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 1w4c_1_Q DATA FIRST_RESID 1 DATA SEQUENCE MIHLYDAKSF AKLRAAQYAA FHTDAPGSWF DHTSGVLESV EDGTPVLAIG DATA SEQUENCE VESGDAIVFD KNAQRIVAYK EKSVKAEDGS VSVVQVENGF MKQGHRGWLV DATA SEQUENCE DLTGELVGCS PVVAEFGGHR YASGMVIVTG KGNSGKTPLV HALGEALGGK DATA SEQUENCE DKYATVRFGE PLSGYNTDFN VFVDDIARAM LQHRVIVIDS LKNVIXXXXX DATA SEQUENCE XXXXXXISRG AFDLLSDIGA MAASRGCVVI ASLNPTSNDD KIVELVKEAS DATA SEQUENCE RSNSTSLVIS TDVDGEWQVL TRTGEGLQRL THTLQTSYGE HSVLTIHTSX DATA SEQUENCE XXXXXQASGK AIQTVIKNDE L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.192 176.300 -0.179 0.000 1.140 1 M CA 0.000 55.229 55.300 -0.118 0.000 0.988 1 M CB 0.000 32.494 32.600 -0.176 0.000 1.302 2 I N -0.812 119.630 120.570 -0.214 0.000 2.566 2 I HA 0.646 4.816 4.170 -0.000 0.000 0.303 2 I C -1.086 174.799 176.117 -0.388 0.000 0.983 2 I CA -0.422 60.773 61.300 -0.174 0.000 1.235 2 I CB 1.299 39.250 38.000 -0.082 0.000 1.386 2 I HN 0.579 nan 8.210 nan 0.000 0.494 3 H N 5.372 124.383 119.070 -0.098 0.000 2.690 3 H HA 0.580 5.136 4.556 0.000 0.000 0.368 3 H C -0.901 174.152 175.328 -0.459 0.000 1.150 3 H CA -0.611 55.271 56.048 -0.277 0.000 1.174 3 H CB 2.516 32.090 29.762 -0.314 0.000 1.684 3 H HN 0.512 nan 8.280 nan 0.000 0.538 4 L N 2.456 123.442 121.223 -0.395 0.000 2.334 4 L HA 0.460 4.800 4.340 -0.000 0.000 0.272 4 L C -1.012 175.557 176.870 -0.502 0.000 1.020 4 L CA -0.762 53.884 54.840 -0.323 0.000 0.812 4 L CB 0.929 42.908 42.059 -0.132 0.000 1.264 4 L HN 0.472 nan 8.230 nan 0.000 0.439 5 Y N -0.586 119.771 120.300 0.096 0.000 2.625 5 Y HA 0.472 5.022 4.550 0.000 0.000 0.338 5 Y C -0.813 175.129 175.900 0.071 0.000 1.123 5 Y CA -1.425 56.741 58.100 0.111 0.000 1.046 5 Y CB 1.781 40.344 38.460 0.171 0.000 1.299 5 Y HN 0.658 nan 8.280 nan 0.000 0.464 6 D N -0.825 119.743 120.400 0.280 0.000 2.592 6 D HA 0.605 5.245 4.640 -0.000 0.000 0.263 6 D C 0.570 176.974 176.300 0.174 0.000 1.132 6 D CA -0.438 53.657 54.000 0.158 0.000 0.996 6 D CB 0.969 41.835 40.800 0.110 0.000 1.442 6 D HN 0.616 nan 8.370 nan 0.000 0.486 7 A N 0.301 123.189 122.820 0.114 0.000 1.903 7 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 7 A C 1.794 179.472 177.584 0.155 0.000 1.191 7 A CA 2.042 54.154 52.037 0.126 0.000 0.638 7 A CB -0.864 18.182 19.000 0.077 0.000 0.823 7 A HN 0.585 nan 8.150 nan 0.000 0.451 8 K N -0.027 120.444 120.400 0.118 0.000 2.002 8 K HA -0.128 4.192 4.320 -0.000 0.000 0.209 8 K C 2.485 179.152 176.600 0.113 0.000 1.048 8 K CA 1.735 58.080 56.287 0.096 0.000 0.930 8 K CB -0.300 32.243 32.500 0.073 0.000 0.714 8 K HN 0.681 nan 8.250 nan 0.000 0.438 9 S N 0.841 116.640 115.700 0.165 0.000 2.399 9 S HA -0.168 4.302 4.470 -0.000 0.000 0.231 9 S C 1.926 176.639 174.600 0.190 0.000 1.022 9 S CA 0.831 59.155 58.200 0.206 0.000 0.983 9 S CB -0.552 62.828 63.200 0.301 0.000 0.803 9 S HN 0.289 nan 8.310 nan 0.000 0.480 10 F N 3.098 123.057 119.950 0.015 0.000 2.146 10 F HA 0.162 4.689 4.527 -0.000 0.000 0.298 10 F C 2.551 178.274 175.800 -0.129 0.000 1.096 10 F CA 0.683 58.562 58.000 -0.202 0.000 1.275 10 F CB -0.965 37.924 39.000 -0.187 0.000 1.008 10 F HN 0.270 nan 8.300 nan 0.000 0.480 11 A N 0.253 123.037 122.820 -0.059 0.000 1.933 11 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 11 A C 2.275 179.760 177.584 -0.165 0.000 1.175 11 A CA 1.841 53.797 52.037 -0.136 0.000 0.628 11 A CB -0.672 18.323 19.000 -0.009 0.000 0.814 11 A HN 0.459 nan 8.150 nan 0.000 0.444 12 K N -0.969 119.375 120.400 -0.094 0.000 2.057 12 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 12 K C 1.951 178.487 176.600 -0.106 0.000 1.050 12 K CA 1.304 57.552 56.287 -0.065 0.000 0.935 12 K CB -0.388 32.108 32.500 -0.006 0.000 0.715 12 K HN 0.409 nan 8.250 nan 0.000 0.439 13 L N 1.650 122.771 121.223 -0.171 0.000 2.012 13 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 13 L C 2.165 178.891 176.870 -0.240 0.000 1.073 13 L CA 1.730 56.450 54.840 -0.200 0.000 0.748 13 L CB -0.311 41.558 42.059 -0.317 0.000 0.891 13 L HN 0.043 nan 8.230 nan 0.000 0.431 14 R N -0.084 120.171 120.500 -0.409 0.000 2.081 14 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 14 R C 2.213 178.456 176.300 -0.096 0.000 1.131 14 R CA 1.402 57.320 56.100 -0.305 0.000 0.960 14 R CB -1.198 28.844 30.300 -0.429 0.000 0.856 14 R HN 0.583 nan 8.270 nan 0.000 0.436 15 A N 0.986 123.747 122.820 -0.098 0.000 1.902 15 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 15 A C 2.388 180.011 177.584 0.066 0.000 1.181 15 A CA 1.859 53.883 52.037 -0.022 0.000 0.623 15 A CB -0.561 18.408 19.000 -0.051 0.000 0.818 15 A HN 0.356 nan 8.150 nan 0.000 0.443 16 A N -0.666 122.172 122.820 0.030 0.000 1.902 16 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 16 A C 2.124 179.775 177.584 0.113 0.000 1.181 16 A CA 1.673 53.751 52.037 0.067 0.000 0.623 16 A CB -0.597 18.425 19.000 0.038 0.000 0.818 16 A HN 0.652 nan 8.150 nan 0.000 0.443 17 Q N -2.002 117.847 119.800 0.081 0.000 2.084 17 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 17 Q C 2.017 178.102 176.000 0.142 0.000 0.978 17 Q CA 1.827 57.682 55.803 0.085 0.000 0.844 17 Q CB -0.399 28.351 28.738 0.020 0.000 0.898 17 Q HN 0.815 nan 8.270 nan 0.000 0.426 18 Y N 0.894 121.236 120.300 0.070 0.000 2.165 18 Y HA -0.274 4.276 4.550 -0.000 0.000 0.286 18 Y C 2.220 178.262 175.900 0.236 0.000 1.155 18 Y CA 1.478 59.686 58.100 0.180 0.000 1.164 18 Y CB -0.295 38.239 38.460 0.124 0.000 0.978 18 Y HN 0.105 nan 8.280 nan 0.000 0.513 19 A N 0.178 123.202 122.820 0.341 0.000 1.930 19 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 19 A C 2.369 180.038 177.584 0.141 0.000 1.175 19 A CA 1.429 53.610 52.037 0.240 0.000 0.627 19 A CB -1.401 17.708 19.000 0.182 0.000 0.815 19 A HN 0.567 nan 8.150 nan 0.000 0.443 20 A N -1.745 121.164 122.820 0.148 0.000 2.076 20 A HA -0.035 4.285 4.320 -0.000 0.000 0.220 20 A C 1.882 179.500 177.584 0.057 0.000 1.160 20 A CA 1.740 53.866 52.037 0.148 0.000 0.653 20 A CB -0.504 18.603 19.000 0.178 0.000 0.801 20 A HN 0.758 nan 8.150 nan 0.000 0.455 21 F N -1.819 118.037 119.950 -0.157 0.000 2.490 21 F HA 0.171 4.698 4.527 -0.000 0.000 0.280 21 F C 2.286 177.891 175.800 -0.326 0.000 1.030 21 F CA 0.868 58.687 58.000 -0.301 0.000 1.367 21 F CB 0.041 38.742 39.000 -0.497 0.000 1.131 21 F HN 0.260 nan 8.300 nan 0.000 0.632 22 H N -0.807 118.137 119.070 -0.210 0.000 2.415 22 H HA 0.041 4.597 4.556 -0.000 0.000 0.297 22 H C 1.983 177.223 175.328 -0.147 0.000 1.048 22 H CA 2.029 57.928 56.048 -0.248 0.000 1.365 22 H CB -0.317 29.290 29.762 -0.259 0.000 1.421 22 H HN 0.389 nan 8.280 nan 0.000 0.533 23 T N -2.522 112.067 114.554 0.059 0.000 2.964 23 T HA 0.045 4.395 4.350 -0.000 0.000 0.249 23 T C 0.588 175.298 174.700 0.017 0.000 1.000 23 T CA -0.360 61.769 62.100 0.048 0.000 0.992 23 T CB 0.202 69.130 68.868 0.099 0.000 1.087 23 T HN -0.120 nan 8.240 nan 0.000 0.489 24 D N 2.681 123.093 120.400 0.021 0.000 2.406 24 D HA 0.461 5.101 4.640 -0.000 0.000 0.234 24 D C 0.275 176.579 176.300 0.006 0.000 1.196 24 D CA 0.415 54.434 54.000 0.032 0.000 0.881 24 D CB 0.460 41.304 40.800 0.074 0.000 1.205 24 D HN 0.606 nan 8.370 nan 0.000 0.453 25 A N 2.190 125.025 122.820 0.025 0.000 2.409 25 A HA 0.383 4.704 4.320 -0.000 0.000 0.262 25 A C -2.165 175.436 177.584 0.028 0.000 1.113 25 A CA -1.166 50.882 52.037 0.019 0.000 0.790 25 A CB -0.023 18.995 19.000 0.030 0.000 1.046 25 A HN 0.307 nan 8.150 nan 0.000 0.496 26 P HA 0.150 nan 4.420 nan 0.000 0.260 26 P C 1.110 178.444 177.300 0.058 0.000 1.172 26 P CA 2.166 65.274 63.100 0.012 0.000 0.760 26 P CB 0.476 32.178 31.700 0.005 0.000 0.773 27 G N 2.808 111.662 108.800 0.090 0.000 2.179 27 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 27 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 27 G C 1.333 176.366 174.900 0.222 0.000 0.977 27 G CA 0.613 45.804 45.100 0.151 0.000 0.641 27 G HN 0.558 nan 8.290 nan 0.000 0.533 28 S N -1.136 114.673 115.700 0.182 0.000 2.383 28 S HA -0.109 4.361 4.470 -0.000 0.000 0.227 28 S C 1.873 176.615 174.600 0.236 0.000 1.026 28 S CA 1.468 59.770 58.200 0.171 0.000 0.981 28 S CB -0.485 62.782 63.200 0.111 0.000 0.818 28 S HN 0.784 nan 8.310 nan 0.000 0.472 29 W N 1.780 123.130 121.300 0.083 0.000 2.358 29 W HA -0.128 4.532 4.660 -0.000 0.000 0.303 29 W C 1.903 178.493 176.519 0.118 0.000 1.208 29 W CA 1.047 58.442 57.345 0.083 0.000 1.274 29 W CB -0.807 28.690 29.460 0.061 0.000 1.138 29 W HN 0.372 nan 8.180 nan 0.000 0.515 30 F N 2.319 122.468 119.950 0.333 0.000 2.069 30 F HA -0.271 4.256 4.527 0.000 0.000 0.298 30 F C 2.119 177.978 175.800 0.098 0.000 1.113 30 F CA 2.624 60.741 58.000 0.195 0.000 1.214 30 F CB -0.859 38.214 39.000 0.121 0.000 0.978 30 F HN -0.270 nan 8.300 nan 0.000 0.474 31 D N -0.896 119.564 120.400 0.101 0.000 2.123 31 D HA -0.253 4.387 4.640 -0.000 0.000 0.196 31 D C 2.336 178.560 176.300 -0.127 0.000 0.992 31 D CA 1.689 55.663 54.000 -0.043 0.000 0.833 31 D CB -0.805 40.041 40.800 0.077 0.000 0.954 31 D HN 0.499 nan 8.370 nan 0.000 0.455 32 H N 0.503 119.482 119.070 -0.152 0.000 2.321 32 H HA -0.113 4.443 4.556 -0.000 0.000 0.300 32 H C 1.909 177.067 175.328 -0.283 0.000 1.087 32 H CA 2.391 58.306 56.048 -0.221 0.000 1.319 32 H CB 0.105 29.695 29.762 -0.287 0.000 1.379 32 H HN 0.231 nan 8.280 nan 0.000 0.501 33 T N -1.922 112.432 114.554 -0.335 0.000 2.915 33 T HA -0.059 4.291 4.350 -0.000 0.000 0.269 33 T C 2.328 176.750 174.700 -0.464 0.000 1.071 33 T CA 1.219 63.069 62.100 -0.416 0.000 1.132 33 T CB -0.491 68.206 68.868 -0.286 0.000 0.878 33 T HN 0.151 nan 8.240 nan 0.000 0.479 34 S N 1.309 116.701 115.700 -0.513 0.000 2.382 34 S HA 0.056 4.526 4.470 -0.000 0.000 0.228 34 S C 2.369 176.772 174.600 -0.328 0.000 1.027 34 S CA 1.126 59.049 58.200 -0.462 0.000 0.991 34 S CB -1.052 61.845 63.200 -0.505 0.000 0.823 34 S HN 0.791 nan 8.310 nan 0.000 0.469 35 G N 1.173 109.770 108.800 -0.339 0.000 2.421 35 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 35 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 35 G C 1.461 176.185 174.900 -0.293 0.000 1.171 35 G CA 0.997 45.925 45.100 -0.287 0.000 0.775 35 G HN 0.421 nan 8.290 nan 0.000 0.543 36 V N 0.962 120.637 119.914 -0.397 0.000 2.332 36 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 36 V C 2.920 178.884 176.094 -0.217 0.000 1.055 36 V CA 1.515 63.627 62.300 -0.315 0.000 1.038 36 V CB -0.417 31.189 31.823 -0.361 0.000 0.651 36 V HN 0.338 nan 8.190 nan 0.000 0.450 37 L N -0.397 120.688 121.223 -0.230 0.000 2.093 37 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 37 L C 2.540 179.344 176.870 -0.110 0.000 1.085 37 L CA 1.539 56.287 54.840 -0.154 0.000 0.755 37 L CB -0.586 41.376 42.059 -0.162 0.000 0.904 37 L HN 0.394 nan 8.230 nan 0.000 0.435 38 E N -0.293 119.829 120.200 -0.129 0.000 2.204 38 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 38 E C 2.029 178.583 176.600 -0.076 0.000 0.989 38 E CA 1.317 57.660 56.400 -0.094 0.000 0.824 38 E CB -0.061 29.578 29.700 -0.102 0.000 0.756 38 E HN 0.471 nan 8.360 nan 0.000 0.477 39 S N 0.317 115.963 115.700 -0.090 0.000 2.650 39 S HA 0.053 4.523 4.470 -0.000 0.000 0.219 39 S C 0.774 175.345 174.600 -0.048 0.000 0.960 39 S CA -0.409 57.749 58.200 -0.069 0.000 0.925 39 S CB -0.080 63.070 63.200 -0.083 0.000 0.775 39 S HN -0.109 nan 8.310 nan 0.000 0.525 40 V N 2.468 122.357 119.914 -0.043 0.000 2.775 40 V HA 0.122 4.242 4.120 -0.000 0.000 0.299 40 V C 1.317 177.407 176.094 -0.006 0.000 1.062 40 V CA -0.200 62.088 62.300 -0.020 0.000 1.063 40 V CB 0.856 32.672 31.823 -0.013 0.000 0.994 40 V HN 0.492 nan 8.190 nan 0.000 0.483 41 E N 1.388 121.593 120.200 0.009 0.000 2.526 41 E HA -0.086 4.264 4.350 -0.000 0.000 0.205 41 E C -0.474 176.140 176.600 0.024 0.000 1.104 41 E CA 0.399 56.810 56.400 0.018 0.000 0.899 41 E CB -0.335 29.385 29.700 0.034 0.000 0.838 41 E HN 0.892 nan 8.360 nan 0.000 0.564 42 D N -1.743 118.668 120.400 0.018 0.000 10.484 42 D HA -0.141 4.499 4.640 -0.000 0.000 0.318 42 D C 0.742 177.065 176.300 0.040 0.000 3.002 42 D CA 1.077 55.090 54.000 0.021 0.000 2.679 42 D CB -0.572 40.237 40.800 0.015 0.000 1.149 42 D HN 0.260 nan 8.370 nan 0.000 0.891 43 G N 1.064 109.886 108.800 0.036 0.000 2.184 43 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.264 43 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.264 43 G C 0.524 175.464 174.900 0.067 0.000 0.975 43 G CA 0.682 45.816 45.100 0.057 0.000 0.642 43 G HN 0.795 nan 8.290 nan 0.000 0.536 44 T N 3.242 117.821 114.554 0.041 0.000 2.794 44 T HA 0.482 4.832 4.350 -0.000 0.000 0.296 44 T C -2.149 172.485 174.700 -0.109 0.000 0.949 44 T CA -0.578 61.521 62.100 -0.002 0.000 1.101 44 T CB 1.668 70.555 68.868 0.033 0.000 0.905 44 T HN 0.077 nan 8.240 nan 0.000 0.516 45 P HA 0.091 nan 4.420 nan 0.000 0.267 45 P C 0.697 177.942 177.300 -0.091 0.000 1.205 45 P CA -0.172 62.776 63.100 -0.254 0.000 0.765 45 P CB 0.564 31.989 31.700 -0.458 0.000 0.828 46 V N 1.875 121.793 119.914 0.006 0.000 3.539 46 V HA 0.370 4.490 4.120 -0.000 0.000 0.262 46 V C 0.224 176.427 176.094 0.181 0.000 1.381 46 V CA 0.456 62.837 62.300 0.135 0.000 1.060 46 V CB 0.044 31.993 31.823 0.209 0.000 0.842 46 V HN 0.320 nan 8.190 nan 0.000 0.445 47 L N 1.377 122.616 121.223 0.027 0.000 2.455 47 L HA 0.890 5.230 4.340 -0.000 0.000 0.264 47 L C -1.106 175.709 176.870 -0.093 0.000 0.968 47 L CA -0.301 54.433 54.840 -0.177 0.000 0.827 47 L CB 2.062 43.879 42.059 -0.404 0.000 1.317 47 L HN 0.304 nan 8.230 nan 0.000 0.407 48 A N 5.665 128.386 122.820 -0.165 0.000 2.356 48 A HA 0.787 5.107 4.320 -0.000 0.000 0.310 48 A C -1.487 176.044 177.584 -0.089 0.000 1.075 48 A CA -0.466 51.515 52.037 -0.093 0.000 0.746 48 A CB 1.724 20.647 19.000 -0.128 0.000 1.221 48 A HN 0.708 nan 8.150 nan 0.000 0.443 49 I N 1.487 122.049 120.570 -0.013 0.000 2.769 49 I HA 0.671 4.841 4.170 -0.000 0.000 0.298 49 I C 0.398 176.546 176.117 0.052 0.000 1.128 49 I CA -0.681 60.607 61.300 -0.019 0.000 1.031 49 I CB 2.083 40.040 38.000 -0.073 0.000 1.235 49 I HN 0.776 nan 8.210 nan 0.000 0.423 50 G N 5.760 114.607 108.800 0.079 0.000 2.403 50 G HA2 0.492 4.452 3.960 -0.000 0.000 0.259 50 G HA3 0.492 4.452 3.960 -0.000 0.000 0.259 50 G C -0.259 174.784 174.900 0.240 0.000 1.244 50 G CA -0.318 44.871 45.100 0.150 0.000 0.849 50 G HN 0.620 nan 8.290 nan 0.000 0.532 51 V N 0.702 120.774 119.914 0.265 0.000 3.234 51 V HA 0.479 4.599 4.120 -0.000 0.000 0.317 51 V C 1.494 177.799 176.094 0.353 0.000 1.081 51 V CA -0.387 62.129 62.300 0.359 0.000 1.037 51 V CB 1.435 33.446 31.823 0.313 0.000 1.148 51 V HN 0.855 nan 8.190 nan 0.000 0.453 52 E N 1.060 121.491 120.200 0.386 0.000 2.108 52 E HA -0.282 4.068 4.350 -0.000 0.000 0.203 52 E C 2.086 178.697 176.600 0.019 0.000 1.022 52 E CA 2.531 58.971 56.400 0.068 0.000 0.823 52 E CB -0.180 29.583 29.700 0.105 0.000 0.744 52 E HN 1.032 nan 8.360 nan 0.000 0.456 53 S N -1.753 113.985 115.700 0.063 0.000 2.447 53 S HA -0.008 4.462 4.470 -0.000 0.000 0.233 53 S C 1.639 176.250 174.600 0.019 0.000 1.006 53 S CA 1.125 59.336 58.200 0.017 0.000 0.957 53 S CB 0.337 63.530 63.200 -0.013 0.000 0.773 53 S HN 0.576 nan 8.310 nan 0.000 0.507 54 G N 0.329 109.165 108.800 0.059 0.000 2.255 54 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.196 54 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.196 54 G C -0.278 174.668 174.900 0.076 0.000 0.998 54 G CA 0.008 45.148 45.100 0.066 0.000 0.656 54 G HN 0.513 nan 8.290 nan 0.000 0.490 55 D N 0.828 121.269 120.400 0.068 0.000 2.384 55 D HA 0.664 5.304 4.640 -0.000 0.000 0.244 55 D C 0.670 177.082 176.300 0.185 0.000 1.251 55 D CA 1.012 55.067 54.000 0.092 0.000 0.961 55 D CB 1.206 41.999 40.800 -0.011 0.000 1.116 55 D HN 0.856 nan 8.370 nan 0.000 0.484 56 A N 0.195 123.148 122.820 0.222 0.000 2.401 56 A HA 0.673 4.993 4.320 -0.000 0.000 0.310 56 A C -0.370 177.287 177.584 0.121 0.000 1.075 56 A CA -0.767 51.366 52.037 0.160 0.000 0.746 56 A CB 0.849 19.898 19.000 0.081 0.000 1.277 56 A HN 0.508 nan 8.150 nan 0.000 0.425 57 I N -0.471 120.099 120.570 -0.000 0.000 2.607 57 I HA 0.869 5.039 4.170 -0.000 0.000 0.305 57 I C -0.870 175.100 176.117 -0.245 0.000 0.995 57 I CA -1.055 60.108 61.300 -0.227 0.000 1.148 57 I CB 1.802 39.612 38.000 -0.318 0.000 1.323 57 I HN 0.255 nan 8.210 nan 0.000 0.461 58 V N 3.892 123.548 119.914 -0.429 0.000 2.769 58 V HA 0.566 4.686 4.120 -0.000 0.000 0.312 58 V C -0.705 175.041 176.094 -0.579 0.000 1.061 58 V CA -0.397 61.699 62.300 -0.340 0.000 0.931 58 V CB 1.750 33.423 31.823 -0.250 0.000 1.010 58 V HN 0.596 nan 8.190 nan 0.000 0.433 59 F N 1.246 121.105 119.950 -0.152 0.000 2.593 59 F HA 0.636 5.163 4.527 0.000 0.000 0.320 59 F C 0.058 175.800 175.800 -0.097 0.000 1.060 59 F CA -0.983 56.946 58.000 -0.120 0.000 0.940 59 F CB 1.626 40.557 39.000 -0.114 0.000 1.268 59 F HN 0.691 nan 8.300 nan 0.000 0.475 60 D N -0.612 119.860 120.400 0.121 0.000 2.478 60 D HA 0.240 4.880 4.640 -0.000 0.000 0.263 60 D C 0.655 177.010 176.300 0.090 0.000 1.153 60 D CA -0.804 53.232 54.000 0.060 0.000 1.038 60 D CB 0.571 41.385 40.800 0.024 0.000 1.120 60 D HN 0.612 nan 8.370 nan 0.000 0.564 61 K N -0.531 119.904 120.400 0.059 0.000 2.360 61 K HA -0.172 4.148 4.320 -0.000 0.000 0.201 61 K C 0.196 176.815 176.600 0.033 0.000 1.046 61 K CA 1.254 57.570 56.287 0.049 0.000 0.940 61 K CB -0.650 31.858 32.500 0.014 0.000 0.748 61 K HN 0.386 nan 8.250 nan 0.000 0.465 62 N N 0.505 119.227 118.700 0.037 0.000 2.279 62 N HA 0.229 4.969 4.740 -0.000 0.000 0.226 62 N C -0.516 175.020 175.510 0.042 0.000 1.126 62 N CA 0.236 53.301 53.050 0.025 0.000 0.846 62 N CB 0.912 39.411 38.487 0.019 0.000 1.050 62 N HN 0.341 nan 8.380 nan 0.000 0.502 63 A N 0.718 123.578 122.820 0.067 0.000 2.826 63 A HA -0.278 4.042 4.320 -0.000 0.000 0.274 63 A C 0.319 178.038 177.584 0.226 0.000 1.443 63 A CA 0.902 52.987 52.037 0.081 0.000 0.833 63 A CB -1.894 17.089 19.000 -0.030 0.000 1.023 63 A HN 0.577 nan 8.150 nan 0.000 0.600 64 Q N -0.630 119.287 119.800 0.195 0.000 2.271 64 Q HA 0.513 4.853 4.340 -0.000 0.000 0.258 64 Q C 0.290 176.329 176.000 0.066 0.000 0.936 64 Q CA -0.855 55.025 55.803 0.127 0.000 0.909 64 Q CB 0.798 29.563 28.738 0.047 0.000 1.253 64 Q HN 0.570 nan 8.270 nan 0.000 0.440 65 R N 3.848 124.295 120.500 -0.088 0.000 2.491 65 R HA 0.209 4.549 4.340 -0.000 0.000 0.283 65 R C -0.685 175.439 176.300 -0.292 0.000 1.072 65 R CA 0.014 55.846 56.100 -0.446 0.000 1.048 65 R CB 0.415 30.406 30.300 -0.515 0.000 0.983 65 R HN 0.602 nan 8.270 nan 0.000 0.450 66 I N 5.425 125.794 120.570 -0.335 0.000 2.315 66 I HA 0.037 4.207 4.170 -0.000 0.000 0.291 66 I C 0.952 176.947 176.117 -0.204 0.000 1.006 66 I CA -0.250 60.928 61.300 -0.203 0.000 1.265 66 I CB 1.816 39.707 38.000 -0.181 0.000 1.387 66 I HN 0.561 nan 8.210 nan 0.000 0.475 67 V N 6.580 126.414 119.914 -0.134 0.000 2.825 67 V HA 0.371 4.491 4.120 -0.000 0.000 0.246 67 V C 0.727 176.792 176.094 -0.047 0.000 1.068 67 V CA 0.902 63.130 62.300 -0.120 0.000 1.088 67 V CB 0.548 32.313 31.823 -0.097 0.000 0.733 67 V HN 0.764 nan 8.190 nan 0.000 0.468 68 A N -0.565 122.255 122.820 0.000 0.000 2.427 68 A HA 0.727 5.047 4.320 -0.000 0.000 0.298 68 A C -1.762 175.902 177.584 0.134 0.000 1.036 68 A CA -0.424 51.641 52.037 0.047 0.000 0.701 68 A CB 1.328 20.342 19.000 0.023 0.000 1.250 68 A HN 0.544 nan 8.150 nan 0.000 0.412 69 Y N 1.879 122.161 120.300 -0.029 0.000 2.287 69 Y HA 0.378 4.928 4.550 0.000 0.000 0.321 69 Y C -0.452 175.440 175.900 -0.013 0.000 1.173 69 Y CA -0.432 57.654 58.100 -0.023 0.000 1.124 69 Y CB 1.300 39.742 38.460 -0.030 0.000 1.201 69 Y HN 0.709 nan 8.280 nan 0.000 0.421 70 K N 4.088 124.309 120.400 -0.299 0.000 2.382 70 K HA 0.012 4.332 4.320 -0.000 0.000 0.275 70 K C -0.010 176.459 176.600 -0.219 0.000 1.009 70 K CA -0.126 56.033 56.287 -0.213 0.000 0.970 70 K CB 0.602 32.980 32.500 -0.204 0.000 0.934 70 K HN 0.749 nan 8.250 nan 0.000 0.479 71 E N 2.860 123.028 120.200 -0.053 0.000 2.708 71 E HA -0.185 4.165 4.350 -0.000 0.000 0.260 71 E C -0.809 175.781 176.600 -0.018 0.000 0.937 71 E CA 0.888 57.295 56.400 0.011 0.000 0.953 71 E CB 0.463 30.172 29.700 0.016 0.000 0.915 71 E HN 0.362 nan 8.360 nan 0.000 0.487 72 K N 2.730 123.171 120.400 0.068 0.000 2.535 72 K HA 0.307 4.627 4.320 -0.000 0.000 0.251 72 K C -1.636 175.022 176.600 0.096 0.000 0.942 72 K CA -0.639 55.688 56.287 0.066 0.000 0.798 72 K CB 1.726 34.284 32.500 0.097 0.000 1.267 72 K HN 0.448 nan 8.250 nan 0.000 0.434 73 S N 1.328 117.066 115.700 0.063 0.000 2.664 73 S HA 0.702 5.172 4.470 -0.000 0.000 0.304 73 S C -1.220 173.415 174.600 0.057 0.000 1.099 73 S CA -0.735 57.502 58.200 0.062 0.000 1.003 73 S CB 1.925 65.152 63.200 0.045 0.000 1.092 73 S HN 0.352 nan 8.310 nan 0.000 0.525 74 V N 1.769 121.717 119.914 0.057 0.000 2.711 74 V HA 0.433 4.553 4.120 -0.000 0.000 0.304 74 V C -0.617 175.502 176.094 0.042 0.000 1.097 74 V CA -0.799 61.531 62.300 0.050 0.000 0.906 74 V CB 1.988 33.847 31.823 0.059 0.000 1.015 74 V HN 0.789 nan 8.190 nan 0.000 0.427 75 K N 3.017 123.435 120.400 0.030 0.000 2.213 75 K HA 0.823 5.143 4.320 -0.000 0.000 0.270 75 K C 0.038 176.648 176.600 0.017 0.000 1.002 75 K CA -0.179 56.121 56.287 0.022 0.000 0.868 75 K CB 1.622 34.131 32.500 0.015 0.000 1.093 75 K HN 0.912 nan 8.250 nan 0.000 0.454 76 A N 2.729 125.556 122.820 0.012 0.000 2.239 76 A HA 0.182 4.502 4.320 -0.000 0.000 0.303 76 A C 0.841 178.421 177.584 -0.006 0.000 1.114 76 A CA -0.269 51.771 52.037 0.005 0.000 0.871 76 A CB 0.346 19.346 19.000 -0.000 0.000 1.201 76 A HN 0.974 nan 8.150 nan 0.000 0.506 77 E N -0.682 119.511 120.200 -0.011 0.000 2.204 77 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 77 E C 0.615 177.196 176.600 -0.033 0.000 0.989 77 E CA 1.306 57.696 56.400 -0.016 0.000 0.824 77 E CB -0.176 29.516 29.700 -0.012 0.000 0.756 77 E HN 0.601 nan 8.360 nan 0.000 0.477 78 D N 0.460 120.829 120.400 -0.051 0.000 2.309 78 D HA -0.108 4.532 4.640 -0.000 0.000 0.212 78 D C 1.523 177.797 176.300 -0.043 0.000 0.968 78 D CA 1.635 55.592 54.000 -0.071 0.000 0.882 78 D CB -0.146 40.597 40.800 -0.096 0.000 0.918 78 D HN 0.447 nan 8.370 nan 0.000 0.503 79 G N -0.520 108.264 108.800 -0.026 0.000 2.241 79 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 79 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 79 G C 0.472 175.366 174.900 -0.010 0.000 0.998 79 G CA 0.742 45.833 45.100 -0.015 0.000 0.621 79 G HN 0.704 nan 8.290 nan 0.000 0.519 80 S N -0.205 115.487 115.700 -0.015 0.000 2.593 80 S HA 0.677 5.147 4.470 -0.000 0.000 0.269 80 S C 0.276 174.881 174.600 0.008 0.000 1.334 80 S CA 0.125 58.322 58.200 -0.006 0.000 1.015 80 S CB 2.111 65.302 63.200 -0.015 0.000 0.912 80 S HN 1.929 nan 8.310 nan 0.000 0.541 81 V N -0.684 119.241 119.914 0.019 0.000 2.735 81 V HA 0.884 5.004 4.120 -0.000 0.000 0.310 81 V C -0.257 175.868 176.094 0.051 0.000 1.061 81 V CA -0.601 61.719 62.300 0.033 0.000 0.913 81 V CB 1.406 33.247 31.823 0.031 0.000 1.005 81 V HN 1.196 nan 8.190 nan 0.000 0.428 82 S N 3.271 119.012 115.700 0.070 0.000 2.537 82 S HA 0.922 5.392 4.470 -0.000 0.000 0.301 82 S C -0.625 174.032 174.600 0.095 0.000 1.092 82 S CA -0.695 57.567 58.200 0.104 0.000 1.048 82 S CB 1.640 64.925 63.200 0.142 0.000 1.053 82 S HN 1.289 nan 8.310 nan 0.000 0.501 83 V N 1.955 121.930 119.914 0.100 0.000 2.789 83 V HA 0.683 4.803 4.120 -0.000 0.000 0.311 83 V C -0.786 175.360 176.094 0.086 0.000 1.073 83 V CA -0.709 61.645 62.300 0.090 0.000 0.921 83 V CB 1.870 33.738 31.823 0.075 0.000 1.009 83 V HN 0.877 nan 8.190 nan 0.000 0.426 84 V N 3.578 123.557 119.914 0.109 0.000 2.709 84 V HA 0.656 4.776 4.120 -0.000 0.000 0.308 84 V C -0.653 175.558 176.094 0.195 0.000 1.062 84 V CA -0.435 61.919 62.300 0.090 0.000 0.901 84 V CB 1.779 33.609 31.823 0.011 0.000 1.003 84 V HN 0.960 nan 8.190 nan 0.000 0.425 85 Q N 3.019 122.906 119.800 0.145 0.000 2.280 85 Q HA 0.620 4.960 4.340 -0.000 0.000 0.259 85 Q C -2.308 173.768 176.000 0.127 0.000 0.964 85 Q CA -0.339 55.578 55.803 0.189 0.000 0.844 85 Q CB 2.579 31.385 28.738 0.113 0.000 1.334 85 Q HN 0.586 nan 8.270 nan 0.000 0.423 86 V N 3.247 123.256 119.914 0.159 0.000 2.459 86 V HA 0.565 4.685 4.120 -0.000 0.000 0.295 86 V C -0.597 175.546 176.094 0.081 0.000 1.029 86 V CA -0.538 61.810 62.300 0.080 0.000 0.874 86 V CB 1.706 33.542 31.823 0.022 0.000 0.985 86 V HN 0.781 nan 8.190 nan 0.000 0.438 87 E N 3.839 124.083 120.200 0.074 0.000 2.278 87 E HA 0.380 4.730 4.350 -0.000 0.000 0.272 87 E C -0.036 176.621 176.600 0.096 0.000 0.890 87 E CA -0.580 55.863 56.400 0.072 0.000 0.770 87 E CB 1.092 30.833 29.700 0.068 0.000 1.212 87 E HN 0.740 nan 8.360 nan 0.000 0.415 88 N N 3.317 122.058 118.700 0.068 0.000 2.725 88 N HA -0.243 4.497 4.740 -0.000 0.000 0.249 88 N C 0.488 176.050 175.510 0.087 0.000 1.103 88 N CA 2.097 55.200 53.050 0.089 0.000 0.707 88 N CB -1.128 37.437 38.487 0.130 0.000 1.043 88 N HN 0.948 nan 8.380 nan 0.000 0.553 89 G N -2.909 105.856 108.800 -0.058 0.000 2.176 89 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.253 89 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.253 89 G C 0.010 174.538 174.900 -0.618 0.000 0.979 89 G CA 0.405 45.309 45.100 -0.327 0.000 0.641 89 G HN 0.435 nan 8.290 nan 0.000 0.530 90 F N -0.245 119.677 119.950 -0.047 0.000 2.576 90 F HA 0.678 5.205 4.527 -0.000 0.000 0.313 90 F C 0.551 176.331 175.800 -0.034 0.000 1.078 90 F CA -1.080 56.894 58.000 -0.043 0.000 0.921 90 F CB 1.740 40.727 39.000 -0.021 0.000 1.232 90 F HN 0.083 nan 8.300 nan 0.000 0.459 91 M N 2.926 122.610 119.600 0.139 0.000 2.269 91 M HA 0.069 4.549 4.480 -0.000 0.000 0.350 91 M C 0.286 176.641 176.300 0.092 0.000 1.429 91 M CA 0.358 55.700 55.300 0.070 0.000 1.063 91 M CB 0.737 33.356 32.600 0.032 0.000 1.841 91 M HN 0.698 nan 8.290 nan 0.000 0.455 92 K N 2.583 123.027 120.400 0.073 0.000 2.365 92 K HA 0.251 4.571 4.320 -0.000 0.000 0.195 92 K C -0.435 176.198 176.600 0.056 0.000 1.079 92 K CA 0.895 57.221 56.287 0.066 0.000 0.979 92 K CB 0.764 33.303 32.500 0.065 0.000 0.929 92 K HN 0.739 nan 8.250 nan 0.000 0.523 93 Q N -1.127 118.706 119.800 0.056 0.000 2.309 93 Q HA 0.561 4.901 4.340 -0.000 0.000 0.273 93 Q C -0.759 175.266 176.000 0.043 0.000 1.040 93 Q CA -0.572 55.264 55.803 0.055 0.000 0.834 93 Q CB 2.492 31.267 28.738 0.062 0.000 1.345 93 Q HN 0.247 nan 8.270 nan 0.000 0.414 94 G N 1.302 110.133 108.800 0.052 0.000 2.315 94 G HA2 0.024 3.984 3.960 -0.000 0.000 0.296 94 G HA3 0.024 3.984 3.960 -0.000 0.000 0.296 94 G C -1.682 173.259 174.900 0.069 0.000 1.289 94 G CA -0.640 44.474 45.100 0.023 0.000 0.996 94 G HN 0.812 nan 8.290 nan 0.000 0.487 95 H N -0.686 118.405 119.070 0.034 0.000 2.949 95 H HA 0.737 5.293 4.556 -0.000 0.000 0.356 95 H C -0.352 174.990 175.328 0.023 0.000 1.212 95 H CA -0.919 55.150 56.048 0.035 0.000 1.136 95 H CB 1.169 30.956 29.762 0.042 0.000 1.869 95 H HN 0.690 nan 8.280 nan 0.000 0.556 96 R N 0.058 120.652 120.500 0.158 0.000 2.582 96 R HA 0.459 4.799 4.340 -0.000 0.000 0.271 96 R C 0.313 176.693 176.300 0.133 0.000 1.078 96 R CA 0.578 56.718 56.100 0.067 0.000 1.127 96 R CB 0.825 31.166 30.300 0.068 0.000 1.038 96 R HN 1.009 nan 8.270 nan 0.000 0.500 97 G N 1.251 110.031 108.800 -0.033 0.000 2.466 97 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.316 97 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.316 97 G C -1.464 173.347 174.900 -0.148 0.000 1.270 97 G CA -0.898 44.159 45.100 -0.072 0.000 0.982 97 G HN 0.577 nan 8.290 nan 0.000 0.506 98 W N 0.448 121.812 121.300 0.107 0.000 2.303 98 W HA 0.531 5.191 4.660 -0.000 0.000 0.318 98 W C 1.556 178.124 176.519 0.082 0.000 1.362 98 W CA -0.470 56.919 57.345 0.074 0.000 1.234 98 W CB 0.504 30.017 29.460 0.088 0.000 1.248 98 W HN 0.405 nan 8.180 nan 0.000 0.546 99 L N 3.921 125.274 121.223 0.217 0.000 2.592 99 L HA 0.185 4.525 4.340 -0.000 0.000 0.227 99 L C 0.113 177.067 176.870 0.141 0.000 1.127 99 L CA 0.057 54.943 54.840 0.076 0.000 0.884 99 L CB -0.506 41.516 42.059 -0.063 0.000 1.065 99 L HN 0.159 nan 8.230 nan 0.000 0.457 100 V N -0.843 119.196 119.914 0.207 0.000 2.789 100 V HA 0.215 4.335 4.120 -0.000 0.000 0.311 100 V C -0.872 175.291 176.094 0.115 0.000 1.073 100 V CA -0.877 61.500 62.300 0.127 0.000 0.921 100 V CB 2.797 34.668 31.823 0.081 0.000 1.009 100 V HN -0.059 nan 8.190 nan 0.000 0.426 101 D N 2.919 123.362 120.400 0.071 0.000 2.358 101 D HA 0.267 4.907 4.640 -0.000 0.000 0.258 101 D C 0.584 176.875 176.300 -0.016 0.000 1.223 101 D CA 0.359 54.392 54.000 0.055 0.000 0.886 101 D CB 0.915 41.749 40.800 0.056 0.000 1.120 101 D HN 0.427 nan 8.370 nan 0.000 0.482 102 L N 2.507 123.705 121.223 -0.041 0.000 2.642 102 L HA 0.090 4.430 4.340 -0.000 0.000 0.233 102 L C 2.045 178.889 176.870 -0.043 0.000 1.077 102 L CA 0.446 55.216 54.840 -0.117 0.000 0.879 102 L CB 0.083 41.979 42.059 -0.272 0.000 1.151 102 L HN 0.479 nan 8.230 nan 0.000 0.495 103 T N -3.565 111.013 114.554 0.041 0.000 3.014 103 T HA 0.382 4.732 4.350 -0.000 0.000 0.250 103 T C 1.303 176.019 174.700 0.027 0.000 1.060 103 T CA 0.459 62.607 62.100 0.079 0.000 1.040 103 T CB 0.546 69.561 68.868 0.244 0.000 0.971 103 T HN 0.363 nan 8.240 nan 0.000 0.497 104 G N 3.083 111.911 108.800 0.047 0.000 2.550 104 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.277 104 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.277 104 G C 0.488 175.453 174.900 0.108 0.000 1.190 104 G CA 0.384 45.515 45.100 0.053 0.000 0.971 104 G HN 0.818 nan 8.290 nan 0.000 0.559 105 E N -0.078 120.172 120.200 0.084 0.000 2.463 105 E HA 0.373 4.723 4.350 -0.000 0.000 0.193 105 E C 1.127 177.707 176.600 -0.032 0.000 1.041 105 E CA -0.314 56.122 56.400 0.061 0.000 0.879 105 E CB 0.278 30.039 29.700 0.100 0.000 0.997 105 E HN 0.417 nan 8.360 nan 0.000 0.478 106 L N 3.210 124.452 121.223 0.031 0.000 2.389 106 L HA 0.221 4.561 4.340 -0.000 0.000 0.265 106 L C -0.318 176.656 176.870 0.174 0.000 1.167 106 L CA -0.636 54.256 54.840 0.086 0.000 1.045 106 L CB 0.575 42.684 42.059 0.083 0.000 1.351 106 L HN 0.122 nan 8.230 nan 0.000 0.419 107 V N -0.184 119.779 119.914 0.082 0.000 2.994 107 V HA 0.882 5.002 4.120 -0.000 0.000 0.318 107 V C 0.810 176.947 176.094 0.072 0.000 1.085 107 V CA 0.044 62.407 62.300 0.105 0.000 0.998 107 V CB 1.438 33.307 31.823 0.077 0.000 1.063 107 V HN 0.734 nan 8.190 nan 0.000 0.447 108 G N 0.355 109.192 108.800 0.061 0.000 2.160 108 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.244 108 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.244 108 G C 0.091 174.978 174.900 -0.022 0.000 1.022 108 G CA 0.111 45.224 45.100 0.022 0.000 0.741 108 G HN 1.148 nan 8.290 nan 0.000 0.508 109 C N -0.202 119.062 119.300 -0.059 0.000 2.407 109 C HA 0.839 5.299 4.460 -0.000 0.000 0.366 109 C C 0.942 175.791 174.990 -0.234 0.000 1.213 109 C CA -0.223 58.706 59.018 -0.148 0.000 2.011 109 C CB 1.952 29.556 27.740 -0.227 0.000 2.306 109 C HN 0.506 nan 8.230 nan 0.000 0.527 110 S N 1.673 117.236 115.700 -0.227 0.000 2.060 110 S HA 0.271 4.741 4.470 -0.000 0.000 0.156 110 S C -2.751 171.754 174.600 -0.159 0.000 1.690 110 S CA -0.425 57.655 58.200 -0.199 0.000 1.238 110 S CB 0.078 63.165 63.200 -0.188 0.000 1.150 110 S HN 0.582 nan 8.310 nan 0.000 0.437 111 P HA -0.059 nan 4.420 nan 0.000 0.260 111 P C 0.198 177.432 177.300 -0.110 0.000 1.172 111 P CA 0.118 62.986 63.100 -0.385 0.000 0.760 111 P CB 0.354 31.479 31.700 -0.958 0.000 0.773 112 V N 5.708 125.588 119.914 -0.056 0.000 2.557 112 V HA -0.058 4.062 4.120 -0.000 0.000 0.301 112 V C 1.190 177.276 176.094 -0.013 0.000 1.026 112 V CA 0.713 62.956 62.300 -0.095 0.000 1.137 112 V CB 0.799 32.454 31.823 -0.280 0.000 0.917 112 V HN 0.421 nan 8.190 nan 0.000 0.484 113 V N 6.214 126.138 119.914 0.018 0.000 3.431 113 V HA 0.675 4.795 4.120 -0.000 0.000 0.253 113 V C 0.716 176.820 176.094 0.016 0.000 1.184 113 V CA 1.183 63.495 62.300 0.021 0.000 1.104 113 V CB 0.225 32.050 31.823 0.003 0.000 0.799 113 V HN 1.384 nan 8.190 nan 0.000 0.462 114 A N -0.408 122.439 122.820 0.045 0.000 2.490 114 A HA 0.659 4.979 4.320 -0.000 0.000 0.292 114 A C -1.191 176.472 177.584 0.131 0.000 1.047 114 A CA -0.334 51.736 52.037 0.056 0.000 0.632 114 A CB 1.022 20.028 19.000 0.010 0.000 1.323 114 A HN 0.231 nan 8.150 nan 0.000 0.448 115 E N -0.273 120.013 120.200 0.143 0.000 2.292 115 E HA 0.711 5.061 4.350 -0.000 0.000 0.272 115 E C -2.070 174.704 176.600 0.290 0.000 0.881 115 E CA -0.443 56.076 56.400 0.197 0.000 0.754 115 E CB 1.697 31.440 29.700 0.071 0.000 1.201 115 E HN 1.007 nan 8.360 nan 0.000 0.425 116 F N 2.324 122.372 119.950 0.164 0.000 2.650 116 F HA 0.456 4.983 4.527 -0.000 0.000 0.310 116 F C 0.472 176.359 175.800 0.144 0.000 1.112 116 F CA 0.317 58.380 58.000 0.104 0.000 0.986 116 F CB 1.946 40.956 39.000 0.016 0.000 1.285 116 F HN 0.618 nan 8.300 nan 0.000 0.440 117 G N 2.620 110.948 108.800 -0.787 0.000 2.269 117 G HA2 0.111 4.071 3.960 -0.000 0.000 0.277 117 G HA3 0.111 4.071 3.960 -0.000 0.000 0.277 117 G C 1.167 175.885 174.900 -0.303 0.000 1.008 117 G CA 1.181 45.949 45.100 -0.553 0.000 0.774 117 G HN 2.418 nan 8.290 nan 0.000 0.511 118 G N -2.038 106.603 108.800 -0.264 0.000 2.141 118 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.242 118 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.242 118 G C 0.031 174.629 174.900 -0.503 0.000 0.982 118 G CA 0.693 45.583 45.100 -0.350 0.000 0.662 118 G HN 1.330 nan 8.290 nan 0.000 0.527 119 H N -0.287 118.721 119.070 -0.103 0.000 2.637 119 H HA 0.493 5.049 4.556 -0.000 0.000 0.363 119 H C 0.280 175.537 175.328 -0.119 0.000 1.131 119 H CA -0.669 55.242 56.048 -0.228 0.000 1.183 119 H CB 1.290 30.692 29.762 -0.600 0.000 1.637 119 H HN 0.220 nan 8.280 nan 0.000 0.531 120 R N 1.936 122.392 120.500 -0.075 0.000 2.349 120 R HA 0.312 4.652 4.340 -0.000 0.000 0.299 120 R C -0.851 175.371 176.300 -0.130 0.000 1.027 120 R CA -0.409 55.616 56.100 -0.126 0.000 0.958 120 R CB 0.876 30.902 30.300 -0.457 0.000 1.047 120 R HN 0.467 nan 8.270 nan 0.000 0.468 121 Y N 0.218 120.555 120.300 0.062 0.000 2.429 121 Y HA 0.457 5.007 4.550 -0.000 0.000 0.342 121 Y C 0.358 176.347 175.900 0.148 0.000 1.004 121 Y CA -0.756 57.431 58.100 0.146 0.000 1.075 121 Y CB 2.049 40.558 38.460 0.083 0.000 1.214 121 Y HN 0.625 nan 8.280 nan 0.000 0.455 122 A N 1.598 124.612 122.820 0.324 0.000 2.279 122 A HA 0.634 4.954 4.320 -0.000 0.000 0.303 122 A C 0.091 177.730 177.584 0.093 0.000 1.108 122 A CA -0.425 51.742 52.037 0.218 0.000 0.830 122 A CB 0.232 19.303 19.000 0.118 0.000 1.106 122 A HN 0.775 nan 8.150 nan 0.000 0.493 123 S N 0.198 115.907 115.700 0.015 0.000 2.671 123 S HA 0.827 5.297 4.470 -0.000 0.000 0.272 123 S C 0.729 175.310 174.600 -0.032 0.000 1.174 123 S CA 0.176 58.364 58.200 -0.020 0.000 1.004 123 S CB 0.646 63.809 63.200 -0.062 0.000 1.077 123 S HN 2.698 nan 8.310 nan 0.000 0.553 124 G N 0.009 108.798 108.800 -0.019 0.000 2.451 124 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.208 124 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.208 124 G C -0.697 174.200 174.900 -0.004 0.000 1.248 124 G CA -0.192 44.901 45.100 -0.011 0.000 0.989 124 G HN 1.128 nan 8.290 nan 0.000 0.559 125 M N 0.297 119.893 119.600 -0.007 0.000 2.300 125 M HA 0.691 5.171 4.480 -0.000 0.000 0.348 125 M C -0.706 175.589 176.300 -0.009 0.000 1.151 125 M CA -0.829 54.467 55.300 -0.007 0.000 1.046 125 M CB 1.773 34.372 32.600 -0.003 0.000 1.647 125 M HN 0.626 nan 8.290 nan 0.000 0.451 126 V N 6.620 126.527 119.914 -0.012 0.000 2.407 126 V HA 0.455 4.575 4.120 -0.000 0.000 0.291 126 V C -0.304 175.782 176.094 -0.013 0.000 1.018 126 V CA -0.598 61.695 62.300 -0.012 0.000 0.842 126 V CB 1.442 33.254 31.823 -0.020 0.000 0.996 126 V HN 0.794 nan 8.190 nan 0.000 0.426 127 I N 4.883 125.453 120.570 0.000 0.000 2.331 127 I HA 0.394 4.564 4.170 -0.000 0.000 0.292 127 I C -0.447 175.681 176.117 0.019 0.000 0.998 127 I CA -0.643 60.665 61.300 0.014 0.000 1.267 127 I CB 1.949 39.965 38.000 0.027 0.000 1.386 127 I HN 0.290 nan 8.210 nan 0.000 0.476 128 V N 6.148 126.071 119.914 0.015 0.000 2.328 128 V HA 0.429 4.549 4.120 -0.000 0.000 0.278 128 V C 0.139 176.300 176.094 0.111 0.000 1.021 128 V CA -0.039 62.281 62.300 0.033 0.000 0.838 128 V CB 1.205 32.980 31.823 -0.080 0.000 0.999 128 V HN 0.886 nan 8.190 nan 0.000 0.447 129 T N 2.888 117.549 114.554 0.179 0.000 2.587 129 T HA 0.886 5.236 4.350 -0.000 0.000 0.282 129 T C -0.273 174.531 174.700 0.174 0.000 1.018 129 T CA 0.279 62.476 62.100 0.162 0.000 1.120 129 T CB 1.617 70.540 68.868 0.092 0.000 1.538 129 T HN 1.646 nan 8.240 nan 0.000 0.480 130 G N 1.056 109.906 108.800 0.083 0.000 2.406 130 G HA2 0.220 4.180 3.960 -0.000 0.000 0.680 130 G HA3 0.220 4.180 3.960 -0.000 0.000 0.680 130 G C -1.502 173.398 174.900 0.000 0.000 1.338 130 G CA -0.435 44.676 45.100 0.019 0.000 0.941 130 G HN 0.640 nan 8.290 nan 0.000 0.633 131 K N 0.442 120.824 120.400 -0.030 0.000 2.358 131 K HA 0.733 5.053 4.320 -0.000 0.000 0.260 131 K C 0.486 177.054 176.600 -0.054 0.000 0.956 131 K CA 0.186 56.458 56.287 -0.026 0.000 0.834 131 K CB 1.280 33.770 32.500 -0.018 0.000 1.102 131 K HN 1.910 nan 8.250 nan 0.000 0.431 132 G N 1.987 110.758 108.800 -0.047 0.000 2.336 132 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.286 132 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.286 132 G C -0.419 174.457 174.900 -0.040 0.000 1.269 132 G CA -0.647 44.415 45.100 -0.064 0.000 0.873 132 G HN 0.503 nan 8.290 nan 0.000 0.494 133 N N 0.153 118.827 118.700 -0.045 0.000 2.290 133 N HA 0.037 4.777 4.740 -0.000 0.000 0.179 133 N C 1.147 176.677 175.510 0.033 0.000 1.016 133 N CA 0.818 53.865 53.050 -0.005 0.000 0.871 133 N CB -0.129 38.356 38.487 -0.003 0.000 0.987 133 N HN 0.373 nan 8.380 nan 0.000 0.431 134 S N 0.692 116.383 115.700 -0.016 0.000 2.546 134 S HA 0.202 4.672 4.470 -0.000 0.000 0.290 134 S C 0.815 175.565 174.600 0.249 0.000 1.262 134 S CA -0.416 57.835 58.200 0.084 0.000 1.083 134 S CB 0.469 63.521 63.200 -0.247 0.000 0.859 134 S HN 0.293 nan 8.310 nan 0.000 0.495 135 G N 2.611 111.624 108.800 0.355 0.000 2.403 135 G HA2 0.295 4.255 3.960 -0.000 0.000 0.259 135 G HA3 0.295 4.255 3.960 -0.000 0.000 0.259 135 G C 0.486 175.605 174.900 0.365 0.000 1.244 135 G CA -0.625 44.662 45.100 0.312 0.000 0.849 135 G HN 0.590 nan 8.290 nan 0.000 0.532 136 K N 1.094 121.657 120.400 0.271 0.000 2.116 136 K HA 0.007 4.327 4.320 -0.000 0.000 0.203 136 K C 2.747 179.378 176.600 0.053 0.000 1.052 136 K CA 1.264 57.648 56.287 0.162 0.000 0.952 136 K CB -0.306 32.281 32.500 0.146 0.000 0.729 136 K HN 0.469 nan 8.250 nan 0.000 0.446 137 T N 1.512 116.132 114.554 0.110 0.000 2.684 137 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 137 T C -1.032 173.773 174.700 0.175 0.000 1.036 137 T CA 1.483 63.669 62.100 0.142 0.000 1.148 137 T CB -0.869 68.106 68.868 0.178 0.000 0.863 137 T HN 0.125 nan 8.240 nan 0.000 0.436 138 P HA 0.005 nan 4.420 nan 0.000 0.218 138 P C 1.664 178.956 177.300 -0.014 0.000 1.149 138 P CA 0.456 63.647 63.100 0.151 0.000 0.817 138 P CB -0.111 31.757 31.700 0.281 0.000 0.785 139 L N 0.404 121.542 121.223 -0.142 0.000 2.056 139 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 139 L C 2.090 178.734 176.870 -0.376 0.000 1.078 139 L CA 2.088 56.684 54.840 -0.407 0.000 0.749 139 L CB -1.207 40.338 42.059 -0.857 0.000 0.901 139 L HN -0.059 nan 8.230 nan 0.000 0.433 140 V N -2.768 116.966 119.914 -0.300 0.000 2.407 140 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 140 V C 2.536 178.373 176.094 -0.427 0.000 1.055 140 V CA 1.491 63.583 62.300 -0.346 0.000 1.049 140 V CB -1.264 30.381 31.823 -0.297 0.000 0.662 140 V HN 0.446 nan 8.190 nan 0.000 0.455 141 H N 0.914 119.841 119.070 -0.238 0.000 2.389 141 H HA 0.136 4.692 4.556 0.000 0.000 0.299 141 H C 2.494 177.589 175.328 -0.389 0.000 1.081 141 H CA 1.829 57.709 56.048 -0.279 0.000 1.345 141 H CB -0.119 29.615 29.762 -0.046 0.000 1.393 141 H HN 0.584 nan 8.280 nan 0.000 0.520 142 A N 0.873 123.571 122.820 -0.204 0.000 1.929 142 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 142 A C 2.431 179.768 177.584 -0.412 0.000 1.176 142 A CA 0.867 52.749 52.037 -0.257 0.000 0.628 142 A CB -0.560 18.303 19.000 -0.228 0.000 0.816 142 A HN 0.257 nan 8.150 nan 0.000 0.444 143 L N 0.012 120.961 121.223 -0.458 0.000 2.156 143 L HA 0.063 4.403 4.340 -0.000 0.000 0.208 143 L C 2.357 178.876 176.870 -0.586 0.000 1.095 143 L CA 1.878 56.402 54.840 -0.527 0.000 0.770 143 L CB -0.910 40.874 42.059 -0.458 0.000 0.914 143 L HN 0.308 nan 8.230 nan 0.000 0.439 144 G N -1.235 107.150 108.800 -0.691 0.000 2.421 144 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 144 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 144 G C 1.506 175.934 174.900 -0.786 0.000 1.171 144 G CA 0.636 45.189 45.100 -0.911 0.000 0.775 144 G HN 0.398 nan 8.290 nan 0.000 0.543 145 E N 1.114 120.882 120.200 -0.719 0.000 2.077 145 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 145 E C 2.830 179.253 176.600 -0.294 0.000 0.989 145 E CA 1.178 57.438 56.400 -0.234 0.000 0.800 145 E CB -0.359 29.294 29.700 -0.079 0.000 0.746 145 E HN 0.266 nan 8.360 nan 0.000 0.452 146 A N 1.347 123.856 122.820 -0.519 0.000 1.877 146 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 146 A C 2.443 179.656 177.584 -0.620 0.000 1.186 146 A CA 1.318 52.858 52.037 -0.829 0.000 0.620 146 A CB -0.703 17.348 19.000 -1.582 0.000 0.822 146 A HN 0.308 nan 8.150 nan 0.000 0.443 147 L N -0.797 120.105 121.223 -0.534 0.000 2.291 147 L HA -0.034 4.306 4.340 -0.000 0.000 0.214 147 L C 2.712 179.460 176.870 -0.204 0.000 1.120 147 L CA 0.720 55.350 54.840 -0.350 0.000 0.799 147 L CB -0.782 41.059 42.059 -0.364 0.000 0.925 147 L HN 0.501 nan 8.230 nan 0.000 0.446 148 G N -0.287 108.402 108.800 -0.185 0.000 2.422 148 G HA2 0.069 4.029 3.960 -0.000 0.000 0.218 148 G HA3 0.069 4.029 3.960 -0.000 0.000 0.218 148 G C 1.292 176.163 174.900 -0.049 0.000 1.146 148 G CA 0.854 45.908 45.100 -0.076 0.000 0.769 148 G HN 0.515 nan 8.290 nan 0.000 0.547 149 G N 0.552 109.317 108.800 -0.057 0.000 2.677 149 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.321 149 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.321 149 G C 1.268 176.176 174.900 0.013 0.000 1.181 149 G CA 1.040 46.136 45.100 -0.006 0.000 0.965 149 G HN 0.526 nan 8.290 nan 0.000 0.548 150 K N 1.405 121.817 120.400 0.019 0.000 2.305 150 K HA 0.122 4.442 4.320 -0.000 0.000 0.199 150 K C 0.113 176.726 176.600 0.021 0.000 1.047 150 K CA 0.864 57.165 56.287 0.023 0.000 0.976 150 K CB 0.034 32.550 32.500 0.027 0.000 0.765 150 K HN 0.478 nan 8.250 nan 0.000 0.474 151 D N 1.121 121.531 120.400 0.017 0.000 2.277 151 D HA 0.164 4.804 4.640 -0.000 0.000 0.250 151 D C -0.197 176.114 176.300 0.018 0.000 1.032 151 D CA -0.279 53.733 54.000 0.020 0.000 0.947 151 D CB 1.258 42.069 40.800 0.018 0.000 1.159 151 D HN -0.148 nan 8.370 nan 0.000 0.460 152 K N 0.326 120.726 120.400 -0.000 0.000 2.126 152 K HA 0.250 4.570 4.320 -0.000 0.000 0.257 152 K C -0.347 176.226 176.600 -0.045 0.000 1.007 152 K CA -0.517 55.740 56.287 -0.051 0.000 0.928 152 K CB 0.624 33.046 32.500 -0.130 0.000 1.013 152 K HN 0.429 nan 8.250 nan 0.000 0.473 153 Y N -1.410 118.812 120.300 -0.130 0.000 2.457 153 Y HA 0.654 5.204 4.550 -0.000 0.000 0.333 153 Y C -0.560 175.209 175.900 -0.219 0.000 1.119 153 Y CA -1.463 56.536 58.100 -0.167 0.000 1.143 153 Y CB 0.973 39.344 38.460 -0.148 0.000 1.230 153 Y HN 0.483 nan 8.280 nan 0.000 0.469 154 A N 1.739 124.459 122.820 -0.166 0.000 2.306 154 A HA 0.676 4.996 4.320 -0.000 0.000 0.314 154 A C -0.561 176.990 177.584 -0.055 0.000 1.164 154 A CA -0.616 51.257 52.037 -0.273 0.000 0.822 154 A CB 0.312 19.091 19.000 -0.368 0.000 1.130 154 A HN 0.808 nan 8.150 nan 0.000 0.496 155 T N 2.051 116.556 114.554 -0.082 0.000 2.786 155 T HA 0.472 4.822 4.350 -0.000 0.000 0.283 155 T C -0.590 174.103 174.700 -0.011 0.000 0.992 155 T CA -0.248 61.860 62.100 0.015 0.000 0.954 155 T CB 1.035 69.957 68.868 0.089 0.000 0.934 155 T HN 0.399 nan 8.240 nan 0.000 0.440 156 V N 5.154 125.079 119.914 0.020 0.000 2.370 156 V HA 0.445 4.565 4.120 -0.000 0.000 0.279 156 V C 0.334 176.488 176.094 0.099 0.000 1.029 156 V CA -0.772 61.559 62.300 0.051 0.000 0.870 156 V CB 1.045 32.911 31.823 0.073 0.000 0.984 156 V HN 0.694 nan 8.190 nan 0.000 0.451 157 R N 4.084 124.596 120.500 0.020 0.000 2.346 157 R HA 0.667 5.007 4.340 -0.000 0.000 0.311 157 R C -1.325 175.063 176.300 0.146 0.000 0.983 157 R CA -0.461 55.583 56.100 -0.092 0.000 0.880 157 R CB 1.841 31.718 30.300 -0.705 0.000 1.100 157 R HN 0.588 nan 8.270 nan 0.000 0.453 158 F N 0.187 120.200 119.950 0.106 0.000 2.615 158 F HA 0.364 4.891 4.527 0.000 0.000 0.312 158 F C 0.303 176.154 175.800 0.085 0.000 1.119 158 F CA -0.392 57.617 58.000 0.014 0.000 0.979 158 F CB 1.964 40.666 39.000 -0.497 0.000 1.266 158 F HN 0.714 nan 8.300 nan 0.000 0.444 159 G N 3.229 111.594 108.800 -0.726 0.000 2.323 159 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.292 159 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.292 159 G C -0.515 174.162 174.900 -0.372 0.000 1.040 159 G CA 0.669 45.335 45.100 -0.723 0.000 0.942 159 G HN 0.730 nan 8.290 nan 0.000 0.506 160 E N -0.394 119.597 120.200 -0.349 0.000 2.266 160 E HA 0.578 4.928 4.350 -0.000 0.000 0.268 160 E C -2.023 174.304 176.600 -0.455 0.000 0.879 160 E CA -2.295 53.791 56.400 -0.523 0.000 0.762 160 E CB 1.922 31.049 29.700 -0.955 0.000 1.199 160 E HN -0.010 nan 8.360 nan 0.000 0.422 161 P HA 0.120 nan 4.420 nan 0.000 0.228 161 P C -0.922 176.271 177.300 -0.179 0.000 1.748 161 P CA -0.034 62.952 63.100 -0.190 0.000 0.909 161 P CB -0.114 31.506 31.700 -0.133 0.000 1.882 162 L N 0.316 121.396 121.223 -0.237 0.000 2.301 162 L HA 0.392 4.732 4.340 -0.000 0.000 0.264 162 L C 0.823 177.744 176.870 0.086 0.000 1.016 162 L CA -1.135 53.641 54.840 -0.106 0.000 0.821 162 L CB 1.532 43.477 42.059 -0.189 0.000 1.346 162 L HN 0.029 nan 8.230 nan 0.000 0.429 163 S N -0.407 115.358 115.700 0.109 0.000 2.560 163 S HA 0.403 4.873 4.470 -0.000 0.000 0.284 163 S C 1.048 175.757 174.600 0.181 0.000 1.327 163 S CA 0.202 58.472 58.200 0.117 0.000 1.055 163 S CB 0.541 63.782 63.200 0.068 0.000 0.868 163 S HN 1.472 nan 8.310 nan 0.000 0.506 164 G N 1.189 110.063 108.800 0.122 0.000 2.189 164 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.267 164 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.267 164 G C -0.144 174.799 174.900 0.073 0.000 0.975 164 G CA 0.502 45.649 45.100 0.079 0.000 0.644 164 G HN 0.841 nan 8.290 nan 0.000 0.537 165 Y N 0.918 121.231 120.300 0.022 0.000 2.359 165 Y HA 0.401 4.951 4.550 -0.000 0.000 0.334 165 Y C 0.891 176.819 175.900 0.046 0.000 1.058 165 Y CA -0.185 57.934 58.100 0.031 0.000 1.244 165 Y CB 0.747 39.204 38.460 -0.005 0.000 1.187 165 Y HN 0.306 nan 8.280 nan 0.000 0.510 166 N N 1.037 119.840 118.700 0.172 0.000 2.530 166 N HA 0.062 4.802 4.740 -0.000 0.000 0.273 166 N C 0.360 176.029 175.510 0.265 0.000 1.173 166 N CA 0.314 53.488 53.050 0.207 0.000 0.967 166 N CB 0.830 39.448 38.487 0.219 0.000 1.109 166 N HN 0.673 nan 8.380 nan 0.000 0.453 167 T N -1.678 113.004 114.554 0.214 0.000 3.111 167 T HA 0.152 4.502 4.350 -0.000 0.000 0.284 167 T C -0.247 174.657 174.700 0.339 0.000 0.983 167 T CA -0.535 61.631 62.100 0.110 0.000 0.900 167 T CB -0.209 68.649 68.868 -0.017 0.000 1.132 167 T HN 0.453 nan 8.240 nan 0.000 0.531 168 D N 0.808 121.448 120.400 0.400 0.000 2.317 168 D HA 0.226 4.866 4.640 -0.000 0.000 0.234 168 D C 0.463 177.007 176.300 0.407 0.000 1.112 168 D CA -0.797 53.416 54.000 0.355 0.000 0.840 168 D CB 0.936 41.869 40.800 0.221 0.000 1.078 168 D HN 0.062 nan 8.370 nan 0.000 0.486 169 F N 4.943 125.067 119.950 0.290 0.000 2.120 169 F HA -0.269 4.258 4.527 -0.000 0.000 0.300 169 F C 1.658 177.523 175.800 0.109 0.000 1.095 169 F CA 1.516 59.600 58.000 0.141 0.000 1.249 169 F CB 0.092 39.200 39.000 0.180 0.000 0.995 169 F HN 0.383 nan 8.300 nan 0.000 0.480 170 N N 0.069 118.899 118.700 0.216 0.000 2.244 170 N HA -0.128 4.612 4.740 -0.000 0.000 0.183 170 N C 1.991 177.499 175.510 -0.002 0.000 1.016 170 N CA 1.445 54.556 53.050 0.102 0.000 0.866 170 N CB -0.585 38.011 38.487 0.182 0.000 0.980 170 N HN 0.250 nan 8.380 nan 0.000 0.430 171 V N 0.827 120.764 119.914 0.038 0.000 2.548 171 V HA -0.144 3.976 4.120 -0.000 0.000 0.249 171 V C 1.925 177.995 176.094 -0.041 0.000 1.055 171 V CA 0.864 63.180 62.300 0.027 0.000 1.065 171 V CB -0.613 31.260 31.823 0.083 0.000 0.681 171 V HN 0.135 nan 8.190 nan 0.000 0.462 172 F N 1.837 121.579 119.950 -0.348 0.000 2.102 172 F HA -0.181 4.346 4.527 0.000 0.000 0.298 172 F C 2.317 177.801 175.800 -0.527 0.000 1.105 172 F CA 2.158 59.814 58.000 -0.574 0.000 1.239 172 F CB -0.604 37.666 39.000 -1.216 0.000 0.991 172 F HN 0.115 nan 8.300 nan 0.000 0.474 173 V N -1.841 117.638 119.914 -0.725 0.000 2.626 173 V HA -0.195 3.925 4.120 -0.000 0.000 0.252 173 V C 2.171 178.021 176.094 -0.406 0.000 1.067 173 V CA 2.169 64.069 62.300 -0.666 0.000 1.081 173 V CB -0.940 30.612 31.823 -0.453 0.000 0.686 173 V HN 0.447 nan 8.190 nan 0.000 0.468 174 D N 0.737 120.993 120.400 -0.240 0.000 2.097 174 D HA -0.203 4.437 4.640 -0.000 0.000 0.197 174 D C 1.746 177.898 176.300 -0.247 0.000 0.984 174 D CA 1.758 55.691 54.000 -0.111 0.000 0.826 174 D CB -0.022 40.792 40.800 0.023 0.000 0.973 174 D HN 0.485 nan 8.370 nan 0.000 0.460 175 D N 0.451 120.712 120.400 -0.233 0.000 2.144 175 D HA -0.103 4.537 4.640 -0.000 0.000 0.199 175 D C 2.281 178.409 176.300 -0.286 0.000 0.984 175 D CA 0.459 54.337 54.000 -0.205 0.000 0.834 175 D CB -0.189 40.535 40.800 -0.127 0.000 0.955 175 D HN 0.397 nan 8.370 nan 0.000 0.465 176 I N 1.060 121.364 120.570 -0.443 0.000 2.202 176 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 176 I C 2.511 178.400 176.117 -0.379 0.000 1.091 176 I CA 0.887 61.924 61.300 -0.438 0.000 1.368 176 I CB -0.242 37.380 38.000 -0.629 0.000 1.058 176 I HN -0.083 nan 8.210 nan 0.000 0.410 177 A N 1.040 123.561 122.820 -0.498 0.000 1.883 177 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 177 A C 2.449 179.719 177.584 -0.524 0.000 1.186 177 A CA 2.029 53.688 52.037 -0.631 0.000 0.624 177 A CB -0.723 17.593 19.000 -1.140 0.000 0.822 177 A HN 0.377 nan 8.150 nan 0.000 0.444 178 R N -0.358 119.851 120.500 -0.484 0.000 2.081 178 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 178 R C 2.270 178.506 176.300 -0.106 0.000 1.131 178 R CA 1.582 57.520 56.100 -0.270 0.000 0.960 178 R CB -0.463 29.729 30.300 -0.180 0.000 0.856 178 R HN 0.421 nan 8.270 nan 0.000 0.436 179 A N 1.010 123.784 122.820 -0.077 0.000 1.877 179 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 179 A C 2.238 179.875 177.584 0.089 0.000 1.186 179 A CA 1.737 53.811 52.037 0.061 0.000 0.620 179 A CB -0.457 18.539 19.000 -0.006 0.000 0.822 179 A HN 0.397 nan 8.150 nan 0.000 0.443 180 M N -0.927 118.688 119.600 0.024 0.000 2.319 180 M HA 0.005 4.485 4.480 -0.000 0.000 0.265 180 M C 1.898 178.340 176.300 0.237 0.000 1.068 180 M CA 0.968 56.351 55.300 0.139 0.000 1.118 180 M CB -0.353 32.313 32.600 0.110 0.000 1.395 180 M HN 0.347 nan 8.290 nan 0.000 0.435 181 L N -0.519 120.779 121.223 0.125 0.000 2.240 181 L HA -0.144 4.196 4.340 -0.000 0.000 0.211 181 L C 1.943 178.843 176.870 0.050 0.000 1.106 181 L CA 1.085 56.009 54.840 0.140 0.000 0.793 181 L CB -0.110 41.972 42.059 0.038 0.000 0.927 181 L HN 0.374 nan 8.230 nan 0.000 0.446 182 Q N -2.172 117.614 119.800 -0.023 0.000 2.214 182 Q HA 0.207 4.547 4.340 -0.000 0.000 0.229 182 Q C -0.384 175.321 176.000 -0.492 0.000 0.835 182 Q CA 0.040 55.689 55.803 -0.258 0.000 0.953 182 Q CB 1.102 29.592 28.738 -0.413 0.000 1.131 182 Q HN 0.414 nan 8.270 nan 0.000 0.501 183 H N -1.097 118.090 119.070 0.195 0.000 2.895 183 H HA 0.299 4.855 4.556 0.000 0.000 0.373 183 H C 0.003 175.229 175.328 -0.170 0.000 1.174 183 H CA -0.538 55.549 56.048 0.065 0.000 1.144 183 H CB 1.853 31.608 29.762 -0.011 0.000 1.793 183 H HN -0.078 nan 8.280 nan 0.000 0.551 184 R N 0.855 121.036 120.500 -0.532 0.000 2.100 184 R HA 0.121 4.461 4.340 -0.000 0.000 0.220 184 R C -0.187 175.900 176.300 -0.356 0.000 1.091 184 R CA 0.637 56.145 56.100 -0.986 0.000 0.986 184 R CB 0.485 30.068 30.300 -1.195 0.000 0.888 184 R HN 0.224 nan 8.270 nan 0.000 0.444 185 V N 2.294 122.098 119.914 -0.184 0.000 2.378 185 V HA 0.383 4.503 4.120 -0.000 0.000 0.288 185 V C -0.484 175.591 176.094 -0.032 0.000 1.016 185 V CA -0.573 61.663 62.300 -0.107 0.000 0.840 185 V CB 1.667 33.428 31.823 -0.105 0.000 0.994 185 V HN 0.103 nan 8.190 nan 0.000 0.431 186 I N 4.726 125.271 120.570 -0.042 0.000 2.545 186 I HA 0.592 4.762 4.170 -0.000 0.000 0.292 186 I C -0.728 175.361 176.117 -0.046 0.000 1.040 186 I CA -0.975 60.314 61.300 -0.017 0.000 1.068 186 I CB 2.429 40.421 38.000 -0.013 0.000 1.251 186 I HN 0.245 nan 8.210 nan 0.000 0.424 187 V N 6.710 126.611 119.914 -0.021 0.000 2.448 187 V HA 0.466 4.586 4.120 -0.000 0.000 0.295 187 V C -0.174 175.905 176.094 -0.025 0.000 1.025 187 V CA -0.451 61.800 62.300 -0.082 0.000 0.859 187 V CB 2.086 33.804 31.823 -0.175 0.000 0.988 187 V HN 0.470 nan 8.190 nan 0.000 0.431 188 I N 3.981 124.551 120.570 -0.001 0.000 2.354 188 I HA 0.336 4.506 4.170 -0.000 0.000 0.286 188 I C -0.625 175.552 176.117 0.100 0.000 1.007 188 I CA -0.326 61.035 61.300 0.103 0.000 1.167 188 I CB 1.555 39.655 38.000 0.168 0.000 1.320 188 I HN 0.525 nan 8.210 nan 0.000 0.458 189 D N 5.938 126.420 120.400 0.136 0.000 2.396 189 D HA 0.258 4.898 4.640 -0.000 0.000 0.225 189 D C -0.353 176.070 176.300 0.205 0.000 1.121 189 D CA 0.443 54.536 54.000 0.154 0.000 0.853 189 D CB 0.804 41.730 40.800 0.210 0.000 1.043 189 D HN 0.497 nan 8.370 nan 0.000 0.500 190 S N 3.342 119.127 115.700 0.141 0.000 3.225 190 S HA -0.131 4.339 4.470 -0.000 0.000 0.812 190 S C 0.392 175.070 174.600 0.131 0.000 0.610 190 S CA -0.439 57.823 58.200 0.104 0.000 1.518 190 S CB -1.131 62.100 63.200 0.053 0.000 1.023 190 S HN 0.601 nan 8.310 nan 0.000 0.891 191 L N 3.291 124.590 121.223 0.127 0.000 2.611 191 L HA 0.173 4.513 4.340 -0.000 0.000 0.229 191 L C 1.463 178.411 176.870 0.131 0.000 1.137 191 L CA 0.181 55.121 54.840 0.167 0.000 0.901 191 L CB -0.163 41.986 42.059 0.150 0.000 1.098 191 L HN 0.638 nan 8.230 nan 0.000 0.456 192 K N 0.173 120.613 120.400 0.067 0.000 2.188 192 K HA -0.067 4.253 4.320 -0.000 0.000 0.246 192 K C 0.652 177.266 176.600 0.023 0.000 1.026 192 K CA 0.295 56.595 56.287 0.021 0.000 0.871 192 K CB 0.492 32.970 32.500 -0.037 0.000 1.042 192 K HN 0.122 nan 8.250 nan 0.000 0.509 193 N N -1.807 116.893 118.700 0.000 0.000 2.858 193 N HA -0.271 4.469 4.740 -0.000 0.000 0.221 193 N C 0.241 175.828 175.510 0.129 0.000 0.175 193 N CA 1.683 54.747 53.050 0.024 0.000 4.001 193 N CB -1.636 36.803 38.487 -0.081 0.000 0.946 193 N HN 0.471 nan 8.380 nan 0.000 0.234 194 V N 3.234 123.297 119.914 0.247 0.000 3.096 194 V HA 0.380 4.500 4.120 -0.000 0.000 0.306 194 V C 1.389 177.582 176.094 0.165 0.000 1.088 194 V CA 0.159 62.614 62.300 0.259 0.000 1.129 194 V CB -0.099 31.969 31.823 0.410 0.000 1.014 194 V HN 0.399 nan 8.190 nan 0.000 0.486 208 S N 5.801 121.465 115.700 -0.060 0.000 2.584 208 S HA 0.333 4.803 4.470 -0.000 0.000 0.270 208 S C 1.191 175.763 174.600 -0.047 0.000 1.346 208 S CA -0.197 57.948 58.200 -0.090 0.000 1.018 208 S CB 1.206 64.295 63.200 -0.186 0.000 0.899 208 S HN 0.688 nan 8.310 nan 0.000 0.542 209 R N 1.302 121.785 120.500 -0.030 0.000 2.096 209 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 209 R C 2.545 178.895 176.300 0.083 0.000 1.127 209 R CA 1.354 57.482 56.100 0.046 0.000 0.968 209 R CB -1.117 29.201 30.300 0.030 0.000 0.861 209 R HN 0.878 nan 8.270 nan 0.000 0.440 210 G N 0.712 109.497 108.800 -0.024 0.000 2.421 210 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.216 210 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.216 210 G C 1.548 176.456 174.900 0.014 0.000 1.171 210 G CA 0.794 45.904 45.100 0.018 0.000 0.775 210 G HN 0.408 nan 8.290 nan 0.000 0.543 211 A N 0.258 122.908 122.820 -0.284 0.000 1.902 211 A HA 0.037 4.357 4.320 -0.000 0.000 0.217 211 A C 2.194 179.862 177.584 0.140 0.000 1.181 211 A CA 1.636 53.644 52.037 -0.048 0.000 0.623 211 A CB -0.560 18.373 19.000 -0.111 0.000 0.818 211 A HN 0.392 nan 8.150 nan 0.000 0.443 212 F N 1.153 121.105 119.950 0.004 0.000 2.146 212 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 212 F C 1.797 177.631 175.800 0.057 0.000 1.096 212 F CA 1.937 59.956 58.000 0.031 0.000 1.275 212 F CB -0.135 38.871 39.000 0.010 0.000 1.008 212 F HN 0.234 nan 8.300 nan 0.000 0.480 213 D N 0.424 120.895 120.400 0.118 0.000 2.097 213 D HA -0.185 4.455 4.640 -0.000 0.000 0.195 213 D C 2.536 178.832 176.300 -0.006 0.000 0.989 213 D CA 1.012 55.039 54.000 0.045 0.000 0.827 213 D CB -0.686 40.190 40.800 0.126 0.000 0.966 213 D HN 0.239 nan 8.370 nan 0.000 0.456 214 L N 0.982 122.257 121.223 0.086 0.000 2.012 214 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 214 L C 2.286 179.161 176.870 0.009 0.000 1.073 214 L CA 1.332 56.222 54.840 0.082 0.000 0.748 214 L CB -0.811 41.396 42.059 0.245 0.000 0.891 214 L HN 0.076 nan 8.230 nan 0.000 0.431 215 L N 0.310 121.523 121.223 -0.015 0.000 2.127 215 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 215 L C 2.562 179.351 176.870 -0.135 0.000 1.089 215 L CA 2.282 57.084 54.840 -0.064 0.000 0.757 215 L CB -0.613 41.393 42.059 -0.088 0.000 0.899 215 L HN 0.523 nan 8.230 nan 0.000 0.434 216 S N -3.198 112.366 115.700 -0.227 0.000 2.556 216 S HA 0.111 4.581 4.470 -0.000 0.000 0.216 216 S C 1.135 175.677 174.600 -0.096 0.000 0.970 216 S CA 0.117 58.197 58.200 -0.199 0.000 0.912 216 S CB -0.115 62.886 63.200 -0.331 0.000 0.790 216 S HN 0.433 nan 8.310 nan 0.000 0.504 217 D N 1.457 121.816 120.400 -0.069 0.000 2.525 217 D HA 0.262 4.902 4.640 -0.000 0.000 0.248 217 D C 1.708 177.990 176.300 -0.029 0.000 1.000 217 D CA 0.064 54.044 54.000 -0.034 0.000 0.923 217 D CB -0.318 40.462 40.800 -0.033 0.000 1.101 217 D HN 0.313 nan 8.370 nan 0.000 0.493 218 I N 1.550 122.095 120.570 -0.041 0.000 2.185 218 I HA -0.255 3.915 4.170 -0.000 0.000 0.246 218 I C 2.096 178.211 176.117 -0.004 0.000 1.088 218 I CA 1.740 63.017 61.300 -0.038 0.000 1.347 218 I CB -0.039 37.934 38.000 -0.045 0.000 1.041 218 I HN 0.014 nan 8.210 nan 0.000 0.415 219 G N -0.219 108.580 108.800 -0.002 0.000 2.421 219 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.216 219 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.216 219 G C 1.720 176.640 174.900 0.034 0.000 1.171 219 G CA 0.718 45.823 45.100 0.009 0.000 0.775 219 G HN 0.567 nan 8.290 nan 0.000 0.543 220 A N 0.445 123.292 122.820 0.046 0.000 1.930 220 A HA 0.097 4.417 4.320 -0.000 0.000 0.217 220 A C 2.465 180.153 177.584 0.173 0.000 1.175 220 A CA 1.690 53.779 52.037 0.088 0.000 0.627 220 A CB -0.331 18.721 19.000 0.086 0.000 0.815 220 A HN 0.384 nan 8.150 nan 0.000 0.443 221 M N -0.432 119.264 119.600 0.161 0.000 2.086 221 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 221 M C 2.558 179.121 176.300 0.439 0.000 1.067 221 M CA 1.631 57.106 55.300 0.292 0.000 1.116 221 M CB -0.436 32.155 32.600 -0.014 0.000 1.348 221 M HN 0.466 nan 8.290 nan 0.000 0.407 222 A N 0.280 123.230 122.820 0.218 0.000 1.877 222 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 222 A C 2.365 180.029 177.584 0.133 0.000 1.186 222 A CA 1.909 54.055 52.037 0.181 0.000 0.620 222 A CB -1.027 18.023 19.000 0.083 0.000 0.822 222 A HN 0.503 nan 8.150 nan 0.000 0.443 223 A N -0.712 122.149 122.820 0.068 0.000 1.972 223 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 223 A C 2.412 179.960 177.584 -0.059 0.000 1.169 223 A CA 2.012 54.020 52.037 -0.049 0.000 0.635 223 A CB -0.742 18.218 19.000 -0.068 0.000 0.810 223 A HN 0.441 nan 8.150 nan 0.000 0.446 224 S N -0.916 114.856 115.700 0.120 0.000 2.383 224 S HA -0.118 4.352 4.470 -0.000 0.000 0.227 224 S C 2.091 176.804 174.600 0.188 0.000 1.026 224 S CA 1.557 59.867 58.200 0.184 0.000 0.981 224 S CB -0.227 63.110 63.200 0.228 0.000 0.818 224 S HN 0.657 nan 8.310 nan 0.000 0.472 225 R N 0.832 121.407 120.500 0.126 0.000 2.119 225 R HA 0.095 4.435 4.340 -0.000 0.000 0.222 225 R C 1.301 177.791 176.300 0.316 0.000 1.088 225 R CA 1.384 57.532 56.100 0.081 0.000 0.984 225 R CB -0.396 30.024 30.300 0.200 0.000 0.884 225 R HN 0.399 nan 8.270 nan 0.000 0.447 226 G N -0.890 108.039 108.800 0.215 0.000 2.144 226 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 226 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 226 G C 0.202 175.248 174.900 0.244 0.000 0.988 226 G CA 0.085 45.295 45.100 0.183 0.000 0.659 226 G HN 0.582 nan 8.290 nan 0.000 0.522 227 C N -0.903 118.530 119.300 0.221 0.000 2.349 227 C HA 0.918 5.378 4.460 -0.000 0.000 0.361 227 C C 0.703 175.705 174.990 0.020 0.000 1.189 227 C CA -0.944 58.120 59.018 0.077 0.000 2.155 227 C CB 1.791 29.614 27.740 0.139 0.000 2.336 227 C HN 1.026 nan 8.230 nan 0.000 0.540 228 V N 2.036 121.929 119.914 -0.036 0.000 2.495 228 V HA 0.665 4.785 4.120 -0.000 0.000 0.298 228 V C -0.632 175.437 176.094 -0.041 0.000 1.031 228 V CA -0.238 62.042 62.300 -0.034 0.000 0.871 228 V CB 1.785 33.578 31.823 -0.050 0.000 0.988 228 V HN 0.906 nan 8.190 nan 0.000 0.432 229 V N 8.385 128.281 119.914 -0.029 0.000 2.328 229 V HA 0.480 4.600 4.120 -0.000 0.000 0.278 229 V C -0.004 176.062 176.094 -0.046 0.000 1.021 229 V CA -0.334 61.946 62.300 -0.034 0.000 0.838 229 V CB 1.363 33.174 31.823 -0.020 0.000 0.999 229 V HN 0.717 nan 8.190 nan 0.000 0.447 230 I N 4.908 125.433 120.570 -0.076 0.000 2.306 230 I HA 0.633 4.803 4.170 -0.000 0.000 0.288 230 I C 0.471 176.543 176.117 -0.075 0.000 1.036 230 I CA -0.125 61.114 61.300 -0.100 0.000 1.221 230 I CB 1.178 39.069 38.000 -0.180 0.000 1.385 230 I HN 0.636 nan 8.210 nan 0.000 0.472 231 A N 4.896 127.695 122.820 -0.034 0.000 2.318 231 A HA 0.698 5.018 4.320 -0.000 0.000 0.324 231 A C 0.102 177.693 177.584 0.011 0.000 1.170 231 A CA -0.551 51.492 52.037 0.010 0.000 0.810 231 A CB 1.046 20.080 19.000 0.057 0.000 1.198 231 A HN 0.682 nan 8.150 nan 0.000 0.484 232 S N 1.489 117.202 115.700 0.021 0.000 2.562 232 S HA 0.661 5.131 4.470 -0.000 0.000 0.275 232 S C -0.616 174.021 174.600 0.061 0.000 1.281 232 S CA -0.459 57.761 58.200 0.033 0.000 1.045 232 S CB 1.139 64.358 63.200 0.033 0.000 0.962 232 S HN 1.460 nan 8.310 nan 0.000 0.503 233 L N 2.396 123.660 121.223 0.067 0.000 2.555 233 L HA 0.551 4.891 4.340 -0.000 0.000 0.264 233 L C -1.674 175.236 176.870 0.066 0.000 0.972 233 L CA -0.438 54.442 54.840 0.067 0.000 0.876 233 L CB 1.338 43.436 42.059 0.066 0.000 1.216 233 L HN 0.762 nan 8.230 nan 0.000 0.415 234 N N 6.377 125.109 118.700 0.055 0.000 2.444 234 N HA 0.471 5.211 4.740 -0.000 0.000 0.271 234 N C -2.177 173.355 175.510 0.036 0.000 1.069 234 N CA -1.181 51.898 53.050 0.049 0.000 0.965 234 N CB 1.148 39.658 38.487 0.037 0.000 1.092 234 N HN 0.441 nan 8.380 nan 0.000 0.476 235 P HA 0.013 nan 4.420 nan 0.000 0.261 235 P C 0.167 177.477 177.300 0.017 0.000 1.650 235 P CA 0.051 63.166 63.100 0.025 0.000 0.846 235 P CB -0.173 31.541 31.700 0.023 0.000 1.758 236 T N -0.005 114.557 114.554 0.015 0.000 2.217 236 T HA -0.210 4.140 4.350 -0.000 0.000 0.206 236 T C 1.013 175.715 174.700 0.004 0.000 1.634 236 T CA 1.460 63.564 62.100 0.006 0.000 1.183 236 T CB -1.045 67.823 68.868 0.001 0.000 0.861 236 T HN 0.363 nan 8.240 nan 0.000 0.392 237 S N 1.629 117.331 115.700 0.003 0.000 2.593 237 S HA -0.043 4.427 4.470 -0.000 0.000 0.300 237 S C 0.632 175.235 174.600 0.004 0.000 1.267 237 S CA -0.077 58.124 58.200 0.002 0.000 1.065 237 S CB -0.374 62.828 63.200 0.003 0.000 0.807 237 S HN 0.447 nan 8.310 nan 0.000 0.499 238 N N 3.125 121.826 118.700 0.002 0.000 2.378 238 N HA 0.044 4.784 4.740 -0.000 0.000 0.243 238 N C -1.004 174.508 175.510 0.003 0.000 1.137 238 N CA -0.164 52.888 53.050 0.002 0.000 0.862 238 N CB 0.194 38.681 38.487 -0.000 0.000 1.116 238 N HN 0.609 nan 8.380 nan 0.000 0.499 239 D N 1.491 121.894 120.400 0.004 0.000 2.365 239 D HA -0.031 4.609 4.640 -0.000 0.000 0.237 239 D C 1.219 177.523 176.300 0.008 0.000 1.190 239 D CA -0.496 53.507 54.000 0.005 0.000 0.867 239 D CB 0.570 41.373 40.800 0.005 0.000 1.050 239 D HN 0.217 nan 8.370 nan 0.000 0.491 240 D N 3.668 124.072 120.400 0.007 0.000 2.401 240 D HA -0.307 4.333 4.640 -0.000 0.000 0.217 240 D C 1.189 177.496 176.300 0.012 0.000 0.978 240 D CA 0.928 54.933 54.000 0.009 0.000 0.951 240 D CB 0.025 40.829 40.800 0.007 0.000 0.879 240 D HN 0.680 nan 8.370 nan 0.000 0.497 241 K N 1.203 121.611 120.400 0.012 0.000 2.262 241 K HA -0.015 4.305 4.320 -0.000 0.000 0.200 241 K C 2.434 179.048 176.600 0.022 0.000 1.049 241 K CA 0.788 57.084 56.287 0.015 0.000 0.979 241 K CB -0.317 32.190 32.500 0.011 0.000 0.773 241 K HN 0.407 nan 8.250 nan 0.000 0.474 242 I N -2.411 118.172 120.570 0.022 0.000 4.035 242 I HA 0.111 4.281 4.170 -0.000 0.000 0.321 242 I C 1.374 177.508 176.117 0.028 0.000 1.289 242 I CA -0.260 61.058 61.300 0.029 0.000 1.236 242 I CB 0.515 38.531 38.000 0.027 0.000 1.076 242 I HN -0.193 nan 8.210 nan 0.000 0.418 243 V N 1.685 121.612 119.914 0.022 0.000 2.626 243 V HA -0.161 3.959 4.120 -0.000 0.000 0.252 243 V C 2.491 178.598 176.094 0.022 0.000 1.067 243 V CA 2.022 64.334 62.300 0.020 0.000 1.081 243 V CB -0.690 31.142 31.823 0.014 0.000 0.686 243 V HN 0.426 nan 8.190 nan 0.000 0.468 244 E N -0.068 120.147 120.200 0.024 0.000 2.318 244 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 244 E C 1.741 178.362 176.600 0.035 0.000 0.998 244 E CA 0.298 56.714 56.400 0.026 0.000 0.859 244 E CB -0.072 29.643 29.700 0.025 0.000 0.812 244 E HN 0.436 nan 8.360 nan 0.000 0.492 245 L N -0.572 120.676 121.223 0.041 0.000 2.313 245 L HA 0.026 4.366 4.340 -0.000 0.000 0.214 245 L C 1.665 178.565 176.870 0.049 0.000 1.119 245 L CA 1.047 55.920 54.840 0.054 0.000 0.809 245 L CB -0.048 42.049 42.059 0.063 0.000 0.933 245 L HN 0.023 nan 8.230 nan 0.000 0.449 246 V N -0.535 119.404 119.914 0.041 0.000 2.446 246 V HA -0.157 3.963 4.120 -0.000 0.000 0.244 246 V C 2.394 178.507 176.094 0.032 0.000 1.039 246 V CA 1.490 63.813 62.300 0.038 0.000 1.045 246 V CB -0.514 31.330 31.823 0.035 0.000 0.681 246 V HN 0.393 nan 8.190 nan 0.000 0.459 247 K N -0.054 120.363 120.400 0.028 0.000 2.288 247 K HA -0.171 4.149 4.320 -0.000 0.000 0.201 247 K C 2.067 178.680 176.600 0.022 0.000 1.048 247 K CA 1.185 57.486 56.287 0.022 0.000 0.956 247 K CB 0.047 32.558 32.500 0.018 0.000 0.746 247 K HN 0.374 nan 8.250 nan 0.000 0.461 248 E N 1.373 121.590 120.200 0.028 0.000 2.060 248 E HA -0.035 4.315 4.350 -0.000 0.000 0.189 248 E C 1.833 178.446 176.600 0.023 0.000 0.974 248 E CA 1.240 57.657 56.400 0.029 0.000 0.808 248 E CB -0.144 29.581 29.700 0.042 0.000 0.768 248 E HN 0.186 nan 8.360 nan 0.000 0.453 249 A N 0.150 122.986 122.820 0.026 0.000 1.883 249 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 249 A C 2.439 180.032 177.584 0.015 0.000 1.186 249 A CA 2.166 54.214 52.037 0.019 0.000 0.624 249 A CB -0.866 18.153 19.000 0.031 0.000 0.822 249 A HN 0.307 nan 8.150 nan 0.000 0.444 250 S N -1.013 114.699 115.700 0.020 0.000 2.368 250 S HA -0.135 4.335 4.470 -0.000 0.000 0.224 250 S C 2.091 176.695 174.600 0.007 0.000 1.029 250 S CA 1.282 59.491 58.200 0.016 0.000 0.988 250 S CB -0.311 62.902 63.200 0.021 0.000 0.838 250 S HN 0.659 nan 8.310 nan 0.000 0.462 251 R N 0.956 121.460 120.500 0.008 0.000 2.062 251 R HA 0.012 4.352 4.340 -0.000 0.000 0.231 251 R C 1.727 178.026 176.300 -0.002 0.000 1.136 251 R CA 1.732 57.834 56.100 0.003 0.000 0.948 251 R CB -0.193 30.111 30.300 0.007 0.000 0.845 251 R HN 0.294 nan 8.270 nan 0.000 0.430 252 S N 0.061 115.762 115.700 0.001 0.000 2.502 252 S HA 0.168 4.638 4.470 -0.000 0.000 0.215 252 S C 0.758 175.352 174.600 -0.010 0.000 1.009 252 S CA -0.233 57.966 58.200 -0.002 0.000 0.908 252 S CB 0.454 63.657 63.200 0.005 0.000 0.801 252 S HN 0.372 nan 8.310 nan 0.000 0.505 253 N N 1.415 120.107 118.700 -0.012 0.000 2.236 253 N HA 0.218 4.958 4.740 -0.000 0.000 0.196 253 N C -0.515 174.986 175.510 -0.015 0.000 1.114 253 N CA 0.147 53.185 53.050 -0.021 0.000 0.859 253 N CB 0.715 39.183 38.487 -0.032 0.000 0.982 253 N HN 0.130 nan 8.380 nan 0.000 0.493 254 S N -0.526 115.167 115.700 -0.012 0.000 2.501 254 S HA 0.305 4.775 4.470 -0.000 0.000 0.301 254 S C 1.087 175.673 174.600 -0.024 0.000 1.096 254 S CA -0.547 57.646 58.200 -0.013 0.000 1.063 254 S CB 2.428 65.624 63.200 -0.007 0.000 1.042 254 S HN 0.049 nan 8.310 nan 0.000 0.494 255 T N 1.779 116.316 114.554 -0.028 0.000 2.937 255 T HA 0.119 4.469 4.350 -0.000 0.000 0.260 255 T C 0.482 175.148 174.700 -0.056 0.000 1.051 255 T CA 0.702 62.773 62.100 -0.048 0.000 1.141 255 T CB 0.105 68.945 68.868 -0.047 0.000 0.879 255 T HN 0.492 nan 8.240 nan 0.000 0.459 256 S N -0.150 115.530 115.700 -0.035 0.000 2.588 256 S HA 0.702 5.172 4.470 -0.000 0.000 0.275 256 S C -1.489 173.101 174.600 -0.017 0.000 1.130 256 S CA -0.775 57.406 58.200 -0.032 0.000 0.855 256 S CB 2.283 65.480 63.200 -0.005 0.000 1.116 256 S HN 0.213 nan 8.310 nan 0.000 0.472 257 L N 2.159 123.371 121.223 -0.019 0.000 2.386 257 L HA 0.747 5.087 4.340 -0.000 0.000 0.271 257 L C -1.683 175.192 176.870 0.007 0.000 0.993 257 L CA -0.721 54.118 54.840 -0.001 0.000 0.819 257 L CB 1.800 43.858 42.059 -0.002 0.000 1.294 257 L HN 0.473 nan 8.230 nan 0.000 0.414 258 V N 5.545 125.483 119.914 0.040 0.000 2.409 258 V HA 0.444 4.564 4.120 -0.000 0.000 0.290 258 V C -0.217 176.007 176.094 0.216 0.000 1.017 258 V CA -0.445 61.907 62.300 0.086 0.000 0.841 258 V CB 1.616 33.446 31.823 0.011 0.000 1.003 258 V HN 0.586 nan 8.190 nan 0.000 0.426 259 I N 2.282 122.993 120.570 0.235 0.000 2.569 259 I HA 0.837 5.007 4.170 -0.000 0.000 0.296 259 I C 0.388 176.575 176.117 0.118 0.000 1.028 259 I CA -0.510 60.916 61.300 0.210 0.000 1.082 259 I CB 2.451 40.491 38.000 0.066 0.000 1.264 259 I HN 0.557 nan 8.210 nan 0.000 0.429 260 S N 3.169 118.747 115.700 -0.202 0.000 2.593 260 S HA 0.547 5.017 4.470 -0.000 0.000 0.269 260 S C 0.320 174.688 174.600 -0.386 0.000 1.334 260 S CA 0.021 57.764 58.200 -0.762 0.000 1.015 260 S CB 1.133 63.718 63.200 -1.025 0.000 0.912 260 S HN 0.915 nan 8.310 nan 0.000 0.541 261 T N -1.943 112.374 114.554 -0.396 0.000 2.804 261 T HA 0.464 4.814 4.350 -0.000 0.000 0.272 261 T C 0.091 174.674 174.700 -0.196 0.000 0.986 261 T CA -0.268 61.702 62.100 -0.216 0.000 0.999 261 T CB 0.647 69.423 68.868 -0.153 0.000 1.307 261 T HN 0.577 nan 8.240 nan 0.000 0.586 262 D N -0.456 119.870 120.400 -0.123 0.000 2.349 262 D HA 0.105 4.745 4.640 -0.000 0.000 0.224 262 D C 0.393 176.641 176.300 -0.086 0.000 1.029 262 D CA -0.046 53.897 54.000 -0.096 0.000 0.879 262 D CB -0.490 40.272 40.800 -0.063 0.000 0.906 262 D HN 0.306 nan 8.370 nan 0.000 0.528 263 V N 1.711 121.567 119.914 -0.097 0.000 2.394 263 V HA 0.103 4.223 4.120 -0.000 0.000 0.282 263 V C 0.058 176.096 176.094 -0.094 0.000 1.031 263 V CA -1.005 61.253 62.300 -0.069 0.000 0.881 263 V CB 1.473 33.270 31.823 -0.044 0.000 0.982 263 V HN 0.017 nan 8.190 nan 0.000 0.451 264 D N 3.995 124.362 120.400 -0.056 0.000 2.487 264 D HA 0.250 4.890 4.640 -0.000 0.000 0.243 264 D C 1.268 177.556 176.300 -0.020 0.000 1.154 264 D CA 1.699 55.675 54.000 -0.040 0.000 0.876 264 D CB 1.213 42.020 40.800 0.012 0.000 1.161 264 D HN 0.994 nan 8.370 nan 0.000 0.478 265 G N 2.734 111.515 108.800 -0.031 0.000 2.205 265 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.261 265 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.261 265 G C 0.384 175.323 174.900 0.066 0.000 0.980 265 G CA 0.454 45.584 45.100 0.049 0.000 0.632 265 G HN 0.596 nan 8.290 nan 0.000 0.533 266 E N -0.326 119.820 120.200 -0.090 0.000 2.216 266 E HA 0.555 4.905 4.350 -0.000 0.000 0.279 266 E C -0.592 175.876 176.600 -0.220 0.000 0.997 266 E CA -1.034 55.346 56.400 -0.034 0.000 0.817 266 E CB 0.635 30.312 29.700 -0.038 0.000 1.096 266 E HN 0.294 nan 8.360 nan 0.000 0.393 267 W N 1.808 123.090 121.300 -0.031 0.000 2.950 267 W HA 0.348 5.008 4.660 -0.000 0.000 0.340 267 W C -0.555 175.926 176.519 -0.064 0.000 1.139 267 W CA -0.639 56.680 57.345 -0.043 0.000 1.188 267 W CB 1.587 31.019 29.460 -0.047 0.000 1.426 267 W HN 0.409 nan 8.180 nan 0.000 0.531 268 Q N 1.184 121.076 119.800 0.153 0.000 2.333 268 Q HA 0.650 4.990 4.340 -0.000 0.000 0.267 268 Q C -1.419 174.558 176.000 -0.039 0.000 1.012 268 Q CA -0.601 55.209 55.803 0.011 0.000 0.824 268 Q CB 1.979 30.710 28.738 -0.011 0.000 1.290 268 Q HN 0.379 nan 8.270 nan 0.000 0.449 269 V N 5.101 124.879 119.914 -0.227 0.000 2.370 269 V HA 0.396 4.516 4.120 -0.000 0.000 0.283 269 V C -0.702 175.249 176.094 -0.238 0.000 1.023 269 V CA -0.761 61.370 62.300 -0.282 0.000 0.857 269 V CB 1.343 32.798 31.823 -0.614 0.000 0.985 269 V HN 0.646 nan 8.190 nan 0.000 0.443 270 L N 4.708 125.856 121.223 -0.124 0.000 2.325 270 L HA 0.638 4.978 4.340 -0.000 0.000 0.281 270 L C 0.102 176.916 176.870 -0.094 0.000 1.004 270 L CA 0.095 54.877 54.840 -0.096 0.000 0.823 270 L CB 1.509 43.532 42.059 -0.060 0.000 1.236 270 L HN 0.803 nan 8.230 nan 0.000 0.415 271 T N 2.914 117.397 114.554 -0.117 0.000 2.861 271 T HA 0.545 4.895 4.350 -0.000 0.000 0.287 271 T C -0.171 174.397 174.700 -0.219 0.000 1.003 271 T CA -0.781 61.228 62.100 -0.151 0.000 0.977 271 T CB 1.394 70.169 68.868 -0.156 0.000 0.996 271 T HN 0.574 nan 8.240 nan 0.000 0.448 272 R N 3.245 123.619 120.500 -0.209 0.000 2.216 272 R HA 0.294 4.634 4.340 -0.000 0.000 0.332 272 R C 1.554 177.626 176.300 -0.379 0.000 1.056 272 R CA -0.062 55.902 56.100 -0.226 0.000 0.901 272 R CB 0.663 30.876 30.300 -0.144 0.000 1.039 272 R HN 0.907 nan 8.270 nan 0.000 0.456 273 T N -0.788 113.470 114.554 -0.492 0.000 3.113 273 T HA 0.210 4.560 4.350 -0.000 0.000 0.256 273 T C 0.893 175.337 174.700 -0.427 0.000 1.131 273 T CA 0.275 61.900 62.100 -0.793 0.000 1.074 273 T CB 0.346 68.669 68.868 -0.909 0.000 0.944 273 T HN 0.709 nan 8.240 nan 0.000 0.516 274 G N 0.424 109.078 108.800 -0.244 0.000 2.352 274 G HA2 0.237 4.197 3.960 -0.000 0.000 0.302 274 G HA3 0.237 4.197 3.960 -0.000 0.000 0.302 274 G C -1.667 173.188 174.900 -0.075 0.000 1.370 274 G CA -0.988 44.030 45.100 -0.136 0.000 0.918 274 G HN 0.292 nan 8.290 nan 0.000 0.610 275 E N 0.148 120.323 120.200 -0.042 0.000 2.498 275 E HA 0.368 4.718 4.350 -0.000 0.000 0.252 275 E C 1.496 178.100 176.600 0.008 0.000 1.025 275 E CA 1.356 57.750 56.400 -0.009 0.000 0.938 275 E CB -0.271 29.434 29.700 0.010 0.000 0.947 275 E HN 2.202 nan 8.360 nan 0.000 0.478 276 G N 3.586 112.397 108.800 0.018 0.000 2.189 276 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.267 276 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.267 276 G C 0.026 174.944 174.900 0.030 0.000 0.975 276 G CA 0.436 45.558 45.100 0.038 0.000 0.644 276 G HN 0.424 nan 8.290 nan 0.000 0.537 277 L N 0.121 121.348 121.223 0.008 0.000 2.469 277 L HA 0.513 4.853 4.340 -0.000 0.000 0.253 277 L C 1.194 178.061 176.870 -0.005 0.000 1.143 277 L CA -0.478 54.374 54.840 0.020 0.000 0.804 277 L CB 0.260 42.323 42.059 0.006 0.000 1.214 277 L HN 0.342 nan 8.230 nan 0.000 0.476 278 Q N 0.358 120.166 119.800 0.013 0.000 2.373 278 Q HA 0.230 4.570 4.340 -0.000 0.000 0.255 278 Q C -0.265 175.698 176.000 -0.063 0.000 0.980 278 Q CA -0.107 55.694 55.803 -0.004 0.000 0.882 278 Q CB 0.733 29.491 28.738 0.034 0.000 1.249 278 Q HN 0.280 nan 8.270 nan 0.000 0.438 279 R N 3.010 123.476 120.500 -0.057 0.000 2.221 279 R HA 0.321 4.661 4.340 -0.000 0.000 0.327 279 R C -0.944 175.316 176.300 -0.067 0.000 1.033 279 R CA -0.207 55.841 56.100 -0.086 0.000 0.887 279 R CB 0.315 30.577 30.300 -0.063 0.000 1.057 279 R HN 0.551 nan 8.270 nan 0.000 0.455 280 L N 2.208 123.375 121.223 -0.094 0.000 2.358 280 L HA 0.543 4.883 4.340 -0.000 0.000 0.268 280 L C 0.305 177.151 176.870 -0.039 0.000 1.032 280 L CA -0.744 54.071 54.840 -0.041 0.000 0.805 280 L CB 1.934 43.981 42.059 -0.020 0.000 1.253 280 L HN 0.627 nan 8.230 nan 0.000 0.452 281 T N 0.295 114.847 114.554 -0.004 0.000 2.956 281 T HA 0.515 4.865 4.350 -0.000 0.000 0.312 281 T C -1.339 173.370 174.700 0.016 0.000 1.151 281 T CA -0.507 61.571 62.100 -0.038 0.000 1.024 281 T CB 0.906 69.751 68.868 -0.038 0.000 1.140 281 T HN 0.866 nan 8.240 nan 0.000 0.473 282 H N 0.657 119.652 119.070 -0.125 0.000 2.990 282 H HA 0.633 5.189 4.556 -0.000 0.000 0.336 282 H C -1.484 173.784 175.328 -0.099 0.000 1.306 282 H CA -0.746 55.204 56.048 -0.164 0.000 1.118 282 H CB 1.340 30.810 29.762 -0.486 0.000 1.856 282 H HN 0.535 nan 8.280 nan 0.000 0.538 283 T N 1.658 116.255 114.554 0.072 0.000 2.945 283 T HA 0.487 4.837 4.350 -0.000 0.000 0.286 283 T C -0.546 174.261 174.700 0.179 0.000 1.025 283 T CA -0.657 61.484 62.100 0.070 0.000 1.039 283 T CB 1.273 70.191 68.868 0.083 0.000 1.068 283 T HN 0.255 nan 8.240 nan 0.000 0.497 284 L N 2.698 124.022 121.223 0.169 0.000 2.386 284 L HA 0.502 4.842 4.340 -0.000 0.000 0.271 284 L C -0.612 176.367 176.870 0.183 0.000 0.993 284 L CA -0.593 54.371 54.840 0.207 0.000 0.819 284 L CB 2.104 44.281 42.059 0.198 0.000 1.294 284 L HN 0.485 nan 8.230 nan 0.000 0.414 285 Q N 1.738 121.618 119.800 0.133 0.000 2.309 285 Q HA 0.816 5.156 4.340 -0.000 0.000 0.264 285 Q C -0.362 175.529 176.000 -0.183 0.000 1.008 285 Q CA -0.501 55.345 55.803 0.072 0.000 0.853 285 Q CB 2.358 31.201 28.738 0.175 0.000 1.314 285 Q HN 0.755 nan 8.270 nan 0.000 0.448 286 T N -2.192 112.222 114.554 -0.233 0.000 2.864 286 T HA 0.865 5.215 4.350 -0.000 0.000 0.299 286 T C -0.600 173.901 174.700 -0.332 0.000 1.166 286 T CA -0.739 61.095 62.100 -0.442 0.000 1.007 286 T CB 1.743 70.491 68.868 -0.199 0.000 1.219 286 T HN 0.598 nan 8.240 nan 0.000 0.506 287 S N 0.018 115.535 115.700 -0.305 0.000 2.547 287 S HA 0.641 5.111 4.470 -0.000 0.000 0.270 287 S C -1.839 172.685 174.600 -0.128 0.000 1.150 287 S CA -1.028 57.125 58.200 -0.079 0.000 0.850 287 S CB 0.729 64.044 63.200 0.193 0.000 1.118 287 S HN 0.723 nan 8.310 nan 0.000 0.461 288 Y N 0.961 121.305 120.300 0.075 0.000 2.310 288 Y HA 0.675 5.225 4.550 -0.000 0.000 0.326 288 Y C 1.285 177.216 175.900 0.052 0.000 1.151 288 Y CA 0.744 58.879 58.100 0.059 0.000 1.195 288 Y CB 1.445 39.936 38.460 0.052 0.000 1.210 288 Y HN 1.096 nan 8.280 nan 0.000 0.483 289 G N 0.917 109.849 108.800 0.221 0.000 3.134 289 G HA2 0.248 4.208 3.960 -0.000 0.000 0.158 289 G HA3 0.248 4.208 3.960 -0.000 0.000 0.158 289 G C -0.968 173.978 174.900 0.077 0.000 1.334 289 G CA -0.627 44.545 45.100 0.120 0.000 1.001 289 G HN 0.545 nan 8.290 nan 0.000 0.600 290 E N -0.511 119.691 120.200 0.003 0.000 2.313 290 E HA 0.271 4.621 4.350 -0.000 0.000 0.272 290 E C -0.238 176.319 176.600 -0.072 0.000 1.038 290 E CA -0.490 55.825 56.400 -0.141 0.000 0.863 290 E CB 0.206 29.736 29.700 -0.284 0.000 1.060 290 E HN 0.543 nan 8.360 nan 0.000 0.402 291 H N 2.030 121.117 119.070 0.028 0.000 2.820 291 H HA -0.168 4.388 4.556 0.000 0.000 0.295 291 H C 0.070 175.416 175.328 0.029 0.000 1.187 291 H CA 0.883 56.941 56.048 0.016 0.000 1.144 291 H CB -2.053 27.717 29.762 0.014 0.000 1.354 291 H HN 0.579 nan 8.280 nan 0.000 0.395 292 S N -2.778 112.991 115.700 0.115 0.000 3.476 292 S HA -0.177 4.293 4.470 -0.000 0.000 0.309 292 S C 0.753 175.540 174.600 0.311 0.000 1.222 292 S CA 0.681 58.964 58.200 0.137 0.000 0.922 292 S CB -1.266 61.947 63.200 0.021 0.000 1.023 292 S HN 0.378 nan 8.310 nan 0.000 0.591 293 V N 2.596 122.653 119.914 0.239 0.000 2.470 293 V HA 0.248 4.368 4.120 -0.000 0.000 0.276 293 V C 0.598 176.794 176.094 0.170 0.000 1.040 293 V CA -0.079 62.326 62.300 0.174 0.000 1.008 293 V CB 1.186 33.081 31.823 0.120 0.000 0.990 293 V HN 0.471 nan 8.190 nan 0.000 0.477 294 L N 5.409 126.673 121.223 0.068 0.000 2.343 294 L HA 0.594 4.934 4.340 -0.000 0.000 0.275 294 L C 0.053 176.865 176.870 -0.097 0.000 1.056 294 L CA 0.325 55.089 54.840 -0.128 0.000 0.804 294 L CB 1.902 43.807 42.059 -0.257 0.000 1.203 294 L HN 0.682 nan 8.230 nan 0.000 0.440 295 T N 5.473 119.958 114.554 -0.116 0.000 2.861 295 T HA 0.533 4.883 4.350 -0.000 0.000 0.287 295 T C -0.054 174.576 174.700 -0.117 0.000 1.003 295 T CA -0.307 61.769 62.100 -0.041 0.000 0.977 295 T CB 1.505 70.419 68.868 0.077 0.000 0.996 295 T HN 0.384 nan 8.240 nan 0.000 0.448 296 I N 4.367 124.924 120.570 -0.022 0.000 2.304 296 I HA 0.254 4.424 4.170 -0.000 0.000 0.291 296 I C 0.347 176.568 176.117 0.172 0.000 1.018 296 I CA -0.923 60.380 61.300 0.005 0.000 1.260 296 I CB 0.530 38.605 38.000 0.125 0.000 1.390 296 I HN 0.545 nan 8.210 nan 0.000 0.475 297 H N 3.919 123.061 119.070 0.121 0.000 2.771 297 H HA 0.255 4.811 4.556 0.000 0.000 0.364 297 H C 0.278 175.635 175.328 0.048 0.000 1.133 297 H CA -0.378 55.717 56.048 0.079 0.000 1.423 297 H CB 0.696 30.494 29.762 0.060 0.000 1.425 297 H HN 0.545 nan 8.280 nan 0.000 0.606 298 T N -1.322 113.293 114.554 0.102 0.000 2.881 298 T HA 0.414 4.764 4.350 -0.000 0.000 0.291 298 T C 0.313 174.990 174.700 -0.038 0.000 0.990 298 T CA -0.848 61.216 62.100 -0.060 0.000 0.976 298 T CB 1.001 69.701 68.868 -0.281 0.000 0.970 298 T HN 0.653 nan 8.240 nan 0.000 0.438 307 A N 1.541 124.381 122.820 0.034 0.000 2.351 307 A HA 0.670 4.990 4.320 -0.000 0.000 0.257 307 A C -0.005 177.585 177.584 0.010 0.000 1.087 307 A CA 0.256 52.305 52.037 0.019 0.000 0.798 307 A CB 0.583 19.596 19.000 0.022 0.000 1.033 307 A HN 1.026 nan 8.150 nan 0.000 0.488 308 S N 1.380 117.080 115.700 -0.000 0.000 2.707 308 S HA 0.619 5.089 4.470 -0.000 0.000 0.303 308 S C 0.251 174.848 174.600 -0.005 0.000 1.132 308 S CA -0.090 58.108 58.200 -0.004 0.000 1.046 308 S CB 0.855 64.049 63.200 -0.011 0.000 1.004 308 S HN 1.607 nan 8.310 nan 0.000 0.483 309 G N 1.849 110.648 108.800 -0.001 0.000 2.720 309 G HA2 0.132 4.092 3.960 -0.000 0.000 0.237 309 G HA3 0.132 4.092 3.960 -0.000 0.000 0.237 309 G C 0.579 175.477 174.900 -0.004 0.000 1.239 309 G CA -0.484 44.616 45.100 -0.001 0.000 0.847 309 G HN 0.877 nan 8.290 nan 0.000 0.593 310 K N 0.453 120.851 120.400 -0.002 0.000 2.211 310 K HA -0.033 4.287 4.320 -0.000 0.000 0.203 310 K C 2.591 179.189 176.600 -0.002 0.000 1.050 310 K CA 1.259 57.544 56.287 -0.003 0.000 0.945 310 K CB -0.164 32.335 32.500 -0.001 0.000 0.732 310 K HN 0.484 nan 8.250 nan 0.000 0.451 311 A N 1.127 123.947 122.820 -0.001 0.000 1.872 311 A HA -0.076 4.244 4.320 -0.000 0.000 0.214 311 A C 1.947 179.530 177.584 -0.002 0.000 1.187 311 A CA 1.088 53.124 52.037 -0.001 0.000 0.614 311 A CB -0.422 18.578 19.000 0.000 0.000 0.826 311 A HN 0.288 nan 8.150 nan 0.000 0.442 312 I N -0.567 120.001 120.570 -0.003 0.000 2.454 312 I HA -0.238 3.932 4.170 -0.000 0.000 0.254 312 I C 2.691 178.804 176.117 -0.007 0.000 1.156 312 I CA 1.108 62.406 61.300 -0.005 0.000 1.433 312 I CB -0.343 37.655 38.000 -0.004 0.000 1.082 312 I HN 0.367 nan 8.210 nan 0.000 0.432 313 Q N 0.962 120.757 119.800 -0.008 0.000 2.050 313 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 313 Q C 2.190 178.186 176.000 -0.007 0.000 0.980 313 Q CA 2.136 57.933 55.803 -0.010 0.000 0.840 313 Q CB -0.256 28.475 28.738 -0.011 0.000 0.898 313 Q HN 0.417 nan 8.270 nan 0.000 0.424 314 T N 0.438 114.990 114.554 -0.004 0.000 2.995 314 T HA -0.023 4.327 4.350 -0.000 0.000 0.269 314 T C 1.860 176.558 174.700 -0.003 0.000 1.091 314 T CA 0.789 62.888 62.100 -0.002 0.000 1.128 314 T CB 0.038 68.906 68.868 0.000 0.000 0.891 314 T HN 0.052 nan 8.240 nan 0.000 0.492 315 V N 0.932 120.843 119.914 -0.005 0.000 2.626 315 V HA -0.069 4.051 4.120 -0.000 0.000 0.252 315 V C 2.196 178.285 176.094 -0.009 0.000 1.067 315 V CA 1.070 63.366 62.300 -0.006 0.000 1.081 315 V CB -0.440 31.379 31.823 -0.007 0.000 0.686 315 V HN 0.381 nan 8.190 nan 0.000 0.468 316 I N -0.666 119.899 120.570 -0.009 0.000 2.500 316 I HA -0.064 4.106 4.170 -0.000 0.000 0.252 316 I C 2.343 178.455 176.117 -0.008 0.000 1.142 316 I CA 1.233 62.526 61.300 -0.012 0.000 1.451 316 I CB -0.379 37.613 38.000 -0.012 0.000 1.093 316 I HN 0.102 nan 8.210 nan 0.000 0.430 317 K N 0.880 121.278 120.400 -0.004 0.000 2.057 317 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 317 K C 1.544 178.144 176.600 -0.001 0.000 1.050 317 K CA 1.395 57.682 56.287 0.000 0.000 0.935 317 K CB -0.886 31.615 32.500 0.002 0.000 0.715 317 K HN 0.491 nan 8.250 nan 0.000 0.439 318 N N 0.950 119.648 118.700 -0.003 0.000 2.609 318 N HA -0.121 4.619 4.740 -0.000 0.000 0.190 318 N C 0.744 176.249 175.510 -0.007 0.000 1.157 318 N CA 0.972 54.020 53.050 -0.004 0.000 0.918 318 N CB -0.223 38.261 38.487 -0.004 0.000 0.978 318 N HN 0.095 nan 8.380 nan 0.000 0.448 319 D N 0.858 121.251 120.400 -0.011 0.000 2.144 319 D HA -0.099 4.541 4.640 -0.000 0.000 0.200 319 D C 1.484 177.775 176.300 -0.014 0.000 0.978 319 D CA 1.012 55.002 54.000 -0.018 0.000 0.833 319 D CB -0.056 40.729 40.800 -0.026 0.000 0.961 319 D HN 0.489 nan 8.370 nan 0.000 0.470 320 E N 0.129 120.326 120.200 -0.005 0.000 2.152 320 E HA -0.025 4.325 4.350 -0.000 0.000 0.192 320 E C 1.114 177.715 176.600 0.002 0.000 0.983 320 E CA -0.060 56.341 56.400 0.002 0.000 0.818 320 E CB 0.275 29.981 29.700 0.011 0.000 0.758 320 E HN 0.272 nan 8.360 nan 0.000 0.467 321 L N 0.000 121.224 121.223 0.001 0.000 2.949 321 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 321 L CA 0.000 54.841 54.840 0.001 0.000 0.813 321 L CB 0.000 42.059 42.059 0.001 0.000 0.961 321 L HN 0.000 nan 8.230 nan 0.000 0.502