138 125.657 120.570 -0.084 0.000 2.466 61 I HA 0.468 4.638 4.170 0.001 0.000 0.289 61 I C -1.527 174.688 176.117 0.163 0.000 1.026 61 I CA -0.453 60.822 61.300 -0.042 0.000 1.078 61 I CB 1.367 38.950 38.000 -0.695 0.000 1.249 61 I HN 0.339 nan 8.210 nan 0.000 0.429 62 F N 7.976 128.082 119.950 0.259 0.000 2.408 62 F HA 0.524 5.052 4.527 0.001 0.000 0.344 62 F C -0.292 175.800 175.800 0.487 0.000 1.112 62 F CA -0.042 58.162 58.000 0.339 0.000 1.096 62 F CB 1.157 40.288 39.000 0.219 0.000 1.129 62 F HN 0.451 nan 8.300 nan 0.000 0.486 63 W N 1.832 123.403 121.300 0.452 0.000 2.989 63 W HA 0.613 5.274 4.660 0.001 0.000 0.344 63 W C -1.181 175.539 176.519 0.334 0.000 1.233 63 W CA -1.315 56.213 57.345 0.306 0.000 1.187 63 W CB 1.507 31.074 29.460 0.178 0.000 1.443 63 W HN 0.643 nan 8.180 nan 0.000 0.573 64 A N 2.202 124.902 122.820 -0.200 0.000 2.536 64 A HA -0.038 4.282 4.320 0.001 0.000 0.234 64 A C 1.376 179.188 177.584 0.380 0.000 1.076 64 A CA 1.065 53.122 52.037 0.033 0.000 0.769 64 A CB -0.187 18.703 19.000 -0.183 0.000 1.020 64 A HN 0.779 nan 8.150 nan 0.000 0.508 65 H N 0.954 120.142 119.070 0.197 0.000 2.521 65 H HA -0.124 4.433 4.556 0.001 0.000 0.286 65 H C 0.990 176.480 175.328 0.271 0.000 1.034 65 H CA 1.339 57.496 56.048 0.182 0.000 1.278 65 H CB -0.348 29.415 29.762 0.001 0.000 1.386 65 H HN 0.828 nan 8.280 nan 0.000 0.567 66 D N 1.241 121.430 120.400 -0.352 0.000 2.264 66 D HA -0.157 4.483 4.640 0.001 0.000 0.208 66 D C 1.770 178.009 176.300 -0.101 0.000 0.966 66 D CA 0.347 54.180 54.000 -0.277 0.000 0.864 66 D CB -0.233 40.455 40.800 -0.188 0.000 0.933 66 D HN 0.246 nan 8.370 nan 0.000 0.499 67 R N -0.619 119.843 120.500 -0.064 0.000 2.240 67 R HA 0.081 4.421 4.340 0.001 0.000 0.203 67 R C 1.841 177.581 176.300 -0.934 0.000 1.011 67 R CA 0.060 55.858 56.100 -0.502 0.000 1.007 67 R CB -0.480 29.422 30.300 -0.662 0.000 0.911 67 R HN 0.268 nan 8.270 nan 0.000 0.468 68 F N 0.026 119.696 119.950 -0.466 0.000 2.367 68 F HA 0.060 4.588 4.527 0.001 0.000 0.298 68 F C 2.435 178.016 175.800 -0.365 0.000 1.094 68 F CA 1.053 58.851 58.000 -0.337 0.000 1.409 68 F CB -0.602 38.367 39.000 -0.051 0.000 1.064 68 F HN 0.095 nan 8.300 nan 0.000 0.528 69 G N -0.043 108.572 108.800 -0.308 0.000 2.418 69 G HA2 -0.181 3.780 3.960 0.001 0.000 0.217 69 G HA3 -0.181 3.780 3.960 0.001 0.000 0.217 69 G C 2.067 176.531 174.900 -0.726 0.000 1.158 69 G CA 0.867 45.487 45.100 -0.800 0.000 0.771 69 G HN 0.478 nan 8.290 nan 0.000 0.545 70 G N 0.076 108.597 108.800 -0.466 0.000 2.421 70 G HA2 -0.199 3.761 3.960 0.001 0.000 0.216 70 G HA3 -0.199 3.761 3.960 0.001 0.000 0.216 70 G C 1.625 176.455 174.900 -0.116 0.000 1.171 70 G CA 1.106 46.032 45.100 -0.290 0.000 0.775 70 G HN 0.376 nan 8.290 nan 0.000 0.543 71 Y N 1.412 121.629 120.300 -0.138 0.000 2.128 71 Y HA 0.010 4.560 4.550 0.001 0.000 0.284 71 Y C 3.162 179.045 175.900 -0.029 0.000 1.154 71 Y CA 0.174 58.246 58.100 -0.046 0.000 1.149 71 Y CB -1.333 37.128 38.460 0.000 0.000 0.976 71 Y HN 0.272 nan 8.280 nan 0.000 0.505 72 A N 0.088 122.955 122.820 0.079 0.000 1.865 72 A HA -0.309 4.012 4.320 0.001 0.000 0.217 72 A C 2.309 179.930 177.584 0.062 0.000 1.191 72 A CA 2.013 54.087 52.037 0.063 0.000 0.623 72 A CB -1.087 17.919 19.000 0.011 0.000 0.826 72 A HN 0.545 nan 8.150 nan 0.000 0.444 73 Q N -0.341 119.441 119.800 -0.030 0.000 2.181 73 Q HA -0.152 4.188 4.340 0.001 0.000 0.205 73 Q C 1.592 177.626 176.000 0.056 0.000 0.980 73 Q CA 1.797 57.646 55.803 0.077 0.000 0.862 73 Q CB -0.170 28.594 28.738 0.043 0.000 0.905 73 Q HN 0.538 nan 8.270 nan 0.000 0.429 74 S N -0.897 114.825 115.700 0.038 0.000 2.593 74 S HA 0.177 4.648 4.470 0.001 0.000 0.217 74 S C 0.754 175.365 174.600 0.018 0.000 0.966 74 S CA 0.530 58.745 58.200 0.025 0.000 0.914 74 S CB 0.430 63.643 63.200 0.022 0.000 0.776 74 S HN 0.720 nan 8.310 nan 0.000 0.523 75 G N 1.381 110.207 108.800 0.043 0.000 2.198 75 G HA2 -0.223 3.738 3.960 0.001 0.000 0.257 75 G HA3 -0.223 3.738 3.960 0.001 0.000 0.257 75 G C 0.412 175.325 174.900 0.021 0.000 1.042 75 G CA 0.291 45.413 45.100 0.036 0.000 0.791 75 G HN 0.529 nan 8.290 nan 0.000 0.502 76 L N -1.293 119.958 121.223 0.046 0.000 2.616 76 L HA 0.442 4.782 4.340 0.001 0.000 0.229 76 L C 1.083 178.026 176.870 0.121 0.000 1.110 76 L CA 0.185 55.034 54.840 0.014 0.000 0.884 76 L CB 0.167 42.197 42.059 -0.049 0.000 1.115 76 L HN 0.197 nan 8.230 nan 0.000 0.481 77 L N 0.154 121.467 121.223 0.150 0.000 2.346 77 L HA 0.648 4.988 4.340 0.001 0.000 0.276 77 L C 0.129 177.068 176.870 0.117 0.000 1.006 77 L CA -0.619 54.326 54.840 0.174 0.000 0.817 77 L CB 1.975 44.173 42.059 0.231 0.000 1.272 77 L HN -0.102 nan 8.230 nan 0.000 0.421 78 A N 2.071 124.952 122.820 0.101 0.000 2.388 78 A HA 0.245 4.566 4.320 0.001 0.000 0.257 78 A C -0.019 177.607 177.584 0.070 0.000 1.095 78 A CA -0.285 51.797 52.037 0.074 0.000 0.791 78 A CB 0.435 19.474 19.000 0.064 0.000 1.029 78 A HN 0.785 nan 8.150 nan 0.000 0.489 79 E N 1.266 121.497 120.200 0.052 0.000 2.344 79 E HA 0.310 4.661 4.350 0.001 0.000 0.270 79 E C -0.343 176.263 176.600 0.010 0.000 1.021 79 E CA -0.235 56.184 56.400 0.033 0.000 0.887 79 E CB 0.294 30.010 29.700 0.026 0.000 0.997 79 E HN 0.565 nan 8.360 nan 0.000 0.429 80 I N 1.550 122.098 120.570 -0.036 0.000 2.385 80 I HA 0.373 4.544 4.170 0.001 0.000 0.294 80 I C -0.031 176.027 176.117 -0.097 0.000 0.988 80 I CA -0.515 60.727 61.300 -0.096 0.000 1.265 80 I CB 1.805 39.599 38.000 -0.344 0.000 1.388 80 I HN 0.367 nan 8.210 nan 0.000 0.480 81 T N 2.457 116.983 114.554 -0.047 0.000 3.585 81 T HA 0.501 4.852 4.350 0.001 0.000 0.252 81 T C -2.501 172.189 174.700 -0.017 0.000 1.382 81 T CA -1.366 60.711 62.100 -0.038 0.000 1.584 81 T CB -0.119 68.743 68.868 -0.010 0.000 0.892 81 T HN 0.523 nan 8.240 nan 0.000 0.671 82 P HA 0.354 nan 4.420 nan 0.000 0.278 82 P C -0.166 177.143 177.300 0.015 0.000 1.238 82 P CA -0.228 62.898 63.100 0.044 0.000 0.794 82 P CB 0.715 32.533 31.700 0.197 0.000 0.955 83 D N 0.755 121.195 120.400 0.067 0.000 2.371 83 D HA 0.047 4.688 4.640 0.001 0.000 0.242 83 D C 1.124 177.452 176.300 0.047 0.000 1.218 83 D CA -0.386 53.641 54.000 0.045 0.000 0.945 83 D CB 0.558 41.392 40.800 0.057 0.000 1.137 83 D HN 0.072 nan 8.370 nan 0.000 0.464 84 K N 0.423 120.827 120.400 0.007 0.000 2.103 84 K HA -0.123 4.197 4.320 0.001 0.000 0.207 84 K C 1.903 178.519 176.600 0.026 0.000 1.048 84 K CA 1.765 58.043 56.287 -0.015 0.000 0.930 84 K CB -0.814 31.674 32.500 -0.019 0.000 0.716 84 K HN 0.507 nan 8.250 nan 0.000 0.444 85 A N -0.251 122.608 122.820 0.064 0.000 1.902 85 A HA -0.135 4.186 4.320 0.001 0.000 0.217 85 A C 2.195 179.853 177.584 0.123 0.000 1.181 85 A CA 1.588 53.673 52.037 0.079 0.000 0.623 85 A CB -0.864 18.188 19.000 0.087 0.000 0.818 85 A HN 0.463 nan 8.150 nan 0.000 0.443 86 F N 0.458 120.444 119.950 0.060 0.000 2.163 86 F HA -0.128 4.399 4.527 0.001 0.000 0.297 86 F C 2.518 178.439 175.800 0.202 0.000 1.094 86 F CA 2.004 60.081 58.000 0.128 0.000 1.290 86 F CB -0.376 38.723 39.000 0.165 0.000 1.017 86 F HN 0.288 nan 8.300 nan 0.000 0.483 87 Q N -0.043 119.857 119.800 0.167 0.000 2.135 87 Q HA -0.234 4.106 4.340 0.001 0.000 0.204 87 Q C 1.712 177.779 176.000 0.112 0.000 0.981 87 Q CA 1.712 57.530 55.803 0.026 0.000 0.856 87 Q CB -0.320 28.180 28.738 -0.397 0.000 0.902 87 Q HN 0.391 nan 8.270 nan 0.000 0.425 88 D N 0.506 120.917 120.400 0.018 0.000 2.221 88 D HA -0.130 4.511 4.640 0.001 0.000 0.204 88 D C 1.363 177.634 176.300 -0.047 0.000 0.982 88 D CA 1.110 55.111 54.000 0.001 0.000 0.857 88 D CB 0.001 40.795 40.800 -0.010 0.000 0.934 88 D HN 0.213 nan 8.370 nan 0.000 0.475 89 K N -0.376 119.955 120.400 -0.115 0.000 2.288 89 K HA 0.043 4.363 4.320 0.001 0.000 0.201 89 K C 0.709 177.163 176.600 -0.244 0.000 1.048 89 K CA 0.450 56.613 56.287 -0.206 0.000 0.956 89 K CB 0.345 32.653 32.500 -0.321 0.000 0.746 89 K HN 0.151 nan 8.250 nan 0.000 0.461 90 L N 0.329 121.469 121.223 -0.138 0.000 2.330 90 L HA 0.326 4.667 4.340 0.001 0.000 0.271 90 L C -0.265 176.568 176.870 -0.062 0.000 1.013 90 L CA -1.344 53.393 54.840 -0.172 0.000 0.816 90 L CB 0.577 42.456 42.059 -0.299 0.000 1.287 90 L HN -0.095 nan 8.230 nan 0.000 0.435 91 Y N 1.532 121.832 120.300 -0.001 0.000 2.526 91 Y HA 0.047 4.597 4.550 0.001 0.000 0.330 91 Y C -1.368 174.633 175.900 0.168 0.000 1.156 91 Y CA -1.138 57.011 58.100 0.082 0.000 1.419 91 Y CB 0.083 38.585 38.460 0.070 0.000 1.250 91 Y HN 0.428 nan 8.280 nan 0.000 0.540 92 P HA -0.264 nan 4.420 nan 0.000 0.216 92 P C 1.656 179.147 177.300 0.319 0.000 1.153 92 P CA 1.509 64.833 63.100 0.374 0.000 0.858 92 P CB -0.077 31.781 31.700 0.264 0.000 0.789 93 F N 0.888 120.925 119.950 0.146 0.000 2.161 93 F HA -0.222 4.305 4.527 0.001 0.000 0.300 93 F C 2.057 177.866 175.800 0.014 0.000 1.089 93 F CA 2.170 60.208 58.000 0.062 0.000 1.282 93 F CB -0.921 38.087 39.000 0.013 0.000 1.010 93 F HN -0.026 nan 8.300 nan 0.000 0.485 94 T N -3.135 111.477 114.554 0.096 0.000 2.896 94 T HA -0.206 4.144 4.350 0.001 0.000 0.263 94 T C 1.792 176.346 174.700 -0.244 0.000 1.050 94 T CA 1.133 63.152 62.100 -0.134 0.000 1.140 94 T CB -1.198 67.599 68.868 -0.119 0.000 0.877 94 T HN 0.539 nan 8.240 nan 0.000 0.457 95 W N 2.077 123.361 121.300 -0.027 0.000 2.358 95 W HA 0.017 4.678 4.660 0.002 0.000 0.303 95 W C 2.192 178.653 176.519 -0.096 0.000 1.208 95 W CA 0.437 57.753 57.345 -0.047 0.000 1.274 95 W CB -0.257 29.198 29.460 -0.009 0.000 1.138 95 W HN 0.197 nan 8.180 nan 0.000 0.515 96 D N 0.255 120.714 120.400 0.098 0.000 2.133 96 D HA -0.237 4.403 4.640 0.001 0.000 0.192 96 D C 2.176 178.405 176.300 -0.119 0.000 1.001 96 D CA 2.075 56.054 54.000 -0.035 0.000 0.844 96 D CB -0.998 39.724 40.800 -0.130 0.000 0.944 96 D HN 0.130 nan 8.370 nan 0.000 0.447 97 A N 0.345 122.984 122.820 -0.302 0.000 2.019 97 A HA -0.101 4.219 4.320 0.001 0.000 0.219 97 A C 1.961 179.471 177.584 -0.122 0.000 1.164 97 A CA 1.537 53.338 52.037 -0.395 0.000 0.644 97 A CB -0.307 18.234 19.000 -0.766 0.000 0.805 97 A HN 0.255 nan 8.150 nan 0.000 0.449 98 V N -3.010 116.867 119.914 -0.061 0.000 3.099 98 V HA 0.432 4.553 4.120 0.001 0.000 0.356 98 V C 0.295 176.443 176.094 0.089 0.000 1.364 98 V CA -0.373 61.924 62.300 -0.006 0.000 1.229 98 V CB -0.913 30.859 31.823 -0.085 0.000 1.227 98 V HN 0.388 nan 8.190 nan 0.000 0.493 99 R N 0.750 121.320 120.500 0.116 0.000 2.387 99 R HA 0.578 4.919 4.340 0.001 0.000 0.314 99 R C -1.906 174.522 176.300 0.214 0.000 0.958 99 R CA -0.757 55.424 56.100 0.136 0.000 0.846 99 R CB 1.629 31.985 30.300 0.094 0.000 1.147 99 R HN 0.474 nan 8.270 nan 0.000 0.447 100 Y N 4.704 125.041 120.300 0.061 0.000 2.361 100 Y HA 0.213 4.763 4.550 0.001 0.000 0.328 100 Y C -0.801 175.129 175.900 0.050 0.000 1.044 100 Y CA -0.972 57.167 58.100 0.065 0.000 1.085 100 Y CB 1.321 39.827 38.460 0.076 0.000 1.194 100 Y HN 0.823 nan 8.280 nan 0.000 0.438 101 N N 4.211 122.599 118.700 -0.521 0.000 2.705 101 N HA -0.193 4.547 4.740 0.001 0.000 0.255 101 N C 0.907 176.338 175.510 -0.131 0.000 1.008 101 N CA 1.815 54.645 53.050 -0.367 0.000 0.742 101 N CB -1.128 37.094 38.487 -0.442 0.000 0.906 101 N HN 1.414 nan 8.380 nan 0.000 0.541 102 G N -1.649 107.105 108.800 -0.076 0.000 2.168 102 G HA2 -0.365 3.595 3.960 0.001 0.000 0.263 102 G HA3 -0.365 3.595 3.960 0.001 0.000 0.263 102 G C 0.055 174.950 174.900 -0.009 0.000 0.977 102 G CA 1.010 46.090 45.100 -0.033 0.000 0.659 102 G HN 0.578 nan 8.290 nan 0.000 0.533 103 K N -0.601 119.810 120.400 0.018 0.000 2.328 103 K HA 0.691 5.012 4.320 0.001 0.000 0.246 103 K C 0.043 176.678 176.600 0.058 0.000 0.955 103 K CA -0.982 55.326 56.287 0.035 0.000 0.817 103 K CB 1.837 34.374 32.500 0.062 0.000 1.208 103 K HN 0.084 nan 8.250 nan 0.000 0.432 104 L N 4.214 125.452 121.223 0.026 0.000 2.290 104 L HA 0.323 4.663 4.340 0.001 0.000 0.284 104 L C 1.022 177.913 176.870 0.034 0.000 1.078 104 L CA -0.028 54.834 54.840 0.037 0.000 0.815 104 L CB 0.444 42.492 42.059 -0.019 0.000 1.162 104 L HN 0.708 nan 8.230 nan 0.000 0.435 105 I N -0.019 120.586 120.570 0.059 0.000 4.240 105 I HA 0.645 4.815 4.170 0.001 0.000 0.331 105 I C 0.281 176.410 176.117 0.021 0.000 1.381 105 I CA -0.179 61.168 61.300 0.079 0.000 1.136 105 I CB 0.624 38.724 38.000 0.167 0.000 1.137 105 I HN 0.508 nan 8.210 nan 0.000 0.411 106 A N 0.222 122.986 122.820 -0.093 0.000 2.601 106 A HA 0.664 4.984 4.320 0.001 0.000 0.291 106 A C -2.065 175.391 177.584 -0.213 0.000 1.075 106 A CA -0.436 51.478 52.037 -0.205 0.000 0.671 106 A CB 0.611 19.279 19.000 -0.554 0.000 1.277 106 A HN 0.174 nan 8.150 nan 0.000 0.417 107 Y N 1.442 121.683 120.300 -0.099 0.000 2.327 107 Y HA 0.446 4.997 4.550 0.001 0.000 0.336 107 Y C -1.920 173.829 175.900 -0.252 0.000 1.035 107 Y CA -1.700 56.349 58.100 -0.084 0.000 1.165 107 Y CB 1.074 39.527 38.460 -0.011 0.000 1.181 107 Y HN 0.410 nan 8.280 nan 0.000 0.494 108 P HA 0.126 nan 4.420 nan 0.000 0.279 108 P C -0.071 177.148 177.300 -0.135 0.000 1.239 108 P CA 0.040 62.979 63.100 -0.267 0.000 0.789 108 P CB 1.741 33.169 31.700 -0.453 0.000 0.933 109 I N 0.810 121.358 120.570 -0.037 0.000 3.366 109 I HA 0.360 4.531 4.170 0.001 0.000 0.267 109 I C 1.002 177.163 176.117 0.074 0.000 1.149 109 I CA 0.232 61.567 61.300 0.058 0.000 1.436 109 I CB -0.812 37.286 38.000 0.163 0.000 1.379 109 I HN 0.353 nan 8.210 nan 0.000 0.460 110 A N 0.586 123.453 122.820 0.080 0.000 2.604 110 A HA 0.641 4.961 4.320 0.001 0.000 0.295 110 A C -1.181 176.467 177.584 0.106 0.000 1.067 110 A CA -0.382 51.715 52.037 0.101 0.000 0.683 110 A CB 1.425 20.495 19.000 0.117 0.000 1.281 110 A HN -0.152 nan 8.150 nan 0.000 0.407 111 V N 1.791 121.772 119.914 0.111 0.000 2.461 111 V HA 0.379 4.499 4.120 0.001 0.000 0.275 111 V C 0.033 176.208 176.094 0.135 0.000 1.047 111 V CA -0.053 62.327 62.300 0.134 0.000 0.955 111 V CB 0.928 32.811 31.823 0.100 0.000 0.988 111 V HN 0.864 nan 8.190 nan 0.000 0.471 112 E N 3.132 123.446 120.200 0.189 0.000 2.199 112 E HA 0.819 5.170 4.350 0.001 0.000 0.269 112 E C -0.569 176.174 176.600 0.239 0.000 0.899 112 E CA -0.682 55.853 56.400 0.226 0.000 0.772 112 E CB 2.362 32.269 29.700 0.345 0.000 1.155 112 E HN 0.821 nan 8.360 nan 0.000 0.408 113 A N 2.806 125.723 122.820 0.163 0.000 2.574 113 A HA 0.493 4.814 4.320 0.001 0.000 0.297 113 A C -1.086 176.518 177.584 0.033 0.000 1.062 113 A CA -0.743 51.375 52.037 0.134 0.000 0.686 113 A CB 0.868 19.929 19.000 0.101 0.000 1.285 113 A HN 0.553 nan 8.150 nan 0.000 0.403 114 L N 1.416 122.628 121.223 -0.019 0.000 2.439 114 L HA 0.478 4.819 4.340 0.001 0.000 0.269 114 L C 0.552 177.402 176.870 -0.034 0.000 1.179 114 L CA 0.127 54.920 54.840 -0.079 0.000 0.828 114 L CB 1.232 43.197 42.059 -0.157 0.000 1.106 114 L HN 0.728 nan 8.230 nan 0.000 0.467 115 S N 1.613 117.301 115.700 -0.020 0.000 2.632 115 S HA 0.506 4.977 4.470 0.001 0.000 0.289 115 S C -1.000 173.586 174.600 -0.023 0.000 1.115 115 S CA -0.659 57.547 58.200 0.009 0.000 0.889 115 S CB 1.995 65.246 63.200 0.084 0.000 1.116 115 S HN 0.367 nan 8.310 nan 0.000 0.486 116 L N 2.586 123.789 121.223 -0.035 0.000 2.369 116 L HA 0.482 4.823 4.340 0.001 0.000 0.279 116 L C -1.147 175.744 176.870 0.035 0.000 1.108 116 L CA 0.415 55.220 54.840 -0.057 0.000 0.852 116 L CB -0.483 41.516 42.059 -0.101 0.000 1.169 116 L HN 0.498 nan 8.230 nan 0.000 0.452 117 I N 6.657 127.204 120.570 -0.040 0.000 2.377 117 I HA 0.359 4.530 4.170 0.001 0.000 0.293 117 I C -0.924 175.198 176.117 0.007 0.000 0.987 117 I CA -0.782 60.476 61.300 -0.070 0.000 1.185 117 I CB 1.086 38.879 38.000 -0.346 0.000 1.341 117 I HN 0.631 nan 8.210 nan 0.000 0.455 118 Y N 4.237 124.619 120.300 0.137 0.000 2.504 118 Y HA 0.479 5.029 4.550 0.001 0.000 0.344 118 Y C -0.822 175.344 175.900 0.443 0.000 1.023 118 Y CA -1.426 56.860 58.100 0.309 0.000 1.020 118 Y CB 0.915 39.445 38.460 0.116 0.000 1.282 118 Y HN 0.457 nan 8.280 nan 0.000 0.454 119 N N 3.495 122.431 118.700 0.394 0.000 2.405 119 N HA 0.103 4.843 4.740 0.001 0.000 0.260 119 N C 0.271 175.847 175.510 0.109 0.000 1.152 119 N CA 0.123 53.211 53.050 0.064 0.000 0.948 119 N CB 1.008 39.416 38.487 -0.133 0.000 1.111 119 N HN 0.930 nan 8.380 nan 0.000 0.485 120 K N 2.062 122.449 120.400 -0.021 0.000 2.147 120 K HA -0.106 4.215 4.320 0.001 0.000 0.205 120 K C 0.499 177.137 176.600 0.062 0.000 1.049 120 K CA 1.118 57.444 56.287 0.066 0.000 0.936 120 K CB 0.315 32.788 32.500 -0.046 0.000 0.722 120 K HN 0.508 nan 8.250 nan 0.000 0.446 121 D N 0.970 121.376 120.400 0.010 0.000 2.103 121 D HA -0.095 4.546 4.640 0.001 0.000 0.199 121 D C 1.904 178.212 176.300 0.013 0.000 0.978 121 D CA 0.989 54.989 54.000 0.001 0.000 0.829 121 D CB -0.162 40.623 40.800 -0.026 0.000 0.981 121 D HN 0.093 nan 8.370 nan 0.000 0.464 122 L N -0.551 120.679 121.223 0.012 0.000 2.217 122 L HA -0.011 4.329 4.340 0.001 0.000 0.211 122 L C 0.539 177.439 176.870 0.050 0.000 1.107 122 L CA 0.408 55.260 54.840 0.020 0.000 0.783 122 L CB 0.214 42.276 42.059 0.006 0.000 0.919 122 L HN 0.005 nan 8.230 nan 0.000 0.442 123 L N -0.579 120.702 121.223 0.096 0.000 2.549 123 L HA 0.344 4.684 4.340 0.001 0.000 0.260 123 L C -2.275 174.690 176.870 0.159 0.000 1.109 123 L CA -1.184 53.720 54.840 0.107 0.000 0.900 123 L CB 1.119 43.251 42.059 0.121 0.000 1.119 123 L HN -0.260 nan 8.230 nan 0.000 0.471 124 P HA 0.029 nan 4.420 nan 0.000 0.219 124 P C -0.349 176.980 177.300 0.049 0.000 1.150 124 P CA 0.993 64.159 63.100 0.110 0.000 0.814 124 P CB 0.197 31.926 31.700 0.049 0.000 0.787 125 N N 0.421 119.099 118.700 -0.036 0.000 2.558 125 N HA 0.222 4.963 4.740 0.001 0.000 0.242 125 N C -2.572 172.810 175.510 -0.213 0.000 0.979 125 N CA -1.776 51.200 53.050 -0.124 0.000 0.931 125 N CB 0.628 39.067 38.487 -0.080 0.000 1.122 125 N HN 0.096 nan 8.380 nan 0.000 0.508 126 P HA 0.223 nan 4.420 nan 0.000 0.275 126 P C -2.687 174.442 177.300 -0.284 0.000 1.228 126 P CA -1.217 61.611 63.100 -0.453 0.000 0.786 126 P CB 0.286 31.449 31.700 -0.895 0.000 0.927 127 P HA 0.146 nan 4.420 nan 0.000 0.276 127 P C 0.434 177.624 177.300 -0.182 0.000 1.230 127 P CA -0.132 62.870 63.100 -0.164 0.000 0.776 127 P CB 0.902 32.521 31.700 -0.136 0.000 0.888 128 K N 0.551 120.869 120.400 -0.136 0.000 2.365 128 K HA 0.067 4.388 4.320 0.001 0.000 0.197 128 K C 1.062 177.600 176.600 -0.103 0.000 1.042 128 K CA 0.848 57.062 56.287 -0.121 0.000 0.987 128 K CB -0.128 32.319 32.500 -0.088 0.000 0.779 128 K HN 0.648 nan 8.250 nan 0.000 0.484 129 T N -4.288 110.215 114.554 -0.087 0.000 2.907 129 T HA 0.292 4.643 4.350 0.001 0.000 0.292 129 T C 0.538 175.227 174.700 -0.018 0.000 1.043 129 T CA -0.901 61.183 62.100 -0.026 0.000 1.003 129 T CB 1.145 70.018 68.868 0.009 0.000 1.084 129 T HN 0.112 nan 8.240 nan 0.000 0.483 130 W N 0.767 122.046 121.300 -0.035 0.000 2.388 130 W HA 0.079 4.739 4.660 0.001 0.000 0.294 130 W C 2.175 178.765 176.519 0.118 0.000 1.212 130 W CA 0.921 58.255 57.345 -0.018 0.000 1.271 130 W CB -0.161 29.150 29.460 -0.249 0.000 1.126 130 W HN 0.828 nan 8.180 nan 0.000 0.535 131 E N 0.209 120.572 120.200 0.271 0.000 2.160 131 E HA -0.217 4.133 4.350 0.001 0.000 0.195 131 E C 1.633 178.396 176.600 0.271 0.000 0.991 131 E CA 1.502 58.110 56.400 0.345 0.000 0.810 131 E CB -0.350 29.453 29.700 0.172 0.000 0.742 131 E HN 0.355 nan 8.360 nan 0.000 0.466 132 E N 0.066 120.357 120.200 0.152 0.000 2.204 132 E HA -0.168 4.182 4.350 0.001 0.000 0.195 132 E C 1.891 178.531 176.600 0.066 0.000 0.990 132 E CA 0.702 57.147 56.400 0.075 0.000 0.821 132 E CB -0.100 29.608 29.700 0.013 0.000 0.750 132 E HN 0.336 nan 8.360 nan 0.000 0.477 133 I N 0.791 121.433 120.570 0.119 0.000 2.252 133 I HA -0.172 3.998 4.170 0.001 0.000 0.245 133 I C -0.848 175.231 176.117 -0.063 0.000 1.102 133 I CA 0.805 62.137 61.300 0.054 0.000 1.385 133 I CB -1.094 36.990 38.000 0.141 0.000 1.064 133 I HN 0.067 nan 8.210 nan 0.000 0.414 134 P HA -0.191 nan 4.420 nan 0.000 0.215 134 P C 1.506 178.602 177.300 -0.339 0.000 1.153 134 P CA 1.872 64.636 63.100 -0.560 0.000 0.853 134 P CB -0.023 31.464 31.700 -0.354 0.000 0.788 135 A N -0.840 121.911 122.820 -0.116 0.000 1.902 135 A HA -0.173 4.148 4.320 0.001 0.000 0.217 135 A C 2.162 179.723 177.584 -0.038 0.000 1.181 135 A CA 1.433 53.443 52.037 -0.045 0.000 0.623 135 A CB -1.671 17.326 19.000 -0.006 0.000 0.818 135 A HN 0.148 nan 8.150 nan 0.000 0.443 136 L N 0.117 121.315 121.223 -0.041 0.000 2.083 136 L HA -0.145 4.195 4.340 0.001 0.000 0.209 136 L C 1.930 178.791 176.870 -0.015 0.000 1.083 136 L CA 2.531 57.358 54.840 -0.023 0.000 0.752 136 L CB -0.517 41.529 42.059 -0.021 0.000 0.899 136 L HN 0.501 nan 8.230 nan 0.000 0.433 137 D N -0.803 119.571 120.400 -0.044 0.000 2.117 137 D HA -0.210 4.431 4.640 0.001 0.000 0.197 137 D C 2.134 178.463 176.300 0.049 0.000 0.987 137 D CA 1.355 55.359 54.000 0.006 0.000 0.829 137 D CB 0.092 40.886 40.800 -0.009 0.000 0.961 137 D HN 0.262 nan 8.370 nan 0.000 0.460 138 K N 0.117 120.538 120.400 0.036 0.000 2.032 138 K HA -0.176 4.144 4.320 0.001 0.000 0.209 138 K C 2.209 178.834 176.600 0.042 0.000 1.048 138 K CA 1.446 57.772 56.287 0.065 0.000 0.927 138 K CB -0.104 32.431 32.500 0.058 0.000 0.712 138 K HN 0.310 nan 8.250 nan 0.000 0.441 139 E N 0.714 120.929 120.200 0.025 0.000 2.058 139 E HA -0.193 4.158 4.350 0.001 0.000 0.194 139 E C 2.098 178.712 176.600 0.023 0.000 0.997 139 E CA 1.130 57.542 56.400 0.020 0.000 0.801 139 E CB -0.133 29.574 29.700 0.012 0.000 0.746 139 E HN 0.225 nan 8.360 nan 0.000 0.450 140 L N 0.910 122.150 121.223 0.027 0.000 2.141 140 L HA -0.155 4.185 4.340 0.001 0.000 0.209 140 L C 2.384 179.274 176.870 0.034 0.000 1.094 140 L CA 0.779 55.637 54.840 0.030 0.000 0.763 140 L CB -0.220 41.861 42.059 0.036 0.000 0.908 140 L HN -0.011 nan 8.230 nan 0.000 0.437 141 K N 0.229 120.656 120.400 0.044 0.000 2.097 141 K HA -0.110 4.210 4.320 0.001 0.000 0.206 141 K C 2.200 178.818 176.600 0.030 0.000 1.049 141 K CA 1.426 57.740 56.287 0.044 0.000 0.933 141 K CB -0.455 32.081 32.500 0.061 0.000 0.717 141 K HN 0.287 nan 8.250 nan 0.000 0.442 142 A N 2.307 125.144 122.820 0.028 0.000 1.940 142 A HA -0.192 4.129 4.320 0.001 0.000 0.219 142 A C 1.586 179.179 177.584 0.015 0.000 1.176 142 A CA 1.782 53.831 52.037 0.020 0.000 0.631 142 A CB -0.339 18.672 19.000 0.019 0.000 0.814 142 A HN 0.465 nan 8.150 nan 0.000 0.446 143 K N -1.656 118.753 120.400 0.015 0.000 2.681 143 K HA 0.444 4.764 4.320 0.001 0.000 0.211 143 K C 0.604 177.209 176.600 0.009 0.000 1.075 143 K CA 0.216 56.509 56.287 0.010 0.000 1.141 143 K CB -0.417 32.087 32.500 0.008 0.000 0.896 143 K HN 0.728 nan 8.250 nan 0.000 0.470 144 G N 1.492 110.300 108.800 0.012 0.000 2.198 144 G HA2 -0.235 3.726 3.960 0.001 0.000 0.257 144 G HA3 -0.235 3.726 3.960 0.001 0.000 0.257 144 G C -0.480 174.427 174.900 0.013 0.000 1.042 144 G CA 0.134 45.241 45.100 0.011 0.000 0.791 144 G HN 0.329 nan 8.290 nan 0.000 0.502 145 K N -0.574 119.838 120.400 0.020 0.000 2.439 145 K HA 0.802 5.123 4.320 0.001 0.000 0.260 145 K C 0.095 176.719 176.600 0.041 0.000 1.032 145 K CA -0.066 56.235 56.287 0.024 0.000 0.882 145 K CB 1.816 34.327 32.500 0.018 0.000 1.420 145 K HN 0.622 nan 8.250 nan 0.000 0.455 146 S N -1.346 114.385 115.700 0.051 0.000 2.600 146 S HA 0.655 5.125 4.470 0.001 0.000 0.300 146 S C 0.647 175.297 174.600 0.084 0.000 1.087 146 S CA -0.366 57.878 58.200 0.073 0.000 0.965 146 S CB 1.894 65.141 63.200 0.079 0.000 1.089 146 S HN 0.590 nan 8.310 nan 0.000 0.496 147 A N 0.615 123.490 122.820 0.091 0.000 1.855 147 A HA 0.442 4.763 4.320 0.001 0.000 0.213 147 A C 0.491 178.146 177.584 0.117 0.000 1.195 147 A CA 0.940 53.027 52.037 0.085 0.000 0.610 147 A CB -0.580 18.453 19.000 0.056 0.000 0.837 147 A HN 0.907 nan 8.150 nan 0.000 0.444 148 L N -0.923 120.387 121.223 0.146 0.000 2.436 148 L HA 0.705 5.046 4.340 0.001 0.000 0.268 148 L C -1.188 175.817 176.870 0.224 0.000 0.974 148 L CA -0.167 54.789 54.840 0.194 0.000 0.826 148 L CB 1.826 44.010 42.059 0.209 0.000 1.291 148 L HN 0.353 nan 8.230 nan 0.000 0.406 149 M N 6.125 125.870 119.600 0.242 0.000 2.267 149 M HA 0.578 5.058 4.480 0.001 0.000 0.289 149 M C -1.523 174.928 176.300 0.251 0.000 1.043 149 M CA -0.427 54.978 55.300 0.175 0.000 0.928 149 M CB 2.017 34.678 32.600 0.102 0.000 1.613 149 M HN 0.609 nan 8.290 nan 0.000 0.450 150 F N 0.355 120.307 119.950 0.003 0.000 2.745 150 F HA 0.572 5.100 4.527 0.001 0.000 0.316 150 F C -0.825 174.903 175.800 -0.120 0.000 1.155 150 F CA -1.339 56.621 58.000 -0.066 0.000 0.937 150 F CB 0.814 39.838 39.000 0.040 0.000 1.361 150 F HN 0.440 nan 8.300 nan 0.000 0.472 151 N N 1.605 120.166 118.700 -0.232 0.000 2.427 151 N HA 0.171 4.912 4.740 0.001 0.000 0.269 151 N C 0.046 175.426 175.510 -0.216 0.000 1.235 151 N CA 0.077 52.902 53.050 -0.375 0.000 0.934 151 N CB 0.332 38.345 38.487 -0.790 0.000 1.121 151 N HN 0.779 nan 8.380 nan 0.000 0.480 152 L N 2.150 123.236 121.223 -0.228 0.000 2.607 152 L HA 0.132 4.473 4.340 0.001 0.000 0.228 152 L C 1.281 178.147 176.870 -0.007 0.000 1.123 152 L CA 0.048 54.804 54.840 -0.140 0.000 0.890 152 L CB 0.094 42.016 42.059 -0.229 0.000 1.103 152 L HN 0.440 nan 8.230 nan 0.000 0.468 153 Q N -0.218 119.589 119.800 0.012 0.000 2.402 153 Q HA 0.168 4.509 4.340 0.001 0.000 0.206 153 Q C 0.191 176.255 176.000 0.107 0.000 0.919 153 Q CA 0.587 56.416 55.803 0.043 0.000 0.923 153 Q CB 0.710 29.462 28.738 0.024 0.000 1.048 153 Q HN 0.310 nan 8.270 nan 0.000 0.515 154 E N 1.363 121.687 120.200 0.206 0.000 2.165 154 E HA 0.187 4.538 4.350 0.001 0.000 0.266 154 E C -1.859 174.994 176.600 0.423 0.000 0.889 154 E CA -1.994 54.585 56.400 0.298 0.000 0.756 154 E CB 2.138 32.080 29.700 0.403 0.000 1.131 154 E HN -0.124 nan 8.360 nan 0.000 0.411 155 P HA -0.187 nan 4.420 nan 0.000 0.222 155 P C 1.360 179.030 177.300 0.618 0.000 1.147 155 P CA 0.863 64.239 63.100 0.458 0.000 0.790 155 P CB 0.152 32.126 31.700 0.456 0.000 0.780 156 Y N 0.497 120.949 120.300 0.254 0.000 2.139 156 Y HA -0.247 4.303 4.550 0.001 0.000 0.282 156 Y C 1.965 178.010 175.900 0.242 0.000 1.179 156 Y CA 1.806 59.996 58.100 0.151 0.000 1.161 156 Y CB -1.084 37.237 38.460 -0.232 0.000 0.970 156 Y HN -0.191 nan 8.280 nan 0.000 0.511 157 F N -1.139 119.059 119.950 0.414 0.000 2.416 157 F HA -0.047 4.481 4.527 0.001 0.000 0.296 157 F C 2.488 178.522 175.800 0.390 0.000 1.099 157 F CA 1.399 59.621 58.000 0.371 0.000 1.427 157 F CB -0.638 38.694 39.000 0.552 0.000 1.079 157 F HN 0.080 nan 8.300 nan 0.000 0.536 158 T N -3.527 111.387 114.554 0.601 0.000 3.051 158 T HA -0.147 4.204 4.350 0.001 0.000 0.255 158 T C 1.887 176.755 174.700 0.280 0.000 1.085 158 T CA 0.018 62.384 62.100 0.444 0.000 1.109 158 T CB -0.733 68.355 68.868 0.366 0.000 0.921 158 T HN 0.498 nan 8.240 nan 0.000 0.488 159 W N 2.993 124.407 121.300 0.190 0.000 2.342 159 W HA -0.064 4.597 4.660 0.001 0.000 0.297 159 W C -1.708 174.810 176.519 -0.001 0.000 1.213 159 W CA 1.029 58.454 57.345 0.133 0.000 1.251 159 W CB -1.027 28.619 29.460 0.310 0.000 1.136 159 W HN 0.293 nan 8.180 nan 0.000 0.526 160 P HA -0.219 nan 4.420 nan 0.000 0.216 160 P C 1.802 178.961 177.300 -0.234 0.000 1.150 160 P CA 1.561 64.576 63.100 -0.143 0.000 0.837 160 P CB -0.444 31.253 31.700 -0.005 0.000 0.786 161 L N -0.725 120.342 121.223 -0.260 0.000 2.027 161 L HA -0.087 4.253 4.340 0.001 0.000 0.206 161 L C 2.224 178.760 176.870 -0.556 0.000 1.074 161 L CA 1.679 56.202 54.840 -0.529 0.000 0.745 161 L CB -1.290 40.264 42.059 -0.841 0.000 0.898 161 L HN -0.141 nan 8.230 nan 0.000 0.433 162 I N -0.200 120.061 120.570 -0.515 0.000 2.208 162 I HA -0.299 3.872 4.170 0.001 0.000 0.245 162 I C 2.488 178.205 176.117 -0.666 0.000 1.097 162 I CA 1.304 62.277 61.300 -0.545 0.000 1.363 162 I CB -0.618 37.077 38.000 -0.508 0.000 1.051 162 I HN 0.355 nan 8.210 nan 0.000 0.413 163 A N 0.547 122.796 122.820 -0.951 0.000 2.066 163 A HA -0.019 4.302 4.320 0.001 0.000 0.218 163 A C 2.524 179.913 177.584 -0.325 0.000 1.157 163 A CA 1.337 52.920 52.037 -0.755 0.000 0.670 163 A CB -0.611 17.840 19.000 -0.915 0.000 0.804 163 A HN 0.421 nan 8.150 nan 0.000 0.453 164 A N 0.231 122.905 122.820 -0.245 0.000 1.873 164 A HA -0.254 4.066 4.320 0.001 0.000 0.218 164 A C 1.796 179.378 177.584 -0.004 0.000 1.193 164 A CA 2.193 54.191 52.037 -0.065 0.000 0.629 164 A CB -0.583 18.441 19.000 0.039 0.000 0.826 164 A HN 0.454 nan 8.150 nan 0.000 0.447 165 D N -2.747 117.679 120.400 0.043 0.000 2.328 165 D HA 0.330 4.971 4.640 0.001 0.000 0.221 165 D C 0.909 177.213 176.300 0.007 0.000 1.072 165 D CA 1.116 55.135 54.000 0.033 0.000 0.850 165 D CB 0.111 40.964 40.800 0.088 0.000 0.922 165 D HN 0.526 nan 8.370 nan 0.000 0.516 166 G N -1.286 107.508 108.800 -0.010 0.000 2.559 166 G HA2 -0.043 3.918 3.960 0.001 0.000 0.202 166 G HA3 -0.043 3.918 3.960 0.001 0.000 0.202 166 G C 0.681 175.623 174.900 0.070 0.000 0.992 166 G CA -0.245 44.883 45.100 0.046 0.000 0.764 166 G HN 0.473 nan 8.290 nan 0.000 0.525 167 G N 0.406 109.153 108.800 -0.088 0.000 2.432 167 G HA2 0.621 4.582 3.960 0.001 0.000 0.239 167 G HA3 0.621 4.582 3.960 0.001 0.000 0.239 167 G C -0.220 174.710 174.900 0.050 0.000 1.291 167 G CA 0.674 45.670 45.100 -0.173 0.000 0.863 167 G HN 1.468 nan 8.290 nan 0.000 0.560 168 Y N -1.558 118.868 120.300 0.209 0.000 2.670 168 Y HA 0.725 5.276 4.550 0.001 0.000 0.334 168 Y C 0.649 176.760 175.900 0.353 0.000 1.185 168 Y CA -0.766 57.552 58.100 0.363 0.000 1.053 168 Y CB 0.843 39.419 38.460 0.192 0.000 1.298 168 Y HN 0.649 nan 8.280 nan 0.000 0.459 169 A N 1.066 124.043 122.820 0.263 0.000 1.849 169 A HA 0.443 4.764 4.320 0.001 0.000 0.214 169 A C -0.481 176.710 177.584 -0.655 0.000 1.269 169 A CA 0.987 52.634 52.037 -0.650 0.000 0.605 169 A CB -0.345 18.004 19.000 -1.086 0.000 0.937 169 A HN 0.565 nan 8.150 nan 0.000 0.461 170 F N -1.331 118.708 119.950 0.148 0.000 2.578 170 F HA 0.524 5.051 4.527 0.001 0.000 0.311 170 F C -0.162 175.922 175.800 0.474 0.000 1.094 170 F CA -1.110 57.062 58.000 0.287 0.000 0.923 170 F CB 1.802 40.859 39.000 0.096 0.000 1.230 170 F HN -0.025 nan 8.300 nan 0.000 0.450 171 K N 2.230 122.966 120.400 0.560 0.000 2.378 171 K HA 0.112 4.433 4.320 0.001 0.000 0.288 171 K C -1.401 175.340 176.600 0.235 0.000 1.057 171 K CA 0.053 56.478 56.287 0.231 0.000 0.971 171 K CB -0.152 32.429 32.500 0.136 0.000 0.975 171 K HN 0.554 nan 8.250 nan 0.000 0.475 172 Y N 3.559 123.858 120.300 -0.002 0.000 2.486 172 Y HA 0.222 4.773 4.550 0.001 0.000 0.348 172 Y C -0.426 175.378 175.900 -0.159 0.000 1.000 172 Y CA 0.236 58.175 58.100 -0.269 0.000 1.253 172 Y CB 0.472 38.677 38.460 -0.425 0.000 1.140 172 Y HN 0.704 nan 8.280 nan 0.000 0.526 173 E N 4.621 124.552 120.200 -0.448 0.000 2.304 173 E HA 0.234 4.585 4.350 0.001 0.000 0.277 173 E C -0.888 175.514 176.600 -0.331 0.000 0.898 173 E CA -0.688 55.557 56.400 -0.259 0.000 0.764 173 E CB 0.767 30.397 29.700 -0.116 0.000 1.216 173 E HN 0.723 nan 8.360 nan 0.000 0.419 174 N N 2.487 121.055 118.700 -0.221 0.000 2.727 174 N HA -0.223 4.518 4.740 0.001 0.000 0.249 174 N C 0.475 175.837 175.510 -0.247 0.000 1.048 174 N CA 1.515 54.460 53.050 -0.175 0.000 0.714 174 N CB -1.371 37.043 38.487 -0.122 0.000 0.959 174 N HN 0.976 nan 8.380 nan 0.000 0.544 175 G N -1.067 107.519 108.800 -0.357 0.000 2.155 175 G HA2 -0.367 3.594 3.960 0.001 0.000 0.257 175 G HA3 -0.367 3.594 3.960 0.001 0.000 0.257 175 G C 0.030 174.618 174.900 -0.520 0.000 0.983 175 G CA 1.366 46.273 45.100 -0.321 0.000 0.676 175 G HN 0.965 nan 8.290 nan 0.000 0.528 176 K N -1.794 118.101 120.400 -0.842 0.000 2.555 176 K HA 0.693 5.014 4.320 0.001 0.000 0.279 176 K C -0.931 175.247 176.600 -0.703 0.000 0.986 176 K CA -1.405 54.516 56.287 -0.609 0.000 0.880 176 K CB 1.082 33.437 32.500 -0.240 0.000 1.474 176 K HN -0.008 nan 8.250 nan 0.000 0.433 177 Y N 0.832 121.028 120.300 -0.173 0.000 2.335 177 Y HA 0.163 4.714 4.550 0.001 0.000 0.331 177 Y C -0.078 175.794 175.900 -0.047 0.000 1.094 177 Y CA 0.028 58.113 58.100 -0.025 0.000 1.253 177 Y CB 1.095 39.588 38.460 0.055 0.000 1.203 177 Y HN 0.633 nan 8.280 nan 0.000 0.508 178 D N 4.296 124.806 120.400 0.183 0.000 2.380 178 D HA 0.084 4.725 4.640 0.001 0.000 0.230 178 D C 0.890 177.318 176.300 0.214 0.000 1.154 178 D CA -0.254 53.832 54.000 0.142 0.000 0.859 178 D CB 0.469 41.349 40.800 0.133 0.000 1.045 178 D HN 0.622 nan 8.370 nan 0.000 0.495 179 I N 0.765 121.377 120.570 0.069 0.000 3.001 179 I HA -0.005 4.165 4.170 0.001 0.000 0.268 179 I C 1.026 177.277 176.117 0.224 0.000 1.267 179 I CA 0.396 61.673 61.300 -0.038 0.000 1.472 179 I CB 0.108 37.994 38.000 -0.190 0.000 1.089 179 I HN -0.001 nan 8.210 nan 0.000 0.468 180 K N 0.597 121.123 120.400 0.209 0.000 2.352 180 K HA 0.125 4.446 4.320 0.001 0.000 0.194 180 K C 0.108 176.847 176.600 0.232 0.000 1.038 180 K CA 0.268 56.676 56.287 0.203 0.000 1.023 180 K CB -0.067 32.511 32.500 0.129 0.000 0.840 180 K HN 0.268 nan 8.250 nan 0.000 0.519 181 D N 1.971 122.541 120.400 0.284 0.000 2.468 181 D HA 0.100 4.740 4.640 0.001 0.000 0.218 181 D C -0.944 175.566 176.300 0.350 0.000 1.155 181 D CA -0.236 53.940 54.000 0.293 0.000 0.924 181 D CB 0.258 41.230 40.800 0.286 0.000 1.029 181 D HN -0.278 nan 8.370 nan 0.000 0.515 182 V N 2.359 122.372 119.914 0.166 0.000 2.435 182 V HA 0.558 4.679 4.120 0.001 0.000 0.290 182 V C 1.371 177.299 176.094 -0.277 0.000 1.030 182 V CA -0.852 61.399 62.300 -0.081 0.000 0.881 182 V CB 1.857 33.611 31.823 -0.116 0.000 0.983 182 V HN 0.544 nan 8.190 nan 0.000 0.445 183 G N 2.061 110.381 108.800 -0.800 0.000 3.814 183 G HA2 0.272 4.232 3.960 0.001 0.000 0.293 183 G HA3 0.272 4.232 3.960 0.001 0.000 0.293 183 G C 0.848 175.457 174.900 -0.485 0.000 1.243 183 G CA 0.519 44.816 45.100 -1.339 0.000 1.053 183 G HN 0.820 nan 8.290 nan 0.000 0.562 184 V N -2.104 117.711 119.914 -0.165 0.000 3.235 184 V HA 0.106 4.226 4.120 0.001 0.000 0.259 184 V C 1.169 177.256 176.094 -0.012 0.000 1.133 184 V CA 1.271 63.594 62.300 0.040 0.000 1.128 184 V CB 0.265 32.150 31.823 0.103 0.000 0.757 184 V HN 0.339 nan 8.190 nan 0.000 0.469 185 D N 1.021 121.391 120.400 -0.049 0.000 2.538 185 D HA 0.090 4.730 4.640 0.001 0.000 0.231 185 D C 0.217 176.506 176.300 -0.018 0.000 1.229 185 D CA -0.293 53.696 54.000 -0.019 0.000 0.828 185 D CB -0.518 40.284 40.800 0.002 0.000 1.035 185 D HN 0.665 nan 8.370 nan 0.000 0.495 186 N N -0.046 118.629 118.700 -0.041 0.000 2.458 186 N HA 0.358 5.099 4.740 0.001 0.000 0.271 186 N C 1.257 176.769 175.510 0.002 0.000 1.210 186 N CA -0.172 52.874 53.050 -0.007 0.000 0.978 186 N CB 0.843 39.336 38.487 0.010 0.000 1.206 186 N HN -0.116 nan 8.380 nan 0.000 0.536 187 A N -0.065 122.767 122.820 0.020 0.000 1.978 187 A HA -0.031 4.290 4.320 0.001 0.000 0.220 187 A C 1.970 179.569 177.584 0.025 0.000 1.170 187 A CA 1.906 53.957 52.037 0.023 0.000 0.636 187 A CB -1.648 17.367 19.000 0.026 0.000 0.810 187 A HN 0.824 nan 8.150 nan 0.000 0.448 188 G N -0.825 107.987 108.800 0.020 0.000 2.408 188 G HA2 0.076 4.037 3.960 0.001 0.000 0.217 188 G HA3 0.076 4.037 3.960 0.001 0.000 0.217 188 G C 1.698 176.589 174.900 -0.016 0.000 1.150 188 G CA 1.258 46.369 45.100 0.019 0.000 0.776 188 G HN 0.760 nan 8.290 nan 0.000 0.542 189 A N 0.982 123.767 122.820 -0.058 0.000 1.873 189 A HA 0.063 4.384 4.320 0.001 0.000 0.215 189 A C 2.290 179.835 177.584 -0.065 0.000 1.186 189 A CA 1.798 53.770 52.037 -0.108 0.000 0.616 189 A CB -0.320 18.625 19.000 -0.092 0.000 0.823 189 A HN 0.340 nan 8.150 nan 0.000 0.442 190 K N -0.128 120.260 120.400 -0.020 0.000 2.063 190 K HA -0.122 4.198 4.320 0.001 0.000 0.208 190 K C 2.315 178.929 176.600 0.024 0.000 1.048 190 K CA 1.230 57.518 56.287 0.001 0.000 0.928 190 K CB -0.371 32.138 32.500 0.015 0.000 0.713 190 K HN 0.439 nan 8.250 nan 0.000 0.442 191 A N 1.321 124.181 122.820 0.067 0.000 1.877 191 A HA -0.110 4.211 4.320 0.001 0.000 0.216 191 A C 2.462 180.130 177.584 0.139 0.000 1.186 191 A CA 2.004 54.148 52.037 0.179 0.000 0.620 191 A CB -1.258 17.893 19.000 0.251 0.000 0.822 191 A HN 0.439 nan 8.150 nan 0.000 0.443 192 G N -0.412 108.350 108.800 -0.063 0.000 2.421 192 G HA2 -0.133 3.828 3.960 0.001 0.000 0.216 192 G HA3 -0.133 3.828 3.960 0.001 0.000 0.216 192 G C 1.490 176.174 174.900 -0.360 0.000 1.171 192 G CA 1.240 46.031 45.100 -0.515 0.000 0.775 192 G HN 0.456 nan 8.290 nan 0.000 0.543 193 L N 0.902 122.021 121.223 -0.175 0.000 2.072 193 L HA 0.063 4.403 4.340 0.001 0.000 0.205 193 L C 2.943 179.777 176.870 -0.060 0.000 1.079 193 L CA 2.333 57.111 54.840 -0.103 0.000 0.752 193 L CB -0.993 41.035 42.059 -0.051 0.000 0.906 193 L HN 0.182 nan 8.230 nan 0.000 0.436 194 T N -0.441 114.102 114.554 -0.018 0.000 2.665 194 T HA -0.272 4.079 4.350 0.001 0.000 0.268 194 T C 1.667 176.383 174.700 0.026 0.000 1.035 194 T CA 2.109 64.220 62.100 0.019 0.000 1.151 194 T CB -0.612 68.295 68.868 0.064 0.000 0.862 194 T HN 0.367 nan 8.240 nan 0.000 0.438 195 F N 1.324 121.203 119.950 -0.118 0.000 2.102 195 F HA -0.065 4.462 4.527 0.001 0.000 0.298 195 F C 2.036 177.757 175.800 -0.131 0.000 1.105 195 F CA 0.898 58.825 58.000 -0.123 0.000 1.239 195 F CB -0.496 38.315 39.000 -0.315 0.000 0.991 195 F HN 0.038 nan 8.300 nan 0.000 0.474 196 L N -0.110 121.073 121.223 -0.066 0.000 2.012 196 L HA -0.173 4.168 4.340 0.001 0.000 0.210 196 L C 2.184 179.007 176.870 -0.078 0.000 1.073 196 L CA 1.693 56.489 54.840 -0.074 0.000 0.748 196 L CB -0.937 41.081 42.059 -0.070 0.000 0.891 196 L HN 0.056 nan 8.230 nan 0.000 0.431 197 V N -0.211 119.659 119.914 -0.072 0.000 2.427 197 V HA -0.249 3.872 4.120 0.001 0.000 0.248 197 V C 2.198 178.244 176.094 -0.080 0.000 1.051 197 V CA 1.772 64.035 62.300 -0.062 0.000 1.048 197 V CB -0.850 30.948 31.823 -0.043 0.000 0.666 197 V HN 0.450 nan 8.190 nan 0.000 0.456 198 D N 0.220 120.550 120.400 -0.117 0.000 2.144 198 D HA -0.103 4.537 4.640 0.001 0.000 0.200 198 D C 2.158 178.379 176.300 -0.132 0.000 0.978 198 D CA 1.037 54.957 54.000 -0.133 0.000 0.833 198 D CB -0.257 40.438 40.800 -0.174 0.000 0.961 198 D HN 0.330 nan 8.370 nan 0.000 0.470 199 L N 0.368 121.490 121.223 -0.169 0.000 2.079 199 L HA -0.169 4.171 4.340 0.001 0.000 0.210 199 L C 2.393 179.253 176.870 -0.017 0.000 1.081 199 L CA 0.860 55.686 54.840 -0.024 0.000 0.752 199 L CB -0.307 41.763 42.059 0.018 0.000 0.896 199 L HN 0.053 nan 8.230 nan 0.000 0.433 200 I N -0.810 119.729 120.570 -0.051 0.000 2.333 200 I HA -0.222 3.949 4.170 0.001 0.000 0.246 200 I C 2.525 178.592 176.117 -0.083 0.000 1.106 200 I CA 0.965 62.229 61.300 -0.060 0.000 1.411 200 I CB -0.274 37.693 38.000 -0.055 0.000 1.082 200 I HN 0.136 nan 8.210 nan 0.000 0.420 201 K N 1.183 121.534 120.400 -0.082 0.000 2.044 201 K HA -0.194 4.127 4.320 0.001 0.000 0.210 201 K C 1.308 177.836 176.600 -0.120 0.000 1.049 201 K CA 2.028 58.265 56.287 -0.083 0.000 0.927 201 K CB -0.374 32.086 32.500 -0.067 0.000 0.713 201 K HN 0.415 nan 8.250 nan 0.000 0.443 202 N N 0.574 119.172 118.700 -0.169 0.000 2.383 202 N HA 0.017 4.758 4.740 0.001 0.000 0.192 202 N C -0.728 174.462 175.510 -0.533 0.000 1.141 202 N CA 0.069 52.937 53.050 -0.304 0.000 0.851 202 N CB 0.307 38.630 38.487 -0.273 0.000 0.976 202 N HN 0.075 nan 8.380 nan 0.000 0.465 203 K N -0.367 119.839 120.400 -0.323 0.000 3.160 203 K HA -0.221 4.099 4.320 0.001 0.000 0.280 203 K C -0.400 176.064 176.600 -0.227 0.000 1.154 203 K CA 0.430 56.578 56.287 -0.231 0.000 0.822 203 K CB -1.637 30.759 32.500 -0.173 0.000 1.239 203 K HN 0.527 nan 8.250 nan 0.000 0.489 204 H N -0.914 118.153 119.070 -0.005 0.000 2.544 204 H HA 0.240 4.797 4.556 0.001 0.000 0.269 204 H C 0.890 176.236 175.328 0.030 0.000 0.970 204 H CA 0.692 56.751 56.048 0.019 0.000 1.219 204 H CB 0.267 30.045 29.762 0.027 0.000 1.421 204 H HN 0.277 nan 8.280 nan 0.000 0.555 205 M N 0.013 119.666 119.600 0.088 0.000 2.618 205 M HA 0.224 4.704 4.480 0.001 0.000 0.281 205 M C -0.600 175.687 176.300 -0.021 0.000 1.267 205 M CA -0.548 54.773 55.300 0.035 0.000 0.845 205 M CB 3.453 36.072 32.600 0.031 0.000 1.732 205 M HN -0.064 nan 8.290 nan 0.000 0.461 206 N N 0.245 118.920 118.700 -0.042 0.000 2.362 206 N HA 0.473 5.214 4.740 0.001 0.000 0.298 206 N C 0.082 175.548 175.510 -0.072 0.000 1.048 206 N CA 0.098 53.117 53.050 -0.051 0.000 0.858 206 N CB 2.131 40.594 38.487 -0.040 0.000 1.218 206 N HN 0.815 nan 8.380 nan 0.000 0.488 207 A N 2.834 125.617 122.820 -0.062 0.000 2.019 207 A HA -0.119 4.202 4.320 0.001 0.000 0.219 207 A C 1.079 178.626 177.584 -0.062 0.000 1.164 207 A CA 1.300 53.299 52.037 -0.064 0.000 0.644 207 A CB -0.100 18.871 19.000 -0.049 0.000 0.805 207 A HN 0.762 nan 8.150 nan 0.000 0.449 208 D N -0.121 120.248 120.400 -0.052 0.000 2.349 208 D HA 0.034 4.675 4.640 0.001 0.000 0.224 208 D C 0.109 176.379 176.300 -0.049 0.000 1.029 208 D CA 0.441 54.416 54.000 -0.042 0.000 0.879 208 D CB -0.354 40.428 40.800 -0.030 0.000 0.906 208 D HN 0.222 nan 8.370 nan 0.000 0.528 209 T N 2.493 117.003 114.554 -0.074 0.000 2.867 209 T HA 0.158 4.509 4.350 0.001 0.000 0.297 209 T C 0.252 174.893 174.700 -0.098 0.000 0.989 209 T CA -0.087 61.960 62.100 -0.088 0.000 1.159 209 T CB 0.796 69.588 68.868 -0.126 0.000 0.928 209 T HN 0.217 nan 8.240 nan 0.000 0.538 210 D N 1.371 121.732 120.400 -0.066 0.000 2.689 210 D HA 0.155 4.796 4.640 0.001 0.000 0.255 210 D C 0.950 177.226 176.300 -0.039 0.000 1.113 210 D CA -1.005 52.971 54.000 -0.041 0.000 1.115 210 D CB 0.126 40.932 40.800 0.009 0.000 1.334 210 D HN 0.333 nan 8.370 nan 0.000 0.621 211 Y N 0.476 120.710 120.300 -0.111 0.000 2.128 211 Y HA -0.236 4.314 4.550 0.001 0.000 0.284 211 Y C 2.557 178.444 175.900 -0.022 0.000 1.154 211 Y CA 3.328 61.369 58.100 -0.098 0.000 1.149 211 Y CB -0.224 38.207 38.460 -0.048 0.000 0.976 211 Y HN 0.454 nan 8.280 nan 0.000 0.505 212 S N -0.512 115.300 115.700 0.188 0.000 2.387 212 S HA -0.161 4.310 4.470 0.001 0.000 0.226 212 S C 2.008 176.628 174.600 0.034 0.000 1.026 212 S CA 1.342 59.623 58.200 0.136 0.000 0.972 212 S CB -0.960 62.323 63.200 0.138 0.000 0.814 212 S HN 0.516 nan 8.310 nan 0.000 0.477 213 I N 2.354 122.931 120.570 0.012 0.000 2.179 213 I HA -0.130 4.040 4.170 0.001 0.000 0.242 213 I C 3.119 179.225 176.117 -0.020 0.000 1.088 213 I CA 1.208 62.507 61.300 -0.003 0.000 1.357 213 I CB -0.668 37.326 38.000 -0.011 0.000 1.051 213 I HN 0.433 nan 8.210 nan 0.000 0.409 214 A N 0.157 122.939 122.820 -0.062 0.000 1.902 214 A HA -0.276 4.045 4.320 0.001 0.000 0.217 214 A C 2.298 179.851 177.584 -0.051 0.000 1.181 214 A CA 2.019 54.020 52.037 -0.061 0.000 0.623 214 A CB -0.650 18.280 19.000 -0.117 0.000 0.818 214 A HN 0.519 nan 8.150 nan 0.000 0.443 215 E N -0.159 119.962 120.200 -0.131 0.000 2.028 215 E HA -0.110 4.241 4.350 0.001 0.000 0.191 215 E C 2.177 178.796 176.600 0.030 0.000 0.988 215 E CA 1.056 57.404 56.400 -0.087 0.000 0.799 215 E CB -0.295 29.327 29.700 -0.130 0.000 0.755 215 E HN 0.504 nan 8.360 nan 0.000 0.447 216 A N 1.227 124.063 122.820 0.026 0.000 1.940 216 A HA -0.162 4.158 4.320 0.001 0.000 0.219 216 A C 2.378 179.986 177.584 0.040 0.000 1.176 216 A CA 1.994 54.053 52.037 0.037 0.000 0.631 216 A CB -0.830 18.189 19.000 0.031 0.000 0.814 216 A HN 0.443 nan 8.150 nan 0.000 0.446 217 A N -1.213 121.636 122.820 0.049 0.000 1.858 217 A HA -0.043 4.278 4.320 0.001 0.000 0.216 217 A C 2.093 179.722 177.584 0.074 0.000 1.190 217 A CA 1.638 53.708 52.037 0.055 0.000 0.617 217 A CB -0.757 18.281 19.000 0.064 0.000 0.827 217 A HN 0.661 nan 8.150 nan 0.000 0.443 218 F N 1.281 121.216 119.950 -0.025 0.000 2.146 218 F HA -0.146 4.381 4.527 0.001 0.000 0.298 218 F C 1.815 177.592 175.800 -0.037 0.000 1.096 218 F CA 1.955 59.938 58.000 -0.028 0.000 1.275 218 F CB -0.174 38.800 39.000 -0.043 0.000 1.008 218 F HN 0.208 nan 8.300 nan 0.000 0.480 219 N N 0.406 119.165 118.700 0.098 0.000 2.459 219 N HA -0.093 4.647 4.740 0.001 0.000 0.181 219 N C 1.265 176.743 175.510 -0.053 0.000 1.046 219 N CA 0.949 54.007 53.050 0.012 0.000 0.904 219 N CB -0.260 38.265 38.487 0.064 0.000 0.964 219 N HN 0.374 nan 8.380 nan 0.000 0.444 220 K N -0.678 119.691 120.400 -0.050 0.000 2.393 220 K HA 0.185 4.506 4.320 0.001 0.000 0.193 220 K C 0.650 177.196 176.600 -0.090 0.000 1.026 220 K CA 0.342 56.598 56.287 -0.052 0.000 1.064 220 K CB 0.487 32.974 32.500 -0.022 0.000 0.833 220 K HN 0.149 nan 8.250 nan 0.000 0.521 221 G N 1.968 110.669 108.800 -0.164 0.000 2.136 221 G HA2 -0.285 3.675 3.960 0.001 0.000 0.242 221 G HA3 -0.285 3.675 3.960 0.001 0.000 0.242 221 G C 0.398 175.228 174.900 -0.115 0.000 0.989 221 G CA 0.420 45.404 45.100 -0.193 0.000 0.682 221 G HN 0.440 nan 8.290 nan 0.000 0.522 222 E N -0.835 119.322 120.200 -0.072 0.000 2.299 222 E HA 0.138 4.489 4.350 0.001 0.000 0.193 222 E C 1.089 177.691 176.600 0.004 0.000 0.998 222 E CA 1.027 57.413 56.400 -0.023 0.000 0.851 222 E CB 0.399 30.098 29.700 -0.003 0.000 0.795 222 E HN 0.334 nan 8.360 nan 0.000 0.492 223 T N -1.314 113.250 114.554 0.015 0.000 2.876 223 T HA 0.480 4.831 4.350 0.001 0.000 0.289 223 T C 0.325 175.090 174.700 0.107 0.000 1.014 223 T CA -0.246 61.907 62.100 0.088 0.000 0.986 223 T CB 1.686 70.648 68.868 0.156 0.000 1.021 223 T HN -0.010 nan 8.240 nan 0.000 0.458 224 A N 4.369 127.271 122.820 0.137 0.000 2.016 224 A HA 0.402 4.722 4.320 0.001 0.000 0.217 224 A C 0.811 178.615 177.584 0.367 0.000 1.162 224 A CA 0.806 52.939 52.037 0.161 0.000 0.662 224 A CB -0.167 18.904 19.000 0.117 0.000 0.812 224 A HN 0.738 nan 8.150 nan 0.000 0.450 225 M N -2.103 117.723 119.600 0.376 0.000 2.593 225 M HA 0.480 4.961 4.480 0.001 0.000 0.290 225 M C -0.630 175.774 176.300 0.173 0.000 1.244 225 M CA -0.271 55.217 55.300 0.314 0.000 0.857 225 M CB 2.526 35.203 32.600 0.128 0.000 1.738 225 M HN 0.067 nan 8.290 nan 0.000 0.461 226 T N 0.939 115.402 114.554 -0.151 0.000 2.816 226 T HA 0.782 5.133 4.350 0.001 0.000 0.299 226 T C -1.926 172.673 174.700 -0.170 0.000 1.230 226 T CA -0.555 61.452 62.100 -0.154 0.000 1.007 226 T CB 1.471 70.138 68.868 -0.334 0.000 1.289 226 T HN 0.578 nan 8.240 nan 0.000 0.508 227 I N 3.567 124.100 120.570 -0.062 0.000 2.410 227 I HA 0.534 4.705 4.170 0.001 0.000 0.286 227 I C -0.189 176.022 176.117 0.156 0.000 1.009 227 I CA -0.700 60.567 61.300 -0.056 0.000 1.111 227 I CB 1.561 39.408 38.000 -0.255 0.000 1.262 227 I HN 0.492 nan 8.210 nan 0.000 0.443 228 N N 3.009 121.750 118.700 0.069 0.000 3.106 228 N HA 0.535 5.276 4.740 0.001 0.000 0.253 228 N C -0.884 174.477 175.510 -0.248 0.000 1.506 228 N CA -0.356 52.755 53.050 0.102 0.000 0.876 228 N CB 2.409 40.890 38.487 -0.011 0.000 1.452 228 N HN 0.620 nan 8.380 nan 0.000 0.542 229 G N 0.047 108.341 108.800 -0.843 0.000 2.552 229 G HA2 0.470 4.431 3.960 0.001 0.000 0.318 229 G HA3 0.470 4.431 3.960 0.001 0.000 0.318 229 G C -1.876 171.983 174.900 -1.735 0.000 1.240 229 G CA -1.060 43.145 45.100 -1.492 0.000 1.002 229 G HN 0.313 nan 8.290 nan 0.000 0.493 230 P HA -0.162 nan 4.420 nan 0.000 0.216 230 P C 1.571 178.057 177.300 -1.357 0.000 1.157 230 P CA 2.096 63.884 63.100 -2.187 0.000 0.880 230 P CB -0.101 30.875 31.700 -1.208 0.000 0.791 231 W N 0.424 121.416 121.300 -0.513 0.000 2.313 231 W HA -0.175 4.485 4.660 0.001 0.000 0.293 231 W C 2.000 178.428 176.519 -0.152 0.000 1.216 231 W CA 1.247 58.442 57.345 -0.250 0.000 1.223 231 W CB -2.097 27.272 29.460 -0.152 0.000 1.138 231 W HN -0.113 nan 8.180 nan 0.000 0.535 232 A N 0.169 122.700 122.820 -0.482 0.000 2.067 232 A HA -0.065 4.256 4.320 0.001 0.000 0.219 232 A C 1.651 179.240 177.584 0.008 0.000 1.158 232 A CA 1.184 53.150 52.037 -0.118 0.000 0.661 232 A CB -1.247 17.627 19.000 -0.211 0.000 0.801 232 A HN 0.475 nan 8.150 nan 0.000 0.452 233 W N -0.038 121.205 121.300 -0.095 0.000 2.402 233 W HA -0.065 4.596 4.660 0.001 0.000 0.286 233 W C 2.720 179.239 176.519 -0.000 0.000 1.221 233 W CA 0.573 57.879 57.345 -0.065 0.000 1.257 233 W CB -1.499 27.984 29.460 0.038 0.000 1.120 233 W HN 0.418 nan 8.180 nan 0.000 0.551 234 S N 0.776 116.617 115.700 0.236 0.000 2.370 234 S HA -0.194 4.277 4.470 0.001 0.000 0.226 234 S C 1.721 176.392 174.600 0.118 0.000 1.033 234 S CA 1.818 60.116 58.200 0.163 0.000 1.011 234 S CB -0.277 62.990 63.200 0.112 0.000 0.852 234 S HN 0.142 nan 8.310 nan 0.000 0.457 235 N N 1.224 119.985 118.700 0.102 0.000 2.270 235 N HA 0.090 4.831 4.740 0.001 0.000 0.181 235 N C 1.642 177.188 175.510 0.059 0.000 1.016 235 N CA 1.100 54.198 53.050 0.079 0.000 0.870 235 N CB -0.413 38.129 38.487 0.092 0.000 0.979 235 N HN 0.511 nan 8.380 nan 0.000 0.431 236 I N 0.666 121.252 120.570 0.026 0.000 2.286 236 I HA -0.184 3.987 4.170 0.001 0.000 0.245 236 I C 1.422 177.568 176.117 0.048 0.000 1.104 236 I CA 0.892 62.159 61.300 -0.055 0.000 1.397 236 I CB -0.259 37.493 38.000 -0.414 0.000 1.072 236 I HN -0.066 nan 8.210 nan 0.000 0.417 237 D N 1.037 121.521 120.400 0.139 0.000 2.116 237 D HA -0.176 4.465 4.640 0.001 0.000 0.193 237 D C 2.218 178.585 176.300 0.111 0.000 0.998 237 D CA 1.937 56.050 54.000 0.188 0.000 0.836 237 D CB -0.541 40.366 40.800 0.177 0.000 0.951 237 D HN 0.277 nan 8.370 nan 0.000 0.449 238 T N -0.048 114.556 114.554 0.084 0.000 2.833 238 T HA -0.137 4.214 4.350 0.001 0.000 0.269 238 T C 2.022 176.750 174.700 0.047 0.000 1.054 238 T CA 1.571 63.706 62.100 0.059 0.000 1.135 238 T CB -0.299 68.600 68.868 0.052 0.000 0.869 238 T HN 0.244 nan 8.240 nan 0.000 0.466 239 S N 0.619 116.346 115.700 0.045 0.000 2.481 239 S HA 0.012 4.483 4.470 0.001 0.000 0.231 239 S C 1.012 175.625 174.600 0.022 0.000 0.996 239 S CA 0.630 58.846 58.200 0.026 0.000 0.942 239 S CB -0.298 62.911 63.200 0.014 0.000 0.768 239 S HN 0.289 nan 8.310 nan 0.000 0.520 240 K N -0.088 120.340 120.400 0.045 0.000 3.209 240 K HA -0.087 4.234 4.320 0.001 0.000 0.289 240 K C -0.570 176.047 176.600 0.029 0.000 1.191 240 K CA 0.746 57.057 56.287 0.040 0.000 0.851 240 K CB -2.586 29.925 32.500 0.018 0.000 1.242 240 K HN 0.419 nan 8.250 nan 0.000 0.480 241 V N 1.392 121.329 119.914 0.038 0.000 2.555 241 V HA 0.065 4.185 4.120 0.001 0.000 0.286 241 V C 0.841 176.995 176.094 0.099 0.000 1.044 241 V CA -0.526 61.774 62.300 -0.000 0.000 1.026 241 V CB 1.244 32.996 31.823 -0.118 0.000 0.981 241 V HN 0.308 nan 8.190 nan 0.000 0.480 242 N N 4.934 123.641 118.700 0.012 0.000 2.421 242 N HA 0.180 4.921 4.740 0.001 0.000 0.260 242 N C -0.869 174.629 175.510 -0.020 0.000 1.173 242 N CA -0.144 52.892 53.050 -0.023 0.000 0.960 242 N CB -0.148 38.304 38.487 -0.058 0.000 1.273 242 N HN 0.611 nan 8.380 nan 0.000 0.497 243 Y N 0.458 120.663 120.300 -0.159 0.000 2.562 243 Y HA 0.869 5.419 4.550 0.001 0.000 0.343 243 Y C 0.116 175.781 175.900 -0.392 0.000 1.025 243 Y CA -1.540 56.429 58.100 -0.218 0.000 1.082 243 Y CB 0.938 39.417 38.460 0.032 0.000 1.264 243 Y HN 0.272 nan 8.280 nan 0.000 0.478 244 G N 0.951 109.349 108.800 -0.671 0.000 2.482 244 G HA2 0.572 4.533 3.960 0.001 0.000 0.317 244 G HA3 0.572 4.533 3.960 0.001 0.000 0.317 244 G C -2.011 172.729 174.900 -0.266 0.000 1.241 244 G CA -1.103 43.602 45.100 -0.657 0.000 0.967 244 G HN 0.663 nan 8.290 nan 0.000 0.482 245 V N 0.939 120.773 119.914 -0.133 0.000 2.370 245 V HA 0.721 4.842 4.120 0.001 0.000 0.283 245 V C 0.430 176.563 176.094 0.065 0.000 1.023 245 V CA -0.327 61.969 62.300 -0.008 0.000 0.857 245 V CB 1.134 32.869 31.823 -0.148 0.000 0.985 245 V HN 0.902 nan 8.190 nan 0.000 0.443 246 T N 3.039 117.668 114.554 0.126 0.000 2.804 246 T HA 0.505 4.855 4.350 0.001 0.000 0.290 246 T C -0.718 173.991 174.700 0.015 0.000 1.099 246 T CA -0.377 61.769 62.100 0.076 0.000 1.011 246 T CB 1.957 70.877 68.868 0.086 0.000 1.291 246 T HN 0.469 nan 8.240 nan 0.000 0.523 247 V N 3.133 123.034 119.914 -0.020 0.000 2.763 247 V HA 0.324 4.445 4.120 0.001 0.000 0.306 247 V C 0.290 176.341 176.094 -0.070 0.000 1.059 247 V CA 0.014 62.291 62.300 -0.037 0.000 1.138 247 V CB -0.110 31.686 31.823 -0.043 0.000 0.940 247 V HN 0.722 nan 8.190 nan 0.000 0.489 248 L N 8.179 129.364 121.223 -0.063 0.000 2.483 248 L HA 0.269 4.610 4.340 0.001 0.000 0.275 248 L C -1.954 174.838 176.870 -0.130 0.000 1.220 248 L CA -1.362 53.416 54.840 -0.103 0.000 0.833 248 L CB 0.168 42.206 42.059 -0.034 0.000 1.102 248 L HN 0.554 nan 8.230 nan 0.000 0.490 249 P HA 0.087 nan 4.420 nan 0.000 0.272 249 P C -0.580 176.722 177.300 0.005 0.000 1.223 249 P CA -0.493 62.440 63.100 -0.278 0.000 0.784 249 P CB 0.475 31.756 31.700 -0.698 0.000 0.923 250 T N -0.825 113.761 114.554 0.055 0.000 2.868 250 T HA 0.461 4.812 4.350 0.001 0.000 0.292 250 T C -0.650 174.239 174.700 0.315 0.000 1.028 250 T CA -0.242 61.943 62.100 0.142 0.000 1.059 250 T CB 0.123 69.015 68.868 0.040 0.000 0.991 250 T HN 0.217 nan 8.240 nan 0.000 0.531 251 F N 1.773 121.745 119.950 0.038 0.000 2.536 251 F HA 0.435 4.962 4.527 0.001 0.000 0.322 251 F C 0.343 176.072 175.800 -0.118 0.000 1.144 251 F CA -1.396 56.545 58.000 -0.100 0.000 0.924 251 F CB 1.241 40.084 39.000 -0.262 0.000 1.181 251 F HN 0.854 nan 8.300 nan 0.000 0.438 252 K N 4.552 124.513 120.400 -0.733 0.000 3.071 252 K HA -0.224 4.097 4.320 0.001 0.000 0.262 252 K C 0.940 177.380 176.600 -0.267 0.000 0.977 252 K CA 0.865 56.813 56.287 -0.563 0.000 0.721 252 K CB -1.920 30.134 32.500 -0.745 0.000 1.293 252 K HN 1.457 nan 8.250 nan 0.000 0.475 253 G N -0.267 108.436 108.800 -0.160 0.000 2.184 253 G HA2 -0.364 3.597 3.960 0.001 0.000 0.264 253 G HA3 -0.364 3.597 3.960 0.001 0.000 0.264 253 G C 0.013 174.876 174.900 -0.061 0.000 0.975 253 G CA 0.997 46.043 45.100 -0.090 0.000 0.642 253 G HN 0.497 nan 8.290 nan 0.000 0.536 254 Q N 0.931 120.695 119.800 -0.059 0.000 2.235 254 Q HA 0.545 4.885 4.340 0.001 0.000 0.256 254 Q C -2.364 173.647 176.000 0.018 0.000 0.951 254 Q CA -2.091 53.697 55.803 -0.024 0.000 0.890 254 Q CB 2.343 31.062 28.738 -0.031 0.000 1.279 254 Q HN 0.238 nan 8.270 nan 0.000 0.444 255 P HA 0.028 nan 4.420 nan 0.000 0.275 255 P C -0.768 176.557 177.300 0.042 0.000 1.228 255 P CA -0.192 62.926 63.100 0.029 0.000 0.786 255 P CB 0.960 32.664 31.700 0.007 0.000 0.927 256 S N 2.122 117.868 115.700 0.077 0.000 2.549 256 S HA 0.048 4.519 4.470 0.001 0.000 0.286 256 S C 0.457 175.056 174.600 -0.001 0.000 1.314 256 S CA 0.009 58.246 58.200 0.061 0.000 1.062 256 S CB -0.204 63.088 63.200 0.154 0.000 0.865 256 S HN 0.285 nan 8.310 nan 0.000 0.498 257 K N 3.882 124.243 120.400 -0.065 0.000 2.432 257 K HA 0.265 4.586 4.320 0.001 0.000 0.226 257 K C -2.607 173.957 176.600 -0.059 0.000 1.057 257 K CA -1.732 54.514 56.287 -0.068 0.000 1.034 257 K CB 0.935 33.369 32.500 -0.110 0.000 1.561 257 K HN 0.398 nan 8.250 nan 0.000 0.492 258 P HA 0.057 nan 4.420 nan 0.000 0.275 258 P C -0.512 176.893 177.300 0.174 0.000 1.227 258 P CA -0.377 62.758 63.100 0.059 0.000 0.781 258 P CB 0.531 32.239 31.700 0.013 0.000 0.906 259 F N 1.668 121.796 119.950 0.297 0.000 2.543 259 F HA 0.021 4.548 4.527 0.001 0.000 0.375 259 F C 0.783 176.770 175.800 0.311 0.000 1.075 259 F CA 0.087 58.294 58.000 0.346 0.000 1.225 259 F CB 0.131 39.398 39.000 0.445 0.000 1.099 259 F HN 0.012 nan 8.300 nan 0.000 0.561 260 V N 4.465 124.714 119.914 0.558 0.000 2.508 260 V HA 0.434 4.555 4.120 0.001 0.000 0.281 260 V C 0.682 177.090 176.094 0.523 0.000 1.041 260 V CA -0.402 62.169 62.300 0.452 0.000 1.016 260 V CB 0.581 32.644 31.823 0.401 0.000 0.984 260 V HN 0.865 nan 8.190 nan 0.000 0.478 261 G N 3.481 112.558 108.800 0.461 0.000 2.416 261 G HA2 0.588 4.549 3.960 0.001 0.000 0.329 261 G HA3 0.588 4.549 3.960 0.001 0.000 0.329 261 G C -1.093 174.017 174.900 0.349 0.000 1.173 261 G CA -0.481 44.887 45.100 0.446 0.000 0.929 261 G HN 0.537 nan 8.290 nan 0.000 0.475 262 V N 3.343 123.495 119.914 0.397 0.000 2.313 262 V HA 0.203 4.324 4.120 0.001 0.000 0.278 262 V C 0.141 176.321 176.094 0.144 0.000 1.017 262 V CA -0.771 61.624 62.300 0.158 0.000 0.823 262 V CB 1.086 32.858 31.823 -0.085 0.000 1.010 262 V HN 0.719 nan 8.190 nan 0.000 0.443 263 L N 5.889 127.170 121.223 0.096 0.000 2.584 263 L HA 0.252 4.593 4.340 0.001 0.000 0.272 263 L C 0.378 177.277 176.870 0.048 0.000 1.195 263 L CA 1.364 56.251 54.840 0.079 0.000 0.920 263 L CB 0.382 42.500 42.059 0.099 0.000 1.173 263 L HN 0.730 nan 8.230 nan 0.000 0.489 264 S N 3.401 119.100 115.700 -0.000 0.000 2.570 264 S HA 0.894 5.365 4.470 0.001 0.000 0.286 264 S C -0.763 173.626 174.600 -0.351 0.000 1.099 264 S CA -0.363 57.684 58.200 -0.255 0.000 0.913 264 S CB 1.878 64.715 63.200 -0.604 0.000 1.085 264 S HN 0.894 nan 8.310 nan 0.000 0.480 265 A N 1.374 123.911 122.820 -0.473 0.000 2.310 265 A HA 0.770 5.090 4.320 0.001 0.000 0.304 265 A C 0.191 177.645 177.584 -0.216 0.000 1.231 265 A CA -0.600 51.067 52.037 -0.617 0.000 0.799 265 A CB 0.417 18.844 19.000 -0.955 0.000 1.162 265 A HN 0.897 nan 8.150 nan 0.000 0.486 266 G N 1.103 109.915 108.800 0.020 0.000 2.410 266 G HA2 0.584 4.545 3.960 0.001 0.000 0.330 266 G HA3 0.584 4.545 3.960 0.001 0.000 0.330 266 G C -0.542 174.410 174.900 0.086 0.000 1.142 266 G CA -0.625 44.578 45.100 0.171 0.000 0.902 266 G HN 0.675 nan 8.290 nan 0.000 0.491 267 I N 1.707 122.344 120.570 0.111 0.000 2.339 267 I HA 0.117 4.288 4.170 0.001 0.000 0.290 267 I C 0.124 176.302 176.117 0.102 0.000 0.994 267 I CA -0.941 60.411 61.300 0.087 0.000 1.191 267 I CB 1.460 39.523 38.000 0.105 0.000 1.343 267 I HN 0.348 nan 8.210 nan 0.000 0.458 268 N N 4.608 123.366 118.700 0.097 0.000 2.359 268 N HA -0.036 4.705 4.740 0.001 0.000 0.261 268 N C 0.944 176.492 175.510 0.063 0.000 1.267 268 N CA 0.418 53.547 53.050 0.131 0.000 0.864 268 N CB 1.370 39.903 38.487 0.075 0.000 1.063 268 N HN 0.803 nan 8.380 nan 0.000 0.474 269 A N 4.069 126.923 122.820 0.057 0.000 2.024 269 A HA -0.094 4.227 4.320 0.001 0.000 0.220 269 A C 1.818 179.399 177.584 -0.005 0.000 1.164 269 A CA 1.877 53.929 52.037 0.026 0.000 0.643 269 A CB -0.460 18.552 19.000 0.020 0.000 0.806 269 A HN 0.760 nan 8.150 nan 0.000 0.451 270 A N -0.809 121.991 122.820 -0.033 0.000 2.251 270 A HA 0.367 4.687 4.320 0.001 0.000 0.209 270 A C 1.290 178.849 177.584 -0.042 0.000 1.187 270 A CA 0.655 52.662 52.037 -0.050 0.000 0.823 270 A CB -0.469 18.478 19.000 -0.088 0.000 0.846 270 A HN 0.424 nan 8.150 nan 0.000 0.486 271 S N 1.204 116.888 115.700 -0.027 0.000 2.533 271 S HA 0.281 4.752 4.470 0.001 0.000 0.282 271 S C -1.419 173.172 174.600 -0.014 0.000 1.304 271 S CA -0.943 57.241 58.200 -0.026 0.000 1.063 271 S CB 0.737 63.929 63.200 -0.014 0.000 0.881 271 S HN 0.298 nan 8.310 nan 0.000 0.493 272 P HA 0.184 nan 4.420 nan 0.000 0.257 272 P C -0.395 176.906 177.300 0.002 0.000 1.281 272 P CA 0.144 63.240 63.100 -0.008 0.000 0.826 272 P CB -0.014 31.679 31.700 -0.012 0.000 1.237 273 N N 0.245 118.946 118.700 0.002 0.000 2.480 273 N HA 0.127 4.867 4.740 0.001 0.000 0.281 273 N C 0.925 176.449 175.510 0.023 0.000 1.381 273 N CA -0.221 52.836 53.050 0.012 0.000 0.903 273 N CB 0.568 39.055 38.487 -0.000 0.000 1.274 273 N HN 0.168 nan 8.380 nan 0.000 0.505 274 K N 0.749 121.166 120.400 0.029 0.000 2.148 274 K HA -0.103 4.217 4.320 0.001 0.000 0.204 274 K C 1.049 177.683 176.600 0.058 0.000 1.050 274 K CA 1.245 57.558 56.287 0.043 0.000 0.942 274 K CB 0.342 32.867 32.500 0.043 0.000 0.724 274 K HN 0.154 nan 8.250 nan 0.000 0.446 275 E N 1.070 121.304 120.200 0.056 0.000 2.046 275 E HA -0.089 4.261 4.350 0.001 0.000 0.190 275 E C 1.948 178.605 176.600 0.094 0.000 0.982 275 E CA 0.770 57.211 56.400 0.068 0.000 0.800 275 E CB -0.149 29.587 29.700 0.060 0.000 0.756 275 E HN 0.145 nan 8.360 nan 0.000 0.449 276 L N 0.516 121.802 121.223 0.105 0.000 2.042 276 L HA -0.199 4.142 4.340 0.001 0.000 0.210 276 L C 2.461 179.386 176.870 0.091 0.000 1.076 276 L CA 1.152 56.095 54.840 0.173 0.000 0.749 276 L CB -0.639 41.519 42.059 0.165 0.000 0.893 276 L HN 0.182 nan 8.230 nan 0.000 0.432 277 A N 0.382 123.220 122.820 0.031 0.000 1.877 277 A HA -0.265 4.056 4.320 0.001 0.000 0.216 277 A C 2.415 180.012 177.584 0.022 0.000 1.186 277 A CA 2.073 54.111 52.037 0.003 0.000 0.620 277 A CB -0.468 18.545 19.000 0.021 0.000 0.822 277 A HN 0.366 nan 8.150 nan 0.000 0.443 278 K N -0.587 119.837 120.400 0.040 0.000 2.026 278 K HA -0.197 4.124 4.320 0.001 0.000 0.208 278 K C 2.002 178.561 176.600 -0.068 0.000 1.048 278 K CA 1.572 57.853 56.287 -0.009 0.000 0.929 278 K CB -0.179 32.364 32.500 0.072 0.000 0.713 278 K HN 0.388 nan 8.250 nan 0.000 0.439 279 E N 0.216 120.454 120.200 0.063 0.000 2.038 279 E HA -0.218 4.133 4.350 0.001 0.000 0.195 279 E C 1.846 178.576 176.600 0.216 0.000 1.000 279 E CA 1.373 57.881 56.400 0.180 0.000 0.803 279 E CB -0.355 29.550 29.700 0.342 0.000 0.750 279 E HN 0.363 nan 8.360 nan 0.000 0.448 280 F N 1.325 121.193 119.950 -0.137 0.000 2.069 280 F HA -0.212 4.316 4.527 0.001 0.000 0.298 280 F C 2.266 177.980 175.800 -0.145 0.000 1.113 280 F CA 1.405 59.150 58.000 -0.427 0.000 1.214 280 F CB -0.409 38.045 39.000 -0.910 0.000 0.978 280 F HN -0.059 nan 8.300 nan 0.000 0.474 281 L N -0.093 121.001 121.223 -0.214 0.000 2.005 281 L HA -0.183 4.157 4.340 0.001 0.000 0.207 281 L C 2.500 179.129 176.870 -0.402 0.000 1.072 281 L CA 1.792 56.402 54.840 -0.382 0.000 0.744 281 L CB -0.783 40.932 42.059 -0.573 0.000 0.895 281 L HN 0.175 nan 8.230 nan 0.000 0.433 282 E N -0.121 119.792 120.200 -0.479 0.000 2.046 282 E HA -0.131 4.220 4.350 0.001 0.000 0.190 282 E C 1.537 178.091 176.600 -0.076 0.000 0.982 282 E CA 0.964 57.071 56.400 -0.488 0.000 0.800 282 E CB 0.015 29.225 29.700 -0.817 0.000 0.756 282 E HN 0.457 nan 8.360 nan 0.000 0.449 283 N N -1.004 117.679 118.700 -0.029 0.000 2.325 283 N HA 0.024 4.765 4.740 0.001 0.000 0.182 283 N C 0.651 176.072 175.510 -0.149 0.000 1.088 283 N CA 0.563 53.615 53.050 0.002 0.000 0.879 283 N CB 0.454 38.988 38.487 0.078 0.000 0.983 283 N HN 0.188 nan 8.380 nan 0.000 0.471 284 Y N -0.397 119.813 120.300 -0.151 0.000 2.697 284 Y HA 0.192 4.743 4.550 0.001 0.000 0.268 284 Y C 1.767 177.479 175.900 -0.314 0.000 1.092 284 Y CA -0.255 57.723 58.100 -0.204 0.000 1.304 284 Y CB -0.367 37.965 38.460 -0.212 0.000 1.446 284 Y HN -0.152 nan 8.280 nan 0.000 0.491 285 L N 0.447 121.449 121.223 -0.367 0.000 2.007 285 L HA 0.020 4.361 4.340 0.001 0.000 0.205 285 L C 0.867 177.670 176.870 -0.111 0.000 1.073 285 L CA 1.859 56.527 54.840 -0.286 0.000 0.744 285 L CB -0.785 41.077 42.059 -0.328 0.000 0.898 285 L HN 0.138 nan 8.230 nan 0.000 0.435 286 L N 1.405 122.599 121.223 -0.047 0.000 2.650 286 L HA 0.151 4.492 4.340 0.001 0.000 0.239 286 L C -0.002 176.892 176.870 0.041 0.000 1.412 286 L CA -0.032 54.842 54.840 0.056 0.000 1.219 286 L CB -1.451 40.751 42.059 0.238 0.000 1.534 286 L HN 0.444 nan 8.230 nan 0.000 0.430 287 T N -6.487 108.040 114.554 -0.047 0.000 2.887 287 T HA 0.285 4.635 4.350 0.001 0.000 0.292 287 T C 0.659 175.263 174.700 -0.160 0.000 1.087 287 T CA -0.886 61.169 62.100 -0.075 0.000 1.009 287 T CB 2.002 70.811 68.868 -0.098 0.000 1.203 287 T HN -0.028 nan 8.240 nan 0.000 0.518 288 D N 0.748 121.052 120.400 -0.160 0.000 2.116 288 D HA -0.106 4.535 4.640 0.001 0.000 0.193 288 D C 1.756 177.782 176.300 -0.456 0.000 0.998 288 D CA 1.691 55.505 54.000 -0.312 0.000 0.836 288 D CB -0.060 40.689 40.800 -0.085 0.000 0.951 288 D HN 0.748 nan 8.370 nan 0.000 0.449 289 E N 0.252 120.309 120.200 -0.238 0.000 2.072 289 E HA -0.022 4.329 4.350 0.001 0.000 0.191 289 E C 2.209 178.704 176.600 -0.175 0.000 0.985 289 E CA 1.123 57.417 56.400 -0.177 0.000 0.801 289 E CB -0.608 29.032 29.700 -0.101 0.000 0.750 289 E HN 0.304 nan 8.360 nan 0.000 0.452 290 G N 0.917 109.618 108.800 -0.165 0.000 2.414 290 G HA2 -0.218 3.743 3.960 0.001 0.000 0.215 290 G HA3 -0.218 3.743 3.960 0.001 0.000 0.215 290 G C 1.535 176.353 174.900 -0.137 0.000 1.188 290 G CA 0.585 45.612 45.100 -0.122 0.000 0.783 290 G HN 0.135 nan 8.290 nan 0.000 0.537 291 L N 0.299 121.396 121.223 -0.210 0.000 2.131 291 L HA -0.027 4.313 4.340 0.001 0.000 0.210 291 L C 2.730 179.474 176.870 -0.211 0.000 1.092 291 L CA 1.319 56.054 54.840 -0.175 0.000 0.759 291 L CB -0.321 41.649 42.059 -0.148 0.000 0.903 291 L HN 0.398 nan 8.230 nan 0.000 0.435 292 E N 0.643 120.566 120.200 -0.461 0.000 2.077 292 E HA -0.244 4.107 4.350 0.001 0.000 0.193 292 E C 2.257 178.844 176.600 -0.021 0.000 0.989 292 E CA 1.205 57.483 56.400 -0.204 0.000 0.800 292 E CB 0.013 29.574 29.700 -0.230 0.000 0.746 292 E HN 0.436 nan 8.360 nan 0.000 0.452 293 A N 0.541 123.332 122.820 -0.048 0.000 1.908 293 A HA -0.163 4.158 4.320 0.001 0.000 0.218 293 A C 2.389 179.979 177.584 0.010 0.000 1.181 293 A CA 1.720 53.755 52.037 -0.003 0.000 0.627 293 A CB -0.672 18.329 19.000 0.002 0.000 0.818 293 A HN 0.241 nan 8.150 nan 0.000 0.445 294 V N 0.303 120.220 119.914 0.005 0.000 2.323 294 V HA -0.205 3.916 4.120 0.001 0.000 0.244 294 V C 2.359 178.475 176.094 0.038 0.000 1.041 294 V CA 2.166 64.472 62.300 0.009 0.000 1.025 294 V CB -1.115 30.712 31.823 0.005 0.000 0.656 294 V HN 0.719 nan 8.190 nan 0.000 0.451 295 N N 0.338 119.090 118.700 0.086 0.000 2.166 295 N HA -0.186 4.555 4.740 0.001 0.000 0.186 295 N C 1.793 177.378 175.510 0.125 0.000 1.019 295 N CA 1.417 54.550 53.050 0.139 0.000 0.856 295 N CB -0.160 38.482 38.487 0.258 0.000 0.993 295 N HN 0.405 nan 8.380 nan 0.000 0.426 296 K N -0.100 120.365 120.400 0.107 0.000 2.063 296 K HA -0.174 4.146 4.320 0.001 0.000 0.208 296 K C 1.417 178.052 176.600 0.058 0.000 1.048 296 K CA 1.441 57.781 56.287 0.088 0.000 0.928 296 K CB -0.211 32.331 32.500 0.070 0.000 0.713 296 K HN 0.300 nan 8.250 nan 0.000 0.442 297 D N 0.606 121.022 120.400 0.025 0.000 2.081 297 D HA -0.077 4.563 4.640 0.001 0.000 0.194 297 D C -0.039 176.259 176.300 -0.005 0.000 0.986 297 D CA 1.411 55.399 54.000 -0.019 0.000 0.837 297 D CB 0.352 41.106 40.800 -0.077 0.000 0.985 297 D HN -0.145 nan 8.370 nan 0.000 0.448 298 K N 0.415 120.817 120.400 0.005 0.000 2.541 298 K HA 0.391 4.712 4.320 0.001 0.000 0.250 298 K C -2.629 174.009 176.600 0.063 0.000 0.950 298 K CA -2.150 54.161 56.287 0.041 0.000 0.805 298 K CB 1.960 34.476 32.500 0.027 0.000 1.166 298 K HN -0.006 nan 8.250 nan 0.000 0.430 299 P HA 0.068 nan 4.420 nan 0.000 0.262 299 P C 0.599 177.897 177.300 -0.004 0.000 1.182 299 P CA 0.086 63.217 63.100 0.052 0.000 0.761 299 P CB 0.556 32.286 31.700 0.050 0.000 0.795 300 L N 1.958 123.217 121.223 0.060 0.000 2.418 300 L HA 0.157 4.497 4.340 0.001 0.000 0.218 300 L C 1.575 178.476 176.870 0.052 0.000 1.125 300 L CA 1.114 56.002 54.840 0.080 0.000 0.835 300 L CB -0.693 41.438 42.059 0.121 0.000 0.953 300 L HN 0.754 nan 8.230 nan 0.000 0.454 301 G N -0.003 108.798 108.800 0.001 0.000 2.578 301 G HA2 -0.199 3.762 3.960 0.001 0.000 0.232 301 G HA3 -0.199 3.762 3.960 0.001 0.000 0.232 301 G C -0.252 174.698 174.900 0.083 0.000 1.176 301 G CA -0.280 44.828 45.100 0.013 0.000 0.968 301 G HN 0.360 nan 8.290 nan 0.000 0.583 302 A N 0.734 123.597 122.820 0.072 0.000 2.366 302 A HA 0.734 5.054 4.320 0.001 0.000 0.322 302 A C 0.792 178.429 177.584 0.087 0.000 1.397 302 A CA 0.549 52.620 52.037 0.056 0.000 0.984 302 A CB -0.062 18.937 19.000 -0.002 0.000 1.149 302 A HN 2.277 nan 8.150 nan 0.000 0.540 303 V N 0.876 120.866 119.914 0.126 0.000 2.843 303 V HA 0.434 4.554 4.120 0.001 0.000 0.305 303 V C 1.256 177.469 176.094 0.199 0.000 1.065 303 V CA 0.367 62.766 62.300 0.166 0.000 1.116 303 V CB 0.440 32.404 31.823 0.235 0.000 0.968 303 V HN 1.071 nan 8.190 nan 0.000 0.487 304 A N 3.819 126.728 122.820 0.148 0.000 2.015 304 A HA 0.090 4.411 4.320 0.001 0.000 0.219 304 A C 1.241 178.878 177.584 0.088 0.000 1.163 304 A CA 0.815 52.939 52.037 0.145 0.000 0.646 304 A CB -0.504 18.470 19.000 -0.045 0.000 0.806 304 A HN 1.054 nan 8.150 nan 0.000 0.448 305 L N 0.870 122.119 121.223 0.044 0.000 2.456 305 L HA 0.138 4.478 4.340 0.001 0.000 0.277 305 L C 1.099 177.949 176.870 -0.033 0.000 1.124 305 L CA 0.282 55.100 54.840 -0.037 0.000 0.880 305 L CB 0.218 42.285 42.059 0.013 0.000 1.192 305 L HN 0.272 nan 8.230 nan 0.000 0.463 306 K N 1.577 121.815 120.400 -0.271 0.000 2.074 306 K HA -0.214 4.106 4.320 0.001 0.000 0.209 306 K C 2.015 178.581 176.600 -0.057 0.000 1.048 306 K CA 1.909 57.986 56.287 -0.351 0.000 0.926 306 K CB -0.144 32.052 32.500 -0.507 0.000 0.713 306 K HN 0.913 nan 8.250 nan 0.000 0.444 307 S N 0.176 115.860 115.700 -0.026 0.000 2.356 307 S HA -0.208 4.263 4.470 0.001 0.000 0.223 307 S C 2.058 176.732 174.600 0.123 0.000 1.032 307 S CA 1.022 59.245 58.200 0.039 0.000 1.005 307 S CB -0.624 62.595 63.200 0.033 0.000 0.867 307 S HN 0.350 nan 8.310 nan 0.000 0.449 308 Y N 2.149 122.453 120.300 0.006 0.000 2.395 308 Y HA 0.182 4.733 4.550 0.001 0.000 0.293 308 Y C 2.624 178.559 175.900 0.058 0.000 1.123 308 Y CA 0.986 59.104 58.100 0.030 0.000 1.227 308 Y CB -0.317 38.159 38.460 0.028 0.000 1.012 308 Y HN 0.261 nan 8.280 nan 0.000 0.552 309 E N 0.850 121.102 120.200 0.087 0.000 2.077 309 E HA -0.230 4.121 4.350 0.001 0.000 0.193 309 E C 1.758 178.365 176.600 0.011 0.000 0.989 309 E CA 1.628 58.066 56.400 0.063 0.000 0.800 309 E CB -0.000 29.859 29.700 0.266 0.000 0.746 309 E HN 0.656 nan 8.360 nan 0.000 0.452 310 E N 0.326 120.554 120.200 0.047 0.000 2.110 310 E HA -0.206 4.145 4.350 0.001 0.000 0.193 310 E C 2.082 178.663 176.600 -0.032 0.000 0.988 310 E CA 1.084 57.498 56.400 0.024 0.000 0.804 310 E CB -0.112 29.611 29.700 0.039 0.000 0.745 310 E HN 0.330 nan 8.360 nan 0.000 0.458 311 E N 0.222 120.379 120.200 -0.072 0.000 2.153 311 E HA -0.189 4.162 4.350 0.001 0.000 0.194 311 E C 1.429 177.928 176.600 -0.168 0.000 0.988 311 E CA 0.737 57.071 56.400 -0.109 0.000 0.811 311 E CB 0.223 29.858 29.700 -0.109 0.000 0.746 311 E HN 0.085 nan 8.360 nan 0.000 0.466 312 L N -0.207 120.872 121.223 -0.241 0.000 2.554 312 L HA 0.239 4.579 4.340 0.001 0.000 0.225 312 L C 1.917 178.731 176.870 -0.093 0.000 1.104 312 L CA 0.787 55.508 54.840 -0.199 0.000 0.866 312 L CB -0.083 41.806 42.059 -0.282 0.000 1.047 312 L HN 0.113 nan 8.230 nan 0.000 0.468 313 A N -0.438 122.340 122.820 -0.069 0.000 2.070 313 A HA -0.198 4.123 4.320 0.001 0.000 0.220 313 A C 2.266 179.825 177.584 -0.041 0.000 1.159 313 A CA 1.300 53.313 52.037 -0.040 0.000 0.656 313 A CB -0.342 18.644 19.000 -0.024 0.000 0.800 313 A HN 0.367 nan 8.150 nan 0.000 0.453 314 K N 0.167 120.538 120.400 -0.047 0.000 2.097 314 K HA -0.126 4.195 4.320 0.001 0.000 0.206 314 K C 0.368 176.932 176.600 -0.059 0.000 1.049 314 K CA 0.755 57.013 56.287 -0.048 0.000 0.933 314 K CB -0.258 32.215 32.500 -0.047 0.000 0.717 314 K HN 0.419 nan 8.250 nan 0.000 0.442 315 D N 1.342 121.703 120.400 -0.064 0.000 2.570 315 D HA -0.056 4.584 4.640 0.001 0.000 0.243 315 D C -1.596 174.646 176.300 -0.098 0.000 1.171 315 D CA -1.216 52.733 54.000 -0.086 0.000 0.879 315 D CB 1.071 41.831 40.800 -0.066 0.000 1.143 315 D HN 0.025 nan 8.370 nan 0.000 0.511 316 P HA -0.076 nan 4.420 nan 0.000 0.223 316 P C 1.111 178.318 177.300 -0.153 0.000 1.151 316 P CA 0.727 63.753 63.100 -0.124 0.000 0.787 316 P CB 0.366 31.987 31.700 -0.132 0.000 0.788 317 R N -0.451 119.888 120.500 -0.269 0.000 2.075 317 R HA -0.023 4.317 4.340 0.001 0.000 0.232 317 R C 2.290 178.546 176.300 -0.074 0.000 1.126 317 R CA 1.035 56.886 56.100 -0.415 0.000 0.963 317 R CB -0.678 28.939 30.300 -1.140 0.000 0.858 317 R HN 0.162 nan 8.270 nan 0.000 0.435 318 I N 0.975 121.561 120.570 0.028 0.000 2.252 318 I HA -0.149 4.021 4.170 0.001 0.000 0.245 318 I C 2.547 178.703 176.117 0.065 0.000 1.102 318 I CA 1.146 62.542 61.300 0.160 0.000 1.385 318 I CB -1.445 36.620 38.000 0.109 0.000 1.064 318 I HN 0.126 nan 8.210 nan 0.000 0.414 319 A N 1.150 123.971 122.820 0.002 0.000 1.908 319 A HA -0.163 4.157 4.320 0.001 0.000 0.218 319 A C 2.571 180.152 177.584 -0.005 0.000 1.181 319 A CA 2.229 54.257 52.037 -0.016 0.000 0.627 319 A CB -0.767 18.211 19.000 -0.036 0.000 0.818 319 A HN 0.421 nan 8.150 nan 0.000 0.445 320 A N -1.226 121.596 122.820 0.003 0.000 1.930 320 A HA -0.027 4.294 4.320 0.001 0.000 0.217 320 A C 2.283 179.896 177.584 0.049 0.000 1.175 320 A CA 2.141 54.188 52.037 0.017 0.000 0.627 320 A CB -1.218 17.790 19.000 0.013 0.000 0.815 320 A HN 0.435 nan 8.150 nan 0.000 0.443 321 T N 0.293 114.908 114.554 0.102 0.000 2.684 321 T HA -0.176 4.175 4.350 0.001 0.000 0.267 321 T C 1.916 176.644 174.700 0.046 0.000 1.036 321 T CA 1.800 63.964 62.100 0.107 0.000 1.148 321 T CB -0.266 68.700 68.868 0.164 0.000 0.863 321 T HN 0.283 nan 8.240 nan 0.000 0.436 322 M N 0.884 120.496 119.600 0.020 0.000 2.254 322 M HA 0.049 4.529 4.480 0.001 0.000 0.265 322 M C 2.257 178.536 176.300 -0.035 0.000 1.066 322 M CA 1.080 56.363 55.300 -0.029 0.000 1.123 322 M CB -1.080 31.485 32.600 -0.059 0.000 1.388 322 M HN 0.386 nan 8.290 nan 0.000 0.425 323 E N 0.565 120.754 120.200 -0.020 0.000 2.051 323 E HA -0.198 4.153 4.350 0.001 0.000 0.192 323 E C 1.758 178.350 176.600 -0.012 0.000 0.991 323 E CA 1.206 57.593 56.400 -0.022 0.000 0.799 323 E CB 0.153 29.841 29.700 -0.018 0.000 0.748 323 E HN 0.427 nan 8.360 nan 0.000 0.449 324 N N 0.301 119.002 118.700 0.002 0.000 2.188 324 N HA -0.120 4.620 4.740 0.001 0.000 0.184 324 N C 1.696 177.218 175.510 0.021 0.000 1.018 324 N CA 1.154 54.210 53.050 0.010 0.000 0.858 324 N CB -0.312 38.184 38.487 0.015 0.000 0.989 324 N HN 0.239 nan 8.380 nan 0.000 0.426 325 A N 1.079 123.912 122.820 0.022 0.000 1.908 325 A HA -0.211 4.109 4.320 0.001 0.000 0.218 325 A C 2.254 179.844 177.584 0.009 0.000 1.181 325 A CA 1.490 53.547 52.037 0.033 0.000 0.627 325 A CB -0.665 18.339 19.000 0.007 0.000 0.818 325 A HN 0.191 nan 8.150 nan 0.000 0.445 326 Q N -0.091 119.691 119.800 -0.029 0.000 2.061 326 Q HA -0.153 4.187 4.340 0.001 0.000 0.204 326 Q C 1.920 177.917 176.000 -0.006 0.000 0.984 326 Q CA 2.217 57.996 55.803 -0.039 0.000 0.846 326 Q CB -0.233 28.475 28.738 -0.050 0.000 0.902 326 Q HN 0.704 nan 8.270 nan 0.000 0.421 327 K N -0.793 119.608 120.400 0.002 0.000 2.365 327 K HA 0.075 4.396 4.320 0.001 0.000 0.199 327 K C 0.920 177.532 176.600 0.021 0.000 1.045 327 K CA 0.524 56.815 56.287 0.007 0.000 0.962 327 K CB 0.121 32.621 32.500 0.001 0.000 0.759 327 K HN 0.224 nan 8.250 nan 0.000 0.469 328 G N 0.630 109.456 108.800 0.042 0.000 2.606 328 G HA2 0.233 4.194 3.960 0.001 0.000 0.262 328 G HA3 0.233 4.194 3.960 0.001 0.000 0.262 328 G C -1.030 173.937 174.900 0.112 0.000 1.394 328 G CA -0.281 44.859 45.100 0.065 0.000 1.044 328 G HN -0.016 nan 8.290 nan 0.000 0.553 329 E N -1.315 118.990 120.200 0.175 0.000 2.266 329 E HA 0.466 4.816 4.350 0.001 0.000 0.268 329 E C -0.578 176.292 176.600 0.451 0.000 0.879 329 E CA -0.743 55.818 56.400 0.267 0.000 0.762 329 E CB 2.151 31.999 29.700 0.246 0.000 1.199 329 E HN 0.372 nan 8.360 nan 0.000 0.422 330 I N 3.743 124.569 120.570 0.427 0.000 2.588 330 I HA 0.109 4.279 4.170 0.001 0.000 0.283 330 I C -0.006 176.407 176.117 0.493 0.000 1.119 330 I CA -0.200 61.381 61.300 0.468 0.000 1.419 330 I CB 0.377 38.582 38.000 0.341 0.000 1.394 330 I HN 0.579 nan 8.210 nan 0.000 0.562 331 M N 8.945 128.806 119.600 0.436 0.000 2.248 331 M HA 0.169 4.649 4.480 0.001 0.000 0.345 331 M C -2.137 174.207 176.300 0.074 0.000 1.243 331 M CA -1.231 54.057 55.300 -0.021 0.000 1.090 331 M CB -0.063 32.364 32.600 -0.287 0.000 1.683 331 M HN 0.352 nan 8.290 nan 0.000 0.450 332 P HA 0.029 nan 4.420 nan 0.000 0.270 332 P C -0.388 176.812 177.300 -0.166 0.000 1.223 332 P CA -0.041 62.918 63.100 -0.235 0.000 0.785 332 P CB 0.354 31.606 31.700 -0.746 0.000 0.923 333 N N 1.117 119.800 118.700 -0.029 0.000 2.204 333 N HA 0.044 4.785 4.740 0.001 0.000 0.219 333 N C 0.332 175.803 175.510 -0.065 0.000 1.151 333 N CA -0.285 52.752 53.050 -0.022 0.000 0.867 333 N CB -0.774 37.797 38.487 0.140 0.000 1.043 333 N HN 0.406 nan 8.380 nan 0.000 0.516 334 I N -2.351 118.169 120.570 -0.083 0.000 2.892 334 I HA 0.248 4.419 4.170 0.001 0.000 0.287 334 I C -1.521 174.501 176.117 -0.159 0.000 1.205 334 I CA -1.516 59.749 61.300 -0.059 0.000 1.409 334 I CB 0.407 38.326 38.000 -0.134 0.000 1.367 334 I HN -0.293 nan 8.210 nan 0.000 0.597 335 P HA -0.167 nan 4.420 nan 0.000 0.218 335 P C 0.984 178.213 177.300 -0.118 0.000 1.146 335 P CA 1.405 64.417 63.100 -0.147 0.000 0.813 335 P CB 0.026 31.670 31.700 -0.093 0.000 0.778 336 Q N -2.049 117.651 119.800 -0.166 0.000 2.515 336 Q HA 0.046 4.386 4.340 0.001 0.000 0.212 336 Q C 1.837 177.849 176.000 0.020 0.000 0.970 336 Q CA 0.749 56.471 55.803 -0.135 0.000 0.941 336 Q CB -0.688 27.830 28.738 -0.367 0.000 0.998 336 Q HN 0.209 nan 8.270 nan 0.000 0.518 337 M N -0.290 119.296 119.600 -0.024 0.000 2.159 337 M HA -0.130 4.350 4.480 0.001 0.000 0.263 337 M C 2.045 178.461 176.300 0.192 0.000 1.063 337 M CA 1.761 57.094 55.300 0.054 0.000 1.110 337 M CB -1.090 31.473 32.600 -0.062 0.000 1.374 337 M HN 0.335 nan 8.290 nan 0.000 0.411 338 S N 0.412 116.220 115.700 0.179 0.000 2.383 338 S HA -0.028 4.443 4.470 0.001 0.000 0.227 338 S C 2.118 176.863 174.600 0.241 0.000 1.026 338 S CA 1.091 59.437 58.200 0.242 0.000 0.981 338 S CB -0.673 62.588 63.200 0.101 0.000 0.818 338 S HN 0.425 nan 8.310 nan 0.000 0.472 339 A N 1.533 124.467 122.820 0.189 0.000 1.902 339 A HA 0.063 4.384 4.320 0.001 0.000 0.217 339 A C 1.957 179.693 177.584 0.253 0.000 1.181 339 A CA 1.444 53.602 52.037 0.202 0.000 0.623 339 A CB -1.120 17.979 19.000 0.164 0.000 0.818 339 A HN 0.613 nan 8.150 nan 0.000 0.443 340 F N -0.793 119.212 119.950 0.091 0.000 2.095 340 F HA -0.200 4.328 4.527 0.001 0.000 0.298 340 F C 2.010 177.732 175.800 -0.131 0.000 1.104 340 F CA 1.758 59.689 58.000 -0.116 0.000 1.232 340 F CB -0.552 38.248 39.000 -0.333 0.000 0.987 340 F HN 0.394 nan 8.300 nan 0.000 0.475 341 W N -1.067 120.148 121.300 -0.141 0.000 2.381 341 W HA -0.201 4.459 4.660 0.001 0.000 0.301 341 W C 2.516 178.940 176.519 -0.159 0.000 1.205 341 W CA 1.253 58.445 57.345 -0.255 0.000 1.285 341 W CB -0.952 28.502 29.460 -0.011 0.000 1.133 341 W HN 0.224 nan 8.180 nan 0.000 0.521 342 Y N 1.323 121.695 120.300 0.119 0.000 2.128 342 Y HA -0.296 4.255 4.550 0.001 0.000 0.284 342 Y C 2.306 178.205 175.900 -0.002 0.000 1.154 342 Y CA 2.302 60.434 58.100 0.054 0.000 1.149 342 Y CB -0.909 37.578 38.460 0.044 0.000 0.976 342 Y HN -0.088 nan 8.280 nan 0.000 0.505 343 A N -0.321 122.481 122.820 -0.031 0.000 1.883 343 A HA -0.185 4.135 4.320 0.001 0.000 0.217 343 A C 2.310 179.755 177.584 -0.231 0.000 1.186 343 A CA 2.417 54.379 52.037 -0.124 0.000 0.624 343 A CB -1.360 17.627 19.000 -0.023 0.000 0.822 343 A HN 0.370 nan 8.150 nan 0.000 0.444 344 V N -0.097 119.640 119.914 -0.295 0.000 2.453 344 V HA -0.177 3.944 4.120 0.001 0.000 0.247 344 V C 2.602 178.651 176.094 -0.076 0.000 1.048 344 V CA 1.881 64.062 62.300 -0.200 0.000 1.049 344 V CB -0.828 30.789 31.823 -0.344 0.000 0.672 344 V HN 0.612 nan 8.190 nan 0.000 0.457 345 R N 0.339 120.795 120.500 -0.074 0.000 2.080 345 R HA -0.197 4.143 4.340 0.001 0.000 0.236 345 R C 2.316 178.545 176.300 -0.117 0.000 1.137 345 R CA 2.368 58.445 56.100 -0.039 0.000 0.943 345 R CB -0.590 29.688 30.300 -0.038 0.000 0.846 345 R HN 0.540 nan 8.270 nan 0.000 0.431 346 T N 0.652 115.041 114.554 -0.275 0.000 2.777 346 T HA -0.075 4.275 4.350 0.001 0.000 0.266 346 T C 1.848 176.464 174.700 -0.140 0.000 1.040 346 T CA 1.307 63.242 62.100 -0.274 0.000 1.141 346 T CB -0.274 68.284 68.868 -0.517 0.000 0.868 346 T HN 0.450 nan 8.240 nan 0.000 0.444 347 A N 1.040 123.789 122.820 -0.118 0.000 1.902 347 A HA -0.032 4.289 4.320 0.001 0.000 0.217 347 A C 2.590 180.158 177.584 -0.027 0.000 1.181 347 A CA 1.300 53.303 52.037 -0.056 0.000 0.623 347 A CB -1.005 17.971 19.000 -0.040 0.000 0.818 347 A HN 0.348 nan 8.150 nan 0.000 0.443 348 V N 0.122 120.030 119.914 -0.010 0.000 2.358 348 V HA -0.244 3.876 4.120 0.001 0.000 0.246 348 V C 2.408 178.500 176.094 -0.004 0.000 1.047 348 V CA 1.926 64.234 62.300 0.013 0.000 1.035 348 V CB -0.636 31.223 31.823 0.060 0.000 0.658 348 V HN 0.559 nan 8.190 nan 0.000 0.452 349 I N 0.441 121.001 120.570 -0.016 0.000 2.226 349 I HA -0.207 3.964 4.170 0.001 0.000 0.245 349 I C 2.322 178.425 176.117 -0.023 0.000 1.100 349 I CA 1.415 62.702 61.300 -0.021 0.000 1.374 349 I CB -0.410 37.574 38.000 -0.027 0.000 1.057 349 I HN 0.356 nan 8.210 nan 0.000 0.413 350 N N 0.972 119.656 118.700 -0.027 0.000 2.216 350 N HA -0.073 4.668 4.740 0.001 0.000 0.183 350 N C 1.829 177.328 175.510 -0.019 0.000 1.017 350 N CA 1.480 54.518 53.050 -0.021 0.000 0.861 350 N CB -0.323 38.153 38.487 -0.019 0.000 0.986 350 N HN 0.325 nan 8.380 nan 0.000 0.428 351 A N 0.745 123.554 122.820 -0.018 0.000 1.897 351 A HA 0.159 4.479 4.320 0.001 0.000 0.215 351 A C 2.283 179.854 177.584 -0.022 0.000 1.181 351 A CA 1.581 53.608 52.037 -0.017 0.000 0.620 351 A CB -0.726 18.265 19.000 -0.014 0.000 0.821 351 A HN 0.275 nan 8.150 nan 0.000 0.443 352 A N 0.387 123.193 122.820 -0.023 0.000 1.972 352 A HA -0.064 4.256 4.320 0.001 0.000 0.219 352 A C 2.405 179.970 177.584 -0.033 0.000 1.169 352 A CA 2.134 54.152 52.037 -0.031 0.000 0.635 352 A CB -0.789 18.192 19.000 -0.032 0.000 0.810 352 A HN 0.965 nan 8.150 nan 0.000 0.446 353 S N -1.939 113.744 115.700 -0.028 0.000 2.489 353 S HA 0.330 4.801 4.470 0.001 0.000 0.228 353 S C 1.522 176.106 174.600 -0.025 0.000 0.995 353 S CA 1.136 59.320 58.200 -0.027 0.000 0.934 353 S CB -0.391 62.795 63.200 -0.023 0.000 0.771 353 S HN 1.915 nan 8.310 nan 0.000 0.522 354 G N 1.602 110.387 108.800 -0.024 0.000 2.148 354 G HA2 -0.341 3.619 3.960 0.001 0.000 0.254 354 G HA3 -0.341 3.619 3.960 0.001 0.000 0.254 354 G C 0.757 175.646 174.900 -0.019 0.000 0.981 354 G CA 0.443 45.530 45.100 -0.022 0.000 0.670 354 G HN 0.563 nan 8.290 nan 0.000 0.528 355 R N -0.611 119.878 120.500 -0.018 0.000 2.148 355 R HA 0.176 4.516 4.340 0.001 0.000 0.223 355 R C 1.132 177.423 176.300 -0.015 0.000 1.088 355 R CA 1.811 57.902 56.100 -0.015 0.000 0.985 355 R CB 0.063 30.356 30.300 -0.012 0.000 0.880 355 R HN 0.471 nan 8.270 nan 0.000 0.451 356 Q N -0.607 119.184 119.800 -0.014 0.000 2.456 356 Q HA 0.193 4.534 4.340 0.001 0.000 0.284 356 Q C -1.186 174.807 176.000 -0.011 0.000 1.061 356 Q CA -0.731 55.065 55.803 -0.013 0.000 0.799 356 Q CB 2.058 30.790 28.738 -0.010 0.000 1.445 356 Q HN 0.134 nan 8.270 nan 0.000 0.411 357 T N -1.503 113.046 114.554 -0.009 0.000 2.828 357 T HA 0.258 4.608 4.350 0.001 0.000 0.290 357 T C 1.040 175.738 174.700 -0.004 0.000 1.019 357 T CA -0.189 61.908 62.100 -0.006 0.000 1.031 357 T CB 0.531 69.397 68.868 -0.003 0.000 1.001 357 T HN 0.362 nan 8.240 nan 0.000 0.531 358 V N 1.325 121.237 119.914 -0.003 0.000 2.343 358 V HA -0.144 3.977 4.120 0.001 0.000 0.247 358 V C 2.582 178.678 176.094 0.003 0.000 1.051 358 V CA 2.067 64.366 62.300 -0.001 0.000 1.036 358 V CB -0.762 31.061 31.823 -0.000 0.000 0.654 358 V HN 0.906 nan 8.190 nan 0.000 0.451 359 D N 0.572 120.976 120.400 0.007 0.000 2.084 359 D HA -0.166 4.475 4.640 0.001 0.000 0.194 359 D C 2.232 178.540 176.300 0.012 0.000 0.990 359 D CA 1.783 55.790 54.000 0.011 0.000 0.826 359 D CB -0.132 40.675 40.800 0.013 0.000 0.971 359 D HN 0.462 nan 8.370 nan 0.000 0.453 360 A N 1.405 124.230 122.820 0.010 0.000 1.933 360 A HA -0.031 4.290 4.320 0.001 0.000 0.218 360 A C 2.355 179.946 177.584 0.012 0.000 1.175 360 A CA 2.062 54.105 52.037 0.011 0.000 0.628 360 A CB -0.593 18.410 19.000 0.005 0.000 0.814 360 A HN 0.252 nan 8.150 nan 0.000 0.444 361 A N -0.230 122.593 122.820 0.005 0.000 1.858 361 A HA -0.044 4.276 4.320 0.001 0.000 0.216 361 A C 2.168 179.754 177.584 0.004 0.000 1.190 361 A CA 1.547 53.585 52.037 0.001 0.000 0.617 361 A CB -0.601 18.395 19.000 -0.006 0.000 0.827 361 A HN 0.461 nan 8.150 nan 0.000 0.443 362 L N -0.994 120.233 121.223 0.007 0.000 2.156 362 L HA -0.104 4.237 4.340 0.001 0.000 0.208 362 L C 3.061 179.941 176.870 0.017 0.000 1.095 362 L CA 0.764 55.610 54.840 0.011 0.000 0.770 362 L CB -0.497 41.568 42.059 0.010 0.000 0.914 362 L HN 0.451 nan 8.230 nan 0.000 0.439 363 A N 0.297 123.130 122.820 0.022 0.000 1.902 363 A HA -0.185 4.136 4.320 0.001 0.000 0.217 363 A C 2.537 180.147 177.584 0.043 0.000 1.181 363 A CA 1.748 53.806 52.037 0.034 0.000 0.623 363 A CB -0.649 18.374 19.000 0.038 0.000 0.818 363 A HN 0.386 nan 8.150 nan 0.000 0.443 364 A N -0.173 122.670 122.820 0.039 0.000 1.933 364 A HA 0.160 4.481 4.320 0.001 0.000 0.218 364 A C 2.491 180.103 177.584 0.047 0.000 1.175 364 A CA 2.052 54.117 52.037 0.048 0.000 0.628 364 A CB -0.983 18.043 19.000 0.043 0.000 0.814 364 A HN 1.072 nan 8.150 nan 0.000 0.444 365 A N -0.421 122.415 122.820 0.026 0.000 1.902 365 A HA -0.207 4.114 4.320 0.001 0.000 0.217 365 A C 2.148 179.751 177.584 0.031 0.000 1.181 365 A CA 2.195 54.239 52.037 0.012 0.000 0.623 365 A CB -0.564 18.425 19.000 -0.019 0.000 0.818 365 A HN 0.631 nan 8.150 nan 0.000 0.443 366 Q N -0.013 119.807 119.800 0.033 0.000 2.030 366 Q HA -0.163 4.178 4.340 0.001 0.000 0.204 366 Q C 1.882 177.923 176.000 0.068 0.000 0.986 366 Q CA 3.016 58.844 55.803 0.042 0.000 0.843 366 Q CB -1.166 27.596 28.738 0.040 0.000 0.904 366 Q HN 0.505 nan 8.270 nan 0.000 0.420 367 T N 0.997 115.591 114.554 0.066 0.000 2.777 367 T HA -0.084 4.266 4.350 0.001 0.000 0.266 367 T C 1.588 176.330 174.700 0.071 0.000 1.040 367 T CA 1.156 63.292 62.100 0.060 0.000 1.141 367 T CB -0.396 68.503 68.868 0.051 0.000 0.868 367 T HN 0.330 nan 8.240 nan 0.000 0.444 368 N N 1.477 120.232 118.700 0.093 0.000 2.043 368 N HA -0.044 4.696 4.740 0.001 0.000 0.193 368 N C 2.142 177.740 175.510 0.148 0.000 1.037 368 N CA 1.577 54.708 53.050 0.134 0.000 0.851 368 N CB -0.669 37.940 38.487 0.204 0.000 1.027 368 N HN 0.427 nan 8.380 nan 0.000 0.422 369 A N 0.476 123.385 122.820 0.149 0.000 1.933 369 A HA 0.026 4.347 4.320 0.001 0.000 0.218 369 A C 2.287 180.027 177.584 0.260 0.000 1.175 369 A CA 2.040 54.203 52.037 0.211 0.000 0.628 369 A CB -0.711 18.386 19.000 0.161 0.000 0.814 369 A HN 0.358 nan 8.150 nan 0.000 0.444 370 A N -1.213 121.723 122.820 0.193 0.000 1.930 370 A HA 0.427 4.748 4.320 0.001 0.000 0.215 370 A C 2.124 179.768 177.584 0.101 0.000 1.176 370 A CA 1.765 53.910 52.037 0.181 0.000 0.632 370 A CB -0.397 18.687 19.000 0.140 0.000 0.819 370 A HN 1.139 nan 8.150 nan 0.000 0.445 371 A N -1.640 121.217 122.820 0.063 0.000 2.456 371 A HA 0.555 4.876 4.320 0.001 0.000 0.237 371 A C 0.144 177.737 177.584 0.014 0.000 1.217 371 A CA 0.232 52.276 52.037 0.011 0.000 0.962 371 A CB 0.564 19.535 19.000 -0.049 0.000 1.079 371 A HN 0.289 nan 8.150 nan 0.000 0.536 372 V N 0.335 120.271 119.914 0.037 0.000 2.680 372 V HA 0.474 4.595 4.120 0.001 0.000 0.309 372 V C -0.455 175.634 176.094 -0.008 0.000 1.052 372 V CA -0.738 61.571 62.300 0.016 0.000 0.908 372 V CB 1.893 33.730 31.823 0.024 0.000 1.001 372 V HN 0.306 nan 8.190 nan 0.000 0.431 373 K N 2.573 122.945 120.400 -0.046 0.000 2.463 373 K HA 0.711 5.031 4.320 0.001 0.000 0.255 373 K C -1.655 174.851 176.600 -0.156 0.000 0.942 373 K CA -0.449 55.785 56.287 -0.089 0.000 0.814 373 K CB 2.072 34.545 32.500 -0.045 0.000 1.122 373 K HN 0.518 nan 8.250 nan 0.000 0.425 374 V N 3.495 123.226 119.914 -0.304 0.000 2.398 374 V HA 0.320 4.440 4.120 0.001 0.000 0.286 374 V C -0.399 175.561 176.094 -0.222 0.000 1.026 374 V CA -0.668 61.431 62.300 -0.335 0.000 0.868 374 V CB 1.400 32.819 31.823 -0.673 0.000 0.982 374 V HN 0.767 nan 8.190 nan 0.000 0.443 375 E N 3.411 123.535 120.200 -0.127 0.000 2.191 375 E HA 0.440 4.791 4.350 0.001 0.000 0.263 375 E C -1.429 175.140 176.600 -0.051 0.000 0.881 375 E CA -0.519 55.832 56.400 -0.081 0.000 0.757 375 E CB 1.361 31.030 29.700 -0.053 0.000 1.147 375 E HN 0.763 nan 8.360 nan 0.000 0.414 376 c N 6.170 124.740 118.600 -0.049 0.000 2.265 376 c HA 0.500 5.071 4.570 0.001 0.000 0.332 376 c C 0.244 174.377 174.090 0.071 0.000 1.248 376 c CA -0.674 55.656 56.329 0.001 0.000 1.727 376 c CB -1.096 41.334 42.510 -0.133 0.000 2.348 376 c HN 0.651 nan 8.230 nan 0.000 0.519 377 L N 1.723 123.012 121.223 0.110 0.000 2.341 377 L HA 0.450 4.790 4.340 0.001 0.000 0.267 377 L C 1.599 178.529 176.870 0.099 0.000 1.022 377 L CA -0.701 54.192 54.840 0.089 0.000 0.844 377 L CB 0.316 42.389 42.059 0.022 0.000 1.436 377 L HN 0.602 nan 8.230 nan 0.000 0.483 378 E N 0.580 120.787 120.200 0.012 0.000 2.012 378 E HA -0.265 4.086 4.350 0.001 0.000 0.211 378 E C 1.190 177.664 176.600 -0.211 0.000 1.029 378 E CA 2.066 58.418 56.400 -0.081 0.000 0.867 378 E CB -0.124 29.532 29.700 -0.073 0.000 0.790 378 E HN 0.679 nan 8.360 nan 0.000 0.482 379 A N 0.175 122.898 122.820 -0.161 0.000 2.465 379 A HA 0.149 4.470 4.320 0.001 0.000 0.255 379 A C 0.236 177.742 177.584 -0.131 0.000 1.274 379 A CA -0.152 51.766 52.037 -0.197 0.000 0.920 379 A CB 0.380 19.292 19.000 -0.147 0.000 1.033 379 A HN 0.162 nan 8.150 nan 0.000 0.516 380 E N -0.562 119.593 120.200 -0.076 0.000 2.336 380 E HA 0.610 4.960 4.350 0.001 0.000 0.267 380 E C -2.031 174.569 176.600 0.001 0.000 0.906 380 E CA -0.755 55.625 56.400 -0.034 0.000 0.781 380 E CB 1.957 31.642 29.700 -0.024 0.000 1.261 380 E HN 0.210 nan 8.360 nan 0.000 0.436 381 L N 2.431 123.656 121.223 0.002 0.000 2.408 381 L HA 0.523 4.864 4.340 0.001 0.000 0.268 381 L C -1.899 174.978 176.870 0.011 0.000 0.986 381 L CA -0.656 54.190 54.840 0.009 0.000 0.820 381 L CB 1.977 44.039 42.059 0.005 0.000 1.303 381 L HN 0.288 nan 8.230 nan 0.000 0.411 382 V N 5.124 125.040 119.914 0.002 0.000 2.444 382 V HA 0.618 4.739 4.120 0.001 0.000 0.294 382 V C -0.709 175.390 176.094 0.008 0.000 1.022 382 V CA -0.658 61.652 62.300 0.016 0.000 0.850 382 V CB 1.784 33.608 31.823 0.001 0.000 0.992 382 V HN 0.537 nan 8.190 nan 0.000 0.426 383 V N 3.582 123.537 119.914 0.068 0.000 2.378 383 V HA 0.487 4.608 4.120 0.001 0.000 0.288 383 V C 0.125 176.307 176.094 0.147 0.000 1.016 383 V CA -0.293 62.045 62.300 0.063 0.000 0.840 383 V CB 1.933 33.772 31.823 0.027 0.000 0.994 383 V HN 0.916 nan 8.190 nan 0.000 0.431 384 T N 4.642 119.235 114.554 0.064 0.000 2.758 384 T HA 0.586 4.937 4.350 0.001 0.000 0.285 384 T C -0.288 174.445 174.700 0.056 0.000 0.981 384 T CA -0.382 61.753 62.100 0.058 0.000 0.965 384 T CB 1.478 70.352 68.868 0.010 0.000 0.927 384 T HN 0.359 nan 8.240 nan 0.000 0.448 385 V N 2.839 122.802 119.914 0.083 0.000 2.409 385 V HA 0.421 4.542 4.120 0.001 0.000 0.291 385 V C 0.580 176.680 176.094 0.009 0.000 1.020 385 V CA -0.960 61.374 62.300 0.057 0.000 0.848 385 V CB 1.745 33.639 31.823 0.119 0.000 0.990 385 V HN 0.940 nan 8.190 nan 0.000 0.430 386 S N 4.075 119.764 115.700 -0.019 0.000 2.525 386 S HA 0.121 4.592 4.470 0.001 0.000 0.285 386 S C 1.394 175.951 174.600 -0.073 0.000 1.283 386 S CA -0.104 58.073 58.200 -0.038 0.000 1.072 386 S CB 0.193 63.371 63.200 -0.037 0.000 0.867 386 S HN 0.712 nan 8.310 nan 0.000 0.492 387 R N 2.764 123.230 120.500 -0.056 0.000 2.115 387 R HA -0.032 4.309 4.340 0.001 0.000 0.226 387 R C 0.370 176.616 176.300 -0.090 0.000 1.100 387 R CA 0.990 57.050 56.100 -0.067 0.000 0.980 387 R CB -0.147 30.136 30.300 -0.029 0.000 0.875 387 R HN 0.597 nan 8.270 nan 0.000 0.445 388 D N 1.091 121.452 120.400 -0.064 0.000 2.671 388 D HA -0.019 4.621 4.640 0.001 0.000 0.228 388 D C 0.838 177.062 176.300 -0.126 0.000 1.102 388 D CA -0.087 53.884 54.000 -0.050 0.000 1.044 388 D CB 0.312 41.108 40.800 -0.005 0.000 1.113 388 D HN -0.059 nan 8.370 nan 0.000 0.480 389 L N 1.705 122.736 121.223 -0.319 0.000 2.093 389 L HA 0.007 4.348 4.340 0.001 0.000 0.208 389 L C 1.080 177.616 176.870 -0.558 0.000 1.085 389 L CA 1.730 56.227 54.840 -0.570 0.000 0.755 389 L CB -0.298 41.142 42.059 -1.032 0.000 0.904 389 L HN 0.298 nan 8.230 nan 0.000 0.435 390 F N -1.167 118.777 119.950 -0.009 0.000 2.678 390 F HA 0.430 4.958 4.527 0.001 0.000 0.291 390 F C 1.956 177.774 175.800 0.030 0.000 1.123 390 F CA 0.444 58.453 58.000 0.016 0.000 1.395 390 F CB -0.351 38.659 39.000 0.016 0.000 1.121 390 F HN 0.077 nan 8.300 nan 0.000 0.592 391 G N -0.284 108.612 108.800 0.160 0.000 2.179 391 G HA2 -0.287 3.673 3.960 0.001 0.000 0.220 391 G HA3 -0.287 3.673 3.960 0.001 0.000 0.220 391 G C 1.086 176.056 174.900 0.118 0.000 0.990 391 G CA 0.522 45.693 45.100 0.118 0.000 0.646 391 G HN 0.239 nan 8.290 nan 0.000 0.517 392 T N 0.130 114.779 114.554 0.157 0.000 2.915 392 T HA 0.307 4.657 4.350 0.001 0.000 0.269 392 T C 2.464 177.215 174.700 0.085 0.000 1.071 392 T CA 2.354 64.524 62.100 0.117 0.000 1.132 392 T CB -0.267 68.678 68.868 0.129 0.000 0.878 392 T HN 2.069 nan 8.240 nan 0.000 0.479 393 G N 1.244 110.095 108.800 0.085 0.000 2.194 393 G HA2 -0.244 3.717 3.960 0.001 0.000 0.236 393 G HA3 -0.244 3.717 3.960 0.001 0.000 0.236 393 G C 0.160 175.099 174.900 0.064 0.000 0.987 393 G CA 0.087 45.223 45.100 0.060 0.000 0.635 393 G HN 0.584 nan 8.290 nan 0.000 0.520 394 K N 1.457 121.912 120.400 0.093 0.000 2.284 394 K HA 0.565 4.886 4.320 0.001 0.000 0.287 394 K C 0.589 177.253 176.600 0.106 0.000 1.081 394 K CA -0.635 55.711 56.287 0.099 0.000 0.910 394 K CB 0.020 32.590 32.500 0.117 0.000 1.088 394 K HN 0.259 nan 8.250 nan 0.000 0.478 395 L N 5.648 126.912 121.223 0.070 0.000 2.331 395 L HA 0.163 4.503 4.340 0.001 0.000 0.278 395 L C 0.558 177.465 176.870 0.061 0.000 1.106 395 L CA -0.908 53.959 54.840 0.044 0.000 0.824 395 L CB 0.913 42.989 42.059 0.028 0.000 1.142 395 L HN 0.438 nan 8.230 nan 0.000 0.443 396 V N 1.333 121.261 119.914 0.024 0.000 2.924 396 V HA 0.190 4.311 4.120 0.001 0.000 0.305 396 V C 0.067 176.218 176.094 0.095 0.000 1.073 396 V CA -0.674 61.666 62.300 0.067 0.000 1.098 396 V CB 0.720 32.476 31.823 -0.111 0.000 1.000 396 V HN 0.817 nan 8.190 nan 0.000 0.484 397 Q N 4.063 123.957 119.800 0.157 0.000 2.230 397 Q HA 0.376 4.717 4.340 0.001 0.000 0.253 397 Q C -1.647 174.426 176.000 0.123 0.000 0.919 397 Q CA -1.858 54.012 55.803 0.111 0.000 0.908 397 Q CB 1.897 30.697 28.738 0.102 0.000 1.245 397 Q HN 0.628 nan 8.270 nan 0.000 0.437 398 P HA -0.172 nan 4.420 nan 0.000 0.218 398 P C 0.999 178.359 177.300 0.099 0.000 1.149 398 P CA 1.320 64.455 63.100 0.060 0.000 0.817 398 P CB 0.133 31.819 31.700 -0.025 0.000 0.785 399 G N 0.248 109.095 108.800 0.079 0.000 2.470 399 G HA2 -0.190 3.770 3.960 0.001 0.000 0.220 399 G HA3 -0.190 3.770 3.960 0.001 0.000 0.220 399 G C 1.051 176.005 174.900 0.090 0.000 1.121 399 G CA 0.551 45.697 45.100 0.077 0.000 0.766 399 G HN 0.205 nan 8.290 nan 0.000 0.553 400 D N -0.182 120.285 120.400 0.112 0.000 2.349 400 D HA 0.122 4.763 4.640 0.001 0.000 0.215 400 D C 0.859 177.236 176.300 0.127 0.000 1.016 400 D CA 0.093 54.132 54.000 0.065 0.000 0.870 400 D CB 0.518 41.333 40.800 0.025 0.000 0.917 400 D HN 0.239 nan 8.370 nan 0.000 0.524 401 L N 0.451 121.818 121.223 0.240 0.000 2.309 401 L HA 0.371 4.711 4.340 0.001 0.000 0.282 401 L C -0.018 177.000 176.870 0.248 0.000 1.036 401 L CA -0.032 54.985 54.840 0.294 0.000 0.806 401 L CB 1.887 44.211 42.059 0.442 0.000 1.220 401 L HN -0.298 nan 8.230 nan 0.000 0.429 402 T N 3.592 118.204 114.554 0.097 0.000 2.971 402 T HA 0.418 4.769 4.350 0.001 0.000 0.304 402 T C -1.023 173.550 174.700 -0.212 0.000 1.038 402 T CA -0.430 61.675 62.100 0.008 0.000 1.007 402 T CB 1.963 70.863 68.868 0.055 0.000 1.055 402 T HN 0.201 nan 8.240 nan 0.000 0.451 403 L N 3.691 124.696 121.223 -0.363 0.000 2.282 403 L HA 0.719 5.060 4.340 0.001 0.000 0.288 403 L C 0.837 177.424 176.870 -0.470 0.000 1.033 403 L CA 1.095 55.630 54.840 -0.509 0.000 0.807 403 L CB 0.125 41.808 42.059 -0.628 0.000 1.209 403 L HN 1.003 nan 8.230 nan 0.000 0.423 404 G N 3.410 111.702 108.800 -0.847 0.000 2.601 404 G HA2 -0.262 3.699 3.960 0.001 0.000 0.261 404 G HA3 -0.262 3.699 3.960 0.001 0.000 0.261 404 G C -0.067 174.472 174.900 -0.603 0.000 1.289 404 G CA 0.043 44.513 45.100 -1.050 0.000 0.920 404 G HN 1.238 nan 8.290 nan 0.000 0.571 405 S N -1.137 114.418 115.700 -0.242 0.000 2.666 405 S HA 0.588 5.059 4.470 0.001 0.000 0.279 405 S C 1.200 175.795 174.600 -0.007 0.000 1.149 405 S CA 0.801 59.010 58.200 0.015 0.000 1.020 405 S CB 1.446 64.699 63.200 0.087 0.000 1.127 405 S HN 0.775 nan 8.310 nan 0.000 0.537 406 E N 0.650 120.867 120.200 0.029 0.000 2.153 406 E HA 0.073 4.424 4.350 0.001 0.000 0.194 406 E C 2.019 178.625 176.600 0.010 0.000 0.988 406 E CA 1.399 57.812 56.400 0.023 0.000 0.811 406 E CB -0.961 28.758 29.700 0.031 0.000 0.746 406 E HN 0.801 nan 8.360 nan 0.000 0.466 407 G N -0.070 108.732 108.800 0.003 0.000 2.443 407 G HA2 -0.216 3.744 3.960 0.001 0.000 0.219 407 G HA3 -0.216 3.744 3.960 0.001 0.000 0.219 407 G C 0.525 175.419 174.900 -0.009 0.000 1.131 407 G CA 0.394 45.493 45.100 -0.000 0.000 0.775 407 G HN 0.398 nan 8.290 nan 0.000 0.547 408 c N 1.660 120.242 118.600 -0.031 0.000 2.619 408 c HA 0.510 5.080 4.570 0.001 0.000 0.389 408 c C 0.348 174.432 174.090 -0.010 0.000 1.314 408 c CA -0.545 55.760 56.329 -0.041 0.000 1.678 408 c CB -1.067 41.381 42.510 -0.104 0.000 2.398 408 c HN 0.493 nan 8.230 nan 0.000 0.582 409 Q N 6.856 126.663 119.800 0.011 0.000 2.965 409 Q HA 0.306 4.647 4.340 0.001 0.000 0.288 409 Q C -2.105 173.922 176.000 0.044 0.000 0.974 409 Q CA -1.124 54.697 55.803 0.030 0.000 0.849 409 Q CB 1.168 29.921 28.738 0.024 0.000 1.280 409 Q HN 0.694 nan 8.270 nan 0.000 0.441 410 P HA 0.099 nan 4.420 nan 0.000 0.274 410 P C -0.535 176.808 177.300 0.072 0.000 1.237 410 P CA -0.537 62.622 63.100 0.098 0.000 0.793 410 P CB 1.009 32.834 31.700 0.208 0.000 0.977 411 R N 0.819 121.341 120.500 0.037 0.000 2.389 411 R HA 0.318 4.658 4.340 0.001 0.000 0.295 411 R C -0.955 175.304 176.300 -0.068 0.000 1.075 411 R CA -0.277 55.816 56.100 -0.011 0.000 1.005 411 R CB 0.223 30.512 30.300 -0.019 0.000 0.987 411 R HN 0.275 nan 8.270 nan 0.000 0.452 412 V N 3.524 123.358 119.914 -0.133 0.000 2.409 412 V HA 0.283 4.404 4.120 0.001 0.000 0.291 412 V C -0.460 175.496 176.094 -0.229 0.000 1.020 412 V CA -0.590 61.525 62.300 -0.308 0.000 0.848 412 V CB 1.830 33.436 31.823 -0.363 0.000 0.990 412 V HN 0.780 nan 8.190 nan 0.000 0.430 413 S N 3.553 119.105 115.700 -0.247 0.000 2.503 413 S HA 0.804 5.275 4.470 0.001 0.000 0.301 413 S C -0.507 173.994 174.600 -0.165 0.000 1.087 413 S CA -0.692 57.412 58.200 -0.159 0.000 1.042 413 S CB 2.104 65.235 63.200 -0.115 0.000 1.043 413 S HN 0.465 nan 8.310 nan 0.000 0.489 414 V N 2.673 122.520 119.914 -0.113 0.000 2.540 414 V HA 0.525 4.646 4.120 0.001 0.000 0.302 414 V C -0.798 175.260 176.094 -0.060 0.000 1.035 414 V CA -0.857 61.388 62.300 -0.090 0.000 0.873 414 V CB 1.903 33.681 31.823 -0.075 0.000 0.992 414 V HN 0.771 nan 8.190 nan 0.000 0.428 415 D N 1.285 121.655 120.400 -0.051 0.000 2.506 415 D HA 0.361 5.002 4.640 0.001 0.000 0.254 415 D C 1.411 177.695 176.300 -0.026 0.000 1.089 415 D CA 0.073 54.052 54.000 -0.035 0.000 1.050 415 D CB 1.573 42.353 40.800 -0.032 0.000 1.221 415 D HN 0.653 nan 8.370 nan 0.000 0.589 416 T N -2.211 112.332 114.554 -0.019 0.000 2.759 416 T HA -0.200 4.151 4.350 0.001 0.000 0.269 416 T C 0.880 175.573 174.700 -0.011 0.000 1.042 416 T CA 1.665 63.758 62.100 -0.012 0.000 1.140 416 T CB -0.129 68.734 68.868 -0.009 0.000 0.864 416 T HN 0.457 nan 8.240 nan 0.000 0.455 417 D N 1.062 121.453 120.400 -0.015 0.000 2.454 417 D HA 0.154 4.795 4.640 0.001 0.000 0.219 417 D C 0.758 177.047 176.300 -0.019 0.000 1.081 417 D CA 0.159 54.151 54.000 -0.014 0.000 0.867 417 D CB -0.112 40.682 40.800 -0.011 0.000 1.054 417 D HN 0.591 nan 8.370 nan 0.000 0.500 418 V N -1.882 118.018 119.914 -0.024 0.000 2.962 418 V HA 0.738 4.859 4.120 0.001 0.000 0.313 418 V C -0.604 175.465 176.094 -0.042 0.000 1.099 418 V CA -1.113 61.172 62.300 -0.026 0.000 0.971 418 V CB 2.366 34.176 31.823 -0.021 0.000 1.028 418 V HN -0.150 nan 8.190 nan 0.000 0.430 419 V N 3.359 123.249 119.914 -0.040 0.000 2.435 419 V HA 0.621 4.742 4.120 0.001 0.000 0.290 419 V C 0.091 176.112 176.094 -0.122 0.000 1.030 419 V CA -0.515 61.718 62.300 -0.112 0.000 0.881 419 V CB 1.516 33.277 31.823 -0.104 0.000 0.983 419 V HN 1.030 nan 8.190 nan 0.000 0.445 420 R N 3.792 124.156 120.500 -0.226 0.000 2.393 420 R HA 0.560 4.900 4.340 0.001 0.000 0.315 420 R C -1.753 174.374 176.300 -0.288 0.000 0.952 420 R CA -0.495 55.520 56.100 -0.142 0.000 0.842 420 R CB 1.022 31.270 30.300 -0.087 0.000 1.163 420 R HN 0.538 nan 8.270 nan 0.000 0.450 421 F N 2.943 122.875 119.950 -0.030 0.000 2.411 421 F HA 0.356 4.884 4.527 0.001 0.000 0.352 421 F C -0.089 175.691 175.800 -0.034 0.000 1.123 421 F CA -0.719 57.262 58.000 -0.030 0.000 1.044 421 F CB 1.675 40.655 39.000 -0.034 0.000 1.135 421 F HN 0.467 nan 8.300 nan 0.000 0.461 422 N N 2.703 121.462 118.700 0.099 0.000 2.546 422 N HA 0.622 5.362 4.740 0.001 0.000 0.238 422 N C -1.005 174.541 175.510 0.059 0.000 0.984 422 N CA -0.316 52.767 53.050 0.054 0.000 0.935 422 N CB 1.332 39.825 38.487 0.010 0.000 1.122 422 N HN 0.634 nan 8.380 nan 0.000 0.510 423 A N 1.753 124.604 122.820 0.051 0.000 2.355 423 A HA 0.493 4.814 4.320 0.001 0.000 0.317 423 A C -0.689 176.899 177.584 0.007 0.000 1.094 423 A CA -0.833 51.224 52.037 0.034 0.000 0.764 423 A CB 0.948 19.963 19.000 0.024 0.000 1.230 423 A HN 0.370 nan 8.150 nan 0.000 0.448 424 Q N 1.832 121.635 119.800 0.005 0.000 2.295 424 Q HA 0.153 4.494 4.340 0.001 0.000 0.259 424 Q C 0.707 176.704 176.000 -0.006 0.000 0.976 424 Q CA -0.434 55.369 55.803 -0.001 0.000 0.923 424 Q CB 1.296 30.044 28.738 0.016 0.000 1.185 424 Q HN 0.734 nan 8.270 nan 0.000 0.410 425 L N 3.004 124.203 121.223 -0.039 0.000 2.079 425 L HA -0.214 4.127 4.340 0.001 0.000 0.210 425 L C 2.087 178.948 176.870 -0.015 0.000 1.081 425 L CA 2.043 56.838 54.840 -0.075 0.000 0.752 425 L CB -0.685 41.230 42.059 -0.240 0.000 0.896 425 L HN 0.810 nan 8.230 nan 0.000 0.433 426 H N -0.323 118.707 119.070 -0.068 0.000 2.357 426 H HA -0.165 4.392 4.556 0.001 0.000 0.301 426 H C 2.093 177.427 175.328 0.011 0.000 1.082 426 H CA 1.971 58.013 56.048 -0.010 0.000 1.342 426 H CB 0.157 29.906 29.762 -0.021 0.000 1.389 426 H HN 0.629 nan 8.280 nan 0.000 0.511 427 E N -1.405 118.798 120.200 0.005 0.000 2.318 427 E HA -0.012 4.338 4.350 0.001 0.000 0.193 427 E C 1.249 177.810 176.600 -0.066 0.000 0.998 427 E CA 0.875 57.249 56.400 -0.043 0.000 0.859 427 E CB -0.193 29.533 29.700 0.042 0.000 0.812 427 E HN 0.386 nan 8.360 nan 0.000 0.492 428 c N 0.984 119.552 118.600 -0.054 0.000 2.906 428 c HA 0.294 4.865 4.570 0.001 0.000 0.274 428 c C 0.693 174.742 174.090 -0.068 0.000 1.257 428 c CA -0.444 55.839 56.329 -0.078 0.000 1.695 428 c CB -0.580 41.885 42.510 -0.076 0.000 1.958 428 c HN 0.221 nan 8.230 nan 0.000 0.619 429 S N 1.779 117.467 115.700 -0.021 0.000 2.414 429 S HA 0.079 4.550 4.470 0.001 0.000 0.290 429 S C 1.163 175.773 174.600 0.016 0.000 1.160 429 S CA -0.040 58.188 58.200 0.047 0.000 1.069 429 S CB 0.789 64.088 63.200 0.165 0.000 1.012 429 S HN 0.573 nan 8.310 nan 0.000 0.510 430 S N 2.980 118.699 115.700 0.031 0.000 2.428 430 S HA 0.019 4.490 4.470 0.001 0.000 0.230 430 S C 0.922 175.564 174.600 0.070 0.000 1.014 430 S CA 0.663 58.907 58.200 0.073 0.000 0.957 430 S CB 0.071 63.385 63.200 0.190 0.000 0.784 430 S HN 0.734 nan 8.310 nan 0.000 0.499 431 R N 0.672 121.211 120.500 0.065 0.000 2.584 431 R HA 0.500 4.841 4.340 0.001 0.000 0.276 431 R C -1.711 174.593 176.300 0.007 0.000 1.046 431 R CA -0.564 55.559 56.100 0.037 0.000 0.906 431 R CB 1.622 31.951 30.300 0.049 0.000 1.215 431 R HN 0.074 nan 8.270 nan 0.000 0.449 432 V N 1.436 121.322 119.914 -0.047 0.000 2.735 432 V HA 0.719 4.840 4.120 0.001 0.000 0.310 432 V C -1.130 174.884 176.094 -0.133 0.000 1.061 432 V CA -0.516 61.691 62.300 -0.156 0.000 0.913 432 V CB 1.652 33.341 31.823 -0.224 0.000 1.005 432 V HN 0.999 nan 8.190 nan 0.000 0.428 433 Q N 4.151 123.853 119.800 -0.164 0.000 2.575 433 Q HA 0.659 5.000 4.340 0.001 0.000 0.290 433 Q C -1.934 174.004 176.000 -0.105 0.000 0.963 433 Q CA -1.128 54.614 55.803 -0.103 0.000 0.783 433 Q CB 2.700 31.402 28.738 -0.059 0.000 1.467 433 Q HN 0.754 nan 8.270 nan 0.000 0.402 434 M N 2.154 121.716 119.600 -0.064 0.000 2.311 434 M HA 0.395 4.875 4.480 0.001 0.000 0.325 434 M C -0.277 176.009 176.300 -0.025 0.000 1.061 434 M CA -0.711 54.563 55.300 -0.043 0.000 0.957 434 M CB 2.202 34.782 32.600 -0.033 0.000 1.646 434 M HN 0.948 nan 8.290 nan 0.000 0.434 435 T N -1.550 112.996 114.554 -0.013 0.000 2.884 435 T HA 0.349 4.700 4.350 0.001 0.000 0.277 435 T C 0.968 175.669 174.700 0.001 0.000 0.976 435 T CA -0.780 61.316 62.100 -0.006 0.000 0.956 435 T CB 1.639 70.506 68.868 -0.002 0.000 1.113 435 T HN 0.806 nan 8.240 nan 0.000 0.554 436 K N -0.100 120.302 120.400 0.003 0.000 2.063 436 K HA -0.180 4.141 4.320 0.001 0.000 0.208 436 K C 0.930 177.540 176.600 0.016 0.000 1.048 436 K CA 2.087 58.379 56.287 0.009 0.000 0.928 436 K CB -0.249 32.256 32.500 0.009 0.000 0.713 436 K HN 0.584 nan 8.250 nan 0.000 0.442 437 D N -0.920 119.492 120.400 0.020 0.000 2.392 437 D HA 0.190 4.830 4.640 0.001 0.000 0.206 437 D C -0.460 175.861 176.300 0.035 0.000 1.046 437 D CA 0.425 54.441 54.000 0.028 0.000 0.865 437 D CB 1.049 41.866 40.800 0.029 0.000 0.969 437 D HN 0.294 nan 8.370 nan 0.000 0.509 438 A N 0.044 122.885 122.820 0.034 0.000 2.498 438 A HA 0.692 5.013 4.320 0.001 0.000 0.298 438 A C -1.346 176.267 177.584 0.050 0.000 1.075 438 A CA -0.635 51.435 52.037 0.055 0.000 0.714 438 A CB 1.148 20.176 19.000 0.046 0.000 1.299 438 A HN 0.042 nan 8.150 nan 0.000 0.407 439 L N 1.602 122.885 121.223 0.099 0.000 2.272 439 L HA 0.549 4.890 4.340 0.001 0.000 0.289 439 L C -0.866 176.045 176.870 0.068 0.000 1.032 439 L CA -0.865 53.999 54.840 0.039 0.000 0.810 439 L CB 1.445 43.555 42.059 0.085 0.000 1.205 439 L HN 0.415 nan 8.230 nan 0.000 0.422 440 V N 3.284 123.142 119.914 -0.093 0.000 2.417 440 V HA 0.376 4.497 4.120 0.001 0.000 0.291 440 V C -0.813 175.188 176.094 -0.156 0.000 1.024 440 V CA -0.651 61.642 62.300 -0.011 0.000 0.861 440 V CB 1.235 33.056 31.823 -0.003 0.000 0.985 440 V HN 0.386 nan 8.190 nan 0.000 0.436 441 Y N 1.874 122.251 120.300 0.129 0.000 2.335 441 Y HA 0.677 5.227 4.550 0.001 0.000 0.338 441 Y C 0.589 176.540 175.900 0.085 0.000 0.977 441 Y CA -0.462 57.702 58.100 0.107 0.000 1.114 441 Y CB 2.101 40.648 38.460 0.145 0.000 1.182 441 Y HN 0.586 nan 8.280 nan 0.000 0.463 442 S N 1.405 117.213 115.700 0.180 0.000 2.542 442 S HA 0.794 5.265 4.470 0.001 0.000 0.293 442 S C -0.445 174.223 174.600 0.115 0.000 1.089 442 S CA -0.709 57.572 58.200 0.136 0.000 0.961 442 S CB 2.420 65.681 63.200 0.102 0.000 1.062 442 S HN 0.695 nan 8.310 nan 0.000 0.483 443 T N 1.039 115.651 114.554 0.098 0.000 2.637 443 T HA 0.767 5.118 4.350 0.001 0.000 0.303 443 T C -2.086 172.682 174.700 0.114 0.000 1.288 443 T CA -0.677 61.448 62.100 0.042 0.000 1.040 443 T CB 0.507 69.280 68.868 -0.157 0.000 1.644 443 T HN 0.525 nan 8.240 nan 0.000 0.480 444 F N 0.867 120.811 119.950 -0.010 0.000 2.576 444 F HA 0.879 5.406 4.527 0.001 0.000 0.313 444 F C -1.454 174.307 175.800 -0.063 0.000 1.078 444 F CA -1.434 56.556 58.000 -0.017 0.000 0.921 444 F CB 1.012 40.008 39.000 -0.007 0.000 1.232 444 F HN 0.449 nan 8.300 nan 0.000 0.459 445 L N 3.905 125.176 121.223 0.080 0.000 2.307 445 L HA 0.751 5.092 4.340 0.001 0.000 0.284 445 L C -1.578 175.365 176.870 0.121 0.000 1.023 445 L CA -0.773 54.047 54.840 -0.034 0.000 0.810 445 L CB 1.457 43.455 42.059 -0.103 0.000 1.231 445 L HN 0.819 nan 8.230 nan 0.000 0.423 446 L N 5.149 126.445 121.223 0.122 0.000 2.362 446 L HA 0.471 4.812 4.340 0.001 0.000 0.275 446 L C -1.137 175.835 176.870 0.170 0.000 0.998 446 L CA -0.189 54.753 54.840 0.171 0.000 0.820 446 L CB 1.272 43.458 42.059 0.211 0.000 1.270 446 L HN 0.707 nan 8.230 nan 0.000 0.415 447 H N 4.108 123.233 119.070 0.093 0.000 2.541 447 H HA 0.391 4.947 4.556 0.001 0.000 0.316 447 H C -1.520 173.883 175.328 0.125 0.000 1.043 447 H CA -0.387 55.726 56.048 0.110 0.000 1.232 447 H CB 1.301 31.130 29.762 0.111 0.000 1.406 447 H HN 0.641 nan 8.280 nan 0.000 0.469 448 D N 7.686 127.895 120.400 -0.317 0.000 2.336 448 D HA 0.147 4.788 4.640 0.001 0.000 0.248 448 D C -2.480 173.664 176.300 -0.260 0.000 1.326 448 D CA -1.765 52.099 54.000 -0.226 0.000 0.973 448 D CB 1.765 42.531 40.800 -0.057 0.000 1.255 448 D HN 0.358 nan 8.370 nan 0.000 0.558 449 P HA 0.099 nan 4.420 nan 0.000 0.238 449 P C -0.150 177.118 177.300 -0.053 0.000 1.714 449 P CA -0.376 62.635 63.100 -0.148 0.000 0.908 449 P CB -0.197 31.466 31.700 -0.062 0.000 1.893 450 R N 2.117 122.589 120.500 -0.046 0.000 2.543 450 R HA 0.292 4.633 4.340 0.001 0.000 0.277 450 R C -1.596 174.702 176.300 -0.004 0.000 1.074 450 R CA -1.687 54.402 56.100 -0.018 0.000 1.076 450 R CB -0.698 29.596 30.300 -0.011 0.000 0.993 450 R HN 0.297 nan 8.270 nan 0.000 0.459 451 P HA 0.052 nan 4.420 nan 0.000 0.276 451 P C 0.045 177.346 177.300 0.002 0.000 1.230 451 P CA -0.368 62.732 63.100 0.001 0.000 0.776 451 P CB 0.932 32.635 31.700 0.004 0.000 0.888 452 V N 2.901 122.815 119.914 -0.001 0.000 2.159 452 V HA 0.016 4.137 4.120 0.001 0.000 0.296 452 V C 1.283 177.380 176.094 0.005 0.000 1.762 452 V CA 1.280 63.581 62.300 0.002 0.000 1.708 452 V CB -1.679 30.142 31.823 -0.002 0.000 1.484 452 V HN 1.020 nan 8.190 nan 0.000 0.512 453 S N 3.434 119.139 115.700 0.008 0.000 4.046 453 S HA -0.280 4.191 4.470 0.001 0.000 0.572 453 S C 1.456 176.059 174.600 0.005 0.000 2.022 453 S CA 2.166 60.371 58.200 0.008 0.000 4.201 453 S CB -1.502 61.705 63.200 0.011 0.000 0.438 453 S HN 1.157 nan 8.310 nan 0.000 0.618 454 G N 0.512 109.315 108.800 0.004 0.000 2.664 454 G HA2 0.407 4.368 3.960 0.001 0.000 0.216 454 G HA3 0.407 4.368 3.960 0.001 0.000 0.216 454 G C 0.204 175.104 174.900 0.001 0.000 1.243 454 G CA 0.828 45.930 45.100 0.003 0.000 0.859 454 G HN 0.999 nan 8.290 nan 0.000 0.574 455 L N 1.401 122.623 121.223 -0.001 0.000 2.427 455 L HA 0.598 4.939 4.340 0.001 0.000 0.264 455 L C -0.579 176.288 176.870 -0.006 0.000 0.989 455 L CA -0.329 54.510 54.840 -0.003 0.000 0.865 455 L CB 2.021 44.079 42.059 -0.002 0.000 1.209 455 L HN -0.006 nan 8.230 nan 0.000 0.430 456 S N 5.340 121.036 115.700 -0.007 0.000 2.416 456 S HA 0.300 4.770 4.470 0.001 0.000 0.302 456 S C 1.285 175.877 174.600 -0.013 0.000 1.120 456 S CA -0.430 57.763 58.200 -0.012 0.000 1.067 456 S CB 0.002 63.196 63.200 -0.010 0.000 1.057 456 S HN 0.660 nan 8.310 nan 0.000 0.518 457 I N 1.823 122.383 120.570 -0.017 0.000 2.834 457 I HA 0.248 4.419 4.170 0.001 0.000 0.239 457 I C 1.083 177.190 176.117 -0.017 0.000 1.073 457 I CA 0.124 61.416 61.300 -0.014 0.000 1.459 457 I CB -0.285 37.708 38.000 -0.011 0.000 1.288 457 I HN 0.399 nan 8.210 nan 0.000 0.455 458 L N 1.093 122.301 121.223 -0.026 0.000 2.721 458 L HA 0.383 4.724 4.340 0.001 0.000 0.154 458 L C 0.970 177.819 176.870 -0.036 0.000 1.831 458 L CA -0.252 54.572 54.840 -0.026 0.000 2.816 458 L CB -0.152 41.891 42.059 -0.028 0.000 3.008 458 L HN 0.187 nan 8.230 nan 0.000 0.696 459 R N -0.010 120.463 120.500 -0.045 0.000 2.566 459 R HA -0.058 4.283 4.340 0.001 0.000 0.273 459 R C -0.555 175.694 176.300 -0.085 0.000 0.981 459 R CA 0.394 56.463 56.100 -0.053 0.000 1.091 459 R CB 0.027 30.288 30.300 -0.065 0.000 0.924 459 R HN 0.585 nan 8.270 nan 0.000 0.411 460 T N 2.662 117.191 114.554 -0.041 0.000 2.851 460 T HA 0.076 4.427 4.350 0.001 0.000 0.298 460 T C 1.019 175.694 174.700 -0.042 0.000 0.977 460 T CA -0.583 61.503 62.100 -0.022 0.000 1.126 460 T CB 0.544 69.429 68.868 0.029 0.000 0.916 460 T HN 0.609 nan 8.240 nan 0.000 0.529 461 N N 3.268 121.942 118.700 -0.044 0.000 2.494 461 N HA 0.014 4.755 4.740 0.001 0.000 0.182 461 N C 0.693 176.424 175.510 0.369 0.000 1.076 461 N CA 0.275 53.367 53.050 0.070 0.000 0.908 461 N CB -0.025 38.508 38.487 0.077 0.000 0.967 461 N HN 0.560 nan 8.380 nan 0.000 0.449 462 R N 1.274 121.892 120.500 0.197 0.000 2.242 462 R HA 0.241 4.582 4.340 0.001 0.000 0.334 462 R C -1.059 175.372 176.300 0.219 0.000 1.071 462 R CA 0.008 56.215 56.100 0.178 0.000 0.922 462 R CB 0.288 30.637 30.300 0.081 0.000 1.023 462 R HN -0.229 nan 8.270 nan 0.000 0.458 463 V N 3.869 123.944 119.914 0.267 0.000 2.680 463 V HA 0.400 4.521 4.120 0.001 0.000 0.309 463 V C -0.438 175.750 176.094 0.157 0.000 1.052 463 V CA -0.776 61.651 62.300 0.212 0.000 0.908 463 V CB 1.883 33.836 31.823 0.216 0.000 1.001 463 V HN 0.753 nan 8.190 nan 0.000 0.431 464 E N 2.520 122.789 120.200 0.115 0.000 2.275 464 E HA 0.700 5.050 4.350 0.001 0.000 0.270 464 E C -1.726 174.933 176.600 0.098 0.000 0.882 464 E CA -0.523 55.941 56.400 0.107 0.000 0.758 464 E CB 2.440 32.176 29.700 0.060 0.000 1.195 464 E HN 0.654 nan 8.360 nan 0.000 0.419 465 V N 1.174 121.159 119.914 0.118 0.000 2.876 465 V HA 0.712 4.833 4.120 0.001 0.000 0.312 465 V C -2.739 173.441 176.094 0.143 0.000 1.085 465 V CA -2.439 59.929 62.300 0.112 0.000 0.945 465 V CB 1.580 33.464 31.823 0.102 0.000 1.017 465 V HN 0.541 nan 8.190 nan 0.000 0.428 466 P HA 0.424 nan 4.420 nan 0.000 0.282 466 P C -1.031 176.397 177.300 0.214 0.000 1.262 466 P CA 0.009 63.203 63.100 0.156 0.000 0.773 466 P CB 1.027 32.785 31.700 0.097 0.000 0.879 467 I N 3.125 123.803 120.570 0.180 0.000 2.382 467 I HA 0.424 4.595 4.170 0.001 0.000 0.286 467 I C 0.426 176.650 176.117 0.178 0.000 1.002 467 I CA -0.483 60.917 61.300 0.166 0.000 1.135 467 I CB 1.074 39.088 38.000 0.022 0.000 1.288 467 I HN 0.470 nan 8.210 nan 0.000 0.448 468 E N 5.208 125.570 120.200 0.271 0.000 2.308 468 E HA 0.543 4.894 4.350 0.001 0.000 0.275 468 E C -1.878 174.852 176.600 0.217 0.000 0.890 468 E CA -0.389 56.150 56.400 0.231 0.000 0.754 468 E CB 2.208 32.025 29.700 0.195 0.000 1.207 468 E HN 0.615 nan 8.360 nan 0.000 0.426 469 c N 3.473 122.174 118.600 0.169 0.000 2.408 469 c HA 0.591 5.161 4.570 0.001 0.000 0.321 469 c C -0.620 173.484 174.090 0.023 0.000 1.245 469 c CA -0.646 55.709 56.329 0.043 0.000 1.523 469 c CB 0.795 43.348 42.510 0.071 0.000 2.178 469 c HN 0.688 nan 8.230 nan 0.000 0.488 470 R N 2.230 122.606 120.500 -0.207 0.000 2.393 470 R HA 0.556 4.897 4.340 0.001 0.000 0.315 470 R C -1.800 174.302 176.300 -0.330 0.000 0.952 470 R CA -0.399 55.629 56.100 -0.120 0.000 0.842 470 R CB 1.472 31.746 30.300 -0.043 0.000 1.163 470 R HN 0.660 nan 8.270 nan 0.000 0.450 471 Y N 2.408 122.790 120.300 0.136 0.000 2.364 471 Y HA 0.323 4.873 4.550 0.001 0.000 0.340 471 Y C -2.022 173.920 175.900 0.070 0.000 0.975 471 Y CA -2.981 55.180 58.100 0.101 0.000 1.089 471 Y CB 1.578 40.121 38.460 0.139 0.000 1.192 471 Y HN 0.414 nan 8.280 nan 0.000 0.454 472 P HA 0.061 nan 4.420 nan 0.000 0.262 472 P C -0.080 177.280 177.300 0.100 0.000 1.182 472 P CA 0.197 63.355 63.100 0.097 0.000 0.761 472 P CB 0.638 32.373 31.700 0.059 0.000 0.795 473 R N 0.000 120.543 120.500 0.072 0.000 2.786 473 R HA 0.000 4.341 4.340 0.001 0.000 0.208 473 R CA 0.000 56.133 56.100 0.055 0.000 0.921 473 R CB 0.000 30.325 30.300 0.041 0.000 0.687 473 R HN 0.000 nan 8.270 nan 0.000 0.535