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 1tqq_1_C DATA FIRST_RESID 1 DATA SEQUENCE ENLMQVYQQA RLSNPELRKS AADRDAAFEK INEARSPLLP QLGLGADYTY DATA SEQUENCE SNGYRDANGI NSNATSASLQ LTQSIFDMSK WRALTLQEKA AGIQDVTYQT DATA SEQUENCE DQQTLILNTA TAYFNVLNAI DVLSYTQAQK EAIYRQLDQT TQRFNVGLVA DATA SEQUENCE ITDVQNARAQ YDTVLANELT ARNNLDNAVE QLRQITGNYY PELAALNVEN DATA SEQUENCE FKTDKPQPVN ALLKEAEKRN LSLLQARLSQ DLAREQIRQA QDGHLPTLDL DATA SEQUENCE TASTGISDTS YSGSKTRGAA GTQYDDSNMG QNKVGLSFSL PIYQGGMVNS DATA SEQUENCE QVKQAQYNFV GASEQLESAH RSVVQTVRSS FNNINASISS INAYKQAVVS DATA SEQUENCE AQSSLDAMEA GYSVGTRTIV DVLDATTTLY NAKQELANAR YNYLINQLNI DATA SEQUENCE KSALGTLNEQ DLLALNNALS KPVSTNPE 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.648 176.600 0.080 0.000 1.382 1 E CA 0.000 56.473 56.400 0.122 0.000 0.976 1 E CB 0.000 29.771 29.700 0.118 0.000 0.812 2 N N 1.848 120.586 118.700 0.064 0.000 2.379 2 N HA 0.081 4.821 4.740 -0.000 0.000 0.260 2 N C 1.093 176.518 175.510 -0.141 0.000 1.254 2 N CA 0.190 53.263 53.050 0.039 0.000 0.958 2 N CB 0.579 39.077 38.487 0.019 0.000 1.208 2 N HN 0.238 nan 8.380 nan 0.000 0.532 3 L N -0.498 120.458 121.223 -0.444 0.000 2.109 3 L HA 0.100 4.440 4.340 -0.000 0.000 0.207 3 L C 2.059 178.710 176.870 -0.364 0.000 1.086 3 L CA 1.461 55.785 54.840 -0.860 0.000 0.760 3 L CB -0.814 40.499 42.059 -1.243 0.000 0.910 3 L HN 0.622 nan 8.230 nan 0.000 0.437 4 M N 0.019 119.501 119.600 -0.197 0.000 2.073 4 M HA -0.281 4.199 4.480 -0.000 0.000 0.258 4 M C 2.297 178.598 176.300 0.003 0.000 1.070 4 M CA 2.028 57.298 55.300 -0.049 0.000 1.103 4 M CB -0.798 31.786 32.600 -0.028 0.000 1.321 4 M HN 0.453 nan 8.290 nan 0.000 0.405 5 Q N -1.562 118.228 119.800 -0.016 0.000 2.167 5 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 5 Q C 1.987 178.011 176.000 0.041 0.000 0.970 5 Q CA 1.511 57.329 55.803 0.024 0.000 0.855 5 Q CB -0.253 28.516 28.738 0.052 0.000 0.911 5 Q HN 0.391 nan 8.270 nan 0.000 0.438 6 V N -0.087 119.809 119.914 -0.031 0.000 2.379 6 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 6 V C 1.853 177.970 176.094 0.039 0.000 1.044 6 V CA 1.631 63.906 62.300 -0.042 0.000 1.036 6 V CB -0.554 31.119 31.823 -0.249 0.000 0.664 6 V HN 0.382 nan 8.190 nan 0.000 0.453 7 Y N 1.169 121.406 120.300 -0.104 0.000 2.242 7 Y HA -0.178 4.372 4.550 -0.000 0.000 0.291 7 Y C 2.630 178.511 175.900 -0.031 0.000 1.137 7 Y CA 1.422 59.477 58.100 -0.075 0.000 1.181 7 Y CB -0.204 38.188 38.460 -0.113 0.000 0.989 7 Y HN 0.243 nan 8.280 nan 0.000 0.527 8 Q N 0.442 120.134 119.800 -0.181 0.000 2.061 8 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 8 Q C 2.135 178.028 176.000 -0.178 0.000 0.984 8 Q CA 2.121 57.785 55.803 -0.232 0.000 0.846 8 Q CB -0.633 28.061 28.738 -0.072 0.000 0.902 8 Q HN 0.649 nan 8.270 nan 0.000 0.421 9 Q N -0.002 119.760 119.800 -0.062 0.000 2.291 9 Q HA -0.033 4.307 4.340 -0.000 0.000 0.205 9 Q C 1.909 177.886 176.000 -0.039 0.000 0.970 9 Q CA 1.173 56.967 55.803 -0.015 0.000 0.876 9 Q CB -0.057 28.727 28.738 0.077 0.000 0.935 9 Q HN 0.403 nan 8.270 nan 0.000 0.455 10 A N 0.679 123.451 122.820 -0.080 0.000 1.903 10 A HA -0.094 4.226 4.320 -0.000 0.000 0.213 10 A C 1.966 179.463 177.584 -0.145 0.000 1.185 10 A CA 0.732 52.727 52.037 -0.069 0.000 0.628 10 A CB -0.271 18.723 19.000 -0.011 0.000 0.830 10 A HN 0.147 nan 8.150 nan 0.000 0.446 11 R N -0.202 120.093 120.500 -0.340 0.000 2.105 11 R HA -0.112 4.228 4.340 -0.000 0.000 0.239 11 R C 1.897 178.108 176.300 -0.148 0.000 1.135 11 R CA 1.591 57.496 56.100 -0.325 0.000 0.967 11 R CB -0.439 29.515 30.300 -0.577 0.000 0.861 11 R HN 0.556 nan 8.270 nan 0.000 0.442 12 L N -0.269 120.880 121.223 -0.123 0.000 2.056 12 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 12 L C 2.131 178.982 176.870 -0.033 0.000 1.078 12 L CA 1.688 56.491 54.840 -0.062 0.000 0.749 12 L CB -0.234 41.794 42.059 -0.051 0.000 0.901 12 L HN 0.240 nan 8.230 nan 0.000 0.433 13 S N -2.803 112.880 115.700 -0.030 0.000 2.603 13 S HA 0.053 4.523 4.470 -0.000 0.000 0.232 13 S C 0.618 175.220 174.600 0.003 0.000 1.016 13 S CA -0.604 57.590 58.200 -0.010 0.000 0.976 13 S CB -0.436 62.759 63.200 -0.008 0.000 0.921 13 S HN 0.304 nan 8.310 nan 0.000 0.516 14 N N 3.684 122.385 118.700 0.002 0.000 2.427 14 N HA 0.095 4.835 4.740 -0.000 0.000 0.269 14 N C -1.482 174.045 175.510 0.029 0.000 1.235 14 N CA -1.025 52.036 53.050 0.018 0.000 0.934 14 N CB 1.172 39.670 38.487 0.019 0.000 1.121 14 N HN 0.185 nan 8.380 nan 0.000 0.480 15 P HA -0.122 nan 4.420 nan 0.000 0.216 15 P C 0.604 177.928 177.300 0.040 0.000 1.150 15 P CA 1.275 64.394 63.100 0.031 0.000 0.837 15 P CB 0.432 32.147 31.700 0.025 0.000 0.786 16 E N -0.295 119.929 120.200 0.041 0.000 2.077 16 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 16 E C 2.113 178.753 176.600 0.066 0.000 0.989 16 E CA 0.655 57.083 56.400 0.046 0.000 0.800 16 E CB -1.034 28.689 29.700 0.039 0.000 0.746 16 E HN 0.146 nan 8.360 nan 0.000 0.452 17 L N 0.129 121.393 121.223 0.069 0.000 2.044 17 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 17 L C 2.157 179.133 176.870 0.177 0.000 1.075 17 L CA 1.414 56.316 54.840 0.104 0.000 0.747 17 L CB -0.134 41.965 42.059 0.066 0.000 0.903 17 L HN 0.090 nan 8.230 nan 0.000 0.435 18 R N -0.000 120.569 120.500 0.116 0.000 2.115 18 R HA -0.224 4.116 4.340 -0.000 0.000 0.230 18 R C 2.210 178.556 176.300 0.077 0.000 1.111 18 R CA 1.625 57.783 56.100 0.098 0.000 0.976 18 R CB -0.059 30.273 30.300 0.054 0.000 0.870 18 R HN 0.270 nan 8.270 nan 0.000 0.445 19 K N 0.028 120.472 120.400 0.073 0.000 2.057 19 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 19 K C 2.055 178.701 176.600 0.076 0.000 1.050 19 K CA 1.880 58.202 56.287 0.058 0.000 0.935 19 K CB -0.308 32.221 32.500 0.048 0.000 0.715 19 K HN -0.052 nan 8.250 nan 0.000 0.439 20 S N -0.373 115.405 115.700 0.131 0.000 2.383 20 S HA -0.110 4.360 4.470 -0.000 0.000 0.229 20 S C 1.962 176.657 174.600 0.158 0.000 1.030 20 S CA 1.204 59.517 58.200 0.190 0.000 1.002 20 S CB -0.531 62.837 63.200 0.281 0.000 0.829 20 S HN 0.510 nan 8.310 nan 0.000 0.467 21 A N 1.101 123.977 122.820 0.093 0.000 1.933 21 A HA 0.224 4.544 4.320 -0.000 0.000 0.218 21 A C 2.433 179.922 177.584 -0.159 0.000 1.175 21 A CA 1.734 53.612 52.037 -0.265 0.000 0.628 21 A CB -1.254 17.652 19.000 -0.157 0.000 0.814 21 A HN 0.738 nan 8.150 nan 0.000 0.444 22 A N 0.017 122.808 122.820 -0.048 0.000 1.969 22 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 22 A C 1.676 179.254 177.584 -0.011 0.000 1.169 22 A CA 1.828 53.849 52.037 -0.026 0.000 0.635 22 A CB -0.487 18.511 19.000 -0.004 0.000 0.810 22 A HN 0.445 nan 8.150 nan 0.000 0.445 23 D N -0.863 119.541 120.400 0.007 0.000 2.183 23 D HA -0.097 4.543 4.640 -0.000 0.000 0.203 23 D C 2.077 178.392 176.300 0.025 0.000 0.969 23 D CA 0.804 54.816 54.000 0.021 0.000 0.842 23 D CB -0.275 40.550 40.800 0.041 0.000 0.957 23 D HN 0.395 nan 8.370 nan 0.000 0.484 24 R N 0.699 121.204 120.500 0.008 0.000 2.062 24 R HA -0.101 4.239 4.340 -0.000 0.000 0.229 24 R C 1.125 177.489 176.300 0.107 0.000 1.128 24 R CA 1.089 57.218 56.100 0.048 0.000 0.960 24 R CB 0.008 30.264 30.300 -0.074 0.000 0.855 24 R HN 0.037 nan 8.270 nan 0.000 0.432 25 D N 0.489 120.894 120.400 0.009 0.000 2.117 25 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 25 D C 1.704 178.041 176.300 0.061 0.000 0.987 25 D CA 1.527 55.541 54.000 0.023 0.000 0.829 25 D CB -0.243 40.532 40.800 -0.043 0.000 0.961 25 D HN 0.323 nan 8.370 nan 0.000 0.460 26 A N 0.930 123.770 122.820 0.034 0.000 1.902 26 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 26 A C 2.296 179.898 177.584 0.030 0.000 1.181 26 A CA 2.115 54.168 52.037 0.027 0.000 0.623 26 A CB -0.659 18.348 19.000 0.011 0.000 0.818 26 A HN 0.234 nan 8.150 nan 0.000 0.443 27 A N -1.650 121.188 122.820 0.029 0.000 1.969 27 A HA 0.039 4.359 4.320 -0.000 0.000 0.218 27 A C 1.971 179.524 177.584 -0.052 0.000 1.169 27 A CA 1.298 53.321 52.037 -0.024 0.000 0.635 27 A CB -0.628 18.340 19.000 -0.053 0.000 0.810 27 A HN 0.481 nan 8.150 nan 0.000 0.445 28 F N -0.403 119.531 119.950 -0.026 0.000 2.206 28 F HA -0.052 4.475 4.527 -0.000 0.000 0.298 28 F C 2.405 178.191 175.800 -0.024 0.000 1.090 28 F CA 1.578 59.563 58.000 -0.024 0.000 1.323 28 F CB 0.041 39.023 39.000 -0.031 0.000 1.028 28 F HN 0.282 nan 8.300 nan 0.000 0.492 29 E N 0.985 121.273 120.200 0.146 0.000 2.077 29 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 29 E C 1.941 178.560 176.600 0.031 0.000 0.989 29 E CA 1.304 57.748 56.400 0.073 0.000 0.800 29 E CB -0.271 29.455 29.700 0.043 0.000 0.746 29 E HN 0.167 nan 8.360 nan 0.000 0.452 30 K N 0.134 120.540 120.400 0.011 0.000 2.520 30 K HA -0.089 4.231 4.320 -0.000 0.000 0.197 30 K C 1.696 178.279 176.600 -0.029 0.000 1.043 30 K CA 0.841 57.119 56.287 -0.015 0.000 0.944 30 K CB -0.187 32.297 32.500 -0.025 0.000 0.770 30 K HN 0.262 nan 8.250 nan 0.000 0.480 31 I N 0.453 121.009 120.570 -0.023 0.000 2.286 31 I HA -0.297 3.873 4.170 -0.000 0.000 0.248 31 I C 1.521 177.625 176.117 -0.022 0.000 1.115 31 I CA 1.340 62.622 61.300 -0.030 0.000 1.392 31 I CB -0.512 37.481 38.000 -0.010 0.000 1.065 31 I HN 0.291 nan 8.210 nan 0.000 0.418 32 N N 0.747 119.443 118.700 -0.006 0.000 2.069 32 N HA -0.249 4.491 4.740 -0.000 0.000 0.191 32 N C 1.873 177.362 175.510 -0.035 0.000 1.031 32 N CA 1.185 54.225 53.050 -0.016 0.000 0.852 32 N CB -0.125 38.359 38.487 -0.004 0.000 1.018 32 N HN 0.355 nan 8.380 nan 0.000 0.423 33 E N 0.325 120.505 120.200 -0.032 0.000 2.409 33 E HA -0.070 4.280 4.350 -0.000 0.000 0.198 33 E C 1.309 177.876 176.600 -0.055 0.000 1.024 33 E CA 0.473 56.849 56.400 -0.040 0.000 0.861 33 E CB 0.081 29.763 29.700 -0.031 0.000 0.788 33 E HN 0.415 nan 8.360 nan 0.000 0.521 34 A N 0.486 123.271 122.820 -0.060 0.000 2.147 34 A HA 0.069 4.389 4.320 -0.000 0.000 0.211 34 A C 2.031 179.549 177.584 -0.109 0.000 1.160 34 A CA 0.094 52.086 52.037 -0.075 0.000 0.781 34 A CB -0.026 18.935 19.000 -0.065 0.000 0.842 34 A HN 0.059 nan 8.150 nan 0.000 0.475 35 R N 0.281 120.715 120.500 -0.110 0.000 2.127 35 R HA -0.078 4.262 4.340 -0.000 0.000 0.217 35 R C 2.491 178.694 176.300 -0.161 0.000 1.074 35 R CA 1.304 57.309 56.100 -0.158 0.000 0.991 35 R CB -0.156 30.071 30.300 -0.122 0.000 0.895 35 R HN 0.626 nan 8.270 nan 0.000 0.450 36 S N 1.139 116.772 115.700 -0.111 0.000 2.389 36 S HA -0.075 4.395 4.470 -0.000 0.000 0.231 36 S C -0.976 173.561 174.600 -0.106 0.000 1.052 36 S CA 1.151 59.295 58.200 -0.093 0.000 1.053 36 S CB -1.150 62.011 63.200 -0.065 0.000 0.886 36 S HN 0.239 nan 8.310 nan 0.000 0.456 37 P HA 0.202 nan 4.420 nan 0.000 0.242 37 P C 0.794 177.996 177.300 -0.162 0.000 1.197 37 P CA 0.512 63.541 63.100 -0.119 0.000 0.765 37 P CB -0.171 31.465 31.700 -0.107 0.000 0.936 38 L N -2.085 119.000 121.223 -0.230 0.000 2.611 38 L HA 0.152 4.492 4.340 -0.000 0.000 0.229 38 L C 0.411 177.160 176.870 -0.202 0.000 1.137 38 L CA -0.020 54.638 54.840 -0.304 0.000 0.901 38 L CB -0.036 41.681 42.059 -0.569 0.000 1.098 38 L HN -0.001 nan 8.230 nan 0.000 0.456 39 L N -0.696 120.444 121.223 -0.138 0.000 2.341 39 L HA 0.529 4.869 4.340 -0.000 0.000 0.267 39 L C -2.204 174.630 176.870 -0.060 0.000 1.009 39 L CA -1.838 52.948 54.840 -0.090 0.000 0.819 39 L CB 1.282 43.291 42.059 -0.083 0.000 1.323 39 L HN -0.288 nan 8.230 nan 0.000 0.425 40 P HA -0.073 nan 4.420 nan 0.000 0.257 40 P C -1.310 175.975 177.300 -0.026 0.000 1.153 40 P CA 0.326 63.411 63.100 -0.025 0.000 0.762 40 P CB 0.104 31.795 31.700 -0.015 0.000 0.743 41 Q N 2.762 122.549 119.800 -0.022 0.000 2.257 41 Q HA 0.509 4.849 4.340 -0.000 0.000 0.255 41 Q C -0.564 175.429 176.000 -0.011 0.000 0.920 41 Q CA -0.565 55.226 55.803 -0.019 0.000 0.927 41 Q CB 1.807 30.533 28.738 -0.020 0.000 1.229 41 Q HN 0.280 nan 8.270 nan 0.000 0.433 42 L N 1.649 122.866 121.223 -0.009 0.000 2.573 42 L HA 0.574 4.914 4.340 -0.000 0.000 0.260 42 L C -0.706 176.162 176.870 -0.003 0.000 0.997 42 L CA -0.017 54.820 54.840 -0.005 0.000 0.890 42 L CB 1.536 43.592 42.059 -0.004 0.000 1.179 42 L HN 0.629 nan 8.230 nan 0.000 0.439 43 G N 2.901 111.701 108.800 -0.001 0.000 2.454 43 G HA2 0.587 4.547 3.960 -0.000 0.000 0.329 43 G HA3 0.587 4.547 3.960 -0.000 0.000 0.329 43 G C -1.775 173.127 174.900 0.003 0.000 1.177 43 G CA -0.628 44.472 45.100 0.000 0.000 0.951 43 G HN 0.475 nan 8.290 nan 0.000 0.485 44 L N 1.917 123.142 121.223 0.004 0.000 2.324 44 L HA 0.711 5.051 4.340 -0.000 0.000 0.274 44 L C 0.520 177.395 176.870 0.009 0.000 1.012 44 L CA -0.651 54.193 54.840 0.007 0.000 0.859 44 L CB 0.870 42.932 42.059 0.006 0.000 1.224 44 L HN 0.605 nan 8.230 nan 0.000 0.429 45 G N 3.665 112.472 108.800 0.011 0.000 2.448 45 G HA2 0.684 4.644 3.960 -0.000 0.000 0.285 45 G HA3 0.684 4.644 3.960 -0.000 0.000 0.285 45 G C -0.930 173.981 174.900 0.018 0.000 1.176 45 G CA -0.048 45.061 45.100 0.014 0.000 0.852 45 G HN 1.237 nan 8.290 nan 0.000 0.530 46 A N 1.952 124.786 122.820 0.024 0.000 2.480 46 A HA 0.501 4.821 4.320 -0.000 0.000 0.302 46 A C -0.735 176.878 177.584 0.047 0.000 1.151 46 A CA -0.708 51.348 52.037 0.031 0.000 0.907 46 A CB 0.302 19.317 19.000 0.026 0.000 1.487 46 A HN 0.673 nan 8.150 nan 0.000 0.396 47 D N 0.014 120.447 120.400 0.055 0.000 2.440 47 D HA 0.613 5.253 4.640 -0.000 0.000 0.258 47 D C -0.472 175.914 176.300 0.144 0.000 1.092 47 D CA -0.564 53.484 54.000 0.079 0.000 1.016 47 D CB 0.906 41.734 40.800 0.046 0.000 1.141 47 D HN 0.552 nan 8.370 nan 0.000 0.552 48 Y N -0.490 119.815 120.300 0.010 0.000 2.317 48 Y HA 0.392 4.942 4.550 -0.000 0.000 0.325 48 Y C -1.579 174.339 175.900 0.029 0.000 1.066 48 Y CA -0.587 57.521 58.100 0.014 0.000 1.203 48 Y CB 1.431 39.896 38.460 0.009 0.000 1.127 48 Y HN 0.371 nan 8.280 nan 0.000 0.451 49 T N 5.780 120.112 114.554 -0.370 0.000 2.824 49 T HA 0.262 4.612 4.350 -0.000 0.000 0.280 49 T C -1.535 172.921 174.700 -0.407 0.000 0.995 49 T CA -0.477 61.410 62.100 -0.356 0.000 1.009 49 T CB 1.150 69.920 68.868 -0.163 0.000 0.955 49 T HN 0.637 nan 8.240 nan 0.000 0.452 50 Y N 2.517 122.537 120.300 -0.468 0.000 2.376 50 Y HA 0.483 5.033 4.550 -0.000 0.000 0.326 50 Y C -0.229 175.575 175.900 -0.159 0.000 0.970 50 Y CA -0.766 57.155 58.100 -0.299 0.000 1.248 50 Y CB 0.797 39.095 38.460 -0.269 0.000 1.117 50 Y HN 0.754 nan 8.280 nan 0.000 0.476 51 S N 5.152 120.586 115.700 -0.445 0.000 2.646 51 S HA 0.351 4.821 4.470 -0.000 0.000 0.276 51 S C -0.666 173.586 174.600 -0.579 0.000 1.222 51 S CA -1.041 56.901 58.200 -0.430 0.000 1.014 51 S CB 1.396 64.483 63.200 -0.188 0.000 0.991 51 S HN 0.796 nan 8.310 nan 0.000 0.533 52 N N 0.804 119.284 118.700 -0.368 0.000 2.653 52 N HA 0.189 4.929 4.740 -0.000 0.000 0.261 52 N C -0.189 175.311 175.510 -0.017 0.000 1.216 52 N CA -0.302 52.607 53.050 -0.235 0.000 0.784 52 N CB 1.100 39.399 38.487 -0.313 0.000 1.327 52 N HN 0.844 nan 8.380 nan 0.000 0.539 53 G N 2.003 110.819 108.800 0.027 0.000 2.491 53 G HA2 0.300 4.260 3.960 -0.000 0.000 0.238 53 G HA3 0.300 4.260 3.960 -0.000 0.000 0.238 53 G C -0.717 174.314 174.900 0.218 0.000 1.277 53 G CA 0.407 45.566 45.100 0.097 0.000 0.851 53 G HN 0.620 nan 8.290 nan 0.000 0.573 54 Y N -0.914 119.359 120.300 -0.046 0.000 2.728 54 Y HA 0.646 5.196 4.550 -0.000 0.000 0.330 54 Y C 0.215 176.099 175.900 -0.026 0.000 1.234 54 Y CA -1.964 56.115 58.100 -0.034 0.000 1.070 54 Y CB 0.613 39.054 38.460 -0.032 0.000 1.300 54 Y HN 1.008 nan 8.280 nan 0.000 0.467 55 R N 2.076 122.566 120.500 -0.016 0.000 2.345 55 R HA -0.284 4.056 4.340 -0.000 0.000 0.283 55 R C -0.224 176.003 176.300 -0.121 0.000 1.032 55 R CA 1.427 57.473 56.100 -0.091 0.000 0.946 55 R CB -1.539 28.678 30.300 -0.138 0.000 2.534 55 R HN 1.094 nan 8.270 nan 0.000 0.523 56 D N 1.009 121.373 120.400 -0.061 0.000 3.006 56 D HA -0.227 4.413 4.640 -0.000 0.000 0.205 56 D C -0.075 176.191 176.300 -0.056 0.000 1.075 56 D CA 1.619 55.587 54.000 -0.053 0.000 1.000 56 D CB -1.026 39.739 40.800 -0.059 0.000 1.097 56 D HN 1.047 nan 8.370 nan 0.000 0.426 57 A N -0.057 122.725 122.820 -0.064 0.000 2.474 57 A HA 0.163 4.483 4.320 -0.000 0.000 0.249 57 A C 0.118 177.680 177.584 -0.036 0.000 0.891 57 A CA -0.094 51.908 52.037 -0.058 0.000 1.135 57 A CB 0.256 19.218 19.000 -0.063 0.000 1.191 57 A HN 0.171 nan 8.150 nan 0.000 0.471 58 N N 0.847 119.543 118.700 -0.007 0.000 2.454 58 N HA 0.323 5.063 4.740 -0.000 0.000 0.254 58 N C 1.416 176.921 175.510 -0.007 0.000 1.228 58 N CA 2.231 55.296 53.050 0.025 0.000 0.900 58 N CB 0.715 39.230 38.487 0.047 0.000 1.089 58 N HN 1.073 nan 8.380 nan 0.000 0.449 59 G N 2.277 111.077 108.800 -0.001 0.000 2.225 59 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.254 59 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.254 59 G C 0.227 175.098 174.900 -0.049 0.000 0.988 59 G CA 0.107 45.197 45.100 -0.016 0.000 0.625 59 G HN 0.603 nan 8.290 nan 0.000 0.527 60 I N 2.079 122.599 120.570 -0.083 0.000 2.304 60 I HA 0.450 4.620 4.170 -0.000 0.000 0.291 60 I C -0.726 175.381 176.117 -0.018 0.000 1.018 60 I CA -0.350 60.876 61.300 -0.125 0.000 1.260 60 I CB 0.150 37.954 38.000 -0.326 0.000 1.390 60 I HN 0.280 nan 8.210 nan 0.000 0.475 61 N N 4.773 123.503 118.700 0.050 0.000 2.260 61 N HA 0.424 5.164 4.740 -0.000 0.000 0.293 61 N C -1.226 174.343 175.510 0.099 0.000 1.058 61 N CA -0.604 52.484 53.050 0.063 0.000 0.824 61 N CB 2.204 40.747 38.487 0.094 0.000 1.551 61 N HN 0.478 nan 8.380 nan 0.000 0.475 62 S N 0.770 116.473 115.700 0.005 0.000 2.648 62 S HA 0.577 5.047 4.470 -0.000 0.000 0.305 62 S C -0.822 173.796 174.600 0.030 0.000 1.094 62 S CA -1.047 57.074 58.200 -0.132 0.000 0.983 62 S CB 1.247 64.235 63.200 -0.353 0.000 1.101 62 S HN 0.726 nan 8.310 nan 0.000 0.514 63 N N -0.569 118.122 118.700 -0.014 0.000 2.352 63 N HA 0.650 5.390 4.740 -0.000 0.000 0.291 63 N C -1.226 174.264 175.510 -0.032 0.000 1.040 63 N CA -0.783 52.280 53.050 0.022 0.000 0.864 63 N CB 1.591 40.173 38.487 0.158 0.000 1.440 63 N HN 0.774 nan 8.380 nan 0.000 0.483 64 A N 1.080 123.865 122.820 -0.058 0.000 2.312 64 A HA 0.833 5.153 4.320 -0.000 0.000 0.328 64 A C -0.066 177.559 177.584 0.069 0.000 1.158 64 A CA -0.539 51.481 52.037 -0.028 0.000 0.821 64 A CB 0.639 19.601 19.000 -0.063 0.000 1.170 64 A HN 0.842 nan 8.150 nan 0.000 0.490 65 T N -0.514 114.091 114.554 0.085 0.000 2.881 65 T HA 0.712 5.062 4.350 -0.000 0.000 0.290 65 T C -0.239 174.498 174.700 0.061 0.000 1.000 65 T CA -0.204 61.963 62.100 0.112 0.000 0.978 65 T CB 1.081 70.032 68.868 0.139 0.000 0.997 65 T HN 0.974 nan 8.240 nan 0.000 0.443 66 S N 1.746 117.479 115.700 0.055 0.000 2.689 66 S HA 1.003 5.473 4.470 -0.000 0.000 0.306 66 S C -0.523 174.099 174.600 0.036 0.000 1.104 66 S CA -1.011 57.212 58.200 0.038 0.000 0.973 66 S CB 1.665 64.882 63.200 0.029 0.000 1.121 66 S HN 1.753 nan 8.310 nan 0.000 0.523 67 A N 0.777 123.614 122.820 0.027 0.000 2.565 67 A HA 0.743 5.063 4.320 -0.000 0.000 0.298 67 A C -0.940 176.655 177.584 0.019 0.000 1.062 67 A CA -0.763 51.288 52.037 0.023 0.000 0.723 67 A CB 0.817 19.830 19.000 0.021 0.000 1.282 67 A HN 1.566 nan 8.150 nan 0.000 0.400 68 S N 1.480 117.190 115.700 0.016 0.000 2.535 68 S HA 0.635 5.105 4.470 -0.000 0.000 0.272 68 S C -0.905 173.702 174.600 0.012 0.000 1.149 68 S CA -0.862 57.346 58.200 0.014 0.000 0.888 68 S CB 0.901 64.110 63.200 0.015 0.000 1.110 68 S HN 0.870 nan 8.310 nan 0.000 0.463 69 L N 2.824 124.053 121.223 0.010 0.000 2.361 69 L HA 0.326 4.666 4.340 -0.000 0.000 0.278 69 L C 0.342 177.218 176.870 0.009 0.000 1.113 69 L CA -0.238 54.607 54.840 0.008 0.000 0.849 69 L CB 0.025 42.089 42.059 0.008 0.000 1.155 69 L HN 0.645 nan 8.230 nan 0.000 0.452 70 Q N 4.071 123.876 119.800 0.008 0.000 2.235 70 Q HA 0.673 5.013 4.340 -0.000 0.000 0.256 70 Q C -0.972 175.031 176.000 0.006 0.000 0.951 70 Q CA -0.879 54.929 55.803 0.008 0.000 0.890 70 Q CB 3.113 31.856 28.738 0.008 0.000 1.279 70 Q HN 0.464 nan 8.270 nan 0.000 0.444 71 L N 0.781 122.008 121.223 0.007 0.000 2.438 71 L HA 0.467 4.807 4.340 -0.000 0.000 0.270 71 L C -0.792 176.082 176.870 0.006 0.000 0.972 71 L CA -0.133 54.710 54.840 0.005 0.000 0.831 71 L CB 2.303 44.366 42.059 0.007 0.000 1.273 71 L HN 0.777 nan 8.230 nan 0.000 0.405 72 T N 1.506 116.061 114.554 0.001 0.000 2.925 72 T HA 0.779 5.129 4.350 -0.000 0.000 0.285 72 T C -0.689 174.010 174.700 -0.002 0.000 1.021 72 T CA -0.476 61.625 62.100 0.002 0.000 1.042 72 T CB 1.723 70.589 68.868 -0.003 0.000 1.037 72 T HN 0.660 nan 8.240 nan 0.000 0.481 73 Q N 1.603 121.406 119.800 0.004 0.000 2.331 73 Q HA 0.397 4.737 4.340 -0.000 0.000 0.249 73 Q C -0.928 175.080 176.000 0.013 0.000 0.913 73 Q CA -0.219 55.586 55.803 0.003 0.000 0.874 73 Q CB 2.010 30.756 28.738 0.013 0.000 1.384 73 Q HN 0.847 nan 8.270 nan 0.000 0.427 74 S N 4.822 120.519 115.700 -0.005 0.000 2.533 74 S HA 0.301 4.771 4.470 -0.000 0.000 0.282 74 S C 0.791 175.427 174.600 0.060 0.000 1.304 74 S CA -0.143 58.062 58.200 0.009 0.000 1.063 74 S CB 0.137 63.305 63.200 -0.053 0.000 0.881 74 S HN 0.652 nan 8.310 nan 0.000 0.493 75 I N 3.239 123.877 120.570 0.114 0.000 3.443 75 I HA 0.313 4.483 4.170 -0.000 0.000 0.277 75 I C 0.026 176.313 176.117 0.283 0.000 1.169 75 I CA 0.581 61.986 61.300 0.175 0.000 1.419 75 I CB -0.279 37.816 38.000 0.158 0.000 1.331 75 I HN 0.571 nan 8.210 nan 0.000 0.458 76 F N 2.131 122.140 119.950 0.099 0.000 2.612 76 F HA 0.437 4.964 4.527 -0.000 0.000 0.332 76 F C -1.234 174.609 175.800 0.071 0.000 1.167 76 F CA -0.667 57.396 58.000 0.105 0.000 0.970 76 F CB 1.017 40.053 39.000 0.061 0.000 1.234 76 F HN -0.128 nan 8.300 nan 0.000 0.453 77 D N 6.107 126.448 120.400 -0.098 0.000 2.319 77 D HA 0.096 4.736 4.640 -0.000 0.000 0.237 77 D C 0.326 176.574 176.300 -0.088 0.000 1.353 77 D CA -0.227 53.741 54.000 -0.053 0.000 0.992 77 D CB 1.422 42.211 40.800 -0.017 0.000 1.368 77 D HN 0.643 nan 8.370 nan 0.000 0.564 78 M N 2.638 122.134 119.600 -0.173 0.000 2.175 78 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 78 M C 1.788 178.091 176.300 0.005 0.000 1.063 78 M CA 1.937 57.162 55.300 -0.126 0.000 1.119 78 M CB 0.015 32.535 32.600 -0.133 0.000 1.377 78 M HN 0.307 nan 8.290 nan 0.000 0.415 79 S N -1.019 114.675 115.700 -0.009 0.000 2.474 79 S HA -0.107 4.363 4.470 -0.000 0.000 0.235 79 S C 1.943 176.535 174.600 -0.015 0.000 0.997 79 S CA 1.157 59.352 58.200 -0.008 0.000 0.949 79 S CB -0.358 62.829 63.200 -0.021 0.000 0.766 79 S HN 0.520 nan 8.310 nan 0.000 0.517 80 K N 0.032 120.414 120.400 -0.029 0.000 2.167 80 K HA 0.166 4.486 4.320 -0.000 0.000 0.203 80 K C 1.413 177.947 176.600 -0.111 0.000 1.052 80 K CA 1.162 57.392 56.287 -0.094 0.000 0.956 80 K CB -0.242 32.166 32.500 -0.154 0.000 0.735 80 K HN 0.542 nan 8.250 nan 0.000 0.451 81 W N 0.299 121.531 121.300 -0.113 0.000 2.436 81 W HA -0.029 4.631 4.660 -0.000 0.000 0.284 81 W C 2.143 178.613 176.519 -0.082 0.000 1.225 81 W CA 0.352 57.635 57.345 -0.104 0.000 1.271 81 W CB 0.072 29.450 29.460 -0.137 0.000 1.114 81 W HN -0.043 nan 8.180 nan 0.000 0.559 82 R N 0.893 121.469 120.500 0.127 0.000 2.070 82 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 82 R C 2.299 178.611 176.300 0.020 0.000 1.138 82 R CA 2.058 58.190 56.100 0.054 0.000 0.936 82 R CB -1.411 28.902 30.300 0.022 0.000 0.839 82 R HN 0.058 nan 8.270 nan 0.000 0.429 83 A N 0.297 123.113 122.820 -0.006 0.000 2.032 83 A HA -0.184 4.136 4.320 -0.000 0.000 0.221 83 A C 2.065 179.629 177.584 -0.034 0.000 1.165 83 A CA 1.602 53.622 52.037 -0.028 0.000 0.645 83 A CB -0.617 18.356 19.000 -0.045 0.000 0.807 83 A HN 0.328 nan 8.150 nan 0.000 0.453 84 L N -0.044 121.162 121.223 -0.028 0.000 2.023 84 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 84 L C 2.787 179.658 176.870 0.002 0.000 1.073 84 L CA 2.789 57.613 54.840 -0.027 0.000 0.745 84 L CB -0.837 41.195 42.059 -0.045 0.000 0.900 84 L HN 0.509 nan 8.230 nan 0.000 0.435 85 T N -2.295 112.281 114.554 0.037 0.000 2.821 85 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 85 T C 1.903 176.600 174.700 -0.004 0.000 1.046 85 T CA 1.378 63.495 62.100 0.027 0.000 1.139 85 T CB -0.750 68.144 68.868 0.044 0.000 0.871 85 T HN 0.217 nan 8.240 nan 0.000 0.454 86 L N 0.849 122.067 121.223 -0.007 0.000 2.191 86 L HA 0.054 4.394 4.340 -0.000 0.000 0.212 86 L C 2.645 179.491 176.870 -0.039 0.000 1.103 86 L CA 1.455 56.284 54.840 -0.018 0.000 0.769 86 L CB -0.558 41.492 42.059 -0.014 0.000 0.908 86 L HN 0.246 nan 8.230 nan 0.000 0.438 87 Q N -0.870 118.900 119.800 -0.050 0.000 2.376 87 Q HA -0.072 4.268 4.340 -0.000 0.000 0.206 87 Q C 1.918 177.845 176.000 -0.121 0.000 0.921 87 Q CA 0.982 56.739 55.803 -0.077 0.000 0.911 87 Q CB 0.175 28.872 28.738 -0.067 0.000 1.032 87 Q HN 0.515 nan 8.270 nan 0.000 0.510 88 E N -0.148 119.991 120.200 -0.101 0.000 2.072 88 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 88 E C 1.658 178.167 176.600 -0.151 0.000 0.982 88 E CA 0.960 57.281 56.400 -0.132 0.000 0.803 88 E CB 0.137 29.804 29.700 -0.054 0.000 0.755 88 E HN 0.256 nan 8.360 nan 0.000 0.453 89 K N 0.498 120.846 120.400 -0.088 0.000 2.097 89 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 89 K C 2.128 178.677 176.600 -0.085 0.000 1.050 89 K CA 0.920 57.167 56.287 -0.066 0.000 0.938 89 K CB -0.047 32.437 32.500 -0.026 0.000 0.718 89 K HN 0.025 nan 8.250 nan 0.000 0.442 90 A N 1.537 124.300 122.820 -0.095 0.000 1.933 90 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 90 A C 2.337 179.831 177.584 -0.150 0.000 1.175 90 A CA 1.885 53.866 52.037 -0.094 0.000 0.628 90 A CB -0.611 18.341 19.000 -0.079 0.000 0.814 90 A HN 0.331 nan 8.150 nan 0.000 0.444 91 A N -0.706 121.945 122.820 -0.282 0.000 1.968 91 A HA 0.239 4.559 4.320 -0.000 0.000 0.217 91 A C 2.315 179.643 177.584 -0.426 0.000 1.169 91 A CA 1.584 53.303 52.037 -0.529 0.000 0.638 91 A CB -1.092 17.248 19.000 -1.099 0.000 0.812 91 A HN 0.653 nan 8.150 nan 0.000 0.446 92 G N 0.106 108.751 108.800 -0.258 0.000 2.402 92 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.216 92 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.216 92 G C 1.504 176.404 174.900 -0.001 0.000 1.162 92 G CA 1.053 46.111 45.100 -0.069 0.000 0.777 92 G HN 0.435 nan 8.290 nan 0.000 0.539 93 I N 0.022 120.579 120.570 -0.022 0.000 2.142 93 I HA -0.203 3.967 4.170 -0.000 0.000 0.240 93 I C 2.866 179.003 176.117 0.034 0.000 1.078 93 I CA 1.384 62.689 61.300 0.009 0.000 1.343 93 I CB -0.083 37.916 38.000 -0.002 0.000 1.046 93 I HN 0.139 nan 8.210 nan 0.000 0.405 94 Q N 0.546 120.358 119.800 0.019 0.000 2.226 94 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 94 Q C 1.603 177.691 176.000 0.147 0.000 0.975 94 Q CA 1.807 57.648 55.803 0.064 0.000 0.866 94 Q CB -0.267 28.489 28.738 0.030 0.000 0.915 94 Q HN 0.452 nan 8.270 nan 0.000 0.440 95 D N -1.862 118.644 120.400 0.178 0.000 2.183 95 D HA -0.076 4.564 4.640 -0.000 0.000 0.203 95 D C 1.476 177.910 176.300 0.223 0.000 0.969 95 D CA 0.815 54.979 54.000 0.273 0.000 0.842 95 D CB 0.311 41.333 40.800 0.370 0.000 0.957 95 D HN 0.155 nan 8.370 nan 0.000 0.484 96 V N -0.051 119.952 119.914 0.148 0.000 2.488 96 V HA -0.136 3.984 4.120 -0.000 0.000 0.246 96 V C 2.638 178.790 176.094 0.098 0.000 1.046 96 V CA 1.845 64.209 62.300 0.108 0.000 1.053 96 V CB -0.767 31.100 31.823 0.074 0.000 0.679 96 V HN 0.425 nan 8.190 nan 0.000 0.458 97 T N -1.427 113.189 114.554 0.105 0.000 2.962 97 T HA -0.266 4.084 4.350 -0.000 0.000 0.270 97 T C 1.822 176.602 174.700 0.132 0.000 1.088 97 T CA 1.634 63.791 62.100 0.094 0.000 1.127 97 T CB -0.437 68.477 68.868 0.078 0.000 0.883 97 T HN 0.519 nan 8.240 nan 0.000 0.493 98 Y N 1.375 121.707 120.300 0.053 0.000 2.220 98 Y HA 0.085 4.635 4.550 -0.000 0.000 0.291 98 Y C 2.637 178.565 175.900 0.047 0.000 1.129 98 Y CA 1.401 59.532 58.100 0.052 0.000 1.161 98 Y CB -0.485 38.014 38.460 0.064 0.000 0.997 98 Y HN 0.279 nan 8.280 nan 0.000 0.522 99 Q N -0.877 118.923 119.800 0.001 0.000 2.096 99 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 99 Q C 2.120 178.067 176.000 -0.088 0.000 0.982 99 Q CA 2.235 57.996 55.803 -0.070 0.000 0.850 99 Q CB -0.261 28.493 28.738 0.028 0.000 0.901 99 Q HN 0.423 nan 8.270 nan 0.000 0.422 100 T N 0.985 115.517 114.554 -0.037 0.000 2.720 100 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 100 T C 1.038 175.704 174.700 -0.056 0.000 1.037 100 T CA 1.573 63.655 62.100 -0.030 0.000 1.144 100 T CB -0.213 68.657 68.868 0.002 0.000 0.864 100 T HN 0.243 nan 8.240 nan 0.000 0.444 101 D N 0.651 121.001 120.400 -0.083 0.000 2.194 101 D HA -0.005 4.635 4.640 -0.000 0.000 0.204 101 D C 2.273 178.491 176.300 -0.137 0.000 0.964 101 D CA 0.647 54.597 54.000 -0.083 0.000 0.846 101 D CB -0.290 40.482 40.800 -0.047 0.000 0.962 101 D HN 0.387 nan 8.370 nan 0.000 0.490 102 Q N 0.161 119.799 119.800 -0.271 0.000 2.135 102 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 102 Q C 2.082 178.024 176.000 -0.095 0.000 0.981 102 Q CA 1.332 56.990 55.803 -0.242 0.000 0.856 102 Q CB 0.051 28.572 28.738 -0.363 0.000 0.902 102 Q HN 0.317 nan 8.270 nan 0.000 0.425 103 Q N -0.747 118.999 119.800 -0.090 0.000 2.049 103 Q HA -0.125 4.215 4.340 -0.000 0.000 0.198 103 Q C 1.883 177.857 176.000 -0.043 0.000 0.971 103 Q CA 1.676 57.443 55.803 -0.060 0.000 0.833 103 Q CB 0.057 28.764 28.738 -0.051 0.000 0.896 103 Q HN 0.225 nan 8.270 nan 0.000 0.434 104 T N 1.417 115.951 114.554 -0.033 0.000 2.737 104 T HA -0.187 4.163 4.350 -0.000 0.000 0.269 104 T C 1.642 176.342 174.700 0.000 0.000 1.040 104 T CA 1.369 63.460 62.100 -0.014 0.000 1.142 104 T CB -0.312 68.552 68.868 -0.008 0.000 0.861 104 T HN 0.277 nan 8.240 nan 0.000 0.456 105 L N 0.846 122.077 121.223 0.013 0.000 2.017 105 L HA 0.023 4.363 4.340 -0.000 0.000 0.208 105 L C 2.118 179.033 176.870 0.076 0.000 1.073 105 L CA 1.542 56.420 54.840 0.063 0.000 0.745 105 L CB -0.577 41.540 42.059 0.096 0.000 0.894 105 L HN 0.289 nan 8.230 nan 0.000 0.432 106 I N -0.923 119.654 120.570 0.012 0.000 2.127 106 I HA -0.323 3.847 4.170 -0.000 0.000 0.241 106 I C 2.445 178.492 176.117 -0.116 0.000 1.075 106 I CA 1.666 62.861 61.300 -0.174 0.000 1.334 106 I CB -0.569 37.252 38.000 -0.298 0.000 1.040 106 I HN 0.367 nan 8.210 nan 0.000 0.405 107 L N 1.003 122.187 121.223 -0.065 0.000 2.012 107 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 107 L C 2.013 178.879 176.870 -0.008 0.000 1.073 107 L CA 2.068 56.889 54.840 -0.032 0.000 0.748 107 L CB -0.907 41.142 42.059 -0.017 0.000 0.891 107 L HN 0.224 nan 8.230 nan 0.000 0.431 108 N N -1.761 116.941 118.700 0.003 0.000 2.309 108 N HA -0.144 4.596 4.740 -0.000 0.000 0.182 108 N C 1.343 176.864 175.510 0.019 0.000 1.018 108 N CA 1.415 54.475 53.050 0.018 0.000 0.876 108 N CB 0.005 38.506 38.487 0.024 0.000 0.972 108 N HN 0.490 nan 8.380 nan 0.000 0.434 109 T N 0.632 115.195 114.554 0.015 0.000 2.809 109 T HA 0.010 4.360 4.350 -0.000 0.000 0.260 109 T C 2.166 176.837 174.700 -0.048 0.000 1.039 109 T CA 0.973 63.082 62.100 0.014 0.000 1.141 109 T CB -0.290 68.627 68.868 0.082 0.000 0.869 109 T HN 0.228 nan 8.240 nan 0.000 0.437 110 A N 1.607 124.365 122.820 -0.103 0.000 1.902 110 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 110 A C 2.559 180.126 177.584 -0.028 0.000 1.181 110 A CA 2.119 54.052 52.037 -0.173 0.000 0.623 110 A CB -1.455 17.469 19.000 -0.127 0.000 0.818 110 A HN 0.447 nan 8.150 nan 0.000 0.443 111 T N 0.152 114.741 114.554 0.059 0.000 2.684 111 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 111 T C 2.159 176.905 174.700 0.077 0.000 1.036 111 T CA 1.844 64.011 62.100 0.112 0.000 1.148 111 T CB -0.415 68.497 68.868 0.073 0.000 0.863 111 T HN 0.610 nan 8.240 nan 0.000 0.436 112 A N -0.215 122.625 122.820 0.033 0.000 1.968 112 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 112 A C 2.041 179.611 177.584 -0.023 0.000 1.169 112 A CA 1.161 53.203 52.037 0.009 0.000 0.638 112 A CB -0.782 18.225 19.000 0.011 0.000 0.812 112 A HN 0.624 nan 8.150 nan 0.000 0.446 113 Y N -0.600 119.585 120.300 -0.192 0.000 2.163 113 Y HA -0.139 4.411 4.550 -0.000 0.000 0.288 113 Y C 1.833 177.572 175.900 -0.269 0.000 1.136 113 Y CA 1.776 59.696 58.100 -0.300 0.000 1.147 113 Y CB -0.403 37.784 38.460 -0.454 0.000 0.987 113 Y HN 0.295 nan 8.280 nan 0.000 0.509 114 F N 0.269 120.274 119.950 0.092 0.000 2.365 114 F HA -0.158 4.369 4.527 -0.000 0.000 0.300 114 F C 2.152 177.743 175.800 -0.349 0.000 1.090 114 F CA 0.957 58.900 58.000 -0.095 0.000 1.408 114 F CB -0.311 38.735 39.000 0.077 0.000 1.060 114 F HN 0.191 nan 8.300 nan 0.000 0.534 115 N N -0.008 118.656 118.700 -0.060 0.000 2.270 115 N HA -0.114 4.626 4.740 -0.000 0.000 0.181 115 N C 1.845 177.242 175.510 -0.187 0.000 1.016 115 N CA 0.750 53.729 53.050 -0.119 0.000 0.870 115 N CB 0.084 38.540 38.487 -0.051 0.000 0.979 115 N HN 0.073 nan 8.380 nan 0.000 0.431 116 V N 1.907 121.690 119.914 -0.218 0.000 2.323 116 V HA -0.158 3.962 4.120 -0.000 0.000 0.244 116 V C 2.352 178.282 176.094 -0.273 0.000 1.041 116 V CA 1.088 63.245 62.300 -0.237 0.000 1.025 116 V CB -0.421 31.224 31.823 -0.297 0.000 0.656 116 V HN 0.297 nan 8.190 nan 0.000 0.451 117 L N 0.355 121.368 121.223 -0.350 0.000 2.013 117 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 117 L C 2.561 179.189 176.870 -0.402 0.000 1.073 117 L CA 2.048 56.691 54.840 -0.329 0.000 0.753 117 L CB -0.814 41.089 42.059 -0.261 0.000 0.890 117 L HN 0.420 nan 8.230 nan 0.000 0.432 118 N N 0.227 118.516 118.700 -0.684 0.000 2.166 118 N HA -0.144 4.596 4.740 -0.000 0.000 0.186 118 N C 1.669 177.070 175.510 -0.181 0.000 1.019 118 N CA 1.586 54.344 53.050 -0.487 0.000 0.856 118 N CB 0.010 38.217 38.487 -0.466 0.000 0.993 118 N HN 0.311 nan 8.380 nan 0.000 0.426 119 A N 0.026 122.742 122.820 -0.174 0.000 2.066 119 A HA 0.071 4.391 4.320 -0.000 0.000 0.218 119 A C 2.335 179.860 177.584 -0.098 0.000 1.157 119 A CA 0.423 52.398 52.037 -0.105 0.000 0.670 119 A CB -0.350 18.595 19.000 -0.093 0.000 0.804 119 A HN 0.316 nan 8.150 nan 0.000 0.453 120 I N -0.352 120.143 120.570 -0.126 0.000 2.353 120 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 120 I C 1.667 177.702 176.117 -0.135 0.000 1.119 120 I CA 1.126 62.356 61.300 -0.117 0.000 1.417 120 I CB -0.190 37.736 38.000 -0.122 0.000 1.078 120 I HN 0.195 nan 8.210 nan 0.000 0.421 121 D N 0.310 120.628 120.400 -0.136 0.000 2.117 121 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 121 D C 2.372 178.550 176.300 -0.203 0.000 0.982 121 D CA 1.066 54.922 54.000 -0.241 0.000 0.828 121 D CB -0.206 40.541 40.800 -0.088 0.000 0.967 121 D HN 0.106 nan 8.370 nan 0.000 0.464 122 V N 1.164 121.058 119.914 -0.034 0.000 2.295 122 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 122 V C 2.506 178.611 176.094 0.018 0.000 1.049 122 V CA 1.191 63.521 62.300 0.050 0.000 1.024 122 V CB -0.507 31.336 31.823 0.033 0.000 0.648 122 V HN 0.144 nan 8.190 nan 0.000 0.447 123 L N 0.733 121.935 121.223 -0.036 0.000 2.083 123 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 123 L C 2.624 179.464 176.870 -0.049 0.000 1.083 123 L CA 2.464 57.281 54.840 -0.038 0.000 0.752 123 L CB -0.629 41.402 42.059 -0.048 0.000 0.899 123 L HN 0.436 nan 8.230 nan 0.000 0.433 124 S N -1.771 113.864 115.700 -0.109 0.000 2.414 124 S HA -0.171 4.299 4.470 -0.000 0.000 0.227 124 S C 2.034 176.603 174.600 -0.052 0.000 1.022 124 S CA 0.671 58.797 58.200 -0.124 0.000 0.958 124 S CB -0.656 62.435 63.200 -0.182 0.000 0.797 124 S HN 0.509 nan 8.310 nan 0.000 0.493 125 Y N 2.532 122.850 120.300 0.031 0.000 2.242 125 Y HA 0.057 4.607 4.550 -0.000 0.000 0.291 125 Y C 3.014 178.880 175.900 -0.056 0.000 1.137 125 Y CA 1.061 59.199 58.100 0.063 0.000 1.181 125 Y CB -1.390 37.145 38.460 0.126 0.000 0.989 125 Y HN 0.305 nan 8.280 nan 0.000 0.527 126 T N -0.513 114.100 114.554 0.098 0.000 2.867 126 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 126 T C 1.835 176.497 174.700 -0.063 0.000 1.057 126 T CA 1.310 63.406 62.100 -0.006 0.000 1.136 126 T CB -0.132 68.734 68.868 -0.003 0.000 0.874 126 T HN 0.367 nan 8.240 nan 0.000 0.466 127 Q N 0.256 120.032 119.800 -0.040 0.000 2.083 127 Q HA 0.108 4.448 4.340 -0.000 0.000 0.198 127 Q C 2.674 178.634 176.000 -0.066 0.000 0.969 127 Q CA 1.112 56.888 55.803 -0.046 0.000 0.838 127 Q CB -0.227 28.493 28.738 -0.030 0.000 0.900 127 Q HN 0.541 nan 8.270 nan 0.000 0.436 128 A N 0.725 123.501 122.820 -0.073 0.000 1.908 128 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 128 A C 1.965 179.270 177.584 -0.465 0.000 1.181 128 A CA 1.711 53.674 52.037 -0.123 0.000 0.627 128 A CB -0.645 18.414 19.000 0.098 0.000 0.818 128 A HN 0.420 nan 8.150 nan 0.000 0.445 129 Q N -0.540 118.812 119.800 -0.746 0.000 2.050 129 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 129 Q C 2.224 178.084 176.000 -0.233 0.000 0.980 129 Q CA 1.781 57.137 55.803 -0.745 0.000 0.840 129 Q CB -0.173 28.271 28.738 -0.489 0.000 0.898 129 Q HN 0.587 nan 8.270 nan 0.000 0.424 130 K N 0.481 120.816 120.400 -0.107 0.000 2.044 130 K HA -0.235 4.085 4.320 -0.000 0.000 0.210 130 K C 1.800 178.519 176.600 0.198 0.000 1.049 130 K CA 2.021 58.347 56.287 0.064 0.000 0.927 130 K CB -0.052 32.459 32.500 0.019 0.000 0.713 130 K HN 0.340 nan 8.250 nan 0.000 0.443 131 E N -0.311 119.948 120.200 0.098 0.000 2.047 131 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 131 E C 2.001 178.690 176.600 0.149 0.000 0.987 131 E CA 1.005 57.491 56.400 0.144 0.000 0.799 131 E CB -0.134 29.613 29.700 0.079 0.000 0.752 131 E HN 0.368 nan 8.360 nan 0.000 0.449 132 A N 1.134 123.998 122.820 0.073 0.000 1.865 132 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 132 A C 2.187 179.816 177.584 0.076 0.000 1.191 132 A CA 1.407 53.495 52.037 0.086 0.000 0.623 132 A CB -0.636 18.431 19.000 0.111 0.000 0.826 132 A HN 0.159 nan 8.150 nan 0.000 0.444 133 I N -2.198 118.427 120.570 0.092 0.000 2.439 133 I HA -0.176 3.994 4.170 -0.000 0.000 0.251 133 I C 2.331 178.469 176.117 0.035 0.000 1.139 133 I CA 1.070 62.426 61.300 0.093 0.000 1.438 133 I CB -0.250 37.843 38.000 0.154 0.000 1.085 133 I HN 0.537 nan 8.210 nan 0.000 0.427 134 Y N 1.812 122.077 120.300 -0.058 0.000 2.145 134 Y HA -0.257 4.293 4.550 -0.000 0.000 0.286 134 Y C 2.661 178.468 175.900 -0.154 0.000 1.145 134 Y CA 1.592 59.527 58.100 -0.275 0.000 1.148 134 Y CB -0.282 38.039 38.460 -0.231 0.000 0.981 134 Y HN -0.050 nan 8.280 nan 0.000 0.507 135 R N -0.287 120.104 120.500 -0.181 0.000 2.103 135 R HA -0.230 4.110 4.340 -0.000 0.000 0.242 135 R C 2.276 178.455 176.300 -0.202 0.000 1.142 135 R CA 1.709 57.694 56.100 -0.191 0.000 0.960 135 R CB -0.259 30.029 30.300 -0.020 0.000 0.858 135 R HN 0.438 nan 8.270 nan 0.000 0.439 136 Q N 0.477 120.194 119.800 -0.137 0.000 2.020 136 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 136 Q C 2.185 178.093 176.000 -0.154 0.000 0.982 136 Q CA 1.192 56.935 55.803 -0.100 0.000 0.838 136 Q CB -0.574 28.130 28.738 -0.058 0.000 0.899 136 Q HN 0.220 nan 8.270 nan 0.000 0.423 137 L N 1.527 122.608 121.223 -0.236 0.000 2.079 137 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 137 L C 1.812 178.503 176.870 -0.298 0.000 1.081 137 L CA 2.221 56.904 54.840 -0.261 0.000 0.752 137 L CB -0.793 41.069 42.059 -0.329 0.000 0.896 137 L HN 0.154 nan 8.230 nan 0.000 0.433 138 D N -1.006 119.113 120.400 -0.469 0.000 2.097 138 D HA -0.264 4.376 4.640 -0.000 0.000 0.197 138 D C 2.184 178.374 176.300 -0.184 0.000 0.984 138 D CA 1.564 55.331 54.000 -0.389 0.000 0.826 138 D CB -0.168 40.289 40.800 -0.571 0.000 0.973 138 D HN 0.688 nan 8.370 nan 0.000 0.460 139 Q N -0.958 118.751 119.800 -0.152 0.000 2.369 139 Q HA -0.052 4.288 4.340 -0.000 0.000 0.206 139 Q C 1.289 177.284 176.000 -0.009 0.000 0.963 139 Q CA 1.266 57.033 55.803 -0.061 0.000 0.894 139 Q CB -0.032 28.681 28.738 -0.041 0.000 0.965 139 Q HN 0.094 nan 8.270 nan 0.000 0.475 140 T N 0.221 114.766 114.554 -0.015 0.000 2.983 140 T HA -0.014 4.336 4.350 -0.000 0.000 0.250 140 T C 1.672 176.411 174.700 0.065 0.000 1.037 140 T CA 1.239 63.364 62.100 0.043 0.000 1.142 140 T CB -0.123 68.759 68.868 0.024 0.000 0.876 140 T HN 0.373 nan 8.240 nan 0.000 0.455 141 T N 2.293 116.855 114.554 0.014 0.000 2.720 141 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 141 T C 2.053 176.826 174.700 0.122 0.000 1.037 141 T CA 1.294 63.433 62.100 0.066 0.000 1.144 141 T CB -0.250 68.614 68.868 -0.006 0.000 0.864 141 T HN 0.371 nan 8.240 nan 0.000 0.444 142 Q N 0.504 120.334 119.800 0.051 0.000 2.002 142 Q HA -0.076 4.264 4.340 -0.000 0.000 0.204 142 Q C 2.645 178.676 176.000 0.053 0.000 0.988 142 Q CA 1.509 57.336 55.803 0.040 0.000 0.843 142 Q CB -0.099 28.643 28.738 0.007 0.000 0.908 142 Q HN 0.403 nan 8.270 nan 0.000 0.420 143 R N -0.546 119.989 120.500 0.058 0.000 2.117 143 R HA -0.196 4.144 4.340 -0.000 0.000 0.243 143 R C 2.109 178.463 176.300 0.091 0.000 1.143 143 R CA 1.568 57.701 56.100 0.055 0.000 0.968 143 R CB -0.444 29.887 30.300 0.053 0.000 0.863 143 R HN 0.263 nan 8.270 nan 0.000 0.444 144 F N 2.143 122.089 119.950 -0.006 0.000 2.102 144 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 144 F C 1.734 177.531 175.800 -0.006 0.000 1.105 144 F CA 1.491 59.490 58.000 -0.002 0.000 1.239 144 F CB -0.273 38.726 39.000 -0.001 0.000 0.991 144 F HN -0.044 nan 8.300 nan 0.000 0.474 145 N N 0.143 118.788 118.700 -0.090 0.000 2.244 145 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 145 N C 1.647 177.039 175.510 -0.198 0.000 1.016 145 N CA 1.288 54.203 53.050 -0.225 0.000 0.866 145 N CB -0.480 37.977 38.487 -0.049 0.000 0.980 145 N HN 0.290 nan 8.380 nan 0.000 0.430 146 V N 0.293 120.138 119.914 -0.115 0.000 3.499 146 V HA 0.236 4.356 4.120 -0.000 0.000 0.308 146 V C 0.918 176.954 176.094 -0.098 0.000 1.319 146 V CA 0.635 62.878 62.300 -0.095 0.000 1.194 146 V CB -0.660 31.130 31.823 -0.055 0.000 1.072 146 V HN 0.493 nan 8.190 nan 0.000 0.426 147 G N 0.168 108.886 108.800 -0.136 0.000 2.143 147 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 147 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 147 G C 0.616 175.484 174.900 -0.053 0.000 0.991 147 G CA 0.654 45.686 45.100 -0.112 0.000 0.689 147 G HN 0.520 nan 8.290 nan 0.000 0.522 148 L N -1.308 119.896 121.223 -0.032 0.000 2.307 148 L HA 0.400 4.740 4.340 -0.000 0.000 0.211 148 L C 1.060 177.927 176.870 -0.005 0.000 1.099 148 L CA 0.560 55.386 54.840 -0.024 0.000 0.816 148 L CB 0.337 42.376 42.059 -0.033 0.000 0.952 148 L HN 0.200 nan 8.230 nan 0.000 0.455 149 V N -0.771 119.175 119.914 0.052 0.000 2.971 149 V HA 0.647 4.767 4.120 -0.000 0.000 0.309 149 V C -0.346 175.857 176.094 0.181 0.000 1.130 149 V CA -0.961 61.399 62.300 0.100 0.000 0.964 149 V CB 2.085 33.985 31.823 0.128 0.000 1.029 149 V HN 0.069 nan 8.190 nan 0.000 0.427 150 A N 2.613 125.532 122.820 0.165 0.000 2.272 150 A HA 0.508 4.828 4.320 -0.000 0.000 0.275 150 A C 1.109 178.811 177.584 0.196 0.000 1.096 150 A CA 0.086 52.246 52.037 0.204 0.000 0.822 150 A CB 0.110 19.187 19.000 0.128 0.000 1.088 150 A HN 1.056 nan 8.150 nan 0.000 0.495 151 I N 0.662 121.334 120.570 0.170 0.000 2.236 151 I HA -0.237 3.933 4.170 -0.000 0.000 0.249 151 I C 2.454 178.470 176.117 -0.167 0.000 1.102 151 I CA 2.833 64.008 61.300 -0.209 0.000 1.365 151 I CB -0.352 37.590 38.000 -0.097 0.000 1.051 151 I HN 0.822 nan 8.210 nan 0.000 0.420 152 T N -0.733 113.797 114.554 -0.040 0.000 2.746 152 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 152 T C 1.692 176.370 174.700 -0.036 0.000 1.039 152 T CA 2.028 64.110 62.100 -0.031 0.000 1.142 152 T CB -0.520 68.350 68.868 0.005 0.000 0.866 152 T HN 0.439 nan 8.240 nan 0.000 0.444 153 D N 0.621 121.018 120.400 -0.005 0.000 2.133 153 D HA -0.070 4.570 4.640 -0.000 0.000 0.195 153 D C 2.260 178.529 176.300 -0.051 0.000 0.997 153 D CA 1.066 55.065 54.000 -0.002 0.000 0.840 153 D CB -0.651 40.203 40.800 0.090 0.000 0.947 153 D HN 0.353 nan 8.370 nan 0.000 0.452 154 V N 0.256 120.107 119.914 -0.105 0.000 2.358 154 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 154 V C 2.379 178.400 176.094 -0.122 0.000 1.047 154 V CA 1.638 63.848 62.300 -0.150 0.000 1.035 154 V CB -0.438 31.201 31.823 -0.306 0.000 0.658 154 V HN 0.160 nan 8.190 nan 0.000 0.452 155 Q N -0.253 119.474 119.800 -0.123 0.000 2.119 155 Q HA -0.151 4.189 4.340 -0.000 0.000 0.201 155 Q C 2.201 178.173 176.000 -0.048 0.000 0.972 155 Q CA 1.536 57.288 55.803 -0.084 0.000 0.847 155 Q CB -0.159 28.530 28.738 -0.082 0.000 0.903 155 Q HN 0.601 nan 8.270 nan 0.000 0.433 156 N N 0.268 118.940 118.700 -0.046 0.000 2.142 156 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 156 N C 1.538 177.033 175.510 -0.024 0.000 1.023 156 N CA 1.304 54.334 53.050 -0.033 0.000 0.852 156 N CB -0.385 38.078 38.487 -0.041 0.000 0.998 156 N HN 0.244 nan 8.380 nan 0.000 0.424 157 A N 1.314 124.112 122.820 -0.037 0.000 1.940 157 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 157 A C 2.273 179.873 177.584 0.027 0.000 1.176 157 A CA 1.815 53.838 52.037 -0.024 0.000 0.631 157 A CB -0.415 18.549 19.000 -0.059 0.000 0.814 157 A HN 0.258 nan 8.150 nan 0.000 0.446 158 R N 0.351 120.862 120.500 0.018 0.000 2.066 158 R HA 0.063 4.403 4.340 -0.000 0.000 0.232 158 R C 2.090 178.457 176.300 0.112 0.000 1.131 158 R CA 2.088 58.234 56.100 0.077 0.000 0.955 158 R CB -1.128 29.190 30.300 0.029 0.000 0.851 158 R HN 0.319 nan 8.270 nan 0.000 0.432 159 A N 0.291 123.142 122.820 0.051 0.000 1.908 159 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 159 A C 2.212 179.823 177.584 0.044 0.000 1.181 159 A CA 1.826 53.885 52.037 0.036 0.000 0.627 159 A CB -0.660 18.347 19.000 0.011 0.000 0.818 159 A HN 0.612 nan 8.150 nan 0.000 0.445 160 Q N -2.533 117.301 119.800 0.057 0.000 2.137 160 Q HA -0.123 4.217 4.340 -0.000 0.000 0.198 160 Q C 1.893 177.949 176.000 0.093 0.000 0.960 160 Q CA 1.253 57.088 55.803 0.054 0.000 0.847 160 Q CB -0.245 28.516 28.738 0.037 0.000 0.915 160 Q HN 0.775 nan 8.270 nan 0.000 0.448 161 Y N 1.589 121.890 120.300 0.001 0.000 2.165 161 Y HA -0.276 4.274 4.550 -0.000 0.000 0.286 161 Y C 1.571 177.476 175.900 0.009 0.000 1.155 161 Y CA 1.898 60.007 58.100 0.016 0.000 1.164 161 Y CB -0.157 38.329 38.460 0.043 0.000 0.978 161 Y HN 0.184 nan 8.280 nan 0.000 0.513 162 D N -0.702 119.673 120.400 -0.041 0.000 2.116 162 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 162 D C 2.137 178.351 176.300 -0.142 0.000 0.998 162 D CA 2.184 56.108 54.000 -0.126 0.000 0.836 162 D CB -0.604 40.182 40.800 -0.022 0.000 0.951 162 D HN 0.366 nan 8.370 nan 0.000 0.449 163 T N 0.374 114.880 114.554 -0.079 0.000 2.699 163 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 163 T C 2.012 176.656 174.700 -0.093 0.000 1.036 163 T CA 1.017 63.078 62.100 -0.066 0.000 1.147 163 T CB -0.388 68.462 68.868 -0.030 0.000 0.862 163 T HN 0.010 nan 8.240 nan 0.000 0.446 164 V N 0.857 120.698 119.914 -0.121 0.000 2.719 164 V HA 0.026 4.146 4.120 -0.000 0.000 0.252 164 V C 2.179 178.156 176.094 -0.195 0.000 1.065 164 V CA 1.096 63.318 62.300 -0.129 0.000 1.086 164 V CB -0.488 31.284 31.823 -0.085 0.000 0.700 164 V HN 0.477 nan 8.190 nan 0.000 0.467 165 L N 0.330 121.362 121.223 -0.319 0.000 2.012 165 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 165 L C 2.787 179.558 176.870 -0.163 0.000 1.073 165 L CA 1.889 56.553 54.840 -0.293 0.000 0.748 165 L CB -0.840 40.999 42.059 -0.367 0.000 0.891 165 L HN 0.438 nan 8.230 nan 0.000 0.431 166 A N -0.288 122.452 122.820 -0.133 0.000 1.969 166 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 166 A C 2.015 179.558 177.584 -0.068 0.000 1.169 166 A CA 1.615 53.601 52.037 -0.085 0.000 0.635 166 A CB -0.474 18.485 19.000 -0.069 0.000 0.810 166 A HN 0.436 nan 8.150 nan 0.000 0.445 167 N N -0.416 118.242 118.700 -0.071 0.000 2.331 167 N HA -0.112 4.628 4.740 -0.000 0.000 0.180 167 N C 1.666 177.147 175.510 -0.049 0.000 1.019 167 N CA 1.135 54.156 53.050 -0.050 0.000 0.881 167 N CB -0.208 38.253 38.487 -0.042 0.000 0.972 167 N HN 0.749 nan 8.380 nan 0.000 0.435 168 E N 0.409 120.569 120.200 -0.067 0.000 2.072 168 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 168 E C 1.446 178.016 176.600 -0.049 0.000 0.985 168 E CA 0.520 56.884 56.400 -0.060 0.000 0.801 168 E CB 0.191 29.844 29.700 -0.078 0.000 0.750 168 E HN 0.038 nan 8.360 nan 0.000 0.452 169 L N 0.835 122.027 121.223 -0.051 0.000 2.042 169 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 169 L C 2.846 179.697 176.870 -0.032 0.000 1.076 169 L CA 2.295 57.110 54.840 -0.041 0.000 0.749 169 L CB -1.924 40.110 42.059 -0.042 0.000 0.893 169 L HN 0.336 nan 8.230 nan 0.000 0.432 170 T N -1.732 112.803 114.554 -0.031 0.000 2.942 170 T HA -0.019 4.331 4.350 -0.000 0.000 0.265 170 T C 1.909 176.597 174.700 -0.021 0.000 1.062 170 T CA 1.035 63.121 62.100 -0.023 0.000 1.139 170 T CB -0.027 68.829 68.868 -0.020 0.000 0.883 170 T HN 0.236 nan 8.240 nan 0.000 0.468 171 A N 1.548 124.354 122.820 -0.023 0.000 1.969 171 A HA 0.085 4.405 4.320 -0.000 0.000 0.218 171 A C 2.385 179.954 177.584 -0.025 0.000 1.169 171 A CA 1.757 53.781 52.037 -0.021 0.000 0.635 171 A CB -0.645 18.344 19.000 -0.018 0.000 0.810 171 A HN 0.595 nan 8.150 nan 0.000 0.445 172 R N 0.323 120.807 120.500 -0.027 0.000 2.093 172 R HA -0.059 4.281 4.340 -0.000 0.000 0.224 172 R C 1.837 178.126 176.300 -0.019 0.000 1.101 172 R CA 1.854 57.940 56.100 -0.024 0.000 0.979 172 R CB -0.686 29.599 30.300 -0.025 0.000 0.877 172 R HN 0.471 nan 8.270 nan 0.000 0.441 173 N N 0.330 119.019 118.700 -0.018 0.000 2.120 173 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 173 N C 1.083 176.585 175.510 -0.013 0.000 1.024 173 N CA 1.972 55.014 53.050 -0.013 0.000 0.852 173 N CB -0.259 38.220 38.487 -0.014 0.000 1.003 173 N HN 0.465 nan 8.380 nan 0.000 0.424 174 N N -0.617 118.073 118.700 -0.017 0.000 2.149 174 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 174 N C 1.420 176.915 175.510 -0.025 0.000 1.019 174 N CA 0.849 53.887 53.050 -0.019 0.000 0.857 174 N CB -0.085 38.390 38.487 -0.020 0.000 0.997 174 N HN 0.187 nan 8.380 nan 0.000 0.426 175 L N 1.418 122.624 121.223 -0.029 0.000 2.023 175 L HA -0.078 4.262 4.340 -0.000 0.000 0.205 175 L C 1.327 178.186 176.870 -0.019 0.000 1.073 175 L CA 1.829 56.647 54.840 -0.037 0.000 0.745 175 L CB -0.628 41.405 42.059 -0.043 0.000 0.900 175 L HN 0.022 nan 8.230 nan 0.000 0.435 176 D N 0.057 120.456 120.400 -0.001 0.000 2.149 176 D HA -0.211 4.429 4.640 -0.000 0.000 0.194 176 D C 1.800 178.113 176.300 0.023 0.000 1.001 176 D CA 1.465 55.478 54.000 0.022 0.000 0.849 176 D CB -0.273 40.538 40.800 0.018 0.000 0.939 176 D HN 0.409 nan 8.370 nan 0.000 0.449 177 N N -0.131 118.573 118.700 0.007 0.000 2.409 177 N HA 0.023 4.763 4.740 -0.000 0.000 0.179 177 N C 1.497 177.008 175.510 0.002 0.000 1.032 177 N CA 0.785 53.839 53.050 0.007 0.000 0.898 177 N CB -0.049 38.439 38.487 0.001 0.000 0.971 177 N HN 0.124 nan 8.380 nan 0.000 0.441 178 A N 0.050 122.862 122.820 -0.013 0.000 2.021 178 A HA 0.067 4.387 4.320 -0.000 0.000 0.216 178 A C 2.313 179.880 177.584 -0.029 0.000 1.163 178 A CA 0.467 52.487 52.037 -0.028 0.000 0.676 178 A CB -0.328 18.640 19.000 -0.055 0.000 0.818 178 A HN 0.066 nan 8.150 nan 0.000 0.453 179 V N 0.221 120.126 119.914 -0.016 0.000 2.427 179 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 179 V C 2.532 178.657 176.094 0.051 0.000 1.051 179 V CA 2.071 64.373 62.300 0.002 0.000 1.048 179 V CB -0.444 31.397 31.823 0.030 0.000 0.666 179 V HN 0.500 nan 8.190 nan 0.000 0.456 180 E N -0.595 119.638 120.200 0.055 0.000 2.072 180 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 180 E C 2.318 178.944 176.600 0.044 0.000 0.985 180 E CA 0.774 57.209 56.400 0.059 0.000 0.801 180 E CB -0.367 29.360 29.700 0.045 0.000 0.750 180 E HN 0.498 nan 8.360 nan 0.000 0.452 181 Q N 0.545 120.361 119.800 0.026 0.000 2.173 181 Q HA -0.144 4.196 4.340 -0.000 0.000 0.208 181 Q C 2.218 178.236 176.000 0.031 0.000 0.989 181 Q CA 0.820 56.637 55.803 0.022 0.000 0.872 181 Q CB -0.496 28.247 28.738 0.009 0.000 0.909 181 Q HN 0.294 nan 8.270 nan 0.000 0.420 182 L N 0.173 121.415 121.223 0.032 0.000 2.131 182 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 182 L C 2.454 179.380 176.870 0.093 0.000 1.087 182 L CA 1.034 55.901 54.840 0.045 0.000 0.767 182 L CB -0.286 41.779 42.059 0.010 0.000 0.917 182 L HN 0.217 nan 8.230 nan 0.000 0.441 183 R N -0.061 120.501 120.500 0.103 0.000 2.120 183 R HA -0.255 4.085 4.340 -0.000 0.000 0.234 183 R C 2.180 178.527 176.300 0.078 0.000 1.123 183 R CA 1.856 58.023 56.100 0.111 0.000 0.975 183 R CB -0.160 30.210 30.300 0.116 0.000 0.866 183 R HN 0.517 nan 8.270 nan 0.000 0.446 184 Q N 0.297 120.133 119.800 0.061 0.000 2.124 184 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 184 Q C 1.911 177.940 176.000 0.047 0.000 0.977 184 Q CA 1.476 57.306 55.803 0.046 0.000 0.850 184 Q CB 0.040 28.800 28.738 0.036 0.000 0.901 184 Q HN 0.433 nan 8.270 nan 0.000 0.429 185 I N -0.629 119.974 120.570 0.054 0.000 2.876 185 I HA -0.109 4.061 4.170 -0.000 0.000 0.264 185 I C 1.775 177.930 176.117 0.064 0.000 1.204 185 I CA 0.852 62.184 61.300 0.054 0.000 1.485 185 I CB 0.081 38.112 38.000 0.052 0.000 1.103 185 I HN 0.208 nan 8.210 nan 0.000 0.446 186 T N -1.079 113.525 114.554 0.084 0.000 2.999 186 T HA 0.252 4.602 4.350 -0.000 0.000 0.247 186 T C 1.400 176.154 174.700 0.090 0.000 1.012 186 T CA 0.966 63.135 62.100 0.115 0.000 1.048 186 T CB 0.593 69.588 68.868 0.211 0.000 1.020 186 T HN 0.513 nan 8.240 nan 0.000 0.478 187 G N 1.680 110.521 108.800 0.068 0.000 2.336 187 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.233 187 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.233 187 G C 0.104 175.013 174.900 0.015 0.000 1.053 187 G CA -0.086 45.035 45.100 0.035 0.000 0.625 187 G HN 0.497 nan 8.290 nan 0.000 0.511 188 N N -0.015 118.685 118.700 0.000 0.000 2.456 188 N HA 0.530 5.270 4.740 -0.000 0.000 0.296 188 N C -0.853 174.587 175.510 -0.116 0.000 1.102 188 N CA -0.404 52.554 53.050 -0.153 0.000 0.924 188 N CB 1.428 39.639 38.487 -0.460 0.000 1.186 188 N HN 0.359 nan 8.380 nan 0.000 0.492 189 Y N 1.657 121.816 120.300 -0.235 0.000 2.313 189 Y HA 0.313 4.863 4.550 -0.000 0.000 0.332 189 Y C -1.164 174.580 175.900 -0.260 0.000 1.071 189 Y CA -0.470 57.546 58.100 -0.140 0.000 1.169 189 Y CB 0.354 38.766 38.460 -0.080 0.000 1.192 189 Y HN 0.401 nan 8.280 nan 0.000 0.487 190 Y N 8.218 128.049 120.300 -0.783 0.000 2.328 190 Y HA 0.329 4.879 4.550 -0.000 0.000 0.337 190 Y C -1.721 173.726 175.900 -0.755 0.000 0.966 190 Y CA -2.350 55.420 58.100 -0.550 0.000 1.136 190 Y CB 1.508 39.794 38.460 -0.290 0.000 1.170 190 Y HN 0.554 nan 8.280 nan 0.000 0.470 191 P HA -0.013 nan 4.420 nan 0.000 0.235 191 P C -0.828 176.436 177.300 -0.061 0.000 1.177 191 P CA 0.788 63.813 63.100 -0.125 0.000 0.785 191 P CB 0.766 32.511 31.700 0.075 0.000 0.885 192 E N -0.819 119.360 120.200 -0.034 0.000 2.372 192 E HA 0.569 4.919 4.350 -0.000 0.000 0.279 192 E C -1.111 175.467 176.600 -0.037 0.000 0.946 192 E CA -0.959 55.421 56.400 -0.033 0.000 0.769 192 E CB 1.423 31.122 29.700 -0.003 0.000 1.230 192 E HN -0.134 nan 8.360 nan 0.000 0.442 193 L N 0.467 121.631 121.223 -0.098 0.000 2.271 193 L HA 0.781 5.121 4.340 -0.000 0.000 0.265 193 L C -0.219 176.641 176.870 -0.016 0.000 1.013 193 L CA -1.526 53.243 54.840 -0.119 0.000 0.820 193 L CB 1.781 43.588 42.059 -0.420 0.000 1.352 193 L HN 0.765 nan 8.230 nan 0.000 0.443 194 A N 0.899 123.777 122.820 0.097 0.000 2.302 194 A HA 0.656 4.976 4.320 -0.000 0.000 0.295 194 A C 0.182 177.865 177.584 0.165 0.000 1.235 194 A CA -0.307 51.811 52.037 0.135 0.000 0.876 194 A CB 0.345 19.442 19.000 0.162 0.000 1.133 194 A HN 0.710 nan 8.150 nan 0.000 0.533 195 A N 2.364 125.251 122.820 0.112 0.000 2.386 195 A HA 0.481 4.801 4.320 -0.000 0.000 0.248 195 A C 0.291 177.994 177.584 0.199 0.000 1.082 195 A CA -0.406 51.711 52.037 0.133 0.000 0.789 195 A CB 0.025 19.072 19.000 0.078 0.000 1.025 195 A HN 1.477 nan 8.150 nan 0.000 0.490 196 L N 1.457 122.829 121.223 0.248 0.000 2.499 196 L HA 0.069 4.409 4.340 -0.000 0.000 0.273 196 L C 0.603 177.545 176.870 0.119 0.000 1.195 196 L CA 0.470 55.438 54.840 0.214 0.000 0.882 196 L CB -0.084 42.059 42.059 0.140 0.000 1.133 196 L HN 0.761 nan 8.230 nan 0.000 0.483 197 N N 3.251 122.031 118.700 0.133 0.000 2.399 197 N HA 0.171 4.911 4.740 -0.000 0.000 0.259 197 N C 0.868 176.442 175.510 0.106 0.000 1.160 197 N CA -0.156 52.958 53.050 0.106 0.000 0.946 197 N CB 0.712 39.267 38.487 0.112 0.000 1.156 197 N HN 0.658 nan 8.380 nan 0.000 0.489 198 V N 1.264 121.212 119.914 0.056 0.000 3.174 198 V HA 0.030 4.150 4.120 -0.000 0.000 0.254 198 V C 1.705 177.842 176.094 0.071 0.000 1.120 198 V CA 0.530 62.849 62.300 0.031 0.000 1.114 198 V CB -0.167 31.631 31.823 -0.041 0.000 0.756 198 V HN 0.631 nan 8.190 nan 0.000 0.467 199 E N 1.373 121.611 120.200 0.063 0.000 2.106 199 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 199 E C 1.157 177.796 176.600 0.065 0.000 0.984 199 E CA 1.225 57.659 56.400 0.056 0.000 0.806 199 E CB -0.372 29.353 29.700 0.041 0.000 0.750 199 E HN 0.631 nan 8.360 nan 0.000 0.458 200 N N 0.223 118.971 118.700 0.080 0.000 2.270 200 N HA 0.037 4.777 4.740 -0.000 0.000 0.198 200 N C -0.559 174.990 175.510 0.064 0.000 1.117 200 N CA -0.203 52.883 53.050 0.061 0.000 0.845 200 N CB 0.163 38.678 38.487 0.046 0.000 0.980 200 N HN 0.004 nan 8.380 nan 0.000 0.486 201 F N 2.827 122.754 119.950 -0.037 0.000 2.541 201 F HA 0.045 4.572 4.527 -0.000 0.000 0.378 201 F C 0.160 175.909 175.800 -0.085 0.000 1.068 201 F CA -0.025 57.937 58.000 -0.065 0.000 1.199 201 F CB 0.250 39.193 39.000 -0.093 0.000 1.091 201 F HN -0.137 nan 8.300 nan 0.000 0.555 202 K N 2.765 122.708 120.400 -0.762 0.000 2.435 202 K HA 0.631 4.951 4.320 -0.000 0.000 0.251 202 K C -0.563 175.492 176.600 -0.908 0.000 0.954 202 K CA -1.042 54.880 56.287 -0.608 0.000 0.820 202 K CB 1.696 34.015 32.500 -0.301 0.000 1.292 202 K HN 0.496 nan 8.250 nan 0.000 0.436 203 T N -1.974 112.194 114.554 -0.644 0.000 2.940 203 T HA 0.497 4.847 4.350 -0.000 0.000 0.288 203 T C -0.825 173.744 174.700 -0.219 0.000 1.033 203 T CA -0.841 60.898 62.100 -0.602 0.000 1.033 203 T CB 1.123 69.532 68.868 -0.764 0.000 1.079 203 T HN 0.457 nan 8.240 nan 0.000 0.496 204 D N 1.162 121.557 120.400 -0.009 0.000 2.619 204 D HA 0.348 4.988 4.640 -0.000 0.000 0.241 204 D C -0.501 175.837 176.300 0.062 0.000 1.087 204 D CA -0.745 53.265 54.000 0.018 0.000 0.851 204 D CB 2.105 42.923 40.800 0.031 0.000 1.474 204 D HN 0.312 nan 8.370 nan 0.000 0.478 205 K N 2.379 122.794 120.400 0.023 0.000 2.448 205 K HA 0.206 4.526 4.320 -0.000 0.000 0.278 205 K C -1.867 174.761 176.600 0.046 0.000 1.009 205 K CA -1.094 55.206 56.287 0.022 0.000 0.995 205 K CB -0.099 32.410 32.500 0.014 0.000 0.917 205 K HN 0.269 nan 8.250 nan 0.000 0.481 206 P HA 0.066 nan 4.420 nan 0.000 0.274 206 P C -0.463 176.935 177.300 0.164 0.000 1.260 206 P CA -0.471 62.689 63.100 0.100 0.000 0.793 206 P CB 0.525 32.293 31.700 0.114 0.000 1.048 207 Q N 0.219 120.110 119.800 0.152 0.000 2.421 207 Q HA 0.212 4.552 4.340 -0.000 0.000 0.255 207 Q C -1.915 174.193 176.000 0.179 0.000 1.013 207 Q CA -1.509 54.367 55.803 0.122 0.000 0.895 207 Q CB -1.173 27.604 28.738 0.065 0.000 1.271 207 Q HN 0.337 nan 8.270 nan 0.000 0.460 208 P HA -0.107 nan 4.420 nan 0.000 0.266 208 P C 0.867 178.035 177.300 -0.220 0.000 1.186 208 P CA 0.163 63.274 63.100 0.019 0.000 0.767 208 P CB 0.530 32.227 31.700 -0.005 0.000 0.820 209 V N 3.068 122.594 119.914 -0.646 0.000 2.490 209 V HA -0.271 3.849 4.120 -0.000 0.000 0.250 209 V C 1.732 177.622 176.094 -0.341 0.000 1.061 209 V CA 2.134 63.959 62.300 -0.791 0.000 1.064 209 V CB -1.046 29.971 31.823 -1.343 0.000 0.670 209 V HN 0.543 nan 8.190 nan 0.000 0.461 210 N N 0.200 118.765 118.700 -0.225 0.000 2.120 210 N HA -0.147 4.593 4.740 -0.000 0.000 0.188 210 N C 1.961 177.419 175.510 -0.086 0.000 1.024 210 N CA 1.251 54.227 53.050 -0.124 0.000 0.852 210 N CB -0.348 38.089 38.487 -0.083 0.000 1.003 210 N HN 0.535 nan 8.380 nan 0.000 0.424 211 A N 1.326 124.098 122.820 -0.079 0.000 1.908 211 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 211 A C 2.148 179.708 177.584 -0.040 0.000 1.181 211 A CA 1.164 53.174 52.037 -0.044 0.000 0.627 211 A CB -0.755 18.230 19.000 -0.025 0.000 0.818 211 A HN 0.176 nan 8.150 nan 0.000 0.445 212 L N -0.765 120.422 121.223 -0.059 0.000 2.141 212 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 212 L C 2.485 179.327 176.870 -0.046 0.000 1.094 212 L CA 0.750 55.565 54.840 -0.042 0.000 0.763 212 L CB -0.459 41.577 42.059 -0.037 0.000 0.908 212 L HN 0.358 nan 8.230 nan 0.000 0.437 213 L N -0.515 120.666 121.223 -0.070 0.000 2.056 213 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 213 L C 2.633 179.493 176.870 -0.016 0.000 1.078 213 L CA 1.310 56.120 54.840 -0.050 0.000 0.749 213 L CB -0.470 41.549 42.059 -0.066 0.000 0.901 213 L HN 0.166 nan 8.230 nan 0.000 0.433 214 K N 0.138 120.527 120.400 -0.017 0.000 2.009 214 K HA -0.267 4.053 4.320 -0.000 0.000 0.210 214 K C 2.089 178.690 176.600 0.001 0.000 1.049 214 K CA 1.929 58.214 56.287 -0.003 0.000 0.929 214 K CB -0.080 32.414 32.500 -0.009 0.000 0.714 214 K HN 0.150 nan 8.250 nan 0.000 0.440 215 E N 0.491 120.688 120.200 -0.004 0.000 2.204 215 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 215 E C 1.485 178.087 176.600 0.004 0.000 0.990 215 E CA 1.331 57.731 56.400 0.000 0.000 0.821 215 E CB 0.002 29.701 29.700 -0.002 0.000 0.750 215 E HN 0.320 nan 8.360 nan 0.000 0.477 216 A N -0.004 122.818 122.820 0.002 0.000 2.021 216 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 216 A C 1.935 179.532 177.584 0.023 0.000 1.163 216 A CA 1.002 53.043 52.037 0.006 0.000 0.676 216 A CB -0.263 18.734 19.000 -0.005 0.000 0.818 216 A HN 0.210 nan 8.150 nan 0.000 0.453 217 E N 0.074 120.295 120.200 0.034 0.000 2.204 217 E HA -0.071 4.279 4.350 -0.000 0.000 0.194 217 E C 1.945 178.566 176.600 0.035 0.000 0.989 217 E CA 1.069 57.503 56.400 0.056 0.000 0.824 217 E CB -0.035 29.705 29.700 0.067 0.000 0.756 217 E HN 0.564 nan 8.360 nan 0.000 0.477 218 K N -0.544 119.870 120.400 0.023 0.000 2.076 218 K HA 0.090 4.410 4.320 -0.000 0.000 0.204 218 K C 1.720 178.331 176.600 0.018 0.000 1.051 218 K CA 0.719 57.017 56.287 0.018 0.000 0.949 218 K CB 0.309 32.817 32.500 0.013 0.000 0.726 218 K HN -0.090 nan 8.250 nan 0.000 0.443 219 R N -0.056 120.454 120.500 0.017 0.000 2.453 219 R HA 0.089 4.429 4.340 -0.000 0.000 0.233 219 R C 0.017 176.325 176.300 0.014 0.000 0.895 219 R CA -0.159 55.950 56.100 0.015 0.000 1.028 219 R CB 0.167 30.473 30.300 0.010 0.000 1.255 219 R HN 0.084 nan 8.270 nan 0.000 0.571 220 N N 1.544 120.253 118.700 0.015 0.000 2.412 220 N HA -0.075 4.665 4.740 -0.000 0.000 0.258 220 N C 1.205 176.725 175.510 0.016 0.000 1.236 220 N CA 0.215 53.272 53.050 0.013 0.000 0.882 220 N CB 0.575 39.070 38.487 0.013 0.000 1.066 220 N HN 0.032 nan 8.380 nan 0.000 0.465 221 L N 1.747 122.978 121.223 0.012 0.000 2.156 221 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 221 L C 2.038 178.920 176.870 0.019 0.000 1.095 221 L CA 0.644 55.494 54.840 0.016 0.000 0.770 221 L CB -0.317 41.748 42.059 0.010 0.000 0.914 221 L HN 0.568 nan 8.230 nan 0.000 0.439 222 S N 0.433 116.142 115.700 0.015 0.000 2.406 222 S HA -0.073 4.397 4.470 -0.000 0.000 0.228 222 S C 1.606 176.219 174.600 0.021 0.000 1.020 222 S CA 1.068 59.278 58.200 0.017 0.000 0.965 222 S CB -0.014 63.193 63.200 0.011 0.000 0.798 222 S HN 0.358 nan 8.310 nan 0.000 0.488 223 L N -0.127 121.111 121.223 0.025 0.000 2.554 223 L HA 0.414 4.754 4.340 -0.000 0.000 0.225 223 L C 1.597 178.484 176.870 0.030 0.000 1.104 223 L CA 0.784 55.643 54.840 0.032 0.000 0.866 223 L CB -1.408 40.680 42.059 0.050 0.000 1.047 223 L HN 0.134 nan 8.230 nan 0.000 0.468 224 L N 0.452 121.692 121.223 0.028 0.000 1.994 224 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 224 L C 2.741 179.628 176.870 0.029 0.000 1.071 224 L CA 2.132 56.990 54.840 0.029 0.000 0.745 224 L CB -0.763 41.315 42.059 0.032 0.000 0.892 224 L HN 0.576 nan 8.230 nan 0.000 0.431 225 Q N -0.788 119.029 119.800 0.029 0.000 2.112 225 Q HA -0.255 4.085 4.340 -0.000 0.000 0.206 225 Q C 2.085 178.098 176.000 0.021 0.000 0.987 225 Q CA 1.968 57.787 55.803 0.027 0.000 0.858 225 Q CB -0.247 28.508 28.738 0.028 0.000 0.905 225 Q HN 0.686 nan 8.270 nan 0.000 0.420 226 A N 0.686 123.517 122.820 0.018 0.000 1.972 226 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 226 A C 2.040 179.628 177.584 0.008 0.000 1.169 226 A CA 1.225 53.268 52.037 0.010 0.000 0.635 226 A CB -0.399 18.607 19.000 0.010 0.000 0.810 226 A HN 0.318 nan 8.150 nan 0.000 0.446 227 R N -0.648 119.861 120.500 0.015 0.000 2.066 227 R HA 0.015 4.355 4.340 -0.000 0.000 0.232 227 R C 2.058 178.376 176.300 0.029 0.000 1.131 227 R CA 1.292 57.403 56.100 0.019 0.000 0.955 227 R CB -0.477 29.836 30.300 0.021 0.000 0.851 227 R HN 0.510 nan 8.270 nan 0.000 0.432 228 L N 0.111 121.352 121.223 0.029 0.000 2.079 228 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 228 L C 2.237 179.126 176.870 0.031 0.000 1.081 228 L CA 1.159 56.017 54.840 0.030 0.000 0.752 228 L CB -0.347 41.727 42.059 0.026 0.000 0.896 228 L HN 0.154 nan 8.230 nan 0.000 0.433 229 S N -1.157 114.558 115.700 0.025 0.000 2.481 229 S HA -0.171 4.299 4.470 -0.000 0.000 0.231 229 S C 1.828 176.449 174.600 0.035 0.000 0.996 229 S CA 0.807 59.021 58.200 0.024 0.000 0.942 229 S CB 0.006 63.214 63.200 0.013 0.000 0.768 229 S HN 0.414 nan 8.310 nan 0.000 0.520 230 Q N 0.521 120.344 119.800 0.039 0.000 2.123 230 Q HA -0.089 4.251 4.340 -0.000 0.000 0.196 230 Q C 1.590 177.709 176.000 0.199 0.000 0.958 230 Q CA 1.033 56.875 55.803 0.064 0.000 0.841 230 Q CB -0.069 28.675 28.738 0.010 0.000 0.915 230 Q HN 0.374 nan 8.270 nan 0.000 0.455 231 D N 0.429 120.909 120.400 0.132 0.000 2.106 231 D HA -0.211 4.429 4.640 -0.000 0.000 0.191 231 D C 1.872 178.228 176.300 0.093 0.000 0.997 231 D CA 0.957 55.023 54.000 0.110 0.000 0.834 231 D CB -0.212 40.626 40.800 0.064 0.000 0.956 231 D HN 0.194 nan 8.370 nan 0.000 0.448 232 L N 0.219 121.485 121.223 0.071 0.000 2.081 232 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 232 L C 1.981 178.898 176.870 0.079 0.000 1.080 232 L CA 1.973 56.846 54.840 0.054 0.000 0.754 232 L CB -0.859 41.219 42.059 0.033 0.000 0.893 232 L HN 0.104 nan 8.230 nan 0.000 0.433 233 A N -0.617 122.286 122.820 0.139 0.000 2.067 233 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 233 A C 2.405 180.117 177.584 0.213 0.000 1.156 233 A CA 0.927 53.081 52.037 0.195 0.000 0.683 233 A CB -0.435 18.709 19.000 0.241 0.000 0.808 233 A HN 0.452 nan 8.150 nan 0.000 0.455 234 R N -0.590 120.008 120.500 0.163 0.000 2.080 234 R HA -0.054 4.286 4.340 -0.000 0.000 0.222 234 R C 1.960 178.214 176.300 -0.076 0.000 1.107 234 R CA 1.307 57.353 56.100 -0.091 0.000 0.980 234 R CB -0.093 30.126 30.300 -0.136 0.000 0.879 234 R HN 0.465 nan 8.270 nan 0.000 0.439 235 E N 0.658 120.850 120.200 -0.014 0.000 2.268 235 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 235 E C 1.685 178.279 176.600 -0.011 0.000 0.995 235 E CA 1.266 57.657 56.400 -0.015 0.000 0.836 235 E CB 0.137 29.838 29.700 0.002 0.000 0.763 235 E HN 0.323 nan 8.360 nan 0.000 0.491 236 Q N -0.642 119.161 119.800 0.006 0.000 2.245 236 Q HA 0.009 4.349 4.340 -0.000 0.000 0.201 236 Q C 1.893 177.888 176.000 -0.008 0.000 0.955 236 Q CA 0.851 56.659 55.803 0.009 0.000 0.870 236 Q CB 0.090 28.849 28.738 0.034 0.000 0.945 236 Q HN 0.386 nan 8.270 nan 0.000 0.461 237 I N -0.128 120.425 120.570 -0.029 0.000 2.286 237 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 237 I C 2.261 178.348 176.117 -0.050 0.000 1.104 237 I CA 0.965 62.233 61.300 -0.053 0.000 1.397 237 I CB -0.085 37.848 38.000 -0.111 0.000 1.072 237 I HN 0.093 nan 8.210 nan 0.000 0.417 238 R N 0.351 120.820 120.500 -0.052 0.000 2.096 238 R HA -0.248 4.092 4.340 -0.000 0.000 0.235 238 R C 2.274 178.559 176.300 -0.026 0.000 1.127 238 R CA 1.739 57.816 56.100 -0.038 0.000 0.968 238 R CB -0.413 29.863 30.300 -0.040 0.000 0.861 238 R HN 0.508 nan 8.270 nan 0.000 0.440 239 Q N 0.354 120.140 119.800 -0.024 0.000 2.167 239 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 239 Q C 1.814 177.794 176.000 -0.034 0.000 0.970 239 Q CA 1.590 57.380 55.803 -0.022 0.000 0.855 239 Q CB -0.016 28.712 28.738 -0.017 0.000 0.911 239 Q HN 0.314 nan 8.270 nan 0.000 0.438 240 A N 0.586 123.381 122.820 -0.040 0.000 1.930 240 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 240 A C 1.932 179.463 177.584 -0.088 0.000 1.176 240 A CA 1.095 53.095 52.037 -0.063 0.000 0.632 240 A CB -0.340 18.627 19.000 -0.055 0.000 0.819 240 A HN 0.521 nan 8.150 nan 0.000 0.445 241 Q N -0.167 119.603 119.800 -0.050 0.000 2.291 241 Q HA -0.177 4.163 4.340 -0.000 0.000 0.206 241 Q C 0.972 176.978 176.000 0.010 0.000 0.976 241 Q CA 1.245 57.043 55.803 -0.008 0.000 0.875 241 Q CB -0.161 28.594 28.738 0.027 0.000 0.927 241 Q HN 0.566 nan 8.270 nan 0.000 0.450 242 D N -0.149 120.244 120.400 -0.012 0.000 2.218 242 D HA -0.109 4.531 4.640 -0.000 0.000 0.204 242 D C 1.807 178.098 176.300 -0.014 0.000 0.976 242 D CA 1.191 55.193 54.000 0.003 0.000 0.853 242 D CB -0.462 40.332 40.800 -0.009 0.000 0.939 242 D HN 0.391 nan 8.370 nan 0.000 0.481 243 G N -0.407 108.341 108.800 -0.087 0.000 2.479 243 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 243 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 243 G C 1.280 176.125 174.900 -0.092 0.000 1.115 243 G CA 0.698 45.728 45.100 -0.118 0.000 0.757 243 G HN 0.432 nan 8.290 nan 0.000 0.560 244 H N -0.676 118.395 119.070 0.002 0.000 2.470 244 H HA 0.226 4.782 4.556 -0.000 0.000 0.289 244 H C 0.998 176.339 175.328 0.022 0.000 1.033 244 H CA -0.398 55.658 56.048 0.013 0.000 1.331 244 H CB 0.110 29.881 29.762 0.015 0.000 1.414 244 H HN 0.195 nan 8.280 nan 0.000 0.545 245 L N 2.726 124.035 121.223 0.144 0.000 2.452 245 L HA 0.168 4.508 4.340 -0.000 0.000 0.267 245 L C -1.928 174.975 176.870 0.056 0.000 1.188 245 L CA -2.104 52.807 54.840 0.119 0.000 0.821 245 L CB 0.250 42.402 42.059 0.154 0.000 1.102 245 L HN 0.034 nan 8.230 nan 0.000 0.470 246 P HA 0.077 nan 4.420 nan 0.000 0.280 246 P C -0.623 176.582 177.300 -0.159 0.000 1.244 246 P CA -0.315 62.669 63.100 -0.194 0.000 0.784 246 P CB 1.187 32.696 31.700 -0.319 0.000 0.913 247 T N 2.872 117.268 114.554 -0.263 0.000 2.795 247 T HA 0.387 4.737 4.350 -0.000 0.000 0.282 247 T C -0.474 174.113 174.700 -0.189 0.000 0.980 247 T CA -0.776 61.253 62.100 -0.118 0.000 1.012 247 T CB 0.050 68.883 68.868 -0.059 0.000 0.936 247 T HN 0.269 nan 8.240 nan 0.000 0.457 248 L N 4.976 126.208 121.223 0.015 0.000 2.337 248 L HA 0.440 4.780 4.340 -0.000 0.000 0.269 248 L C -0.752 176.182 176.870 0.107 0.000 1.018 248 L CA -0.573 54.316 54.840 0.081 0.000 0.876 248 L CB 1.008 43.169 42.059 0.169 0.000 1.236 248 L HN 0.786 nan 8.230 nan 0.000 0.436 249 D N 3.338 123.784 120.400 0.077 0.000 2.478 249 D HA 0.560 5.200 4.640 -0.000 0.000 0.263 249 D C -0.568 175.773 176.300 0.068 0.000 1.153 249 D CA -0.225 53.813 54.000 0.064 0.000 1.038 249 D CB 2.472 43.296 40.800 0.040 0.000 1.120 249 D HN 0.306 nan 8.370 nan 0.000 0.564 250 L N 0.012 121.266 121.223 0.051 0.000 2.470 250 L HA 0.416 4.756 4.340 -0.000 0.000 0.268 250 L C -0.904 175.987 176.870 0.034 0.000 0.964 250 L CA -0.266 54.602 54.840 0.047 0.000 0.839 250 L CB 1.763 43.850 42.059 0.047 0.000 1.276 250 L HN 0.394 nan 8.230 nan 0.000 0.403 251 T N 2.096 116.670 114.554 0.032 0.000 2.945 251 T HA 0.938 5.288 4.350 -0.000 0.000 0.286 251 T C -0.423 174.291 174.700 0.023 0.000 1.025 251 T CA -0.535 61.580 62.100 0.025 0.000 1.039 251 T CB 1.937 70.820 68.868 0.025 0.000 1.068 251 T HN 0.812 nan 8.240 nan 0.000 0.497 252 A N 1.266 124.097 122.820 0.018 0.000 2.566 252 A HA 0.789 5.109 4.320 -0.000 0.000 0.297 252 A C -0.613 176.980 177.584 0.015 0.000 1.059 252 A CA -0.909 51.138 52.037 0.017 0.000 0.691 252 A CB 1.334 20.344 19.000 0.016 0.000 1.282 252 A HN 1.047 nan 8.150 nan 0.000 0.401 253 S N -0.110 115.599 115.700 0.015 0.000 2.625 253 S HA 0.852 5.322 4.470 -0.000 0.000 0.271 253 S C -0.672 173.936 174.600 0.013 0.000 1.161 253 S CA -0.508 57.700 58.200 0.014 0.000 0.820 253 S CB 1.879 65.088 63.200 0.014 0.000 1.137 253 S HN 1.564 nan 8.310 nan 0.000 0.470 254 T N 0.412 114.973 114.554 0.013 0.000 3.160 254 T HA 0.608 4.958 4.350 -0.000 0.000 0.344 254 T C -0.465 174.244 174.700 0.014 0.000 0.981 254 T CA -0.178 61.930 62.100 0.013 0.000 1.170 254 T CB -0.197 68.678 68.868 0.012 0.000 1.016 254 T HN 1.107 nan 8.240 nan 0.000 0.492 255 G N 4.484 113.293 108.800 0.015 0.000 2.530 255 G HA2 0.657 4.617 3.960 -0.000 0.000 0.316 255 G HA3 0.657 4.617 3.960 -0.000 0.000 0.316 255 G C -0.131 174.780 174.900 0.018 0.000 1.298 255 G CA -0.992 44.118 45.100 0.017 0.000 0.948 255 G HN 0.974 nan 8.290 nan 0.000 0.486 256 I N 0.418 120.999 120.570 0.019 0.000 2.612 256 I HA 0.826 4.996 4.170 -0.000 0.000 0.295 256 I C 0.028 176.159 176.117 0.024 0.000 1.011 256 I CA -0.666 60.646 61.300 0.021 0.000 1.326 256 I CB 2.100 40.112 38.000 0.020 0.000 1.427 256 I HN 0.456 nan 8.210 nan 0.000 0.537 257 S N 1.897 117.613 115.700 0.027 0.000 2.652 257 S HA 0.369 4.839 4.470 -0.000 0.000 0.273 257 S C -0.807 173.811 174.600 0.031 0.000 1.172 257 S CA -0.856 57.361 58.200 0.029 0.000 1.009 257 S CB 1.517 64.734 63.200 0.027 0.000 1.094 257 S HN 0.739 nan 8.310 nan 0.000 0.471 258 D N 2.494 122.913 120.400 0.030 0.000 1.821 258 D HA 0.396 5.036 4.640 -0.000 0.000 0.307 258 D C -0.231 176.078 176.300 0.015 0.000 1.054 258 D CA 1.304 55.322 54.000 0.030 0.000 0.832 258 D CB -0.456 40.363 40.800 0.033 0.000 1.150 258 D HN 1.032 nan 8.370 nan 0.000 0.407 259 T N -1.131 113.413 114.554 -0.015 0.000 1.336 259 T HA 0.039 4.389 4.350 -0.000 0.000 0.693 259 T C -0.596 174.053 174.700 -0.085 0.000 0.963 259 T CA 0.038 62.067 62.100 -0.117 0.000 3.663 259 T CB -1.590 67.168 68.868 -0.183 0.000 2.108 259 T HN 0.373 nan 8.240 nan 0.000 0.429 260 S N 2.985 118.620 115.700 -0.108 0.000 2.498 260 S HA 0.777 5.247 4.470 -0.000 0.000 0.317 260 S C -0.349 174.224 174.600 -0.046 0.000 1.090 260 S CA -0.870 57.331 58.200 0.003 0.000 1.089 260 S CB 0.869 64.094 63.200 0.041 0.000 0.997 260 S HN 0.524 nan 8.310 nan 0.000 0.470 261 Y N 2.127 122.475 120.300 0.079 0.000 2.392 261 Y HA 0.780 5.330 4.550 -0.000 0.000 0.323 261 Y C 1.127 177.061 175.900 0.056 0.000 1.291 261 Y CA -0.268 57.873 58.100 0.069 0.000 1.345 261 Y CB 1.226 39.730 38.460 0.073 0.000 1.320 261 Y HN 1.044 nan 8.280 nan 0.000 0.518 262 S N -0.897 114.926 115.700 0.205 0.000 2.627 262 S HA 0.701 5.171 4.470 -0.000 0.000 0.268 262 S C -0.474 174.176 174.600 0.083 0.000 1.130 262 S CA -0.206 58.067 58.200 0.120 0.000 0.819 262 S CB 1.033 64.294 63.200 0.102 0.000 1.100 262 S HN 2.004 nan 8.310 nan 0.000 0.465 263 G N 1.325 110.161 108.800 0.059 0.000 2.582 263 G HA2 0.001 3.961 3.960 -0.000 0.000 0.222 263 G HA3 0.001 3.961 3.960 -0.000 0.000 0.222 263 G C 0.700 175.611 174.900 0.019 0.000 1.311 263 G CA 0.649 45.772 45.100 0.039 0.000 0.915 263 G HN 2.098 nan 8.290 nan 0.000 0.528 264 S N -0.632 115.072 115.700 0.007 0.000 2.377 264 S HA 0.079 4.549 4.470 -0.000 0.000 0.223 264 S C 1.550 176.142 174.600 -0.013 0.000 1.030 264 S CA 1.774 59.975 58.200 0.001 0.000 0.970 264 S CB -0.013 63.190 63.200 0.005 0.000 0.830 264 S HN 0.756 nan 8.310 nan 0.000 0.473 265 K N 1.837 122.212 120.400 -0.042 0.000 3.100 265 K HA 0.325 4.645 4.320 -0.000 0.000 0.256 265 K C 1.033 177.560 176.600 -0.122 0.000 1.146 265 K CA 0.079 56.327 56.287 -0.066 0.000 1.233 265 K CB -0.668 31.785 32.500 -0.079 0.000 1.226 265 K HN 0.295 nan 8.250 nan 0.000 0.442 266 T N -1.213 113.305 114.554 -0.060 0.000 3.033 266 T HA 0.208 4.558 4.350 -0.000 0.000 0.248 266 T C 0.620 175.368 174.700 0.080 0.000 1.040 266 T CA 0.583 62.661 62.100 -0.036 0.000 1.133 266 T CB 0.211 69.086 68.868 0.013 0.000 0.895 266 T HN 0.263 nan 8.240 nan 0.000 0.465 267 R N -0.539 120.000 120.500 0.065 0.000 2.893 267 R HA 0.581 4.921 4.340 -0.000 0.000 0.223 267 R C -0.112 176.227 176.300 0.065 0.000 1.433 267 R CA 0.114 56.255 56.100 0.069 0.000 1.063 267 R CB 0.356 30.683 30.300 0.045 0.000 1.758 267 R HN 0.226 nan 8.270 nan 0.000 0.524 268 G N 0.128 108.955 108.800 0.044 0.000 2.479 268 G HA2 0.050 4.010 3.960 -0.000 0.000 0.200 268 G HA3 0.050 4.010 3.960 -0.000 0.000 0.200 268 G C 0.588 175.513 174.900 0.041 0.000 0.183 268 G CA 0.896 46.016 45.100 0.034 0.000 1.081 268 G HN 1.423 nan 8.290 nan 0.000 0.495 269 A N -0.393 122.447 122.820 0.033 0.000 3.250 269 A HA 0.120 4.440 4.320 -0.000 0.000 0.256 269 A C 2.193 179.808 177.584 0.052 0.000 1.231 269 A CA 1.972 54.029 52.037 0.034 0.000 1.193 269 A CB -1.667 17.354 19.000 0.034 0.000 1.149 269 A HN 2.668 nan 8.150 nan 0.000 0.930 270 A N -0.347 122.514 122.820 0.070 0.000 1.864 270 A HA 0.543 4.863 4.320 -0.000 0.000 0.213 270 A C 2.537 180.049 177.584 -0.120 0.000 1.266 270 A CA 1.819 53.879 52.037 0.039 0.000 0.612 270 A CB -0.851 18.276 19.000 0.211 0.000 0.940 270 A HN 2.695 nan 8.150 nan 0.000 0.463 271 G N -1.669 107.081 108.800 -0.083 0.000 2.623 271 G HA2 0.135 4.095 3.960 -0.000 0.000 0.281 271 G HA3 0.135 4.095 3.960 -0.000 0.000 0.281 271 G C 0.588 175.407 174.900 -0.136 0.000 1.087 271 G CA 0.726 45.772 45.100 -0.091 0.000 1.244 271 G HN 1.481 nan 8.290 nan 0.000 0.544 272 T N -1.035 113.449 114.554 -0.118 0.000 11.472 272 T HA -0.372 3.978 4.350 -0.000 0.000 0.387 272 T C 1.867 176.454 174.700 -0.188 0.000 1.670 272 T CA 2.541 64.571 62.100 -0.116 0.000 2.698 272 T CB -1.042 67.775 68.868 -0.084 0.000 2.581 272 T HN 1.601 nan 8.240 nan 0.000 0.809 273 Q N 0.782 120.375 119.800 -0.344 0.000 2.472 273 Q HA -0.020 4.320 4.340 -0.000 0.000 0.208 273 Q C 0.299 175.923 176.000 -0.627 0.000 0.958 273 Q CA 1.115 56.642 55.803 -0.460 0.000 0.932 273 Q CB -0.063 28.404 28.738 -0.453 0.000 1.007 273 Q HN 0.802 nan 8.270 nan 0.000 0.508 274 Y N 0.751 120.854 120.300 -0.327 0.000 2.736 274 Y HA 0.363 4.913 4.550 -0.000 0.000 0.293 274 Y C -0.042 175.675 175.900 -0.305 0.000 1.062 274 Y CA -1.285 56.454 58.100 -0.603 0.000 1.247 274 Y CB 0.251 38.425 38.460 -0.477 0.000 1.200 274 Y HN -0.003 nan 8.280 nan 0.000 0.552 275 D N 0.205 120.577 120.400 -0.047 0.000 2.149 275 D HA 0.070 4.710 4.640 -0.000 0.000 0.291 275 D C -0.467 175.950 176.300 0.196 0.000 1.134 275 D CA 0.375 54.418 54.000 0.070 0.000 1.056 275 D CB 0.271 41.092 40.800 0.036 0.000 1.151 275 D HN -0.022 nan 8.370 nan 0.000 0.479 276 D N -0.403 120.090 120.400 0.155 0.000 2.454 276 D HA 0.313 4.953 4.640 -0.000 0.000 0.247 276 D C -0.925 175.456 176.300 0.135 0.000 1.129 276 D CA -0.312 53.792 54.000 0.173 0.000 0.877 276 D CB 0.919 41.790 40.800 0.117 0.000 1.082 276 D HN -0.013 nan 8.370 nan 0.000 0.537 277 S N 2.247 118.050 115.700 0.172 0.000 2.548 277 S HA 0.403 4.873 4.470 -0.000 0.000 0.277 277 S C 0.268 174.920 174.600 0.086 0.000 1.315 277 S CA -0.783 57.488 58.200 0.118 0.000 1.050 277 S CB 1.011 64.293 63.200 0.136 0.000 0.918 277 S HN 0.225 nan 8.310 nan 0.000 0.497 278 N N 2.062 120.798 118.700 0.061 0.000 2.765 278 N HA 0.267 5.007 4.740 -0.000 0.000 0.277 278 N C -0.423 175.110 175.510 0.038 0.000 1.750 278 N CA -0.258 52.819 53.050 0.046 0.000 0.827 278 N CB 0.387 38.898 38.487 0.040 0.000 1.200 278 N HN 0.577 nan 8.380 nan 0.000 0.494 279 M N -0.083 119.541 119.600 0.040 0.000 2.184 279 M HA 0.401 4.881 4.480 -0.000 0.000 0.296 279 M C 0.942 177.258 176.300 0.027 0.000 1.165 279 M CA 0.010 55.330 55.300 0.034 0.000 1.175 279 M CB 0.082 32.704 32.600 0.036 0.000 1.392 279 M HN 0.301 nan 8.290 nan 0.000 0.457 280 G N 0.852 109.667 108.800 0.024 0.000 2.761 280 G HA2 0.510 4.470 3.960 -0.000 0.000 0.296 280 G HA3 0.510 4.470 3.960 -0.000 0.000 0.296 280 G C -1.655 173.256 174.900 0.018 0.000 1.416 280 G CA -0.529 44.583 45.100 0.020 0.000 1.105 280 G HN 0.481 nan 8.290 nan 0.000 0.565 281 Q N 0.933 120.744 119.800 0.017 0.000 2.289 281 Q HA 0.435 4.775 4.340 -0.000 0.000 0.270 281 Q C -1.257 174.753 176.000 0.015 0.000 1.038 281 Q CA -0.801 55.012 55.803 0.017 0.000 0.812 281 Q CB 2.574 31.323 28.738 0.018 0.000 1.300 281 Q HN 0.567 nan 8.270 nan 0.000 0.427 282 N N 1.758 120.467 118.700 0.014 0.000 2.399 282 N HA 0.422 5.162 4.740 -0.000 0.000 0.284 282 N C -1.051 174.468 175.510 0.015 0.000 1.025 282 N CA -0.458 52.600 53.050 0.014 0.000 0.885 282 N CB 1.718 40.213 38.487 0.013 0.000 1.339 282 N HN 0.213 nan 8.380 nan 0.000 0.487 283 K N 0.197 120.606 120.400 0.015 0.000 2.259 283 K HA 0.745 5.065 4.320 -0.000 0.000 0.249 283 K C -0.790 175.821 176.600 0.018 0.000 0.942 283 K CA -0.974 55.323 56.287 0.017 0.000 0.816 283 K CB 2.271 34.782 32.500 0.018 0.000 1.155 283 K HN 0.297 nan 8.250 nan 0.000 0.428 284 V N -1.200 118.725 119.914 0.019 0.000 2.532 284 V HA 0.809 4.929 4.120 -0.000 0.000 0.294 284 V C -0.366 175.743 176.094 0.025 0.000 1.036 284 V CA -0.686 61.627 62.300 0.022 0.000 0.876 284 V CB 1.318 33.153 31.823 0.021 0.000 1.012 284 V HN 0.794 nan 8.190 nan 0.000 0.432 285 G N 3.823 112.640 108.800 0.029 0.000 2.498 285 G HA2 0.763 4.723 3.960 -0.000 0.000 0.312 285 G HA3 0.763 4.723 3.960 -0.000 0.000 0.312 285 G C -1.404 173.522 174.900 0.045 0.000 1.230 285 G CA -1.047 44.074 45.100 0.034 0.000 0.968 285 G HN 0.786 nan 8.290 nan 0.000 0.481 286 L N 1.519 122.774 121.223 0.054 0.000 2.342 286 L HA 0.396 4.736 4.340 -0.000 0.000 0.276 286 L C 0.284 177.211 176.870 0.094 0.000 0.997 286 L CA -0.603 54.282 54.840 0.075 0.000 0.838 286 L CB 1.825 43.933 42.059 0.080 0.000 1.224 286 L HN 0.468 nan 8.230 nan 0.000 0.416 287 S N 2.594 118.354 115.700 0.099 0.000 2.586 287 S HA 0.601 5.071 4.470 -0.000 0.000 0.274 287 S C -0.951 173.762 174.600 0.188 0.000 1.281 287 S CA -0.198 58.073 58.200 0.118 0.000 1.035 287 S CB 0.783 64.028 63.200 0.076 0.000 0.962 287 S HN 0.345 nan 8.310 nan 0.000 0.512 288 F N 2.361 122.331 119.950 0.033 0.000 2.573 288 F HA 0.578 5.105 4.527 -0.000 0.000 0.316 288 F C -0.511 175.311 175.800 0.036 0.000 1.148 288 F CA -0.351 57.670 58.000 0.036 0.000 0.940 288 F CB 1.762 40.776 39.000 0.023 0.000 1.214 288 F HN 0.435 nan 8.300 nan 0.000 0.448 289 S N 6.933 122.418 115.700 -0.359 0.000 2.672 289 S HA 0.636 5.106 4.470 -0.000 0.000 0.291 289 S C -1.958 172.490 174.600 -0.253 0.000 1.145 289 S CA -0.627 57.485 58.200 -0.147 0.000 1.013 289 S CB 0.983 64.138 63.200 -0.074 0.000 1.017 289 S HN 0.733 nan 8.310 nan 0.000 0.487 290 L N 6.998 128.209 121.223 -0.020 0.000 2.372 290 L HA 0.477 4.816 4.340 -0.000 0.000 0.273 290 L C -1.764 175.148 176.870 0.070 0.000 0.989 290 L CA -1.936 52.923 54.840 0.031 0.000 0.841 290 L CB 1.743 43.912 42.059 0.184 0.000 1.225 290 L HN 0.521 nan 8.230 nan 0.000 0.414 291 P HA -0.190 nan 4.420 nan 0.000 0.216 291 P C 1.217 178.583 177.300 0.110 0.000 1.167 291 P CA 1.720 64.864 63.100 0.073 0.000 0.914 291 P CB 0.365 32.107 31.700 0.071 0.000 0.793 292 I N -6.714 113.935 120.570 0.132 0.000 4.473 292 I HA -0.364 3.806 4.170 -0.000 0.000 0.062 292 I C 0.476 176.740 176.117 0.245 0.000 0.603 292 I CA 2.023 63.416 61.300 0.155 0.000 0.966 292 I CB -0.926 37.151 38.000 0.129 0.000 0.870 292 I HN 0.071 nan 8.210 nan 0.000 0.168 293 Y N 1.282 121.619 120.300 0.062 0.000 2.275 293 Y HA 0.400 4.950 4.550 -0.000 0.000 0.319 293 Y C -0.430 175.495 175.900 0.042 0.000 1.204 293 Y CA -0.719 57.415 58.100 0.056 0.000 1.136 293 Y CB 0.959 39.444 38.460 0.042 0.000 1.228 293 Y HN 0.127 nan 8.280 nan 0.000 0.413 294 Q N 4.473 124.057 119.800 -0.360 0.000 2.165 294 Q HA 0.392 4.732 4.340 -0.000 0.000 0.245 294 Q C 0.984 176.736 176.000 -0.414 0.000 0.841 294 Q CA 0.101 55.739 55.803 -0.274 0.000 1.078 294 Q CB 1.501 30.155 28.738 -0.141 0.000 1.169 294 Q HN 1.082 nan 8.270 nan 0.000 0.475 295 G N 0.386 108.650 108.800 -0.894 0.000 2.141 295 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.231 295 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.231 295 G C 0.717 175.376 174.900 -0.402 0.000 0.984 295 G CA -0.088 44.681 45.100 -0.552 0.000 0.660 295 G HN 0.900 nan 8.290 nan 0.000 0.525 296 G N -0.783 107.713 108.800 -0.507 0.000 2.143 296 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.248 296 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.248 296 G C 1.215 176.037 174.900 -0.130 0.000 0.991 296 G CA 1.356 46.342 45.100 -0.190 0.000 0.689 296 G HN 1.085 nan 8.290 nan 0.000 0.522 297 M N -0.209 119.291 119.600 -0.166 0.000 2.286 297 M HA -0.056 4.424 4.480 -0.000 0.000 0.262 297 M C 1.678 177.908 176.300 -0.117 0.000 1.071 297 M CA 2.170 57.399 55.300 -0.119 0.000 1.091 297 M CB -0.415 32.111 32.600 -0.123 0.000 1.260 297 M HN 0.145 nan 8.290 nan 0.000 0.442 298 V N 1.728 121.544 119.914 -0.163 0.000 3.032 298 V HA -0.079 4.041 4.120 -0.000 0.000 0.307 298 V C 0.870 176.876 176.094 -0.146 0.000 1.097 298 V CA 0.623 62.783 62.300 -0.234 0.000 1.191 298 V CB 0.930 32.471 31.823 -0.469 0.000 0.964 298 V HN 0.808 nan 8.190 nan 0.000 0.494 299 N N 0.209 118.846 118.700 -0.105 0.000 1.621 299 N HA -0.207 4.533 4.740 -0.000 0.000 0.211 299 N C 1.576 177.082 175.510 -0.008 0.000 1.089 299 N CA 1.726 54.782 53.050 0.009 0.000 4.317 299 N CB -1.507 37.015 38.487 0.058 0.000 0.684 299 N HN 0.736 nan 8.380 nan 0.000 0.271 300 S N 0.348 116.038 115.700 -0.016 0.000 2.406 300 S HA 0.040 4.510 4.470 -0.000 0.000 0.228 300 S C 1.596 176.192 174.600 -0.007 0.000 1.020 300 S CA 1.843 60.043 58.200 -0.001 0.000 0.965 300 S CB -0.083 63.117 63.200 0.000 0.000 0.798 300 S HN 0.452 nan 8.310 nan 0.000 0.488 301 Q N -0.075 119.704 119.800 -0.035 0.000 2.226 301 Q HA -0.017 4.323 4.340 -0.000 0.000 0.204 301 Q C 2.058 178.039 176.000 -0.032 0.000 0.975 301 Q CA 1.400 57.182 55.803 -0.036 0.000 0.866 301 Q CB -0.042 28.658 28.738 -0.063 0.000 0.915 301 Q HN 0.448 nan 8.270 nan 0.000 0.440 302 V N 0.059 119.947 119.914 -0.044 0.000 2.535 302 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 302 V C 1.902 177.966 176.094 -0.050 0.000 1.045 302 V CA 1.437 63.712 62.300 -0.043 0.000 1.058 302 V CB -0.110 31.693 31.823 -0.033 0.000 0.689 302 V HN 0.202 nan 8.190 nan 0.000 0.461 303 K N -0.465 119.905 120.400 -0.051 0.000 2.057 303 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 303 K C 2.281 178.847 176.600 -0.056 0.000 1.050 303 K CA 1.463 57.686 56.287 -0.107 0.000 0.935 303 K CB -0.150 32.316 32.500 -0.057 0.000 0.715 303 K HN 0.436 nan 8.250 nan 0.000 0.439 304 Q N -0.439 119.393 119.800 0.053 0.000 2.077 304 Q HA -0.188 4.152 4.340 -0.000 0.000 0.206 304 Q C 1.990 178.049 176.000 0.099 0.000 0.989 304 Q CA 1.862 57.736 55.803 0.119 0.000 0.853 304 Q CB -0.166 28.618 28.738 0.076 0.000 0.907 304 Q HN 0.382 nan 8.270 nan 0.000 0.418 305 A N 0.018 122.864 122.820 0.044 0.000 2.119 305 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 305 A C 1.792 179.416 177.584 0.066 0.000 1.153 305 A CA 1.010 53.079 52.037 0.053 0.000 0.692 305 A CB -0.204 18.809 19.000 0.021 0.000 0.799 305 A HN 0.343 nan 8.150 nan 0.000 0.458 306 Q N -1.635 118.164 119.800 -0.003 0.000 2.083 306 Q HA -0.107 4.233 4.340 -0.000 0.000 0.198 306 Q C 1.649 177.691 176.000 0.071 0.000 0.969 306 Q CA 1.657 57.445 55.803 -0.024 0.000 0.838 306 Q CB -0.236 28.392 28.738 -0.183 0.000 0.900 306 Q HN 0.868 nan 8.270 nan 0.000 0.436 307 Y N 0.077 120.432 120.300 0.091 0.000 2.200 307 Y HA -0.180 4.370 4.550 -0.000 0.000 0.290 307 Y C 2.304 178.243 175.900 0.066 0.000 1.137 307 Y CA 0.552 58.694 58.100 0.070 0.000 1.163 307 Y CB 0.005 38.490 38.460 0.042 0.000 0.988 307 Y HN 0.233 nan 8.280 nan 0.000 0.518 308 N N 0.154 118.991 118.700 0.228 0.000 2.348 308 N HA -0.216 4.524 4.740 -0.000 0.000 0.185 308 N C 1.660 177.259 175.510 0.149 0.000 1.019 308 N CA 0.989 54.127 53.050 0.147 0.000 0.880 308 N CB -0.221 38.336 38.487 0.117 0.000 0.965 308 N HN 0.304 nan 8.380 nan 0.000 0.437 309 F N 1.535 121.514 119.950 0.048 0.000 2.187 309 F HA -0.095 4.432 4.527 -0.000 0.000 0.295 309 F C 2.344 178.167 175.800 0.039 0.000 1.091 309 F CA 1.118 59.135 58.000 0.029 0.000 1.308 309 F CB -0.662 38.343 39.000 0.008 0.000 1.030 309 F HN -0.100 nan 8.300 nan 0.000 0.487 310 V N -0.137 119.781 119.914 0.007 0.000 2.515 310 V HA -0.011 4.109 4.120 -0.000 0.000 0.250 310 V C 2.359 178.388 176.094 -0.109 0.000 1.058 310 V CA 2.000 64.245 62.300 -0.092 0.000 1.064 310 V CB -1.745 30.125 31.823 0.078 0.000 0.675 310 V HN 0.365 nan 8.190 nan 0.000 0.461 311 G N 0.443 109.225 108.800 -0.031 0.000 2.514 311 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 311 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 311 G C 1.739 176.588 174.900 -0.085 0.000 1.198 311 G CA 1.494 46.572 45.100 -0.036 0.000 0.780 311 G HN 1.033 nan 8.290 nan 0.000 0.565 312 A N -0.016 122.731 122.820 -0.122 0.000 2.119 312 A HA 0.192 4.512 4.320 -0.000 0.000 0.217 312 A C 2.601 180.058 177.584 -0.212 0.000 1.153 312 A CA 1.922 53.879 52.037 -0.134 0.000 0.692 312 A CB -0.292 18.652 19.000 -0.093 0.000 0.799 312 A HN 0.307 nan 8.150 nan 0.000 0.458 313 S N -0.335 115.160 115.700 -0.341 0.000 2.406 313 S HA -0.078 4.392 4.470 -0.000 0.000 0.228 313 S C 1.833 176.337 174.600 -0.160 0.000 1.020 313 S CA 1.041 59.048 58.200 -0.321 0.000 0.965 313 S CB -0.140 62.800 63.200 -0.432 0.000 0.798 313 S HN 0.621 nan 8.310 nan 0.000 0.488 314 E N 1.370 121.498 120.200 -0.120 0.000 2.112 314 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 314 E C 1.997 178.571 176.600 -0.044 0.000 0.979 314 E CA 0.631 56.993 56.400 -0.063 0.000 0.814 314 E CB -0.319 29.354 29.700 -0.044 0.000 0.762 314 E HN 0.584 nan 8.360 nan 0.000 0.460 315 Q N 0.501 120.272 119.800 -0.049 0.000 2.291 315 Q HA -0.046 4.294 4.340 -0.000 0.000 0.206 315 Q C 2.224 178.213 176.000 -0.019 0.000 0.976 315 Q CA 0.487 56.273 55.803 -0.028 0.000 0.875 315 Q CB 0.029 28.751 28.738 -0.027 0.000 0.927 315 Q HN 0.219 nan 8.270 nan 0.000 0.450 316 L N 0.573 121.774 121.223 -0.036 0.000 2.095 316 L HA -0.138 4.202 4.340 -0.000 0.000 0.204 316 L C 2.083 178.960 176.870 0.013 0.000 1.080 316 L CA 1.483 56.311 54.840 -0.020 0.000 0.759 316 L CB -0.122 41.904 42.059 -0.055 0.000 0.914 316 L HN 0.185 nan 8.230 nan 0.000 0.439 317 E N 0.008 120.208 120.200 -0.001 0.000 2.204 317 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 317 E C 2.174 178.818 176.600 0.073 0.000 0.989 317 E CA 1.268 57.691 56.400 0.038 0.000 0.824 317 E CB -0.005 29.698 29.700 0.005 0.000 0.756 317 E HN 0.329 nan 8.360 nan 0.000 0.477 318 S N -0.562 115.158 115.700 0.035 0.000 2.371 318 S HA -0.011 4.459 4.470 -0.000 0.000 0.224 318 S C 1.842 176.459 174.600 0.029 0.000 1.029 318 S CA 0.942 59.157 58.200 0.026 0.000 0.978 318 S CB -0.200 63.004 63.200 0.008 0.000 0.833 318 S HN 0.472 nan 8.310 nan 0.000 0.466 319 A N 0.265 123.108 122.820 0.038 0.000 2.067 319 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 319 A C 1.705 179.318 177.584 0.048 0.000 1.156 319 A CA 1.579 53.635 52.037 0.033 0.000 0.683 319 A CB -0.679 18.339 19.000 0.029 0.000 0.808 319 A HN 0.678 nan 8.150 nan 0.000 0.455 320 H N -0.201 118.861 119.070 -0.012 0.000 2.307 320 H HA 0.044 4.600 4.556 -0.000 0.000 0.303 320 H C 2.192 177.514 175.328 -0.010 0.000 1.073 320 H CA 1.701 57.742 56.048 -0.012 0.000 1.338 320 H CB -0.122 29.631 29.762 -0.014 0.000 1.389 320 H HN 0.314 nan 8.280 nan 0.000 0.503 321 R N -0.170 120.254 120.500 -0.127 0.000 2.091 321 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 321 R C 2.614 178.840 176.300 -0.123 0.000 1.136 321 R CA 1.417 57.429 56.100 -0.147 0.000 0.959 321 R CB -0.502 29.784 30.300 -0.023 0.000 0.856 321 R HN 0.395 nan 8.270 nan 0.000 0.437 322 S N 0.614 116.272 115.700 -0.071 0.000 2.428 322 S HA -0.073 4.397 4.470 -0.000 0.000 0.230 322 S C 1.991 176.555 174.600 -0.060 0.000 1.014 322 S CA 1.153 59.324 58.200 -0.048 0.000 0.957 322 S CB -0.019 63.168 63.200 -0.021 0.000 0.784 322 S HN 0.303 nan 8.310 nan 0.000 0.499 323 V N -0.488 119.374 119.914 -0.087 0.000 3.174 323 V HA 0.217 4.337 4.120 -0.000 0.000 0.254 323 V C 2.008 178.032 176.094 -0.118 0.000 1.120 323 V CA 1.002 63.255 62.300 -0.079 0.000 1.114 323 V CB -0.392 31.404 31.823 -0.045 0.000 0.756 323 V HN 0.302 nan 8.190 nan 0.000 0.467 324 V N 0.872 120.659 119.914 -0.212 0.000 2.392 324 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 324 V C 2.840 178.870 176.094 -0.105 0.000 1.059 324 V CA 2.707 64.888 62.300 -0.198 0.000 1.051 324 V CB -0.623 31.015 31.823 -0.308 0.000 0.658 324 V HN 0.694 nan 8.190 nan 0.000 0.455 325 Q N -0.235 119.514 119.800 -0.084 0.000 2.049 325 Q HA -0.171 4.169 4.340 -0.000 0.000 0.198 325 Q C 2.255 178.242 176.000 -0.022 0.000 0.971 325 Q CA 2.380 58.158 55.803 -0.042 0.000 0.833 325 Q CB -0.382 28.336 28.738 -0.034 0.000 0.896 325 Q HN 0.618 nan 8.270 nan 0.000 0.434 326 T N 1.012 115.551 114.554 -0.025 0.000 2.821 326 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 326 T C 1.812 176.513 174.700 0.002 0.000 1.046 326 T CA 1.359 63.454 62.100 -0.009 0.000 1.139 326 T CB -0.280 68.582 68.868 -0.011 0.000 0.871 326 T HN 0.283 nan 8.240 nan 0.000 0.454 327 V N 1.078 120.986 119.914 -0.011 0.000 2.346 327 V HA -0.005 4.115 4.120 -0.000 0.000 0.244 327 V C 2.384 178.500 176.094 0.036 0.000 1.037 327 V CA 1.384 63.687 62.300 0.005 0.000 1.029 327 V CB -0.392 31.418 31.823 -0.021 0.000 0.663 327 V HN 0.285 nan 8.190 nan 0.000 0.454 328 R N 0.865 121.371 120.500 0.009 0.000 2.092 328 R HA -0.096 4.244 4.340 -0.000 0.000 0.231 328 R C 2.595 178.961 176.300 0.111 0.000 1.119 328 R CA 1.743 57.866 56.100 0.038 0.000 0.970 328 R CB -0.421 29.875 30.300 -0.007 0.000 0.864 328 R HN 0.781 nan 8.270 nan 0.000 0.440 329 S N -0.758 114.983 115.700 0.068 0.000 2.461 329 S HA 0.027 4.497 4.470 -0.000 0.000 0.228 329 S C 1.843 176.486 174.600 0.072 0.000 1.005 329 S CA 0.819 59.059 58.200 0.067 0.000 0.942 329 S CB 0.321 63.543 63.200 0.037 0.000 0.776 329 S HN 0.058 nan 8.310 nan 0.000 0.514 330 S N 1.139 116.886 115.700 0.078 0.000 2.377 330 S HA 0.140 4.610 4.470 -0.000 0.000 0.223 330 S C 1.245 175.909 174.600 0.107 0.000 1.030 330 S CA 0.780 59.020 58.200 0.068 0.000 0.970 330 S CB -0.587 62.642 63.200 0.047 0.000 0.830 330 S HN 0.591 nan 8.310 nan 0.000 0.473 331 F N 3.055 123.000 119.950 -0.010 0.000 2.126 331 F HA -0.149 4.378 4.527 -0.000 0.000 0.299 331 F C 1.777 177.583 175.800 0.009 0.000 1.096 331 F CA 1.467 59.466 58.000 -0.002 0.000 1.255 331 F CB -0.645 38.353 39.000 -0.003 0.000 0.997 331 F HN 0.225 nan 8.300 nan 0.000 0.479 332 N N -0.315 118.464 118.700 0.131 0.000 2.106 332 N HA -0.189 4.551 4.740 -0.000 0.000 0.188 332 N C 1.345 176.838 175.510 -0.029 0.000 1.029 332 N CA 1.086 54.150 53.050 0.024 0.000 0.848 332 N CB -0.210 38.332 38.487 0.092 0.000 1.007 332 N HN 0.231 nan 8.380 nan 0.000 0.423 333 N N 1.212 119.914 118.700 0.004 0.000 2.166 333 N HA -0.077 4.663 4.740 -0.000 0.000 0.186 333 N C 1.655 177.161 175.510 -0.007 0.000 1.019 333 N CA 0.694 53.747 53.050 0.004 0.000 0.856 333 N CB -0.233 38.264 38.487 0.018 0.000 0.993 333 N HN 0.273 nan 8.380 nan 0.000 0.426 334 I N 1.057 121.602 120.570 -0.043 0.000 2.179 334 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 334 I C 1.786 177.892 176.117 -0.018 0.000 1.088 334 I CA 0.915 62.196 61.300 -0.031 0.000 1.357 334 I CB -0.155 37.791 38.000 -0.090 0.000 1.051 334 I HN 0.109 nan 8.210 nan 0.000 0.409 335 N N 0.842 119.443 118.700 -0.165 0.000 2.120 335 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 335 N C 1.839 177.309 175.510 -0.067 0.000 1.024 335 N CA 1.646 54.595 53.050 -0.168 0.000 0.852 335 N CB -0.358 37.938 38.487 -0.318 0.000 1.003 335 N HN 0.369 nan 8.380 nan 0.000 0.424 336 A N 0.117 122.910 122.820 -0.044 0.000 1.969 336 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 336 A C 2.513 180.115 177.584 0.030 0.000 1.169 336 A CA 1.339 53.372 52.037 -0.007 0.000 0.635 336 A CB -0.554 18.447 19.000 0.002 0.000 0.810 336 A HN 0.217 nan 8.150 nan 0.000 0.445 337 S N -0.388 115.350 115.700 0.063 0.000 2.383 337 S HA -0.072 4.398 4.470 -0.000 0.000 0.227 337 S C 1.789 176.443 174.600 0.090 0.000 1.026 337 S CA 1.253 59.521 58.200 0.113 0.000 0.981 337 S CB -0.423 62.894 63.200 0.196 0.000 0.818 337 S HN 0.545 nan 8.310 nan 0.000 0.472 338 I N 0.745 121.355 120.570 0.067 0.000 2.179 338 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 338 I C 2.495 178.599 176.117 -0.022 0.000 1.088 338 I CA 0.911 62.200 61.300 -0.019 0.000 1.357 338 I CB -0.361 37.622 38.000 -0.027 0.000 1.051 338 I HN 0.196 nan 8.210 nan 0.000 0.409 339 S N -0.068 115.622 115.700 -0.016 0.000 2.370 339 S HA -0.210 4.260 4.470 -0.000 0.000 0.226 339 S C 2.233 176.822 174.600 -0.018 0.000 1.033 339 S CA 1.790 59.975 58.200 -0.025 0.000 1.011 339 S CB -0.200 62.983 63.200 -0.028 0.000 0.852 339 S HN 0.364 nan 8.310 nan 0.000 0.457 340 S N 0.829 116.544 115.700 0.025 0.000 2.368 340 S HA 0.031 4.501 4.470 -0.000 0.000 0.224 340 S C 1.762 176.452 174.600 0.150 0.000 1.029 340 S CA 0.862 59.119 58.200 0.095 0.000 0.988 340 S CB -0.304 63.005 63.200 0.183 0.000 0.838 340 S HN 0.396 nan 8.310 nan 0.000 0.462 341 I N 1.945 122.564 120.570 0.082 0.000 2.163 341 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 341 I C 2.016 178.154 176.117 0.035 0.000 1.085 341 I CA 1.322 62.653 61.300 0.052 0.000 1.347 341 I CB -0.507 37.491 38.000 -0.003 0.000 1.044 341 I HN 0.363 nan 8.210 nan 0.000 0.408 342 N N 0.550 119.249 118.700 -0.002 0.000 2.069 342 N HA -0.201 4.539 4.740 -0.000 0.000 0.191 342 N C 1.899 177.382 175.510 -0.044 0.000 1.031 342 N CA 1.279 54.314 53.050 -0.025 0.000 0.852 342 N CB -0.251 38.212 38.487 -0.039 0.000 1.018 342 N HN 0.360 nan 8.380 nan 0.000 0.423 343 A N 0.140 122.909 122.820 -0.085 0.000 1.968 343 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 343 A C 1.600 179.039 177.584 -0.242 0.000 1.169 343 A CA 0.978 52.902 52.037 -0.189 0.000 0.638 343 A CB -0.636 18.197 19.000 -0.279 0.000 0.812 343 A HN 0.371 nan 8.150 nan 0.000 0.446 344 Y N -0.195 120.075 120.300 -0.050 0.000 2.420 344 Y HA -0.030 4.520 4.550 -0.000 0.000 0.292 344 Y C 2.406 178.263 175.900 -0.071 0.000 1.119 344 Y CA 1.085 59.149 58.100 -0.061 0.000 1.229 344 Y CB 0.064 38.486 38.460 -0.064 0.000 1.026 344 Y HN 0.185 nan 8.280 nan 0.000 0.554 345 K N 0.099 120.542 120.400 0.072 0.000 2.001 345 K HA -0.312 4.008 4.320 -0.000 0.000 0.214 345 K C 2.119 178.713 176.600 -0.010 0.000 1.050 345 K CA 2.020 58.315 56.287 0.013 0.000 0.934 345 K CB -0.262 32.237 32.500 -0.002 0.000 0.718 345 K HN 0.158 nan 8.250 nan 0.000 0.443 346 Q N 0.878 120.662 119.800 -0.026 0.000 2.096 346 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 346 Q C 1.783 177.758 176.000 -0.042 0.000 0.982 346 Q CA 2.050 57.829 55.803 -0.040 0.000 0.850 346 Q CB -0.402 28.305 28.738 -0.053 0.000 0.901 346 Q HN 0.320 nan 8.270 nan 0.000 0.422 347 A N -0.418 122.375 122.820 -0.044 0.000 1.908 347 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 347 A C 2.314 179.887 177.584 -0.019 0.000 1.181 347 A CA 1.865 53.885 52.037 -0.029 0.000 0.627 347 A CB -1.014 17.980 19.000 -0.010 0.000 0.818 347 A HN 0.283 nan 8.150 nan 0.000 0.445 348 V N -0.532 119.371 119.914 -0.018 0.000 2.287 348 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 348 V C 2.564 178.620 176.094 -0.065 0.000 1.053 348 V CA 2.040 64.302 62.300 -0.064 0.000 1.027 348 V CB -0.917 30.854 31.823 -0.087 0.000 0.646 348 V HN 0.380 nan 8.190 nan 0.000 0.447 349 V N 0.996 120.882 119.914 -0.048 0.000 2.233 349 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 349 V C 2.790 178.860 176.094 -0.040 0.000 1.050 349 V CA 2.653 64.927 62.300 -0.042 0.000 1.010 349 V CB -0.874 30.929 31.823 -0.033 0.000 0.637 349 V HN 0.795 nan 8.190 nan 0.000 0.444 350 S N 0.764 116.441 115.700 -0.037 0.000 2.382 350 S HA -0.147 4.323 4.470 -0.000 0.000 0.228 350 S C 2.053 176.632 174.600 -0.034 0.000 1.027 350 S CA 1.424 59.604 58.200 -0.033 0.000 0.991 350 S CB -0.549 62.631 63.200 -0.033 0.000 0.823 350 S HN 0.597 nan 8.310 nan 0.000 0.469 351 A N 1.337 124.131 122.820 -0.042 0.000 1.930 351 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 351 A C 2.300 179.851 177.584 -0.055 0.000 1.175 351 A CA 1.750 53.759 52.037 -0.047 0.000 0.627 351 A CB -0.905 18.062 19.000 -0.055 0.000 0.815 351 A HN 0.575 nan 8.150 nan 0.000 0.443 352 Q N 0.420 120.180 119.800 -0.066 0.000 2.119 352 Q HA -0.105 4.235 4.340 -0.000 0.000 0.201 352 Q C 2.195 178.175 176.000 -0.034 0.000 0.972 352 Q CA 2.263 58.029 55.803 -0.062 0.000 0.847 352 Q CB -0.536 28.158 28.738 -0.072 0.000 0.903 352 Q HN 0.601 nan 8.270 nan 0.000 0.433 353 S N -1.248 114.435 115.700 -0.029 0.000 2.387 353 S HA -0.089 4.381 4.470 -0.000 0.000 0.226 353 S C 2.082 176.675 174.600 -0.012 0.000 1.026 353 S CA 1.373 59.562 58.200 -0.018 0.000 0.972 353 S CB -0.585 62.604 63.200 -0.018 0.000 0.814 353 S HN 0.436 nan 8.310 nan 0.000 0.477 354 S N 0.649 116.340 115.700 -0.016 0.000 2.368 354 S HA -0.048 4.422 4.470 -0.000 0.000 0.225 354 S C 1.776 176.373 174.600 -0.005 0.000 1.030 354 S CA 1.296 59.490 58.200 -0.010 0.000 0.999 354 S CB -0.689 62.503 63.200 -0.014 0.000 0.844 354 S HN 0.541 nan 8.310 nan 0.000 0.459 355 L N 2.258 123.475 121.223 -0.009 0.000 1.994 355 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 355 L C 1.779 178.655 176.870 0.010 0.000 1.071 355 L CA 2.241 57.081 54.840 -0.001 0.000 0.745 355 L CB -1.082 40.974 42.059 -0.005 0.000 0.892 355 L HN 0.180 nan 8.230 nan 0.000 0.431 356 D N 0.034 120.438 120.400 0.006 0.000 2.158 356 D HA -0.227 4.413 4.640 -0.000 0.000 0.197 356 D C 2.125 178.437 176.300 0.019 0.000 0.995 356 D CA 1.668 55.676 54.000 0.014 0.000 0.846 356 D CB -0.194 40.610 40.800 0.006 0.000 0.941 356 D HN 0.558 nan 8.370 nan 0.000 0.456 357 A N 0.743 123.572 122.820 0.014 0.000 1.929 357 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 357 A C 2.204 179.805 177.584 0.029 0.000 1.176 357 A CA 1.029 53.077 52.037 0.017 0.000 0.628 357 A CB -0.315 18.691 19.000 0.009 0.000 0.816 357 A HN 0.090 nan 8.150 nan 0.000 0.444 358 M N -0.057 119.558 119.600 0.026 0.000 2.159 358 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 358 M C 1.805 178.149 176.300 0.072 0.000 1.063 358 M CA 1.292 56.613 55.300 0.035 0.000 1.110 358 M CB -1.370 31.235 32.600 0.009 0.000 1.374 358 M HN 0.506 nan 8.290 nan 0.000 0.411 359 E N 0.769 121.012 120.200 0.072 0.000 2.047 359 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 359 E C 2.211 178.883 176.600 0.120 0.000 0.987 359 E CA 1.382 57.852 56.400 0.117 0.000 0.799 359 E CB -0.183 29.567 29.700 0.083 0.000 0.752 359 E HN 0.513 nan 8.360 nan 0.000 0.449 360 A N 1.567 124.429 122.820 0.070 0.000 1.877 360 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 360 A C 2.496 180.113 177.584 0.055 0.000 1.186 360 A CA 1.886 53.952 52.037 0.047 0.000 0.620 360 A CB -1.225 17.792 19.000 0.029 0.000 0.822 360 A HN 0.352 nan 8.150 nan 0.000 0.443 361 G N -1.870 106.972 108.800 0.070 0.000 2.418 361 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 361 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 361 G C 1.570 176.547 174.900 0.129 0.000 1.158 361 G CA 1.156 46.302 45.100 0.077 0.000 0.771 361 G HN 0.651 nan 8.290 nan 0.000 0.545 362 Y N 2.185 122.487 120.300 0.003 0.000 2.193 362 Y HA -0.274 4.276 4.550 -0.000 0.000 0.285 362 Y C 3.106 179.008 175.900 0.004 0.000 1.166 362 Y CA 1.775 59.878 58.100 0.004 0.000 1.181 362 Y CB 0.100 38.563 38.460 0.004 0.000 0.976 362 Y HN 0.369 nan 8.280 nan 0.000 0.520 363 S N -0.547 115.098 115.700 -0.091 0.000 2.461 363 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 363 S C 1.436 175.970 174.600 -0.111 0.000 1.005 363 S CA 0.717 58.803 58.200 -0.191 0.000 0.942 363 S CB -0.491 62.641 63.200 -0.114 0.000 0.776 363 S HN 0.411 nan 8.310 nan 0.000 0.514 364 V N -2.183 117.704 119.914 -0.045 0.000 3.542 364 V HA 0.697 4.817 4.120 -0.000 0.000 0.296 364 V C 1.353 177.442 176.094 -0.009 0.000 1.364 364 V CA 0.183 62.468 62.300 -0.026 0.000 1.118 364 V CB -0.839 30.978 31.823 -0.010 0.000 0.972 364 V HN 0.731 nan 8.190 nan 0.000 0.430 365 G N 1.285 110.086 108.800 0.003 0.000 2.179 365 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 365 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 365 G C 0.839 175.770 174.900 0.051 0.000 0.977 365 G CA 1.099 46.218 45.100 0.032 0.000 0.641 365 G HN 1.276 nan 8.290 nan 0.000 0.533 366 T N -2.841 111.744 114.554 0.053 0.000 3.086 366 T HA 0.562 4.912 4.350 -0.000 0.000 0.250 366 T C 0.938 175.671 174.700 0.055 0.000 1.074 366 T CA 0.418 62.545 62.100 0.046 0.000 0.988 366 T CB 0.572 69.459 68.868 0.031 0.000 0.988 366 T HN 0.358 nan 8.240 nan 0.000 0.530 367 R N 1.303 121.855 120.500 0.087 0.000 2.799 367 R HA 0.593 4.933 4.340 -0.000 0.000 0.270 367 R C -0.226 176.147 176.300 0.122 0.000 1.010 367 R CA -0.417 55.728 56.100 0.076 0.000 0.916 367 R CB 1.308 31.642 30.300 0.057 0.000 1.228 367 R HN 0.425 nan 8.270 nan 0.000 0.469 368 T N -2.637 111.931 114.554 0.024 0.000 2.922 368 T HA 0.284 4.634 4.350 -0.000 0.000 0.281 368 T C 1.280 175.741 174.700 -0.397 0.000 1.005 368 T CA -0.661 61.411 62.100 -0.048 0.000 0.982 368 T CB 0.836 69.687 68.868 -0.028 0.000 1.158 368 T HN 0.327 nan 8.240 nan 0.000 0.566 369 I N 0.944 121.123 120.570 -0.652 0.000 2.423 369 I HA -0.083 4.087 4.170 -0.000 0.000 0.254 369 I C 2.195 178.126 176.117 -0.310 0.000 1.151 369 I CA 1.050 61.929 61.300 -0.703 0.000 1.421 369 I CB -0.645 37.052 38.000 -0.505 0.000 1.079 369 I HN 0.625 nan 8.210 nan 0.000 0.431 370 V N 0.526 120.327 119.914 -0.188 0.000 2.427 370 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 370 V C 2.170 178.212 176.094 -0.087 0.000 1.051 370 V CA 2.033 64.271 62.300 -0.103 0.000 1.048 370 V CB -0.879 30.908 31.823 -0.061 0.000 0.666 370 V HN 0.396 nan 8.190 nan 0.000 0.456 371 D N 0.196 120.539 120.400 -0.095 0.000 2.117 371 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 371 D C 2.227 178.489 176.300 -0.064 0.000 0.987 371 D CA 1.366 55.329 54.000 -0.062 0.000 0.829 371 D CB -0.123 40.651 40.800 -0.042 0.000 0.961 371 D HN 0.351 nan 8.370 nan 0.000 0.460 372 V N 1.503 121.349 119.914 -0.112 0.000 2.295 372 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 372 V C 2.714 178.779 176.094 -0.049 0.000 1.049 372 V CA 1.198 63.446 62.300 -0.087 0.000 1.024 372 V CB -0.508 31.222 31.823 -0.154 0.000 0.648 372 V HN 0.149 nan 8.190 nan 0.000 0.447 373 L N -0.262 120.923 121.223 -0.064 0.000 2.017 373 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 373 L C 2.387 179.260 176.870 0.005 0.000 1.073 373 L CA 1.737 56.564 54.840 -0.021 0.000 0.745 373 L CB -0.850 41.191 42.059 -0.030 0.000 0.894 373 L HN 0.306 nan 8.230 nan 0.000 0.432 374 D N 0.162 120.557 120.400 -0.009 0.000 2.149 374 D HA -0.182 4.458 4.640 -0.000 0.000 0.198 374 D C 2.183 178.490 176.300 0.013 0.000 0.990 374 D CA 1.590 55.592 54.000 0.002 0.000 0.839 374 D CB -0.053 40.742 40.800 -0.009 0.000 0.948 374 D HN 0.354 nan 8.370 nan 0.000 0.460 375 A N -0.170 122.654 122.820 0.007 0.000 1.970 375 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 375 A C 2.305 179.905 177.584 0.026 0.000 1.170 375 A CA 1.506 53.548 52.037 0.008 0.000 0.645 375 A CB -0.576 18.424 19.000 -0.001 0.000 0.816 375 A HN 0.168 nan 8.150 nan 0.000 0.447 376 T N -0.116 114.472 114.554 0.057 0.000 2.746 376 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 376 T C 2.026 176.840 174.700 0.191 0.000 1.039 376 T CA 2.012 64.193 62.100 0.136 0.000 1.142 376 T CB -0.419 68.532 68.868 0.139 0.000 0.866 376 T HN 0.535 nan 8.240 nan 0.000 0.444 377 T N 1.770 116.393 114.554 0.116 0.000 2.701 377 T HA -0.106 4.244 4.350 -0.000 0.000 0.263 377 T C 2.308 177.060 174.700 0.087 0.000 1.040 377 T CA 1.670 63.836 62.100 0.110 0.000 1.147 377 T CB -0.782 68.122 68.868 0.060 0.000 0.865 377 T HN 0.388 nan 8.240 nan 0.000 0.426 378 T N 2.580 117.161 114.554 0.044 0.000 2.685 378 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 378 T C 1.881 176.572 174.700 -0.014 0.000 1.034 378 T CA 1.283 63.394 62.100 0.018 0.000 1.149 378 T CB -0.509 68.363 68.868 0.007 0.000 0.860 378 T HN 0.164 nan 8.240 nan 0.000 0.449 379 L N -0.157 121.037 121.223 -0.048 0.000 2.005 379 L HA 0.003 4.343 4.340 -0.000 0.000 0.207 379 L C 2.137 178.816 176.870 -0.320 0.000 1.072 379 L CA 1.688 56.417 54.840 -0.186 0.000 0.744 379 L CB -0.797 41.116 42.059 -0.245 0.000 0.895 379 L HN 0.201 nan 8.230 nan 0.000 0.433 380 Y N 0.447 120.695 120.300 -0.087 0.000 2.274 380 Y HA -0.191 4.359 4.550 -0.000 0.000 0.290 380 Y C 2.457 178.267 175.900 -0.150 0.000 1.145 380 Y CA 1.945 59.963 58.100 -0.138 0.000 1.203 380 Y CB -0.868 37.556 38.460 -0.060 0.000 0.984 380 Y HN 0.417 nan 8.280 nan 0.000 0.533 381 N N -0.491 118.226 118.700 0.027 0.000 2.188 381 N HA -0.165 4.575 4.740 -0.000 0.000 0.184 381 N C 1.986 177.448 175.510 -0.079 0.000 1.018 381 N CA 0.715 53.760 53.050 -0.009 0.000 0.858 381 N CB -0.234 38.264 38.487 0.019 0.000 0.989 381 N HN 0.331 nan 8.380 nan 0.000 0.426 382 A N 1.394 124.168 122.820 -0.077 0.000 1.969 382 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 382 A C 2.029 179.499 177.584 -0.190 0.000 1.169 382 A CA 1.221 53.227 52.037 -0.052 0.000 0.635 382 A CB -0.143 18.870 19.000 0.022 0.000 0.810 382 A HN 0.170 nan 8.150 nan 0.000 0.445 383 K N -0.887 119.328 120.400 -0.308 0.000 2.076 383 K HA -0.068 4.252 4.320 -0.000 0.000 0.204 383 K C 2.338 178.666 176.600 -0.453 0.000 1.051 383 K CA 1.256 57.257 56.287 -0.476 0.000 0.949 383 K CB -0.129 31.881 32.500 -0.818 0.000 0.726 383 K HN 0.553 nan 8.250 nan 0.000 0.443 384 Q N 0.569 120.160 119.800 -0.348 0.000 2.050 384 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 384 Q C 1.788 177.706 176.000 -0.138 0.000 0.980 384 Q CA 1.232 56.996 55.803 -0.066 0.000 0.840 384 Q CB 0.220 28.969 28.738 0.019 0.000 0.898 384 Q HN 0.228 nan 8.270 nan 0.000 0.424 385 E N 0.306 120.308 120.200 -0.330 0.000 2.204 385 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 385 E C 1.954 178.164 176.600 -0.649 0.000 0.989 385 E CA 0.579 56.602 56.400 -0.629 0.000 0.824 385 E CB -0.046 28.906 29.700 -1.246 0.000 0.756 385 E HN 0.236 nan 8.360 nan 0.000 0.477 386 L N 0.825 121.790 121.223 -0.430 0.000 2.072 386 L HA 0.034 4.374 4.340 -0.000 0.000 0.205 386 L C 2.203 178.961 176.870 -0.186 0.000 1.079 386 L CA 1.757 56.461 54.840 -0.227 0.000 0.752 386 L CB -0.644 41.346 42.059 -0.114 0.000 0.906 386 L HN -0.009 nan 8.230 nan 0.000 0.436 387 A N -0.435 122.320 122.820 -0.107 0.000 1.902 387 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 387 A C 2.285 179.814 177.584 -0.091 0.000 1.181 387 A CA 1.878 53.869 52.037 -0.077 0.000 0.623 387 A CB -1.020 18.100 19.000 0.201 0.000 0.818 387 A HN 0.659 nan 8.150 nan 0.000 0.443 388 N N 0.216 118.914 118.700 -0.005 0.000 2.166 388 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 388 N C 1.839 177.354 175.510 0.009 0.000 1.019 388 N CA 1.302 54.389 53.050 0.062 0.000 0.856 388 N CB -0.165 38.322 38.487 -0.000 0.000 0.993 388 N HN 0.402 nan 8.380 nan 0.000 0.426 389 A N 0.957 123.730 122.820 -0.077 0.000 2.066 389 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 389 A C 2.240 179.790 177.584 -0.057 0.000 1.157 389 A CA 0.613 52.631 52.037 -0.032 0.000 0.670 389 A CB -0.217 18.780 19.000 -0.005 0.000 0.804 389 A HN 0.271 nan 8.150 nan 0.000 0.453 390 R N -1.863 118.485 120.500 -0.254 0.000 2.075 390 R HA -0.041 4.299 4.340 -0.000 0.000 0.226 390 R C 1.849 177.955 176.300 -0.325 0.000 1.114 390 R CA 1.476 57.311 56.100 -0.442 0.000 0.972 390 R CB -0.345 29.396 30.300 -0.932 0.000 0.869 390 R HN 0.716 nan 8.270 nan 0.000 0.437 391 Y N 0.630 120.840 120.300 -0.150 0.000 2.200 391 Y HA -0.162 4.388 4.550 -0.000 0.000 0.290 391 Y C 2.239 178.081 175.900 -0.096 0.000 1.137 391 Y CA 1.025 59.016 58.100 -0.183 0.000 1.163 391 Y CB -0.254 38.143 38.460 -0.105 0.000 0.988 391 Y HN 0.177 nan 8.280 nan 0.000 0.518 392 N N -0.488 118.280 118.700 0.114 0.000 2.104 392 N HA -0.274 4.466 4.740 -0.000 0.000 0.190 392 N C 1.773 177.333 175.510 0.082 0.000 1.024 392 N CA 1.551 54.654 53.050 0.090 0.000 0.853 392 N CB -0.405 38.132 38.487 0.084 0.000 1.008 392 N HN 0.338 nan 8.380 nan 0.000 0.424 393 Y N 2.172 122.463 120.300 -0.015 0.000 2.097 393 Y HA -0.185 4.365 4.550 -0.000 0.000 0.282 393 Y C 2.195 178.093 175.900 -0.003 0.000 1.152 393 Y CA 1.515 59.619 58.100 0.006 0.000 1.136 393 Y CB -0.578 37.920 38.460 0.064 0.000 0.975 393 Y HN -0.007 nan 8.280 nan 0.000 0.498 394 L N -0.249 120.898 121.223 -0.127 0.000 2.083 394 L HA -0.244 4.096 4.340 -0.000 0.000 0.209 394 L C 2.425 179.217 176.870 -0.129 0.000 1.083 394 L CA 0.922 55.628 54.840 -0.223 0.000 0.752 394 L CB -0.626 41.248 42.059 -0.308 0.000 0.899 394 L HN 0.318 nan 8.230 nan 0.000 0.433 395 I N 0.118 120.660 120.570 -0.045 0.000 2.286 395 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 395 I C 1.981 178.089 176.117 -0.016 0.000 1.115 395 I CA 1.407 62.731 61.300 0.039 0.000 1.392 395 I CB -0.932 37.115 38.000 0.078 0.000 1.065 395 I HN 0.420 nan 8.210 nan 0.000 0.418 396 N N 0.535 119.192 118.700 -0.071 0.000 2.457 396 N HA -0.101 4.639 4.740 -0.000 0.000 0.180 396 N C 1.785 177.216 175.510 -0.131 0.000 1.050 396 N CA 0.553 53.553 53.050 -0.082 0.000 0.906 396 N CB 0.052 38.496 38.487 -0.072 0.000 0.968 396 N HN 0.434 nan 8.380 nan 0.000 0.445 397 Q N 0.418 120.086 119.800 -0.221 0.000 2.119 397 Q HA -0.033 4.307 4.340 -0.000 0.000 0.201 397 Q C 1.849 177.793 176.000 -0.093 0.000 0.972 397 Q CA 0.712 56.392 55.803 -0.206 0.000 0.847 397 Q CB -0.152 28.418 28.738 -0.280 0.000 0.903 397 Q HN 0.244 nan 8.270 nan 0.000 0.433 398 L N 1.101 122.291 121.223 -0.054 0.000 2.056 398 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 398 L C 1.758 178.617 176.870 -0.018 0.000 1.078 398 L CA 1.599 56.429 54.840 -0.017 0.000 0.749 398 L CB -1.105 40.971 42.059 0.029 0.000 0.901 398 L HN 0.270 nan 8.230 nan 0.000 0.433 399 N N -0.910 117.781 118.700 -0.015 0.000 2.309 399 N HA -0.144 4.596 4.740 -0.000 0.000 0.182 399 N C 1.893 177.398 175.510 -0.009 0.000 1.018 399 N CA 0.650 53.695 53.050 -0.007 0.000 0.876 399 N CB 0.133 38.620 38.487 -0.000 0.000 0.972 399 N HN 0.262 nan 8.380 nan 0.000 0.434 400 I N 0.974 121.535 120.570 -0.015 0.000 2.480 400 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 400 I C 2.050 178.163 176.117 -0.008 0.000 1.124 400 I CA 0.901 62.199 61.300 -0.003 0.000 1.444 400 I CB 0.178 38.182 38.000 0.007 0.000 1.098 400 I HN -0.095 nan 8.210 nan 0.000 0.428 401 K N 0.252 120.640 120.400 -0.019 0.000 2.057 401 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 401 K C 2.330 178.918 176.600 -0.020 0.000 1.049 401 K CA 1.601 57.876 56.287 -0.021 0.000 0.931 401 K CB -0.647 31.835 32.500 -0.030 0.000 0.714 401 K HN 0.317 nan 8.250 nan 0.000 0.440 402 S N 0.522 116.210 115.700 -0.020 0.000 2.368 402 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 402 S C 1.996 176.589 174.600 -0.012 0.000 1.030 402 S CA 1.399 59.589 58.200 -0.018 0.000 0.999 402 S CB -0.131 63.058 63.200 -0.017 0.000 0.844 402 S HN 0.328 nan 8.310 nan 0.000 0.459 403 A N 1.171 123.986 122.820 -0.008 0.000 2.019 403 A HA 0.134 4.454 4.320 -0.000 0.000 0.219 403 A C 2.176 179.756 177.584 -0.006 0.000 1.164 403 A CA 1.090 53.123 52.037 -0.007 0.000 0.644 403 A CB -0.607 18.390 19.000 -0.005 0.000 0.805 403 A HN 0.595 nan 8.150 nan 0.000 0.449 404 L N -1.946 119.273 121.223 -0.006 0.000 2.217 404 L HA 0.044 4.384 4.340 -0.000 0.000 0.211 404 L C 2.056 178.924 176.870 -0.003 0.000 1.107 404 L CA 0.990 55.828 54.840 -0.004 0.000 0.783 404 L CB -0.340 41.717 42.059 -0.004 0.000 0.919 404 L HN 0.618 nan 8.230 nan 0.000 0.442 405 G N -0.397 108.400 108.800 -0.006 0.000 2.213 405 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.226 405 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.226 405 G C 0.858 175.752 174.900 -0.009 0.000 0.992 405 G CA 0.517 45.614 45.100 -0.005 0.000 0.632 405 G HN 0.345 nan 8.290 nan 0.000 0.511 406 T N -0.730 113.817 114.554 -0.012 0.000 3.223 406 T HA 0.586 4.936 4.350 -0.000 0.000 0.259 406 T C 0.836 175.520 174.700 -0.026 0.000 1.015 406 T CA -0.181 61.910 62.100 -0.015 0.000 0.908 406 T CB 0.235 69.098 68.868 -0.010 0.000 1.054 406 T HN 0.487 nan 8.240 nan 0.000 0.567 407 L N 3.626 124.829 121.223 -0.035 0.000 2.369 407 L HA 0.386 4.726 4.340 -0.000 0.000 0.279 407 L C -0.295 176.534 176.870 -0.069 0.000 1.108 407 L CA -0.180 54.628 54.840 -0.053 0.000 0.852 407 L CB 0.007 42.031 42.059 -0.058 0.000 1.169 407 L HN 0.623 nan 8.230 nan 0.000 0.452 408 N N 1.336 119.989 118.700 -0.078 0.000 3.343 408 N HA 0.233 4.973 4.740 -0.000 0.000 0.330 408 N C 0.014 175.449 175.510 -0.126 0.000 1.560 408 N CA -0.863 52.137 53.050 -0.083 0.000 0.752 408 N CB 0.464 38.927 38.487 -0.041 0.000 1.863 408 N HN 0.393 nan 8.380 nan 0.000 0.636 409 E N -1.065 119.081 120.200 -0.091 0.000 2.427 409 E HA -0.105 4.245 4.350 -0.000 0.000 0.196 409 E C 0.736 177.299 176.600 -0.062 0.000 1.028 409 E CA 0.592 56.935 56.400 -0.095 0.000 0.864 409 E CB -0.099 29.616 29.700 0.026 0.000 0.813 409 E HN 0.407 nan 8.360 nan 0.000 0.514 410 Q N 1.321 121.095 119.800 -0.044 0.000 2.083 410 Q HA -0.114 4.226 4.340 -0.000 0.000 0.198 410 Q C 1.600 177.575 176.000 -0.042 0.000 0.969 410 Q CA 1.295 57.079 55.803 -0.032 0.000 0.838 410 Q CB -0.099 28.627 28.738 -0.019 0.000 0.900 410 Q HN 0.258 nan 8.270 nan 0.000 0.436 411 D N -0.405 119.962 120.400 -0.056 0.000 2.144 411 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 411 D C 1.713 177.972 176.300 -0.069 0.000 0.984 411 D CA 0.667 54.634 54.000 -0.056 0.000 0.834 411 D CB -0.005 40.757 40.800 -0.063 0.000 0.955 411 D HN 0.175 nan 8.370 nan 0.000 0.465 412 L N 0.738 121.890 121.223 -0.118 0.000 2.313 412 L HA -0.021 4.319 4.340 -0.000 0.000 0.214 412 L C 2.056 178.866 176.870 -0.100 0.000 1.119 412 L CA 0.562 55.311 54.840 -0.153 0.000 0.809 412 L CB -0.032 41.855 42.059 -0.288 0.000 0.933 412 L HN 0.036 nan 8.230 nan 0.000 0.449 413 L N -0.832 120.353 121.223 -0.065 0.000 2.027 413 L HA -0.130 4.210 4.340 -0.000 0.000 0.206 413 L C 2.482 179.343 176.870 -0.016 0.000 1.074 413 L CA 1.819 56.638 54.840 -0.034 0.000 0.745 413 L CB -0.792 41.255 42.059 -0.019 0.000 0.898 413 L HN 0.348 nan 8.230 nan 0.000 0.433 414 A N 0.349 123.163 122.820 -0.010 0.000 1.883 414 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 414 A C 2.244 179.848 177.584 0.034 0.000 1.186 414 A CA 1.818 53.859 52.037 0.008 0.000 0.624 414 A CB -0.817 18.185 19.000 0.003 0.000 0.822 414 A HN 0.519 nan 8.150 nan 0.000 0.444 415 L N -0.766 120.484 121.223 0.045 0.000 2.083 415 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 415 L C 2.455 179.389 176.870 0.107 0.000 1.083 415 L CA 1.700 56.611 54.840 0.118 0.000 0.752 415 L CB -0.543 41.607 42.059 0.151 0.000 0.899 415 L HN 0.530 nan 8.230 nan 0.000 0.433 416 N N 0.402 119.112 118.700 0.018 0.000 2.381 416 N HA -0.164 4.576 4.740 -0.000 0.000 0.182 416 N C 1.359 176.891 175.510 0.037 0.000 1.025 416 N CA 1.027 54.074 53.050 -0.005 0.000 0.888 416 N CB -0.083 38.370 38.487 -0.057 0.000 0.965 416 N HN 0.308 nan 8.380 nan 0.000 0.438 417 N N -0.818 117.907 118.700 0.041 0.000 2.515 417 N HA 0.027 4.767 4.740 -0.000 0.000 0.185 417 N C 0.414 175.964 175.510 0.067 0.000 1.109 417 N CA 0.365 53.442 53.050 0.045 0.000 0.903 417 N CB 0.119 38.624 38.487 0.030 0.000 0.969 417 N HN 0.232 nan 8.380 nan 0.000 0.450 418 A N 0.413 123.294 122.820 0.102 0.000 2.423 418 A HA 0.276 4.596 4.320 -0.000 0.000 0.246 418 A C 0.397 178.083 177.584 0.169 0.000 1.278 418 A CA -0.142 51.977 52.037 0.136 0.000 0.903 418 A CB 0.161 19.262 19.000 0.168 0.000 0.997 418 A HN 0.069 nan 8.150 nan 0.000 0.510 419 L N -0.851 120.461 121.223 0.148 0.000 2.304 419 L HA 0.691 5.031 4.340 -0.000 0.000 0.268 419 L C 0.925 177.862 176.870 0.112 0.000 1.010 419 L CA -0.056 54.880 54.840 0.160 0.000 0.813 419 L CB 1.973 44.135 42.059 0.173 0.000 1.315 419 L HN 0.385 nan 8.230 nan 0.000 0.445 420 S N -1.207 114.557 115.700 0.107 0.000 4.226 420 S HA 0.303 4.773 4.470 -0.000 0.000 0.206 420 S C -0.645 173.997 174.600 0.069 0.000 1.207 420 S CA -0.863 57.384 58.200 0.078 0.000 1.174 420 S CB 0.300 63.542 63.200 0.070 0.000 1.984 420 S HN 0.400 nan 8.310 nan 0.000 0.668 421 K N 2.723 123.158 120.400 0.058 0.000 2.414 421 K HA 0.360 4.680 4.320 -0.000 0.000 0.272 421 K C -2.669 173.957 176.600 0.044 0.000 0.993 421 K CA -1.149 55.165 56.287 0.045 0.000 0.964 421 K CB -0.272 32.250 32.500 0.036 0.000 0.925 421 K HN 0.281 nan 8.250 nan 0.000 0.487 422 P HA 0.005 nan 4.420 nan 0.000 0.266 422 P C -1.030 176.277 177.300 0.011 0.000 1.195 422 P CA -0.056 63.059 63.100 0.025 0.000 0.768 422 P CB 0.633 32.347 31.700 0.024 0.000 0.838 423 V N 1.360 121.270 119.914 -0.006 0.000 2.808 423 V HA 0.366 4.486 4.120 -0.000 0.000 0.308 423 V C -0.046 176.026 176.094 -0.037 0.000 1.099 423 V CA -0.752 61.535 62.300 -0.021 0.000 0.920 423 V CB 2.092 33.897 31.823 -0.029 0.000 1.014 423 V HN 0.578 nan 8.190 nan 0.000 0.425 424 S N 1.807 117.488 115.700 -0.031 0.000 2.545 424 S HA 0.239 4.709 4.470 -0.000 0.000 0.275 424 S C 1.091 175.662 174.600 -0.048 0.000 1.299 424 S CA 0.404 58.586 58.200 -0.030 0.000 1.048 424 S CB 1.351 64.546 63.200 -0.009 0.000 0.938 424 S HN 1.186 nan 8.310 nan 0.000 0.496 425 T N 0.318 114.838 114.554 -0.057 0.000 3.107 425 T HA 0.220 4.570 4.350 -0.000 0.000 0.249 425 T C 0.469 175.164 174.700 -0.008 0.000 1.096 425 T CA -0.109 61.951 62.100 -0.067 0.000 1.012 425 T CB -0.611 68.181 68.868 -0.126 0.000 0.977 425 T HN 0.710 nan 8.240 nan 0.000 0.527 426 N N 1.744 120.456 118.700 0.020 0.000 2.716 426 N HA 0.265 5.005 4.740 -0.000 0.000 0.245 426 N C -3.061 172.462 175.510 0.021 0.000 1.495 426 N CA -0.939 52.136 53.050 0.041 0.000 0.759 426 N CB 1.519 40.066 38.487 0.100 0.000 1.261 426 N HN 0.185 nan 8.380 nan 0.000 0.515 427 P HA 0.388 nan 4.420 nan 0.000 0.302 427 P C -0.498 176.799 177.300 -0.006 0.000 1.307 427 P CA -0.208 62.889 63.100 -0.004 0.000 0.754 427 P CB 1.460 33.150 31.700 -0.016 0.000 1.298 428 E N 0.000 120.195 120.200 -0.009 0.000 2.725 428 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 428 E CA 0.000 56.391 56.400 -0.014 0.000 0.976 428 E CB 0.000 29.692 29.700 -0.014 0.000 0.812 428 E HN 0.000 nan 8.360 nan 0.000 0.440