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 2jiz_1_A DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAAF AQFGSDLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLSKI RTDGKISEES DAKLKEIVTN FLAGFEA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.290 176.300 -0.017 0.000 2.045 24 D CA 0.000 53.995 54.000 -0.008 0.000 0.868 24 D CB 0.000 40.792 40.800 -0.013 0.000 0.688 25 L N 2.808 124.016 121.223 -0.025 0.000 2.629 25 L HA 0.308 4.649 4.340 0.002 0.000 0.230 25 L C 1.618 178.444 176.870 -0.073 0.000 1.151 25 L CA 0.174 54.980 54.840 -0.057 0.000 0.924 25 L CB 0.163 42.174 42.059 -0.080 0.000 1.137 25 L HN 0.413 nan 8.230 nan 0.000 0.457 26 E N -0.059 120.110 120.200 -0.051 0.000 2.127 26 E HA -0.053 4.298 4.350 0.002 0.000 0.191 26 E C 1.297 177.867 176.600 -0.049 0.000 0.964 26 E CA 0.564 56.934 56.400 -0.049 0.000 0.832 26 E CB 0.419 30.098 29.700 -0.035 0.000 0.790 26 E HN 0.355 nan 8.360 nan 0.000 0.465 27 E N 0.204 120.378 120.200 -0.044 0.000 2.465 27 E HA 0.038 4.389 4.350 0.002 0.000 0.209 27 E C 0.758 177.326 176.600 -0.053 0.000 0.951 27 E CA 0.467 56.839 56.400 -0.046 0.000 0.997 27 E CB 1.118 30.796 29.700 -0.036 0.000 1.025 27 E HN 0.180 nan 8.360 nan 0.000 0.500 28 T N -1.814 112.710 114.554 -0.050 0.000 2.916 28 T HA 0.765 5.116 4.350 0.002 0.000 0.292 28 T C 0.241 174.910 174.700 -0.052 0.000 1.064 28 T CA -0.537 61.532 62.100 -0.052 0.000 1.011 28 T CB 2.587 71.436 68.868 -0.032 0.000 1.152 28 T HN -0.008 nan 8.240 nan 0.000 0.510 29 G N 0.329 109.100 108.800 -0.049 0.000 2.798 29 G HA2 0.696 4.657 3.960 0.002 0.000 0.286 29 G HA3 0.696 4.657 3.960 0.002 0.000 0.286 29 G C -1.550 173.365 174.900 0.026 0.000 1.389 29 G CA -1.183 43.903 45.100 -0.024 0.000 0.894 29 G HN 0.816 nan 8.290 nan 0.000 0.488 30 R N -0.288 120.263 120.500 0.084 0.000 2.480 30 R HA 0.464 4.805 4.340 0.002 0.000 0.306 30 R C -0.719 175.654 176.300 0.123 0.000 0.958 30 R CA -0.699 55.464 56.100 0.105 0.000 0.861 30 R CB 2.471 32.842 30.300 0.119 0.000 1.171 30 R HN 0.315 nan 8.270 nan 0.000 0.445 31 V N 5.712 125.703 119.914 0.129 0.000 2.458 31 V HA -0.070 4.051 4.120 0.002 0.000 0.287 31 V C 1.642 177.793 176.094 0.094 0.000 1.009 31 V CA 0.582 62.966 62.300 0.140 0.000 1.091 31 V CB 0.213 32.137 31.823 0.168 0.000 0.960 31 V HN 0.782 nan 8.190 nan 0.000 0.476 32 L N 3.872 125.149 121.223 0.090 0.000 2.068 32 L HA 0.068 4.409 4.340 0.002 0.000 0.204 32 L C 1.061 177.955 176.870 0.040 0.000 1.076 32 L CA 1.227 56.100 54.840 0.055 0.000 0.753 32 L CB 0.013 42.108 42.059 0.059 0.000 0.910 32 L HN 0.865 nan 8.230 nan 0.000 0.439 33 S N -1.253 114.476 115.700 0.048 0.000 2.570 33 S HA 0.644 5.115 4.470 0.002 0.000 0.270 33 S C -1.054 173.565 174.600 0.033 0.000 1.149 33 S CA -0.795 57.424 58.200 0.031 0.000 0.837 33 S CB 2.736 65.949 63.200 0.021 0.000 1.124 33 S HN 0.027 nan 8.310 nan 0.000 0.465 34 I N 0.205 120.782 120.570 0.010 0.000 2.680 34 I HA 0.857 5.027 4.170 0.002 0.000 0.291 34 I C -0.518 175.587 176.117 -0.021 0.000 1.244 34 I CA 0.398 61.693 61.300 -0.009 0.000 1.042 34 I CB 1.523 39.501 38.000 -0.037 0.000 1.277 34 I HN 1.379 nan 8.210 nan 0.000 0.423 35 G N 4.520 113.305 108.800 -0.025 0.000 2.473 35 G HA2 0.438 4.399 3.960 0.002 0.000 0.298 35 G HA3 0.438 4.399 3.960 0.002 0.000 0.298 35 G C -1.307 173.575 174.900 -0.030 0.000 1.575 35 G CA -0.415 44.668 45.100 -0.028 0.000 0.846 35 G HN 0.718 nan 8.290 nan 0.000 0.585 36 D N -0.311 120.069 120.400 -0.034 0.000 2.772 36 D HA -0.160 4.481 4.640 0.002 0.000 0.233 36 D C 1.614 177.891 176.300 -0.039 0.000 1.143 36 D CA 2.719 56.697 54.000 -0.035 0.000 0.700 36 D CB -1.200 39.580 40.800 -0.034 0.000 1.076 36 D HN 2.267 nan 8.370 nan 0.000 0.430 37 G N -0.780 107.995 108.800 -0.042 0.000 2.168 37 G HA2 -0.299 3.661 3.960 0.002 0.000 0.257 37 G HA3 -0.299 3.661 3.960 0.002 0.000 0.257 37 G C 0.206 175.096 174.900 -0.017 0.000 0.997 37 G CA 0.463 45.540 45.100 -0.039 0.000 0.708 37 G HN 0.520 nan 8.290 nan 0.000 0.520 38 I N 0.476 121.038 120.570 -0.013 0.000 2.418 38 I HA 0.665 4.836 4.170 0.002 0.000 0.287 38 I C 0.365 176.501 176.117 0.032 0.000 1.008 38 I CA -1.064 60.246 61.300 0.018 0.000 1.104 38 I CB 1.358 39.359 38.000 0.003 0.000 1.264 38 I HN 0.284 nan 8.210 nan 0.000 0.438 39 A N 7.477 130.352 122.820 0.091 0.000 2.288 39 A HA 0.695 5.016 4.320 0.002 0.000 0.320 39 A C -0.081 177.585 177.584 0.137 0.000 1.217 39 A CA -0.721 51.395 52.037 0.132 0.000 0.840 39 A CB 0.746 19.912 19.000 0.277 0.000 1.179 39 A HN 0.561 nan 8.150 nan 0.000 0.504 40 R N 1.901 122.461 120.500 0.100 0.000 2.221 40 R HA 0.431 4.772 4.340 0.002 0.000 0.327 40 R C -0.974 175.390 176.300 0.106 0.000 1.033 40 R CA -0.308 55.844 56.100 0.087 0.000 0.887 40 R CB 0.969 31.305 30.300 0.061 0.000 1.057 40 R HN 0.434 nan 8.270 nan 0.000 0.455 41 V N 3.581 123.554 119.914 0.099 0.000 2.448 41 V HA 0.149 4.270 4.120 0.002 0.000 0.295 41 V C 0.102 176.255 176.094 0.099 0.000 1.025 41 V CA -1.014 61.346 62.300 0.099 0.000 0.859 41 V CB 1.342 33.199 31.823 0.057 0.000 0.988 41 V HN 0.684 nan 8.190 nan 0.000 0.431 42 H N 3.383 122.467 119.070 0.022 0.000 2.732 42 H HA 0.559 5.115 4.556 -0.000 0.000 0.351 42 H C 0.726 176.056 175.328 0.002 0.000 1.090 42 H CA 1.748 57.803 56.048 0.012 0.000 1.431 42 H CB 0.845 30.615 29.762 0.013 0.000 1.447 42 H HN 1.110 nan 8.280 nan 0.000 0.582 43 G N 2.952 111.419 108.800 -0.555 0.000 2.496 43 G HA2 -0.247 3.714 3.960 0.002 0.000 0.243 43 G HA3 -0.247 3.714 3.960 0.002 0.000 0.243 43 G C -0.013 174.780 174.900 -0.178 0.000 1.176 43 G CA -0.342 44.533 45.100 -0.375 0.000 0.940 43 G HN 1.200 nan 8.290 nan 0.000 0.573 44 L N -0.395 120.755 121.223 -0.122 0.000 3.739 44 L HA -0.228 4.113 4.340 0.002 0.000 0.442 44 L C 2.221 179.042 176.870 -0.082 0.000 1.241 44 L CA 0.760 55.546 54.840 -0.090 0.000 0.819 44 L CB -0.752 41.256 42.059 -0.084 0.000 1.679 44 L HN 0.616 nan 8.230 nan 0.000 0.889 45 R N 0.157 120.605 120.500 -0.088 0.000 2.139 45 R HA -0.090 4.251 4.340 0.002 0.000 0.243 45 R C 1.426 177.697 176.300 -0.049 0.000 1.145 45 R CA 1.434 57.492 56.100 -0.070 0.000 0.976 45 R CB -0.444 29.815 30.300 -0.067 0.000 0.866 45 R HN 0.574 nan 8.270 nan 0.000 0.449 46 N N 0.379 119.051 118.700 -0.046 0.000 2.270 46 N HA 0.017 4.758 4.740 0.002 0.000 0.198 46 N C -0.136 175.352 175.510 -0.035 0.000 1.117 46 N CA 0.023 53.051 53.050 -0.036 0.000 0.845 46 N CB 0.437 38.904 38.487 -0.033 0.000 0.980 46 N HN 0.001 nan 8.380 nan 0.000 0.486 47 V N -0.116 119.773 119.914 -0.041 0.000 2.763 47 V HA 0.048 4.169 4.120 0.002 0.000 0.306 47 V C 0.577 176.656 176.094 -0.025 0.000 1.059 47 V CA -0.522 61.756 62.300 -0.038 0.000 1.138 47 V CB 0.299 32.097 31.823 -0.042 0.000 0.940 47 V HN 0.084 nan 8.190 nan 0.000 0.489 48 Q N 2.372 122.159 119.800 -0.021 0.000 2.260 48 Q HA 0.648 4.989 4.340 0.002 0.000 0.238 48 Q C 0.248 176.246 176.000 -0.003 0.000 0.948 48 Q CA -0.392 55.405 55.803 -0.010 0.000 0.895 48 Q CB 1.356 30.088 28.738 -0.010 0.000 1.218 48 Q HN 1.073 nan 8.270 nan 0.000 0.470 49 A N 1.774 124.599 122.820 0.008 0.000 2.488 49 A HA 0.093 4.414 4.320 0.002 0.000 0.249 49 A C 0.077 177.676 177.584 0.024 0.000 1.083 49 A CA 0.103 52.152 52.037 0.020 0.000 0.768 49 A CB -0.227 18.790 19.000 0.028 0.000 1.017 49 A HN 0.947 nan 8.150 nan 0.000 0.496 50 E N -0.390 119.833 120.200 0.037 0.000 3.413 50 E HA -0.193 4.158 4.350 0.002 0.000 0.300 50 E C 0.107 176.725 176.600 0.030 0.000 0.891 50 E CA 1.110 57.541 56.400 0.052 0.000 1.050 50 E CB -1.483 28.248 29.700 0.051 0.000 1.534 50 E HN 0.923 nan 8.360 nan 0.000 0.436 51 E N 0.779 120.984 120.200 0.007 0.000 2.354 51 E HA 0.159 4.510 4.350 0.002 0.000 0.269 51 E C 0.098 176.676 176.600 -0.037 0.000 1.036 51 E CA -0.363 56.026 56.400 -0.019 0.000 0.876 51 E CB 0.613 30.295 29.700 -0.031 0.000 1.009 51 E HN -0.005 nan 8.360 nan 0.000 0.416 52 M N 4.740 124.299 119.600 -0.068 0.000 2.184 52 M HA 0.126 4.607 4.480 0.002 0.000 0.351 52 M C -0.165 176.056 176.300 -0.132 0.000 1.395 52 M CA -0.190 55.035 55.300 -0.125 0.000 1.117 52 M CB 0.377 32.877 32.600 -0.166 0.000 1.708 52 M HN 0.393 nan 8.290 nan 0.000 0.468 53 V N 1.396 121.211 119.914 -0.165 0.000 3.204 53 V HA 0.741 4.862 4.120 0.002 0.000 0.316 53 V C -0.638 175.298 176.094 -0.263 0.000 1.160 53 V CA -0.908 61.264 62.300 -0.213 0.000 1.044 53 V CB 2.202 33.867 31.823 -0.262 0.000 1.136 53 V HN 0.872 nan 8.190 nan 0.000 0.455 54 E N -0.038 119.983 120.200 -0.298 0.000 2.263 54 E HA 0.539 4.889 4.350 0.002 0.000 0.268 54 E C -1.765 174.679 176.600 -0.261 0.000 0.884 54 E CA -0.664 55.613 56.400 -0.205 0.000 0.766 54 E CB 1.817 31.465 29.700 -0.087 0.000 1.196 54 E HN 0.584 nan 8.360 nan 0.000 0.416 55 F N 1.524 121.473 119.950 -0.002 0.000 2.378 55 F HA 0.099 4.626 4.527 -0.000 0.000 0.319 55 F C 2.093 177.897 175.800 0.007 0.000 1.155 55 F CA 0.105 58.111 58.000 0.009 0.000 1.157 55 F CB 1.222 40.233 39.000 0.019 0.000 1.252 55 F HN 0.626 nan 8.300 nan 0.000 0.550 56 S N -0.399 115.422 115.700 0.202 0.000 2.383 56 S HA -0.231 4.239 4.470 0.002 0.000 0.229 56 S C 1.965 176.623 174.600 0.096 0.000 1.030 56 S CA 1.352 59.617 58.200 0.109 0.000 1.002 56 S CB -1.162 62.089 63.200 0.086 0.000 0.829 56 S HN 0.708 nan 8.310 nan 0.000 0.467 57 S N 0.910 116.677 115.700 0.112 0.000 2.469 57 S HA 0.258 4.729 4.470 0.002 0.000 0.238 57 S C 1.813 176.460 174.600 0.078 0.000 0.998 57 S CA 0.977 59.223 58.200 0.077 0.000 0.957 57 S CB -1.034 62.199 63.200 0.054 0.000 0.764 57 S HN 1.627 nan 8.310 nan 0.000 0.514 58 G N 0.438 109.303 108.800 0.108 0.000 2.195 58 G HA2 -0.197 3.763 3.960 0.002 0.000 0.224 58 G HA3 -0.197 3.763 3.960 0.002 0.000 0.224 58 G C -0.004 174.964 174.900 0.113 0.000 0.990 58 G CA -0.043 45.110 45.100 0.088 0.000 0.639 58 G HN 0.501 nan 8.290 nan 0.000 0.514 59 L N 0.873 122.191 121.223 0.158 0.000 2.483 59 L HA 0.347 4.687 4.340 0.002 0.000 0.276 59 L C 0.712 177.769 176.870 0.311 0.000 1.213 59 L CA -0.084 54.871 54.840 0.192 0.000 0.843 59 L CB 0.399 42.528 42.059 0.116 0.000 1.107 59 L HN -0.035 nan 8.230 nan 0.000 0.487 60 K N 1.419 121.946 120.400 0.211 0.000 2.095 60 K HA 0.729 5.050 4.320 0.002 0.000 0.252 60 K C -0.038 176.712 176.600 0.250 0.000 0.977 60 K CA -0.501 55.831 56.287 0.075 0.000 0.900 60 K CB 1.830 34.182 32.500 -0.246 0.000 1.060 60 K HN 0.756 nan 8.250 nan 0.000 0.449 61 G N 0.156 109.033 108.800 0.128 0.000 2.690 61 G HA2 0.581 4.542 3.960 0.002 0.000 0.293 61 G HA3 0.581 4.542 3.960 0.002 0.000 0.293 61 G C -1.532 173.427 174.900 0.099 0.000 1.399 61 G CA -0.670 44.639 45.100 0.347 0.000 0.890 61 G HN 0.423 nan 8.290 nan 0.000 0.485 62 M N 1.183 120.955 119.600 0.288 0.000 2.294 62 M HA 0.466 4.947 4.480 0.002 0.000 0.335 62 M C -0.193 176.198 176.300 0.151 0.000 1.079 62 M CA -0.576 54.842 55.300 0.196 0.000 0.982 62 M CB 1.670 34.489 32.600 0.364 0.000 1.651 62 M HN 0.348 nan 8.290 nan 0.000 0.437 63 S N 5.830 121.576 115.700 0.076 0.000 3.065 63 S HA 0.209 4.680 4.470 0.002 0.000 0.311 63 S C 1.081 175.717 174.600 0.060 0.000 1.204 63 S CA -0.348 57.883 58.200 0.052 0.000 1.040 63 S CB -0.330 62.877 63.200 0.012 0.000 1.436 63 S HN 0.692 nan 8.310 nan 0.000 0.532 64 L N 1.496 122.759 121.223 0.067 0.000 2.162 64 L HA 0.129 4.470 4.340 0.002 0.000 0.205 64 L C 0.219 177.112 176.870 0.037 0.000 1.086 64 L CA 0.632 55.505 54.840 0.055 0.000 0.778 64 L CB -0.141 41.939 42.059 0.034 0.000 0.928 64 L HN 0.369 nan 8.230 nan 0.000 0.446 65 N N 0.623 119.340 118.700 0.029 0.000 2.446 65 N HA 0.397 5.138 4.740 0.002 0.000 0.265 65 N C -1.011 174.512 175.510 0.021 0.000 0.975 65 N CA -0.085 52.979 53.050 0.022 0.000 0.928 65 N CB 1.442 39.937 38.487 0.014 0.000 1.160 65 N HN -0.001 nan 8.380 nan 0.000 0.495 66 L N 2.044 123.278 121.223 0.019 0.000 2.262 66 L HA 0.440 4.781 4.340 0.002 0.000 0.288 66 L C 0.316 177.193 176.870 0.011 0.000 1.035 66 L CA -0.346 54.500 54.840 0.011 0.000 0.820 66 L CB 0.751 42.815 42.059 0.009 0.000 1.204 66 L HN 0.372 nan 8.230 nan 0.000 0.424 67 E N 3.522 123.728 120.200 0.010 0.000 2.281 67 E HA 0.327 4.677 4.350 0.002 0.000 0.262 67 E C -1.753 174.852 176.600 0.009 0.000 0.933 67 E CA -1.773 54.634 56.400 0.012 0.000 0.809 67 E CB 2.019 31.729 29.700 0.016 0.000 1.242 67 E HN 0.278 nan 8.360 nan 0.000 0.418 68 P HA -0.191 nan 4.420 nan 0.000 0.216 68 P C 0.334 177.643 177.300 0.014 0.000 1.150 68 P CA 1.443 64.549 63.100 0.010 0.000 0.843 68 P CB 0.159 31.867 31.700 0.013 0.000 0.787 69 D N -2.532 117.884 120.400 0.028 0.000 2.469 69 D HA 0.081 4.722 4.640 0.002 0.000 0.215 69 D C -0.071 176.273 176.300 0.072 0.000 1.154 69 D CA -0.301 53.732 54.000 0.056 0.000 0.832 69 D CB -0.796 40.045 40.800 0.068 0.000 1.008 69 D HN 0.329 nan 8.370 nan 0.000 0.506 70 N N -1.446 117.277 118.700 0.039 0.000 3.043 70 N HA 0.327 5.068 4.740 0.002 0.000 0.243 70 N C -2.028 173.495 175.510 0.021 0.000 1.347 70 N CA -0.928 52.148 53.050 0.042 0.000 0.896 70 N CB 1.495 40.018 38.487 0.060 0.000 1.501 70 N HN -0.206 nan 8.380 nan 0.000 0.504 71 V N 0.420 120.346 119.914 0.021 0.000 2.398 71 V HA 0.731 4.852 4.120 0.002 0.000 0.286 71 V C 0.860 176.979 176.094 0.041 0.000 1.026 71 V CA -0.541 61.771 62.300 0.019 0.000 0.868 71 V CB 1.202 33.025 31.823 -0.000 0.000 0.982 71 V HN 0.879 nan 8.190 nan 0.000 0.443 72 G N 4.042 112.866 108.800 0.039 0.000 2.394 72 G HA2 0.464 4.425 3.960 0.002 0.000 0.298 72 G HA3 0.464 4.425 3.960 0.002 0.000 0.298 72 G C -0.505 174.437 174.900 0.070 0.000 1.087 72 G CA -0.121 45.008 45.100 0.049 0.000 1.035 72 G HN 0.546 nan 8.290 nan 0.000 0.420 73 V N 3.774 123.757 119.914 0.114 0.000 2.370 73 V HA 0.222 4.343 4.120 0.002 0.000 0.283 73 V C 0.304 176.523 176.094 0.209 0.000 1.023 73 V CA -0.844 61.561 62.300 0.174 0.000 0.857 73 V CB 1.628 33.592 31.823 0.234 0.000 0.985 73 V HN 0.421 nan 8.190 nan 0.000 0.443 74 V N 6.285 126.322 119.914 0.204 0.000 2.461 74 V HA 0.249 4.370 4.120 0.002 0.000 0.275 74 V C 0.126 176.404 176.094 0.308 0.000 1.047 74 V CA -0.092 62.313 62.300 0.174 0.000 0.955 74 V CB 1.839 33.724 31.823 0.103 0.000 0.988 74 V HN 0.662 nan 8.190 nan 0.000 0.471 75 V N 7.051 127.080 119.914 0.192 0.000 2.432 75 V HA 0.301 4.422 4.120 0.002 0.000 0.275 75 V C -0.057 176.162 176.094 0.209 0.000 1.043 75 V CA -0.307 62.122 62.300 0.215 0.000 0.925 75 V CB 1.084 32.895 31.823 -0.020 0.000 0.985 75 V HN 0.693 nan 8.190 nan 0.000 0.466 76 F N 4.785 124.784 119.950 0.082 0.000 2.606 76 F HA 0.653 5.180 4.527 0.001 0.000 0.347 76 F C 1.023 176.849 175.800 0.042 0.000 1.207 76 F CA 0.293 58.337 58.000 0.075 0.000 1.306 76 F CB 0.219 39.279 39.000 0.100 0.000 1.657 76 F HN 0.757 nan 8.300 nan 0.000 0.606 77 G N 0.663 109.528 108.800 0.109 0.000 2.332 77 G HA2 -0.073 3.888 3.960 0.002 0.000 0.265 77 G HA3 -0.073 3.888 3.960 0.002 0.000 0.265 77 G C -1.496 173.406 174.900 0.004 0.000 1.329 77 G CA -1.165 43.969 45.100 0.058 0.000 0.949 77 G HN 0.140 nan 8.290 nan 0.000 0.476 78 N N 0.648 119.343 118.700 -0.008 0.000 2.488 78 N HA 0.246 4.987 4.740 0.002 0.000 0.274 78 N C 0.497 175.970 175.510 -0.062 0.000 1.111 78 N CA -0.233 52.800 53.050 -0.028 0.000 0.974 78 N CB 1.411 39.887 38.487 -0.017 0.000 1.089 78 N HN 0.394 nan 8.380 nan 0.000 0.465 79 D N 2.482 122.841 120.400 -0.068 0.000 2.218 79 D HA -0.190 4.451 4.640 0.002 0.000 0.204 79 D C 1.579 177.829 176.300 -0.082 0.000 0.976 79 D CA 1.099 55.042 54.000 -0.094 0.000 0.853 79 D CB 0.147 40.904 40.800 -0.072 0.000 0.939 79 D HN 0.741 nan 8.370 nan 0.000 0.481 80 K N 0.730 121.097 120.400 -0.054 0.000 2.218 80 K HA -0.147 4.174 4.320 0.002 0.000 0.205 80 K C 1.738 178.312 176.600 -0.044 0.000 1.046 80 K CA 1.104 57.367 56.287 -0.040 0.000 0.933 80 K CB -0.423 32.062 32.500 -0.025 0.000 0.728 80 K HN 0.186 nan 8.250 nan 0.000 0.454 81 L N 0.859 122.048 121.223 -0.057 0.000 2.591 81 L HA 0.251 4.592 4.340 0.002 0.000 0.228 81 L C 0.513 177.339 176.870 -0.073 0.000 1.133 81 L CA -0.097 54.713 54.840 -0.050 0.000 0.880 81 L CB -0.013 42.023 42.059 -0.037 0.000 1.033 81 L HN 0.157 nan 8.230 nan 0.000 0.450 82 I N 0.204 120.703 120.570 -0.119 0.000 2.406 82 I HA 0.282 4.453 4.170 0.002 0.000 0.290 82 I C -0.251 175.826 176.117 -0.066 0.000 0.999 82 I CA -0.369 60.848 61.300 -0.138 0.000 1.124 82 I CB 1.493 39.288 38.000 -0.341 0.000 1.289 82 I HN -0.033 nan 8.210 nan 0.000 0.441 83 K N 4.613 125.003 120.400 -0.016 0.000 2.395 83 K HA 0.368 4.689 4.320 0.002 0.000 0.247 83 K C -0.624 175.991 176.600 0.024 0.000 0.973 83 K CA -0.995 55.293 56.287 0.001 0.000 0.828 83 K CB 2.299 34.802 32.500 0.005 0.000 1.272 83 K HN 0.519 nan 8.250 nan 0.000 0.439 84 E N 0.360 120.572 120.200 0.020 0.000 2.558 84 E HA -0.082 4.269 4.350 0.002 0.000 0.255 84 E C 0.499 177.121 176.600 0.036 0.000 0.968 84 E CA 1.401 57.819 56.400 0.029 0.000 0.939 84 E CB 0.050 29.760 29.700 0.016 0.000 0.921 84 E HN 0.812 nan 8.360 nan 0.000 0.477 85 G N 4.110 112.940 108.800 0.050 0.000 2.194 85 G HA2 -0.229 3.731 3.960 0.002 0.000 0.236 85 G HA3 -0.229 3.731 3.960 0.002 0.000 0.236 85 G C -0.135 174.803 174.900 0.064 0.000 0.987 85 G CA 0.077 45.206 45.100 0.049 0.000 0.635 85 G HN 0.649 nan 8.290 nan 0.000 0.520 86 D N 0.580 121.030 120.400 0.084 0.000 2.488 86 D HA 0.385 5.026 4.640 0.002 0.000 0.238 86 D C 0.927 177.296 176.300 0.115 0.000 1.138 86 D CA 0.089 54.153 54.000 0.107 0.000 0.873 86 D CB 0.576 41.464 40.800 0.147 0.000 1.183 86 D HN 0.257 nan 8.370 nan 0.000 0.458 87 I N 2.099 122.720 120.570 0.085 0.000 2.529 87 I HA 0.063 4.234 4.170 0.002 0.000 0.284 87 I C -0.014 176.119 176.117 0.027 0.000 1.082 87 I CA -0.000 61.330 61.300 0.050 0.000 1.406 87 I CB 0.889 38.907 38.000 0.030 0.000 1.405 87 I HN 0.021 nan 8.210 nan 0.000 0.548 88 V N 6.711 126.600 119.914 -0.042 0.000 2.540 88 V HA 0.494 4.615 4.120 0.002 0.000 0.302 88 V C -0.153 175.846 176.094 -0.158 0.000 1.035 88 V CA -0.983 61.203 62.300 -0.190 0.000 0.873 88 V CB 1.653 33.294 31.823 -0.305 0.000 0.992 88 V HN 0.594 nan 8.190 nan 0.000 0.428 89 K N 3.392 123.686 120.400 -0.177 0.000 2.316 89 K HA 0.636 4.957 4.320 0.002 0.000 0.251 89 K C -0.575 175.946 176.600 -0.132 0.000 0.934 89 K CA -0.894 55.321 56.287 -0.120 0.000 0.802 89 K CB 2.535 34.987 32.500 -0.081 0.000 1.171 89 K HN 0.568 nan 8.250 nan 0.000 0.426 90 R N 0.622 121.062 120.500 -0.099 0.000 2.543 90 R HA 0.075 4.416 4.340 0.002 0.000 0.277 90 R C 0.736 176.994 176.300 -0.069 0.000 1.074 90 R CA 0.109 56.158 56.100 -0.085 0.000 1.076 90 R CB 0.447 30.707 30.300 -0.066 0.000 0.993 90 R HN 0.793 nan 8.270 nan 0.000 0.459 91 T N -2.216 112.298 114.554 -0.066 0.000 3.058 91 T HA 0.210 4.561 4.350 0.002 0.000 0.278 91 T C 1.101 175.775 174.700 -0.043 0.000 0.974 91 T CA 0.157 62.225 62.100 -0.052 0.000 0.893 91 T CB 0.765 69.601 68.868 -0.054 0.000 1.138 91 T HN 0.810 nan 8.240 nan 0.000 0.529 92 G N 1.590 110.364 108.800 -0.044 0.000 2.136 92 G HA2 0.018 3.979 3.960 0.002 0.000 0.242 92 G HA3 0.018 3.979 3.960 0.002 0.000 0.242 92 G C 0.339 175.216 174.900 -0.039 0.000 0.989 92 G CA -0.111 44.968 45.100 -0.036 0.000 0.682 92 G HN 1.255 nan 8.290 nan 0.000 0.522 93 A N -0.090 122.700 122.820 -0.049 0.000 2.445 93 A HA 0.620 4.941 4.320 0.002 0.000 0.242 93 A C 0.440 177.996 177.584 -0.048 0.000 1.075 93 A CA 0.415 52.420 52.037 -0.054 0.000 0.777 93 A CB 0.580 19.535 19.000 -0.075 0.000 1.013 93 A HN 1.271 nan 8.150 nan 0.000 0.493 94 I N 3.008 123.552 120.570 -0.043 0.000 2.533 94 I HA 0.307 4.478 4.170 0.002 0.000 0.290 94 I C -0.607 175.489 176.117 -0.036 0.000 1.056 94 I CA -0.611 60.668 61.300 -0.035 0.000 1.057 94 I CB 1.974 39.959 38.000 -0.026 0.000 1.240 94 I HN 0.303 nan 8.210 nan 0.000 0.423 95 V N 7.810 127.704 119.914 -0.032 0.000 2.302 95 V HA 0.141 4.262 4.120 0.002 0.000 0.244 95 V C -0.135 175.951 176.094 -0.013 0.000 1.160 95 V CA -0.220 62.065 62.300 -0.024 0.000 1.127 95 V CB -0.688 31.127 31.823 -0.013 0.000 1.253 95 V HN 0.757 nan 8.190 nan 0.000 0.496 96 D N 3.396 123.790 120.400 -0.010 0.000 2.493 96 D HA 0.710 5.351 4.640 0.002 0.000 0.239 96 D C -0.414 175.888 176.300 0.003 0.000 1.049 96 D CA -0.707 53.291 54.000 -0.003 0.000 1.008 96 D CB 2.336 43.130 40.800 -0.009 0.000 1.398 96 D HN 0.266 nan 8.370 nan 0.000 0.513 97 V N -4.647 115.269 119.914 0.005 0.000 3.040 97 V HA 0.738 4.858 4.120 0.002 0.000 0.312 97 V C -2.776 173.309 176.094 -0.015 0.000 1.115 97 V CA -2.309 59.994 62.300 0.005 0.000 0.998 97 V CB 1.760 33.595 31.823 0.020 0.000 1.042 97 V HN 0.594 nan 8.190 nan 0.000 0.433 98 P HA 0.357 nan 4.420 nan 0.000 0.269 98 P C -0.844 176.405 177.300 -0.085 0.000 1.215 98 P CA 0.052 63.120 63.100 -0.054 0.000 0.780 98 P CB 1.596 33.268 31.700 -0.047 0.000 0.898 99 V N 0.933 120.754 119.914 -0.155 0.000 3.048 99 V HA 0.779 4.900 4.120 0.002 0.000 0.303 99 V C 0.184 175.956 176.094 -0.536 0.000 1.214 99 V CA 0.388 62.526 62.300 -0.268 0.000 0.984 99 V CB 1.950 33.679 31.823 -0.158 0.000 1.054 99 V HN 1.118 nan 8.190 nan 0.000 0.430 100 G N 2.889 111.097 108.800 -0.985 0.000 2.354 100 G HA2 0.009 3.970 3.960 0.002 0.000 0.582 100 G HA3 0.009 3.970 3.960 0.002 0.000 0.582 100 G C -0.025 174.426 174.900 -0.748 0.000 1.316 100 G CA -0.029 44.240 45.100 -1.385 0.000 0.995 100 G HN 0.655 nan 8.290 nan 0.000 0.573 101 E N 0.378 120.287 120.200 -0.485 0.000 2.409 101 E HA -0.099 4.252 4.350 0.002 0.000 0.198 101 E C 1.945 178.513 176.600 -0.054 0.000 1.024 101 E CA 1.183 57.517 56.400 -0.110 0.000 0.861 101 E CB 0.047 29.742 29.700 -0.008 0.000 0.788 101 E HN 0.676 nan 8.360 nan 0.000 0.521 102 E N 0.977 121.110 120.200 -0.112 0.000 2.418 102 E HA -0.128 4.223 4.350 0.002 0.000 0.197 102 E C 1.854 178.430 176.600 -0.040 0.000 1.026 102 E CA 0.510 56.873 56.400 -0.061 0.000 0.862 102 E CB -0.224 29.431 29.700 -0.075 0.000 0.799 102 E HN 0.345 nan 8.360 nan 0.000 0.518 103 L N 0.642 121.837 121.223 -0.046 0.000 2.418 103 L HA 0.106 4.447 4.340 0.002 0.000 0.218 103 L C 1.219 178.116 176.870 0.045 0.000 1.125 103 L CA 0.013 54.851 54.840 -0.004 0.000 0.835 103 L CB -0.128 41.925 42.059 -0.010 0.000 0.953 103 L HN 0.011 nan 8.230 nan 0.000 0.454 104 L N 0.438 121.706 121.223 0.076 0.000 2.525 104 L HA 0.086 4.427 4.340 0.002 0.000 0.278 104 L C 1.448 178.354 176.870 0.060 0.000 1.218 104 L CA 0.734 55.639 54.840 0.109 0.000 0.878 104 L CB -0.031 42.129 42.059 0.169 0.000 1.127 104 L HN 0.369 nan 8.230 nan 0.000 0.492 105 G N 1.781 110.601 108.800 0.034 0.000 2.184 105 G HA2 -0.225 3.736 3.960 0.002 0.000 0.264 105 G HA3 -0.225 3.736 3.960 0.002 0.000 0.264 105 G C 0.286 175.186 174.900 0.000 0.000 0.975 105 G CA -0.264 44.835 45.100 -0.001 0.000 0.642 105 G HN 0.488 nan 8.290 nan 0.000 0.536 106 R N -0.291 120.218 120.500 0.015 0.000 2.604 106 R HA 0.663 5.004 4.340 0.002 0.000 0.287 106 R C -0.235 176.078 176.300 0.022 0.000 0.970 106 R CA -0.785 55.323 56.100 0.014 0.000 0.946 106 R CB 1.767 32.076 30.300 0.015 0.000 1.127 106 R HN 0.185 nan 8.270 nan 0.000 0.473 107 V N 3.076 123.002 119.914 0.020 0.000 2.370 107 V HA 0.357 4.478 4.120 0.002 0.000 0.283 107 V C 0.390 176.504 176.094 0.033 0.000 1.023 107 V CA -0.716 61.602 62.300 0.031 0.000 0.857 107 V CB 1.307 33.145 31.823 0.025 0.000 0.985 107 V HN 0.598 nan 8.190 nan 0.000 0.443 108 V N 1.540 121.479 119.914 0.042 0.000 3.113 108 V HA 0.821 4.942 4.120 0.002 0.000 0.316 108 V C -0.258 175.865 176.094 0.048 0.000 1.125 108 V CA -0.846 61.478 62.300 0.040 0.000 1.026 108 V CB 2.102 33.947 31.823 0.036 0.000 1.080 108 V HN 0.778 nan 8.190 nan 0.000 0.444 109 D N 1.659 122.089 120.400 0.050 0.000 2.440 109 D HA 0.457 5.098 4.640 0.002 0.000 0.269 109 D C 1.248 177.587 176.300 0.065 0.000 1.249 109 D CA 0.098 54.133 54.000 0.058 0.000 1.055 109 D CB 0.806 41.644 40.800 0.063 0.000 1.104 109 D HN 0.843 nan 8.370 nan 0.000 0.561 110 A N -0.879 121.986 122.820 0.076 0.000 2.076 110 A HA -0.049 4.272 4.320 0.002 0.000 0.220 110 A C 2.092 179.735 177.584 0.098 0.000 1.160 110 A CA 1.028 53.116 52.037 0.085 0.000 0.653 110 A CB -0.792 18.265 19.000 0.094 0.000 0.801 110 A HN 0.509 nan 8.150 nan 0.000 0.455 111 L N -1.799 119.484 121.223 0.100 0.000 2.667 111 L HA 0.324 4.665 4.340 0.002 0.000 0.232 111 L C 1.495 178.398 176.870 0.054 0.000 1.138 111 L CA 0.429 55.322 54.840 0.088 0.000 0.921 111 L CB 0.147 42.266 42.059 0.100 0.000 1.180 111 L HN 0.497 nan 8.230 nan 0.000 0.487 112 G N -0.224 108.605 108.800 0.049 0.000 2.176 112 G HA2 -0.254 3.707 3.960 0.002 0.000 0.253 112 G HA3 -0.254 3.707 3.960 0.002 0.000 0.253 112 G C 0.120 175.036 174.900 0.026 0.000 0.979 112 G CA -0.341 44.778 45.100 0.031 0.000 0.641 112 G HN 0.382 nan 8.290 nan 0.000 0.530 113 N N 1.307 120.027 118.700 0.034 0.000 2.483 113 N HA 0.459 5.199 4.740 0.002 0.000 0.264 113 N C 0.725 176.251 175.510 0.027 0.000 1.197 113 N CA 0.716 53.783 53.050 0.029 0.000 0.927 113 N CB 1.179 39.688 38.487 0.036 0.000 1.065 113 N HN 0.752 nan 8.380 nan 0.000 0.461 114 A N 2.392 125.224 122.820 0.020 0.000 2.546 114 A HA 0.130 4.451 4.320 0.002 0.000 0.243 114 A C 1.344 178.941 177.584 0.022 0.000 1.063 114 A CA 0.000 52.048 52.037 0.018 0.000 0.757 114 A CB -0.474 18.533 19.000 0.012 0.000 0.991 114 A HN 0.837 nan 8.150 nan 0.000 0.503 115 I N -0.764 119.820 120.570 0.023 0.000 4.225 115 I HA 0.240 4.411 4.170 0.002 0.000 0.327 115 I C 0.325 176.453 176.117 0.018 0.000 1.422 115 I CA 0.068 61.382 61.300 0.024 0.000 1.150 115 I CB 0.474 38.492 38.000 0.031 0.000 1.192 115 I HN 0.459 nan 8.210 nan 0.000 0.440 116 D N 1.288 121.697 120.400 0.014 0.000 2.340 116 D HA 0.141 4.782 4.640 0.002 0.000 0.220 116 D C 1.654 177.957 176.300 0.006 0.000 1.039 116 D CA 0.556 54.561 54.000 0.009 0.000 0.866 116 D CB -0.041 40.762 40.800 0.006 0.000 0.913 116 D HN 0.435 nan 8.370 nan 0.000 0.523 117 G N 0.817 109.621 108.800 0.008 0.000 2.198 117 G HA2 -0.366 3.595 3.960 0.002 0.000 0.260 117 G HA3 -0.366 3.595 3.960 0.002 0.000 0.260 117 G C 0.586 175.488 174.900 0.004 0.000 1.025 117 G CA 0.418 45.521 45.100 0.006 0.000 0.769 117 G HN 0.470 nan 8.290 nan 0.000 0.507 118 K N 0.045 120.448 120.400 0.003 0.000 2.514 118 K HA 0.482 4.803 4.320 0.002 0.000 0.207 118 K C 1.277 177.878 176.600 0.002 0.000 1.035 118 K CA 0.227 56.515 56.287 0.002 0.000 1.113 118 K CB 0.578 33.078 32.500 0.000 0.000 0.846 118 K HN 1.413 nan 8.250 nan 0.000 0.491 119 G N 2.791 111.593 108.800 0.003 0.000 2.728 119 G HA2 -0.186 3.775 3.960 0.002 0.000 0.294 119 G HA3 -0.186 3.775 3.960 0.002 0.000 0.294 119 G C -2.770 172.131 174.900 0.002 0.000 1.342 119 G CA -1.186 43.915 45.100 0.002 0.000 0.866 119 G HN 0.068 nan 8.290 nan 0.000 0.534 120 P HA 0.435 nan 4.420 nan 0.000 0.272 120 P C 0.391 177.687 177.300 -0.006 0.000 1.223 120 P CA -0.381 62.717 63.100 -0.002 0.000 0.784 120 P CB 0.471 32.169 31.700 -0.004 0.000 0.923 121 I N 1.479 122.044 120.570 -0.009 0.000 2.648 121 I HA 0.022 4.193 4.170 0.002 0.000 0.284 121 I C 1.821 177.924 176.117 -0.023 0.000 1.153 121 I CA 0.413 61.703 61.300 -0.017 0.000 1.426 121 I CB -0.142 37.845 38.000 -0.022 0.000 1.381 121 I HN 0.547 nan 8.210 nan 0.000 0.571 122 G N 4.070 112.854 108.800 -0.027 0.000 3.379 122 G HA2 -0.019 3.942 3.960 0.002 0.000 0.253 122 G HA3 -0.019 3.942 3.960 0.002 0.000 0.253 122 G C 0.727 175.602 174.900 -0.042 0.000 1.262 122 G CA -0.135 44.948 45.100 -0.028 0.000 0.959 122 G HN 0.630 nan 8.290 nan 0.000 0.524 123 S N -0.129 115.539 115.700 -0.053 0.000 2.546 123 S HA 0.110 4.581 4.470 0.002 0.000 0.290 123 S C 1.306 175.868 174.600 -0.063 0.000 1.290 123 S CA 0.101 58.255 58.200 -0.077 0.000 1.069 123 S CB 0.651 63.802 63.200 -0.082 0.000 0.846 123 S HN 0.433 nan 8.310 nan 0.000 0.495 124 K N 2.437 122.793 120.400 -0.074 0.000 2.355 124 K HA 0.333 4.654 4.320 0.002 0.000 0.198 124 K C 0.213 176.787 176.600 -0.044 0.000 1.039 124 K CA 0.142 56.401 56.287 -0.048 0.000 1.075 124 K CB 0.765 33.243 32.500 -0.037 0.000 0.870 124 K HN 0.631 nan 8.250 nan 0.000 0.540 125 A N 1.292 124.073 122.820 -0.065 0.000 2.556 125 A HA 0.715 5.036 4.320 0.002 0.000 0.294 125 A C -1.035 176.514 177.584 -0.058 0.000 1.091 125 A CA -0.814 51.196 52.037 -0.046 0.000 0.704 125 A CB 1.485 20.472 19.000 -0.020 0.000 1.300 125 A HN 0.059 nan 8.150 nan 0.000 0.406 126 R N -0.338 120.144 120.500 -0.031 0.000 2.888 126 R HA 0.818 5.159 4.340 0.002 0.000 0.264 126 R C -0.798 175.496 176.300 -0.009 0.000 1.045 126 R CA -0.906 55.177 56.100 -0.027 0.000 0.962 126 R CB 2.571 32.858 30.300 -0.022 0.000 1.210 126 R HN 0.774 nan 8.270 nan 0.000 0.479 127 R N 0.864 121.361 120.500 -0.004 0.000 2.561 127 R HA 0.282 4.623 4.340 0.002 0.000 0.266 127 R C -1.112 175.192 176.300 0.008 0.000 1.091 127 R CA -0.752 55.353 56.100 0.009 0.000 0.927 127 R CB 1.688 32.002 30.300 0.023 0.000 1.240 127 R HN 0.565 nan 8.270 nan 0.000 0.449 128 R N 1.771 122.274 120.500 0.006 0.000 2.640 128 R HA -0.013 4.328 4.340 0.002 0.000 0.270 128 R C 1.539 177.842 176.300 0.005 0.000 1.024 128 R CA 0.366 56.465 56.100 -0.001 0.000 1.085 128 R CB 0.659 30.954 30.300 -0.008 0.000 0.963 128 R HN 0.579 nan 8.270 nan 0.000 0.426 129 V N 0.633 120.546 119.914 -0.001 0.000 2.667 129 V HA 0.083 4.204 4.120 0.002 0.000 0.252 129 V C 0.877 176.950 176.094 -0.034 0.000 1.065 129 V CA 1.504 63.811 62.300 0.011 0.000 1.083 129 V CB -0.162 31.672 31.823 0.019 0.000 0.692 129 V HN 0.723 nan 8.190 nan 0.000 0.468 130 G N 1.226 109.976 108.800 -0.083 0.000 2.655 130 G HA2 0.653 4.614 3.960 0.002 0.000 0.334 130 G HA3 0.653 4.614 3.960 0.002 0.000 0.334 130 G C -0.997 173.864 174.900 -0.066 0.000 1.099 130 G CA -0.394 44.623 45.100 -0.138 0.000 1.075 130 G HN 0.371 nan 8.290 nan 0.000 0.463 131 L N 0.916 122.117 121.223 -0.036 0.000 2.376 131 L HA 0.510 4.851 4.340 0.002 0.000 0.258 131 L C 0.144 177.017 176.870 0.005 0.000 1.013 131 L CA -1.151 53.685 54.840 -0.006 0.000 0.822 131 L CB 2.826 44.892 42.059 0.013 0.000 1.388 131 L HN 0.238 nan 8.230 nan 0.000 0.413 132 K N 1.020 121.429 120.400 0.015 0.000 2.295 132 K HA 0.470 4.791 4.320 0.002 0.000 0.270 132 K C -0.151 176.464 176.600 0.025 0.000 1.011 132 K CA -0.318 55.984 56.287 0.024 0.000 0.953 132 K CB 1.369 33.885 32.500 0.027 0.000 0.956 132 K HN 0.668 nan 8.250 nan 0.000 0.477 133 A N 4.467 127.304 122.820 0.027 0.000 2.425 133 A HA 0.243 4.564 4.320 0.002 0.000 0.242 133 A C -2.125 175.457 177.584 -0.004 0.000 1.077 133 A CA -1.103 50.945 52.037 0.018 0.000 0.781 133 A CB -0.440 18.574 19.000 0.023 0.000 1.020 133 A HN 0.442 nan 8.150 nan 0.000 0.494 134 P HA 0.199 nan 4.420 nan 0.000 0.265 134 P C 0.722 177.980 177.300 -0.071 0.000 1.193 134 P CA 0.600 63.653 63.100 -0.079 0.000 0.765 134 P CB 0.468 32.092 31.700 -0.126 0.000 0.823 135 G N 1.419 110.171 108.800 -0.081 0.000 2.525 135 G HA2 0.054 4.015 3.960 0.002 0.000 0.276 135 G HA3 0.054 4.015 3.960 0.002 0.000 0.276 135 G C 0.999 175.856 174.900 -0.072 0.000 1.388 135 G CA -0.470 44.596 45.100 -0.057 0.000 1.050 135 G HN 0.423 nan 8.290 nan 0.000 0.520 136 I N -0.243 120.298 120.570 -0.048 0.000 2.252 136 I HA -0.108 4.063 4.170 0.002 0.000 0.245 136 I C 2.509 178.591 176.117 -0.060 0.000 1.102 136 I CA 0.646 61.921 61.300 -0.042 0.000 1.385 136 I CB 0.020 38.008 38.000 -0.020 0.000 1.064 136 I HN 0.274 nan 8.210 nan 0.000 0.414 137 I N 0.971 121.501 120.570 -0.067 0.000 2.202 137 I HA -0.137 4.034 4.170 0.002 0.000 0.242 137 I C -0.326 175.719 176.117 -0.120 0.000 1.091 137 I CA 1.473 62.735 61.300 -0.063 0.000 1.368 137 I CB -2.921 35.063 38.000 -0.027 0.000 1.058 137 I HN 0.187 nan 8.210 nan 0.000 0.410 138 P HA -0.043 nan 4.420 nan 0.000 0.239 138 P C 0.282 177.397 177.300 -0.309 0.000 1.184 138 P CA 0.805 63.580 63.100 -0.541 0.000 0.760 138 P CB 0.013 31.038 31.700 -1.124 0.000 0.884 139 R N -0.526 119.875 120.500 -0.165 0.000 2.674 139 R HA 0.665 5.006 4.340 0.002 0.000 0.266 139 R C -0.335 175.942 176.300 -0.037 0.000 1.016 139 R CA -0.857 55.189 56.100 -0.089 0.000 1.062 139 R CB 0.990 31.248 30.300 -0.069 0.000 1.142 139 R HN -0.065 nan 8.270 nan 0.000 0.517 140 I N -0.827 119.734 120.570 -0.014 0.000 2.934 140 I HA 0.203 4.374 4.170 0.002 0.000 0.306 140 I C -0.443 175.675 176.117 0.001 0.000 1.110 140 I CA -0.258 61.042 61.300 0.001 0.000 1.019 140 I CB 2.438 40.447 38.000 0.015 0.000 1.227 140 I HN 0.489 nan 8.210 nan 0.000 0.434 141 S N 2.752 118.453 115.700 0.002 0.000 2.642 141 S HA 0.088 4.559 4.470 0.002 0.000 0.308 141 S C -0.280 174.320 174.600 0.001 0.000 1.255 141 S CA -0.312 57.889 58.200 0.001 0.000 1.057 141 S CB 0.020 63.220 63.200 0.001 0.000 0.785 141 S HN 0.373 nan 8.310 nan 0.000 0.500 142 V N 6.302 126.215 119.914 -0.002 0.000 2.485 142 V HA 0.105 4.226 4.120 0.002 0.000 0.287 142 V C 1.171 177.257 176.094 -0.014 0.000 1.022 142 V CA 0.844 63.140 62.300 -0.006 0.000 1.067 142 V CB 0.548 32.367 31.823 -0.007 0.000 0.967 142 V HN 0.877 nan 8.190 nan 0.000 0.479 143 R N 1.914 122.401 120.500 -0.022 0.000 2.663 143 R HA 0.203 4.544 4.340 0.002 0.000 0.199 143 R C 0.088 176.357 176.300 -0.052 0.000 0.870 143 R CA -0.279 55.804 56.100 -0.029 0.000 1.040 143 R CB 0.568 30.855 30.300 -0.021 0.000 1.524 143 R HN 0.681 nan 8.270 nan 0.000 0.643 144 E N 2.905 123.061 120.200 -0.073 0.000 2.289 144 E HA 0.166 4.517 4.350 0.002 0.000 0.278 144 E C -2.512 174.008 176.600 -0.133 0.000 1.032 144 E CA -2.101 54.226 56.400 -0.123 0.000 0.854 144 E CB 0.808 30.398 29.700 -0.183 0.000 1.046 144 E HN -0.079 nan 8.360 nan 0.000 0.409 145 P HA -0.049 nan 4.420 nan 0.000 0.268 145 P C -0.643 176.552 177.300 -0.175 0.000 1.204 145 P CA 0.166 63.186 63.100 -0.133 0.000 0.768 145 P CB 0.435 32.059 31.700 -0.128 0.000 0.842 146 M N 3.828 123.355 119.600 -0.123 0.000 2.060 146 M HA 0.137 4.618 4.480 0.002 0.000 0.342 146 M C -0.669 175.594 176.300 -0.062 0.000 1.031 146 M CA -0.437 54.794 55.300 -0.114 0.000 0.981 146 M CB 0.314 32.866 32.600 -0.079 0.000 1.376 146 M HN 0.305 nan 8.290 nan 0.000 0.397 147 Q N 2.615 122.385 119.800 -0.050 0.000 2.307 147 Q HA 0.158 4.499 4.340 0.002 0.000 0.259 147 Q C 1.319 177.367 176.000 0.079 0.000 0.998 147 Q CA 0.113 55.940 55.803 0.040 0.000 0.923 147 Q CB 0.742 29.558 28.738 0.129 0.000 1.196 147 Q HN 0.757 nan 8.270 nan 0.000 0.416 148 T N -1.157 113.424 114.554 0.046 0.000 2.985 148 T HA 0.035 4.386 4.350 0.002 0.000 0.266 148 T C 1.326 176.051 174.700 0.043 0.000 1.076 148 T CA 0.808 62.933 62.100 0.040 0.000 1.135 148 T CB 0.038 68.918 68.868 0.021 0.000 0.890 148 T HN 0.825 nan 8.240 nan 0.000 0.480 149 G N 1.450 110.277 108.800 0.045 0.000 2.179 149 G HA2 -0.213 3.748 3.960 0.002 0.000 0.260 149 G HA3 -0.213 3.748 3.960 0.002 0.000 0.260 149 G C 0.061 174.970 174.900 0.015 0.000 0.977 149 G CA 0.160 45.277 45.100 0.028 0.000 0.641 149 G HN 0.688 nan 8.290 nan 0.000 0.533 150 I N 1.026 121.604 120.570 0.014 0.000 2.304 150 I HA 0.266 4.437 4.170 0.002 0.000 0.291 150 I C 1.594 177.718 176.117 0.011 0.000 1.018 150 I CA -0.697 60.607 61.300 0.007 0.000 1.260 150 I CB 1.303 39.305 38.000 0.003 0.000 1.390 150 I HN -0.019 nan 8.210 nan 0.000 0.475 151 K N 4.406 124.812 120.400 0.011 0.000 2.020 151 K HA -0.242 4.079 4.320 0.002 0.000 0.212 151 K C 2.139 178.749 176.600 0.015 0.000 1.050 151 K CA 1.951 58.247 56.287 0.016 0.000 0.929 151 K CB -0.198 32.312 32.500 0.017 0.000 0.714 151 K HN 0.817 nan 8.250 nan 0.000 0.443 152 A N 0.883 123.711 122.820 0.013 0.000 1.917 152 A HA -0.166 4.155 4.320 0.002 0.000 0.219 152 A C 2.380 179.975 177.584 0.018 0.000 1.182 152 A CA 1.803 53.849 52.037 0.016 0.000 0.633 152 A CB -0.671 18.338 19.000 0.016 0.000 0.819 152 A HN 0.107 nan 8.150 nan 0.000 0.448 153 V N 0.149 120.071 119.914 0.014 0.000 2.273 153 V HA -0.165 3.956 4.120 0.002 0.000 0.242 153 V C 2.157 178.258 176.094 0.011 0.000 1.035 153 V CA 2.080 64.387 62.300 0.012 0.000 1.013 153 V CB -0.835 30.992 31.823 0.007 0.000 0.652 153 V HN 0.460 nan 8.190 nan 0.000 0.452 154 D N 0.511 120.919 120.400 0.013 0.000 2.182 154 D HA -0.134 4.507 4.640 0.002 0.000 0.201 154 D C 2.396 178.703 176.300 0.012 0.000 0.986 154 D CA 1.786 55.794 54.000 0.012 0.000 0.847 154 D CB -0.171 40.640 40.800 0.019 0.000 0.942 154 D HN 0.599 nan 8.370 nan 0.000 0.467 155 S N -0.398 115.312 115.700 0.016 0.000 2.341 155 S HA 0.012 4.483 4.470 0.002 0.000 0.216 155 S C 1.939 176.549 174.600 0.016 0.000 1.034 155 S CA 0.393 58.603 58.200 0.017 0.000 0.964 155 S CB -0.354 62.858 63.200 0.019 0.000 0.882 155 S HN 0.220 nan 8.310 nan 0.000 0.469 156 L N 0.983 122.217 121.223 0.018 0.000 2.664 156 L HA 0.403 4.744 4.340 0.002 0.000 0.233 156 L C -0.278 176.607 176.870 0.024 0.000 1.113 156 L CA -0.061 54.792 54.840 0.022 0.000 0.896 156 L CB 1.023 43.098 42.059 0.026 0.000 1.163 156 L HN 0.202 nan 8.230 nan 0.000 0.497 157 V N -0.035 119.891 119.914 0.019 0.000 2.656 157 V HA 0.230 4.351 4.120 0.002 0.000 0.312 157 V C -2.469 173.628 176.094 0.005 0.000 1.181 157 V CA -1.082 61.228 62.300 0.016 0.000 1.250 157 V CB 0.178 32.012 31.823 0.019 0.000 1.468 157 V HN -0.006 nan 8.190 nan 0.000 0.651 158 P HA 0.319 nan 4.420 nan 0.000 0.271 158 P C -0.422 176.871 177.300 -0.012 0.000 1.216 158 P CA 0.324 63.422 63.100 -0.004 0.000 0.776 158 P CB 1.628 33.326 31.700 -0.004 0.000 0.881 159 I N 1.788 122.347 120.570 -0.019 0.000 2.404 159 I HA 0.482 4.653 4.170 0.002 0.000 0.293 159 I C 1.000 177.095 176.117 -0.037 0.000 0.992 159 I CA -0.551 60.734 61.300 -0.025 0.000 1.149 159 I CB 2.047 40.032 38.000 -0.025 0.000 1.315 159 I HN 0.335 nan 8.210 nan 0.000 0.446 160 G N 4.448 113.227 108.800 -0.036 0.000 2.441 160 G HA2 0.522 4.483 3.960 0.002 0.000 0.334 160 G HA3 0.522 4.483 3.960 0.002 0.000 0.334 160 G C -0.528 174.344 174.900 -0.045 0.000 1.161 160 G CA -0.840 44.232 45.100 -0.047 0.000 0.935 160 G HN 0.534 nan 8.290 nan 0.000 0.488 161 R N 0.069 120.531 120.500 -0.063 0.000 2.404 161 R HA 0.374 4.715 4.340 0.002 0.000 0.315 161 R C 1.219 177.522 176.300 0.006 0.000 1.032 161 R CA 1.311 57.386 56.100 -0.041 0.000 0.992 161 R CB 0.495 30.737 30.300 -0.096 0.000 0.959 161 R HN 1.084 nan 8.270 nan 0.000 0.428 162 G N 1.912 110.724 108.800 0.020 0.000 2.201 162 G HA2 -0.283 3.678 3.960 0.002 0.000 0.212 162 G HA3 -0.283 3.678 3.960 0.002 0.000 0.212 162 G C 0.180 175.086 174.900 0.010 0.000 0.994 162 G CA -0.140 44.975 45.100 0.025 0.000 0.644 162 G HN 0.579 nan 8.290 nan 0.000 0.508 163 Q N 0.207 120.006 119.800 -0.001 0.000 2.368 163 Q HA 0.632 4.973 4.340 0.002 0.000 0.237 163 Q C -0.084 175.911 176.000 -0.007 0.000 0.987 163 Q CA -0.275 55.524 55.803 -0.006 0.000 0.896 163 Q CB 0.364 29.094 28.738 -0.014 0.000 1.241 163 Q HN 0.318 nan 8.270 nan 0.000 0.485 164 R N 2.159 122.654 120.500 -0.009 0.000 2.337 164 R HA 0.325 4.666 4.340 0.002 0.000 0.319 164 R C -1.430 174.853 176.300 -0.030 0.000 0.954 164 R CA -0.530 55.561 56.100 -0.015 0.000 0.840 164 R CB 1.560 31.854 30.300 -0.010 0.000 1.164 164 R HN 0.448 nan 8.270 nan 0.000 0.472 165 E N 2.728 122.904 120.200 -0.041 0.000 2.216 165 E HA 0.305 4.656 4.350 0.002 0.000 0.260 165 E C -1.507 175.045 176.600 -0.080 0.000 0.880 165 E CA -0.912 55.453 56.400 -0.058 0.000 0.765 165 E CB 1.018 30.689 29.700 -0.048 0.000 1.174 165 E HN 0.369 nan 8.360 nan 0.000 0.417 166 L N 5.418 126.572 121.223 -0.115 0.000 2.349 166 L HA 0.511 4.852 4.340 0.002 0.000 0.275 166 L C -0.929 175.838 176.870 -0.172 0.000 1.115 166 L CA -0.014 54.740 54.840 -0.144 0.000 0.820 166 L CB 0.634 42.587 42.059 -0.177 0.000 1.135 166 L HN 0.650 nan 8.230 nan 0.000 0.445 167 I N 6.843 127.333 120.570 -0.133 0.000 2.330 167 I HA 0.426 4.597 4.170 0.002 0.000 0.289 167 I C -0.396 175.649 176.117 -0.121 0.000 1.001 167 I CA -0.241 60.987 61.300 -0.120 0.000 1.193 167 I CB 1.255 39.218 38.000 -0.062 0.000 1.345 167 I HN 0.568 nan 8.210 nan 0.000 0.461 168 I N 5.255 125.735 120.570 -0.150 0.000 2.619 168 I HA 0.887 5.058 4.170 0.002 0.000 0.292 168 I C -0.440 175.676 176.117 -0.003 0.000 1.100 168 I CA 0.023 61.261 61.300 -0.102 0.000 1.043 168 I CB 2.088 39.977 38.000 -0.184 0.000 1.239 168 I HN 0.714 nan 8.210 nan 0.000 0.420 169 G N 4.791 113.613 108.800 0.036 0.000 2.316 169 G HA2 0.169 4.130 3.960 0.002 0.000 0.296 169 G HA3 0.169 4.130 3.960 0.002 0.000 0.296 169 G C -1.908 173.017 174.900 0.042 0.000 1.399 169 G CA -0.831 44.311 45.100 0.070 0.000 0.833 169 G HN 0.521 nan 8.290 nan 0.000 0.565 170 D N 0.307 120.732 120.400 0.041 0.000 2.354 170 D HA 0.307 4.948 4.640 0.002 0.000 0.238 170 D C 1.360 177.660 176.300 -0.000 0.000 1.250 170 D CA 0.082 54.097 54.000 0.026 0.000 0.911 170 D CB 0.371 41.188 40.800 0.029 0.000 1.163 170 D HN 0.704 nan 8.370 nan 0.000 0.456 171 R N 0.240 120.741 120.500 0.001 0.000 2.619 171 R HA -0.040 4.300 4.340 0.002 0.000 0.268 171 R C -0.156 176.109 176.300 -0.058 0.000 0.990 171 R CA 0.113 56.204 56.100 -0.015 0.000 1.092 171 R CB -0.279 30.021 30.300 0.000 0.000 0.935 171 R HN 0.396 nan 8.270 nan 0.000 0.415 172 Q N -0.369 119.382 119.800 -0.082 0.000 2.502 172 Q HA -0.178 4.163 4.340 0.002 0.000 0.273 172 Q C 0.004 175.801 176.000 -0.338 0.000 1.127 172 Q CA 1.331 57.037 55.803 -0.162 0.000 0.952 172 Q CB -1.813 26.850 28.738 -0.124 0.000 1.333 172 Q HN 1.003 nan 8.270 nan 0.000 0.494 173 T N -5.098 109.309 114.554 -0.245 0.000 3.023 173 T HA 0.466 4.817 4.350 0.002 0.000 0.253 173 T C 1.200 175.816 174.700 -0.140 0.000 1.038 173 T CA 0.508 62.445 62.100 -0.273 0.000 0.962 173 T CB 1.216 70.027 68.868 -0.096 0.000 1.018 173 T HN 0.915 nan 8.240 nan 0.000 0.521 174 G N 1.612 110.357 108.800 -0.093 0.000 2.148 174 G HA2 -0.179 3.782 3.960 0.002 0.000 0.157 174 G HA3 -0.179 3.782 3.960 0.002 0.000 0.157 174 G C 0.667 175.575 174.900 0.012 0.000 1.012 174 G CA 0.089 45.193 45.100 0.006 0.000 0.677 174 G HN 0.461 nan 8.290 nan 0.000 0.506 175 K N -0.194 120.207 120.400 0.001 0.000 2.001 175 K HA -0.019 4.302 4.320 0.002 0.000 0.208 175 K C 2.489 179.108 176.600 0.032 0.000 1.048 175 K CA 1.753 58.046 56.287 0.011 0.000 0.932 175 K CB -0.351 32.150 32.500 0.002 0.000 0.715 175 K HN 0.226 nan 8.250 nan 0.000 0.437 176 T N 1.265 115.850 114.554 0.051 0.000 2.803 176 T HA -0.114 4.237 4.350 0.002 0.000 0.269 176 T C 2.051 176.792 174.700 0.067 0.000 1.052 176 T CA 1.534 63.691 62.100 0.095 0.000 1.136 176 T CB -0.179 68.756 68.868 0.113 0.000 0.864 176 T HN 0.160 nan 8.240 nan 0.000 0.467 177 S N 1.040 116.760 115.700 0.034 0.000 2.383 177 S HA -0.021 4.450 4.470 0.002 0.000 0.227 177 S C 2.013 176.614 174.600 0.001 0.000 1.026 177 S CA 0.558 58.760 58.200 0.003 0.000 0.981 177 S CB -0.291 62.882 63.200 -0.044 0.000 0.818 177 S HN 0.339 nan 8.310 nan 0.000 0.472 178 I N 2.246 122.823 120.570 0.011 0.000 2.118 178 I HA -0.224 3.947 4.170 0.002 0.000 0.241 178 I C 2.731 178.863 176.117 0.026 0.000 1.070 178 I CA 1.561 62.868 61.300 0.011 0.000 1.327 178 I CB -1.793 36.211 38.000 0.008 0.000 1.034 178 I HN 0.255 nan 8.210 nan 0.000 0.405 179 A N 1.006 123.855 122.820 0.047 0.000 1.877 179 A HA -0.156 4.165 4.320 0.002 0.000 0.216 179 A C 2.226 179.852 177.584 0.071 0.000 1.186 179 A CA 1.255 53.336 52.037 0.073 0.000 0.620 179 A CB -0.592 18.490 19.000 0.137 0.000 0.822 179 A HN 0.273 nan 8.150 nan 0.000 0.443 180 I N 0.737 121.338 120.570 0.052 0.000 2.179 180 I HA -0.204 3.967 4.170 0.002 0.000 0.242 180 I C 1.763 177.915 176.117 0.060 0.000 1.088 180 I CA 1.634 62.952 61.300 0.029 0.000 1.357 180 I CB -1.592 36.428 38.000 0.033 0.000 1.051 180 I HN 0.264 nan 8.210 nan 0.000 0.409 181 D N 0.282 120.716 120.400 0.056 0.000 2.178 181 D HA -0.118 4.523 4.640 0.002 0.000 0.201 181 D C 2.206 178.536 176.300 0.050 0.000 0.980 181 D CA 1.282 55.313 54.000 0.052 0.000 0.842 181 D CB -0.137 40.669 40.800 0.011 0.000 0.948 181 D HN 0.263 nan 8.370 nan 0.000 0.472 182 T N 0.593 115.176 114.554 0.048 0.000 2.708 182 T HA -0.068 4.283 4.350 0.002 0.000 0.266 182 T C 2.190 176.936 174.700 0.077 0.000 1.037 182 T CA 0.586 62.718 62.100 0.053 0.000 1.146 182 T CB -0.167 68.726 68.868 0.041 0.000 0.865 182 T HN 0.154 nan 8.240 nan 0.000 0.435 183 I N 0.640 121.265 120.570 0.092 0.000 2.179 183 I HA -0.138 4.033 4.170 0.002 0.000 0.242 183 I C 2.258 178.497 176.117 0.203 0.000 1.088 183 I CA 1.324 62.713 61.300 0.148 0.000 1.357 183 I CB -0.406 37.658 38.000 0.107 0.000 1.051 183 I HN 0.203 nan 8.210 nan 0.000 0.409 184 I N 0.819 121.464 120.570 0.124 0.000 2.264 184 I HA -0.336 3.835 4.170 0.002 0.000 0.248 184 I C 2.227 178.400 176.117 0.093 0.000 1.111 184 I CA 1.527 62.897 61.300 0.117 0.000 1.382 184 I CB -0.557 37.488 38.000 0.076 0.000 1.060 184 I HN 0.329 nan 8.210 nan 0.000 0.418 185 N N 0.521 119.250 118.700 0.048 0.000 2.289 185 N HA -0.197 4.544 4.740 0.002 0.000 0.184 185 N C 1.789 177.215 175.510 -0.140 0.000 1.016 185 N CA 1.078 54.107 53.050 -0.035 0.000 0.872 185 N CB 0.062 38.556 38.487 0.011 0.000 0.973 185 N HN 0.249 nan 8.380 nan 0.000 0.433 186 Q N 0.298 120.061 119.800 -0.062 0.000 2.369 186 Q HA -0.084 4.257 4.340 0.002 0.000 0.206 186 Q C 1.657 177.399 176.000 -0.429 0.000 0.963 186 Q CA 0.564 56.271 55.803 -0.161 0.000 0.894 186 Q CB -0.200 28.409 28.738 -0.215 0.000 0.965 186 Q HN 0.511 nan 8.270 nan 0.000 0.475 187 K N 1.670 121.888 120.400 -0.303 0.000 2.113 187 K HA -0.201 4.120 4.320 0.002 0.000 0.208 187 K C 2.040 178.471 176.600 -0.282 0.000 1.047 187 K CA 1.485 57.654 56.287 -0.196 0.000 0.928 187 K CB 0.005 32.545 32.500 0.067 0.000 0.716 187 K HN 0.227 nan 8.250 nan 0.000 0.446 188 R N -0.383 119.850 120.500 -0.445 0.000 2.159 188 R HA -0.149 4.192 4.340 0.002 0.000 0.237 188 R C 1.706 177.703 176.300 -0.505 0.000 1.131 188 R CA 1.676 57.463 56.100 -0.522 0.000 0.982 188 R CB -0.535 29.355 30.300 -0.684 0.000 0.868 188 R HN 0.233 nan 8.270 nan 0.000 0.453 189 F N 1.161 121.010 119.950 -0.168 0.000 2.317 189 F HA 0.191 4.719 4.527 0.002 0.000 0.290 189 F C 1.932 177.609 175.800 -0.206 0.000 1.075 189 F CA -0.153 57.741 58.000 -0.176 0.000 1.380 189 F CB -0.288 38.593 39.000 -0.199 0.000 1.093 189 F HN -0.079 nan 8.300 nan 0.000 0.524 190 N N 0.501 119.109 118.700 -0.154 0.000 2.309 190 N HA -0.139 4.602 4.740 0.002 0.000 0.182 190 N C 0.983 176.431 175.510 -0.102 0.000 1.018 190 N CA 1.239 54.152 53.050 -0.228 0.000 0.876 190 N CB -0.470 37.712 38.487 -0.508 0.000 0.972 190 N HN 0.247 nan 8.380 nan 0.000 0.434 191 D N 0.122 120.469 120.400 -0.090 0.000 2.234 191 D HA 0.042 4.683 4.640 0.002 0.000 0.205 191 D C 1.359 177.643 176.300 -0.027 0.000 0.962 191 D CA 0.386 54.362 54.000 -0.041 0.000 0.855 191 D CB -0.321 40.451 40.800 -0.047 0.000 0.951 191 D HN 0.160 nan 8.370 nan 0.000 0.500 192 G N -0.268 108.516 108.800 -0.026 0.000 2.529 192 G HA2 0.198 4.159 3.960 0.002 0.000 0.277 192 G HA3 0.198 4.159 3.960 0.002 0.000 0.277 192 G C 0.995 175.901 174.900 0.010 0.000 1.383 192 G CA 0.647 45.746 45.100 -0.001 0.000 1.050 192 G HN 0.219 nan 8.290 nan 0.000 0.526 193 T N -3.311 111.252 114.554 0.015 0.000 3.010 193 T HA 0.140 4.491 4.350 0.002 0.000 0.257 193 T C 0.265 174.977 174.700 0.019 0.000 1.020 193 T CA 0.156 62.265 62.100 0.016 0.000 0.938 193 T CB 0.429 69.304 68.868 0.012 0.000 1.049 193 T HN 0.304 nan 8.240 nan 0.000 0.522 194 D N 2.056 122.468 120.400 0.020 0.000 2.365 194 D HA 0.181 4.822 4.640 0.002 0.000 0.237 194 D C 1.018 177.324 176.300 0.011 0.000 1.190 194 D CA -0.254 53.753 54.000 0.012 0.000 0.867 194 D CB 1.036 41.837 40.800 0.002 0.000 1.050 194 D HN 0.092 nan 8.370 nan 0.000 0.491 195 E N 2.823 123.037 120.200 0.025 0.000 2.150 195 E HA -0.128 4.223 4.350 0.002 0.000 0.193 195 E C 1.471 178.105 176.600 0.055 0.000 0.985 195 E CA 0.524 56.951 56.400 0.046 0.000 0.814 195 E CB 0.293 30.032 29.700 0.065 0.000 0.752 195 E HN 0.474 nan 8.360 nan 0.000 0.466 196 K N 0.994 121.414 120.400 0.035 0.000 2.063 196 K HA -0.125 4.196 4.320 0.002 0.000 0.208 196 K C 1.888 178.436 176.600 -0.087 0.000 1.048 196 K CA 0.946 57.251 56.287 0.029 0.000 0.928 196 K CB -0.072 32.421 32.500 -0.012 0.000 0.713 196 K HN 0.037 nan 8.250 nan 0.000 0.442 197 K N 0.912 121.229 120.400 -0.138 0.000 2.459 197 K HA 0.013 4.334 4.320 0.002 0.000 0.193 197 K C 0.228 176.658 176.600 -0.283 0.000 1.030 197 K CA 0.232 56.341 56.287 -0.297 0.000 1.026 197 K CB 0.269 32.595 32.500 -0.290 0.000 0.809 197 K HN 0.092 nan 8.250 nan 0.000 0.504 198 K N 1.208 121.521 120.400 -0.145 0.000 2.295 198 K HA 0.148 4.469 4.320 0.002 0.000 0.270 198 K C -0.613 175.823 176.600 -0.274 0.000 1.011 198 K CA -0.230 55.932 56.287 -0.209 0.000 0.953 198 K CB 0.754 33.127 32.500 -0.210 0.000 0.956 198 K HN -0.151 nan 8.250 nan 0.000 0.477 199 L N 3.655 124.611 121.223 -0.445 0.000 2.491 199 L HA 0.277 4.618 4.340 0.002 0.000 0.267 199 L C -1.682 174.892 176.870 -0.493 0.000 0.971 199 L CA -0.385 54.245 54.840 -0.351 0.000 0.857 199 L CB 0.818 42.759 42.059 -0.198 0.000 1.226 199 L HN 0.456 nan 8.230 nan 0.000 0.408 200 Y N 3.170 123.314 120.300 -0.260 0.000 2.319 200 Y HA 0.473 5.023 4.550 0.001 0.000 0.328 200 Y C 0.503 176.295 175.900 -0.180 0.000 1.133 200 Y CA -0.052 57.846 58.100 -0.336 0.000 1.265 200 Y CB 0.969 38.819 38.460 -1.016 0.000 1.218 200 Y HN 0.503 nan 8.280 nan 0.000 0.508 201 C N 4.630 124.013 119.300 0.139 0.000 2.411 201 C HA 0.714 5.175 4.460 0.002 0.000 0.330 201 C C -0.162 174.900 174.990 0.121 0.000 1.224 201 C CA -1.141 57.954 59.018 0.129 0.000 1.770 201 C CB 0.141 27.999 27.740 0.197 0.000 2.297 201 C HN 0.649 nan 8.230 nan 0.000 0.507 202 I N 2.313 122.935 120.570 0.086 0.000 2.478 202 I HA 0.266 4.437 4.170 0.002 0.000 0.287 202 I C -1.112 175.042 176.117 0.062 0.000 1.042 202 I CA -0.403 60.946 61.300 0.081 0.000 1.067 202 I CB 1.145 39.180 38.000 0.058 0.000 1.233 202 I HN 0.618 nan 8.210 nan 0.000 0.431 203 Y N 7.120 127.404 120.300 -0.028 0.000 2.342 203 Y HA 0.608 5.159 4.550 0.002 0.000 0.338 203 Y C -0.757 175.129 175.900 -0.022 0.000 0.965 203 Y CA -0.735 57.340 58.100 -0.041 0.000 1.159 203 Y CB 1.191 39.638 38.460 -0.021 0.000 1.157 203 Y HN 0.261 nan 8.280 nan 0.000 0.486 204 V N 6.383 126.036 119.914 -0.436 0.000 2.364 204 V HA 0.631 4.751 4.120 0.002 0.000 0.272 204 V C 0.078 175.907 176.094 -0.442 0.000 1.036 204 V CA -0.667 61.469 62.300 -0.272 0.000 0.880 204 V CB 0.704 32.483 31.823 -0.073 0.000 0.991 204 V HN 0.914 nan 8.190 nan 0.000 0.460 205 A N 6.681 129.379 122.820 -0.203 0.000 2.260 205 A HA 0.848 5.169 4.320 0.002 0.000 0.308 205 A C -0.668 176.899 177.584 -0.027 0.000 1.254 205 A CA -0.324 51.660 52.037 -0.088 0.000 0.874 205 A CB 0.113 19.183 19.000 0.117 0.000 1.153 205 A HN 0.733 nan 8.150 nan 0.000 0.527 206 I N 1.997 122.550 120.570 -0.029 0.000 2.410 206 I HA 0.567 4.738 4.170 0.002 0.000 0.286 206 I C 1.108 177.237 176.117 0.020 0.000 1.009 206 I CA 0.516 61.816 61.300 0.000 0.000 1.111 206 I CB 1.723 39.717 38.000 -0.010 0.000 1.262 206 I HN 0.995 nan 8.210 nan 0.000 0.443 207 G N 3.596 112.414 108.800 0.031 0.000 2.168 207 G HA2 -0.251 3.710 3.960 0.002 0.000 0.263 207 G HA3 -0.251 3.710 3.960 0.002 0.000 0.263 207 G C 0.341 175.264 174.900 0.038 0.000 0.977 207 G CA -0.113 45.009 45.100 0.036 0.000 0.659 207 G HN 0.594 nan 8.290 nan 0.000 0.533 208 Q N 0.047 119.874 119.800 0.045 0.000 2.396 208 Q HA 0.458 4.799 4.340 0.002 0.000 0.221 208 Q C 0.761 176.789 176.000 0.046 0.000 1.025 208 Q CA 0.101 55.936 55.803 0.053 0.000 0.946 208 Q CB 0.529 29.313 28.738 0.076 0.000 1.224 208 Q HN 0.636 nan 8.270 nan 0.000 0.539 209 K N 0.036 120.462 120.400 0.044 0.000 2.144 209 K HA 0.262 4.583 4.320 0.002 0.000 0.270 209 K C 0.365 176.988 176.600 0.038 0.000 1.005 209 K CA -0.557 55.752 56.287 0.036 0.000 0.932 209 K CB 1.240 33.758 32.500 0.030 0.000 1.021 209 K HN 0.403 nan 8.250 nan 0.000 0.462 210 R N 0.714 121.234 120.500 0.033 0.000 2.103 210 R HA -0.198 4.143 4.340 0.002 0.000 0.242 210 R C 2.233 178.549 176.300 0.027 0.000 1.142 210 R CA 2.425 58.544 56.100 0.032 0.000 0.960 210 R CB -0.425 29.890 30.300 0.026 0.000 0.858 210 R HN 0.951 nan 8.270 nan 0.000 0.439 211 S N -0.589 115.124 115.700 0.023 0.000 2.402 211 S HA -0.102 4.369 4.470 0.002 0.000 0.229 211 S C 1.941 176.551 174.600 0.017 0.000 1.021 211 S CA 1.544 59.754 58.200 0.017 0.000 0.974 211 S CB -0.366 62.843 63.200 0.015 0.000 0.800 211 S HN 0.195 nan 8.310 nan 0.000 0.484 212 T N 2.527 117.097 114.554 0.026 0.000 2.708 212 T HA -0.043 4.308 4.350 0.002 0.000 0.266 212 T C 1.886 176.603 174.700 0.028 0.000 1.037 212 T CA 1.584 63.702 62.100 0.031 0.000 1.146 212 T CB -0.590 68.305 68.868 0.044 0.000 0.865 212 T HN 0.315 nan 8.240 nan 0.000 0.435 213 V N 1.679 121.618 119.914 0.042 0.000 2.407 213 V HA -0.147 3.974 4.120 0.002 0.000 0.248 213 V C 2.842 178.939 176.094 0.004 0.000 1.055 213 V CA 1.580 63.907 62.300 0.045 0.000 1.049 213 V CB -1.207 30.663 31.823 0.077 0.000 0.662 213 V HN 0.516 nan 8.190 nan 0.000 0.455 214 A N -0.872 121.951 122.820 0.004 0.000 1.933 214 A HA -0.219 4.102 4.320 0.002 0.000 0.218 214 A C 2.228 179.796 177.584 -0.028 0.000 1.175 214 A CA 1.460 53.491 52.037 -0.010 0.000 0.628 214 A CB -0.391 18.607 19.000 -0.003 0.000 0.814 214 A HN 0.511 nan 8.150 nan 0.000 0.444 215 Q N -0.700 119.085 119.800 -0.024 0.000 2.079 215 Q HA -0.110 4.231 4.340 0.002 0.000 0.200 215 Q C 2.151 178.113 176.000 -0.063 0.000 0.974 215 Q CA 0.888 56.670 55.803 -0.035 0.000 0.840 215 Q CB -0.588 28.141 28.738 -0.015 0.000 0.898 215 Q HN 0.571 nan 8.270 nan 0.000 0.430 216 L N 0.974 122.154 121.223 -0.071 0.000 1.971 216 L HA -0.154 4.187 4.340 0.002 0.000 0.215 216 L C 2.460 179.240 176.870 -0.150 0.000 1.072 216 L CA 2.113 56.873 54.840 -0.133 0.000 0.758 216 L CB -1.253 40.693 42.059 -0.188 0.000 0.889 216 L HN 0.213 nan 8.230 nan 0.000 0.433 217 V N -0.827 119.017 119.914 -0.116 0.000 2.626 217 V HA -0.218 3.903 4.120 0.002 0.000 0.252 217 V C 2.612 178.645 176.094 -0.102 0.000 1.067 217 V CA 1.997 64.232 62.300 -0.108 0.000 1.081 217 V CB -0.571 31.211 31.823 -0.068 0.000 0.686 217 V HN 0.495 nan 8.190 nan 0.000 0.468 218 K N 1.436 121.781 120.400 -0.091 0.000 2.057 218 K HA -0.169 4.152 4.320 0.002 0.000 0.206 218 K C 2.266 178.793 176.600 -0.121 0.000 1.050 218 K CA 2.096 58.329 56.287 -0.091 0.000 0.935 218 K CB -0.619 31.836 32.500 -0.075 0.000 0.715 218 K HN 0.488 nan 8.250 nan 0.000 0.439 219 R N 0.775 121.188 120.500 -0.145 0.000 2.080 219 R HA -0.012 4.329 4.340 0.002 0.000 0.236 219 R C 2.083 178.279 176.300 -0.173 0.000 1.137 219 R CA 1.964 57.944 56.100 -0.199 0.000 0.943 219 R CB -0.882 29.292 30.300 -0.210 0.000 0.846 219 R HN 0.362 nan 8.270 nan 0.000 0.431 220 L N -0.310 120.821 121.223 -0.154 0.000 2.141 220 L HA -0.101 4.240 4.340 0.002 0.000 0.209 220 L C 2.232 179.011 176.870 -0.151 0.000 1.094 220 L CA 1.702 56.450 54.840 -0.154 0.000 0.763 220 L CB -0.670 41.284 42.059 -0.175 0.000 0.908 220 L HN 0.271 nan 8.230 nan 0.000 0.437 221 T N -0.796 113.680 114.554 -0.130 0.000 2.674 221 T HA -0.171 4.179 4.350 0.002 0.000 0.265 221 T C 1.469 176.110 174.700 -0.099 0.000 1.039 221 T CA 1.542 63.577 62.100 -0.109 0.000 1.150 221 T CB -0.245 68.571 68.868 -0.087 0.000 0.864 221 T HN 0.295 nan 8.240 nan 0.000 0.427 222 D N 1.576 121.914 120.400 -0.104 0.000 2.133 222 D HA -0.061 4.580 4.640 0.002 0.000 0.195 222 D C 2.129 178.373 176.300 -0.092 0.000 0.997 222 D CA 1.299 55.240 54.000 -0.099 0.000 0.840 222 D CB -0.455 40.272 40.800 -0.122 0.000 0.947 222 D HN 0.425 nan 8.370 nan 0.000 0.452 223 A N 0.214 122.971 122.820 -0.104 0.000 2.209 223 A HA -0.079 4.242 4.320 0.002 0.000 0.212 223 A C 0.680 178.228 177.584 -0.060 0.000 1.158 223 A CA 1.028 53.020 52.037 -0.076 0.000 0.742 223 A CB -0.115 18.843 19.000 -0.069 0.000 0.790 223 A HN 0.141 nan 8.150 nan 0.000 0.472 224 D N -3.420 116.932 120.400 -0.081 0.000 2.870 224 D HA -0.202 4.439 4.640 0.002 0.000 0.228 224 D C 0.716 176.940 176.300 -0.126 0.000 1.147 224 D CA 1.110 55.065 54.000 -0.074 0.000 0.757 224 D CB -1.349 39.435 40.800 -0.027 0.000 1.091 224 D HN 0.533 nan 8.370 nan 0.000 0.429 225 A N -0.746 121.926 122.820 -0.247 0.000 2.169 225 A HA 0.139 4.460 4.320 0.002 0.000 0.210 225 A C 2.103 179.179 177.584 -0.848 0.000 1.168 225 A CA 0.526 52.182 52.037 -0.635 0.000 0.813 225 A CB -0.054 18.744 19.000 -0.335 0.000 0.861 225 A HN 0.288 nan 8.150 nan 0.000 0.481 226 M N 1.161 120.514 119.600 -0.412 0.000 2.213 226 M HA -0.163 4.317 4.480 0.002 0.000 0.263 226 M C 2.079 178.229 176.300 -0.250 0.000 1.062 226 M CA 1.923 57.052 55.300 -0.284 0.000 1.105 226 M CB -0.899 31.607 32.600 -0.156 0.000 1.385 226 M HN 0.704 nan 8.290 nan 0.000 0.417 227 K N 0.277 120.542 120.400 -0.225 0.000 2.281 227 K HA -0.191 4.130 4.320 0.002 0.000 0.203 227 K C 0.939 177.571 176.600 0.053 0.000 1.046 227 K CA 1.737 57.991 56.287 -0.056 0.000 0.938 227 K CB -0.694 31.817 32.500 0.018 0.000 0.737 227 K HN 0.522 nan 8.250 nan 0.000 0.458 228 Y N -0.454 119.888 120.300 0.071 0.000 2.660 228 Y HA 0.465 5.016 4.550 0.001 0.000 0.254 228 Y C -0.565 175.399 175.900 0.106 0.000 1.176 228 Y CA -1.084 57.090 58.100 0.123 0.000 1.195 228 Y CB 0.082 38.563 38.460 0.036 0.000 1.190 228 Y HN -0.214 nan 8.280 nan 0.000 0.535 229 T N 2.682 117.224 114.554 -0.020 0.000 2.841 229 T HA 0.598 4.949 4.350 0.002 0.000 0.283 229 T C -0.518 174.216 174.700 0.056 0.000 1.000 229 T CA -0.426 61.686 62.100 0.021 0.000 0.977 229 T CB 1.804 70.612 68.868 -0.101 0.000 0.979 229 T HN 0.145 nan 8.240 nan 0.000 0.446 230 I N 2.371 123.003 120.570 0.103 0.000 2.359 230 I HA 0.438 4.609 4.170 0.002 0.000 0.294 230 I C -0.400 175.777 176.117 0.101 0.000 0.987 230 I CA -1.038 60.321 61.300 0.097 0.000 1.225 230 I CB 1.629 39.703 38.000 0.124 0.000 1.366 230 I HN 0.243 nan 8.210 nan 0.000 0.466 231 V N 7.255 127.222 119.914 0.088 0.000 2.328 231 V HA 0.259 4.380 4.120 0.002 0.000 0.278 231 V C 0.059 176.213 176.094 0.100 0.000 1.021 231 V CA -0.646 61.729 62.300 0.125 0.000 0.838 231 V CB 1.419 33.308 31.823 0.110 0.000 0.999 231 V HN 0.410 nan 8.190 nan 0.000 0.447 232 V N 4.237 124.207 119.914 0.093 0.000 2.383 232 V HA 0.484 4.605 4.120 0.002 0.000 0.275 232 V C 0.343 176.475 176.094 0.063 0.000 1.036 232 V CA -0.005 62.334 62.300 0.066 0.000 0.889 232 V CB 1.522 33.376 31.823 0.052 0.000 0.985 232 V HN 0.824 nan 8.190 nan 0.000 0.459 233 S N 4.037 119.776 115.700 0.065 0.000 2.659 233 S HA 0.767 5.238 4.470 0.002 0.000 0.312 233 S C -0.306 174.325 174.600 0.053 0.000 1.114 233 S CA -0.212 58.027 58.200 0.065 0.000 1.063 233 S CB 1.160 64.408 63.200 0.080 0.000 0.996 233 S HN 1.057 nan 8.310 nan 0.000 0.478 234 A N 4.356 127.202 122.820 0.043 0.000 2.536 234 A HA 0.625 4.946 4.320 0.002 0.000 0.329 234 A C 0.449 178.055 177.584 0.037 0.000 1.321 234 A CA -0.640 51.421 52.037 0.040 0.000 0.804 234 A CB 0.070 19.092 19.000 0.037 0.000 1.126 234 A HN 0.832 nan 8.150 nan 0.000 0.480 235 T N -0.984 113.593 114.554 0.039 0.000 2.814 235 T HA 0.550 4.901 4.350 0.002 0.000 0.284 235 T C 1.523 176.241 174.700 0.030 0.000 0.998 235 T CA 0.057 62.179 62.100 0.038 0.000 0.935 235 T CB 0.993 69.885 68.868 0.040 0.000 1.167 235 T HN 0.999 nan 8.240 nan 0.000 0.545 236 A N 0.475 123.313 122.820 0.029 0.000 2.070 236 A HA 0.004 4.325 4.320 0.002 0.000 0.220 236 A C 2.363 179.958 177.584 0.018 0.000 1.159 236 A CA 1.635 53.687 52.037 0.024 0.000 0.656 236 A CB -1.174 17.841 19.000 0.025 0.000 0.800 236 A HN 1.031 nan 8.150 nan 0.000 0.453 237 S N -0.838 114.873 115.700 0.018 0.000 2.540 237 S HA 0.114 4.585 4.470 0.002 0.000 0.218 237 S C -0.175 174.432 174.600 0.012 0.000 0.977 237 S CA -0.332 57.875 58.200 0.013 0.000 0.918 237 S CB -0.167 63.042 63.200 0.014 0.000 0.806 237 S HN 0.325 nan 8.310 nan 0.000 0.496 238 D N 3.016 123.425 120.400 0.015 0.000 2.399 238 D HA 0.531 5.172 4.640 0.002 0.000 0.241 238 D C 0.402 176.697 176.300 -0.008 0.000 1.133 238 D CA 0.285 54.292 54.000 0.011 0.000 0.890 238 D CB 1.171 41.983 40.800 0.019 0.000 1.201 238 D HN 0.465 nan 8.370 nan 0.000 0.432 239 A N 1.513 124.316 122.820 -0.028 0.000 2.425 239 A HA 0.416 4.737 4.320 0.002 0.000 0.242 239 A C 1.427 178.958 177.584 -0.089 0.000 1.077 239 A CA 0.309 52.309 52.037 -0.061 0.000 0.781 239 A CB 0.302 19.254 19.000 -0.080 0.000 1.020 239 A HN 0.610 nan 8.150 nan 0.000 0.494 240 A N 2.469 125.242 122.820 -0.078 0.000 1.917 240 A HA -0.084 4.237 4.320 0.002 0.000 0.219 240 A C -0.170 177.378 177.584 -0.060 0.000 1.182 240 A CA 2.171 54.178 52.037 -0.051 0.000 0.633 240 A CB -1.749 17.222 19.000 -0.047 0.000 0.819 240 A HN 0.639 nan 8.150 nan 0.000 0.448 241 P HA -0.123 nan 4.420 nan 0.000 0.218 241 P C 1.389 178.576 177.300 -0.188 0.000 1.148 241 P CA 0.860 63.812 63.100 -0.247 0.000 0.822 241 P CB -0.147 31.052 31.700 -0.834 0.000 0.784 242 L N -0.951 120.104 121.223 -0.280 0.000 2.072 242 L HA -0.149 4.192 4.340 0.002 0.000 0.205 242 L C 2.699 179.585 176.870 0.026 0.000 1.079 242 L CA 1.458 56.245 54.840 -0.087 0.000 0.752 242 L CB -0.937 41.095 42.059 -0.045 0.000 0.906 242 L HN -0.042 nan 8.230 nan 0.000 0.436 243 Q N -1.101 118.719 119.800 0.033 0.000 2.170 243 Q HA -0.258 4.083 4.340 0.002 0.000 0.203 243 Q C 2.085 178.154 176.000 0.115 0.000 0.976 243 Q CA 1.815 57.656 55.803 0.063 0.000 0.858 243 Q CB -0.273 28.501 28.738 0.060 0.000 0.907 243 Q HN 0.513 nan 8.270 nan 0.000 0.433 244 Y N 0.961 121.278 120.300 0.028 0.000 2.181 244 Y HA -0.167 4.385 4.550 0.004 0.000 0.288 244 Y C 1.647 177.643 175.900 0.161 0.000 1.146 244 Y CA 1.266 59.417 58.100 0.087 0.000 1.164 244 Y CB -0.167 38.363 38.460 0.116 0.000 0.982 244 Y HN -0.013 nan 8.280 nan 0.000 0.515 245 L N -0.245 120.951 121.223 -0.045 0.000 2.179 245 L HA -0.028 4.313 4.340 0.002 0.000 0.208 245 L C 2.790 179.686 176.870 0.043 0.000 1.096 245 L CA 0.729 55.545 54.840 -0.040 0.000 0.779 245 L CB -0.873 41.230 42.059 0.074 0.000 0.922 245 L HN 0.336 nan 8.230 nan 0.000 0.443 246 A N 1.047 123.877 122.820 0.016 0.000 1.892 246 A HA -0.165 4.156 4.320 0.002 0.000 0.218 246 A C -0.083 177.490 177.584 -0.018 0.000 1.188 246 A CA 1.859 53.906 52.037 0.016 0.000 0.631 246 A CB -1.817 17.194 19.000 0.018 0.000 0.822 246 A HN 0.261 nan 8.150 nan 0.000 0.447 247 P HA -0.173 nan 4.420 nan 0.000 0.216 247 P C 0.918 178.087 177.300 -0.218 0.000 1.153 247 P CA 1.413 64.370 63.100 -0.238 0.000 0.858 247 P CB -0.242 31.029 31.700 -0.716 0.000 0.789 248 Y N -0.646 119.578 120.300 -0.127 0.000 2.242 248 Y HA -0.122 4.429 4.550 0.002 0.000 0.291 248 Y C 2.632 178.519 175.900 -0.022 0.000 1.137 248 Y CA 1.183 59.222 58.100 -0.103 0.000 1.181 248 Y CB -1.163 37.183 38.460 -0.189 0.000 0.989 248 Y HN -0.082 nan 8.280 nan 0.000 0.527 249 S N 0.005 115.784 115.700 0.131 0.000 2.348 249 S HA -0.193 4.278 4.470 0.002 0.000 0.221 249 S C 2.437 177.094 174.600 0.094 0.000 1.033 249 S CA 1.345 59.602 58.200 0.096 0.000 1.010 249 S CB -1.093 62.155 63.200 0.079 0.000 0.891 249 S HN 0.663 nan 8.310 nan 0.000 0.442 250 G N 0.128 108.988 108.800 0.099 0.000 2.440 250 G HA2 -0.281 3.680 3.960 0.002 0.000 0.218 250 G HA3 -0.281 3.680 3.960 0.002 0.000 0.218 250 G C 1.744 176.721 174.900 0.127 0.000 1.154 250 G CA 1.100 46.261 45.100 0.101 0.000 0.767 250 G HN 0.592 nan 8.290 nan 0.000 0.552 251 C N 0.530 119.935 119.300 0.175 0.000 2.413 251 C HA -0.030 4.431 4.460 0.002 0.000 0.276 251 C C 3.258 178.333 174.990 0.142 0.000 1.248 251 C CA 1.769 60.898 59.018 0.184 0.000 1.742 251 C CB -0.980 26.881 27.740 0.201 0.000 2.017 251 C HN 0.354 nan 8.230 nan 0.000 0.481 252 S N 0.498 116.270 115.700 0.121 0.000 2.382 252 S HA -0.144 4.327 4.470 0.002 0.000 0.228 252 S C 1.722 176.379 174.600 0.094 0.000 1.027 252 S CA 2.017 60.274 58.200 0.095 0.000 0.991 252 S CB -0.365 62.878 63.200 0.071 0.000 0.823 252 S HN 0.675 nan 8.310 nan 0.000 0.469 253 M N 0.789 120.445 119.600 0.093 0.000 2.213 253 M HA -0.032 4.448 4.480 0.002 0.000 0.263 253 M C 2.372 178.786 176.300 0.189 0.000 1.062 253 M CA 1.380 56.729 55.300 0.081 0.000 1.105 253 M CB -0.655 31.994 32.600 0.081 0.000 1.385 253 M HN 0.427 nan 8.290 nan 0.000 0.417 254 G N -0.000 108.943 108.800 0.238 0.000 2.421 254 G HA2 -0.132 3.829 3.960 0.002 0.000 0.217 254 G HA3 -0.132 3.829 3.960 0.002 0.000 0.217 254 G C 1.345 176.424 174.900 0.298 0.000 1.143 254 G CA 0.349 45.657 45.100 0.347 0.000 0.784 254 G HN 0.476 nan 8.290 nan 0.000 0.541 255 E N -0.562 119.747 120.200 0.181 0.000 2.150 255 E HA -0.121 4.230 4.350 0.002 0.000 0.193 255 E C 1.892 178.539 176.600 0.078 0.000 0.985 255 E CA 0.504 56.977 56.400 0.121 0.000 0.814 255 E CB -0.242 29.512 29.700 0.091 0.000 0.752 255 E HN 0.596 nan 8.360 nan 0.000 0.466 256 Y N 0.663 120.911 120.300 -0.087 0.000 2.139 256 Y HA -0.330 4.221 4.550 0.001 0.000 0.282 256 Y C 1.665 177.406 175.900 -0.266 0.000 1.179 256 Y CA 1.810 59.767 58.100 -0.238 0.000 1.161 256 Y CB -0.352 37.849 38.460 -0.431 0.000 0.970 256 Y HN -0.039 nan 8.280 nan 0.000 0.511 257 F N -0.145 119.823 119.950 0.030 0.000 2.128 257 F HA -0.082 4.446 4.527 0.001 0.000 0.295 257 F C 2.796 178.523 175.800 -0.122 0.000 1.100 257 F CA 1.572 59.527 58.000 -0.075 0.000 1.260 257 F CB -0.676 38.382 39.000 0.095 0.000 1.009 257 F HN -0.132 nan 8.300 nan 0.000 0.476 258 R N 0.718 121.299 120.500 0.136 0.000 2.096 258 R HA -0.204 4.137 4.340 0.002 0.000 0.240 258 R C 1.175 177.463 176.300 -0.020 0.000 1.139 258 R CA 2.266 58.393 56.100 0.045 0.000 0.952 258 R CB -0.452 29.892 30.300 0.073 0.000 0.854 258 R HN 0.180 nan 8.270 nan 0.000 0.436 259 D N -0.275 120.095 120.400 -0.049 0.000 2.355 259 D HA 0.006 4.646 4.640 0.002 0.000 0.218 259 D C 0.027 176.254 176.300 -0.122 0.000 1.004 259 D CA 0.563 54.534 54.000 -0.048 0.000 0.880 259 D CB 0.119 40.901 40.800 -0.030 0.000 0.911 259 D HN 0.221 nan 8.370 nan 0.000 0.528 260 N N -0.080 118.491 118.700 -0.214 0.000 2.541 260 N HA 0.201 4.942 4.740 0.002 0.000 0.297 260 N C 0.726 176.143 175.510 -0.155 0.000 1.503 260 N CA 0.023 52.932 53.050 -0.236 0.000 0.919 260 N CB 1.411 39.636 38.487 -0.437 0.000 1.305 260 N HN 0.044 nan 8.380 nan 0.000 0.501 261 G N 1.027 109.756 108.800 -0.119 0.000 2.166 261 G HA2 -0.319 3.642 3.960 0.002 0.000 0.260 261 G HA3 -0.319 3.642 3.960 0.002 0.000 0.260 261 G C 0.195 174.987 174.900 -0.179 0.000 0.986 261 G CA 0.695 45.725 45.100 -0.116 0.000 0.683 261 G HN 0.357 nan 8.290 nan 0.000 0.527 262 K N -0.664 119.631 120.400 -0.175 0.000 2.316 262 K HA 0.706 5.027 4.320 0.002 0.000 0.234 262 K C -0.418 175.997 176.600 -0.308 0.000 1.054 262 K CA -1.008 55.206 56.287 -0.121 0.000 0.879 262 K CB 1.144 33.786 32.500 0.235 0.000 1.252 262 K HN 0.296 nan 8.250 nan 0.000 0.471 263 H N -0.456 118.721 119.070 0.178 0.000 2.589 263 H HA 0.541 5.098 4.556 0.001 0.000 0.351 263 H C -1.110 174.256 175.328 0.064 0.000 1.074 263 H CA -0.788 55.314 56.048 0.090 0.000 1.203 263 H CB 2.015 31.776 29.762 -0.002 0.000 1.558 263 H HN 0.682 nan 8.280 nan 0.000 0.522 264 A N 2.835 125.753 122.820 0.164 0.000 2.413 264 A HA 0.569 4.890 4.320 0.002 0.000 0.307 264 A C -1.326 176.292 177.584 0.055 0.000 1.087 264 A CA -0.691 51.390 52.037 0.073 0.000 0.750 264 A CB 1.906 21.011 19.000 0.174 0.000 1.296 264 A HN 0.468 nan 8.150 nan 0.000 0.423 265 L N 1.893 123.126 121.223 0.016 0.000 2.362 265 L HA 0.805 5.146 4.340 0.002 0.000 0.275 265 L C -1.078 175.770 176.870 -0.037 0.000 0.998 265 L CA -0.416 54.418 54.840 -0.010 0.000 0.820 265 L CB 1.288 43.342 42.059 -0.008 0.000 1.270 265 L HN 0.687 nan 8.230 nan 0.000 0.415 266 I N 5.048 125.545 120.570 -0.122 0.000 2.465 266 I HA 0.544 4.715 4.170 0.002 0.000 0.291 266 I C -1.249 174.616 176.117 -0.420 0.000 1.014 266 I CA -0.577 60.558 61.300 -0.274 0.000 1.093 266 I CB 1.576 39.342 38.000 -0.390 0.000 1.267 266 I HN 0.619 nan 8.210 nan 0.000 0.431 267 I N 7.820 128.154 120.570 -0.393 0.000 2.378 267 I HA 0.261 4.432 4.170 0.002 0.000 0.291 267 I C -1.146 174.638 176.117 -0.556 0.000 0.992 267 I CA -0.087 60.986 61.300 -0.378 0.000 1.154 267 I CB 1.219 39.152 38.000 -0.112 0.000 1.315 267 I HN 0.351 nan 8.210 nan 0.000 0.448 268 Y N 4.213 124.379 120.300 -0.224 0.000 2.595 268 Y HA 0.365 4.917 4.550 0.003 0.000 0.336 268 Y C -0.038 175.704 175.900 -0.265 0.000 0.996 268 Y CA -0.696 57.245 58.100 -0.266 0.000 1.260 268 Y CB 0.579 38.890 38.460 -0.249 0.000 1.108 268 Y HN 0.408 nan 8.280 nan 0.000 0.509 269 D N 3.783 124.045 120.400 -0.230 0.000 2.462 269 D HA 0.184 4.825 4.640 0.002 0.000 0.249 269 D C -1.181 175.056 176.300 -0.105 0.000 1.117 269 D CA -0.382 53.511 54.000 -0.178 0.000 0.900 269 D CB 0.308 40.962 40.800 -0.244 0.000 1.039 269 D HN 0.691 nan 8.370 nan 0.000 0.516 270 D N 0.324 120.695 120.400 -0.048 0.000 2.559 270 D HA 0.238 4.879 4.640 0.002 0.000 0.250 270 D C 0.717 176.985 176.300 -0.054 0.000 1.135 270 D CA -0.729 53.243 54.000 -0.047 0.000 0.955 270 D CB 0.983 41.767 40.800 -0.027 0.000 1.442 270 D HN 0.086 nan 8.370 nan 0.000 0.471 271 L N 0.141 121.301 121.223 -0.104 0.000 2.341 271 L HA 0.004 4.345 4.340 0.002 0.000 0.214 271 L C 1.798 178.663 176.870 -0.009 0.000 1.115 271 L CA 0.479 55.220 54.840 -0.165 0.000 0.820 271 L CB -0.351 41.404 42.059 -0.507 0.000 0.944 271 L HN 0.416 nan 8.230 nan 0.000 0.452 272 S N 0.305 116.008 115.700 0.005 0.000 2.356 272 S HA -0.175 4.296 4.470 0.002 0.000 0.223 272 S C 1.923 176.590 174.600 0.112 0.000 1.032 272 S CA 1.274 59.516 58.200 0.070 0.000 1.005 272 S CB -0.095 63.136 63.200 0.053 0.000 0.867 272 S HN 0.386 nan 8.310 nan 0.000 0.449 273 K N 1.082 121.527 120.400 0.076 0.000 2.057 273 K HA -0.102 4.219 4.320 0.002 0.000 0.207 273 K C 2.491 179.154 176.600 0.105 0.000 1.049 273 K CA 1.012 57.349 56.287 0.082 0.000 0.931 273 K CB -0.185 32.346 32.500 0.052 0.000 0.714 273 K HN 0.338 nan 8.250 nan 0.000 0.440 274 Q N 0.675 120.534 119.800 0.099 0.000 2.084 274 Q HA -0.171 4.170 4.340 0.002 0.000 0.202 274 Q C 2.060 178.187 176.000 0.211 0.000 0.978 274 Q CA 1.675 57.556 55.803 0.130 0.000 0.844 274 Q CB -0.084 28.698 28.738 0.072 0.000 0.898 274 Q HN 0.335 nan 8.270 nan 0.000 0.426 275 A N -0.043 122.921 122.820 0.240 0.000 1.930 275 A HA -0.114 4.207 4.320 0.002 0.000 0.217 275 A C 2.241 180.072 177.584 0.413 0.000 1.175 275 A CA 1.362 53.570 52.037 0.285 0.000 0.627 275 A CB -0.670 18.440 19.000 0.182 0.000 0.815 275 A HN 0.290 nan 8.150 nan 0.000 0.443 276 V N -0.071 120.031 119.914 0.313 0.000 2.287 276 V HA -0.295 3.826 4.120 0.002 0.000 0.248 276 V C 3.078 179.239 176.094 0.111 0.000 1.053 276 V CA 2.053 64.466 62.300 0.188 0.000 1.027 276 V CB -1.218 30.684 31.823 0.132 0.000 0.646 276 V HN 0.628 nan 8.190 nan 0.000 0.447 277 A N -1.052 121.847 122.820 0.132 0.000 1.883 277 A HA -0.297 4.024 4.320 0.002 0.000 0.217 277 A C 2.175 179.818 177.584 0.099 0.000 1.186 277 A CA 2.244 54.340 52.037 0.098 0.000 0.624 277 A CB -0.839 18.232 19.000 0.118 0.000 0.822 277 A HN 0.629 nan 8.150 nan 0.000 0.444 278 Y N 0.331 120.649 120.300 0.030 0.000 2.224 278 Y HA -0.170 4.382 4.550 0.003 0.000 0.289 278 Y C 2.494 178.363 175.900 -0.053 0.000 1.146 278 Y CA 1.909 59.980 58.100 -0.049 0.000 1.182 278 Y CB -0.340 38.140 38.460 0.033 0.000 0.983 278 Y HN 0.347 nan 8.280 nan 0.000 0.524 279 R N 0.162 120.648 120.500 -0.024 0.000 2.096 279 R HA -0.217 4.123 4.340 0.002 0.000 0.235 279 R C 2.424 178.600 176.300 -0.206 0.000 1.127 279 R CA 1.724 57.718 56.100 -0.176 0.000 0.968 279 R CB -0.346 29.771 30.300 -0.306 0.000 0.861 279 R HN 0.532 nan 8.270 nan 0.000 0.440 280 Q N 0.323 120.036 119.800 -0.144 0.000 2.030 280 Q HA -0.220 4.121 4.340 0.002 0.000 0.204 280 Q C 2.071 177.975 176.000 -0.160 0.000 0.986 280 Q CA 2.147 57.873 55.803 -0.128 0.000 0.843 280 Q CB -0.075 28.615 28.738 -0.081 0.000 0.904 280 Q HN 0.398 nan 8.270 nan 0.000 0.420 281 M N -0.110 119.368 119.600 -0.203 0.000 2.108 281 M HA -0.172 4.309 4.480 0.002 0.000 0.261 281 M C 2.335 178.467 176.300 -0.279 0.000 1.066 281 M CA 1.748 56.905 55.300 -0.238 0.000 1.107 281 M CB -0.023 32.395 32.600 -0.302 0.000 1.356 281 M HN 0.132 nan 8.290 nan 0.000 0.406 282 S N 0.641 116.099 115.700 -0.403 0.000 2.355 282 S HA -0.038 4.433 4.470 0.002 0.000 0.222 282 S C 1.882 176.361 174.600 -0.201 0.000 1.031 282 S CA 1.071 59.057 58.200 -0.357 0.000 0.993 282 S CB -0.478 62.441 63.200 -0.468 0.000 0.859 282 S HN 0.386 nan 8.310 nan 0.000 0.453 283 L N 0.978 122.093 121.223 -0.180 0.000 2.083 283 L HA -0.083 4.258 4.340 0.002 0.000 0.209 283 L C 2.202 179.013 176.870 -0.098 0.000 1.083 283 L CA 1.097 55.863 54.840 -0.123 0.000 0.752 283 L CB -0.565 41.421 42.059 -0.122 0.000 0.899 283 L HN 0.285 nan 8.230 nan 0.000 0.433 284 L N -0.727 120.433 121.223 -0.105 0.000 2.217 284 L HA -0.145 4.196 4.340 0.002 0.000 0.211 284 L C 2.183 179.014 176.870 -0.064 0.000 1.107 284 L CA 0.652 55.446 54.840 -0.076 0.000 0.783 284 L CB -0.178 41.837 42.059 -0.074 0.000 0.919 284 L HN 0.258 nan 8.230 nan 0.000 0.442 285 L N -0.678 120.497 121.223 -0.081 0.000 2.610 285 L HA -0.012 4.329 4.340 0.002 0.000 0.232 285 L C 0.881 177.722 176.870 -0.048 0.000 1.149 285 L CA 0.273 55.077 54.840 -0.060 0.000 0.872 285 L CB -0.231 41.784 42.059 -0.073 0.000 0.992 285 L HN 0.244 nan 8.230 nan 0.000 0.447 286 R N -0.130 120.338 120.500 -0.054 0.000 3.776 286 R HA -0.156 4.185 4.340 0.002 0.000 0.312 286 R C 0.028 176.306 176.300 -0.037 0.000 1.181 286 R CA 0.351 56.426 56.100 -0.041 0.000 0.836 286 R CB -1.370 28.915 30.300 -0.026 0.000 1.324 286 R HN 0.358 nan 8.270 nan 0.000 0.501 287 R N 0.706 121.175 120.500 -0.052 0.000 2.594 287 R HA 0.167 4.508 4.340 0.002 0.000 0.272 287 R C -2.076 174.206 176.300 -0.031 0.000 1.074 287 R CA -1.457 54.619 56.100 -0.039 0.000 1.105 287 R CB 0.225 30.490 30.300 -0.058 0.000 1.008 287 R HN -0.108 nan 8.270 nan 0.000 0.472 288 P HA 0.058 nan 4.420 nan 0.000 0.268 288 P C -2.375 174.925 177.300 0.000 0.000 1.204 288 P CA -0.875 62.223 63.100 -0.004 0.000 0.768 288 P CB 0.244 31.950 31.700 0.009 0.000 0.842 289 P HA 0.317 nan 4.420 nan 0.000 0.294 289 P C -0.125 177.181 177.300 0.009 0.000 1.294 289 P CA -0.110 62.988 63.100 -0.004 0.000 0.827 289 P CB 1.840 33.524 31.700 -0.028 0.000 0.992 290 G N 2.177 110.997 108.800 0.033 0.000 3.175 290 G HA2 0.330 4.291 3.960 0.002 0.000 0.153 290 G HA3 0.330 4.291 3.960 0.002 0.000 0.153 290 G C -0.549 174.338 174.900 -0.021 0.000 1.216 290 G CA -0.815 44.286 45.100 0.002 0.000 0.943 290 G HN 0.533 nan 8.290 nan 0.000 0.611 291 R N 0.645 121.067 120.500 -0.130 0.000 2.538 291 R HA 0.113 4.454 4.340 0.002 0.000 0.282 291 R C 0.036 176.370 176.300 0.057 0.000 1.009 291 R CA 0.880 56.884 56.100 -0.160 0.000 1.063 291 R CB -0.198 29.819 30.300 -0.473 0.000 0.945 291 R HN 0.689 nan 8.270 nan 0.000 0.414 292 E N 2.505 122.761 120.200 0.094 0.000 2.722 292 E HA -0.332 4.019 4.350 0.002 0.000 0.265 292 E C 0.305 176.950 176.600 0.076 0.000 1.081 292 E CA 0.497 57.007 56.400 0.183 0.000 0.781 292 E CB -1.170 28.778 29.700 0.413 0.000 1.372 292 E HN 0.886 nan 8.360 nan 0.000 0.423 293 A N -2.248 120.580 122.820 0.012 0.000 3.132 293 A HA -0.318 4.003 4.320 0.002 0.000 0.266 293 A C 0.129 177.640 177.584 -0.121 0.000 1.216 293 A CA 1.893 53.885 52.037 -0.075 0.000 0.985 293 A CB -2.094 16.827 19.000 -0.133 0.000 1.102 293 A HN 0.463 nan 8.150 nan 0.000 0.833 294 Y N 0.482 120.852 120.300 0.116 0.000 2.397 294 Y HA 0.436 4.987 4.550 0.001 0.000 0.335 294 Y C -1.146 174.846 175.900 0.154 0.000 1.213 294 Y CA -1.082 57.124 58.100 0.177 0.000 1.391 294 Y CB 0.344 39.022 38.460 0.363 0.000 1.293 294 Y HN 0.265 nan 8.280 nan 0.000 0.557 295 P HA 0.090 nan 4.420 nan 0.000 0.278 295 P C 0.491 177.962 177.300 0.285 0.000 1.258 295 P CA -0.335 62.886 63.100 0.202 0.000 0.811 295 P CB 0.973 32.742 31.700 0.114 0.000 1.063 296 G N 0.796 109.724 108.800 0.213 0.000 2.586 296 G HA2 -0.186 3.775 3.960 0.002 0.000 0.215 296 G HA3 -0.186 3.775 3.960 0.002 0.000 0.215 296 G C 0.615 175.674 174.900 0.266 0.000 1.128 296 G CA 0.453 45.685 45.100 0.220 0.000 0.774 296 G HN 0.634 nan 8.290 nan 0.000 0.543 297 D N -0.388 120.199 120.400 0.311 0.000 2.402 297 D HA 0.074 4.715 4.640 0.002 0.000 0.216 297 D C 1.782 178.283 176.300 0.334 0.000 1.128 297 D CA -0.345 53.883 54.000 0.380 0.000 0.833 297 D CB -0.023 41.031 40.800 0.425 0.000 0.971 297 D HN 0.086 nan 8.370 nan 0.000 0.503 298 V N -0.114 119.978 119.914 0.296 0.000 2.548 298 V HA -0.100 4.020 4.120 0.002 0.000 0.249 298 V C 1.824 177.871 176.094 -0.078 0.000 1.055 298 V CA 1.138 63.495 62.300 0.095 0.000 1.065 298 V CB -0.695 31.197 31.823 0.114 0.000 0.681 298 V HN 0.184 nan 8.190 nan 0.000 0.462 299 F N 0.003 119.922 119.950 -0.052 0.000 2.075 299 F HA -0.224 4.303 4.527 0.001 0.000 0.297 299 F C 2.235 178.076 175.800 0.068 0.000 1.113 299 F CA 2.434 60.411 58.000 -0.038 0.000 1.218 299 F CB -0.675 38.342 39.000 0.027 0.000 0.984 299 F HN 0.340 nan 8.300 nan 0.000 0.472 300 Y N 0.979 121.375 120.300 0.160 0.000 2.151 300 Y HA -0.280 4.271 4.550 0.000 0.000 0.284 300 Y C 2.260 178.119 175.900 -0.068 0.000 1.166 300 Y CA 1.740 59.884 58.100 0.073 0.000 1.163 300 Y CB -1.236 37.305 38.460 0.135 0.000 0.974 300 Y HN 0.262 nan 8.280 nan 0.000 0.511 301 L N -0.045 121.092 121.223 -0.143 0.000 2.010 301 L HA -0.338 4.003 4.340 0.002 0.000 0.219 301 L C 2.403 179.171 176.870 -0.171 0.000 1.077 301 L CA 2.695 57.357 54.840 -0.296 0.000 0.773 301 L CB -0.917 40.858 42.059 -0.473 0.000 0.892 301 L HN 0.405 nan 8.230 nan 0.000 0.436 302 H N -2.010 116.903 119.070 -0.261 0.000 2.448 302 H HA -0.035 4.523 4.556 0.003 0.000 0.292 302 H C 2.371 177.499 175.328 -0.334 0.000 1.035 302 H CA 0.771 56.619 56.048 -0.333 0.000 1.349 302 H CB 0.102 29.647 29.762 -0.362 0.000 1.425 302 H HN 0.567 nan 8.280 nan 0.000 0.539 303 S N 1.539 117.077 115.700 -0.270 0.000 2.383 303 S HA -0.205 4.266 4.470 0.002 0.000 0.227 303 S C 2.100 176.666 174.600 -0.056 0.000 1.026 303 S CA 1.096 59.152 58.200 -0.239 0.000 0.981 303 S CB -0.215 62.789 63.200 -0.327 0.000 0.818 303 S HN 0.529 nan 8.310 nan 0.000 0.472 304 R N 0.673 121.174 120.500 0.002 0.000 2.115 304 R HA 0.120 4.461 4.340 0.002 0.000 0.230 304 R C 2.323 178.644 176.300 0.035 0.000 1.111 304 R CA 1.159 57.283 56.100 0.039 0.000 0.976 304 R CB -0.788 29.518 30.300 0.010 0.000 0.870 304 R HN 0.444 nan 8.270 nan 0.000 0.445 305 L N 1.345 122.570 121.223 0.003 0.000 2.005 305 L HA -0.031 4.310 4.340 0.002 0.000 0.207 305 L C 2.138 178.951 176.870 -0.095 0.000 1.072 305 L CA 1.604 56.383 54.840 -0.103 0.000 0.744 305 L CB -0.233 41.550 42.059 -0.461 0.000 0.895 305 L HN 0.208 nan 8.230 nan 0.000 0.433 306 L N -0.684 120.472 121.223 -0.111 0.000 2.291 306 L HA -0.055 4.286 4.340 0.002 0.000 0.214 306 L C 2.303 179.167 176.870 -0.008 0.000 1.120 306 L CA 0.412 55.219 54.840 -0.054 0.000 0.799 306 L CB -0.569 41.433 42.059 -0.095 0.000 0.925 306 L HN 0.288 nan 8.230 nan 0.000 0.446 307 E N 0.422 120.619 120.200 -0.006 0.000 2.418 307 E HA -0.117 4.234 4.350 0.002 0.000 0.197 307 E C 2.042 178.656 176.600 0.023 0.000 1.026 307 E CA 0.517 56.925 56.400 0.013 0.000 0.862 307 E CB 0.060 29.774 29.700 0.023 0.000 0.799 307 E HN 0.487 nan 8.360 nan 0.000 0.518 308 R N 0.647 121.167 120.500 0.035 0.000 2.236 308 R HA 0.090 4.431 4.340 0.002 0.000 0.208 308 R C 0.958 177.291 176.300 0.055 0.000 1.036 308 R CA 0.389 56.518 56.100 0.048 0.000 1.001 308 R CB 0.035 30.376 30.300 0.068 0.000 0.896 308 R HN -0.073 nan 8.270 nan 0.000 0.464 309 A N 1.414 124.269 122.820 0.058 0.000 2.492 309 A HA 0.513 4.834 4.320 0.002 0.000 0.254 309 A C -0.138 177.464 177.584 0.030 0.000 1.091 309 A CA 0.227 52.294 52.037 0.050 0.000 0.768 309 A CB 0.205 19.234 19.000 0.048 0.000 1.028 309 A HN 0.318 nan 8.150 nan 0.000 0.498 310 A N 2.472 125.310 122.820 0.030 0.000 2.604 310 A HA 0.681 5.002 4.320 0.002 0.000 0.295 310 A C -0.728 176.871 177.584 0.024 0.000 1.067 310 A CA -0.779 51.266 52.037 0.014 0.000 0.683 310 A CB 1.142 20.138 19.000 -0.006 0.000 1.281 310 A HN 0.884 nan 8.150 nan 0.000 0.407 311 K N 1.960 122.369 120.400 0.016 0.000 2.240 311 K HA 0.607 4.928 4.320 0.002 0.000 0.271 311 K C -0.592 176.014 176.600 0.010 0.000 1.018 311 K CA -0.312 55.994 56.287 0.031 0.000 0.874 311 K CB 0.454 32.974 32.500 0.032 0.000 1.098 311 K HN 0.581 nan 8.250 nan 0.000 0.458 312 M N 3.373 122.987 119.600 0.023 0.000 2.249 312 M HA 0.205 4.686 4.480 0.002 0.000 0.351 312 M C 0.207 176.536 176.300 0.047 0.000 1.180 312 M CA -0.787 54.520 55.300 0.012 0.000 1.127 312 M CB 0.412 33.044 32.600 0.053 0.000 1.546 312 M HN 0.774 nan 8.290 nan 0.000 0.461 313 N N 1.346 120.076 118.700 0.050 0.000 2.317 313 N HA 0.034 4.774 4.740 0.002 0.000 0.245 313 N C 0.175 175.760 175.510 0.125 0.000 1.294 313 N CA -0.110 52.990 53.050 0.083 0.000 0.924 313 N CB 0.438 38.972 38.487 0.079 0.000 1.186 313 N HN 0.432 nan 8.380 nan 0.000 0.495 314 D N -0.586 119.870 120.400 0.094 0.000 2.144 314 D HA -0.093 4.548 4.640 0.002 0.000 0.199 314 D C 1.667 178.013 176.300 0.075 0.000 0.984 314 D CA 1.696 55.740 54.000 0.073 0.000 0.834 314 D CB -0.603 40.225 40.800 0.047 0.000 0.955 314 D HN 0.718 nan 8.370 nan 0.000 0.465 315 A N -0.268 122.616 122.820 0.106 0.000 2.070 315 A HA -0.135 4.186 4.320 0.002 0.000 0.220 315 A C 1.437 179.005 177.584 -0.027 0.000 1.159 315 A CA 0.824 52.894 52.037 0.055 0.000 0.656 315 A CB -0.584 18.475 19.000 0.098 0.000 0.800 315 A HN 0.157 nan 8.150 nan 0.000 0.453 316 F N -1.277 118.664 119.950 -0.014 0.000 2.641 316 F HA 0.400 4.928 4.527 0.002 0.000 0.302 316 F C 1.715 177.494 175.800 -0.034 0.000 1.098 316 F CA 0.492 58.479 58.000 -0.022 0.000 1.318 316 F CB 0.551 39.541 39.000 -0.016 0.000 1.035 316 F HN 0.336 nan 8.300 nan 0.000 0.551 317 G N -0.499 108.345 108.800 0.074 0.000 2.213 317 G HA2 -0.113 3.847 3.960 0.002 0.000 0.226 317 G HA3 -0.113 3.847 3.960 0.002 0.000 0.226 317 G C 1.247 176.156 174.900 0.016 0.000 0.992 317 G CA -0.098 45.011 45.100 0.015 0.000 0.632 317 G HN 1.045 nan 8.290 nan 0.000 0.511 318 G N -0.513 108.318 108.800 0.052 0.000 2.148 318 G HA2 0.188 4.149 3.960 0.002 0.000 0.254 318 G HA3 0.188 4.149 3.960 0.002 0.000 0.254 318 G C 1.458 176.363 174.900 0.008 0.000 0.981 318 G CA 1.075 46.206 45.100 0.052 0.000 0.670 318 G HN 2.083 nan 8.290 nan 0.000 0.528 319 G N -0.558 108.198 108.800 -0.075 0.000 2.621 319 G HA2 0.763 4.724 3.960 0.002 0.000 0.271 319 G HA3 0.763 4.724 3.960 0.002 0.000 0.271 319 G C 0.293 175.162 174.900 -0.052 0.000 1.236 319 G CA 0.897 45.853 45.100 -0.239 0.000 0.958 319 G HN 1.887 nan 8.290 nan 0.000 0.512 320 S N -1.823 113.873 115.700 -0.007 0.000 2.565 320 S HA 0.571 5.042 4.470 0.002 0.000 0.269 320 S C -1.626 173.051 174.600 0.127 0.000 1.153 320 S CA -0.795 57.484 58.200 0.132 0.000 0.835 320 S CB 1.845 65.206 63.200 0.268 0.000 1.122 320 S HN 1.205 nan 8.310 nan 0.000 0.462 321 L N 1.694 122.976 121.223 0.098 0.000 2.404 321 L HA 0.729 5.070 4.340 0.002 0.000 0.272 321 L C -0.766 176.138 176.870 0.056 0.000 0.980 321 L CA 0.237 55.131 54.840 0.090 0.000 0.836 321 L CB 1.861 43.976 42.059 0.093 0.000 1.238 321 L HN 0.926 nan 8.230 nan 0.000 0.408 322 T N 4.093 118.669 114.554 0.036 0.000 2.829 322 T HA 0.847 5.198 4.350 0.002 0.000 0.282 322 T C -0.318 174.366 174.700 -0.026 0.000 0.990 322 T CA -0.220 61.883 62.100 0.005 0.000 1.028 322 T CB 1.459 70.323 68.868 -0.008 0.000 0.951 322 T HN 0.796 nan 8.240 nan 0.000 0.460 323 A N 3.129 125.931 122.820 -0.029 0.000 2.343 323 A HA 0.755 5.076 4.320 0.002 0.000 0.316 323 A C -0.624 176.919 177.584 -0.067 0.000 1.104 323 A CA -0.752 51.243 52.037 -0.070 0.000 0.768 323 A CB 0.668 19.688 19.000 0.032 0.000 1.213 323 A HN 0.854 nan 8.150 nan 0.000 0.456 324 L N 4.420 125.573 121.223 -0.118 0.000 2.435 324 L HA 0.329 4.670 4.340 0.002 0.000 0.253 324 L C -2.297 174.527 176.870 -0.076 0.000 1.087 324 L CA -1.788 53.003 54.840 -0.082 0.000 0.950 324 L CB 1.311 43.330 42.059 -0.066 0.000 1.304 324 L HN 0.486 nan 8.230 nan 0.000 0.453 325 P HA 0.113 nan 4.420 nan 0.000 0.271 325 P C -0.458 176.810 177.300 -0.054 0.000 1.218 325 P CA -0.102 63.012 63.100 0.024 0.000 0.780 325 P CB 1.911 33.593 31.700 -0.031 0.000 0.901 326 V N 4.173 124.052 119.914 -0.059 0.000 2.513 326 V HA 0.411 4.532 4.120 0.002 0.000 0.299 326 V C 0.347 176.393 176.094 -0.080 0.000 1.035 326 V CA -0.607 61.655 62.300 -0.063 0.000 0.889 326 V CB 1.741 33.541 31.823 -0.038 0.000 0.988 326 V HN 0.414 nan 8.190 nan 0.000 0.440 327 I N 3.307 123.834 120.570 -0.072 0.000 2.498 327 I HA 0.421 4.591 4.170 0.002 0.000 0.290 327 I C -0.067 176.037 176.117 -0.021 0.000 1.032 327 I CA -0.414 60.852 61.300 -0.057 0.000 1.073 327 I CB 2.078 40.036 38.000 -0.071 0.000 1.251 327 I HN 0.759 nan 8.210 nan 0.000 0.426 328 E N 4.965 125.165 120.200 0.000 0.000 2.146 328 E HA 0.374 4.725 4.350 0.002 0.000 0.282 328 E C -0.476 176.146 176.600 0.036 0.000 0.989 328 E CA -0.370 56.041 56.400 0.019 0.000 0.799 328 E CB 1.109 30.824 29.700 0.025 0.000 1.088 328 E HN 0.696 nan 8.360 nan 0.000 0.397 329 T N 1.982 116.564 114.554 0.046 0.000 2.881 329 T HA 0.330 4.681 4.350 0.002 0.000 0.278 329 T C -0.093 174.641 174.700 0.057 0.000 0.982 329 T CA -1.015 61.122 62.100 0.062 0.000 0.989 329 T CB 1.455 70.371 68.868 0.081 0.000 1.058 329 T HN 0.341 nan 8.240 nan 0.000 0.529 330 Q N 0.370 120.208 119.800 0.062 0.000 2.341 330 Q HA 0.543 4.884 4.340 0.002 0.000 0.268 330 Q C 0.354 176.386 176.000 0.053 0.000 1.013 330 Q CA -0.299 55.538 55.803 0.056 0.000 0.798 330 Q CB 1.335 30.110 28.738 0.062 0.000 1.253 330 Q HN 1.226 nan 8.270 nan 0.000 0.457 331 A N 2.250 125.098 122.820 0.047 0.000 2.704 331 A HA -0.164 4.157 4.320 0.002 0.000 0.299 331 A C 1.149 178.760 177.584 0.046 0.000 1.507 331 A CA 1.487 53.551 52.037 0.044 0.000 0.776 331 A CB -2.114 16.909 19.000 0.039 0.000 1.027 331 A HN 1.594 nan 8.150 nan 0.000 0.475 332 G N -1.193 107.639 108.800 0.053 0.000 2.153 332 G HA2 -0.224 3.737 3.960 0.002 0.000 0.252 332 G HA3 -0.224 3.737 3.960 0.002 0.000 0.252 332 G C -0.013 174.921 174.900 0.056 0.000 0.994 332 G CA 1.006 46.140 45.100 0.056 0.000 0.698 332 G HN 1.603 nan 8.290 nan 0.000 0.521 333 D N 0.816 121.253 120.400 0.061 0.000 2.508 333 D HA 0.354 4.995 4.640 0.002 0.000 0.224 333 D C 1.975 178.325 176.300 0.083 0.000 1.171 333 D CA 0.312 54.350 54.000 0.064 0.000 1.006 333 D CB 0.285 41.122 40.800 0.063 0.000 1.073 333 D HN 0.603 nan 8.370 nan 0.000 0.513 334 V N 0.812 120.781 119.914 0.092 0.000 3.241 334 V HA -0.047 4.074 4.120 0.002 0.000 0.269 334 V C 1.455 177.617 176.094 0.112 0.000 1.151 334 V CA 1.018 63.397 62.300 0.132 0.000 1.158 334 V CB -0.292 31.640 31.823 0.181 0.000 0.764 334 V HN 0.274 nan 8.190 nan 0.000 0.508 335 S N 0.346 116.100 115.700 0.089 0.000 2.577 335 S HA 0.631 5.102 4.470 0.002 0.000 0.219 335 S C 1.117 175.782 174.600 0.107 0.000 0.962 335 S CA 0.241 58.496 58.200 0.090 0.000 0.921 335 S CB -0.032 63.209 63.200 0.067 0.000 0.789 335 S HN 0.903 nan 8.310 nan 0.000 0.497 336 A N 0.307 123.194 122.820 0.111 0.000 2.366 336 A HA 0.393 4.714 4.320 0.002 0.000 0.250 336 A C 0.764 178.458 177.584 0.183 0.000 1.099 336 A CA -0.183 51.936 52.037 0.136 0.000 0.794 336 A CB -0.110 18.962 19.000 0.121 0.000 1.056 336 A HN 0.499 nan 8.150 nan 0.000 0.499 337 Y N 0.139 120.458 120.300 0.031 0.000 2.070 337 Y HA -0.225 4.326 4.550 0.002 0.000 0.280 337 Y C 1.875 177.754 175.900 -0.035 0.000 1.148 337 Y CA 1.866 59.966 58.100 0.000 0.000 1.125 337 Y CB -0.014 38.439 38.460 -0.010 0.000 0.975 337 Y HN 0.511 nan 8.280 nan 0.000 0.492 338 I N 0.404 120.850 120.570 -0.207 0.000 2.252 338 I HA -0.149 4.022 4.170 0.002 0.000 0.245 338 I C -0.741 175.318 176.117 -0.097 0.000 1.102 338 I CA 1.014 62.143 61.300 -0.284 0.000 1.385 338 I CB -2.794 35.034 38.000 -0.288 0.000 1.064 338 I HN 0.217 nan 8.210 nan 0.000 0.414 339 P HA -0.087 nan 4.420 nan 0.000 0.217 339 P C 1.830 179.156 177.300 0.043 0.000 1.150 339 P CA 1.542 64.652 63.100 0.016 0.000 0.832 339 P CB -0.114 31.622 31.700 0.059 0.000 0.787 340 T N -0.482 114.114 114.554 0.070 0.000 2.684 340 T HA -0.151 4.199 4.350 0.002 0.000 0.267 340 T C 1.612 176.381 174.700 0.115 0.000 1.036 340 T CA 1.624 63.789 62.100 0.108 0.000 1.148 340 T CB -0.979 67.983 68.868 0.156 0.000 0.863 340 T HN 0.112 nan 8.240 nan 0.000 0.436 341 N N 0.879 119.627 118.700 0.080 0.000 2.043 341 N HA -0.079 4.662 4.740 0.002 0.000 0.193 341 N C 1.935 177.485 175.510 0.066 0.000 1.037 341 N CA 0.965 54.115 53.050 0.166 0.000 0.851 341 N CB -0.852 37.651 38.487 0.026 0.000 1.027 341 N HN 0.232 nan 8.380 nan 0.000 0.422 342 V N 1.204 121.105 119.914 -0.022 0.000 2.591 342 V HA -0.038 4.083 4.120 0.002 0.000 0.249 342 V C 2.235 178.299 176.094 -0.049 0.000 1.053 342 V CA 0.722 62.969 62.300 -0.088 0.000 1.068 342 V CB -0.364 31.359 31.823 -0.166 0.000 0.689 342 V HN 0.195 nan 8.190 nan 0.000 0.462 343 I N 0.549 121.116 120.570 -0.005 0.000 2.163 343 I HA -0.288 3.883 4.170 0.002 0.000 0.243 343 I C 2.777 178.925 176.117 0.052 0.000 1.085 343 I CA 2.062 63.375 61.300 0.022 0.000 1.347 343 I CB -0.431 37.621 38.000 0.086 0.000 1.044 343 I HN 0.390 nan 8.210 nan 0.000 0.408 344 S N 0.962 116.720 115.700 0.097 0.000 2.382 344 S HA -0.162 4.309 4.470 0.002 0.000 0.228 344 S C 2.034 176.708 174.600 0.123 0.000 1.027 344 S CA 1.335 59.616 58.200 0.135 0.000 0.991 344 S CB -0.407 62.923 63.200 0.216 0.000 0.823 344 S HN 0.357 nan 8.310 nan 0.000 0.469 345 I N 1.574 122.190 120.570 0.077 0.000 2.315 345 I HA -0.064 4.107 4.170 0.002 0.000 0.248 345 I C 1.505 177.622 176.117 -0.001 0.000 1.117 345 I CA 0.995 62.302 61.300 0.012 0.000 1.404 345 I CB -0.665 37.255 38.000 -0.134 0.000 1.071 345 I HN 0.450 nan 8.210 nan 0.000 0.419 346 T N -2.412 112.133 114.554 -0.015 0.000 2.788 346 T HA 0.103 4.454 4.350 0.002 0.000 0.280 346 T C 0.623 175.320 174.700 -0.006 0.000 0.984 346 T CA -0.588 61.498 62.100 -0.025 0.000 0.972 346 T CB 0.933 69.769 68.868 -0.053 0.000 1.039 346 T HN 0.020 nan 8.240 nan 0.000 0.530 347 D N 0.060 120.453 120.400 -0.011 0.000 2.349 347 D HA 0.309 4.950 4.640 0.002 0.000 0.215 347 D C 0.975 177.274 176.300 -0.002 0.000 1.016 347 D CA 0.618 54.617 54.000 -0.001 0.000 0.870 347 D CB 0.232 41.029 40.800 -0.004 0.000 0.917 347 D HN 0.899 nan 8.370 nan 0.000 0.524 348 G N -0.040 108.749 108.800 -0.018 0.000 2.321 348 G HA2 0.329 4.290 3.960 0.002 0.000 0.298 348 G HA3 0.329 4.290 3.960 0.002 0.000 0.298 348 G C -1.928 172.920 174.900 -0.087 0.000 1.385 348 G CA -0.831 44.256 45.100 -0.022 0.000 0.856 348 G HN -0.059 nan 8.290 nan 0.000 0.584 349 Q N -0.896 118.823 119.800 -0.134 0.000 2.345 349 Q HA 0.679 5.020 4.340 0.002 0.000 0.275 349 Q C -0.726 175.072 176.000 -0.336 0.000 1.063 349 Q CA -0.455 55.130 55.803 -0.364 0.000 0.819 349 Q CB 2.739 31.010 28.738 -0.779 0.000 1.356 349 Q HN 0.588 nan 8.270 nan 0.000 0.418 350 I N 2.676 123.050 120.570 -0.327 0.000 2.337 350 I HA 0.344 4.515 4.170 0.002 0.000 0.285 350 I C -0.893 175.087 176.117 -0.228 0.000 1.041 350 I CA -0.361 60.836 61.300 -0.172 0.000 1.199 350 I CB 0.350 38.302 38.000 -0.080 0.000 1.370 350 I HN 0.466 nan 8.210 nan 0.000 0.470 351 F N 6.723 126.681 119.950 0.012 0.000 2.424 351 F HA 0.406 4.934 4.527 0.001 0.000 0.356 351 F C 0.221 176.032 175.800 0.019 0.000 1.110 351 F CA -0.362 57.647 58.000 0.014 0.000 1.161 351 F CB 0.629 39.638 39.000 0.016 0.000 1.115 351 F HN 0.175 nan 8.300 nan 0.000 0.507 352 L N 3.809 125.135 121.223 0.171 0.000 2.325 352 L HA 0.561 4.902 4.340 0.002 0.000 0.278 352 L C -0.475 176.465 176.870 0.116 0.000 1.023 352 L CA -0.738 54.174 54.840 0.119 0.000 0.811 352 L CB 1.773 43.873 42.059 0.067 0.000 1.249 352 L HN 0.579 nan 8.230 nan 0.000 0.431 353 E N 0.427 120.688 120.200 0.103 0.000 2.293 353 E HA 0.253 4.604 4.350 0.002 0.000 0.270 353 E C -0.074 176.580 176.600 0.090 0.000 0.879 353 E CA -0.522 55.932 56.400 0.090 0.000 0.756 353 E CB 2.401 32.152 29.700 0.086 0.000 1.208 353 E HN 0.549 nan 8.360 nan 0.000 0.428 354 T N 1.203 115.804 114.554 0.078 0.000 2.684 354 T HA -0.251 4.100 4.350 0.002 0.000 0.267 354 T C 1.612 176.434 174.700 0.204 0.000 1.036 354 T CA 1.921 64.083 62.100 0.103 0.000 1.148 354 T CB -0.068 68.887 68.868 0.145 0.000 0.863 354 T HN 0.682 nan 8.240 nan 0.000 0.436 355 E N 1.216 121.523 120.200 0.179 0.000 2.152 355 E HA -0.056 4.295 4.350 0.002 0.000 0.192 355 E C 2.193 178.893 176.600 0.166 0.000 0.983 355 E CA 0.627 57.143 56.400 0.194 0.000 0.818 355 E CB -0.457 29.320 29.700 0.129 0.000 0.758 355 E HN 0.433 nan 8.360 nan 0.000 0.467 356 L N 0.087 121.387 121.223 0.127 0.000 2.046 356 L HA -0.129 4.212 4.340 0.002 0.000 0.208 356 L C 2.553 179.473 176.870 0.083 0.000 1.077 356 L CA 1.401 56.299 54.840 0.095 0.000 0.747 356 L CB -0.548 41.561 42.059 0.083 0.000 0.896 356 L HN 0.191 nan 8.230 nan 0.000 0.432 357 F N 0.161 120.061 119.950 -0.083 0.000 2.043 357 F HA -0.334 4.194 4.527 0.002 0.000 0.297 357 F C 2.343 178.005 175.800 -0.230 0.000 1.121 357 F CA 1.864 59.730 58.000 -0.225 0.000 1.199 357 F CB -0.447 38.307 39.000 -0.411 0.000 0.968 357 F HN -0.059 nan 8.300 nan 0.000 0.478 358 Y N -0.117 120.342 120.300 0.265 0.000 2.439 358 Y HA -0.102 4.449 4.550 0.001 0.000 0.292 358 Y C 2.226 178.155 175.900 0.048 0.000 1.130 358 Y CA 0.933 59.123 58.100 0.150 0.000 1.254 358 Y CB -0.421 38.144 38.460 0.175 0.000 1.000 358 Y HN -0.000 nan 8.280 nan 0.000 0.554 359 K N -0.434 120.055 120.400 0.148 0.000 2.362 359 K HA -0.041 4.280 4.320 0.002 0.000 0.200 359 K C 1.496 178.107 176.600 0.018 0.000 1.046 359 K CA 0.943 57.278 56.287 0.081 0.000 0.952 359 K CB -0.231 32.312 32.500 0.072 0.000 0.753 359 K HN 0.494 nan 8.250 nan 0.000 0.466 360 G N 0.654 109.422 108.800 -0.053 0.000 2.184 360 G HA2 -0.160 3.801 3.960 0.002 0.000 0.206 360 G HA3 -0.160 3.801 3.960 0.002 0.000 0.206 360 G C 0.031 174.856 174.900 -0.126 0.000 0.995 360 G CA -0.405 44.629 45.100 -0.110 0.000 0.651 360 G HN 0.106 nan 8.290 nan 0.000 0.511 361 I N 2.126 122.640 120.570 -0.095 0.000 2.293 361 I HA 0.342 4.513 4.170 0.002 0.000 0.299 361 I C 0.671 176.716 176.117 -0.119 0.000 1.153 361 I CA 0.371 61.630 61.300 -0.069 0.000 1.302 361 I CB -0.534 37.462 38.000 -0.007 0.000 1.460 361 I HN 0.149 nan 8.210 nan 0.000 0.552 362 R N 7.267 127.675 120.500 -0.154 0.000 2.502 362 R HA 0.405 4.746 4.340 0.002 0.000 0.300 362 R C -2.576 173.665 176.300 -0.097 0.000 0.984 362 R CA -1.701 54.292 56.100 -0.178 0.000 0.882 362 R CB 2.409 32.487 30.300 -0.370 0.000 1.180 362 R HN 0.251 nan 8.270 nan 0.000 0.444 363 P HA -0.041 nan 4.420 nan 0.000 0.266 363 P C -0.176 177.135 177.300 0.018 0.000 1.195 363 P CA 0.027 63.123 63.100 -0.007 0.000 0.768 363 P CB 0.815 32.516 31.700 0.002 0.000 0.838 364 A N 4.582 127.448 122.820 0.078 0.000 2.810 364 A HA 0.149 4.470 4.320 0.002 0.000 0.247 364 A C 0.806 178.443 177.584 0.089 0.000 1.576 364 A CA -0.288 51.810 52.037 0.101 0.000 1.294 364 A CB -1.435 17.689 19.000 0.206 0.000 0.976 364 A HN 0.489 nan 8.150 nan 0.000 0.631 365 I N 1.171 121.781 120.570 0.068 0.000 2.396 365 I HA 0.031 4.202 4.170 0.002 0.000 0.289 365 I C 0.459 176.627 176.117 0.086 0.000 1.056 365 I CA -0.438 60.909 61.300 0.078 0.000 1.365 365 I CB 0.586 38.621 38.000 0.058 0.000 1.407 365 I HN 0.305 nan 8.210 nan 0.000 0.509 366 N N 6.550 125.320 118.700 0.116 0.000 2.399 366 N HA 0.035 4.776 4.740 0.002 0.000 0.259 366 N C 0.478 176.048 175.510 0.100 0.000 1.160 366 N CA 0.212 53.319 53.050 0.096 0.000 0.946 366 N CB 1.469 40.005 38.487 0.081 0.000 1.156 366 N HN 0.437 nan 8.380 nan 0.000 0.489 367 V N 3.500 123.458 119.914 0.073 0.000 3.306 367 V HA 0.035 4.156 4.120 0.002 0.000 0.264 367 V C 1.926 178.055 176.094 0.059 0.000 1.149 367 V CA 1.573 63.913 62.300 0.068 0.000 1.143 367 V CB -0.146 31.710 31.823 0.055 0.000 0.767 367 V HN 0.783 nan 8.190 nan 0.000 0.476 368 G N -0.547 108.278 108.800 0.042 0.000 2.396 368 G HA2 -0.088 3.873 3.960 0.002 0.000 0.214 368 G HA3 -0.088 3.873 3.960 0.002 0.000 0.214 368 G C 1.443 176.352 174.900 0.015 0.000 1.166 368 G CA 0.468 45.580 45.100 0.019 0.000 0.793 368 G HN 0.458 nan 8.290 nan 0.000 0.533 369 L N 0.869 122.094 121.223 0.003 0.000 2.162 369 L HA 0.132 4.473 4.340 0.002 0.000 0.205 369 L C 1.280 178.264 176.870 0.188 0.000 1.086 369 L CA -0.038 54.778 54.840 -0.039 0.000 0.778 369 L CB -0.415 41.442 42.059 -0.336 0.000 0.928 369 L HN 0.012 nan 8.230 nan 0.000 0.446 370 S N 0.192 116.071 115.700 0.297 0.000 2.558 370 S HA 0.202 4.673 4.470 0.002 0.000 0.288 370 S C -0.215 174.496 174.600 0.186 0.000 1.318 370 S CA -0.056 58.343 58.200 0.332 0.000 1.056 370 S CB 1.630 64.947 63.200 0.195 0.000 0.853 370 S HN 0.071 nan 8.310 nan 0.000 0.505 371 V N 2.462 122.465 119.914 0.148 0.000 2.971 371 V HA 0.759 4.880 4.120 0.002 0.000 0.309 371 V C -0.882 175.237 176.094 0.042 0.000 1.130 371 V CA -0.474 61.881 62.300 0.092 0.000 0.964 371 V CB 2.570 34.459 31.823 0.110 0.000 1.029 371 V HN 0.786 nan 8.190 nan 0.000 0.427 372 S N 5.306 121.024 115.700 0.031 0.000 2.756 372 S HA 0.499 4.970 4.470 0.002 0.000 0.303 372 S C 0.618 175.227 174.600 0.017 0.000 1.135 372 S CA -0.672 57.536 58.200 0.014 0.000 1.066 372 S CB 1.271 64.475 63.200 0.006 0.000 1.008 372 S HN 0.798 nan 8.310 nan 0.000 0.482 373 R N 2.774 123.283 120.500 0.016 0.000 2.189 373 R HA -0.006 4.335 4.340 0.002 0.000 0.218 373 R C 1.639 177.945 176.300 0.010 0.000 1.074 373 R CA 1.023 57.133 56.100 0.017 0.000 0.991 373 R CB -0.277 30.035 30.300 0.019 0.000 0.883 373 R HN 0.556 nan 8.270 nan 0.000 0.457 374 V N 0.344 120.261 119.914 0.005 0.000 2.307 374 V HA -0.102 4.019 4.120 0.002 0.000 0.245 374 V C 1.796 177.890 176.094 0.000 0.000 1.045 374 V CA 1.699 63.999 62.300 0.000 0.000 1.024 374 V CB -1.041 30.779 31.823 -0.006 0.000 0.651 374 V HN 0.667 nan 8.190 nan 0.000 0.449 375 G N 0.200 109.001 108.800 0.002 0.000 2.583 375 G HA2 -0.392 3.569 3.960 0.002 0.000 0.292 375 G HA3 -0.392 3.569 3.960 0.002 0.000 0.292 375 G C 1.084 175.984 174.900 -0.001 0.000 1.203 375 G CA 0.661 45.763 45.100 0.004 0.000 0.987 375 G HN 0.389 nan 8.290 nan 0.000 0.554 376 S N 0.683 116.383 115.700 0.001 0.000 2.387 376 S HA -0.068 4.403 4.470 0.002 0.000 0.230 376 S C 2.822 177.418 174.600 -0.006 0.000 1.035 376 S CA 2.456 60.656 58.200 -0.001 0.000 1.014 376 S CB -0.746 62.454 63.200 0.001 0.000 0.836 376 S HN 1.735 nan 8.310 nan 0.000 0.466 377 A N 0.815 123.631 122.820 -0.007 0.000 2.084 377 A HA 0.071 4.392 4.320 0.002 0.000 0.221 377 A C 1.949 179.522 177.584 -0.019 0.000 1.161 377 A CA 1.609 53.639 52.037 -0.011 0.000 0.653 377 A CB -0.572 18.423 19.000 -0.008 0.000 0.802 377 A HN 0.543 nan 8.150 nan 0.000 0.457 378 A N -1.512 121.296 122.820 -0.020 0.000 2.423 378 A HA 0.367 4.688 4.320 0.002 0.000 0.246 378 A C 0.648 178.212 177.584 -0.033 0.000 1.278 378 A CA -0.226 51.792 52.037 -0.031 0.000 0.903 378 A CB 0.052 19.034 19.000 -0.029 0.000 0.997 378 A HN 0.585 nan 8.150 nan 0.000 0.510 379 Q N 0.588 120.374 119.800 -0.024 0.000 2.306 379 Q HA 0.426 4.767 4.340 0.002 0.000 0.265 379 Q C -0.306 175.682 176.000 -0.021 0.000 1.022 379 Q CA -0.601 55.190 55.803 -0.020 0.000 0.853 379 Q CB 1.868 30.601 28.738 -0.008 0.000 1.327 379 Q HN 0.458 nan 8.270 nan 0.000 0.449 380 T N -1.253 113.289 114.554 -0.021 0.000 2.898 380 T HA 0.186 4.537 4.350 0.002 0.000 0.301 380 T C 1.028 175.725 174.700 -0.005 0.000 1.049 380 T CA -0.436 61.654 62.100 -0.018 0.000 1.095 380 T CB 1.002 69.860 68.868 -0.017 0.000 0.976 380 T HN 0.580 nan 8.240 nan 0.000 0.539 381 R N 1.350 121.848 120.500 -0.004 0.000 2.096 381 R HA -0.165 4.176 4.340 0.002 0.000 0.240 381 R C 2.798 179.106 176.300 0.012 0.000 1.139 381 R CA 1.627 57.729 56.100 0.004 0.000 0.952 381 R CB -1.064 29.238 30.300 0.003 0.000 0.854 381 R HN 0.867 nan 8.270 nan 0.000 0.436 382 A N 0.998 123.826 122.820 0.014 0.000 1.865 382 A HA -0.251 4.070 4.320 0.002 0.000 0.217 382 A C 2.134 179.738 177.584 0.032 0.000 1.191 382 A CA 1.779 53.831 52.037 0.025 0.000 0.623 382 A CB -0.484 18.528 19.000 0.020 0.000 0.826 382 A HN 0.251 nan 8.150 nan 0.000 0.444 383 M N -0.080 119.534 119.600 0.024 0.000 2.117 383 M HA -0.106 4.375 4.480 0.002 0.000 0.262 383 M C 1.916 178.230 176.300 0.023 0.000 1.065 383 M CA 2.130 57.445 55.300 0.026 0.000 1.114 383 M CB -0.645 31.966 32.600 0.018 0.000 1.361 383 M HN 0.435 nan 8.290 nan 0.000 0.408 384 K N -0.580 119.829 120.400 0.016 0.000 2.044 384 K HA -0.284 4.037 4.320 0.002 0.000 0.210 384 K C 2.151 178.761 176.600 0.016 0.000 1.049 384 K CA 2.150 58.444 56.287 0.012 0.000 0.927 384 K CB -0.270 32.235 32.500 0.008 0.000 0.713 384 K HN 0.582 nan 8.250 nan 0.000 0.443 385 Q N 0.108 119.921 119.800 0.023 0.000 1.935 385 Q HA -0.212 4.129 4.340 0.002 0.000 0.212 385 Q C 2.027 178.042 176.000 0.025 0.000 1.008 385 Q CA 3.017 58.836 55.803 0.027 0.000 0.868 385 Q CB -0.158 28.605 28.738 0.042 0.000 0.946 385 Q HN 0.359 nan 8.270 nan 0.000 0.418 386 V N -1.855 118.081 119.914 0.038 0.000 2.515 386 V HA -0.082 4.039 4.120 0.002 0.000 0.250 386 V C 2.133 178.236 176.094 0.016 0.000 1.058 386 V CA 1.654 63.972 62.300 0.031 0.000 1.064 386 V CB -1.467 30.395 31.823 0.066 0.000 0.675 386 V HN 0.455 nan 8.190 nan 0.000 0.461 387 A N 1.556 124.387 122.820 0.019 0.000 1.933 387 A HA 0.052 4.373 4.320 0.002 0.000 0.218 387 A C 2.389 179.978 177.584 0.008 0.000 1.175 387 A CA 1.940 53.985 52.037 0.014 0.000 0.628 387 A CB -1.449 17.560 19.000 0.016 0.000 0.814 387 A HN 0.660 nan 8.150 nan 0.000 0.444 388 G N -0.979 107.825 108.800 0.007 0.000 2.421 388 G HA2 -0.164 3.797 3.960 0.002 0.000 0.216 388 G HA3 -0.164 3.797 3.960 0.002 0.000 0.216 388 G C 1.581 176.480 174.900 -0.002 0.000 1.171 388 G CA 1.663 46.766 45.100 0.004 0.000 0.775 388 G HN 0.430 nan 8.290 nan 0.000 0.543 389 T N 0.832 115.381 114.554 -0.008 0.000 2.746 389 T HA -0.133 4.218 4.350 0.002 0.000 0.267 389 T C 2.275 176.961 174.700 -0.023 0.000 1.039 389 T CA 1.438 63.525 62.100 -0.021 0.000 1.142 389 T CB -0.197 68.648 68.868 -0.037 0.000 0.866 389 T HN 0.267 nan 8.240 nan 0.000 0.444 390 M N 0.826 120.414 119.600 -0.019 0.000 2.132 390 M HA -0.082 4.399 4.480 0.002 0.000 0.263 390 M C 2.345 178.641 176.300 -0.005 0.000 1.065 390 M CA 1.643 56.931 55.300 -0.019 0.000 1.122 390 M CB -0.134 32.458 32.600 -0.014 0.000 1.365 390 M HN 0.057 nan 8.290 nan 0.000 0.411 391 K N 0.176 120.578 120.400 0.003 0.000 2.044 391 K HA -0.244 4.077 4.320 0.002 0.000 0.210 391 K C 1.918 178.527 176.600 0.015 0.000 1.049 391 K CA 1.811 58.106 56.287 0.013 0.000 0.927 391 K CB -0.359 32.149 32.500 0.014 0.000 0.713 391 K HN 0.339 nan 8.250 nan 0.000 0.443 392 L N 1.825 123.053 121.223 0.008 0.000 2.017 392 L HA -0.146 4.195 4.340 0.002 0.000 0.208 392 L C 1.776 178.654 176.870 0.014 0.000 1.073 392 L CA 1.856 56.701 54.840 0.009 0.000 0.745 392 L CB -0.398 41.662 42.059 0.001 0.000 0.894 392 L HN 0.224 nan 8.230 nan 0.000 0.432 393 E N -0.786 119.417 120.200 0.005 0.000 2.204 393 E HA -0.182 4.169 4.350 0.002 0.000 0.194 393 E C 2.278 178.904 176.600 0.043 0.000 0.989 393 E CA 1.035 57.440 56.400 0.008 0.000 0.824 393 E CB -0.157 29.527 29.700 -0.027 0.000 0.756 393 E HN 0.497 nan 8.360 nan 0.000 0.477 394 L N 0.261 121.510 121.223 0.043 0.000 2.156 394 L HA -0.097 4.244 4.340 0.002 0.000 0.208 394 L C 2.457 179.405 176.870 0.131 0.000 1.095 394 L CA 0.701 55.602 54.840 0.102 0.000 0.770 394 L CB -0.257 41.841 42.059 0.065 0.000 0.914 394 L HN 0.153 nan 8.230 nan 0.000 0.439 395 A N -0.569 122.292 122.820 0.068 0.000 1.930 395 A HA -0.215 4.106 4.320 0.002 0.000 0.217 395 A C 2.181 179.786 177.584 0.035 0.000 1.175 395 A CA 1.228 53.290 52.037 0.040 0.000 0.627 395 A CB -0.332 18.682 19.000 0.024 0.000 0.815 395 A HN 0.438 nan 8.150 nan 0.000 0.443 396 Q N -1.928 117.903 119.800 0.053 0.000 2.119 396 Q HA -0.195 4.146 4.340 0.002 0.000 0.201 396 Q C 2.005 178.046 176.000 0.069 0.000 0.972 396 Q CA 1.701 57.534 55.803 0.049 0.000 0.847 396 Q CB -0.369 28.398 28.738 0.049 0.000 0.903 396 Q HN 0.834 nan 8.270 nan 0.000 0.433 397 Y N 1.474 121.754 120.300 -0.034 0.000 2.128 397 Y HA -0.224 4.327 4.550 0.002 0.000 0.284 397 Y C 2.170 178.024 175.900 -0.077 0.000 1.154 397 Y CA 1.604 59.675 58.100 -0.047 0.000 1.149 397 Y CB -0.119 38.316 38.460 -0.042 0.000 0.976 397 Y HN -0.120 nan 8.280 nan 0.000 0.505 398 R N 0.212 120.584 120.500 -0.212 0.000 2.127 398 R HA -0.177 4.164 4.340 0.002 0.000 0.238 398 R C 2.131 178.251 176.300 -0.300 0.000 1.134 398 R CA 1.801 57.714 56.100 -0.313 0.000 0.975 398 R CB -0.165 30.062 30.300 -0.121 0.000 0.865 398 R HN 0.543 nan 8.270 nan 0.000 0.447 399 E N -0.680 119.404 120.200 -0.193 0.000 2.150 399 E HA -0.132 4.219 4.350 0.002 0.000 0.193 399 E C 1.415 177.842 176.600 -0.288 0.000 0.985 399 E CA 1.184 57.493 56.400 -0.152 0.000 0.814 399 E CB 0.262 29.940 29.700 -0.037 0.000 0.752 399 E HN 0.124 nan 8.360 nan 0.000 0.466 400 V N 0.305 120.009 119.914 -0.349 0.000 3.621 400 V HA 0.139 4.260 4.120 0.002 0.000 0.285 400 V C 1.828 177.450 176.094 -0.788 0.000 1.346 400 V CA 0.706 62.718 62.300 -0.480 0.000 1.104 400 V CB 0.325 32.131 31.823 -0.027 0.000 0.913 400 V HN 0.234 nan 8.190 nan 0.000 0.432 401 A N 1.118 123.489 122.820 -0.748 0.000 1.917 401 A HA -0.192 4.129 4.320 0.002 0.000 0.219 401 A C 2.317 179.612 177.584 -0.481 0.000 1.182 401 A CA 2.193 53.815 52.037 -0.692 0.000 0.633 401 A CB -0.530 18.012 19.000 -0.764 0.000 0.819 401 A HN 0.613 nan 8.150 nan 0.000 0.448 402 A N -1.242 121.207 122.820 -0.618 0.000 2.168 402 A HA 0.183 4.504 4.320 0.002 0.000 0.215 402 A C 1.402 178.959 177.584 -0.046 0.000 1.152 402 A CA 0.762 52.608 52.037 -0.319 0.000 0.716 402 A CB -0.742 18.101 19.000 -0.262 0.000 0.794 402 A HN 0.603 nan 8.150 nan 0.000 0.465 403 F N -1.430 118.528 119.950 0.013 0.000 2.645 403 F HA 0.405 4.933 4.527 0.002 0.000 0.300 403 F C 1.995 177.849 175.800 0.090 0.000 1.115 403 F CA -0.075 57.962 58.000 0.062 0.000 1.355 403 F CB 0.045 39.061 39.000 0.027 0.000 1.026 403 F HN 0.221 nan 8.300 nan 0.000 0.536 404 A N 0.633 123.548 122.820 0.158 0.000 1.850 404 A HA -0.100 4.221 4.320 0.002 0.000 0.212 404 A C 1.989 179.649 177.584 0.127 0.000 1.208 404 A CA 0.822 52.935 52.037 0.127 0.000 0.609 404 A CB -0.454 18.598 19.000 0.086 0.000 0.860 404 A HN 0.380 nan 8.150 nan 0.000 0.448 405 Q N -1.892 117.994 119.800 0.143 0.000 2.415 405 Q HA 0.171 4.512 4.340 0.002 0.000 0.206 405 Q C -0.508 175.408 176.000 -0.140 0.000 0.946 405 Q CA 0.257 56.076 55.803 0.025 0.000 0.951 405 Q CB 0.049 28.805 28.738 0.031 0.000 1.026 405 Q HN 0.667 nan 8.270 nan 0.000 0.510 406 F N -0.964 119.027 119.950 0.068 0.000 2.815 406 F HA 0.314 4.842 4.527 0.002 0.000 0.335 406 F C 0.564 176.406 175.800 0.070 0.000 1.179 406 F CA -0.583 57.457 58.000 0.066 0.000 1.204 406 F CB 1.505 40.551 39.000 0.077 0.000 1.050 406 F HN -0.155 nan 8.300 nan 0.000 0.510 407 G N -0.274 108.629 108.800 0.171 0.000 2.788 407 G HA2 0.414 4.375 3.960 0.002 0.000 0.327 407 G HA3 0.414 4.375 3.960 0.002 0.000 0.327 407 G C 0.234 175.175 174.900 0.069 0.000 1.249 407 G CA -0.159 45.020 45.100 0.132 0.000 1.063 407 G HN 0.170 nan 8.290 nan 0.000 0.497 408 S N 1.571 117.302 115.700 0.051 0.000 2.452 408 S HA 0.014 4.485 4.470 0.002 0.000 0.225 408 S C 0.597 175.211 174.600 0.025 0.000 1.057 408 S CA 0.480 58.696 58.200 0.026 0.000 0.949 408 S CB 0.217 63.427 63.200 0.017 0.000 0.836 408 S HN 0.593 nan 8.310 nan 0.000 0.518 409 D N 1.811 122.226 120.400 0.026 0.000 3.088 409 D HA 0.412 5.053 4.640 0.002 0.000 0.310 409 D C -1.132 175.178 176.300 0.017 0.000 1.351 409 D CA -0.248 53.762 54.000 0.017 0.000 0.921 409 D CB 0.047 40.852 40.800 0.010 0.000 1.045 409 D HN 0.139 nan 8.370 nan 0.000 0.504 410 L N 0.752 121.992 121.223 0.029 0.000 2.357 410 L HA 0.328 4.669 4.340 0.002 0.000 0.273 410 L C 0.823 177.708 176.870 0.025 0.000 1.080 410 L CA -1.074 53.785 54.840 0.032 0.000 0.803 410 L CB 0.455 42.550 42.059 0.061 0.000 1.174 410 L HN 0.108 nan 8.230 nan 0.000 0.443 411 D N 1.304 121.716 120.400 0.020 0.000 2.361 411 D HA 0.071 4.712 4.640 0.002 0.000 0.239 411 D C 0.988 177.300 176.300 0.020 0.000 1.200 411 D CA 0.115 54.124 54.000 0.015 0.000 0.915 411 D CB 1.145 41.951 40.800 0.011 0.000 1.170 411 D HN 0.631 nan 8.370 nan 0.000 0.444 412 A N 1.484 124.312 122.820 0.013 0.000 1.917 412 A HA -0.155 4.166 4.320 0.002 0.000 0.219 412 A C 2.255 179.848 177.584 0.014 0.000 1.182 412 A CA 2.810 54.854 52.037 0.011 0.000 0.633 412 A CB -1.096 17.906 19.000 0.004 0.000 0.819 412 A HN 0.752 nan 8.150 nan 0.000 0.448 413 A N -0.381 122.449 122.820 0.015 0.000 1.865 413 A HA -0.146 4.174 4.320 0.002 0.000 0.217 413 A C 2.474 180.078 177.584 0.033 0.000 1.191 413 A CA 2.837 54.885 52.037 0.018 0.000 0.623 413 A CB -1.522 17.488 19.000 0.017 0.000 0.826 413 A HN 0.832 nan 8.150 nan 0.000 0.444 414 T N -2.275 112.308 114.554 0.047 0.000 2.867 414 T HA -0.154 4.197 4.350 0.002 0.000 0.268 414 T C 1.854 176.601 174.700 0.078 0.000 1.057 414 T CA 1.404 63.549 62.100 0.075 0.000 1.136 414 T CB -0.442 68.484 68.868 0.098 0.000 0.874 414 T HN 0.590 nan 8.240 nan 0.000 0.466 415 Q N 0.592 120.426 119.800 0.058 0.000 2.135 415 Q HA -0.199 4.142 4.340 0.002 0.000 0.204 415 Q C 2.484 178.507 176.000 0.038 0.000 0.981 415 Q CA 1.823 57.656 55.803 0.049 0.000 0.856 415 Q CB -0.241 28.516 28.738 0.031 0.000 0.902 415 Q HN 0.580 nan 8.270 nan 0.000 0.425 416 Q N 0.818 120.634 119.800 0.026 0.000 2.096 416 Q HA -0.071 4.270 4.340 0.002 0.000 0.197 416 Q C 1.839 177.848 176.000 0.015 0.000 0.964 416 Q CA 1.118 56.924 55.803 0.006 0.000 0.838 416 Q CB -0.133 28.601 28.738 -0.008 0.000 0.906 416 Q HN 0.367 nan 8.270 nan 0.000 0.444 417 L N -0.105 121.146 121.223 0.045 0.000 2.079 417 L HA -0.197 4.144 4.340 0.002 0.000 0.210 417 L C 2.323 179.279 176.870 0.143 0.000 1.081 417 L CA 1.046 55.933 54.840 0.078 0.000 0.752 417 L CB -0.548 41.568 42.059 0.095 0.000 0.896 417 L HN 0.295 nan 8.230 nan 0.000 0.433 418 L N -1.113 120.206 121.223 0.160 0.000 2.005 418 L HA -0.170 4.171 4.340 0.002 0.000 0.207 418 L C 2.770 179.670 176.870 0.050 0.000 1.072 418 L CA 1.092 56.071 54.840 0.231 0.000 0.744 418 L CB -0.539 41.628 42.059 0.180 0.000 0.895 418 L HN 0.148 nan 8.230 nan 0.000 0.433 419 S N -0.307 115.397 115.700 0.007 0.000 2.359 419 S HA -0.272 4.199 4.470 0.002 0.000 0.223 419 S C 2.058 176.589 174.600 -0.116 0.000 1.039 419 S CA 1.767 59.937 58.200 -0.049 0.000 1.042 419 S CB -0.321 62.856 63.200 -0.038 0.000 0.915 419 S HN 0.270 nan 8.310 nan 0.000 0.439 420 R N 1.423 121.856 120.500 -0.113 0.000 2.073 420 R HA -0.010 4.331 4.340 0.002 0.000 0.234 420 R C 2.320 178.464 176.300 -0.260 0.000 1.134 420 R CA 1.880 57.889 56.100 -0.152 0.000 0.952 420 R CB -1.315 28.920 30.300 -0.108 0.000 0.850 420 R HN 0.364 nan 8.270 nan 0.000 0.433 421 G N 0.099 108.662 108.800 -0.396 0.000 2.459 421 G HA2 -0.266 3.695 3.960 0.002 0.000 0.217 421 G HA3 -0.266 3.695 3.960 0.002 0.000 0.217 421 G C 1.475 175.770 174.900 -1.009 0.000 1.183 421 G CA 1.592 46.093 45.100 -0.998 0.000 0.776 421 G HN 0.375 nan 8.290 nan 0.000 0.552 422 V N -0.887 118.595 119.914 -0.720 0.000 2.490 422 V HA -0.047 4.074 4.120 0.002 0.000 0.250 422 V C 2.613 178.566 176.094 -0.234 0.000 1.061 422 V CA 2.229 64.311 62.300 -0.364 0.000 1.064 422 V CB -0.609 31.127 31.823 -0.144 0.000 0.670 422 V HN 0.283 nan 8.190 nan 0.000 0.461 423 R N 0.074 120.440 120.500 -0.223 0.000 2.062 423 R HA 0.240 4.581 4.340 0.002 0.000 0.226 423 R C 2.394 178.603 176.300 -0.151 0.000 1.125 423 R CA 1.616 57.618 56.100 -0.163 0.000 0.966 423 R CB -0.522 29.684 30.300 -0.157 0.000 0.861 423 R HN 0.471 nan 8.270 nan 0.000 0.433 424 L N -0.081 121.034 121.223 -0.179 0.000 2.042 424 L HA -0.202 4.139 4.340 0.002 0.000 0.210 424 L C 2.184 178.988 176.870 -0.111 0.000 1.076 424 L CA 1.496 56.255 54.840 -0.135 0.000 0.749 424 L CB -0.810 41.166 42.059 -0.138 0.000 0.893 424 L HN 0.280 nan 8.230 nan 0.000 0.432 425 T N -0.839 113.623 114.554 -0.153 0.000 2.684 425 T HA -0.173 4.178 4.350 0.002 0.000 0.267 425 T C 1.779 176.444 174.700 -0.057 0.000 1.036 425 T CA 1.267 63.312 62.100 -0.090 0.000 1.148 425 T CB -0.170 68.642 68.868 -0.094 0.000 0.863 425 T HN 0.312 nan 8.240 nan 0.000 0.436 426 E N 1.068 121.227 120.200 -0.067 0.000 2.160 426 E HA -0.027 4.324 4.350 0.002 0.000 0.195 426 E C 2.198 178.784 176.600 -0.024 0.000 0.991 426 E CA 0.723 57.100 56.400 -0.039 0.000 0.810 426 E CB -0.365 29.311 29.700 -0.039 0.000 0.742 426 E HN 0.482 nan 8.360 nan 0.000 0.466 427 L N 0.278 121.483 121.223 -0.031 0.000 2.395 427 L HA -0.033 4.308 4.340 0.002 0.000 0.218 427 L C 2.206 179.075 176.870 -0.002 0.000 1.130 427 L CA 0.273 55.108 54.840 -0.008 0.000 0.826 427 L CB -0.136 41.915 42.059 -0.014 0.000 0.941 427 L HN 0.073 nan 8.230 nan 0.000 0.451 428 L N -0.559 120.656 121.223 -0.012 0.000 2.492 428 L HA 0.000 4.341 4.340 0.002 0.000 0.223 428 L C 0.824 177.689 176.870 -0.009 0.000 1.132 428 L CA 0.199 55.036 54.840 -0.005 0.000 0.850 428 L CB -0.189 41.868 42.059 -0.003 0.000 0.966 428 L HN 0.142 nan 8.230 nan 0.000 0.454 429 K N 1.291 121.682 120.400 -0.015 0.000 2.382 429 K HA 0.179 4.500 4.320 0.002 0.000 0.275 429 K C -0.158 176.429 176.600 -0.021 0.000 1.009 429 K CA 0.313 56.584 56.287 -0.026 0.000 0.970 429 K CB 0.678 33.160 32.500 -0.030 0.000 0.934 429 K HN 0.007 nan 8.250 nan 0.000 0.479 430 Q N 0.426 120.205 119.800 -0.036 0.000 2.320 430 Q HA 0.294 4.635 4.340 0.002 0.000 0.272 430 Q C -0.817 175.149 176.000 -0.057 0.000 1.023 430 Q CA -0.606 55.178 55.803 -0.033 0.000 0.855 430 Q CB 1.899 30.622 28.738 -0.025 0.000 1.367 430 Q HN 0.814 nan 8.270 nan 0.000 0.406 431 G N 1.747 110.519 108.800 -0.047 0.000 2.594 431 G HA2 0.096 4.057 3.960 0.002 0.000 0.243 431 G HA3 0.096 4.057 3.960 0.002 0.000 0.243 431 G C -0.548 174.286 174.900 -0.109 0.000 1.229 431 G CA -0.142 44.919 45.100 -0.065 0.000 0.843 431 G HN 0.605 nan 8.290 nan 0.000 0.578 432 Q N -0.818 118.864 119.800 -0.198 0.000 2.354 432 Q HA 0.278 4.619 4.340 0.002 0.000 0.244 432 Q C -0.254 175.552 176.000 -0.323 0.000 0.969 432 Q CA -0.298 55.240 55.803 -0.441 0.000 0.885 432 Q CB 0.360 28.599 28.738 -0.831 0.000 1.241 432 Q HN 0.679 nan 8.270 nan 0.000 0.461 433 Y N -0.758 119.540 120.300 -0.004 0.000 4.798 433 Y HA -0.284 4.267 4.550 0.001 0.000 0.237 433 Y C -0.092 175.800 175.900 -0.015 0.000 1.017 433 Y CA 0.449 58.542 58.100 -0.011 0.000 2.010 433 Y CB -2.055 36.397 38.460 -0.014 0.000 1.582 433 Y HN 0.461 nan 8.280 nan 0.000 0.621 434 S N -0.400 115.341 115.700 0.069 0.000 2.128 434 S HA 0.391 4.862 4.470 0.002 0.000 0.157 434 S C -2.425 172.180 174.600 0.008 0.000 1.650 434 S CA -1.141 57.082 58.200 0.037 0.000 1.269 434 S CB 1.127 64.345 63.200 0.029 0.000 1.227 434 S HN 0.048 nan 8.310 nan 0.000 0.405 435 P HA 0.316 nan 4.420 nan 0.000 0.271 435 P C -0.680 176.607 177.300 -0.021 0.000 1.218 435 P CA -0.255 62.842 63.100 -0.005 0.000 0.780 435 P CB 0.582 32.283 31.700 0.000 0.000 0.901 436 M N 1.391 120.982 119.600 -0.016 0.000 2.436 436 M HA 0.499 4.980 4.480 0.002 0.000 0.331 436 M C 0.416 176.703 176.300 -0.022 0.000 1.135 436 M CA -0.927 54.360 55.300 -0.023 0.000 0.987 436 M CB 2.071 34.666 32.600 -0.009 0.000 1.687 436 M HN 0.333 nan 8.290 nan 0.000 0.445 437 A N 1.770 124.564 122.820 -0.042 0.000 2.555 437 A HA 0.056 4.377 4.320 0.002 0.000 0.233 437 A C 0.998 178.587 177.584 0.010 0.000 1.060 437 A CA -0.164 51.857 52.037 -0.026 0.000 0.759 437 A CB -0.032 18.939 19.000 -0.049 0.000 0.995 437 A HN 0.968 nan 8.150 nan 0.000 0.506 438 I N 0.824 121.420 120.570 0.043 0.000 2.361 438 I HA -0.209 3.962 4.170 0.002 0.000 0.251 438 I C 2.442 178.572 176.117 0.022 0.000 1.133 438 I CA 2.296 63.620 61.300 0.040 0.000 1.413 438 I CB -0.244 37.786 38.000 0.050 0.000 1.073 438 I HN 0.854 nan 8.210 nan 0.000 0.424 439 E N 0.267 120.472 120.200 0.010 0.000 2.152 439 E HA -0.240 4.111 4.350 0.002 0.000 0.192 439 E C 1.741 178.332 176.600 -0.015 0.000 0.983 439 E CA 1.295 57.692 56.400 -0.005 0.000 0.818 439 E CB -0.623 29.065 29.700 -0.019 0.000 0.758 439 E HN 0.628 nan 8.360 nan 0.000 0.467 440 E N 1.115 121.301 120.200 -0.023 0.000 2.072 440 E HA -0.165 4.186 4.350 0.002 0.000 0.191 440 E C 2.340 178.949 176.600 0.015 0.000 0.985 440 E CA 1.278 57.660 56.400 -0.029 0.000 0.801 440 E CB -0.078 29.595 29.700 -0.045 0.000 0.750 440 E HN 0.385 nan 8.360 nan 0.000 0.452 441 Q N 0.400 120.213 119.800 0.022 0.000 2.061 441 Q HA -0.165 4.176 4.340 0.002 0.000 0.204 441 Q C 2.656 178.693 176.000 0.063 0.000 0.984 441 Q CA 1.935 57.763 55.803 0.041 0.000 0.846 441 Q CB -0.438 28.320 28.738 0.033 0.000 0.902 441 Q HN 0.352 nan 8.270 nan 0.000 0.421 442 V N -1.185 118.763 119.914 0.058 0.000 2.490 442 V HA -0.134 3.987 4.120 0.002 0.000 0.250 442 V C 2.089 178.261 176.094 0.129 0.000 1.061 442 V CA 1.816 64.166 62.300 0.083 0.000 1.064 442 V CB -0.868 30.995 31.823 0.067 0.000 0.670 442 V HN 0.292 nan 8.190 nan 0.000 0.461 443 A N 0.080 122.961 122.820 0.102 0.000 1.898 443 A HA -0.030 4.291 4.320 0.002 0.000 0.216 443 A C 2.385 180.150 177.584 0.300 0.000 1.181 443 A CA 1.967 54.090 52.037 0.143 0.000 0.620 443 A CB -0.818 18.211 19.000 0.049 0.000 0.819 443 A HN 0.475 nan 8.150 nan 0.000 0.442 444 V N 0.380 120.447 119.914 0.255 0.000 2.295 444 V HA -0.270 3.851 4.120 0.002 0.000 0.246 444 V C 2.427 178.615 176.094 0.156 0.000 1.049 444 V CA 2.147 64.589 62.300 0.237 0.000 1.024 444 V CB -0.599 31.324 31.823 0.168 0.000 0.648 444 V HN 0.585 nan 8.190 nan 0.000 0.447 445 I N -1.225 119.425 120.570 0.134 0.000 2.315 445 I HA -0.275 3.896 4.170 0.002 0.000 0.248 445 I C 2.379 178.561 176.117 0.109 0.000 1.117 445 I CA 1.855 63.209 61.300 0.090 0.000 1.404 445 I CB -0.496 37.545 38.000 0.069 0.000 1.071 445 I HN 0.373 nan 8.210 nan 0.000 0.419 446 Y N 2.028 122.357 120.300 0.048 0.000 2.081 446 Y HA -0.390 4.161 4.550 0.002 0.000 0.280 446 Y C 2.627 178.574 175.900 0.079 0.000 1.163 446 Y CA 1.912 60.050 58.100 0.064 0.000 1.135 446 Y CB -0.302 38.214 38.460 0.092 0.000 0.970 446 Y HN 0.137 nan 8.280 nan 0.000 0.498 447 A N 0.024 123.025 122.820 0.302 0.000 1.948 447 A HA -0.181 4.140 4.320 0.002 0.000 0.220 447 A C 2.404 179.997 177.584 0.015 0.000 1.177 447 A CA 1.972 54.118 52.037 0.182 0.000 0.636 447 A CB -1.701 17.257 19.000 -0.070 0.000 0.815 447 A HN 0.649 nan 8.150 nan 0.000 0.449 448 G N -0.531 108.243 108.800 -0.043 0.000 2.404 448 G HA2 -0.020 3.941 3.960 0.002 0.000 0.213 448 G HA3 -0.020 3.941 3.960 0.002 0.000 0.213 448 G C 1.561 176.372 174.900 -0.147 0.000 1.189 448 G CA 1.514 46.552 45.100 -0.104 0.000 0.796 448 G HN 0.984 nan 8.290 nan 0.000 0.532 449 V N -1.633 118.193 119.914 -0.147 0.000 2.809 449 V HA 0.159 4.280 4.120 0.002 0.000 0.256 449 V C 2.112 178.043 176.094 -0.271 0.000 1.080 449 V CA 1.059 63.254 62.300 -0.177 0.000 1.102 449 V CB -0.374 31.370 31.823 -0.132 0.000 0.705 449 V HN 0.127 nan 8.190 nan 0.000 0.475 450 R N 0.966 121.230 120.500 -0.392 0.000 2.334 450 R HA 0.330 4.671 4.340 0.002 0.000 0.220 450 R C 1.768 177.676 176.300 -0.652 0.000 0.917 450 R CA 0.641 56.406 56.100 -0.559 0.000 1.073 450 R CB 0.002 29.827 30.300 -0.792 0.000 1.056 450 R HN 0.815 nan 8.270 nan 0.000 0.506 451 G N 0.514 109.054 108.800 -0.433 0.000 2.176 451 G HA2 -0.354 3.607 3.960 0.002 0.000 0.253 451 G HA3 -0.354 3.607 3.960 0.002 0.000 0.253 451 G C 0.716 175.424 174.900 -0.321 0.000 0.979 451 G CA 0.305 45.193 45.100 -0.354 0.000 0.641 451 G HN 0.433 nan 8.290 nan 0.000 0.530 452 Y N 0.152 120.356 120.300 -0.159 0.000 2.333 452 Y HA 0.130 4.681 4.550 0.002 0.000 0.290 452 Y C 2.630 178.394 175.900 -0.227 0.000 1.144 452 Y CA 1.415 59.422 58.100 -0.156 0.000 1.228 452 Y CB -0.011 38.371 38.460 -0.130 0.000 0.985 452 Y HN 0.370 nan 8.280 nan 0.000 0.542 453 L N -0.664 120.470 121.223 -0.148 0.000 2.667 453 L HA 0.048 4.388 4.340 0.002 0.000 0.232 453 L C 0.870 177.635 176.870 -0.175 0.000 1.138 453 L CA -0.067 54.618 54.840 -0.259 0.000 0.921 453 L CB -0.102 41.741 42.059 -0.360 0.000 1.180 453 L HN 0.069 nan 8.230 nan 0.000 0.487 454 D N 1.366 121.684 120.400 -0.137 0.000 2.263 454 D HA -0.142 4.499 4.640 0.002 0.000 0.208 454 D C 1.650 177.902 176.300 -0.080 0.000 0.971 454 D CA 1.325 55.259 54.000 -0.110 0.000 0.867 454 D CB 0.202 40.937 40.800 -0.109 0.000 0.929 454 D HN 0.282 nan 8.370 nan 0.000 0.492 455 K N -0.516 119.842 120.400 -0.069 0.000 2.358 455 K HA 0.130 4.451 4.320 0.002 0.000 0.200 455 K C 0.059 176.638 176.600 -0.035 0.000 1.030 455 K CA -0.454 55.808 56.287 -0.042 0.000 1.097 455 K CB 0.871 33.356 32.500 -0.024 0.000 0.862 455 K HN -0.027 nan 8.250 nan 0.000 0.534 456 L N 2.269 123.453 121.223 -0.064 0.000 2.331 456 L HA 0.126 4.467 4.340 0.002 0.000 0.278 456 L C 0.009 176.865 176.870 -0.024 0.000 1.106 456 L CA -0.072 54.741 54.840 -0.044 0.000 0.824 456 L CB 0.816 42.793 42.059 -0.136 0.000 1.142 456 L HN 0.058 nan 8.230 nan 0.000 0.443 457 E N 6.412 126.623 120.200 0.018 0.000 2.417 457 E HA 0.025 4.376 4.350 0.002 0.000 0.261 457 E C -1.732 174.881 176.600 0.021 0.000 1.000 457 E CA -1.182 55.229 56.400 0.019 0.000 0.919 457 E CB 1.007 30.726 29.700 0.032 0.000 0.955 457 E HN 0.525 nan 8.360 nan 0.000 0.455 458 P HA -0.193 nan 4.420 nan 0.000 0.218 458 P C 1.136 178.448 177.300 0.020 0.000 1.148 458 P CA 1.379 64.475 63.100 -0.006 0.000 0.822 458 P CB 0.134 31.825 31.700 -0.015 0.000 0.784 459 S N -0.971 114.750 115.700 0.035 0.000 2.474 459 S HA -0.084 4.387 4.470 0.002 0.000 0.235 459 S C 1.565 176.216 174.600 0.085 0.000 0.997 459 S CA 0.997 59.226 58.200 0.048 0.000 0.949 459 S CB -0.746 62.478 63.200 0.040 0.000 0.766 459 S HN 0.186 nan 8.310 nan 0.000 0.517 460 K N 0.309 120.781 120.400 0.120 0.000 2.367 460 K HA 0.356 4.677 4.320 0.002 0.000 0.194 460 K C 1.445 178.192 176.600 0.245 0.000 1.027 460 K CA -0.030 56.398 56.287 0.234 0.000 1.075 460 K CB 0.032 32.730 32.500 0.330 0.000 0.845 460 K HN 0.272 nan 8.250 nan 0.000 0.529 461 I N 1.647 122.288 120.570 0.119 0.000 2.163 461 I HA -0.287 3.884 4.170 0.002 0.000 0.243 461 I C 2.513 178.707 176.117 0.128 0.000 1.085 461 I CA 2.039 63.383 61.300 0.073 0.000 1.347 461 I CB -1.738 36.260 38.000 -0.002 0.000 1.044 461 I HN 0.308 nan 8.210 nan 0.000 0.408 462 T N -0.834 113.784 114.554 0.105 0.000 2.759 462 T HA -0.247 4.104 4.350 0.002 0.000 0.269 462 T C 1.957 176.737 174.700 0.133 0.000 1.042 462 T CA 1.465 63.623 62.100 0.097 0.000 1.140 462 T CB -0.340 68.566 68.868 0.062 0.000 0.864 462 T HN 0.291 nan 8.240 nan 0.000 0.455 463 K N -0.296 120.220 120.400 0.193 0.000 2.057 463 K HA -0.038 4.283 4.320 0.002 0.000 0.206 463 K C 2.072 178.829 176.600 0.260 0.000 1.050 463 K CA 1.234 57.680 56.287 0.266 0.000 0.935 463 K CB -0.363 32.361 32.500 0.373 0.000 0.715 463 K HN 0.452 nan 8.250 nan 0.000 0.439 464 F N 2.189 122.106 119.950 -0.055 0.000 2.102 464 F HA -0.209 4.319 4.527 0.001 0.000 0.298 464 F C 2.345 178.074 175.800 -0.117 0.000 1.105 464 F CA 2.074 59.766 58.000 -0.513 0.000 1.239 464 F CB -0.239 38.306 39.000 -0.759 0.000 0.991 464 F HN 0.165 nan 8.300 nan 0.000 0.474 465 E N 0.203 120.480 120.200 0.127 0.000 2.058 465 E HA -0.336 4.015 4.350 0.002 0.000 0.194 465 E C 2.056 178.680 176.600 0.040 0.000 0.997 465 E CA 1.641 58.111 56.400 0.117 0.000 0.801 465 E CB -0.495 29.294 29.700 0.147 0.000 0.746 465 E HN 0.514 nan 8.360 nan 0.000 0.450 466 N N 0.125 118.854 118.700 0.048 0.000 2.069 466 N HA -0.181 4.560 4.740 0.002 0.000 0.191 466 N C 1.637 177.161 175.510 0.023 0.000 1.031 466 N CA 2.072 55.146 53.050 0.039 0.000 0.852 466 N CB -0.300 38.225 38.487 0.064 0.000 1.018 466 N HN 0.264 nan 8.380 nan 0.000 0.423 467 A N -0.550 122.303 122.820 0.056 0.000 1.897 467 A HA -0.022 4.299 4.320 0.002 0.000 0.215 467 A C 2.143 179.731 177.584 0.006 0.000 1.181 467 A CA 1.062 53.181 52.037 0.137 0.000 0.620 467 A CB -1.132 18.060 19.000 0.320 0.000 0.821 467 A HN 0.480 nan 8.150 nan 0.000 0.443 468 F N 0.298 119.920 119.950 -0.546 0.000 2.095 468 F HA -0.167 4.361 4.527 0.001 0.000 0.298 468 F C 1.821 177.298 175.800 -0.539 0.000 1.104 468 F CA 1.848 59.173 58.000 -1.126 0.000 1.232 468 F CB -0.425 37.795 39.000 -1.301 0.000 0.987 468 F HN 0.181 nan 8.300 nan 0.000 0.475 469 L N 0.043 121.028 121.223 -0.396 0.000 2.017 469 L HA -0.183 4.158 4.340 0.002 0.000 0.208 469 L C 2.546 179.247 176.870 -0.282 0.000 1.073 469 L CA 2.080 56.704 54.840 -0.359 0.000 0.745 469 L CB -1.076 40.907 42.059 -0.127 0.000 0.894 469 L HN 0.141 nan 8.230 nan 0.000 0.432 470 S N -1.534 114.072 115.700 -0.157 0.000 2.374 470 S HA -0.306 4.165 4.470 0.002 0.000 0.227 470 S C 1.943 176.490 174.600 -0.089 0.000 1.037 470 S CA 1.624 59.774 58.200 -0.083 0.000 1.024 470 S CB -0.619 62.580 63.200 -0.001 0.000 0.861 470 S HN 0.712 nan 8.310 nan 0.000 0.456 471 H N 1.431 120.369 119.070 -0.221 0.000 2.333 471 H HA -0.005 4.552 4.556 0.002 0.000 0.302 471 H C 2.102 177.305 175.328 -0.208 0.000 1.075 471 H CA 1.832 57.778 56.048 -0.169 0.000 1.348 471 H CB -0.460 29.230 29.762 -0.118 0.000 1.393 471 H HN 0.218 nan 8.280 nan 0.000 0.509 472 V N -0.693 118.896 119.914 -0.540 0.000 2.427 472 V HA -0.147 3.974 4.120 0.002 0.000 0.248 472 V C 2.340 178.247 176.094 -0.312 0.000 1.051 472 V CA 1.923 63.934 62.300 -0.481 0.000 1.048 472 V CB -0.866 30.573 31.823 -0.640 0.000 0.666 472 V HN 0.446 nan 8.190 nan 0.000 0.456 473 I N 1.068 121.473 120.570 -0.275 0.000 2.208 473 I HA -0.216 3.955 4.170 0.002 0.000 0.245 473 I C 2.926 178.940 176.117 -0.173 0.000 1.097 473 I CA 2.105 63.292 61.300 -0.188 0.000 1.363 473 I CB -0.467 37.443 38.000 -0.149 0.000 1.051 473 I HN 0.479 nan 8.210 nan 0.000 0.413 474 S N -0.067 115.521 115.700 -0.187 0.000 2.335 474 S HA -0.150 4.321 4.470 0.002 0.000 0.217 474 S C 1.956 176.422 174.600 -0.224 0.000 1.032 474 S CA 1.189 59.293 58.200 -0.160 0.000 0.985 474 S CB -0.039 63.100 63.200 -0.102 0.000 0.896 474 S HN 0.412 nan 8.310 nan 0.000 0.445 475 Q N -1.054 118.524 119.800 -0.370 0.000 2.402 475 Q HA 0.108 4.449 4.340 0.002 0.000 0.206 475 Q C -0.042 175.538 176.000 -0.699 0.000 0.919 475 Q CA 0.506 55.995 55.803 -0.523 0.000 0.923 475 Q CB 0.331 28.680 28.738 -0.647 0.000 1.048 475 Q HN 0.685 nan 8.270 nan 0.000 0.515 476 H N -0.594 118.295 119.070 -0.302 0.000 2.551 476 H HA 0.112 4.669 4.556 0.002 0.000 0.238 476 H C 0.666 175.879 175.328 -0.192 0.000 1.345 476 H CA -0.193 55.713 56.048 -0.237 0.000 1.105 476 H CB 0.775 30.370 29.762 -0.279 0.000 1.805 476 H HN -0.032 nan 8.280 nan 0.000 0.553 477 Q N 1.347 121.087 119.800 -0.101 0.000 2.084 477 Q HA -0.074 4.267 4.340 0.002 0.000 0.202 477 Q C 2.230 178.195 176.000 -0.059 0.000 0.978 477 Q CA 1.765 57.517 55.803 -0.085 0.000 0.844 477 Q CB -0.108 28.577 28.738 -0.088 0.000 0.898 477 Q HN 0.639 nan 8.270 nan 0.000 0.426 478 A N 0.359 123.151 122.820 -0.048 0.000 1.908 478 A HA -0.182 4.139 4.320 0.002 0.000 0.218 478 A C 2.099 179.667 177.584 -0.028 0.000 1.181 478 A CA 1.467 53.485 52.037 -0.032 0.000 0.627 478 A CB -0.864 18.121 19.000 -0.024 0.000 0.818 478 A HN 0.497 nan 8.150 nan 0.000 0.445 479 L N -0.686 120.525 121.223 -0.019 0.000 2.027 479 L HA -0.134 4.207 4.340 0.002 0.000 0.206 479 L C 2.490 179.320 176.870 -0.067 0.000 1.074 479 L CA 1.537 56.348 54.840 -0.047 0.000 0.745 479 L CB -0.347 41.666 42.059 -0.075 0.000 0.898 479 L HN 0.438 nan 8.230 nan 0.000 0.433 480 L N -0.259 120.920 121.223 -0.072 0.000 2.046 480 L HA -0.199 4.142 4.340 0.002 0.000 0.208 480 L C 3.061 179.900 176.870 -0.052 0.000 1.077 480 L CA 1.300 56.095 54.840 -0.074 0.000 0.747 480 L CB -0.938 41.069 42.059 -0.087 0.000 0.896 480 L HN 0.405 nan 8.230 nan 0.000 0.432 481 S N 0.470 116.143 115.700 -0.046 0.000 2.368 481 S HA -0.293 4.178 4.470 0.002 0.000 0.226 481 S C 2.152 176.735 174.600 -0.029 0.000 1.044 481 S CA 2.039 60.218 58.200 -0.034 0.000 1.062 481 S CB -0.392 nan 63.200 nan 0.000 0.931 481 S HN 0.314 nan 8.310 nan 0.000 0.440 482 K N 0.053 120.434 120.400 -0.032 0.000 2.148 482 K HA 0.105 4.426 4.320 0.002 0.000 0.204 482 K C 1.924 178.508 176.600 -0.027 0.000 1.050 482 K CA 1.107 57.377 56.287 -0.027 0.000 0.942 482 K CB -0.297 32.186 32.500 -0.028 0.000 0.724 482 K HN 0.545 nan 8.250 nan 0.000 0.446 483 I N 0.612 121.160 120.570 -0.036 0.000 2.286 483 I HA -0.277 3.894 4.170 0.002 0.000 0.248 483 I C 2.641 178.748 176.117 -0.016 0.000 1.115 483 I CA 1.059 62.341 61.300 -0.030 0.000 1.392 483 I CB -0.188 37.785 38.000 -0.043 0.000 1.065 483 I HN 0.156 nan 8.210 nan 0.000 0.418 484 R N 0.531 121.021 120.500 -0.016 0.000 2.062 484 R HA -0.116 4.225 4.340 0.002 0.000 0.229 484 R C 2.245 178.541 176.300 -0.007 0.000 1.128 484 R CA 1.918 58.014 56.100 -0.007 0.000 0.960 484 R CB -0.244 30.053 30.300 -0.005 0.000 0.855 484 R HN 0.193 nan 8.270 nan 0.000 0.432 485 T N 1.134 115.682 114.554 -0.010 0.000 2.770 485 T HA -0.074 4.277 4.350 0.002 0.000 0.263 485 T C 1.065 175.760 174.700 -0.008 0.000 1.039 485 T CA 1.385 63.480 62.100 -0.009 0.000 1.142 485 T CB -0.292 68.570 68.868 -0.011 0.000 0.868 485 T HN 0.276 nan 8.240 nan 0.000 0.435 486 D N 0.253 120.648 120.400 -0.008 0.000 2.350 486 D HA 0.076 4.717 4.640 0.002 0.000 0.216 486 D C 1.876 178.174 176.300 -0.003 0.000 0.968 486 D CA 1.058 55.055 54.000 -0.005 0.000 0.894 486 D CB -0.349 40.448 40.800 -0.005 0.000 0.909 486 D HN 0.553 nan 8.370 nan 0.000 0.520 487 G N 0.791 109.589 108.800 -0.004 0.000 2.498 487 G HA2 -0.360 3.601 3.960 0.002 0.000 0.229 487 G HA3 -0.360 3.601 3.960 0.002 0.000 0.229 487 G C 0.681 175.583 174.900 0.003 0.000 1.156 487 G CA 1.002 46.101 45.100 -0.002 0.000 0.680 487 G HN 0.566 nan 8.290 nan 0.000 0.512 488 K N -0.400 120.004 120.400 0.007 0.000 2.082 488 K HA 0.845 5.166 4.320 0.002 0.000 0.246 488 K C -0.447 176.163 176.600 0.017 0.000 1.061 488 K CA -1.082 55.214 56.287 0.016 0.000 0.952 488 K CB 1.018 33.529 32.500 0.019 0.000 1.513 488 K HN 0.241 nan 8.250 nan 0.000 0.631 489 I N 2.606 123.195 120.570 0.032 0.000 2.359 489 I HA 0.172 4.343 4.170 0.002 0.000 0.284 489 I C -0.176 175.962 176.117 0.035 0.000 1.018 489 I CA -0.647 60.671 61.300 0.030 0.000 1.173 489 I CB 1.688 39.730 38.000 0.070 0.000 1.326 489 I HN 0.750 nan 8.210 nan 0.000 0.462 490 S N 3.696 119.405 115.700 0.016 0.000 2.641 490 S HA 0.234 4.705 4.470 0.002 0.000 0.261 490 S C 0.966 175.583 174.600 0.028 0.000 1.257 490 S CA -0.533 57.678 58.200 0.019 0.000 0.983 490 S CB 0.968 64.172 63.200 0.008 0.000 0.990 490 S HN 0.639 nan 8.310 nan 0.000 0.572 491 E N 0.315 120.532 120.200 0.028 0.000 2.153 491 E HA -0.194 4.157 4.350 0.002 0.000 0.194 491 E C 1.963 178.580 176.600 0.028 0.000 0.988 491 E CA 1.305 57.726 56.400 0.035 0.000 0.811 491 E CB -0.112 29.606 29.700 0.029 0.000 0.746 491 E HN 0.827 nan 8.360 nan 0.000 0.466 492 E N 0.429 120.637 120.200 0.013 0.000 2.028 492 E HA -0.128 4.223 4.350 0.002 0.000 0.190 492 E C 2.118 178.710 176.600 -0.013 0.000 0.984 492 E CA 1.072 57.474 56.400 0.004 0.000 0.800 492 E CB 0.116 29.816 29.700 -0.000 0.000 0.758 492 E HN -0.019 nan 8.360 nan 0.000 0.448 493 S N 0.811 116.495 115.700 -0.027 0.000 2.383 493 S HA -0.190 4.281 4.470 0.002 0.000 0.229 493 S C 1.573 176.113 174.600 -0.100 0.000 1.030 493 S CA 1.292 59.449 58.200 -0.071 0.000 1.002 493 S CB -0.330 62.826 63.200 -0.073 0.000 0.829 493 S HN 0.358 nan 8.310 nan 0.000 0.467 494 D N 1.121 121.506 120.400 -0.026 0.000 2.117 494 D HA -0.009 4.632 4.640 0.002 0.000 0.198 494 D C 2.023 178.364 176.300 0.068 0.000 0.982 494 D CA 1.136 55.167 54.000 0.052 0.000 0.828 494 D CB -0.143 40.744 40.800 0.145 0.000 0.967 494 D HN 0.370 nan 8.370 nan 0.000 0.464 495 A N 0.340 123.184 122.820 0.041 0.000 1.968 495 A HA -0.125 4.196 4.320 0.002 0.000 0.217 495 A C 2.130 179.716 177.584 0.005 0.000 1.169 495 A CA 1.448 53.509 52.037 0.041 0.000 0.638 495 A CB -0.237 18.784 19.000 0.034 0.000 0.812 495 A HN 0.094 nan 8.150 nan 0.000 0.446 496 K N -0.087 120.290 120.400 -0.038 0.000 2.007 496 K HA 0.077 4.398 4.320 0.002 0.000 0.206 496 K C 1.766 178.291 176.600 -0.126 0.000 1.047 496 K CA 1.194 57.434 56.287 -0.078 0.000 0.937 496 K CB -0.450 31.990 32.500 -0.100 0.000 0.718 496 K HN 0.409 nan 8.250 nan 0.000 0.438 497 L N 0.796 121.917 121.223 -0.169 0.000 2.046 497 L HA -0.196 4.145 4.340 0.002 0.000 0.208 497 L C 2.494 179.293 176.870 -0.118 0.000 1.077 497 L CA 1.541 56.257 54.840 -0.208 0.000 0.747 497 L CB -0.409 41.346 42.059 -0.506 0.000 0.896 497 L HN 0.243 nan 8.230 nan 0.000 0.432 498 K N -0.135 120.254 120.400 -0.017 0.000 2.044 498 K HA -0.232 4.089 4.320 0.002 0.000 0.210 498 K C 1.965 178.501 176.600 -0.108 0.000 1.049 498 K CA 1.685 57.955 56.287 -0.029 0.000 0.927 498 K CB 0.108 32.701 32.500 0.156 0.000 0.713 498 K HN 0.216 nan 8.250 nan 0.000 0.443 499 E N 0.427 120.603 120.200 -0.040 0.000 2.122 499 E HA -0.071 4.280 4.350 0.002 0.000 0.190 499 E C 2.129 178.732 176.600 0.006 0.000 0.977 499 E CA 0.759 57.154 56.400 -0.008 0.000 0.820 499 E CB -0.139 29.570 29.700 0.015 0.000 0.770 499 E HN 0.422 nan 8.360 nan 0.000 0.462 500 I N 0.693 121.247 120.570 -0.026 0.000 2.127 500 I HA -0.253 3.918 4.170 0.002 0.000 0.241 500 I C 2.385 178.586 176.117 0.141 0.000 1.075 500 I CA 0.924 62.246 61.300 0.036 0.000 1.334 500 I CB -0.318 37.608 38.000 -0.123 0.000 1.040 500 I HN -0.072 nan 8.210 nan 0.000 0.405 501 V N 0.856 120.785 119.914 0.026 0.000 2.261 501 V HA -0.283 3.838 4.120 0.002 0.000 0.246 501 V C 2.721 178.822 176.094 0.011 0.000 1.047 501 V CA 2.564 64.850 62.300 -0.023 0.000 1.015 501 V CB -1.187 30.398 31.823 -0.395 0.000 0.642 501 V HN 0.649 nan 8.190 nan 0.000 0.446 502 T N -1.683 112.805 114.554 -0.111 0.000 2.788 502 T HA -0.186 4.165 4.350 0.002 0.000 0.268 502 T C 1.738 176.490 174.700 0.088 0.000 1.044 502 T CA 1.627 63.724 62.100 -0.004 0.000 1.139 502 T CB -0.444 68.425 68.868 0.002 0.000 0.867 502 T HN 0.407 nan 8.240 nan 0.000 0.454 503 N N 0.492 119.253 118.700 0.103 0.000 2.171 503 N HA 0.056 4.797 4.740 0.002 0.000 0.184 503 N C 1.512 177.111 175.510 0.148 0.000 1.021 503 N CA 0.913 54.030 53.050 0.112 0.000 0.854 503 N CB -0.482 38.066 38.487 0.103 0.000 0.994 503 N HN 0.445 nan 8.380 nan 0.000 0.426 504 F N 1.750 121.744 119.950 0.074 0.000 2.134 504 F HA -0.125 4.403 4.527 0.002 0.000 0.299 504 F C 2.207 178.122 175.800 0.193 0.000 1.097 504 F CA 0.752 58.803 58.000 0.086 0.000 1.264 504 F CB -0.220 38.847 39.000 0.112 0.000 1.001 504 F HN -0.061 nan 8.300 nan 0.000 0.479 505 L N 0.611 122.096 121.223 0.435 0.000 2.046 505 L HA -0.031 4.309 4.340 0.002 0.000 0.208 505 L C 2.389 179.410 176.870 0.251 0.000 1.077 505 L CA 2.052 57.149 54.840 0.428 0.000 0.747 505 L CB -1.200 41.015 42.059 0.260 0.000 0.896 505 L HN 0.120 nan 8.230 nan 0.000 0.432 506 A N -0.646 122.261 122.820 0.145 0.000 1.969 506 A HA -0.001 4.320 4.320 0.002 0.000 0.218 506 A C 2.296 179.905 177.584 0.042 0.000 1.169 506 A CA 1.293 53.381 52.037 0.085 0.000 0.635 506 A CB -1.443 17.593 19.000 0.061 0.000 0.810 506 A HN 0.530 nan 8.150 nan 0.000 0.445 507 G N -1.369 107.429 108.800 -0.004 0.000 2.408 507 G HA2 -0.177 3.784 3.960 0.002 0.000 0.217 507 G HA3 -0.177 3.784 3.960 0.002 0.000 0.217 507 G C 1.425 176.274 174.900 -0.085 0.000 1.150 507 G CA 1.032 46.079 45.100 -0.088 0.000 0.776 507 G HN 0.471 nan 8.290 nan 0.000 0.542 508 F N 1.367 121.186 119.950 -0.218 0.000 2.134 508 F HA 0.037 4.564 4.527 0.002 0.000 0.299 508 F C 2.432 178.215 175.800 -0.028 0.000 1.097 508 F CA 1.670 59.591 58.000 -0.132 0.000 1.264 508 F CB 0.119 39.144 39.000 0.043 0.000 1.001 508 F HN 0.210 nan 8.300 nan 0.000 0.479 509 E N 0.401 120.651 120.200 0.082 0.000 2.489 509 E HA 0.182 4.533 4.350 0.002 0.000 0.193 509 E C 0.910 177.479 176.600 -0.051 0.000 1.057 509 E CA 0.006 56.402 56.400 -0.005 0.000 0.866 509 E CB 0.011 29.765 29.700 0.090 0.000 0.916 509 E HN 0.382 nan 8.360 nan 0.000 0.500 510 A N 0.000 122.783 122.820 -0.062 0.000 2.254 510 A HA 0.000 4.321 4.320 0.002 0.000 0.244 510 A CA 0.000 52.003 52.037 -0.057 0.000 0.836 510 A CB 0.000 18.967 19.000 -0.056 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486