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 3log_1_D DATA FIRST_RESID 10 DATA SEQUENCE AVSTASSSIP MPAGVNPADL AAELAAVVTE SVDEDYLLYE CDGQWVLAAG DATA SEQUENCE VQAMVELDSD ELRVIRDGVT RRQQWSGRPG AALGEAVDRL LLETDQAFGW DATA SEQUENCE VAFEFGVHRY GLQQRLAPHT PLARVFSPRT RIMVSEKEIR LFDAGIRHRE DATA SEQUENCE AIDRLLATGV REVPQSRSVD VSDDPSGFRR RVAVAVDEIA AGRYHKVILS DATA SEQUENCE RCVEVPFAID FPLTYRLGRR HNTPVRSFLL QLGGIRALGY SPELVTAVRA DATA SEQUENCE DGVVITEPLA GTRALGRGPA IDRLARDDLE SNSKEIVEHA ISVRSSLEEI DATA SEQUENCE TDIAEPGSAA VIDFMTVRER GSVQHLGSTI RARLDPSSDR MAALEALFPA DATA SEQUENCE VTASGIPKAA GVEAIFRLDE CPRGLYSGAV VMLSADGGLD AALTLRAAYQ DATA SEQUENCE VGGRTWLRAG AGIIEESEPE REFEETCEKL STLTPYLVAR 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.588 177.584 0.007 0.000 1.274 10 A CA 0.000 52.039 52.037 0.004 0.000 0.836 10 A CB 0.000 19.001 19.000 0.001 0.000 0.831 11 V N 2.673 122.590 119.914 0.005 0.000 2.409 11 V HA 0.692 4.811 4.120 -0.001 0.000 0.291 11 V C 0.050 176.153 176.094 0.015 0.000 1.020 11 V CA 0.276 62.581 62.300 0.009 0.000 0.848 11 V CB 1.344 33.169 31.823 0.003 0.000 0.990 11 V HN 0.810 nan 8.190 nan 0.000 0.430 12 S N 2.828 118.546 115.700 0.031 0.000 2.661 12 S HA 0.718 5.188 4.470 -0.001 0.000 0.285 12 S C -0.570 174.077 174.600 0.078 0.000 1.138 12 S CA -0.808 57.425 58.200 0.054 0.000 0.855 12 S CB 2.246 65.487 63.200 0.068 0.000 1.136 12 S HN 0.487 nan 8.310 nan 0.000 0.484 13 T N 1.774 116.410 114.554 0.136 0.000 2.794 13 T HA 0.732 5.081 4.350 -0.001 0.000 0.280 13 T C 0.291 175.108 174.700 0.195 0.000 0.987 13 T CA -0.267 61.935 62.100 0.169 0.000 0.993 13 T CB 1.143 70.141 68.868 0.217 0.000 0.939 13 T HN 1.037 nan 8.240 nan 0.000 0.449 14 A N 3.187 126.058 122.820 0.085 0.000 2.462 14 A HA 0.591 4.910 4.320 -0.001 0.000 0.243 14 A C 0.642 178.148 177.584 -0.131 0.000 1.076 14 A CA -0.502 51.534 52.037 -0.002 0.000 0.773 14 A CB 0.007 18.997 19.000 -0.016 0.000 1.010 14 A HN 0.909 nan 8.150 nan 0.000 0.493 15 S N 0.786 116.302 115.700 -0.307 0.000 2.599 15 S HA 0.776 5.245 4.470 -0.001 0.000 0.294 15 S C -0.136 174.275 174.600 -0.316 0.000 1.094 15 S CA -0.061 57.788 58.200 -0.586 0.000 0.931 15 S CB 1.489 63.902 63.200 -1.312 0.000 1.093 15 S HN 1.657 nan 8.310 nan 0.000 0.488 16 S N 0.412 115.949 115.700 -0.272 0.000 2.651 16 S HA 0.786 5.255 4.470 -0.001 0.000 0.291 16 S C -0.263 174.248 174.600 -0.148 0.000 1.141 16 S CA -0.505 57.600 58.200 -0.158 0.000 1.027 16 S CB 1.278 64.416 63.200 -0.103 0.000 1.043 16 S HN 1.286 nan 8.310 nan 0.000 0.530 17 S N 1.325 116.971 115.700 -0.089 0.000 2.536 17 S HA 0.709 5.178 4.470 -0.001 0.000 0.287 17 S C -1.182 173.398 174.600 -0.034 0.000 1.101 17 S CA -0.896 57.268 58.200 -0.060 0.000 0.950 17 S CB 0.523 63.694 63.200 -0.048 0.000 1.056 17 S HN 0.741 nan 8.310 nan 0.000 0.481 18 I N 4.181 124.740 120.570 -0.020 0.000 2.498 18 I HA 0.427 4.596 4.170 -0.001 0.000 0.290 18 I C -2.424 173.690 176.117 -0.005 0.000 1.032 18 I CA -2.559 58.734 61.300 -0.012 0.000 1.073 18 I CB 2.537 40.532 38.000 -0.008 0.000 1.251 18 I HN 0.468 nan 8.210 nan 0.000 0.426 19 P HA 0.149 nan 4.420 nan 0.000 0.272 19 P C -0.535 176.763 177.300 -0.003 0.000 1.223 19 P CA -0.414 62.685 63.100 -0.002 0.000 0.784 19 P CB 0.457 32.155 31.700 -0.003 0.000 0.923 20 M N 3.267 122.866 119.600 -0.002 0.000 2.251 20 M HA 0.174 4.653 4.480 -0.001 0.000 0.346 20 M C -1.985 174.307 176.300 -0.014 0.000 1.499 20 M CA -1.879 53.415 55.300 -0.009 0.000 1.128 20 M CB -0.703 31.892 32.600 -0.009 0.000 1.809 20 M HN 0.179 nan 8.290 nan 0.000 0.464 21 P HA 0.031 nan 4.420 nan 0.000 0.266 21 P C 0.337 177.624 177.300 -0.021 0.000 1.193 21 P CA 0.064 63.152 63.100 -0.019 0.000 0.770 21 P CB 0.439 32.126 31.700 -0.021 0.000 0.836 22 A N 3.031 125.840 122.820 -0.018 0.000 1.902 22 A HA -0.046 4.273 4.320 -0.001 0.000 0.217 22 A C 1.904 179.474 177.584 -0.022 0.000 1.181 22 A CA 1.900 53.927 52.037 -0.017 0.000 0.623 22 A CB -1.401 17.590 19.000 -0.014 0.000 0.818 22 A HN 0.647 nan 8.150 nan 0.000 0.443 23 G N -0.841 107.944 108.800 -0.026 0.000 3.518 23 G HA2 0.431 4.390 3.960 -0.001 0.000 0.273 23 G HA3 0.431 4.390 3.960 -0.001 0.000 0.273 23 G C -0.256 174.619 174.900 -0.041 0.000 1.199 23 G CA 0.128 45.209 45.100 -0.031 0.000 0.899 23 G HN 0.225 nan 8.290 nan 0.000 0.533 24 V N 0.952 120.838 119.914 -0.046 0.000 2.409 24 V HA 0.287 4.406 4.120 -0.001 0.000 0.291 24 V C -0.347 175.695 176.094 -0.086 0.000 1.020 24 V CA -1.566 60.696 62.300 -0.063 0.000 0.848 24 V CB 1.588 33.376 31.823 -0.058 0.000 0.990 24 V HN 0.236 nan 8.190 nan 0.000 0.430 25 N N 6.894 125.527 118.700 -0.112 0.000 2.497 25 N HA 0.210 4.949 4.740 -0.001 0.000 0.268 25 N C -1.507 173.849 175.510 -0.255 0.000 1.171 25 N CA -1.606 51.347 53.050 -0.163 0.000 0.948 25 N CB 2.113 40.505 38.487 -0.158 0.000 1.069 25 N HN 0.293 nan 8.380 nan 0.000 0.460 26 P HA -0.064 nan 4.420 nan 0.000 0.219 26 P C 0.783 177.555 177.300 -0.879 0.000 1.150 26 P CA 0.930 63.733 63.100 -0.495 0.000 0.814 26 P CB 0.125 31.569 31.700 -0.427 0.000 0.787 27 A N 0.618 122.760 122.820 -1.129 0.000 1.940 27 A HA -0.204 4.115 4.320 -0.001 0.000 0.219 27 A C 2.061 179.451 177.584 -0.325 0.000 1.176 27 A CA 1.966 53.446 52.037 -0.929 0.000 0.631 27 A CB -1.204 17.566 19.000 -0.384 0.000 0.814 27 A HN 0.098 nan 8.150 nan 0.000 0.446 28 D N -0.588 119.667 120.400 -0.242 0.000 2.123 28 D HA -0.088 4.551 4.640 -0.001 0.000 0.200 28 D C 1.893 178.131 176.300 -0.104 0.000 0.976 28 D CA 1.194 55.127 54.000 -0.111 0.000 0.831 28 D CB -0.330 40.410 40.800 -0.100 0.000 0.974 28 D HN 0.348 nan 8.370 nan 0.000 0.469 29 L N 1.351 122.485 121.223 -0.148 0.000 2.056 29 L HA -0.053 4.287 4.340 -0.001 0.000 0.207 29 L C 2.201 179.013 176.870 -0.097 0.000 1.078 29 L CA 1.624 56.400 54.840 -0.107 0.000 0.749 29 L CB -0.800 41.196 42.059 -0.105 0.000 0.901 29 L HN -0.067 nan 8.230 nan 0.000 0.433 30 A N -0.451 122.278 122.820 -0.151 0.000 1.908 30 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 30 A C 2.450 180.002 177.584 -0.052 0.000 1.181 30 A CA 1.977 53.964 52.037 -0.084 0.000 0.627 30 A CB -1.202 17.737 19.000 -0.102 0.000 0.818 30 A HN 0.572 nan 8.150 nan 0.000 0.445 31 A N -0.663 122.138 122.820 -0.032 0.000 1.898 31 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 31 A C 1.957 179.527 177.584 -0.023 0.000 1.181 31 A CA 1.656 53.696 52.037 0.006 0.000 0.620 31 A CB -0.392 18.710 19.000 0.171 0.000 0.819 31 A HN 0.448 nan 8.150 nan 0.000 0.442 32 E N 0.103 120.289 120.200 -0.024 0.000 2.072 32 E HA -0.129 4.220 4.350 -0.001 0.000 0.191 32 E C 2.066 178.630 176.600 -0.060 0.000 0.985 32 E CA 0.829 57.210 56.400 -0.032 0.000 0.801 32 E CB -0.476 29.208 29.700 -0.027 0.000 0.750 32 E HN 0.665 nan 8.360 nan 0.000 0.452 33 L N 0.593 121.776 121.223 -0.066 0.000 2.012 33 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 33 L C 2.560 179.341 176.870 -0.148 0.000 1.073 33 L CA 1.341 56.136 54.840 -0.074 0.000 0.748 33 L CB -0.565 41.469 42.059 -0.042 0.000 0.891 33 L HN 0.076 nan 8.230 nan 0.000 0.431 34 A N -0.156 122.534 122.820 -0.216 0.000 1.892 34 A HA -0.261 4.058 4.320 -0.001 0.000 0.218 34 A C 2.475 179.718 177.584 -0.567 0.000 1.188 34 A CA 2.163 53.892 52.037 -0.512 0.000 0.631 34 A CB -0.809 17.904 19.000 -0.478 0.000 0.822 34 A HN 0.457 nan 8.150 nan 0.000 0.447 35 A N -1.140 121.524 122.820 -0.261 0.000 1.854 35 A HA 0.101 4.420 4.320 -0.001 0.000 0.214 35 A C 2.247 179.772 177.584 -0.098 0.000 1.192 35 A CA 1.813 53.776 52.037 -0.124 0.000 0.611 35 A CB -0.786 18.199 19.000 -0.026 0.000 0.832 35 A HN 0.399 nan 8.150 nan 0.000 0.442 36 V N -0.837 119.024 119.914 -0.088 0.000 2.426 36 V HA -0.103 4.016 4.120 -0.001 0.000 0.242 36 V C 2.516 178.565 176.094 -0.075 0.000 1.036 36 V CA 1.504 63.768 62.300 -0.059 0.000 1.044 36 V CB -0.214 31.583 31.823 -0.043 0.000 0.688 36 V HN 0.316 nan 8.190 nan 0.000 0.462 37 V N 1.073 120.931 119.914 -0.094 0.000 2.379 37 V HA -0.208 3.912 4.120 -0.001 0.000 0.245 37 V C 2.824 178.841 176.094 -0.129 0.000 1.044 37 V CA 2.476 64.716 62.300 -0.101 0.000 1.036 37 V CB -0.962 30.827 31.823 -0.056 0.000 0.664 37 V HN 0.810 nan 8.190 nan 0.000 0.453 38 T N -2.031 112.448 114.554 -0.124 0.000 2.857 38 T HA -0.192 4.157 4.350 -0.001 0.000 0.266 38 T C 1.740 176.423 174.700 -0.029 0.000 1.048 38 T CA 1.544 63.602 62.100 -0.069 0.000 1.139 38 T CB -0.246 68.574 68.868 -0.080 0.000 0.874 38 T HN 0.544 nan 8.240 nan 0.000 0.455 39 E N 1.342 121.524 120.200 -0.031 0.000 2.106 39 E HA -0.143 4.206 4.350 -0.001 0.000 0.192 39 E C 2.413 178.997 176.600 -0.027 0.000 0.984 39 E CA 1.290 57.687 56.400 -0.004 0.000 0.806 39 E CB -0.135 29.567 29.700 0.003 0.000 0.750 39 E HN 0.746 nan 8.360 nan 0.000 0.458 40 S N -0.540 115.127 115.700 -0.054 0.000 2.402 40 S HA -0.071 4.398 4.470 -0.001 0.000 0.229 40 S C 1.848 176.399 174.600 -0.081 0.000 1.021 40 S CA 0.995 59.158 58.200 -0.062 0.000 0.974 40 S CB 0.087 63.246 63.200 -0.068 0.000 0.800 40 S HN 0.131 nan 8.310 nan 0.000 0.484 41 V N 1.750 121.590 119.914 -0.122 0.000 3.649 41 V HA 0.160 4.279 4.120 -0.001 0.000 0.275 41 V C 0.496 176.560 176.094 -0.050 0.000 1.281 41 V CA 0.804 63.025 62.300 -0.132 0.000 1.143 41 V CB -1.250 30.389 31.823 -0.308 0.000 0.892 41 V HN 0.663 nan 8.190 nan 0.000 0.441 42 D N 1.935 122.321 120.400 -0.025 0.000 2.778 42 D HA -0.174 4.465 4.640 -0.001 0.000 0.246 42 D C 0.129 176.442 176.300 0.021 0.000 1.107 42 D CA 1.048 55.049 54.000 0.003 0.000 0.732 42 D CB -0.560 40.241 40.800 0.001 0.000 1.055 42 D HN 0.860 nan 8.370 nan 0.000 0.429 43 E N -0.217 120.009 120.200 0.044 0.000 2.314 43 E HA 0.554 4.903 4.350 -0.001 0.000 0.272 43 E C -0.782 175.882 176.600 0.107 0.000 0.884 43 E CA -1.084 55.356 56.400 0.068 0.000 0.753 43 E CB 1.408 31.169 29.700 0.102 0.000 1.213 43 E HN -0.085 nan 8.360 nan 0.000 0.432 44 D N 1.189 121.603 120.400 0.023 0.000 2.363 44 D HA 0.263 4.903 4.640 -0.001 0.000 0.240 44 D C -0.554 175.770 176.300 0.040 0.000 1.236 44 D CA 0.666 54.635 54.000 -0.051 0.000 0.927 44 D CB 0.374 41.036 40.800 -0.230 0.000 1.150 44 D HN 0.505 nan 8.370 nan 0.000 0.458 45 Y N -1.991 118.246 120.300 -0.105 0.000 2.702 45 Y HA 0.570 5.119 4.550 -0.002 0.000 0.336 45 Y C -2.113 173.841 175.900 0.090 0.000 1.203 45 Y CA -1.295 56.812 58.100 0.012 0.000 1.072 45 Y CB 1.036 39.516 38.460 0.033 0.000 1.327 45 Y HN 0.283 nan 8.280 nan 0.000 0.456 46 L N 3.387 124.818 121.223 0.346 0.000 2.482 46 L HA 0.618 4.957 4.340 -0.001 0.000 0.269 46 L C -2.071 174.935 176.870 0.226 0.000 0.967 46 L CA -1.035 53.966 54.840 0.268 0.000 0.851 46 L CB 1.695 43.955 42.059 0.335 0.000 1.242 46 L HN 0.839 nan 8.230 nan 0.000 0.404 47 L N 5.277 126.680 121.223 0.299 0.000 2.264 47 L HA 0.455 4.794 4.340 -0.001 0.000 0.289 47 L C -1.595 175.451 176.870 0.294 0.000 1.044 47 L CA 0.127 55.102 54.840 0.223 0.000 0.807 47 L CB 1.137 43.293 42.059 0.162 0.000 1.192 47 L HN 0.580 nan 8.230 nan 0.000 0.425 48 Y N 4.180 124.547 120.300 0.111 0.000 2.338 48 Y HA 0.367 4.916 4.550 -0.001 0.000 0.333 48 Y C -0.414 175.475 175.900 -0.017 0.000 0.968 48 Y CA -0.723 57.449 58.100 0.120 0.000 1.123 48 Y CB 1.364 39.941 38.460 0.195 0.000 1.165 48 Y HN 0.693 nan 8.280 nan 0.000 0.452 49 E N 5.899 125.785 120.200 -0.523 0.000 2.130 49 E HA 0.362 4.711 4.350 -0.001 0.000 0.284 49 E C -1.646 174.490 176.600 -0.774 0.000 1.018 49 E CA -0.370 55.513 56.400 -0.861 0.000 0.817 49 E CB 0.744 29.807 29.700 -1.063 0.000 1.078 49 E HN 0.670 nan 8.360 nan 0.000 0.396 50 C N 5.939 124.930 119.300 -0.516 0.000 2.571 50 C HA 0.244 4.703 4.460 -0.001 0.000 0.343 50 C C -1.019 173.857 174.990 -0.191 0.000 1.082 50 C CA -0.487 58.357 59.018 -0.289 0.000 1.339 50 C CB -0.443 27.265 27.740 -0.053 0.000 1.893 50 C HN 0.936 nan 8.230 nan 0.000 0.445 51 D N 4.267 124.561 120.400 -0.177 0.000 2.705 51 D HA -0.139 4.500 4.640 -0.001 0.000 0.240 51 D C 1.172 177.429 176.300 -0.071 0.000 1.137 51 D CA 2.302 56.248 54.000 -0.091 0.000 0.677 51 D CB -1.212 39.566 40.800 -0.036 0.000 1.049 51 D HN 1.814 nan 8.370 nan 0.000 0.427 52 G N -0.680 108.038 108.800 -0.135 0.000 2.179 52 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.260 52 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.260 52 G C 0.051 175.020 174.900 0.116 0.000 0.977 52 G CA 0.249 45.359 45.100 0.018 0.000 0.641 52 G HN 0.396 nan 8.290 nan 0.000 0.533 53 Q N -0.303 119.487 119.800 -0.017 0.000 2.348 53 Q HA 0.306 4.645 4.340 -0.001 0.000 0.265 53 Q C -0.399 175.624 176.000 0.038 0.000 0.998 53 Q CA -0.503 55.373 55.803 0.120 0.000 0.831 53 Q CB 1.029 29.826 28.738 0.097 0.000 1.251 53 Q HN 0.477 nan 8.270 nan 0.000 0.456 54 W N 3.440 124.785 121.300 0.076 0.000 2.387 54 W HA 0.298 4.957 4.660 -0.002 0.000 0.310 54 W C -0.371 176.200 176.519 0.088 0.000 1.181 54 W CA -0.491 56.901 57.345 0.078 0.000 1.333 54 W CB 1.285 30.787 29.460 0.070 0.000 1.286 54 W HN 0.198 nan 8.180 nan 0.000 0.455 55 V N 6.581 126.636 119.914 0.235 0.000 2.328 55 V HA 0.113 4.232 4.120 -0.001 0.000 0.278 55 V C -0.119 176.019 176.094 0.074 0.000 1.021 55 V CA -0.771 61.633 62.300 0.174 0.000 0.838 55 V CB 1.180 33.135 31.823 0.220 0.000 0.999 55 V HN 0.258 nan 8.190 nan 0.000 0.447 56 L N 5.856 127.109 121.223 0.049 0.000 2.259 56 L HA 0.737 5.076 4.340 -0.001 0.000 0.288 56 L C 0.512 177.322 176.870 -0.099 0.000 1.051 56 L CA -0.129 54.715 54.840 0.006 0.000 0.824 56 L CB 0.740 42.823 42.059 0.040 0.000 1.206 56 L HN 0.680 nan 8.230 nan 0.000 0.429 57 A N 5.184 127.851 122.820 -0.255 0.000 2.294 57 A HA 0.810 5.130 4.320 -0.001 0.000 0.316 57 A C -0.088 177.555 177.584 0.098 0.000 1.359 57 A CA 0.001 51.829 52.037 -0.348 0.000 0.956 57 A CB 0.059 18.388 19.000 -1.118 0.000 1.155 57 A HN 0.969 nan 8.150 nan 0.000 0.544 58 A N 2.499 125.401 122.820 0.135 0.000 2.331 58 A HA 0.880 5.199 4.320 -0.001 0.000 0.320 58 A C 0.550 178.267 177.584 0.221 0.000 1.138 58 A CA 0.072 52.239 52.037 0.218 0.000 0.790 58 A CB 0.540 19.662 19.000 0.203 0.000 1.206 58 A HN 2.760 nan 8.150 nan 0.000 0.470 59 G N -0.204 108.714 108.800 0.198 0.000 2.722 59 G HA2 0.165 4.124 3.960 -0.001 0.000 0.686 59 G HA3 0.165 4.124 3.960 -0.001 0.000 0.686 59 G C -0.671 174.320 174.900 0.151 0.000 1.282 59 G CA -0.361 44.821 45.100 0.137 0.000 0.817 59 G HN 1.645 nan 8.290 nan 0.000 0.605 60 V N 3.447 123.393 119.914 0.053 0.000 2.294 60 V HA 0.313 4.432 4.120 -0.001 0.000 0.272 60 V C 1.492 177.651 176.094 0.108 0.000 1.027 60 V CA 0.626 62.974 62.300 0.079 0.000 0.823 60 V CB 0.988 32.742 31.823 -0.116 0.000 1.030 60 V HN 0.973 nan 8.190 nan 0.000 0.457 61 Q N 3.979 123.875 119.800 0.159 0.000 2.050 61 Q HA 0.039 4.379 4.340 -0.001 0.000 0.202 61 Q C 0.712 176.759 176.000 0.078 0.000 0.980 61 Q CA 1.611 57.475 55.803 0.102 0.000 0.840 61 Q CB 0.287 29.082 28.738 0.094 0.000 0.898 61 Q HN 0.864 nan 8.270 nan 0.000 0.424 62 A N 0.096 122.976 122.820 0.100 0.000 2.566 62 A HA 0.574 4.893 4.320 -0.001 0.000 0.297 62 A C -1.599 176.039 177.584 0.090 0.000 1.059 62 A CA -0.734 51.340 52.037 0.063 0.000 0.691 62 A CB 1.539 20.560 19.000 0.035 0.000 1.282 62 A HN 0.268 nan 8.150 nan 0.000 0.401 63 M N 2.415 122.044 119.600 0.048 0.000 2.321 63 M HA 0.652 5.131 4.480 -0.001 0.000 0.315 63 M C -1.730 174.563 176.300 -0.011 0.000 1.052 63 M CA -0.615 54.710 55.300 0.041 0.000 0.936 63 M CB 1.716 34.315 32.600 -0.001 0.000 1.639 63 M HN 0.429 nan 8.290 nan 0.000 0.433 64 V N 5.077 124.967 119.914 -0.039 0.000 2.370 64 V HA 0.453 4.573 4.120 -0.001 0.000 0.279 64 V C -0.548 175.468 176.094 -0.130 0.000 1.029 64 V CA -0.523 61.724 62.300 -0.089 0.000 0.870 64 V CB 1.269 33.019 31.823 -0.122 0.000 0.984 64 V HN 0.817 nan 8.190 nan 0.000 0.451 65 E N 4.586 124.719 120.200 -0.112 0.000 2.145 65 E HA 0.427 4.776 4.350 -0.001 0.000 0.262 65 E C -1.147 175.386 176.600 -0.113 0.000 0.883 65 E CA -0.781 55.544 56.400 -0.125 0.000 0.748 65 E CB 2.432 32.093 29.700 -0.066 0.000 1.140 65 E HN 0.439 nan 8.360 nan 0.000 0.417 66 L N 3.510 124.634 121.223 -0.165 0.000 2.272 66 L HA 0.390 4.729 4.340 -0.001 0.000 0.289 66 L C -0.885 175.973 176.870 -0.019 0.000 1.032 66 L CA -0.058 54.690 54.840 -0.154 0.000 0.810 66 L CB 0.723 42.607 42.059 -0.291 0.000 1.205 66 L HN 0.362 nan 8.230 nan 0.000 0.422 67 D N 1.043 121.520 120.400 0.129 0.000 2.414 67 D HA 0.357 4.996 4.640 -0.001 0.000 0.241 67 D C 0.928 177.476 176.300 0.414 0.000 1.008 67 D CA 0.212 54.350 54.000 0.230 0.000 1.001 67 D CB 2.047 42.980 40.800 0.222 0.000 1.277 67 D HN 0.563 nan 8.370 nan 0.000 0.538 68 S N -0.245 115.663 115.700 0.347 0.000 2.419 68 S HA -0.204 4.266 4.470 -0.001 0.000 0.235 68 S C 0.766 175.488 174.600 0.204 0.000 1.019 68 S CA 1.437 59.855 58.200 0.363 0.000 0.982 68 S CB -0.198 63.120 63.200 0.196 0.000 0.789 68 S HN 0.560 nan 8.310 nan 0.000 0.490 69 D N -0.438 120.054 120.400 0.154 0.000 2.503 69 D HA 0.327 4.966 4.640 -0.001 0.000 0.218 69 D C 0.107 176.449 176.300 0.071 0.000 1.183 69 D CA -0.317 53.670 54.000 -0.021 0.000 0.827 69 D CB -0.039 40.714 40.800 -0.079 0.000 1.034 69 D HN 0.638 nan 8.370 nan 0.000 0.510 70 E N -0.247 120.139 120.200 0.311 0.000 2.380 70 E HA 0.393 4.742 4.350 -0.001 0.000 0.281 70 E C -2.104 174.721 176.600 0.376 0.000 0.999 70 E CA -0.972 55.614 56.400 0.311 0.000 0.800 70 E CB 1.789 31.602 29.700 0.188 0.000 1.228 70 E HN 0.015 nan 8.360 nan 0.000 0.436 71 L N 3.304 124.709 121.223 0.302 0.000 2.307 71 L HA 0.608 4.947 4.340 -0.001 0.000 0.284 71 L C -1.176 175.728 176.870 0.057 0.000 1.023 71 L CA -0.098 54.796 54.840 0.091 0.000 0.810 71 L CB 1.150 43.218 42.059 0.014 0.000 1.231 71 L HN 0.539 nan 8.230 nan 0.000 0.423 72 R N 3.784 124.291 120.500 0.012 0.000 2.670 72 R HA 0.781 5.120 4.340 -0.001 0.000 0.289 72 R C -1.513 174.775 176.300 -0.021 0.000 0.965 72 R CA -0.966 55.138 56.100 0.006 0.000 0.899 72 R CB 2.348 32.656 30.300 0.013 0.000 1.173 72 R HN 0.452 nan 8.270 nan 0.000 0.456 73 V N 4.580 124.485 119.914 -0.015 0.000 2.444 73 V HA 0.453 4.572 4.120 -0.001 0.000 0.294 73 V C -0.582 175.507 176.094 -0.009 0.000 1.022 73 V CA -0.721 61.567 62.300 -0.020 0.000 0.850 73 V CB 1.618 33.427 31.823 -0.023 0.000 0.992 73 V HN 0.566 nan 8.190 nan 0.000 0.426 74 I N 5.132 125.698 120.570 -0.008 0.000 2.382 74 I HA 0.582 4.751 4.170 -0.001 0.000 0.286 74 I C 0.025 176.144 176.117 0.003 0.000 1.002 74 I CA -0.245 61.054 61.300 -0.002 0.000 1.135 74 I CB 1.549 39.546 38.000 -0.005 0.000 1.288 74 I HN 0.514 nan 8.210 nan 0.000 0.448 75 R N 6.152 126.655 120.500 0.005 0.000 2.467 75 R HA 0.320 4.659 4.340 -0.001 0.000 0.299 75 R C -0.547 175.759 176.300 0.010 0.000 1.120 75 R CA -0.161 55.946 56.100 0.011 0.000 0.940 75 R CB 0.522 30.828 30.300 0.010 0.000 1.161 75 R HN 0.816 nan 8.270 nan 0.000 0.506 76 D N 2.609 123.016 120.400 0.012 0.000 4.344 76 D HA -0.255 4.384 4.640 -0.001 0.000 0.144 76 D C 0.819 177.123 176.300 0.007 0.000 0.730 76 D CA 2.258 56.264 54.000 0.011 0.000 1.156 76 D CB -1.019 39.789 40.800 0.013 0.000 0.570 76 D HN 0.690 nan 8.370 nan 0.000 0.533 77 G N 0.206 109.010 108.800 0.007 0.000 3.088 77 G HA2 0.397 4.356 3.960 -0.001 0.000 0.217 77 G HA3 0.397 4.356 3.960 -0.001 0.000 0.217 77 G C 0.269 175.172 174.900 0.005 0.000 1.159 77 G CA 0.355 45.458 45.100 0.005 0.000 0.760 77 G HN 0.307 nan 8.290 nan 0.000 0.550 78 V N 1.134 121.051 119.914 0.005 0.000 2.435 78 V HA 0.490 4.609 4.120 -0.001 0.000 0.290 78 V C -0.269 175.827 176.094 0.004 0.000 1.030 78 V CA -0.430 61.873 62.300 0.005 0.000 0.881 78 V CB 1.645 33.471 31.823 0.005 0.000 0.983 78 V HN 0.040 nan 8.190 nan 0.000 0.445 79 T N 5.570 120.127 114.554 0.004 0.000 2.786 79 T HA 0.463 4.813 4.350 -0.001 0.000 0.283 79 T C -0.240 174.465 174.700 0.007 0.000 0.992 79 T CA -0.478 61.625 62.100 0.005 0.000 0.954 79 T CB 0.949 69.821 68.868 0.006 0.000 0.934 79 T HN 0.674 nan 8.240 nan 0.000 0.440 80 R N 3.192 123.697 120.500 0.007 0.000 2.343 80 R HA 0.535 4.875 4.340 -0.001 0.000 0.320 80 R C -0.741 175.569 176.300 0.017 0.000 0.956 80 R CA -0.720 55.386 56.100 0.010 0.000 0.836 80 R CB 0.765 31.069 30.300 0.006 0.000 1.151 80 R HN 0.553 nan 8.270 nan 0.000 0.450 81 R N 3.187 123.702 120.500 0.025 0.000 2.562 81 R HA 0.279 4.619 4.340 -0.001 0.000 0.298 81 R C -1.001 175.328 176.300 0.048 0.000 0.961 81 R CA -0.710 55.414 56.100 0.040 0.000 0.881 81 R CB 2.225 32.549 30.300 0.041 0.000 1.159 81 R HN 0.735 nan 8.270 nan 0.000 0.450 82 Q N 1.542 121.386 119.800 0.072 0.000 2.472 82 Q HA 0.285 4.625 4.340 -0.001 0.000 0.281 82 Q C -1.204 174.873 176.000 0.129 0.000 0.997 82 Q CA -1.222 54.630 55.803 0.080 0.000 0.828 82 Q CB 1.538 30.318 28.738 0.069 0.000 1.443 82 Q HN 0.241 nan 8.270 nan 0.000 0.390 83 Q N 1.381 121.236 119.800 0.093 0.000 2.382 83 Q HA 0.386 4.726 4.340 -0.001 0.000 0.229 83 Q C -0.569 175.533 176.000 0.169 0.000 1.006 83 Q CA 0.115 55.960 55.803 0.071 0.000 0.916 83 Q CB 1.041 29.769 28.738 -0.017 0.000 1.235 83 Q HN 0.783 nan 8.270 nan 0.000 0.512 84 W N -0.927 120.364 121.300 -0.014 0.000 3.118 84 W HA 0.608 5.267 4.660 -0.002 0.000 0.328 84 W C -1.208 175.298 176.519 -0.022 0.000 1.239 84 W CA -0.929 56.401 57.345 -0.024 0.000 1.176 84 W CB 0.521 29.961 29.460 -0.034 0.000 1.433 84 W HN 0.656 nan 8.180 nan 0.000 0.562 85 S N 0.670 116.439 115.700 0.115 0.000 2.720 85 S HA 0.885 5.354 4.470 -0.001 0.000 0.287 85 S C 0.196 174.894 174.600 0.164 0.000 1.168 85 S CA 0.003 58.164 58.200 -0.064 0.000 0.832 85 S CB 1.510 64.656 63.200 -0.089 0.000 1.166 85 S HN 2.235 nan 8.310 nan 0.000 0.493 86 G N 1.244 110.092 108.800 0.080 0.000 2.539 86 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.256 86 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.256 86 G C -0.676 174.351 174.900 0.212 0.000 1.233 86 G CA -0.209 44.958 45.100 0.113 0.000 0.936 86 G HN 0.963 nan 8.290 nan 0.000 0.571 87 R N 2.055 122.615 120.500 0.102 0.000 2.401 87 R HA 0.270 4.610 4.340 -0.001 0.000 0.299 87 R C -1.066 175.166 176.300 -0.113 0.000 1.064 87 R CA -0.789 55.302 56.100 -0.014 0.000 1.000 87 R CB 1.030 31.287 30.300 -0.073 0.000 0.973 87 R HN 0.394 nan 8.270 nan 0.000 0.438 88 P HA -0.138 nan 4.420 nan 0.000 0.218 88 P C 1.185 178.172 177.300 -0.522 0.000 1.149 88 P CA 1.218 63.827 63.100 -0.817 0.000 0.817 88 P CB 0.168 31.152 31.700 -1.193 0.000 0.785 89 G N 0.660 109.238 108.800 -0.369 0.000 2.450 89 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.220 89 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.220 89 G C 1.767 176.593 174.900 -0.123 0.000 1.130 89 G CA 1.005 46.054 45.100 -0.086 0.000 0.760 89 G HN 0.378 nan 8.290 nan 0.000 0.557 90 A N 0.912 123.645 122.820 -0.145 0.000 1.929 90 A HA 0.425 4.745 4.320 -0.001 0.000 0.216 90 A C 2.781 180.283 177.584 -0.138 0.000 1.176 90 A CA 1.917 53.889 52.037 -0.108 0.000 0.628 90 A CB -0.628 18.334 19.000 -0.063 0.000 0.816 90 A HN 0.673 nan 8.150 nan 0.000 0.444 91 A N -0.429 122.258 122.820 -0.221 0.000 1.873 91 A HA 0.016 4.335 4.320 -0.001 0.000 0.215 91 A C 2.124 179.537 177.584 -0.285 0.000 1.186 91 A CA 1.675 53.541 52.037 -0.285 0.000 0.616 91 A CB -0.642 18.001 19.000 -0.596 0.000 0.823 91 A HN 0.570 nan 8.150 nan 0.000 0.442 92 L N 0.134 121.172 121.223 -0.308 0.000 1.994 92 L HA -0.003 4.336 4.340 -0.001 0.000 0.208 92 L C 2.482 179.238 176.870 -0.190 0.000 1.071 92 L CA 2.367 57.060 54.840 -0.245 0.000 0.745 92 L CB -1.192 40.739 42.059 -0.213 0.000 0.892 92 L HN 0.323 nan 8.230 nan 0.000 0.431 93 G N -1.203 107.501 108.800 -0.159 0.000 2.476 93 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.218 93 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.218 93 G C 1.505 176.334 174.900 -0.119 0.000 1.164 93 G CA 0.938 45.957 45.100 -0.134 0.000 0.768 93 G HN 0.551 nan 8.290 nan 0.000 0.560 94 E N 0.371 120.505 120.200 -0.110 0.000 2.058 94 E HA -0.076 4.273 4.350 -0.001 0.000 0.194 94 E C 2.792 179.337 176.600 -0.091 0.000 0.997 94 E CA 1.167 57.514 56.400 -0.088 0.000 0.801 94 E CB -0.272 29.384 29.700 -0.073 0.000 0.746 94 E HN 0.358 nan 8.360 nan 0.000 0.450 95 A N 0.282 123.037 122.820 -0.109 0.000 1.873 95 A HA -0.110 4.209 4.320 -0.001 0.000 0.215 95 A C 2.399 179.919 177.584 -0.107 0.000 1.186 95 A CA 1.393 53.369 52.037 -0.102 0.000 0.616 95 A CB -0.578 18.352 19.000 -0.117 0.000 0.823 95 A HN 0.231 nan 8.150 nan 0.000 0.442 96 V N 0.642 120.476 119.914 -0.133 0.000 2.427 96 V HA -0.211 3.908 4.120 -0.001 0.000 0.248 96 V C 2.101 178.118 176.094 -0.128 0.000 1.051 96 V CA 2.182 64.396 62.300 -0.144 0.000 1.048 96 V CB -0.866 30.846 31.823 -0.185 0.000 0.666 96 V HN 0.472 nan 8.190 nan 0.000 0.456 97 D N 0.014 120.344 120.400 -0.116 0.000 2.133 97 D HA -0.161 4.478 4.640 -0.001 0.000 0.195 97 D C 2.406 178.658 176.300 -0.081 0.000 0.997 97 D CA 1.198 55.139 54.000 -0.098 0.000 0.840 97 D CB -0.261 40.488 40.800 -0.085 0.000 0.947 97 D HN 0.352 nan 8.370 nan 0.000 0.452 98 R N 0.016 120.472 120.500 -0.073 0.000 2.081 98 R HA -0.025 4.314 4.340 -0.001 0.000 0.235 98 R C 2.495 178.761 176.300 -0.056 0.000 1.131 98 R CA 0.584 56.650 56.100 -0.057 0.000 0.960 98 R CB -0.404 29.867 30.300 -0.049 0.000 0.856 98 R HN 0.271 nan 8.270 nan 0.000 0.436 99 L N 0.685 121.869 121.223 -0.066 0.000 2.131 99 L HA -0.161 4.178 4.340 -0.001 0.000 0.210 99 L C 2.097 178.926 176.870 -0.068 0.000 1.092 99 L CA 1.064 55.868 54.840 -0.060 0.000 0.759 99 L CB -0.336 41.682 42.059 -0.067 0.000 0.903 99 L HN 0.227 nan 8.230 nan 0.000 0.435 100 L N -0.454 120.716 121.223 -0.087 0.000 2.610 100 L HA -0.072 4.267 4.340 -0.001 0.000 0.232 100 L C 2.124 178.953 176.870 -0.068 0.000 1.149 100 L CA 0.045 54.830 54.840 -0.092 0.000 0.872 100 L CB -0.112 41.876 42.059 -0.118 0.000 0.992 100 L HN 0.285 nan 8.230 nan 0.000 0.447 101 L N -0.701 120.490 121.223 -0.054 0.000 2.291 101 L HA -0.107 4.232 4.340 -0.001 0.000 0.214 101 L C 2.052 178.903 176.870 -0.031 0.000 1.120 101 L CA 1.035 55.851 54.840 -0.040 0.000 0.799 101 L CB -0.098 41.941 42.059 -0.034 0.000 0.925 101 L HN 0.338 nan 8.230 nan 0.000 0.446 102 E N -1.925 118.256 120.200 -0.030 0.000 2.465 102 E HA 0.121 4.470 4.350 -0.001 0.000 0.209 102 E C 0.367 176.957 176.600 -0.017 0.000 0.951 102 E CA 0.167 56.556 56.400 -0.018 0.000 0.997 102 E CB 1.250 30.943 29.700 -0.012 0.000 1.025 102 E HN 0.104 nan 8.360 nan 0.000 0.500 103 T N -0.109 114.426 114.554 -0.031 0.000 2.894 103 T HA 0.130 4.479 4.350 -0.001 0.000 0.309 103 T C -0.550 174.111 174.700 -0.064 0.000 1.208 103 T CA -0.630 61.450 62.100 -0.033 0.000 1.016 103 T CB 1.737 70.592 68.868 -0.022 0.000 1.192 103 T HN -0.267 nan 8.240 nan 0.000 0.491 104 D N 1.640 121.997 120.400 -0.071 0.000 2.183 104 D HA 0.069 4.708 4.640 -0.001 0.000 0.203 104 D C 0.518 176.724 176.300 -0.158 0.000 0.969 104 D CA 1.359 55.297 54.000 -0.105 0.000 0.842 104 D CB 0.426 41.155 40.800 -0.119 0.000 0.957 104 D HN 0.509 nan 8.370 nan 0.000 0.484 105 Q N -0.873 118.822 119.800 -0.175 0.000 2.389 105 Q HA 0.701 5.040 4.340 -0.001 0.000 0.277 105 Q C -1.324 174.459 176.000 -0.361 0.000 1.082 105 Q CA -0.759 54.850 55.803 -0.323 0.000 0.810 105 Q CB 3.135 31.659 28.738 -0.356 0.000 1.374 105 Q HN 0.008 nan 8.270 nan 0.000 0.422 106 A N 1.487 123.938 122.820 -0.615 0.000 2.423 106 A HA 0.946 5.266 4.320 -0.001 0.000 0.304 106 A C -1.602 175.408 177.584 -0.957 0.000 1.104 106 A CA -0.422 51.275 52.037 -0.567 0.000 0.757 106 A CB 1.102 19.883 19.000 -0.364 0.000 1.313 106 A HN 0.570 nan 8.150 nan 0.000 0.423 107 F N -0.505 119.071 119.950 -0.623 0.000 2.613 107 F HA 0.761 5.287 4.527 -0.002 0.000 0.310 107 F C 0.690 176.247 175.800 -0.406 0.000 1.085 107 F CA 0.494 58.157 58.000 -0.561 0.000 0.945 107 F CB 2.754 41.370 39.000 -0.640 0.000 1.298 107 F HN 1.183 nan 8.300 nan 0.000 0.455 108 G N 0.342 109.123 108.800 -0.031 0.000 2.404 108 G HA2 0.294 4.253 3.960 -0.001 0.000 0.253 108 G HA3 0.294 4.253 3.960 -0.001 0.000 0.253 108 G C -2.460 172.459 174.900 0.032 0.000 1.253 108 G CA -0.758 44.376 45.100 0.057 0.000 0.917 108 G HN 0.895 nan 8.290 nan 0.000 0.480 109 W N -0.314 120.927 121.300 -0.098 0.000 2.950 109 W HA 0.765 5.425 4.660 -0.001 0.000 0.340 109 W C -1.636 174.795 176.519 -0.147 0.000 1.139 109 W CA -1.376 55.890 57.345 -0.133 0.000 1.188 109 W CB 1.429 30.826 29.460 -0.104 0.000 1.426 109 W HN 0.539 nan 8.180 nan 0.000 0.531 110 V N 2.711 122.724 119.914 0.165 0.000 2.444 110 V HA 0.540 4.659 4.120 -0.001 0.000 0.294 110 V C 0.592 176.913 176.094 0.377 0.000 1.022 110 V CA -0.745 61.534 62.300 -0.035 0.000 0.850 110 V CB 0.714 32.227 31.823 -0.518 0.000 0.992 110 V HN 0.769 nan 8.190 nan 0.000 0.426 111 A N 3.515 126.620 122.820 0.474 0.000 2.406 111 A HA 0.415 4.734 4.320 -0.001 0.000 0.243 111 A C 0.849 178.807 177.584 0.624 0.000 1.082 111 A CA -0.038 52.352 52.037 0.589 0.000 0.786 111 A CB -0.024 19.328 19.000 0.587 0.000 1.029 111 A HN 0.929 nan 8.150 nan 0.000 0.495 112 F N 0.700 120.891 119.950 0.403 0.000 2.120 112 F HA -0.210 4.316 4.527 -0.001 0.000 0.300 112 F C 1.775 177.848 175.800 0.456 0.000 1.095 112 F CA 2.627 60.837 58.000 0.350 0.000 1.249 112 F CB -0.119 38.998 39.000 0.195 0.000 0.995 112 F HN 0.731 nan 8.300 nan 0.000 0.480 113 E N -0.314 120.171 120.200 0.475 0.000 2.333 113 E HA -0.189 4.160 4.350 -0.001 0.000 0.198 113 E C 1.809 178.644 176.600 0.391 0.000 1.007 113 E CA 0.978 57.606 56.400 0.380 0.000 0.845 113 E CB -0.737 29.210 29.700 0.413 0.000 0.766 113 E HN 0.600 nan 8.360 nan 0.000 0.507 114 F N -0.018 120.069 119.950 0.229 0.000 2.269 114 F HA -0.051 4.475 4.527 -0.002 0.000 0.301 114 F C 1.954 177.854 175.800 0.168 0.000 1.082 114 F CA 1.503 59.556 58.000 0.088 0.000 1.360 114 F CB -0.076 38.839 39.000 -0.142 0.000 1.041 114 F HN 0.051 nan 8.300 nan 0.000 0.512 115 G N -0.434 108.594 108.800 0.379 0.000 2.920 115 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.208 115 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.208 115 G C 1.517 176.536 174.900 0.199 0.000 1.159 115 G CA 0.717 46.015 45.100 0.330 0.000 0.784 115 G HN 0.450 nan 8.290 nan 0.000 0.535 116 V N -1.958 118.076 119.914 0.200 0.000 2.788 116 V HA -0.004 4.115 4.120 -0.001 0.000 0.251 116 V C 2.234 178.398 176.094 0.116 0.000 1.068 116 V CA 1.534 63.937 62.300 0.172 0.000 1.090 116 V CB -0.872 31.078 31.823 0.211 0.000 0.710 116 V HN 0.299 nan 8.190 nan 0.000 0.467 117 H N 1.202 120.273 119.070 0.001 0.000 2.387 117 H HA -0.051 4.504 4.556 -0.002 0.000 0.299 117 H C 2.378 177.628 175.328 -0.130 0.000 1.099 117 H CA 2.130 58.151 56.048 -0.045 0.000 1.315 117 H CB -0.429 29.289 29.762 -0.072 0.000 1.380 117 H HN 0.425 nan 8.280 nan 0.000 0.513 118 R N 0.088 120.514 120.500 -0.123 0.000 2.200 118 R HA -0.146 4.193 4.340 -0.001 0.000 0.234 118 R C 0.453 176.324 176.300 -0.715 0.000 1.127 118 R CA 1.185 57.019 56.100 -0.443 0.000 0.989 118 R CB -0.039 29.892 30.300 -0.615 0.000 0.869 118 R HN 0.360 nan 8.270 nan 0.000 0.459 119 Y N -0.793 119.509 120.300 0.003 0.000 2.571 119 Y HA 0.329 4.878 4.550 -0.001 0.000 0.275 119 Y C 1.262 177.158 175.900 -0.006 0.000 1.179 119 Y CA 0.021 58.116 58.100 -0.008 0.000 1.242 119 Y CB 0.698 39.141 38.460 -0.028 0.000 1.126 119 Y HN 0.230 nan 8.280 nan 0.000 0.524 120 G N 0.842 109.651 108.800 0.014 0.000 2.233 120 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.270 120 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.270 120 G C 0.675 175.589 174.900 0.023 0.000 1.011 120 G CA 0.810 45.916 45.100 0.009 0.000 0.762 120 G HN 0.524 nan 8.290 nan 0.000 0.511 121 L N 0.403 121.655 121.223 0.049 0.000 2.607 121 L HA 0.108 4.447 4.340 -0.001 0.000 0.228 121 L C 2.763 179.649 176.870 0.026 0.000 1.123 121 L CA 0.658 55.571 54.840 0.121 0.000 0.890 121 L CB 0.061 42.288 42.059 0.281 0.000 1.103 121 L HN 0.508 nan 8.230 nan 0.000 0.468 122 Q N 0.099 119.796 119.800 -0.172 0.000 2.291 122 Q HA -0.247 4.092 4.340 -0.001 0.000 0.206 122 Q C 1.345 177.239 176.000 -0.178 0.000 0.976 122 Q CA 1.365 56.980 55.803 -0.312 0.000 0.875 122 Q CB -0.357 28.021 28.738 -0.599 0.000 0.927 122 Q HN 0.575 nan 8.270 nan 0.000 0.450 123 Q N 0.049 119.778 119.800 -0.119 0.000 2.364 123 Q HA 0.008 4.347 4.340 -0.001 0.000 0.207 123 Q C 1.761 177.689 176.000 -0.119 0.000 0.970 123 Q CA 0.547 56.288 55.803 -0.104 0.000 0.888 123 Q CB 0.110 28.805 28.738 -0.072 0.000 0.951 123 Q HN 0.305 nan 8.270 nan 0.000 0.469 124 R N 0.215 120.625 120.500 -0.149 0.000 2.276 124 R HA 0.087 4.426 4.340 -0.001 0.000 0.203 124 R C 0.522 176.602 176.300 -0.367 0.000 1.017 124 R CA 0.308 56.249 56.100 -0.265 0.000 1.010 124 R CB -0.248 29.825 30.300 -0.380 0.000 0.900 124 R HN 0.264 nan 8.270 nan 0.000 0.469 125 L N 1.389 122.450 121.223 -0.270 0.000 2.426 125 L HA 0.177 4.516 4.340 -0.001 0.000 0.271 125 L C 0.769 177.564 176.870 -0.124 0.000 1.169 125 L CA -0.491 54.238 54.840 -0.186 0.000 0.836 125 L CB 0.537 42.555 42.059 -0.069 0.000 1.112 125 L HN 0.012 nan 8.230 nan 0.000 0.465 126 A N 5.044 127.812 122.820 -0.088 0.000 2.466 126 A HA 0.348 4.667 4.320 -0.001 0.000 0.238 126 A C -2.178 175.367 177.584 -0.064 0.000 1.074 126 A CA -0.954 51.048 52.037 -0.058 0.000 0.774 126 A CB -0.566 18.423 19.000 -0.018 0.000 1.015 126 A HN 0.484 nan 8.150 nan 0.000 0.498 127 P HA 0.079 nan 4.420 nan 0.000 0.266 127 P C -0.290 176.887 177.300 -0.205 0.000 1.193 127 P CA 0.737 63.664 63.100 -0.287 0.000 0.770 127 P CB 0.053 31.511 31.700 -0.403 0.000 0.836 128 H N -1.732 117.373 119.070 0.058 0.000 2.899 128 H HA -0.126 4.429 4.556 -0.002 0.000 0.282 128 H C -0.399 174.991 175.328 0.104 0.000 1.198 128 H CA 0.802 56.897 56.048 0.078 0.000 1.140 128 H CB -2.712 27.087 29.762 0.062 0.000 1.317 128 H HN 0.344 nan 8.280 nan 0.000 0.375 129 T N 3.506 118.161 114.554 0.167 0.000 2.799 129 T HA 0.229 4.578 4.350 -0.001 0.000 0.296 129 T C -2.005 172.832 174.700 0.229 0.000 0.947 129 T CA -0.841 61.372 62.100 0.189 0.000 1.141 129 T CB 1.226 70.190 68.868 0.161 0.000 0.891 129 T HN 0.080 nan 8.240 nan 0.000 0.533 130 P HA 0.152 nan 4.420 nan 0.000 0.264 130 P C 0.238 177.699 177.300 0.269 0.000 1.193 130 P CA 0.064 63.316 63.100 0.253 0.000 0.763 130 P CB 0.573 32.505 31.700 0.385 0.000 0.810 131 L N 1.626 122.945 121.223 0.160 0.000 2.547 131 L HA 0.498 4.837 4.340 -0.001 0.000 0.218 131 L C 0.855 177.719 176.870 -0.011 0.000 1.048 131 L CA 0.311 55.259 54.840 0.180 0.000 0.859 131 L CB 0.078 42.249 42.059 0.186 0.000 1.128 131 L HN 0.365 nan 8.230 nan 0.000 0.483 132 A N 0.050 122.706 122.820 -0.274 0.000 2.605 132 A HA 0.772 5.091 4.320 -0.001 0.000 0.294 132 A C -1.411 175.739 177.584 -0.722 0.000 1.062 132 A CA -0.591 51.109 52.037 -0.561 0.000 0.682 132 A CB 1.609 20.332 19.000 -0.461 0.000 1.278 132 A HN -0.013 nan 8.150 nan 0.000 0.410 133 R N 0.829 120.732 120.500 -0.995 0.000 2.500 133 R HA 0.589 4.928 4.340 -0.001 0.000 0.299 133 R C -1.739 174.289 176.300 -0.452 0.000 1.038 133 R CA -0.420 55.239 56.100 -0.736 0.000 0.903 133 R CB 1.413 31.151 30.300 -0.937 0.000 1.177 133 R HN 0.551 nan 8.270 nan 0.000 0.455 134 V N 4.861 124.637 119.914 -0.229 0.000 2.623 134 V HA 0.592 4.712 4.120 -0.001 0.000 0.304 134 V C -0.612 175.506 176.094 0.039 0.000 1.054 134 V CA -0.985 61.242 62.300 -0.122 0.000 0.882 134 V CB 1.933 33.620 31.823 -0.227 0.000 1.002 134 V HN 0.634 nan 8.190 nan 0.000 0.424 135 F N 1.880 121.781 119.950 -0.081 0.000 2.593 135 F HA 0.895 5.421 4.527 -0.002 0.000 0.320 135 F C 0.174 175.985 175.800 0.019 0.000 1.060 135 F CA -0.888 57.092 58.000 -0.033 0.000 0.940 135 F CB 1.906 40.900 39.000 -0.011 0.000 1.268 135 F HN 0.416 nan 8.300 nan 0.000 0.475 136 S N 2.202 117.948 115.700 0.076 0.000 2.499 136 S HA 0.618 5.087 4.470 -0.001 0.000 0.279 136 S C -2.801 171.902 174.600 0.172 0.000 1.219 136 S CA -1.404 56.798 58.200 0.004 0.000 1.062 136 S CB 1.010 64.213 63.200 0.006 0.000 0.978 136 S HN 0.599 nan 8.310 nan 0.000 0.489 137 P HA 0.368 nan 4.420 nan 0.000 0.278 137 P C 0.044 177.432 177.300 0.147 0.000 1.258 137 P CA -0.807 62.436 63.100 0.238 0.000 0.811 137 P CB 1.043 32.811 31.700 0.114 0.000 1.063 138 R N -0.456 120.130 120.500 0.142 0.000 2.119 138 R HA 0.125 4.464 4.340 -0.001 0.000 0.222 138 R C 0.331 176.642 176.300 0.018 0.000 1.088 138 R CA 1.109 57.256 56.100 0.078 0.000 0.984 138 R CB -0.089 30.264 30.300 0.088 0.000 0.884 138 R HN 0.526 nan 8.270 nan 0.000 0.447 139 T N 0.269 114.818 114.554 -0.008 0.000 2.916 139 T HA 0.458 4.807 4.350 -0.001 0.000 0.305 139 T C -0.948 173.744 174.700 -0.013 0.000 1.119 139 T CA -0.762 61.289 62.100 -0.082 0.000 1.008 139 T CB 2.674 71.303 68.868 -0.397 0.000 1.129 139 T HN 0.010 nan 8.240 nan 0.000 0.480 140 R N 1.383 121.911 120.500 0.047 0.000 2.621 140 R HA 0.701 5.040 4.340 -0.001 0.000 0.292 140 R C -1.107 175.305 176.300 0.186 0.000 0.969 140 R CA -0.726 55.413 56.100 0.066 0.000 0.887 140 R CB 1.887 32.187 30.300 0.000 0.000 1.180 140 R HN 0.498 nan 8.270 nan 0.000 0.450 141 I N 3.646 124.298 120.570 0.137 0.000 2.410 141 I HA 0.359 4.528 4.170 -0.001 0.000 0.286 141 I C -0.372 175.854 176.117 0.182 0.000 1.009 141 I CA -0.405 60.994 61.300 0.165 0.000 1.111 141 I CB 1.743 39.803 38.000 0.099 0.000 1.262 141 I HN 0.391 nan 8.210 nan 0.000 0.443 142 M N 6.346 126.095 119.600 0.248 0.000 2.205 142 M HA 0.541 5.020 4.480 -0.001 0.000 0.344 142 M C -0.979 175.445 176.300 0.207 0.000 1.085 142 M CA -0.817 54.627 55.300 0.241 0.000 1.001 142 M CB 2.197 34.972 32.600 0.293 0.000 1.626 142 M HN 0.209 nan 8.290 nan 0.000 0.442 143 V N 2.536 122.588 119.914 0.231 0.000 2.448 143 V HA 0.616 4.735 4.120 -0.001 0.000 0.295 143 V C -0.108 176.146 176.094 0.267 0.000 1.025 143 V CA -0.442 61.969 62.300 0.185 0.000 0.859 143 V CB 1.619 33.507 31.823 0.108 0.000 0.988 143 V HN 1.037 nan 8.190 nan 0.000 0.431 144 S N 2.420 118.233 115.700 0.188 0.000 2.810 144 S HA 0.542 5.011 4.470 -0.001 0.000 0.315 144 S C 0.685 175.352 174.600 0.111 0.000 1.138 144 S CA -0.533 57.795 58.200 0.214 0.000 0.889 144 S CB 1.905 65.215 63.200 0.183 0.000 1.236 144 S HN 0.552 nan 8.310 nan 0.000 0.548 145 E N 0.451 120.718 120.200 0.112 0.000 2.153 145 E HA -0.018 4.331 4.350 -0.001 0.000 0.194 145 E C 2.130 178.752 176.600 0.036 0.000 0.988 145 E CA 1.987 58.417 56.400 0.051 0.000 0.811 145 E CB -0.410 29.325 29.700 0.059 0.000 0.746 145 E HN 0.711 nan 8.360 nan 0.000 0.466 146 K N 0.741 121.171 120.400 0.050 0.000 2.166 146 K HA 0.082 4.401 4.320 -0.001 0.000 0.201 146 K C 0.810 177.429 176.600 0.031 0.000 1.052 146 K CA 1.459 57.768 56.287 0.036 0.000 0.969 146 K CB -0.254 32.270 32.500 0.040 0.000 0.761 146 K HN 0.490 nan 8.250 nan 0.000 0.459 147 E N -1.582 118.644 120.200 0.044 0.000 2.430 147 E HA 0.616 4.965 4.350 -0.001 0.000 0.279 147 E C -1.449 175.181 176.600 0.049 0.000 1.003 147 E CA -0.991 55.431 56.400 0.036 0.000 0.801 147 E CB 1.575 31.296 29.700 0.034 0.000 1.313 147 E HN 0.077 nan 8.360 nan 0.000 0.459 148 I N 1.256 121.846 120.570 0.034 0.000 2.339 148 I HA 0.407 4.576 4.170 -0.001 0.000 0.290 148 I C -0.119 176.016 176.117 0.030 0.000 0.994 148 I CA -0.606 60.720 61.300 0.044 0.000 1.191 148 I CB 1.214 39.229 38.000 0.026 0.000 1.343 148 I HN 0.265 nan 8.210 nan 0.000 0.458 149 R N 5.930 126.466 120.500 0.059 0.000 2.514 149 R HA 0.713 5.052 4.340 -0.001 0.000 0.301 149 R C -1.464 174.816 176.300 -0.033 0.000 0.962 149 R CA -0.999 55.086 56.100 -0.024 0.000 0.882 149 R CB 1.839 32.144 30.300 0.009 0.000 1.143 149 R HN 0.354 nan 8.270 nan 0.000 0.452 150 L N 3.757 124.854 121.223 -0.212 0.000 2.325 150 L HA 0.450 4.789 4.340 -0.001 0.000 0.281 150 L C -1.040 175.662 176.870 -0.281 0.000 1.004 150 L CA -0.025 54.745 54.840 -0.118 0.000 0.823 150 L CB 1.005 43.021 42.059 -0.072 0.000 1.236 150 L HN 0.476 nan 8.230 nan 0.000 0.415 151 F N 2.339 122.281 119.950 -0.013 0.000 2.427 151 F HA 0.354 4.881 4.527 -0.002 0.000 0.348 151 F C 0.541 176.318 175.800 -0.039 0.000 1.125 151 F CA -0.797 57.196 58.000 -0.012 0.000 0.989 151 F CB 1.308 40.311 39.000 0.005 0.000 1.165 151 F HN 0.578 nan 8.300 nan 0.000 0.442 152 D N 1.644 122.105 120.400 0.102 0.000 2.751 152 D HA -0.200 4.439 4.640 -0.001 0.000 0.233 152 D C 0.003 176.281 176.300 -0.036 0.000 1.149 152 D CA 0.643 54.665 54.000 0.037 0.000 0.682 152 D CB -0.549 40.283 40.800 0.053 0.000 1.068 152 D HN 0.539 nan 8.370 nan 0.000 0.429 153 A N 0.698 123.488 122.820 -0.051 0.000 2.347 153 A HA 0.570 4.889 4.320 -0.001 0.000 0.287 153 A C 1.140 178.717 177.584 -0.010 0.000 1.199 153 A CA 0.437 52.415 52.037 -0.098 0.000 0.851 153 A CB 0.883 19.856 19.000 -0.046 0.000 1.118 153 A HN 0.241 nan 8.150 nan 0.000 0.525 154 G N 0.850 109.670 108.800 0.033 0.000 2.563 154 G HA2 0.386 4.345 3.960 -0.001 0.000 0.283 154 G HA3 0.386 4.345 3.960 -0.001 0.000 0.283 154 G C 0.965 175.932 174.900 0.111 0.000 1.309 154 G CA -0.185 44.967 45.100 0.085 0.000 1.022 154 G HN 0.799 nan 8.290 nan 0.000 0.501 155 I N -0.781 119.836 120.570 0.077 0.000 2.226 155 I HA -0.118 4.051 4.170 -0.001 0.000 0.245 155 I C 2.916 179.067 176.117 0.057 0.000 1.100 155 I CA 1.128 62.461 61.300 0.055 0.000 1.374 155 I CB 0.059 38.079 38.000 0.033 0.000 1.057 155 I HN 0.480 nan 8.210 nan 0.000 0.413 156 R N -0.826 119.709 120.500 0.059 0.000 2.092 156 R HA -0.163 4.176 4.340 -0.001 0.000 0.231 156 R C 2.184 178.470 176.300 -0.024 0.000 1.119 156 R CA 1.505 57.609 56.100 0.006 0.000 0.970 156 R CB -0.459 29.827 30.300 -0.023 0.000 0.864 156 R HN 0.481 nan 8.270 nan 0.000 0.440 157 H N -0.022 119.053 119.070 0.008 0.000 2.293 157 H HA -0.030 4.525 4.556 -0.001 0.000 0.300 157 H C 2.192 177.522 175.328 0.002 0.000 1.082 157 H CA 1.724 57.776 56.048 0.007 0.000 1.308 157 H CB 0.066 29.838 29.762 0.016 0.000 1.375 157 H HN 0.052 nan 8.280 nan 0.000 0.495 158 R N 0.572 121.155 120.500 0.139 0.000 2.091 158 R HA -0.153 4.186 4.340 -0.001 0.000 0.238 158 R C 2.190 178.512 176.300 0.035 0.000 1.136 158 R CA 1.713 57.853 56.100 0.068 0.000 0.959 158 R CB -0.181 30.146 30.300 0.046 0.000 0.856 158 R HN 0.537 nan 8.270 nan 0.000 0.437 159 E N 0.446 120.661 120.200 0.025 0.000 2.077 159 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 159 E C 2.075 178.673 176.600 -0.003 0.000 0.989 159 E CA 1.209 57.613 56.400 0.007 0.000 0.800 159 E CB -0.133 29.568 29.700 0.001 0.000 0.746 159 E HN 0.378 nan 8.360 nan 0.000 0.452 160 A N 1.044 123.857 122.820 -0.012 0.000 1.902 160 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 160 A C 2.167 179.743 177.584 -0.012 0.000 1.181 160 A CA 1.099 53.119 52.037 -0.027 0.000 0.623 160 A CB -0.544 18.416 19.000 -0.066 0.000 0.818 160 A HN 0.140 nan 8.150 nan 0.000 0.443 161 I N -0.264 120.311 120.570 0.008 0.000 2.226 161 I HA -0.220 3.949 4.170 -0.001 0.000 0.245 161 I C 1.863 177.980 176.117 0.002 0.000 1.100 161 I CA 1.405 62.712 61.300 0.011 0.000 1.374 161 I CB -0.301 37.716 38.000 0.030 0.000 1.057 161 I HN 0.227 nan 8.210 nan 0.000 0.413 162 D N 0.558 120.960 120.400 0.002 0.000 2.117 162 D HA -0.111 4.528 4.640 -0.001 0.000 0.198 162 D C 2.335 178.632 176.300 -0.006 0.000 0.982 162 D CA 0.927 54.925 54.000 -0.002 0.000 0.828 162 D CB -0.177 40.622 40.800 -0.000 0.000 0.967 162 D HN 0.208 nan 8.370 nan 0.000 0.464 163 R N 0.084 120.579 120.500 -0.008 0.000 2.096 163 R HA -0.171 4.168 4.340 -0.001 0.000 0.240 163 R C 2.308 178.601 176.300 -0.012 0.000 1.139 163 R CA 0.859 56.953 56.100 -0.010 0.000 0.952 163 R CB -0.540 29.752 30.300 -0.013 0.000 0.854 163 R HN 0.186 nan 8.270 nan 0.000 0.436 164 L N 0.981 122.195 121.223 -0.014 0.000 2.056 164 L HA -0.097 4.242 4.340 -0.001 0.000 0.207 164 L C 2.027 178.888 176.870 -0.016 0.000 1.078 164 L CA 1.515 56.346 54.840 -0.016 0.000 0.749 164 L CB -0.299 41.748 42.059 -0.020 0.000 0.901 164 L HN 0.106 nan 8.230 nan 0.000 0.433 165 L N -0.394 120.820 121.223 -0.013 0.000 2.191 165 L HA -0.155 4.184 4.340 -0.001 0.000 0.212 165 L C 2.635 179.497 176.870 -0.013 0.000 1.103 165 L CA 0.949 55.781 54.840 -0.014 0.000 0.769 165 L CB -0.821 41.231 42.059 -0.011 0.000 0.908 165 L HN 0.413 nan 8.230 nan 0.000 0.438 166 A N -0.123 122.691 122.820 -0.011 0.000 1.930 166 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 166 A C 2.403 179.981 177.584 -0.011 0.000 1.175 166 A CA 2.217 54.248 52.037 -0.010 0.000 0.627 166 A CB -0.678 18.317 19.000 -0.009 0.000 0.815 166 A HN 0.493 nan 8.150 nan 0.000 0.443 167 T N -4.662 109.885 114.554 -0.012 0.000 3.015 167 T HA 0.458 4.807 4.350 -0.001 0.000 0.250 167 T C 1.103 175.795 174.700 -0.013 0.000 1.057 167 T CA 1.186 63.279 62.100 -0.011 0.000 1.066 167 T CB -0.146 68.716 68.868 -0.010 0.000 0.959 167 T HN 1.984 nan 8.240 nan 0.000 0.488 168 G N 1.214 110.005 108.800 -0.016 0.000 2.710 168 G HA2 0.024 3.983 3.960 -0.001 0.000 0.668 168 G HA3 0.024 3.983 3.960 -0.001 0.000 0.668 168 G C -0.375 174.513 174.900 -0.020 0.000 1.320 168 G CA -0.466 44.622 45.100 -0.019 0.000 0.860 168 G HN 1.417 nan 8.290 nan 0.000 0.538 169 V N -1.426 118.474 119.914 -0.024 0.000 2.583 169 V HA 0.731 4.850 4.120 -0.001 0.000 0.287 169 V C 1.082 177.167 176.094 -0.016 0.000 1.051 169 V CA -0.624 61.662 62.300 -0.023 0.000 1.010 169 V CB 1.098 32.901 31.823 -0.033 0.000 0.988 169 V HN 0.915 nan 8.190 nan 0.000 0.478 170 R N 2.638 123.133 120.500 -0.009 0.000 2.698 170 R HA 0.151 4.490 4.340 -0.001 0.000 0.266 170 R C 0.271 176.568 176.300 -0.004 0.000 1.026 170 R CA -0.120 55.978 56.100 -0.004 0.000 1.102 170 R CB 0.301 30.603 30.300 0.004 0.000 0.978 170 R HN 0.769 nan 8.270 nan 0.000 0.436 171 E N 1.485 121.684 120.200 -0.003 0.000 2.392 171 E HA 0.026 4.375 4.350 -0.001 0.000 0.264 171 E C -0.376 176.228 176.600 0.005 0.000 1.024 171 E CA -0.053 56.346 56.400 -0.002 0.000 0.903 171 E CB 1.069 30.768 29.700 -0.002 0.000 0.963 171 E HN 0.201 nan 8.360 nan 0.000 0.432 172 V N 5.512 125.431 119.914 0.008 0.000 2.488 172 V HA 0.096 4.215 4.120 -0.001 0.000 0.277 172 V C -1.690 174.415 176.094 0.018 0.000 1.046 172 V CA -1.292 61.019 62.300 0.018 0.000 0.986 172 V CB 0.436 32.272 31.823 0.022 0.000 0.989 172 V HN 0.581 nan 8.190 nan 0.000 0.475 173 P HA 0.121 nan 4.420 nan 0.000 0.272 173 P C -0.295 177.012 177.300 0.012 0.000 1.254 173 P CA -0.475 62.632 63.100 0.011 0.000 0.795 173 P CB 0.338 32.044 31.700 0.010 0.000 1.022 174 Q N 0.088 119.887 119.800 -0.001 0.000 2.392 174 Q HA 0.166 4.505 4.340 -0.001 0.000 0.262 174 Q C 0.352 176.345 176.000 -0.011 0.000 1.003 174 Q CA 0.213 56.012 55.803 -0.006 0.000 0.888 174 Q CB 0.355 29.081 28.738 -0.021 0.000 1.260 174 Q HN 0.577 nan 8.270 nan 0.000 0.435 175 S N 1.868 117.563 115.700 -0.007 0.000 2.603 175 S HA 0.473 4.942 4.470 -0.001 0.000 0.268 175 S C -0.007 174.562 174.600 -0.051 0.000 1.317 175 S CA -0.773 57.423 58.200 -0.007 0.000 1.012 175 S CB 1.541 64.741 63.200 0.001 0.000 0.926 175 S HN 0.573 nan 8.310 nan 0.000 0.539 176 R N 0.777 121.243 120.500 -0.056 0.000 2.437 176 R HA 0.447 4.786 4.340 -0.001 0.000 0.310 176 R C -0.182 176.119 176.300 0.002 0.000 0.955 176 R CA -0.384 55.614 56.100 -0.170 0.000 0.851 176 R CB 1.358 31.317 30.300 -0.569 0.000 1.161 176 R HN 0.937 nan 8.270 nan 0.000 0.446 177 S N 2.021 117.711 115.700 -0.017 0.000 2.645 177 S HA 0.506 4.975 4.470 -0.001 0.000 0.266 177 S C -0.310 174.365 174.600 0.125 0.000 1.258 177 S CA -0.682 57.537 58.200 0.031 0.000 0.990 177 S CB 1.901 65.088 63.200 -0.022 0.000 0.967 177 S HN 0.362 nan 8.310 nan 0.000 0.556 178 V N 0.681 120.641 119.914 0.076 0.000 2.888 178 V HA 0.444 4.563 4.120 -0.001 0.000 0.309 178 V C -1.705 174.406 176.094 0.029 0.000 1.114 178 V CA -0.745 61.607 62.300 0.086 0.000 0.940 178 V CB 2.216 34.072 31.823 0.055 0.000 1.021 178 V HN 1.080 nan 8.190 nan 0.000 0.426 179 D N 3.427 123.850 120.400 0.037 0.000 2.359 179 D HA 0.311 4.951 4.640 -0.001 0.000 0.230 179 D C 0.548 176.862 176.300 0.024 0.000 1.118 179 D CA 0.045 54.062 54.000 0.028 0.000 0.844 179 D CB 1.762 42.585 40.800 0.038 0.000 1.059 179 D HN 0.446 nan 8.370 nan 0.000 0.493 180 V N 1.780 121.703 119.914 0.014 0.000 3.542 180 V HA 0.125 4.244 4.120 -0.001 0.000 0.296 180 V C 1.400 177.540 176.094 0.077 0.000 1.364 180 V CA 0.700 63.002 62.300 0.003 0.000 1.118 180 V CB -0.230 31.555 31.823 -0.062 0.000 0.972 180 V HN 0.445 nan 8.190 nan 0.000 0.430 181 S N 0.732 116.505 115.700 0.122 0.000 2.496 181 S HA -0.041 4.428 4.470 -0.001 0.000 0.224 181 S C 0.884 175.641 174.600 0.261 0.000 0.996 181 S CA 0.452 58.782 58.200 0.218 0.000 0.927 181 S CB -0.532 62.740 63.200 0.121 0.000 0.774 181 S HN 0.866 nan 8.310 nan 0.000 0.524 182 D N 0.684 121.193 120.400 0.182 0.000 2.466 182 D HA 0.325 4.964 4.640 -0.001 0.000 0.262 182 D C -0.940 175.503 176.300 0.238 0.000 1.177 182 D CA -0.389 53.699 54.000 0.147 0.000 1.035 182 D CB 0.976 41.820 40.800 0.074 0.000 1.105 182 D HN 0.080 nan 8.370 nan 0.000 0.551 183 D N -0.609 119.892 120.400 0.169 0.000 2.968 183 D HA 0.195 4.834 4.640 -0.001 0.000 0.301 183 D C -1.830 174.551 176.300 0.136 0.000 1.226 183 D CA -1.084 53.059 54.000 0.238 0.000 0.746 183 D CB 0.698 41.649 40.800 0.251 0.000 1.278 183 D HN 0.126 nan 8.370 nan 0.000 0.544 184 P HA -0.022 nan 4.420 nan 0.000 0.237 184 P C 0.838 178.173 177.300 0.058 0.000 1.178 184 P CA 0.445 63.581 63.100 0.060 0.000 0.766 184 P CB 0.267 31.991 31.700 0.039 0.000 0.876 185 S N -1.795 113.957 115.700 0.087 0.000 2.540 185 S HA 0.370 4.839 4.470 -0.001 0.000 0.218 185 S C 1.467 176.135 174.600 0.114 0.000 0.977 185 S CA 0.414 58.664 58.200 0.084 0.000 0.918 185 S CB -0.802 62.444 63.200 0.077 0.000 0.806 185 S HN 0.261 nan 8.310 nan 0.000 0.496 186 G N 1.093 109.977 108.800 0.139 0.000 2.160 186 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.244 186 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.244 186 G C 0.221 175.220 174.900 0.165 0.000 1.022 186 G CA 0.187 45.359 45.100 0.119 0.000 0.741 186 G HN 0.529 nan 8.290 nan 0.000 0.508 187 F N 0.977 120.999 119.950 0.119 0.000 2.063 187 F HA -0.220 4.306 4.527 -0.002 0.000 0.298 187 F C 2.742 178.628 175.800 0.144 0.000 1.105 187 F CA 2.786 60.873 58.000 0.145 0.000 1.215 187 F CB -0.182 38.947 39.000 0.215 0.000 0.972 187 F HN 0.301 nan 8.300 nan 0.000 0.483 188 R N -0.286 120.340 120.500 0.210 0.000 2.094 188 R HA -0.215 4.124 4.340 -0.001 0.000 0.239 188 R C 2.489 178.751 176.300 -0.063 0.000 1.137 188 R CA 1.624 57.748 56.100 0.040 0.000 0.943 188 R CB -0.648 29.674 30.300 0.037 0.000 0.850 188 R HN 0.255 nan 8.270 nan 0.000 0.433 189 R N 1.109 121.593 120.500 -0.027 0.000 2.112 189 R HA -0.173 4.167 4.340 -0.001 0.000 0.242 189 R C 2.171 178.432 176.300 -0.066 0.000 1.137 189 R CA 1.843 57.923 56.100 -0.033 0.000 0.944 189 R CB -0.193 30.104 30.300 -0.005 0.000 0.857 189 R HN 0.259 nan 8.270 nan 0.000 0.435 190 R N -0.425 120.017 120.500 -0.097 0.000 2.148 190 R HA -0.028 4.312 4.340 -0.001 0.000 0.223 190 R C 2.277 178.480 176.300 -0.163 0.000 1.088 190 R CA 0.903 56.941 56.100 -0.102 0.000 0.985 190 R CB -0.104 30.148 30.300 -0.080 0.000 0.880 190 R HN 0.089 nan 8.270 nan 0.000 0.451 191 V N 1.043 120.777 119.914 -0.301 0.000 2.407 191 V HA -0.250 3.869 4.120 -0.001 0.000 0.248 191 V C 2.398 178.422 176.094 -0.117 0.000 1.055 191 V CA 2.020 64.155 62.300 -0.275 0.000 1.049 191 V CB -0.555 31.043 31.823 -0.375 0.000 0.662 191 V HN 0.387 nan 8.190 nan 0.000 0.455 192 A N -0.269 122.496 122.820 -0.092 0.000 1.873 192 A HA -0.127 4.193 4.320 -0.001 0.000 0.215 192 A C 2.385 179.948 177.584 -0.036 0.000 1.186 192 A CA 1.826 53.833 52.037 -0.050 0.000 0.616 192 A CB -0.654 18.322 19.000 -0.039 0.000 0.823 192 A HN 0.312 nan 8.150 nan 0.000 0.442 193 V N 0.172 120.066 119.914 -0.033 0.000 2.282 193 V HA -0.322 3.797 4.120 -0.001 0.000 0.249 193 V C 3.077 179.171 176.094 0.000 0.000 1.057 193 V CA 2.165 64.457 62.300 -0.014 0.000 1.032 193 V CB -1.391 30.430 31.823 -0.003 0.000 0.645 193 V HN 0.624 nan 8.190 nan 0.000 0.447 194 A N -0.361 122.469 122.820 0.015 0.000 1.883 194 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 194 A C 2.405 179.996 177.584 0.013 0.000 1.186 194 A CA 2.288 54.373 52.037 0.080 0.000 0.624 194 A CB -0.793 18.264 19.000 0.095 0.000 0.822 194 A HN 0.342 nan 8.150 nan 0.000 0.444 195 V N 0.562 120.470 119.914 -0.010 0.000 2.343 195 V HA -0.249 3.870 4.120 -0.001 0.000 0.247 195 V C 2.185 178.244 176.094 -0.058 0.000 1.051 195 V CA 2.334 64.618 62.300 -0.026 0.000 1.036 195 V CB -0.901 30.915 31.823 -0.013 0.000 0.654 195 V HN 0.500 nan 8.190 nan 0.000 0.451 196 D N -0.024 120.345 120.400 -0.052 0.000 2.133 196 D HA -0.179 4.461 4.640 -0.001 0.000 0.195 196 D C 2.248 178.483 176.300 -0.108 0.000 0.997 196 D CA 1.388 55.350 54.000 -0.063 0.000 0.840 196 D CB -0.168 40.607 40.800 -0.042 0.000 0.947 196 D HN 0.575 nan 8.370 nan 0.000 0.452 197 E N -0.191 119.922 120.200 -0.145 0.000 2.152 197 E HA -0.056 4.293 4.350 -0.001 0.000 0.192 197 E C 2.288 178.616 176.600 -0.452 0.000 0.983 197 E CA 0.340 56.584 56.400 -0.260 0.000 0.818 197 E CB 0.069 29.637 29.700 -0.221 0.000 0.758 197 E HN 0.341 nan 8.360 nan 0.000 0.467 198 I N 1.106 121.416 120.570 -0.433 0.000 2.353 198 I HA -0.183 3.986 4.170 -0.001 0.000 0.248 198 I C 2.495 178.494 176.117 -0.197 0.000 1.119 198 I CA 0.625 61.691 61.300 -0.390 0.000 1.417 198 I CB -0.177 37.709 38.000 -0.190 0.000 1.078 198 I HN 0.048 nan 8.210 nan 0.000 0.421 199 A N 0.659 123.396 122.820 -0.138 0.000 1.969 199 A HA -0.027 4.292 4.320 -0.001 0.000 0.218 199 A C 2.275 179.811 177.584 -0.080 0.000 1.169 199 A CA 1.618 53.608 52.037 -0.078 0.000 0.635 199 A CB -0.512 18.453 19.000 -0.057 0.000 0.810 199 A HN 0.406 nan 8.150 nan 0.000 0.445 200 A N -1.846 120.907 122.820 -0.112 0.000 2.307 200 A HA 0.443 4.762 4.320 -0.001 0.000 0.218 200 A C 1.619 179.138 177.584 -0.107 0.000 1.228 200 A CA 1.032 53.013 52.037 -0.093 0.000 0.857 200 A CB -0.894 18.053 19.000 -0.087 0.000 0.897 200 A HN 1.827 nan 8.150 nan 0.000 0.495 201 G N -0.350 108.366 108.800 -0.141 0.000 2.143 201 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.249 201 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.249 201 G C 1.033 175.816 174.900 -0.195 0.000 0.981 201 G CA 0.520 45.537 45.100 -0.138 0.000 0.665 201 G HN 0.535 nan 8.290 nan 0.000 0.528 202 R N -1.052 119.277 120.500 -0.284 0.000 2.115 202 R HA 0.217 4.556 4.340 -0.001 0.000 0.226 202 R C 1.065 177.260 176.300 -0.176 0.000 1.100 202 R CA 1.845 57.804 56.100 -0.235 0.000 0.980 202 R CB -0.088 30.061 30.300 -0.250 0.000 0.875 202 R HN 0.857 nan 8.270 nan 0.000 0.445 203 Y N -5.499 114.696 120.300 -0.174 0.000 2.895 203 Y HA 0.326 4.875 4.550 -0.002 0.000 0.339 203 Y C 0.540 176.275 175.900 -0.275 0.000 1.363 203 Y CA -1.195 56.742 58.100 -0.271 0.000 1.085 203 Y CB 0.389 38.756 38.460 -0.155 0.000 1.500 203 Y HN -0.246 nan 8.280 nan 0.000 0.442 204 H N -0.054 119.138 119.070 0.204 0.000 2.557 204 H HA 0.351 4.906 4.556 -0.002 0.000 0.281 204 H C -0.401 175.016 175.328 0.148 0.000 0.990 204 H CA 0.584 56.698 56.048 0.110 0.000 1.278 204 H CB 0.951 30.754 29.762 0.069 0.000 1.451 204 H HN 0.518 nan 8.280 nan 0.000 0.516 205 K N 1.006 121.592 120.400 0.309 0.000 2.565 205 K HA 0.414 4.734 4.320 -0.001 0.000 0.251 205 K C -1.886 174.781 176.600 0.112 0.000 0.956 205 K CA -0.410 55.995 56.287 0.196 0.000 0.809 205 K CB 2.870 35.444 32.500 0.123 0.000 1.267 205 K HN -0.078 nan 8.250 nan 0.000 0.438 206 V N 5.247 125.212 119.914 0.086 0.000 2.769 206 V HA 0.575 4.694 4.120 -0.001 0.000 0.312 206 V C -1.229 174.876 176.094 0.017 0.000 1.061 206 V CA -0.945 61.321 62.300 -0.057 0.000 0.931 206 V CB 1.750 33.449 31.823 -0.208 0.000 1.010 206 V HN 0.708 nan 8.190 nan 0.000 0.433 207 I N 6.477 127.051 120.570 0.006 0.000 2.315 207 I HA 0.468 4.637 4.170 -0.001 0.000 0.291 207 I C 0.026 176.187 176.117 0.074 0.000 1.006 207 I CA 0.274 61.610 61.300 0.061 0.000 1.265 207 I CB 1.207 39.242 38.000 0.057 0.000 1.387 207 I HN 0.426 nan 8.210 nan 0.000 0.475 208 L N 5.271 126.584 121.223 0.150 0.000 2.313 208 L HA 0.817 5.156 4.340 -0.001 0.000 0.268 208 L C 0.099 177.224 176.870 0.424 0.000 1.010 208 L CA -0.537 54.427 54.840 0.207 0.000 0.814 208 L CB 2.033 44.152 42.059 0.100 0.000 1.304 208 L HN 0.732 nan 8.230 nan 0.000 0.441 209 S N 0.571 116.499 115.700 0.381 0.000 2.671 209 S HA 0.817 5.286 4.470 -0.001 0.000 0.277 209 S C -1.237 173.418 174.600 0.091 0.000 1.165 209 S CA -1.019 57.277 58.200 0.160 0.000 0.822 209 S CB 2.580 65.804 63.200 0.039 0.000 1.150 209 S HN 0.769 nan 8.310 nan 0.000 0.479 210 R N -0.358 120.039 120.500 -0.171 0.000 2.584 210 R HA 0.728 5.067 4.340 -0.001 0.000 0.276 210 R C -1.406 174.798 176.300 -0.160 0.000 1.046 210 R CA -0.746 55.279 56.100 -0.124 0.000 0.906 210 R CB 0.627 30.815 30.300 -0.187 0.000 1.215 210 R HN 0.645 nan 8.270 nan 0.000 0.449 211 C N 2.091 121.341 119.300 -0.083 0.000 2.539 211 C HA 0.530 4.989 4.460 -0.001 0.000 0.392 211 C C 0.125 175.112 174.990 -0.004 0.000 1.269 211 C CA -0.252 58.759 59.018 -0.012 0.000 2.250 211 C CB 0.894 28.593 27.740 -0.068 0.000 2.584 211 C HN 0.541 nan 8.230 nan 0.000 0.589 212 V N 4.194 124.143 119.914 0.058 0.000 2.443 212 V HA 0.258 4.377 4.120 -0.001 0.000 0.293 212 V C -0.224 175.924 176.094 0.091 0.000 1.021 212 V CA -0.475 61.844 62.300 0.032 0.000 0.848 212 V CB 1.368 33.181 31.823 -0.017 0.000 0.998 212 V HN 0.803 nan 8.190 nan 0.000 0.424 213 E N 3.223 123.457 120.200 0.058 0.000 2.384 213 E HA 0.215 4.564 4.350 -0.001 0.000 0.266 213 E C -0.442 176.164 176.600 0.009 0.000 1.012 213 E CA -0.178 56.264 56.400 0.069 0.000 0.901 213 E CB 1.863 31.578 29.700 0.025 0.000 0.967 213 E HN 0.370 nan 8.360 nan 0.000 0.435 214 V N 5.579 125.477 119.914 -0.027 0.000 2.348 214 V HA 0.096 4.215 4.120 -0.001 0.000 0.270 214 V C -1.472 174.484 176.094 -0.229 0.000 1.037 214 V CA -1.229 60.929 62.300 -0.237 0.000 0.872 214 V CB 1.111 32.705 31.823 -0.382 0.000 1.002 214 V HN 0.538 nan 8.190 nan 0.000 0.464 215 P HA 0.049 nan 4.420 nan 0.000 0.237 215 P C -0.102 177.264 177.300 0.110 0.000 1.178 215 P CA 0.598 63.712 63.100 0.023 0.000 0.766 215 P CB -0.057 31.712 31.700 0.114 0.000 0.876 216 F N -1.845 118.130 119.950 0.042 0.000 2.561 216 F HA 0.823 5.349 4.527 -0.002 0.000 0.321 216 F C -0.029 175.803 175.800 0.053 0.000 1.065 216 F CA -2.367 55.656 58.000 0.039 0.000 0.934 216 F CB 0.609 39.622 39.000 0.021 0.000 1.215 216 F HN -0.254 nan 8.300 nan 0.000 0.471 217 A N 3.227 126.193 122.820 0.243 0.000 2.450 217 A HA 0.534 4.853 4.320 -0.001 0.000 0.255 217 A C -0.113 177.602 177.584 0.219 0.000 1.096 217 A CA -0.480 51.664 52.037 0.178 0.000 0.778 217 A CB -0.380 18.718 19.000 0.164 0.000 1.031 217 A HN 0.913 nan 8.150 nan 0.000 0.494 218 I N -0.438 120.212 120.570 0.132 0.000 2.707 218 I HA 0.497 4.666 4.170 -0.001 0.000 0.309 218 I C -0.395 175.797 176.117 0.125 0.000 1.001 218 I CA -0.903 60.445 61.300 0.080 0.000 1.129 218 I CB 1.795 39.693 38.000 -0.170 0.000 1.308 218 I HN 0.510 nan 8.210 nan 0.000 0.466 219 D N 3.288 123.743 120.400 0.092 0.000 2.347 219 D HA 0.193 4.832 4.640 -0.001 0.000 0.235 219 D C 0.382 176.747 176.300 0.108 0.000 1.149 219 D CA -0.182 53.904 54.000 0.143 0.000 0.850 219 D CB 0.830 41.697 40.800 0.111 0.000 1.061 219 D HN 0.560 nan 8.370 nan 0.000 0.487 220 F N 3.977 123.970 119.950 0.071 0.000 2.113 220 F HA -0.017 4.510 4.527 -0.001 0.000 0.297 220 F C -0.671 175.199 175.800 0.116 0.000 1.103 220 F CA 0.798 58.838 58.000 0.067 0.000 1.248 220 F CB -1.274 37.749 39.000 0.038 0.000 0.999 220 F HN 0.436 nan 8.300 nan 0.000 0.475 221 P HA -0.142 nan 4.420 nan 0.000 0.217 221 P C 1.858 179.284 177.300 0.210 0.000 1.150 221 P CA 1.495 64.733 63.100 0.231 0.000 0.832 221 P CB -0.038 31.756 31.700 0.157 0.000 0.787 222 L N -1.659 119.651 121.223 0.146 0.000 2.109 222 L HA -0.108 4.231 4.340 -0.001 0.000 0.207 222 L C 2.278 179.203 176.870 0.092 0.000 1.086 222 L CA 1.502 56.404 54.840 0.104 0.000 0.760 222 L CB -1.481 40.623 42.059 0.075 0.000 0.910 222 L HN 0.006 nan 8.230 nan 0.000 0.437 223 T N -1.056 113.540 114.554 0.070 0.000 2.746 223 T HA -0.270 4.080 4.350 -0.001 0.000 0.267 223 T C 1.684 176.440 174.700 0.094 0.000 1.039 223 T CA 1.585 63.709 62.100 0.040 0.000 1.142 223 T CB -0.420 68.393 68.868 -0.092 0.000 0.866 223 T HN 0.311 nan 8.240 nan 0.000 0.444 224 Y N 2.284 122.610 120.300 0.042 0.000 2.081 224 Y HA -0.234 4.315 4.550 -0.001 0.000 0.280 224 Y C 2.531 178.524 175.900 0.154 0.000 1.163 224 Y CA 1.486 59.648 58.100 0.103 0.000 1.135 224 Y CB -0.252 38.248 38.460 0.066 0.000 0.970 224 Y HN 0.011 nan 8.280 nan 0.000 0.498 225 R N -0.625 119.911 120.500 0.060 0.000 2.091 225 R HA -0.182 4.157 4.340 -0.001 0.000 0.238 225 R C 2.146 178.370 176.300 -0.126 0.000 1.136 225 R CA 1.599 57.674 56.100 -0.043 0.000 0.959 225 R CB -0.652 29.678 30.300 0.051 0.000 0.856 225 R HN 0.376 nan 8.270 nan 0.000 0.437 226 L N 0.113 121.294 121.223 -0.068 0.000 2.044 226 L HA 0.034 4.374 4.340 -0.001 0.000 0.205 226 L C 2.155 178.856 176.870 -0.281 0.000 1.075 226 L CA 2.015 56.809 54.840 -0.076 0.000 0.747 226 L CB -1.003 41.075 42.059 0.031 0.000 0.903 226 L HN 0.169 nan 8.230 nan 0.000 0.435 227 G N -1.043 107.578 108.800 -0.299 0.000 2.422 227 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.218 227 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.218 227 G C 1.749 176.128 174.900 -0.867 0.000 1.146 227 G CA 0.805 45.516 45.100 -0.649 0.000 0.769 227 G HN 0.321 nan 8.290 nan 0.000 0.547 228 R N 0.781 120.916 120.500 -0.609 0.000 2.115 228 R HA 0.100 4.439 4.340 -0.001 0.000 0.230 228 R C 2.518 178.595 176.300 -0.371 0.000 1.111 228 R CA 0.932 56.736 56.100 -0.493 0.000 0.976 228 R CB -0.541 29.539 30.300 -0.368 0.000 0.870 228 R HN 0.276 nan 8.270 nan 0.000 0.445 229 R N -1.089 119.196 120.500 -0.358 0.000 2.159 229 R HA -0.128 4.212 4.340 -0.001 0.000 0.237 229 R C 0.742 176.695 176.300 -0.578 0.000 1.131 229 R CA 1.641 57.500 56.100 -0.402 0.000 0.982 229 R CB -0.230 29.825 30.300 -0.408 0.000 0.868 229 R HN 0.467 nan 8.270 nan 0.000 0.453 230 H N -1.178 117.600 119.070 -0.486 0.000 2.528 230 H HA 0.307 4.862 4.556 -0.001 0.000 0.282 230 H C -0.436 174.674 175.328 -0.363 0.000 1.097 230 H CA -0.294 55.491 56.048 -0.437 0.000 1.121 230 H CB 0.366 29.703 29.762 -0.707 0.000 1.590 230 H HN -0.002 nan 8.280 nan 0.000 0.553 231 N N 0.016 118.534 118.700 -0.304 0.000 2.357 231 N HA 0.202 4.941 4.740 -0.001 0.000 0.284 231 N C -0.683 174.744 175.510 -0.138 0.000 1.236 231 N CA -0.225 52.675 53.050 -0.249 0.000 0.774 231 N CB 2.390 40.597 38.487 -0.466 0.000 1.534 231 N HN 0.136 nan 8.380 nan 0.000 0.478 232 T N -1.735 112.781 114.554 -0.063 0.000 3.466 232 T HA 0.385 4.734 4.350 -0.001 0.000 0.297 232 T C -2.670 172.042 174.700 0.020 0.000 1.640 232 T CA -1.314 60.776 62.100 -0.016 0.000 1.631 232 T CB 0.588 69.448 68.868 -0.014 0.000 0.928 232 T HN 0.206 nan 8.240 nan 0.000 0.688 233 P HA 0.343 nan 4.420 nan 0.000 0.278 233 P C 1.074 178.396 177.300 0.037 0.000 1.258 233 P CA -0.580 62.565 63.100 0.076 0.000 0.811 233 P CB 1.550 33.341 31.700 0.152 0.000 1.063 234 V N -0.144 119.791 119.914 0.036 0.000 2.591 234 V HA -0.008 4.111 4.120 -0.001 0.000 0.249 234 V C 1.229 177.293 176.094 -0.050 0.000 1.053 234 V CA 1.553 63.855 62.300 0.003 0.000 1.068 234 V CB -0.748 31.090 31.823 0.024 0.000 0.689 234 V HN 0.554 nan 8.190 nan 0.000 0.462 235 R N -0.466 120.014 120.500 -0.034 0.000 2.817 235 R HA 0.683 5.022 4.340 -0.001 0.000 0.268 235 R C -0.791 175.490 176.300 -0.032 0.000 1.027 235 R CA 0.011 56.024 56.100 -0.145 0.000 0.928 235 R CB 2.088 32.286 30.300 -0.170 0.000 1.228 235 R HN 0.356 nan 8.270 nan 0.000 0.469 236 S N -0.230 115.414 115.700 -0.093 0.000 2.638 236 S HA 0.873 5.342 4.470 -0.001 0.000 0.274 236 S C -1.036 173.667 174.600 0.171 0.000 1.157 236 S CA -0.848 57.418 58.200 0.110 0.000 0.826 236 S CB 2.052 65.424 63.200 0.287 0.000 1.139 236 S HN 0.563 nan 8.310 nan 0.000 0.474 237 F N -0.805 119.204 119.950 0.097 0.000 2.713 237 F HA 0.892 5.418 4.527 -0.001 0.000 0.311 237 F C -2.243 173.542 175.800 -0.025 0.000 1.141 237 F CA -1.210 56.833 58.000 0.071 0.000 0.939 237 F CB 1.268 40.381 39.000 0.188 0.000 1.325 237 F HN 0.778 nan 8.300 nan 0.000 0.453 238 L N 3.965 125.224 121.223 0.059 0.000 2.543 238 L HA 0.821 5.160 4.340 -0.001 0.000 0.265 238 L C -2.078 174.908 176.870 0.193 0.000 0.945 238 L CA -0.569 54.261 54.840 -0.016 0.000 0.869 238 L CB 1.964 43.862 42.059 -0.268 0.000 1.294 238 L HN 1.013 nan 8.230 nan 0.000 0.405 239 L N 1.772 123.041 121.223 0.077 0.000 2.469 239 L HA 0.789 5.128 4.340 -0.001 0.000 0.256 239 L C -1.235 175.321 176.870 -0.523 0.000 1.006 239 L CA -0.504 54.194 54.840 -0.236 0.000 0.832 239 L CB 2.025 44.093 42.059 0.015 0.000 1.421 239 L HN 0.751 nan 8.230 nan 0.000 0.410 240 Q N 1.989 121.255 119.800 -0.890 0.000 2.337 240 Q HA 0.704 5.044 4.340 -0.001 0.000 0.260 240 Q C -2.248 173.496 176.000 -0.428 0.000 0.982 240 Q CA -0.577 54.870 55.803 -0.594 0.000 0.734 240 Q CB 1.972 30.387 28.738 -0.538 0.000 1.272 240 Q HN 0.828 nan 8.270 nan 0.000 0.461 241 L N 3.281 124.358 121.223 -0.243 0.000 2.580 241 L HA 0.582 4.921 4.340 -0.001 0.000 0.266 241 L C 0.259 177.091 176.870 -0.063 0.000 0.955 241 L CA 0.979 55.711 54.840 -0.179 0.000 0.886 241 L CB 1.850 43.847 42.059 -0.103 0.000 1.263 241 L HN 0.710 nan 8.230 nan 0.000 0.406 242 G N 3.133 111.885 108.800 -0.080 0.000 2.249 242 G HA2 0.057 4.016 3.960 -0.001 0.000 0.273 242 G HA3 0.057 4.016 3.960 -0.001 0.000 0.273 242 G C 1.060 175.964 174.900 0.006 0.000 1.036 242 G CA 0.887 45.976 45.100 -0.018 0.000 0.824 242 G HN 2.172 nan 8.290 nan 0.000 0.504 243 G N -1.783 107.000 108.800 -0.028 0.000 2.175 243 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.244 243 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.244 243 G C 0.327 175.207 174.900 -0.034 0.000 0.982 243 G CA 0.387 45.474 45.100 -0.020 0.000 0.641 243 G HN 1.322 nan 8.290 nan 0.000 0.527 244 I N 0.981 121.519 120.570 -0.054 0.000 2.377 244 I HA 0.508 4.677 4.170 -0.001 0.000 0.293 244 I C 0.627 176.607 176.117 -0.229 0.000 0.987 244 I CA -0.864 60.375 61.300 -0.101 0.000 1.185 244 I CB 1.425 39.381 38.000 -0.074 0.000 1.341 244 I HN -0.020 nan 8.210 nan 0.000 0.455 245 R N 4.561 124.832 120.500 -0.382 0.000 2.532 245 R HA 0.881 5.220 4.340 -0.001 0.000 0.295 245 R C -0.912 175.006 176.300 -0.637 0.000 0.968 245 R CA -0.699 54.985 56.100 -0.693 0.000 0.916 245 R CB 2.141 31.660 30.300 -1.302 0.000 1.124 245 R HN 0.753 nan 8.270 nan 0.000 0.463 246 A N 2.404 125.016 122.820 -0.347 0.000 2.612 246 A HA 0.678 4.998 4.320 -0.001 0.000 0.293 246 A C -1.717 175.961 177.584 0.156 0.000 1.075 246 A CA -0.770 51.290 52.037 0.037 0.000 0.680 246 A CB 1.384 20.483 19.000 0.166 0.000 1.279 246 A HN 0.558 nan 8.150 nan 0.000 0.411 247 L N -1.606 119.562 121.223 -0.091 0.000 2.415 247 L HA 1.092 5.432 4.340 -0.001 0.000 0.256 247 L C -0.095 176.077 176.870 -1.162 0.000 1.010 247 L CA -0.062 54.385 54.840 -0.656 0.000 0.826 247 L CB 1.703 43.635 42.059 -0.211 0.000 1.405 247 L HN 1.739 nan 8.230 nan 0.000 0.410 248 G N -0.512 107.305 108.800 -1.637 0.000 2.547 248 G HA2 0.530 4.489 3.960 -0.001 0.000 0.291 248 G HA3 0.530 4.489 3.960 -0.001 0.000 0.291 248 G C -2.407 171.911 174.900 -0.970 0.000 1.471 248 G CA -0.602 43.828 45.100 -1.117 0.000 0.798 248 G HN 0.536 nan 8.290 nan 0.000 0.504 249 Y N 0.820 121.095 120.300 -0.041 0.000 2.805 249 Y HA 0.590 5.139 4.550 -0.001 0.000 0.339 249 Y C 0.788 176.738 175.900 0.084 0.000 1.012 249 Y CA -1.068 57.046 58.100 0.022 0.000 1.262 249 Y CB 1.671 40.123 38.460 -0.013 0.000 1.100 249 Y HN 0.442 nan 8.280 nan 0.000 0.559 250 S N 4.916 120.741 115.700 0.208 0.000 2.488 250 S HA 0.161 4.630 4.470 -0.001 0.000 0.278 250 S C -1.445 173.237 174.600 0.136 0.000 1.259 250 S CA -1.203 57.108 58.200 0.185 0.000 1.061 250 S CB 0.753 64.073 63.200 0.200 0.000 0.910 250 S HN 0.415 nan 8.310 nan 0.000 0.491 251 P HA 0.073 nan 4.420 nan 0.000 0.240 251 P C -0.168 177.166 177.300 0.056 0.000 1.190 251 P CA 0.610 63.765 63.100 0.091 0.000 0.781 251 P CB -0.044 31.703 31.700 0.078 0.000 0.931 252 E N -1.106 119.123 120.200 0.049 0.000 2.390 252 E HA 0.320 4.669 4.350 -0.001 0.000 0.280 252 E C -1.292 175.340 176.600 0.052 0.000 0.992 252 E CA -1.051 55.373 56.400 0.039 0.000 0.790 252 E CB 0.702 30.409 29.700 0.013 0.000 1.248 252 E HN -0.157 nan 8.360 nan 0.000 0.447 253 L N 2.595 123.850 121.223 0.053 0.000 2.360 253 L HA 0.115 4.454 4.340 -0.001 0.000 0.276 253 L C 1.331 178.233 176.870 0.054 0.000 1.121 253 L CA -0.232 54.646 54.840 0.064 0.000 0.845 253 L CB 1.433 43.528 42.059 0.059 0.000 1.143 253 L HN 0.621 nan 8.230 nan 0.000 0.452 254 V N 2.838 122.791 119.914 0.065 0.000 2.407 254 V HA 0.004 4.124 4.120 -0.001 0.000 0.245 254 V C 0.692 176.838 176.094 0.087 0.000 1.041 254 V CA 1.506 63.843 62.300 0.062 0.000 1.040 254 V CB 0.433 32.286 31.823 0.050 0.000 0.671 254 V HN 0.903 nan 8.190 nan 0.000 0.455 255 T N 0.551 115.161 114.554 0.093 0.000 3.105 255 T HA 0.734 5.083 4.350 -0.001 0.000 0.321 255 T C -0.945 173.784 174.700 0.048 0.000 1.135 255 T CA 0.210 62.353 62.100 0.072 0.000 1.053 255 T CB 1.508 70.426 68.868 0.083 0.000 1.133 255 T HN 0.502 nan 8.240 nan 0.000 0.463 256 A N 2.321 125.161 122.820 0.034 0.000 2.371 256 A HA 0.861 5.180 4.320 -0.001 0.000 0.311 256 A C -0.905 176.681 177.584 0.003 0.000 1.068 256 A CA -0.700 51.347 52.037 0.016 0.000 0.744 256 A CB 1.291 20.305 19.000 0.024 0.000 1.239 256 A HN 0.683 nan 8.150 nan 0.000 0.435 257 V N 3.481 123.385 119.914 -0.017 0.000 2.409 257 V HA 0.432 4.551 4.120 -0.001 0.000 0.291 257 V C 0.213 176.289 176.094 -0.030 0.000 1.020 257 V CA -0.667 61.619 62.300 -0.023 0.000 0.848 257 V CB 1.386 33.188 31.823 -0.035 0.000 0.990 257 V HN 0.985 nan 8.190 nan 0.000 0.430 258 R N 2.647 123.134 120.500 -0.021 0.000 2.543 258 R HA 0.573 4.912 4.340 -0.001 0.000 0.268 258 R C 1.371 177.654 176.300 -0.028 0.000 1.067 258 R CA -0.036 56.050 56.100 -0.022 0.000 1.142 258 R CB 1.041 31.334 30.300 -0.011 0.000 1.110 258 R HN 0.784 nan 8.270 nan 0.000 0.549 259 A N 1.342 124.144 122.820 -0.030 0.000 1.972 259 A HA -0.188 4.131 4.320 -0.001 0.000 0.219 259 A C 1.310 178.880 177.584 -0.024 0.000 1.169 259 A CA 1.908 53.926 52.037 -0.032 0.000 0.635 259 A CB -0.453 18.528 19.000 -0.032 0.000 0.810 259 A HN 0.839 nan 8.150 nan 0.000 0.446 260 D N -2.026 118.364 120.400 -0.017 0.000 2.349 260 D HA 0.246 4.885 4.640 -0.001 0.000 0.224 260 D C 1.162 177.455 176.300 -0.012 0.000 1.029 260 D CA 0.968 54.961 54.000 -0.012 0.000 0.879 260 D CB -0.610 40.185 40.800 -0.007 0.000 0.906 260 D HN 0.792 nan 8.370 nan 0.000 0.528 261 G N -0.599 108.192 108.800 -0.015 0.000 2.175 261 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.244 261 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.244 261 G C 0.190 175.086 174.900 -0.008 0.000 0.982 261 G CA 0.103 45.196 45.100 -0.013 0.000 0.641 261 G HN 0.386 nan 8.290 nan 0.000 0.527 262 V N 1.116 121.027 119.914 -0.005 0.000 2.572 262 V HA 0.437 4.556 4.120 -0.001 0.000 0.291 262 V C 0.849 176.944 176.094 0.002 0.000 1.039 262 V CA -0.028 62.272 62.300 0.001 0.000 1.055 262 V CB 1.567 33.393 31.823 0.004 0.000 0.969 262 V HN 0.328 nan 8.190 nan 0.000 0.482 263 V N 6.750 126.668 119.914 0.007 0.000 2.555 263 V HA 0.583 4.702 4.120 -0.001 0.000 0.302 263 V C -0.217 175.888 176.094 0.020 0.000 1.038 263 V CA -0.523 61.784 62.300 0.011 0.000 0.887 263 V CB 1.837 33.667 31.823 0.012 0.000 0.991 263 V HN 0.662 nan 8.190 nan 0.000 0.434 264 I N 2.814 123.399 120.570 0.024 0.000 2.582 264 I HA 0.649 4.819 4.170 -0.001 0.000 0.292 264 I C -0.274 175.867 176.117 0.039 0.000 1.066 264 I CA -0.254 61.065 61.300 0.032 0.000 1.053 264 I CB 2.493 40.512 38.000 0.031 0.000 1.241 264 I HN 0.658 nan 8.210 nan 0.000 0.421 265 T N 3.449 118.029 114.554 0.043 0.000 2.896 265 T HA 0.402 4.752 4.350 -0.001 0.000 0.297 265 T C -1.227 173.502 174.700 0.048 0.000 1.108 265 T CA -0.393 61.735 62.100 0.047 0.000 1.004 265 T CB 1.807 70.704 68.868 0.048 0.000 1.159 265 T HN 0.750 nan 8.240 nan 0.000 0.499 266 E N 3.220 123.447 120.200 0.045 0.000 3.626 266 E HA 0.294 4.643 4.350 -0.001 0.000 0.245 266 E C -2.619 174.010 176.600 0.048 0.000 1.236 266 E CA -2.075 54.356 56.400 0.052 0.000 1.072 266 E CB 1.020 30.750 29.700 0.049 0.000 1.309 266 E HN 0.383 nan 8.360 nan 0.000 0.400 267 P HA 0.031 nan 4.420 nan 0.000 0.267 267 P C -0.726 176.634 177.300 0.100 0.000 1.209 267 P CA -0.166 62.953 63.100 0.031 0.000 0.763 267 P CB 0.672 32.359 31.700 -0.022 0.000 0.816 268 L N 3.826 125.079 121.223 0.050 0.000 2.313 268 L HA 0.727 5.067 4.340 -0.001 0.000 0.283 268 L C 0.242 177.138 176.870 0.042 0.000 1.013 268 L CA -0.247 54.627 54.840 0.057 0.000 0.816 268 L CB 1.313 43.321 42.059 -0.085 0.000 1.236 268 L HN 0.504 nan 8.230 nan 0.000 0.419 269 A N 2.457 125.401 122.820 0.207 0.000 2.491 269 A HA 0.818 5.138 4.320 -0.001 0.000 0.293 269 A C -0.267 177.451 177.584 0.223 0.000 1.047 269 A CA -0.009 52.141 52.037 0.187 0.000 0.735 269 A CB 1.389 20.484 19.000 0.159 0.000 1.281 269 A HN 1.228 nan 8.150 nan 0.000 0.398 270 G N 1.134 110.037 108.800 0.172 0.000 3.233 270 G HA2 0.486 4.445 3.960 -0.001 0.000 0.686 270 G HA3 0.486 4.445 3.960 -0.001 0.000 0.686 270 G C -0.706 174.301 174.900 0.178 0.000 1.153 270 G CA -0.214 44.967 45.100 0.134 0.000 0.853 270 G HN 1.535 nan 8.290 nan 0.000 0.582 271 T N 3.383 118.013 114.554 0.127 0.000 2.952 271 T HA 0.818 5.167 4.350 -0.001 0.000 0.305 271 T C -0.152 174.544 174.700 -0.008 0.000 1.064 271 T CA -0.924 61.217 62.100 0.068 0.000 1.008 271 T CB 2.036 70.989 68.868 0.141 0.000 1.078 271 T HN 0.700 nan 8.240 nan 0.000 0.459 272 R N 0.776 121.228 120.500 -0.079 0.000 2.867 272 R HA 0.831 5.170 4.340 -0.001 0.000 0.268 272 R C -0.347 175.896 176.300 -0.096 0.000 1.014 272 R CA -0.951 55.112 56.100 -0.061 0.000 0.946 272 R CB 1.808 32.079 30.300 -0.048 0.000 1.208 272 R HN 0.780 nan 8.270 nan 0.000 0.477 273 A N 1.206 123.991 122.820 -0.058 0.000 2.425 273 A HA 0.421 4.740 4.320 -0.001 0.000 0.242 273 A C -0.500 177.048 177.584 -0.061 0.000 1.077 273 A CA 0.054 52.058 52.037 -0.056 0.000 0.781 273 A CB 0.302 19.284 19.000 -0.029 0.000 1.020 273 A HN 0.460 nan 8.150 nan 0.000 0.494 274 L N 0.129 121.319 121.223 -0.056 0.000 2.359 274 L HA 0.741 5.080 4.340 -0.001 0.000 0.256 274 L C 0.790 177.645 176.870 -0.024 0.000 1.026 274 L CA 0.993 55.806 54.840 -0.045 0.000 0.828 274 L CB 1.945 43.968 42.059 -0.060 0.000 1.406 274 L HN 1.699 nan 8.230 nan 0.000 0.413 275 G N 1.636 110.428 108.800 -0.014 0.000 2.132 275 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.234 275 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.234 275 G C 0.622 175.522 174.900 0.002 0.000 0.989 275 G CA 0.483 45.584 45.100 0.002 0.000 0.676 275 G HN 0.587 nan 8.290 nan 0.000 0.522 276 R N 0.265 120.761 120.500 -0.006 0.000 2.480 276 R HA 0.483 4.822 4.340 -0.001 0.000 0.277 276 R C 1.353 177.650 176.300 -0.004 0.000 1.008 276 R CA 0.685 56.782 56.100 -0.005 0.000 1.090 276 R CB 0.148 30.443 30.300 -0.008 0.000 1.234 276 R HN 1.509 nan 8.270 nan 0.000 0.549 277 G N 0.847 109.645 108.800 -0.003 0.000 2.730 277 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.686 277 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.686 277 G C -2.083 172.812 174.900 -0.007 0.000 1.343 277 G CA -1.083 44.014 45.100 -0.004 0.000 0.826 277 G HN -0.044 nan 8.290 nan 0.000 0.582 278 P HA -0.146 nan 4.420 nan 0.000 0.215 278 P C 2.276 179.570 177.300 -0.009 0.000 1.163 278 P CA 3.344 66.438 63.100 -0.009 0.000 0.894 278 P CB -0.032 31.664 31.700 -0.008 0.000 0.791 279 A N -0.942 121.873 122.820 -0.007 0.000 1.872 279 A HA -0.128 4.191 4.320 -0.001 0.000 0.214 279 A C 2.280 179.860 177.584 -0.008 0.000 1.187 279 A CA 1.361 53.394 52.037 -0.007 0.000 0.614 279 A CB -1.468 17.528 19.000 -0.005 0.000 0.826 279 A HN 0.075 nan 8.150 nan 0.000 0.442 280 I N 0.018 120.583 120.570 -0.008 0.000 2.179 280 I HA -0.234 3.935 4.170 -0.001 0.000 0.242 280 I C 1.808 177.918 176.117 -0.012 0.000 1.088 280 I CA 1.620 62.915 61.300 -0.009 0.000 1.357 280 I CB -0.750 37.246 38.000 -0.008 0.000 1.051 280 I HN 0.239 nan 8.210 nan 0.000 0.409 281 D N 0.640 121.031 120.400 -0.014 0.000 2.149 281 D HA -0.213 4.426 4.640 -0.001 0.000 0.198 281 D C 2.195 178.483 176.300 -0.021 0.000 0.990 281 D CA 1.160 55.148 54.000 -0.020 0.000 0.839 281 D CB -0.254 40.534 40.800 -0.020 0.000 0.948 281 D HN 0.145 nan 8.370 nan 0.000 0.460 282 R N 0.626 121.116 120.500 -0.016 0.000 2.075 282 R HA 0.019 4.359 4.340 -0.001 0.000 0.232 282 R C 2.171 178.462 176.300 -0.015 0.000 1.126 282 R CA 0.919 57.010 56.100 -0.016 0.000 0.963 282 R CB -0.748 29.545 30.300 -0.012 0.000 0.858 282 R HN 0.183 nan 8.270 nan 0.000 0.435 283 L N 0.010 121.225 121.223 -0.012 0.000 2.093 283 L HA -0.009 4.331 4.340 -0.001 0.000 0.208 283 L C 2.504 179.366 176.870 -0.013 0.000 1.085 283 L CA 1.344 56.178 54.840 -0.010 0.000 0.755 283 L CB -0.619 41.436 42.059 -0.007 0.000 0.904 283 L HN 0.310 nan 8.230 nan 0.000 0.435 284 A N -0.088 122.722 122.820 -0.016 0.000 1.933 284 A HA -0.230 4.089 4.320 -0.001 0.000 0.218 284 A C 2.465 180.033 177.584 -0.027 0.000 1.175 284 A CA 1.610 53.635 52.037 -0.020 0.000 0.628 284 A CB -0.555 18.430 19.000 -0.025 0.000 0.814 284 A HN 0.343 nan 8.150 nan 0.000 0.444 285 R N -0.341 120.142 120.500 -0.029 0.000 2.075 285 R HA -0.155 4.184 4.340 -0.001 0.000 0.232 285 R C 1.258 177.541 176.300 -0.028 0.000 1.126 285 R CA 1.790 57.870 56.100 -0.033 0.000 0.963 285 R CB -0.315 29.966 30.300 -0.031 0.000 0.858 285 R HN 0.432 nan 8.270 nan 0.000 0.435 286 D N 0.340 120.728 120.400 -0.020 0.000 2.144 286 D HA -0.156 4.483 4.640 -0.001 0.000 0.200 286 D C 1.431 177.723 176.300 -0.014 0.000 0.978 286 D CA 1.312 55.303 54.000 -0.016 0.000 0.833 286 D CB -0.406 40.388 40.800 -0.010 0.000 0.961 286 D HN 0.302 nan 8.370 nan 0.000 0.470 287 D N -0.219 120.173 120.400 -0.013 0.000 2.097 287 D HA -0.132 4.507 4.640 -0.001 0.000 0.195 287 D C 1.992 178.285 176.300 -0.012 0.000 0.989 287 D CA 0.382 54.376 54.000 -0.009 0.000 0.827 287 D CB -0.139 40.658 40.800 -0.006 0.000 0.966 287 D HN -0.013 nan 8.370 nan 0.000 0.456 288 L N 1.208 122.418 121.223 -0.021 0.000 1.997 288 L HA -0.172 4.168 4.340 -0.001 0.000 0.216 288 L C 1.767 178.616 176.870 -0.035 0.000 1.074 288 L CA 1.949 56.772 54.840 -0.028 0.000 0.763 288 L CB -0.751 41.282 42.059 -0.044 0.000 0.890 288 L HN 0.145 nan 8.230 nan 0.000 0.434 289 E N -1.332 118.844 120.200 -0.039 0.000 2.427 289 E HA -0.068 4.281 4.350 -0.001 0.000 0.196 289 E C 1.681 178.265 176.600 -0.026 0.000 1.028 289 E CA 0.893 57.265 56.400 -0.047 0.000 0.864 289 E CB -0.010 29.663 29.700 -0.045 0.000 0.813 289 E HN 0.711 nan 8.360 nan 0.000 0.514 290 S N -0.464 115.228 115.700 -0.014 0.000 2.578 290 S HA 0.039 4.509 4.470 -0.001 0.000 0.228 290 S C 0.336 174.939 174.600 0.005 0.000 1.022 290 S CA -0.546 57.653 58.200 -0.002 0.000 0.967 290 S CB -0.033 63.167 63.200 0.000 0.000 0.914 290 S HN -0.003 nan 8.310 nan 0.000 0.515 291 N N 1.510 120.212 118.700 0.003 0.000 2.430 291 N HA 0.350 5.090 4.740 -0.001 0.000 0.265 291 N C 0.881 176.403 175.510 0.020 0.000 1.100 291 N CA 0.046 53.103 53.050 0.012 0.000 0.961 291 N CB 0.985 39.480 38.487 0.012 0.000 1.075 291 N HN 0.044 nan 8.380 nan 0.000 0.478 292 S N 3.038 118.752 115.700 0.023 0.000 2.370 292 S HA -0.159 4.310 4.470 -0.001 0.000 0.226 292 S C 1.429 176.050 174.600 0.035 0.000 1.033 292 S CA 1.188 59.406 58.200 0.029 0.000 1.011 292 S CB -0.092 63.123 63.200 0.026 0.000 0.852 292 S HN 0.632 nan 8.310 nan 0.000 0.457 293 K N 0.727 121.149 120.400 0.036 0.000 2.057 293 K HA -0.068 4.251 4.320 -0.001 0.000 0.207 293 K C 2.072 178.704 176.600 0.054 0.000 1.049 293 K CA 1.062 57.376 56.287 0.045 0.000 0.931 293 K CB -0.131 32.397 32.500 0.046 0.000 0.714 293 K HN 0.283 nan 8.250 nan 0.000 0.440 294 E N 1.052 121.282 120.200 0.049 0.000 2.072 294 E HA -0.111 4.238 4.350 -0.001 0.000 0.191 294 E C 2.123 178.764 176.600 0.069 0.000 0.985 294 E CA 0.892 57.326 56.400 0.057 0.000 0.801 294 E CB -0.267 29.454 29.700 0.035 0.000 0.750 294 E HN 0.347 nan 8.360 nan 0.000 0.452 295 I N 0.867 121.467 120.570 0.051 0.000 2.179 295 I HA -0.239 3.930 4.170 -0.001 0.000 0.242 295 I C 2.396 178.570 176.117 0.094 0.000 1.088 295 I CA 0.814 62.152 61.300 0.064 0.000 1.357 295 I CB -0.320 37.707 38.000 0.044 0.000 1.051 295 I HN -0.070 nan 8.210 nan 0.000 0.409 296 V N 0.448 120.405 119.914 0.072 0.000 2.295 296 V HA -0.277 3.842 4.120 -0.001 0.000 0.246 296 V C 2.433 178.567 176.094 0.067 0.000 1.049 296 V CA 1.812 64.150 62.300 0.063 0.000 1.024 296 V CB -0.716 31.133 31.823 0.045 0.000 0.648 296 V HN 0.418 nan 8.190 nan 0.000 0.447 297 E N -0.417 119.830 120.200 0.078 0.000 2.049 297 E HA -0.312 4.037 4.350 -0.001 0.000 0.198 297 E C 2.225 178.873 176.600 0.080 0.000 1.007 297 E CA 2.108 58.557 56.400 0.080 0.000 0.809 297 E CB -0.231 29.527 29.700 0.096 0.000 0.749 297 E HN 0.742 nan 8.360 nan 0.000 0.450 298 H N 0.071 119.153 119.070 0.020 0.000 2.321 298 H HA -0.046 4.509 4.556 -0.001 0.000 0.300 298 H C 1.851 177.201 175.328 0.035 0.000 1.087 298 H CA 1.989 58.041 56.048 0.006 0.000 1.319 298 H CB -0.232 29.505 29.762 -0.042 0.000 1.379 298 H HN 0.173 nan 8.280 nan 0.000 0.501 299 A N 1.075 123.931 122.820 0.060 0.000 1.883 299 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 299 A C 2.529 180.122 177.584 0.014 0.000 1.186 299 A CA 1.985 54.072 52.037 0.083 0.000 0.624 299 A CB -1.138 17.944 19.000 0.137 0.000 0.822 299 A HN 0.685 nan 8.150 nan 0.000 0.444 300 I N -2.596 117.977 120.570 0.004 0.000 2.361 300 I HA -0.160 4.009 4.170 -0.001 0.000 0.251 300 I C 2.146 178.249 176.117 -0.023 0.000 1.133 300 I CA 1.939 63.236 61.300 -0.006 0.000 1.413 300 I CB -0.591 37.408 38.000 -0.001 0.000 1.073 300 I HN 0.123 nan 8.210 nan 0.000 0.424 301 S N 1.536 117.198 115.700 -0.063 0.000 2.356 301 S HA -0.089 4.380 4.470 -0.001 0.000 0.223 301 S C 2.119 176.656 174.600 -0.105 0.000 1.032 301 S CA 1.559 59.705 58.200 -0.090 0.000 1.005 301 S CB -0.500 62.627 63.200 -0.123 0.000 0.867 301 S HN 0.395 nan 8.310 nan 0.000 0.449 302 V N 2.202 122.017 119.914 -0.164 0.000 2.343 302 V HA -0.192 3.927 4.120 -0.001 0.000 0.247 302 V C 2.525 178.619 176.094 -0.001 0.000 1.051 302 V CA 1.995 64.253 62.300 -0.070 0.000 1.036 302 V CB -0.676 31.154 31.823 0.010 0.000 0.654 302 V HN 0.413 nan 8.190 nan 0.000 0.451 303 R N -0.084 120.419 120.500 0.005 0.000 2.081 303 R HA -0.175 4.165 4.340 -0.001 0.000 0.235 303 R C 2.590 178.898 176.300 0.013 0.000 1.131 303 R CA 1.888 57.995 56.100 0.011 0.000 0.960 303 R CB -0.460 29.846 30.300 0.010 0.000 0.856 303 R HN 0.458 nan 8.270 nan 0.000 0.436 304 S N -0.251 115.454 115.700 0.010 0.000 2.356 304 S HA -0.114 4.356 4.470 -0.001 0.000 0.223 304 S C 1.911 176.527 174.600 0.025 0.000 1.032 304 S CA 1.790 60.002 58.200 0.021 0.000 1.005 304 S CB -0.207 63.001 63.200 0.014 0.000 0.867 304 S HN 0.497 nan 8.310 nan 0.000 0.449 305 S N 1.388 117.097 115.700 0.014 0.000 2.368 305 S HA 0.018 4.487 4.470 -0.001 0.000 0.225 305 S C 1.792 176.411 174.600 0.030 0.000 1.030 305 S CA 1.056 59.270 58.200 0.023 0.000 0.999 305 S CB -0.488 62.721 63.200 0.014 0.000 0.844 305 S HN 0.450 nan 8.310 nan 0.000 0.459 306 L N 1.288 122.527 121.223 0.025 0.000 2.046 306 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 306 L C 2.495 179.380 176.870 0.025 0.000 1.077 306 L CA 1.507 56.362 54.840 0.024 0.000 0.747 306 L CB -0.466 41.604 42.059 0.017 0.000 0.896 306 L HN 0.404 nan 8.230 nan 0.000 0.432 307 E N -0.248 119.968 120.200 0.027 0.000 2.058 307 E HA -0.278 4.072 4.350 -0.001 0.000 0.194 307 E C 1.967 178.590 176.600 0.039 0.000 0.997 307 E CA 1.599 58.019 56.400 0.032 0.000 0.801 307 E CB -0.033 29.689 29.700 0.038 0.000 0.746 307 E HN 0.550 nan 8.360 nan 0.000 0.450 308 E N 0.681 120.910 120.200 0.049 0.000 2.031 308 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 308 E C 2.185 178.812 176.600 0.045 0.000 0.994 308 E CA 0.842 57.277 56.400 0.059 0.000 0.800 308 E CB -0.138 29.607 29.700 0.076 0.000 0.752 308 E HN 0.215 nan 8.360 nan 0.000 0.447 309 I N 0.988 121.582 120.570 0.040 0.000 2.454 309 I HA -0.244 3.925 4.170 -0.001 0.000 0.254 309 I C 1.882 178.013 176.117 0.024 0.000 1.156 309 I CA 1.060 62.380 61.300 0.033 0.000 1.433 309 I CB 0.034 38.054 38.000 0.032 0.000 1.082 309 I HN 0.121 nan 8.210 nan 0.000 0.432 310 T N 0.267 114.834 114.554 0.022 0.000 2.833 310 T HA -0.177 4.172 4.350 -0.001 0.000 0.269 310 T C 1.369 176.076 174.700 0.013 0.000 1.054 310 T CA 1.475 63.584 62.100 0.016 0.000 1.135 310 T CB -0.332 68.544 68.868 0.014 0.000 0.869 310 T HN 0.370 nan 8.240 nan 0.000 0.466 311 D N 1.221 121.631 120.400 0.016 0.000 2.221 311 D HA -0.067 4.572 4.640 -0.001 0.000 0.204 311 D C 1.620 177.922 176.300 0.004 0.000 0.982 311 D CA 0.773 54.779 54.000 0.010 0.000 0.857 311 D CB -0.144 40.662 40.800 0.010 0.000 0.934 311 D HN 0.601 nan 8.370 nan 0.000 0.475 312 I N -3.511 117.063 120.570 0.008 0.000 4.154 312 I HA 0.405 4.575 4.170 -0.001 0.000 0.334 312 I C 0.452 176.570 176.117 0.002 0.000 1.371 312 I CA -0.769 60.532 61.300 0.003 0.000 1.110 312 I CB 0.128 38.131 38.000 0.005 0.000 1.085 312 I HN -0.204 nan 8.210 nan 0.000 0.398 313 A N 0.883 123.706 122.820 0.005 0.000 2.304 313 A HA 0.537 4.856 4.320 -0.001 0.000 0.301 313 A C 0.097 177.682 177.584 0.001 0.000 1.132 313 A CA -0.452 51.587 52.037 0.004 0.000 0.819 313 A CB 0.226 19.231 19.000 0.007 0.000 1.094 313 A HN 0.393 nan 8.150 nan 0.000 0.492 314 E N 1.593 121.793 120.200 0.000 0.000 2.529 314 E HA 0.064 4.413 4.350 -0.001 0.000 0.259 314 E C -2.207 174.393 176.600 0.000 0.000 0.966 314 E CA -0.934 55.465 56.400 -0.001 0.000 0.937 314 E CB -0.088 29.612 29.700 -0.001 0.000 0.923 314 E HN 0.328 nan 8.360 nan 0.000 0.468 315 P HA -0.056 nan 4.420 nan 0.000 0.264 315 P C 0.590 177.890 177.300 -0.000 0.000 1.193 315 P CA 0.962 64.062 63.100 -0.000 0.000 0.763 315 P CB 0.566 32.265 31.700 -0.001 0.000 0.810 316 G N 2.530 111.331 108.800 0.000 0.000 2.195 316 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.246 316 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.246 316 G C 1.066 175.967 174.900 0.001 0.000 0.984 316 G CA 0.487 45.587 45.100 -0.001 0.000 0.633 316 G HN 0.601 nan 8.290 nan 0.000 0.525 317 S N -0.254 115.447 115.700 0.002 0.000 2.524 317 S HA 0.671 5.140 4.470 -0.001 0.000 0.216 317 S C 1.313 175.916 174.600 0.006 0.000 0.987 317 S CA 1.259 59.461 58.200 0.004 0.000 0.909 317 S CB 0.382 63.584 63.200 0.004 0.000 0.781 317 S HN 1.872 nan 8.310 nan 0.000 0.521 318 A N 1.314 124.138 122.820 0.007 0.000 2.440 318 A HA 0.758 5.077 4.320 -0.001 0.000 0.251 318 A C 0.236 177.825 177.584 0.009 0.000 1.089 318 A CA 0.046 52.089 52.037 0.010 0.000 0.779 318 A CB 0.099 19.105 19.000 0.011 0.000 1.022 318 A HN 1.164 nan 8.150 nan 0.000 0.492 319 A N 1.928 124.757 122.820 0.015 0.000 2.517 319 A HA 0.572 4.891 4.320 -0.001 0.000 0.297 319 A C -0.919 176.684 177.584 0.032 0.000 1.050 319 A CA -0.456 51.590 52.037 0.016 0.000 0.694 319 A CB 1.171 20.180 19.000 0.015 0.000 1.277 319 A HN 1.207 nan 8.150 nan 0.000 0.400 320 V N 3.863 123.798 119.914 0.035 0.000 2.356 320 V HA 0.193 4.312 4.120 -0.001 0.000 0.258 320 V C 1.171 177.318 176.094 0.089 0.000 1.065 320 V CA 0.404 62.752 62.300 0.079 0.000 0.935 320 V CB 0.019 31.907 31.823 0.110 0.000 1.061 320 V HN 0.833 nan 8.190 nan 0.000 0.484 321 I N -0.589 120.033 120.570 0.088 0.000 3.883 321 I HA 0.478 4.647 4.170 -0.001 0.000 0.326 321 I C 0.167 176.338 176.117 0.090 0.000 1.283 321 I CA 0.436 61.780 61.300 0.073 0.000 1.161 321 I CB 0.445 38.476 38.000 0.052 0.000 1.012 321 I HN 0.513 nan 8.210 nan 0.000 0.421 322 D N 0.931 121.406 120.400 0.126 0.000 2.591 322 D HA 0.302 4.941 4.640 -0.001 0.000 0.222 322 D C -1.735 174.682 176.300 0.195 0.000 1.360 322 D CA -0.291 53.787 54.000 0.129 0.000 0.967 322 D CB 1.474 42.323 40.800 0.082 0.000 1.456 322 D HN 0.101 nan 8.370 nan 0.000 0.588 323 F N 5.085 125.069 119.950 0.057 0.000 2.402 323 F HA 0.444 4.970 4.527 -0.001 0.000 0.355 323 F C 0.671 176.514 175.800 0.072 0.000 1.123 323 F CA -0.692 57.359 58.000 0.085 0.000 1.021 323 F CB 0.987 40.029 39.000 0.070 0.000 1.160 323 F HN 0.520 nan 8.300 nan 0.000 0.451 324 M N 4.680 123.947 119.600 -0.554 0.000 2.297 324 M HA -0.197 4.283 4.480 -0.001 0.000 0.200 324 M C -1.079 174.985 176.300 -0.393 0.000 0.414 324 M CA 1.151 56.019 55.300 -0.719 0.000 0.449 324 M CB -1.221 30.712 32.600 -1.112 0.000 1.436 324 M HN 0.752 nan 8.290 nan 0.000 0.912 325 T N -2.102 112.310 114.554 -0.236 0.000 2.895 325 T HA 0.686 5.035 4.350 -0.001 0.000 0.283 325 T C 0.251 174.876 174.700 -0.125 0.000 1.014 325 T CA -1.046 60.974 62.100 -0.133 0.000 1.037 325 T CB 2.010 70.846 68.868 -0.054 0.000 1.006 325 T HN 0.155 nan 8.240 nan 0.000 0.468 326 V N 3.910 123.769 119.914 -0.091 0.000 2.521 326 V HA 0.290 4.409 4.120 -0.001 0.000 0.286 326 V C 0.425 176.498 176.094 -0.035 0.000 1.034 326 V CA -0.323 61.935 62.300 -0.071 0.000 1.045 326 V CB -0.214 31.573 31.823 -0.061 0.000 0.974 326 V HN 0.753 nan 8.190 nan 0.000 0.480 327 R N 4.076 124.571 120.500 -0.009 0.000 2.387 327 R HA 0.477 4.816 4.340 -0.001 0.000 0.314 327 R C -0.384 175.930 176.300 0.023 0.000 0.958 327 R CA -0.511 55.604 56.100 0.025 0.000 0.846 327 R CB 1.349 31.688 30.300 0.065 0.000 1.147 327 R HN 0.704 nan 8.270 nan 0.000 0.447 328 E N 2.815 123.020 120.200 0.009 0.000 2.229 328 E HA 0.276 4.626 4.350 -0.001 0.000 0.283 328 E C 0.127 176.737 176.600 0.018 0.000 1.030 328 E CA -0.426 55.969 56.400 -0.009 0.000 0.836 328 E CB 1.163 30.852 29.700 -0.018 0.000 1.068 328 E HN 0.088 nan 8.360 nan 0.000 0.401 329 R N 2.426 122.932 120.500 0.011 0.000 2.647 329 R HA 0.223 4.562 4.340 -0.001 0.000 0.295 329 R C 0.438 176.751 176.300 0.021 0.000 1.267 329 R CA 0.210 56.342 56.100 0.052 0.000 1.386 329 R CB 0.712 31.110 30.300 0.163 0.000 1.309 329 R HN 0.930 nan 8.270 nan 0.000 0.692 330 G N 1.209 110.005 108.800 -0.008 0.000 3.487 330 G HA2 -0.438 3.521 3.960 -0.001 0.000 0.295 330 G HA3 -0.438 3.521 3.960 -0.001 0.000 0.295 330 G C 0.870 175.770 174.900 -0.000 0.000 1.454 330 G CA 0.710 45.803 45.100 -0.011 0.000 1.039 330 G HN 0.417 nan 8.290 nan 0.000 0.624 331 S N 0.518 116.225 115.700 0.013 0.000 2.522 331 S HA 0.452 4.921 4.470 -0.001 0.000 0.227 331 S C 0.909 175.488 174.600 -0.036 0.000 0.986 331 S CA 1.611 59.813 58.200 0.003 0.000 0.929 331 S CB -0.263 62.946 63.200 0.016 0.000 0.769 331 S HN 2.156 nan 8.310 nan 0.000 0.529 332 V N -0.752 119.119 119.914 -0.071 0.000 3.114 332 V HA 0.713 4.832 4.120 -0.001 0.000 0.308 332 V C -1.486 174.430 176.094 -0.296 0.000 1.168 332 V CA -1.293 60.891 62.300 -0.192 0.000 1.015 332 V CB 1.735 33.412 31.823 -0.243 0.000 1.050 332 V HN 0.457 nan 8.190 nan 0.000 0.433 333 Q N 1.234 120.804 119.800 -0.383 0.000 2.375 333 Q HA 0.700 5.039 4.340 -0.001 0.000 0.271 333 Q C -1.528 174.209 176.000 -0.440 0.000 1.074 333 Q CA -0.848 54.758 55.803 -0.329 0.000 0.808 333 Q CB 2.772 31.421 28.738 -0.148 0.000 1.327 333 Q HN 0.892 nan 8.270 nan 0.000 0.441 334 H N 1.411 120.466 119.070 -0.024 0.000 2.747 334 H HA 0.431 4.987 4.556 -0.001 0.000 0.371 334 H C -0.526 174.745 175.328 -0.095 0.000 1.161 334 H CA -0.880 55.147 56.048 -0.035 0.000 1.167 334 H CB 1.756 31.517 29.762 -0.002 0.000 1.732 334 H HN 0.556 nan 8.280 nan 0.000 0.544 335 L N 1.361 122.564 121.223 -0.032 0.000 2.410 335 L HA 0.377 4.716 4.340 -0.001 0.000 0.273 335 L C 0.960 177.646 176.870 -0.306 0.000 1.152 335 L CA 0.030 54.687 54.840 -0.305 0.000 0.855 335 L CB 0.688 42.420 42.059 -0.543 0.000 1.129 335 L HN 0.662 nan 8.230 nan 0.000 0.463 336 G N 1.536 110.180 108.800 -0.261 0.000 2.612 336 G HA2 0.652 4.612 3.960 -0.001 0.000 0.298 336 G HA3 0.652 4.612 3.960 -0.001 0.000 0.298 336 G C -1.403 173.534 174.900 0.061 0.000 1.336 336 G CA -0.298 44.809 45.100 0.010 0.000 0.953 336 G HN 0.483 nan 8.290 nan 0.000 0.482 337 S N -0.707 115.132 115.700 0.232 0.000 2.570 337 S HA 0.777 5.247 4.470 -0.001 0.000 0.286 337 S C -0.571 174.112 174.600 0.138 0.000 1.099 337 S CA -0.555 57.767 58.200 0.205 0.000 0.913 337 S CB 2.153 65.537 63.200 0.308 0.000 1.085 337 S HN 0.617 nan 8.310 nan 0.000 0.480 338 T N 2.450 117.076 114.554 0.121 0.000 2.791 338 T HA 0.550 4.899 4.350 -0.001 0.000 0.288 338 T C -0.476 174.276 174.700 0.086 0.000 0.999 338 T CA -0.288 61.865 62.100 0.088 0.000 0.952 338 T CB 0.186 69.096 68.868 0.069 0.000 0.938 338 T HN 0.408 nan 8.240 nan 0.000 0.444 339 I N 3.127 123.739 120.570 0.070 0.000 2.404 339 I HA 0.564 4.733 4.170 -0.001 0.000 0.293 339 I C 0.279 176.423 176.117 0.045 0.000 0.992 339 I CA -0.869 60.467 61.300 0.060 0.000 1.149 339 I CB 1.638 39.672 38.000 0.056 0.000 1.315 339 I HN 0.311 nan 8.210 nan 0.000 0.446 340 R N 4.885 125.408 120.500 0.038 0.000 2.750 340 R HA 0.921 5.261 4.340 -0.001 0.000 0.281 340 R C -1.574 174.740 176.300 0.023 0.000 0.972 340 R CA -0.415 55.703 56.100 0.030 0.000 0.912 340 R CB 2.294 32.611 30.300 0.029 0.000 1.187 340 R HN 0.813 nan 8.270 nan 0.000 0.464 341 A N 2.868 125.699 122.820 0.019 0.000 2.581 341 A HA 0.572 4.891 4.320 -0.001 0.000 0.290 341 A C -1.482 176.108 177.584 0.009 0.000 1.119 341 A CA -0.914 51.131 52.037 0.014 0.000 0.670 341 A CB 1.503 20.511 19.000 0.014 0.000 1.280 341 A HN 0.737 nan 8.150 nan 0.000 0.425 342 R N 0.097 120.601 120.500 0.006 0.000 2.393 342 R HA 0.488 4.827 4.340 -0.001 0.000 0.310 342 R C -1.033 175.267 176.300 0.000 0.000 0.968 342 R CA -0.807 55.294 56.100 0.002 0.000 0.867 342 R CB 1.619 31.919 30.300 0.001 0.000 1.124 342 R HN 0.563 nan 8.270 nan 0.000 0.450 343 L N 2.757 123.978 121.223 -0.003 0.000 2.462 343 L HA 0.040 4.379 4.340 -0.001 0.000 0.272 343 L C -0.104 176.762 176.870 -0.008 0.000 1.166 343 L CA 0.361 55.197 54.840 -0.006 0.000 0.880 343 L CB 0.313 42.365 42.059 -0.011 0.000 1.142 343 L HN 0.508 nan 8.230 nan 0.000 0.473 344 D N 5.812 126.208 120.400 -0.007 0.000 2.443 344 D HA 0.100 4.739 4.640 -0.001 0.000 0.239 344 D C -1.697 174.596 176.300 -0.011 0.000 1.136 344 D CA -0.775 53.221 54.000 -0.008 0.000 0.879 344 D CB 1.207 42.003 40.800 -0.007 0.000 1.195 344 D HN 0.451 nan 8.370 nan 0.000 0.443 345 P HA -0.088 nan 4.420 nan 0.000 0.225 345 P C 0.750 178.041 177.300 -0.015 0.000 1.148 345 P CA 0.779 63.871 63.100 -0.014 0.000 0.779 345 P CB 0.116 31.809 31.700 -0.012 0.000 0.780 346 S N -3.172 112.519 115.700 -0.014 0.000 2.527 346 S HA 0.086 4.555 4.470 -0.001 0.000 0.222 346 S C 1.220 175.810 174.600 -0.018 0.000 0.985 346 S CA -0.019 58.172 58.200 -0.015 0.000 0.921 346 S CB -0.543 62.649 63.200 -0.013 0.000 0.772 346 S HN -0.009 nan 8.310 nan 0.000 0.529 347 S N 1.405 117.094 115.700 -0.018 0.000 2.719 347 S HA 0.607 5.076 4.470 -0.001 0.000 0.285 347 S C -0.944 173.641 174.600 -0.025 0.000 1.137 347 S CA -0.296 57.892 58.200 -0.020 0.000 1.012 347 S CB 1.014 64.204 63.200 -0.016 0.000 1.134 347 S HN 0.725 nan 8.310 nan 0.000 0.544 348 D N -1.588 118.795 120.400 -0.029 0.000 2.643 348 D HA 0.298 4.937 4.640 -0.001 0.000 0.283 348 D C 0.548 176.824 176.300 -0.040 0.000 1.242 348 D CA -0.808 53.170 54.000 -0.037 0.000 0.863 348 D CB 0.363 41.137 40.800 -0.044 0.000 1.382 348 D HN 0.492 nan 8.370 nan 0.000 0.444 349 R N -0.543 119.926 120.500 -0.052 0.000 2.120 349 R HA -0.054 4.285 4.340 -0.001 0.000 0.234 349 R C 1.361 177.625 176.300 -0.059 0.000 1.123 349 R CA 0.983 57.048 56.100 -0.057 0.000 0.975 349 R CB -0.478 29.774 30.300 -0.079 0.000 0.866 349 R HN 0.308 nan 8.270 nan 0.000 0.446 350 M N 1.067 120.627 119.600 -0.065 0.000 2.200 350 M HA 0.068 4.548 4.480 -0.001 0.000 0.265 350 M C 2.444 178.733 176.300 -0.019 0.000 1.066 350 M CA 1.560 56.827 55.300 -0.055 0.000 1.127 350 M CB -0.815 31.748 32.600 -0.061 0.000 1.379 350 M HN 0.412 nan 8.290 nan 0.000 0.420 351 A N 0.212 123.016 122.820 -0.027 0.000 1.933 351 A HA 0.003 4.322 4.320 -0.001 0.000 0.218 351 A C 2.411 179.997 177.584 0.002 0.000 1.175 351 A CA 1.934 53.960 52.037 -0.018 0.000 0.628 351 A CB -0.773 18.211 19.000 -0.026 0.000 0.814 351 A HN 0.463 nan 8.150 nan 0.000 0.444 352 A N -0.451 122.371 122.820 0.003 0.000 1.877 352 A HA -0.020 4.299 4.320 -0.001 0.000 0.216 352 A C 2.123 179.739 177.584 0.053 0.000 1.186 352 A CA 1.687 53.737 52.037 0.021 0.000 0.620 352 A CB -0.648 18.357 19.000 0.008 0.000 0.822 352 A HN 0.632 nan 8.150 nan 0.000 0.443 353 L N 0.173 121.420 121.223 0.040 0.000 2.012 353 L HA -0.180 4.159 4.340 -0.001 0.000 0.210 353 L C 2.226 179.201 176.870 0.174 0.000 1.073 353 L CA 2.501 57.388 54.840 0.078 0.000 0.748 353 L CB -0.705 41.320 42.059 -0.057 0.000 0.891 353 L HN 0.536 nan 8.230 nan 0.000 0.431 354 E N -0.661 119.621 120.200 0.135 0.000 2.118 354 E HA -0.235 4.114 4.350 -0.001 0.000 0.195 354 E C 2.151 178.827 176.600 0.127 0.000 0.992 354 E CA 1.124 57.601 56.400 0.128 0.000 0.804 354 E CB -0.318 29.372 29.700 -0.017 0.000 0.741 354 E HN 0.661 nan 8.360 nan 0.000 0.458 355 A N 0.685 123.559 122.820 0.089 0.000 1.972 355 A HA -0.121 4.198 4.320 -0.001 0.000 0.219 355 A C 1.944 179.609 177.584 0.135 0.000 1.169 355 A CA 1.055 53.140 52.037 0.080 0.000 0.635 355 A CB -0.247 18.782 19.000 0.050 0.000 0.810 355 A HN 0.157 nan 8.150 nan 0.000 0.446 356 L N -2.149 119.179 121.223 0.175 0.000 2.667 356 L HA 0.342 4.681 4.340 -0.001 0.000 0.232 356 L C -0.123 176.882 176.870 0.224 0.000 1.138 356 L CA -0.351 54.592 54.840 0.173 0.000 0.921 356 L CB 0.158 42.301 42.059 0.140 0.000 1.180 356 L HN 0.280 nan 8.230 nan 0.000 0.487 357 F N 0.825 120.843 119.950 0.113 0.000 2.492 357 F HA 0.513 5.039 4.527 -0.001 0.000 0.327 357 F C -2.035 173.843 175.800 0.129 0.000 1.079 357 F CA -2.599 55.475 58.000 0.123 0.000 0.967 357 F CB 1.408 40.529 39.000 0.201 0.000 1.169 357 F HN -0.232 nan 8.300 nan 0.000 0.472 358 P HA 0.171 nan 4.420 nan 0.000 0.270 358 P C -1.285 175.848 177.300 -0.278 0.000 1.223 358 P CA -0.420 62.399 63.100 -0.469 0.000 0.785 358 P CB 0.371 31.845 31.700 -0.377 0.000 0.923 359 A N 1.925 124.527 122.820 -0.363 0.000 2.567 359 A HA -0.015 4.304 4.320 -0.001 0.000 0.240 359 A C 1.670 179.200 177.584 -0.091 0.000 1.053 359 A CA 0.022 51.956 52.037 -0.173 0.000 0.755 359 A CB -0.562 18.340 19.000 -0.163 0.000 0.978 359 A HN 0.526 nan 8.150 nan 0.000 0.507 360 V N 3.228 123.113 119.914 -0.049 0.000 2.380 360 V HA -0.222 3.897 4.120 -0.001 0.000 0.251 360 V C 2.477 178.550 176.094 -0.034 0.000 1.063 360 V CA 3.140 65.418 62.300 -0.038 0.000 1.055 360 V CB -0.847 30.963 31.823 -0.021 0.000 0.657 360 V HN 1.201 nan 8.190 nan 0.000 0.455 361 T N -2.366 112.165 114.554 -0.038 0.000 3.163 361 T HA 0.221 4.570 4.350 -0.001 0.000 0.260 361 T C 1.218 175.901 174.700 -0.029 0.000 1.156 361 T CA 0.952 63.035 62.100 -0.029 0.000 1.072 361 T CB 0.004 68.851 68.868 -0.035 0.000 0.937 361 T HN 0.672 nan 8.240 nan 0.000 0.528 362 A N 0.379 123.174 122.820 -0.042 0.000 2.508 362 A HA 0.622 4.941 4.320 -0.001 0.000 0.250 362 A C 1.814 179.402 177.584 0.007 0.000 1.208 362 A CA 0.344 52.354 52.037 -0.046 0.000 0.960 362 A CB 0.325 19.255 19.000 -0.117 0.000 1.099 362 A HN 0.569 nan 8.150 nan 0.000 0.542 363 S N -1.714 113.998 115.700 0.019 0.000 3.669 363 S HA 0.760 5.229 4.470 -0.001 0.000 0.171 363 S C 0.786 175.358 174.600 -0.048 0.000 0.855 363 S CA 0.507 58.734 58.200 0.046 0.000 1.037 363 S CB 0.212 63.445 63.200 0.055 0.000 1.477 363 S HN 1.649 nan 8.310 nan 0.000 0.854 364 G N 0.337 109.086 108.800 -0.085 0.000 2.325 364 G HA2 0.517 4.476 3.960 -0.001 0.000 0.295 364 G HA3 0.517 4.476 3.960 -0.001 0.000 0.295 364 G C -2.328 172.521 174.900 -0.084 0.000 1.274 364 G CA -0.703 44.343 45.100 -0.089 0.000 0.857 364 G HN 0.648 nan 8.290 nan 0.000 0.499 365 I N 1.073 121.626 120.570 -0.029 0.000 2.607 365 I HA 0.344 4.513 4.170 -0.001 0.000 0.290 365 I C -2.556 173.608 176.117 0.077 0.000 1.129 365 I CA -2.021 59.297 61.300 0.031 0.000 1.042 365 I CB 3.054 41.112 38.000 0.096 0.000 1.242 365 I HN 0.185 nan 8.210 nan 0.000 0.421 366 P HA 0.070 nan 4.420 nan 0.000 0.267 366 P C 0.097 177.310 177.300 -0.145 0.000 1.201 366 P CA -0.093 62.997 63.100 -0.017 0.000 0.775 366 P CB 0.702 32.401 31.700 -0.002 0.000 0.854 367 K N 1.787 122.041 120.400 -0.243 0.000 2.155 367 K HA -0.091 4.228 4.320 -0.001 0.000 0.203 367 K C 1.953 178.147 176.600 -0.677 0.000 1.052 367 K CA 1.458 57.465 56.287 -0.467 0.000 0.948 367 K CB -0.426 31.753 32.500 -0.534 0.000 0.728 367 K HN 0.446 nan 8.250 nan 0.000 0.448 368 A N 1.671 124.127 122.820 -0.606 0.000 1.883 368 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 368 A C 2.361 179.793 177.584 -0.253 0.000 1.186 368 A CA 2.036 53.849 52.037 -0.373 0.000 0.624 368 A CB -0.638 18.341 19.000 -0.035 0.000 0.822 368 A HN 0.332 nan 8.150 nan 0.000 0.444 369 A N -0.857 121.842 122.820 -0.201 0.000 1.970 369 A HA 0.262 4.581 4.320 -0.001 0.000 0.216 369 A C 2.327 179.668 177.584 -0.406 0.000 1.170 369 A CA 1.585 53.515 52.037 -0.178 0.000 0.645 369 A CB -1.116 17.876 19.000 -0.013 0.000 0.816 369 A HN 0.669 nan 8.150 nan 0.000 0.447 370 G N -0.321 108.214 108.800 -0.443 0.000 2.404 370 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.215 370 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.215 370 G C 1.500 176.165 174.900 -0.392 0.000 1.174 370 G CA 1.211 46.002 45.100 -0.515 0.000 0.780 370 G HN 0.270 nan 8.290 nan 0.000 0.537 371 V N 0.737 120.437 119.914 -0.357 0.000 2.287 371 V HA -0.174 3.946 4.120 -0.001 0.000 0.248 371 V C 2.740 178.432 176.094 -0.670 0.000 1.053 371 V CA 2.102 64.175 62.300 -0.379 0.000 1.027 371 V CB -0.343 31.250 31.823 -0.383 0.000 0.646 371 V HN 0.369 nan 8.190 nan 0.000 0.447 372 E N 0.428 120.305 120.200 -0.539 0.000 2.097 372 E HA -0.270 4.079 4.350 -0.001 0.000 0.196 372 E C 2.285 178.743 176.600 -0.236 0.000 1.000 372 E CA 1.816 57.980 56.400 -0.394 0.000 0.804 372 E CB -0.247 29.372 29.700 -0.134 0.000 0.740 372 E HN 0.535 nan 8.360 nan 0.000 0.454 373 A N 1.073 123.734 122.820 -0.264 0.000 1.908 373 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 373 A C 2.395 179.917 177.584 -0.103 0.000 1.181 373 A CA 1.457 53.386 52.037 -0.179 0.000 0.627 373 A CB -0.703 18.056 19.000 -0.401 0.000 0.818 373 A HN 0.308 nan 8.150 nan 0.000 0.445 374 I N -1.197 119.278 120.570 -0.159 0.000 2.208 374 I HA -0.273 3.896 4.170 -0.001 0.000 0.245 374 I C 2.169 178.350 176.117 0.106 0.000 1.097 374 I CA 1.188 62.453 61.300 -0.059 0.000 1.363 374 I CB -0.453 37.492 38.000 -0.092 0.000 1.051 374 I HN 0.274 nan 8.210 nan 0.000 0.413 375 F N 1.167 121.153 119.950 0.061 0.000 2.115 375 F HA -0.241 4.286 4.527 -0.002 0.000 0.300 375 F C 2.635 178.457 175.800 0.037 0.000 1.092 375 F CA 1.480 59.517 58.000 0.062 0.000 1.245 375 F CB -1.075 37.962 39.000 0.061 0.000 0.995 375 F HN 0.050 nan 8.300 nan 0.000 0.481 376 R N -0.678 119.947 120.500 0.209 0.000 2.112 376 R HA 0.138 4.477 4.340 -0.001 0.000 0.216 376 R C 1.774 178.125 176.300 0.085 0.000 1.080 376 R CA 0.657 56.833 56.100 0.127 0.000 0.996 376 R CB -0.109 30.253 30.300 0.103 0.000 0.902 376 R HN 0.277 nan 8.270 nan 0.000 0.449 377 L N -0.352 120.913 121.223 0.070 0.000 2.731 377 L HA 0.243 4.582 4.340 -0.001 0.000 0.240 377 L C -0.211 176.686 176.870 0.046 0.000 1.120 377 L CA -0.113 54.754 54.840 0.046 0.000 0.913 377 L CB 0.387 42.465 42.059 0.032 0.000 1.213 377 L HN -0.002 nan 8.230 nan 0.000 0.515 378 D N -0.234 120.201 120.400 0.058 0.000 2.414 378 D HA 0.251 4.891 4.640 -0.001 0.000 0.241 378 D C -0.537 175.796 176.300 0.055 0.000 1.008 378 D CA -0.482 53.552 54.000 0.056 0.000 1.001 378 D CB 1.365 42.186 40.800 0.034 0.000 1.277 378 D HN -0.060 nan 8.370 nan 0.000 0.538 379 E N 0.390 120.611 120.200 0.035 0.000 2.180 379 E HA 0.336 4.686 4.350 -0.001 0.000 0.283 379 E C -0.664 175.953 176.600 0.029 0.000 1.061 379 E CA -0.194 56.215 56.400 0.015 0.000 0.861 379 E CB 0.608 30.293 29.700 -0.025 0.000 1.056 379 E HN 0.197 nan 8.360 nan 0.000 0.407 380 C N 4.312 123.642 119.300 0.049 0.000 2.529 380 C HA 0.533 4.992 4.460 -0.001 0.000 0.329 380 C C -1.738 173.288 174.990 0.059 0.000 1.194 380 C CA -1.452 57.618 59.018 0.086 0.000 1.779 380 C CB 0.579 28.402 27.740 0.138 0.000 2.322 380 C HN 0.725 nan 8.230 nan 0.000 0.500 381 P HA 0.329 nan 4.420 nan 0.000 0.274 381 P C 0.292 177.681 177.300 0.148 0.000 1.231 381 P CA -0.232 62.965 63.100 0.161 0.000 0.790 381 P CB 0.850 32.661 31.700 0.185 0.000 0.951 382 R N 0.453 121.068 120.500 0.191 0.000 2.090 382 R HA 0.051 4.390 4.340 -0.001 0.000 0.228 382 R C 1.551 177.961 176.300 0.183 0.000 1.110 382 R CA 1.080 57.279 56.100 0.165 0.000 0.973 382 R CB -0.758 29.578 30.300 0.060 0.000 0.869 382 R HN 0.892 nan 8.270 nan 0.000 0.440 383 G N 0.828 109.775 108.800 0.246 0.000 2.565 383 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.295 383 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.295 383 G C 0.579 175.561 174.900 0.137 0.000 1.165 383 G CA 0.353 45.570 45.100 0.195 0.000 0.977 383 G HN 0.167 nan 8.290 nan 0.000 0.546 384 L N 0.138 121.267 121.223 -0.156 0.000 2.083 384 L HA 0.171 4.510 4.340 -0.001 0.000 0.209 384 L C 1.780 178.689 176.870 0.065 0.000 1.083 384 L CA 1.617 56.370 54.840 -0.145 0.000 0.752 384 L CB -0.651 41.197 42.059 -0.352 0.000 0.899 384 L HN 0.518 nan 8.230 nan 0.000 0.433 385 Y N 1.380 121.629 120.300 -0.084 0.000 2.729 385 Y HA 0.065 4.615 4.550 -0.001 0.000 0.331 385 Y C 1.385 177.334 175.900 0.083 0.000 1.208 385 Y CA -0.182 57.940 58.100 0.038 0.000 1.521 385 Y CB 0.077 38.522 38.460 -0.025 0.000 1.233 385 Y HN 0.377 nan 8.280 nan 0.000 0.539 386 S N 1.502 116.761 115.700 -0.734 0.000 3.270 386 S HA -0.221 4.248 4.470 -0.001 0.000 0.293 386 S C 0.602 175.163 174.600 -0.064 0.000 1.278 386 S CA 0.723 58.630 58.200 -0.487 0.000 1.038 386 S CB -2.265 60.552 63.200 -0.639 0.000 1.218 386 S HN 1.390 nan 8.310 nan 0.000 0.659 387 G N 0.941 109.796 108.800 0.092 0.000 2.582 387 G HA2 0.794 4.753 3.960 -0.001 0.000 0.232 387 G HA3 0.794 4.753 3.960 -0.001 0.000 0.232 387 G C 0.020 175.048 174.900 0.213 0.000 1.458 387 G CA -0.267 44.998 45.100 0.276 0.000 1.062 387 G HN 1.691 nan 8.290 nan 0.000 0.566 388 A N -2.074 120.951 122.820 0.341 0.000 2.515 388 A HA 0.674 4.993 4.320 -0.001 0.000 0.296 388 A C -1.220 176.414 177.584 0.084 0.000 1.094 388 A CA -0.430 51.727 52.037 0.201 0.000 0.718 388 A CB 1.909 21.082 19.000 0.288 0.000 1.307 388 A HN 0.885 nan 8.150 nan 0.000 0.408 389 V N 1.564 121.467 119.914 -0.019 0.000 2.435 389 V HA 0.593 4.712 4.120 -0.001 0.000 0.290 389 V C -0.043 175.963 176.094 -0.146 0.000 1.030 389 V CA -0.335 61.892 62.300 -0.122 0.000 0.881 389 V CB 1.268 32.872 31.823 -0.365 0.000 0.983 389 V HN 1.149 nan 8.190 nan 0.000 0.445 390 V N 3.176 122.925 119.914 -0.275 0.000 2.769 390 V HA 0.781 4.900 4.120 -0.001 0.000 0.312 390 V C -0.623 175.114 176.094 -0.594 0.000 1.061 390 V CA -0.817 61.248 62.300 -0.393 0.000 0.931 390 V CB 1.912 33.552 31.823 -0.306 0.000 1.010 390 V HN 0.909 nan 8.190 nan 0.000 0.433 391 M N 4.906 124.105 119.600 -0.669 0.000 2.197 391 M HA 0.726 5.205 4.480 -0.001 0.000 0.301 391 M C -2.296 173.664 176.300 -0.566 0.000 0.987 391 M CA -0.513 54.325 55.300 -0.770 0.000 0.921 391 M CB 1.607 33.796 32.600 -0.684 0.000 1.569 391 M HN 0.791 nan 8.290 nan 0.000 0.431 392 L N 3.299 124.147 121.223 -0.625 0.000 2.346 392 L HA 0.706 5.045 4.340 -0.001 0.000 0.274 392 L C -0.530 176.093 176.870 -0.411 0.000 1.007 392 L CA -0.220 54.364 54.840 -0.426 0.000 0.818 392 L CB 2.481 44.322 42.059 -0.365 0.000 1.284 392 L HN 0.673 nan 8.230 nan 0.000 0.424 393 S N 0.061 115.593 115.700 -0.281 0.000 2.599 393 S HA 0.582 5.051 4.470 -0.001 0.000 0.294 393 S C 0.785 175.284 174.600 -0.169 0.000 1.094 393 S CA -0.159 57.903 58.200 -0.230 0.000 0.931 393 S CB 1.847 64.936 63.200 -0.185 0.000 1.093 393 S HN 0.708 nan 8.310 nan 0.000 0.488 394 A N 1.196 123.930 122.820 -0.142 0.000 2.067 394 A HA -0.107 4.212 4.320 -0.001 0.000 0.219 394 A C 1.419 178.951 177.584 -0.087 0.000 1.158 394 A CA 1.738 53.710 52.037 -0.108 0.000 0.661 394 A CB -0.637 18.311 19.000 -0.088 0.000 0.801 394 A HN 0.844 nan 8.150 nan 0.000 0.452 395 D N -2.405 117.944 120.400 -0.084 0.000 2.328 395 D HA 0.295 4.934 4.640 -0.001 0.000 0.226 395 D C 1.092 177.353 176.300 -0.066 0.000 1.066 395 D CA 0.864 54.825 54.000 -0.064 0.000 0.861 395 D CB -0.415 40.352 40.800 -0.054 0.000 0.912 395 D HN 0.691 nan 8.370 nan 0.000 0.521 396 G N -1.022 107.728 108.800 -0.082 0.000 2.179 396 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.220 396 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.220 396 G C 0.652 175.500 174.900 -0.087 0.000 0.990 396 G CA -0.144 44.908 45.100 -0.079 0.000 0.646 396 G HN 0.753 nan 8.290 nan 0.000 0.517 397 G N -0.359 108.383 108.800 -0.098 0.000 2.544 397 G HA2 0.624 4.583 3.960 -0.001 0.000 0.242 397 G HA3 0.624 4.583 3.960 -0.001 0.000 0.242 397 G C -0.580 174.241 174.900 -0.132 0.000 1.247 397 G CA 0.497 45.537 45.100 -0.101 0.000 0.840 397 G HN 1.284 nan 8.290 nan 0.000 0.578 398 L N 0.752 121.907 121.223 -0.114 0.000 2.493 398 L HA 0.595 4.934 4.340 -0.001 0.000 0.265 398 L C -1.726 175.087 176.870 -0.094 0.000 0.954 398 L CA -0.931 53.827 54.840 -0.137 0.000 0.844 398 L CB 2.527 44.511 42.059 -0.124 0.000 1.302 398 L HN 0.526 nan 8.230 nan 0.000 0.405 399 D N 4.176 124.508 120.400 -0.112 0.000 2.542 399 D HA 0.679 5.318 4.640 -0.001 0.000 0.252 399 D C -1.537 174.746 176.300 -0.029 0.000 1.222 399 D CA -0.125 53.863 54.000 -0.020 0.000 0.895 399 D CB 2.226 43.069 40.800 0.072 0.000 1.207 399 D HN 0.810 nan 8.370 nan 0.000 0.558 400 A N 2.673 125.516 122.820 0.038 0.000 2.323 400 A HA 0.677 4.996 4.320 -0.001 0.000 0.305 400 A C -0.300 177.366 177.584 0.136 0.000 1.275 400 A CA -0.580 51.491 52.037 0.056 0.000 0.804 400 A CB 1.116 20.147 19.000 0.052 0.000 1.152 400 A HN 0.526 nan 8.150 nan 0.000 0.487 401 A N 2.354 125.293 122.820 0.198 0.000 2.328 401 A HA 0.574 4.894 4.320 -0.001 0.000 0.284 401 A C -0.053 177.617 177.584 0.143 0.000 1.160 401 A CA -0.434 51.719 52.037 0.194 0.000 0.818 401 A CB 0.163 19.331 19.000 0.279 0.000 1.087 401 A HN 1.351 nan 8.150 nan 0.000 0.504 402 L N 2.841 124.124 121.223 0.100 0.000 2.462 402 L HA 0.238 4.577 4.340 -0.001 0.000 0.272 402 L C 0.500 177.421 176.870 0.084 0.000 1.166 402 L CA 0.938 55.808 54.840 0.050 0.000 0.880 402 L CB 0.505 42.560 42.059 -0.007 0.000 1.142 402 L HN 0.639 nan 8.230 nan 0.000 0.473 403 T N 7.457 122.054 114.554 0.072 0.000 2.987 403 T HA 0.465 4.814 4.350 -0.001 0.000 0.288 403 T C -0.020 174.754 174.700 0.124 0.000 0.981 403 T CA -0.031 62.160 62.100 0.151 0.000 1.031 403 T CB -0.630 68.325 68.868 0.146 0.000 0.976 403 T HN 0.413 nan 8.240 nan 0.000 0.612 404 L N 2.140 123.470 121.223 0.180 0.000 2.359 404 L HA 0.644 4.983 4.340 -0.001 0.000 0.256 404 L C -0.201 176.800 176.870 0.219 0.000 1.026 404 L CA -1.649 53.318 54.840 0.211 0.000 0.828 404 L CB 1.568 43.696 42.059 0.114 0.000 1.406 404 L HN 0.305 nan 8.230 nan 0.000 0.413 405 R N -0.456 120.173 120.500 0.215 0.000 3.209 405 R HA -0.127 4.212 4.340 -0.001 0.000 0.252 405 R C -0.832 175.502 176.300 0.056 0.000 0.958 405 R CA 0.779 56.972 56.100 0.156 0.000 0.651 405 R CB -2.460 27.960 30.300 0.199 0.000 1.142 405 R HN 0.731 nan 8.270 nan 0.000 0.441 406 A N -0.616 122.191 122.820 -0.023 0.000 2.515 406 A HA 0.931 5.250 4.320 -0.001 0.000 0.296 406 A C -0.688 176.540 177.584 -0.593 0.000 1.094 406 A CA -0.033 51.835 52.037 -0.282 0.000 0.718 406 A CB 2.139 21.095 19.000 -0.075 0.000 1.307 406 A HN 0.680 nan 8.150 nan 0.000 0.408 407 A N 0.218 122.580 122.820 -0.763 0.000 2.356 407 A HA 0.886 5.205 4.320 -0.001 0.000 0.323 407 A C -1.439 175.586 177.584 -0.932 0.000 1.119 407 A CA -0.423 51.111 52.037 -0.838 0.000 0.790 407 A CB 0.781 19.488 19.000 -0.488 0.000 1.273 407 A HN 0.989 nan 8.150 nan 0.000 0.452 408 Y N -0.399 119.683 120.300 -0.364 0.000 2.524 408 Y HA 0.674 5.223 4.550 -0.002 0.000 0.347 408 Y C -0.058 175.651 175.900 -0.317 0.000 1.005 408 Y CA -0.646 57.128 58.100 -0.544 0.000 1.025 408 Y CB 2.145 39.760 38.460 -1.409 0.000 1.275 408 Y HN 0.696 nan 8.280 nan 0.000 0.460 409 Q N 2.305 122.065 119.800 -0.067 0.000 2.274 409 Q HA 0.756 5.096 4.340 -0.001 0.000 0.268 409 Q C -2.339 173.698 176.000 0.062 0.000 1.015 409 Q CA -0.666 55.184 55.803 0.079 0.000 0.775 409 Q CB 2.191 30.977 28.738 0.079 0.000 1.256 409 Q HN 0.698 nan 8.270 nan 0.000 0.442 410 V N 1.832 121.912 119.914 0.276 0.000 2.851 410 V HA 0.568 4.687 4.120 -0.001 0.000 0.307 410 V C 0.555 176.762 176.094 0.189 0.000 1.129 410 V CA -0.065 62.361 62.300 0.211 0.000 0.932 410 V CB 1.777 33.772 31.823 0.286 0.000 1.024 410 V HN 1.003 nan 8.190 nan 0.000 0.426 411 G N 2.566 111.431 108.800 0.109 0.000 2.305 411 G HA2 0.114 4.073 3.960 -0.001 0.000 0.287 411 G HA3 0.114 4.073 3.960 -0.001 0.000 0.287 411 G C 1.198 176.146 174.900 0.080 0.000 1.036 411 G CA 0.900 46.047 45.100 0.079 0.000 0.887 411 G HN 2.600 nan 8.290 nan 0.000 0.505 412 G N -1.446 107.410 108.800 0.094 0.000 2.148 412 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.254 412 G HA3 -0.050 3.909 3.960 -0.001 0.000 0.254 412 G C 0.298 175.266 174.900 0.113 0.000 0.981 412 G CA 1.352 46.507 45.100 0.092 0.000 0.670 412 G HN 2.123 nan 8.290 nan 0.000 0.528 413 R N -0.696 119.903 120.500 0.164 0.000 2.740 413 R HA 0.787 5.126 4.340 -0.001 0.000 0.282 413 R C -0.818 175.718 176.300 0.393 0.000 0.969 413 R CA -0.260 55.962 56.100 0.203 0.000 0.918 413 R CB 1.632 31.998 30.300 0.109 0.000 1.175 413 R HN 0.057 nan 8.270 nan 0.000 0.464 414 T N 3.330 118.100 114.554 0.361 0.000 2.861 414 T HA 0.646 4.995 4.350 -0.001 0.000 0.287 414 T C -1.496 173.460 174.700 0.427 0.000 1.003 414 T CA -0.599 61.719 62.100 0.363 0.000 0.977 414 T CB 0.683 69.632 68.868 0.135 0.000 0.996 414 T HN 0.771 nan 8.240 nan 0.000 0.448 415 W N 2.467 123.805 121.300 0.062 0.000 3.059 415 W HA 0.736 5.395 4.660 -0.002 0.000 0.329 415 W C -2.753 173.811 176.519 0.075 0.000 1.246 415 W CA -1.276 56.094 57.345 0.042 0.000 1.190 415 W CB 0.629 30.123 29.460 0.057 0.000 1.423 415 W HN 0.590 nan 8.180 nan 0.000 0.571 416 L N 2.260 123.583 121.223 0.167 0.000 2.304 416 L HA 0.788 5.127 4.340 -0.001 0.000 0.268 416 L C -0.278 176.688 176.870 0.160 0.000 1.010 416 L CA -1.482 53.375 54.840 0.028 0.000 0.813 416 L CB 2.033 44.069 42.059 -0.038 0.000 1.315 416 L HN 0.659 nan 8.230 nan 0.000 0.445 417 R N 0.646 121.174 120.500 0.046 0.000 2.522 417 R HA 0.748 5.087 4.340 -0.001 0.000 0.273 417 R C -1.993 174.159 176.300 -0.247 0.000 1.133 417 R CA -0.241 55.761 56.100 -0.163 0.000 0.969 417 R CB 2.008 32.103 30.300 -0.342 0.000 1.235 417 R HN 0.827 nan 8.270 nan 0.000 0.433 418 A N 2.000 124.657 122.820 -0.272 0.000 2.572 418 A HA 0.892 5.212 4.320 -0.001 0.000 0.295 418 A C -1.024 176.465 177.584 -0.158 0.000 1.072 418 A CA -0.229 51.739 52.037 -0.116 0.000 0.691 418 A CB 1.985 20.917 19.000 -0.113 0.000 1.291 418 A HN 0.838 nan 8.150 nan 0.000 0.404 419 G N -1.002 107.810 108.800 0.020 0.000 3.021 419 G HA2 0.928 4.887 3.960 -0.001 0.000 0.290 419 G HA3 0.928 4.887 3.960 -0.001 0.000 0.290 419 G C -0.790 174.175 174.900 0.108 0.000 1.291 419 G CA 0.022 45.148 45.100 0.044 0.000 0.834 419 G HN 2.121 nan 8.290 nan 0.000 0.564 420 A N -1.586 121.375 122.820 0.234 0.000 2.574 420 A HA 0.783 5.102 4.320 -0.001 0.000 0.297 420 A C -0.161 177.539 177.584 0.194 0.000 1.062 420 A CA 0.098 52.269 52.037 0.222 0.000 0.686 420 A CB 1.401 20.579 19.000 0.297 0.000 1.285 420 A HN 1.866 nan 8.150 nan 0.000 0.403 421 G N 1.252 110.136 108.800 0.141 0.000 2.339 421 G HA2 0.522 4.481 3.960 -0.001 0.000 0.287 421 G HA3 0.522 4.481 3.960 -0.001 0.000 0.287 421 G C -0.354 174.613 174.900 0.110 0.000 1.163 421 G CA -0.211 44.954 45.100 0.109 0.000 0.872 421 G HN 0.488 nan 8.290 nan 0.000 0.464 422 I N 4.004 124.635 120.570 0.102 0.000 2.339 422 I HA 0.384 4.553 4.170 -0.001 0.000 0.290 422 I C 0.593 176.773 176.117 0.106 0.000 0.994 422 I CA -0.767 60.590 61.300 0.095 0.000 1.191 422 I CB 0.838 38.885 38.000 0.078 0.000 1.343 422 I HN 0.486 nan 8.210 nan 0.000 0.458 423 I N 1.554 122.178 120.570 0.090 0.000 3.237 423 I HA 0.533 4.702 4.170 -0.001 0.000 0.308 423 I C 1.312 177.467 176.117 0.063 0.000 1.093 423 I CA -0.794 60.560 61.300 0.089 0.000 1.001 423 I CB 1.361 39.410 38.000 0.082 0.000 1.245 423 I HN 0.550 nan 8.210 nan 0.000 0.485 424 E N 1.528 121.761 120.200 0.054 0.000 2.114 424 E HA -0.267 4.083 4.350 -0.001 0.000 0.199 424 E C 1.436 178.050 176.600 0.024 0.000 1.008 424 E CA 2.286 58.703 56.400 0.029 0.000 0.810 424 E CB -0.050 29.667 29.700 0.029 0.000 0.739 424 E HN 0.767 nan 8.360 nan 0.000 0.456 425 E N 0.573 120.792 120.200 0.032 0.000 2.437 425 E HA 0.079 4.428 4.350 -0.001 0.000 0.189 425 E C -0.202 176.419 176.600 0.035 0.000 1.054 425 E CA -0.062 56.355 56.400 0.028 0.000 0.874 425 E CB 0.382 30.099 29.700 0.028 0.000 1.011 425 E HN -0.023 nan 8.360 nan 0.000 0.474 426 S N 1.432 117.156 115.700 0.040 0.000 2.585 426 S HA 0.149 4.618 4.470 -0.001 0.000 0.273 426 S C -0.044 174.579 174.600 0.037 0.000 1.339 426 S CA -0.198 58.030 58.200 0.047 0.000 1.028 426 S CB 0.752 63.985 63.200 0.056 0.000 0.906 426 S HN 0.229 nan 8.310 nan 0.000 0.528 427 E N 1.687 121.916 120.200 0.048 0.000 2.234 427 E HA 0.230 4.580 4.350 -0.001 0.000 0.266 427 E C -2.163 174.476 176.600 0.064 0.000 0.877 427 E CA -2.138 54.288 56.400 0.043 0.000 0.758 427 E CB 1.522 31.249 29.700 0.044 0.000 1.170 427 E HN 0.184 nan 8.360 nan 0.000 0.415 428 P HA -0.249 nan 4.420 nan 0.000 0.216 428 P C 1.217 178.612 177.300 0.159 0.000 1.157 428 P CA 1.344 64.487 63.100 0.072 0.000 0.880 428 P CB 0.425 32.139 31.700 0.025 0.000 0.791 429 E N -0.695 119.569 120.200 0.107 0.000 2.031 429 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 429 E C 2.163 178.873 176.600 0.183 0.000 0.994 429 E CA 1.293 57.763 56.400 0.117 0.000 0.800 429 E CB -0.650 29.083 29.700 0.054 0.000 0.752 429 E HN -0.133 nan 8.360 nan 0.000 0.447 430 R N 0.890 121.475 120.500 0.142 0.000 2.083 430 R HA -0.134 4.206 4.340 -0.001 0.000 0.237 430 R C 1.943 178.356 176.300 0.187 0.000 1.137 430 R CA 1.856 58.040 56.100 0.140 0.000 0.951 430 R CB -0.492 29.868 30.300 0.099 0.000 0.851 430 R HN 0.139 nan 8.270 nan 0.000 0.434 431 E N -0.131 120.208 120.200 0.231 0.000 2.051 431 E HA -0.208 4.141 4.350 -0.001 0.000 0.192 431 E C 1.912 178.756 176.600 0.408 0.000 0.991 431 E CA 1.409 57.995 56.400 0.309 0.000 0.799 431 E CB -0.678 29.220 29.700 0.330 0.000 0.748 431 E HN 0.418 nan 8.360 nan 0.000 0.449 432 F N 2.238 122.412 119.950 0.375 0.000 2.120 432 F HA -0.278 4.248 4.527 -0.001 0.000 0.300 432 F C 2.470 178.292 175.800 0.038 0.000 1.095 432 F CA 2.055 60.179 58.000 0.207 0.000 1.249 432 F CB 0.089 39.244 39.000 0.259 0.000 0.995 432 F HN -0.011 nan 8.300 nan 0.000 0.480 433 E N 0.773 121.167 120.200 0.323 0.000 2.110 433 E HA -0.268 4.081 4.350 -0.001 0.000 0.193 433 E C 2.060 178.681 176.600 0.035 0.000 0.988 433 E CA 1.737 58.239 56.400 0.171 0.000 0.804 433 E CB -0.483 29.317 29.700 0.167 0.000 0.745 433 E HN 0.641 nan 8.360 nan 0.000 0.458 434 E N -0.671 119.562 120.200 0.054 0.000 2.118 434 E HA -0.202 4.147 4.350 -0.001 0.000 0.195 434 E C 1.810 178.381 176.600 -0.048 0.000 0.992 434 E CA 1.909 58.326 56.400 0.029 0.000 0.804 434 E CB -0.194 29.555 29.700 0.081 0.000 0.741 434 E HN 0.514 nan 8.360 nan 0.000 0.458 435 T N -1.698 112.753 114.554 -0.172 0.000 2.821 435 T HA -0.152 4.197 4.350 -0.001 0.000 0.267 435 T C 2.192 176.731 174.700 -0.270 0.000 1.046 435 T CA 1.230 63.148 62.100 -0.303 0.000 1.139 435 T CB -0.840 67.642 68.868 -0.643 0.000 0.871 435 T HN 0.255 nan 8.240 nan 0.000 0.454 436 C N 1.768 120.904 119.300 -0.274 0.000 2.432 436 C HA -0.013 4.446 4.460 -0.001 0.000 0.277 436 C C 2.864 177.800 174.990 -0.089 0.000 1.249 436 C CA 0.861 59.775 59.018 -0.172 0.000 1.725 436 C CB -1.207 26.473 27.740 -0.099 0.000 2.028 436 C HN 0.652 nan 8.230 nan 0.000 0.477 437 E N 0.825 120.992 120.200 -0.055 0.000 2.130 437 E HA -0.245 4.104 4.350 -0.001 0.000 0.196 437 E C 2.127 178.716 176.600 -0.017 0.000 0.998 437 E CA 1.352 57.734 56.400 -0.030 0.000 0.806 437 E CB -0.138 29.552 29.700 -0.016 0.000 0.738 437 E HN 0.659 nan 8.360 nan 0.000 0.459 438 K N 0.378 120.771 120.400 -0.011 0.000 2.076 438 K HA -0.027 4.292 4.320 -0.001 0.000 0.204 438 K C 2.178 178.785 176.600 0.011 0.000 1.051 438 K CA 0.638 56.944 56.287 0.032 0.000 0.949 438 K CB -0.031 32.503 32.500 0.057 0.000 0.726 438 K HN 0.070 nan 8.250 nan 0.000 0.443 439 L N 1.056 122.253 121.223 -0.044 0.000 2.191 439 L HA -0.138 4.201 4.340 -0.001 0.000 0.212 439 L C 1.921 178.763 176.870 -0.045 0.000 1.103 439 L CA 0.860 55.667 54.840 -0.055 0.000 0.769 439 L CB -0.217 41.777 42.059 -0.108 0.000 0.908 439 L HN 0.075 nan 8.230 nan 0.000 0.438 440 S N -1.271 114.399 115.700 -0.050 0.000 2.595 440 S HA -0.113 4.356 4.470 -0.001 0.000 0.235 440 S C 1.830 176.418 174.600 -0.019 0.000 0.974 440 S CA 0.880 59.038 58.200 -0.070 0.000 0.942 440 S CB -0.212 62.948 63.200 -0.066 0.000 0.766 440 S HN 0.408 nan 8.310 nan 0.000 0.536 441 T N 1.681 116.260 114.554 0.042 0.000 2.962 441 T HA 0.151 4.501 4.350 -0.001 0.000 0.270 441 T C 1.294 176.110 174.700 0.194 0.000 1.088 441 T CA 0.844 63.012 62.100 0.113 0.000 1.127 441 T CB -0.021 68.921 68.868 0.124 0.000 0.883 441 T HN 0.341 nan 8.240 nan 0.000 0.493 442 L N -0.311 120.981 121.223 0.115 0.000 2.806 442 L HA 0.099 4.438 4.340 -0.001 0.000 0.242 442 L C 2.730 179.572 176.870 -0.048 0.000 1.068 442 L CA 0.658 55.584 54.840 0.143 0.000 0.923 442 L CB -0.259 41.847 42.059 0.078 0.000 1.364 442 L HN 0.230 nan 8.230 nan 0.000 0.511 443 T N -1.834 112.634 114.554 -0.143 0.000 2.881 443 T HA -0.025 4.324 4.350 -0.001 0.000 0.270 443 T C -0.911 173.611 174.700 -0.298 0.000 1.068 443 T CA 0.673 62.666 62.100 -0.178 0.000 1.131 443 T CB -1.431 67.356 68.868 -0.135 0.000 0.871 443 T HN 0.116 nan 8.240 nan 0.000 0.479 444 P HA 0.165 nan 4.420 nan 0.000 0.253 444 P C -0.442 176.392 177.300 -0.778 0.000 1.260 444 P CA 0.305 62.946 63.100 -0.764 0.000 0.800 444 P CB -0.325 30.758 31.700 -1.030 0.000 1.162 445 Y N -1.142 119.102 120.300 -0.094 0.000 2.707 445 Y HA 0.309 4.858 4.550 -0.001 0.000 0.249 445 Y C 0.617 176.491 175.900 -0.043 0.000 1.166 445 Y CA -1.019 57.027 58.100 -0.090 0.000 1.184 445 Y CB -0.343 38.047 38.460 -0.116 0.000 1.240 445 Y HN -0.197 nan 8.280 nan 0.000 0.547 446 L N 1.625 122.883 121.223 0.059 0.000 2.313 446 L HA 0.397 4.736 4.340 -0.001 0.000 0.282 446 L C -0.289 176.657 176.870 0.127 0.000 1.092 446 L CA -0.692 54.195 54.840 0.077 0.000 0.831 446 L CB 0.799 42.923 42.059 0.108 0.000 1.159 446 L HN -0.155 nan 8.230 nan 0.000 0.442 447 V N 3.181 123.152 119.914 0.095 0.000 2.370 447 V HA 0.447 4.566 4.120 -0.001 0.000 0.283 447 V C 0.711 176.886 176.094 0.135 0.000 1.023 447 V CA -0.713 61.640 62.300 0.089 0.000 0.857 447 V CB 1.397 33.256 31.823 0.059 0.000 0.985 447 V HN 0.908 nan 8.190 nan 0.000 0.443 448 A N 5.731 128.626 122.820 0.126 0.000 2.466 448 A HA 0.373 4.692 4.320 -0.001 0.000 0.238 448 A C 0.738 178.390 177.584 0.113 0.000 1.074 448 A CA 0.009 52.141 52.037 0.158 0.000 0.774 448 A CB 0.209 19.199 19.000 -0.017 0.000 1.015 448 A HN 0.807 nan 8.150 nan 0.000 0.498 449 R N 0.000 120.584 120.500 0.140 0.000 2.786 449 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 449 R CA 0.000 56.169 56.100 0.114 0.000 0.921 449 R CB 0.000 30.380 30.300 0.133 0.000 0.687 449 R HN 0.000 nan 8.270 nan 0.000 0.535