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 1ofu_1_A DATA FIRST_RESID 11 DATA SEQUENCE TAVIKVIGVG GGGGNAVNHM AKNNVEGVEF ICANTDAQAL KNIAARTVLQ DATA SEQUENCE LGPGVTKGLG AGANPEVGRQ AALEDRERIS EVLEGADMVF ITTGMGGGTG DATA SEQUENCE TGAAPIIAEV AKEMGILTVA VVTRPFPFEG RKRMQIADEG IRALAESVDS DATA SEQUENCE LITIPNEKLL TILGKDASLL AAFAKADDVL AGAVRGISDI IKRPGMINVD DATA SEQUENCE FADVKTVMSE MGMAMMGTGC ASGPNRAREA TEAAIRNPLL EDVNLQGARG DATA SEQUENCE ILVNITAGPD LSLGEYSDVG NIIEQFASEH ATVKVGTVID ADMRDELHVT DATA SEQUENCE VVATGLG 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 11 T HA 0.000 nan 4.350 nan 0.000 0.228 11 T C 0.000 174.627 174.700 -0.122 0.000 1.109 11 T CA 0.000 62.053 62.100 -0.079 0.000 1.349 11 T CB 0.000 68.840 68.868 -0.047 0.000 0.612 12 A N 1.427 124.121 122.820 -0.210 0.000 2.587 12 A HA 0.481 4.801 4.320 0.000 0.000 0.235 12 A C 0.390 177.837 177.584 -0.229 0.000 1.044 12 A CA 0.377 52.215 52.037 -0.332 0.000 0.754 12 A CB 0.095 18.647 19.000 -0.746 0.000 0.968 12 A HN 0.541 nan 8.150 nan 0.000 0.509 13 V N 4.914 124.724 119.914 -0.173 0.000 2.368 13 V HA 0.253 4.373 4.120 0.000 0.000 0.266 13 V C 0.154 176.184 176.094 -0.106 0.000 1.045 13 V CA 0.174 62.406 62.300 -0.113 0.000 0.899 13 V CB 0.174 31.956 31.823 -0.069 0.000 1.006 13 V HN 0.617 nan 8.190 nan 0.000 0.470 14 I N 5.704 126.218 120.570 -0.094 0.000 2.378 14 I HA 0.502 4.672 4.170 0.000 0.000 0.291 14 I C 0.015 176.115 176.117 -0.028 0.000 0.992 14 I CA -0.558 60.724 61.300 -0.029 0.000 1.154 14 I CB 1.474 39.487 38.000 0.021 0.000 1.315 14 I HN 0.476 nan 8.210 nan 0.000 0.448 15 K N 5.329 125.746 120.400 0.028 0.000 2.316 15 K HA 0.700 5.020 4.320 0.000 0.000 0.251 15 K C -1.297 175.364 176.600 0.102 0.000 0.934 15 K CA -0.832 55.460 56.287 0.007 0.000 0.802 15 K CB 3.128 35.632 32.500 0.006 0.000 1.171 15 K HN 0.259 nan 8.250 nan 0.000 0.426 16 V N 4.142 124.086 119.914 0.051 0.000 2.378 16 V HA 0.382 4.502 4.120 0.000 0.000 0.288 16 V C -0.508 175.684 176.094 0.163 0.000 1.016 16 V CA -0.795 61.597 62.300 0.154 0.000 0.840 16 V CB 1.314 33.216 31.823 0.132 0.000 0.994 16 V HN 0.704 nan 8.190 nan 0.000 0.431 17 I N 4.049 124.710 120.570 0.153 0.000 2.355 17 I HA 0.744 4.914 4.170 0.000 0.000 0.288 17 I C 0.660 176.844 176.117 0.112 0.000 0.999 17 I CA -0.204 61.168 61.300 0.120 0.000 1.163 17 I CB 1.080 39.131 38.000 0.085 0.000 1.316 17 I HN 0.707 nan 8.210 nan 0.000 0.454 18 G N 7.126 115.988 108.800 0.103 0.000 2.320 18 G HA2 0.511 4.471 3.960 0.000 0.000 0.300 18 G HA3 0.511 4.471 3.960 0.000 0.000 0.300 18 G C -0.881 174.051 174.900 0.054 0.000 1.126 18 G CA -0.315 44.831 45.100 0.077 0.000 0.896 18 G HN 0.439 nan 8.290 nan 0.000 0.436 19 V N 2.754 122.695 119.914 0.045 0.000 2.384 19 V HA 0.851 4.971 4.120 0.000 0.000 0.287 19 V C 0.923 177.029 176.094 0.020 0.000 1.020 19 V CA 0.592 62.911 62.300 0.032 0.000 0.850 19 V CB 0.240 32.082 31.823 0.031 0.000 0.987 19 V HN 1.630 nan 8.190 nan 0.000 0.436 20 G N 4.271 113.078 108.800 0.013 0.000 2.698 20 G HA2 0.077 4.037 3.960 0.000 0.000 0.225 20 G HA3 0.077 4.037 3.960 0.000 0.000 0.225 20 G C 0.730 175.626 174.900 -0.007 0.000 1.345 20 G CA 0.042 45.143 45.100 0.002 0.000 0.871 20 G HN 1.207 nan 8.290 nan 0.000 0.540 21 G N -0.374 108.413 108.800 -0.021 0.000 2.453 21 G HA2 0.237 4.197 3.960 0.000 0.000 0.215 21 G HA3 0.237 4.197 3.960 0.000 0.000 0.215 21 G C 1.990 176.861 174.900 -0.049 0.000 1.201 21 G CA 2.241 47.318 45.100 -0.039 0.000 0.784 21 G HN 1.961 nan 8.290 nan 0.000 0.545 22 G N 0.670 109.435 108.800 -0.059 0.000 2.422 22 G HA2 0.077 4.037 3.960 0.000 0.000 0.218 22 G HA3 0.077 4.037 3.960 0.000 0.000 0.218 22 G C 1.785 176.679 174.900 -0.011 0.000 1.146 22 G CA 1.392 46.459 45.100 -0.055 0.000 0.769 22 G HN 0.634 nan 8.290 nan 0.000 0.547 23 G N 0.811 109.612 108.800 0.002 0.000 2.418 23 G HA2 0.045 4.005 3.960 0.000 0.000 0.217 23 G HA3 0.045 4.005 3.960 0.000 0.000 0.217 23 G C 1.762 176.675 174.900 0.021 0.000 1.158 23 G CA 1.369 46.482 45.100 0.021 0.000 0.771 23 G HN 0.575 nan 8.290 nan 0.000 0.545 24 G N 0.674 109.479 108.800 0.009 0.000 2.418 24 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 24 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 24 G C 1.657 176.555 174.900 -0.003 0.000 1.158 24 G CA 0.997 46.100 45.100 0.006 0.000 0.771 24 G HN 0.562 nan 8.290 nan 0.000 0.545 25 N N 0.832 119.527 118.700 -0.008 0.000 2.149 25 N HA -0.071 4.669 4.740 0.000 0.000 0.188 25 N C 2.534 178.057 175.510 0.021 0.000 1.019 25 N CA 0.774 53.824 53.050 -0.001 0.000 0.857 25 N CB -0.130 38.348 38.487 -0.015 0.000 0.997 25 N HN 0.370 nan 8.380 nan 0.000 0.426 26 A N 0.815 123.646 122.820 0.019 0.000 1.898 26 A HA -0.057 4.263 4.320 0.000 0.000 0.216 26 A C 2.415 180.018 177.584 0.032 0.000 1.181 26 A CA 0.999 53.054 52.037 0.030 0.000 0.620 26 A CB -0.666 18.351 19.000 0.028 0.000 0.819 26 A HN 0.084 nan 8.150 nan 0.000 0.442 27 V N 1.152 121.070 119.914 0.007 0.000 2.343 27 V HA -0.233 3.887 4.120 0.000 0.000 0.247 27 V C 2.170 178.132 176.094 -0.220 0.000 1.051 27 V CA 2.032 64.305 62.300 -0.046 0.000 1.036 27 V CB -0.883 30.964 31.823 0.040 0.000 0.654 27 V HN 0.553 nan 8.190 nan 0.000 0.451 28 N N -0.759 117.865 118.700 -0.127 0.000 2.309 28 N HA -0.162 4.578 4.740 0.000 0.000 0.182 28 N C 1.835 177.248 175.510 -0.162 0.000 1.018 28 N CA 1.130 54.082 53.050 -0.163 0.000 0.876 28 N CB -0.414 38.027 38.487 -0.076 0.000 0.972 28 N HN 0.635 nan 8.380 nan 0.000 0.434 29 H N 0.790 119.762 119.070 -0.164 0.000 2.395 29 H HA 0.099 4.655 4.556 0.000 0.000 0.299 29 H C 1.846 177.064 175.328 -0.184 0.000 1.070 29 H CA 0.901 56.872 56.048 -0.129 0.000 1.356 29 H CB 0.235 29.957 29.762 -0.066 0.000 1.401 29 H HN 0.145 nan 8.280 nan 0.000 0.524 30 M N 0.154 119.643 119.600 -0.186 0.000 2.132 30 M HA -0.085 4.395 4.480 0.000 0.000 0.263 30 M C 2.751 178.715 176.300 -0.560 0.000 1.065 30 M CA 1.473 56.612 55.300 -0.269 0.000 1.122 30 M CB -0.174 32.337 32.600 -0.149 0.000 1.365 30 M HN 0.303 nan 8.290 nan 0.000 0.411 31 A N 0.309 122.528 122.820 -1.001 0.000 2.125 31 A HA -0.136 4.184 4.320 0.000 0.000 0.219 31 A C 2.010 179.383 177.584 -0.352 0.000 1.156 31 A CA 1.471 52.957 52.037 -0.918 0.000 0.671 31 A CB -0.407 18.083 19.000 -0.850 0.000 0.794 31 A HN 0.474 nan 8.150 nan 0.000 0.459 32 K N -0.986 119.218 120.400 -0.327 0.000 2.334 32 K HA 0.091 4.411 4.320 0.000 0.000 0.195 32 K C 0.606 177.073 176.600 -0.222 0.000 1.045 32 K CA 0.461 56.610 56.287 -0.230 0.000 1.004 32 K CB 0.070 32.438 32.500 -0.221 0.000 0.837 32 K HN 0.443 nan 8.250 nan 0.000 0.510 33 N N 0.923 119.449 118.700 -0.289 0.000 2.605 33 N HA -0.023 4.717 4.740 0.000 0.000 0.277 33 N C -0.033 175.411 175.510 -0.109 0.000 1.355 33 N CA -0.047 52.870 53.050 -0.222 0.000 0.849 33 N CB 0.071 38.369 38.487 -0.316 0.000 1.111 33 N HN -0.110 nan 8.380 nan 0.000 0.441 34 N N 0.037 118.693 118.700 -0.074 0.000 2.914 34 N HA 0.263 5.003 4.740 0.000 0.000 0.304 34 N C -1.993 173.516 175.510 -0.001 0.000 1.727 34 N CA -0.159 52.872 53.050 -0.032 0.000 0.986 34 N CB 0.188 38.651 38.487 -0.040 0.000 1.297 34 N HN 0.062 nan 8.380 nan 0.000 0.490 35 V N 1.322 121.268 119.914 0.053 0.000 2.276 35 V HA 0.366 4.486 4.120 0.000 0.000 0.268 35 V C -0.021 176.152 176.094 0.132 0.000 1.032 35 V CA -0.697 61.666 62.300 0.105 0.000 0.810 35 V CB 0.589 32.543 31.823 0.217 0.000 1.060 35 V HN 0.345 nan 8.190 nan 0.000 0.446 36 E N 1.785 122.006 120.200 0.035 0.000 2.292 36 E HA 0.690 5.040 4.350 0.000 0.000 0.258 36 E C 1.268 177.836 176.600 -0.054 0.000 1.115 36 E CA 0.749 57.152 56.400 0.004 0.000 0.929 36 E CB 1.183 30.881 29.700 -0.003 0.000 1.161 36 E HN 0.695 nan 8.360 nan 0.000 0.453 37 G N -0.776 107.982 108.800 -0.070 0.000 2.168 37 G HA2 -0.217 3.743 3.960 0.000 0.000 0.263 37 G HA3 -0.217 3.743 3.960 0.000 0.000 0.263 37 G C 0.035 174.845 174.900 -0.150 0.000 0.977 37 G CA 0.566 45.610 45.100 -0.094 0.000 0.659 37 G HN 0.772 nan 8.290 nan 0.000 0.533 38 V N -3.668 116.094 119.914 -0.254 0.000 3.040 38 V HA 0.902 5.022 4.120 0.000 0.000 0.312 38 V C -0.365 175.386 176.094 -0.572 0.000 1.115 38 V CA -1.427 60.645 62.300 -0.381 0.000 0.998 38 V CB 2.080 33.631 31.823 -0.452 0.000 1.042 38 V HN 0.255 nan 8.190 nan 0.000 0.433 39 E N 1.987 121.919 120.200 -0.448 0.000 2.191 39 E HA 0.557 4.907 4.350 0.000 0.000 0.278 39 E C -1.603 174.747 176.600 -0.416 0.000 0.972 39 E CA -0.277 55.912 56.400 -0.351 0.000 0.804 39 E CB 1.990 31.605 29.700 -0.141 0.000 1.110 39 E HN 0.641 nan 8.360 nan 0.000 0.394 40 F N 2.637 122.591 119.950 0.006 0.000 2.420 40 F HA 0.480 5.007 4.527 0.000 0.000 0.342 40 F C 0.226 176.035 175.800 0.014 0.000 1.113 40 F CA -0.742 57.264 58.000 0.009 0.000 1.059 40 F CB 0.929 39.928 39.000 -0.001 0.000 1.128 40 F HN 0.181 nan 8.300 nan 0.000 0.475 41 I N 2.564 123.258 120.570 0.208 0.000 2.582 41 I HA 0.353 4.523 4.170 0.000 0.000 0.292 41 I C -1.240 174.942 176.117 0.108 0.000 1.066 41 I CA -0.510 60.864 61.300 0.123 0.000 1.053 41 I CB 2.088 40.137 38.000 0.082 0.000 1.241 41 I HN 0.514 nan 8.210 nan 0.000 0.421 42 C N 5.110 124.455 119.300 0.075 0.000 2.298 42 C HA 0.799 5.259 4.460 0.000 0.000 0.323 42 C C 0.456 175.470 174.990 0.041 0.000 1.284 42 C CA -0.422 58.628 59.018 0.054 0.000 1.577 42 C CB 0.521 28.283 27.740 0.037 0.000 2.249 42 C HN 0.796 nan 8.230 nan 0.000 0.497 43 A N 4.572 127.415 122.820 0.038 0.000 2.287 43 A HA 0.809 5.129 4.320 0.000 0.000 0.317 43 A C -0.535 177.062 177.584 0.021 0.000 1.220 43 A CA -0.354 51.700 52.037 0.029 0.000 0.835 43 A CB 0.595 19.614 19.000 0.031 0.000 1.180 43 A HN 0.965 nan 8.150 nan 0.000 0.500 44 N N 0.307 119.017 118.700 0.016 0.000 2.504 44 N HA 0.311 5.051 4.740 0.000 0.000 0.268 44 N C 0.763 176.278 175.510 0.008 0.000 1.184 44 N CA 0.114 53.170 53.050 0.010 0.000 0.875 44 N CB 1.551 40.042 38.487 0.007 0.000 1.630 44 N HN 0.482 nan 8.380 nan 0.000 0.486 45 T N -2.124 112.433 114.554 0.006 0.000 3.043 45 T HA -0.013 4.337 4.350 0.000 0.000 0.263 45 T C 0.452 175.154 174.700 0.003 0.000 1.094 45 T CA 0.484 62.587 62.100 0.005 0.000 1.127 45 T CB -0.097 68.773 68.868 0.004 0.000 0.905 45 T HN 0.389 nan 8.240 nan 0.000 0.490 46 D N 1.574 121.975 120.400 0.001 0.000 2.352 46 D HA 0.476 5.116 4.640 0.000 0.000 0.245 46 D C 1.227 177.527 176.300 0.000 0.000 1.224 46 D CA -0.070 53.930 54.000 -0.001 0.000 0.879 46 D CB 1.093 41.890 40.800 -0.004 0.000 1.057 46 D HN 0.225 nan 8.370 nan 0.000 0.491 47 A N 4.040 126.860 122.820 0.001 0.000 1.969 47 A HA -0.214 4.106 4.320 0.000 0.000 0.218 47 A C 1.906 179.490 177.584 0.000 0.000 1.169 47 A CA 1.402 53.440 52.037 0.002 0.000 0.635 47 A CB -0.356 18.645 19.000 0.002 0.000 0.810 47 A HN 0.579 nan 8.150 nan 0.000 0.445 48 Q N 0.065 119.864 119.800 -0.001 0.000 2.167 48 Q HA 0.013 4.353 4.340 0.000 0.000 0.202 48 Q C 1.883 177.881 176.000 -0.004 0.000 0.970 48 Q CA 1.894 57.696 55.803 -0.003 0.000 0.855 48 Q CB -0.590 28.145 28.738 -0.004 0.000 0.911 48 Q HN 0.542 nan 8.270 nan 0.000 0.438 49 A N -0.205 122.612 122.820 -0.005 0.000 2.067 49 A HA -0.016 4.304 4.320 0.000 0.000 0.219 49 A C 1.641 179.222 177.584 -0.004 0.000 1.158 49 A CA 0.875 52.908 52.037 -0.007 0.000 0.661 49 A CB -0.404 18.590 19.000 -0.010 0.000 0.801 49 A HN 0.439 nan 8.150 nan 0.000 0.452 50 L N -0.824 120.398 121.223 -0.001 0.000 2.611 50 L HA 0.101 4.441 4.340 0.000 0.000 0.229 50 L C 0.131 177.003 176.870 0.002 0.000 1.137 50 L CA 0.094 54.936 54.840 0.003 0.000 0.901 50 L CB -0.107 41.956 42.059 0.007 0.000 1.098 50 L HN 0.181 nan 8.230 nan 0.000 0.456 51 K N 1.377 121.777 120.400 -0.001 0.000 2.201 51 K HA 0.222 4.542 4.320 0.000 0.000 0.278 51 K C -0.132 176.466 176.600 -0.003 0.000 1.027 51 K CA -0.614 55.672 56.287 -0.001 0.000 0.909 51 K CB 0.721 33.221 32.500 -0.001 0.000 1.062 51 K HN 0.051 nan 8.250 nan 0.000 0.465 52 N N 1.788 120.487 118.700 -0.003 0.000 2.696 52 N HA -0.199 4.541 4.740 0.000 0.000 0.256 52 N C -0.505 175.000 175.510 -0.009 0.000 1.031 52 N CA 1.055 54.102 53.050 -0.005 0.000 0.730 52 N CB -1.658 36.826 38.487 -0.005 0.000 0.894 52 N HN 0.609 nan 8.380 nan 0.000 0.544 53 I N -5.222 115.343 120.570 -0.009 0.000 2.910 53 I HA 0.739 4.909 4.170 0.000 0.000 0.310 53 I C 1.342 177.447 176.117 -0.021 0.000 1.043 53 I CA -0.925 60.365 61.300 -0.016 0.000 1.053 53 I CB 1.710 39.702 38.000 -0.013 0.000 1.242 53 I HN -0.109 nan 8.210 nan 0.000 0.452 54 A N 3.092 125.886 122.820 -0.043 0.000 1.877 54 A HA 0.160 4.480 4.320 0.000 0.000 0.216 54 A C 1.577 179.140 177.584 -0.034 0.000 1.186 54 A CA 1.268 53.270 52.037 -0.059 0.000 0.620 54 A CB -0.958 17.971 19.000 -0.119 0.000 0.822 54 A HN 1.045 nan 8.150 nan 0.000 0.443 55 A N -0.281 122.522 122.820 -0.029 0.000 2.566 55 A HA 0.246 4.566 4.320 0.000 0.000 0.245 55 A C 1.158 178.780 177.584 0.063 0.000 1.056 55 A CA 0.107 52.173 52.037 0.048 0.000 0.757 55 A CB -0.073 18.964 19.000 0.063 0.000 0.979 55 A HN 0.547 nan 8.150 nan 0.000 0.508 56 R N 0.960 121.518 120.500 0.096 0.000 2.148 56 R HA -0.012 4.328 4.340 0.000 0.000 0.223 56 R C -0.004 176.328 176.300 0.053 0.000 1.088 56 R CA 1.314 57.454 56.100 0.066 0.000 0.985 56 R CB -0.067 30.275 30.300 0.069 0.000 0.880 56 R HN 0.712 nan 8.270 nan 0.000 0.451 57 T N 1.119 115.712 114.554 0.065 0.000 2.855 57 T HA 0.464 4.814 4.350 0.000 0.000 0.281 57 T C -0.515 174.213 174.700 0.048 0.000 1.007 57 T CA -0.740 61.389 62.100 0.049 0.000 1.009 57 T CB 2.168 71.064 68.868 0.046 0.000 0.983 57 T HN -0.013 nan 8.240 nan 0.000 0.455 58 V N 1.084 121.018 119.914 0.034 0.000 2.876 58 V HA 0.894 5.014 4.120 0.000 0.000 0.312 58 V C -1.417 174.692 176.094 0.025 0.000 1.085 58 V CA -1.212 61.106 62.300 0.030 0.000 0.945 58 V CB 1.884 33.720 31.823 0.022 0.000 1.017 58 V HN 0.645 nan 8.190 nan 0.000 0.428 59 L N 3.084 124.321 121.223 0.025 0.000 2.471 59 L HA 0.506 4.846 4.340 0.000 0.000 0.263 59 L C -0.228 176.652 176.870 0.017 0.000 0.985 59 L CA -0.261 54.592 54.840 0.021 0.000 0.868 59 L CB 1.504 43.577 42.059 0.023 0.000 1.203 59 L HN 1.015 nan 8.230 nan 0.000 0.429 60 Q N 4.837 124.645 119.800 0.013 0.000 2.369 60 Q HA 0.357 4.697 4.340 0.000 0.000 0.247 60 Q C -1.005 175.001 176.000 0.010 0.000 1.083 60 Q CA -0.306 55.504 55.803 0.011 0.000 0.905 60 Q CB 0.451 29.194 28.738 0.009 0.000 1.305 60 Q HN 0.727 nan 8.270 nan 0.000 0.465 61 L N 3.337 124.566 121.223 0.010 0.000 2.416 61 L HA 0.237 4.577 4.340 0.000 0.000 0.272 61 L C 1.129 178.004 176.870 0.008 0.000 1.161 61 L CA 0.314 55.159 54.840 0.010 0.000 0.845 61 L CB 0.453 42.518 42.059 0.010 0.000 1.119 61 L HN 0.973 nan 8.230 nan 0.000 0.464 62 G N 3.872 112.676 108.800 0.007 0.000 2.369 62 G HA2 -0.192 3.768 3.960 0.000 0.000 0.286 62 G HA3 -0.192 3.768 3.960 0.000 0.000 0.286 62 G C -1.823 173.080 174.900 0.005 0.000 0.938 62 G CA -0.435 44.669 45.100 0.006 0.000 1.271 62 G HN 0.610 nan 8.290 nan 0.000 0.488 63 P HA -0.014 nan 4.420 nan 0.000 0.222 63 P C 1.945 179.247 177.300 0.004 0.000 1.147 63 P CA 1.624 64.727 63.100 0.004 0.000 0.790 63 P CB 0.124 31.827 31.700 0.005 0.000 0.780 64 G N -0.800 108.003 108.800 0.004 0.000 2.492 64 G HA2 -0.092 3.868 3.960 0.000 0.000 0.214 64 G HA3 -0.092 3.868 3.960 0.000 0.000 0.214 64 G C 1.450 176.352 174.900 0.003 0.000 1.147 64 G CA 0.242 45.345 45.100 0.003 0.000 0.809 64 G HN 0.138 nan 8.290 nan 0.000 0.533 65 V N 1.353 121.269 119.914 0.004 0.000 2.535 65 V HA -0.044 4.076 4.120 0.000 0.000 0.246 65 V C 2.974 179.070 176.094 0.003 0.000 1.045 65 V CA 2.279 64.582 62.300 0.004 0.000 1.058 65 V CB -0.110 31.716 31.823 0.004 0.000 0.689 65 V HN 0.598 nan 8.190 nan 0.000 0.461 66 T N -4.289 110.268 114.554 0.004 0.000 2.990 66 T HA 0.120 4.470 4.350 0.000 0.000 0.250 66 T C 0.833 175.534 174.700 0.003 0.000 1.041 66 T CA 0.018 62.120 62.100 0.003 0.000 1.010 66 T CB -0.036 68.835 68.868 0.003 0.000 1.003 66 T HN 0.419 nan 8.240 nan 0.000 0.499 67 K N 1.187 121.589 120.400 0.003 0.000 3.071 67 K HA -0.184 4.136 4.320 0.000 0.000 0.265 67 K C 1.084 177.685 176.600 0.003 0.000 1.060 67 K CA 0.312 56.600 56.287 0.003 0.000 0.767 67 K CB -2.263 30.239 32.500 0.002 0.000 1.241 67 K HN 0.915 nan 8.250 nan 0.000 0.486 68 G N 0.092 108.894 108.800 0.003 0.000 2.175 68 G HA2 -0.335 3.625 3.960 0.000 0.000 0.265 68 G HA3 -0.335 3.625 3.960 0.000 0.000 0.265 68 G C 0.576 175.477 174.900 0.002 0.000 0.979 68 G CA 0.667 45.768 45.100 0.002 0.000 0.663 68 G HN 0.374 nan 8.290 nan 0.000 0.533 69 L N 0.331 121.555 121.223 0.002 0.000 2.591 69 L HA 0.430 4.770 4.340 0.000 0.000 0.228 69 L C 1.766 178.636 176.870 0.000 0.000 1.133 69 L CA 0.485 55.325 54.840 0.001 0.000 0.880 69 L CB -0.581 41.479 42.059 0.001 0.000 1.033 69 L HN 1.029 nan 8.230 nan 0.000 0.450 70 G N 0.161 108.962 108.800 0.001 0.000 2.698 70 G HA2 -0.039 3.921 3.960 0.000 0.000 0.225 70 G HA3 -0.039 3.921 3.960 0.000 0.000 0.225 70 G C -0.462 174.438 174.900 0.001 0.000 1.345 70 G CA -0.437 44.663 45.100 0.000 0.000 0.871 70 G HN 0.395 nan 8.290 nan 0.000 0.540 71 A N -1.149 121.672 122.820 0.001 0.000 2.261 71 A HA 0.923 5.243 4.320 0.000 0.000 0.323 71 A C 0.961 178.547 177.584 0.002 0.000 1.107 71 A CA 0.523 52.562 52.037 0.003 0.000 0.883 71 A CB 1.431 20.433 19.000 0.003 0.000 1.251 71 A HN 2.445 nan 8.150 nan 0.000 0.502 72 G N -1.243 107.560 108.800 0.004 0.000 4.804 72 G HA2 0.579 4.539 3.960 0.000 0.000 0.310 72 G HA3 0.579 4.539 3.960 0.000 0.000 0.310 72 G C 0.693 175.597 174.900 0.007 0.000 1.389 72 G CA 0.770 45.873 45.100 0.005 0.000 1.106 72 G HN 2.231 nan 8.290 nan 0.000 0.595 73 A N 0.463 123.286 122.820 0.006 0.000 3.153 73 A HA -0.243 4.077 4.320 0.000 0.000 0.265 73 A C 0.880 178.469 177.584 0.009 0.000 1.212 73 A CA 0.971 53.013 52.037 0.009 0.000 1.018 73 A CB -1.937 17.071 19.000 0.013 0.000 1.130 73 A HN 0.676 nan 8.150 nan 0.000 0.873 74 N N 0.238 118.942 118.700 0.007 0.000 2.437 74 N HA 0.338 5.078 4.740 0.000 0.000 0.243 74 N C -0.960 174.553 175.510 0.006 0.000 1.041 74 N CA -1.595 51.459 53.050 0.007 0.000 0.940 74 N CB 1.035 39.526 38.487 0.006 0.000 1.133 74 N HN 0.281 nan 8.380 nan 0.000 0.506 75 P HA -0.138 nan 4.420 nan 0.000 0.222 75 P C 0.769 178.072 177.300 0.005 0.000 1.147 75 P CA 0.906 64.009 63.100 0.006 0.000 0.790 75 P CB 0.651 32.354 31.700 0.005 0.000 0.780 76 E N 0.530 120.733 120.200 0.005 0.000 2.107 76 E HA -0.091 4.259 4.350 0.000 0.000 0.191 76 E C 1.955 178.558 176.600 0.005 0.000 0.982 76 E CA 0.846 57.248 56.400 0.005 0.000 0.809 76 E CB -1.197 28.506 29.700 0.004 0.000 0.756 76 E HN -0.061 nan 8.360 nan 0.000 0.459 77 V N 0.372 120.289 119.914 0.005 0.000 2.343 77 V HA -0.193 3.927 4.120 0.000 0.000 0.247 77 V C 2.315 178.412 176.094 0.005 0.000 1.051 77 V CA 1.948 64.251 62.300 0.005 0.000 1.036 77 V CB -1.150 30.676 31.823 0.005 0.000 0.654 77 V HN 0.498 nan 8.190 nan 0.000 0.451 78 G N -0.543 108.260 108.800 0.005 0.000 2.418 78 G HA2 -0.305 3.655 3.960 0.000 0.000 0.217 78 G HA3 -0.305 3.655 3.960 0.000 0.000 0.217 78 G C 1.733 176.637 174.900 0.006 0.000 1.158 78 G CA 0.983 46.087 45.100 0.006 0.000 0.771 78 G HN 0.432 nan 8.290 nan 0.000 0.545 79 R N -0.449 120.055 120.500 0.006 0.000 2.081 79 R HA -0.066 4.274 4.340 0.000 0.000 0.235 79 R C 2.695 178.998 176.300 0.005 0.000 1.131 79 R CA 1.340 57.443 56.100 0.006 0.000 0.960 79 R CB -0.160 30.143 30.300 0.005 0.000 0.856 79 R HN 0.236 nan 8.270 nan 0.000 0.436 80 Q N -0.140 119.663 119.800 0.005 0.000 2.119 80 Q HA -0.077 4.263 4.340 0.000 0.000 0.201 80 Q C 2.006 178.009 176.000 0.005 0.000 0.972 80 Q CA 1.568 57.374 55.803 0.005 0.000 0.847 80 Q CB -0.219 28.521 28.738 0.004 0.000 0.903 80 Q HN 0.421 nan 8.270 nan 0.000 0.433 81 A N 0.932 123.755 122.820 0.005 0.000 1.930 81 A HA -0.043 4.277 4.320 0.000 0.000 0.217 81 A C 2.301 179.889 177.584 0.007 0.000 1.175 81 A CA 1.752 53.793 52.037 0.006 0.000 0.627 81 A CB -0.542 18.462 19.000 0.006 0.000 0.815 81 A HN 0.349 nan 8.150 nan 0.000 0.443 82 A N -0.240 122.584 122.820 0.007 0.000 1.898 82 A HA 0.028 4.348 4.320 0.000 0.000 0.216 82 A C 2.115 179.703 177.584 0.007 0.000 1.181 82 A CA 1.311 53.353 52.037 0.008 0.000 0.620 82 A CB -0.569 18.436 19.000 0.009 0.000 0.819 82 A HN 0.457 nan 8.150 nan 0.000 0.442 83 L N -0.606 120.621 121.223 0.006 0.000 2.131 83 L HA -0.208 4.132 4.340 0.000 0.000 0.210 83 L C 2.616 179.489 176.870 0.005 0.000 1.092 83 L CA 1.758 56.601 54.840 0.005 0.000 0.759 83 L CB -0.440 41.622 42.059 0.004 0.000 0.903 83 L HN 0.609 nan 8.230 nan 0.000 0.435 84 E N 0.006 120.209 120.200 0.005 0.000 2.150 84 E HA -0.207 4.143 4.350 0.000 0.000 0.193 84 E C 0.571 177.174 176.600 0.005 0.000 0.985 84 E CA 1.003 57.406 56.400 0.005 0.000 0.814 84 E CB 0.249 29.951 29.700 0.005 0.000 0.752 84 E HN 0.419 nan 8.360 nan 0.000 0.466 85 D N -0.104 120.300 120.400 0.006 0.000 2.525 85 D HA 0.100 4.740 4.640 0.000 0.000 0.229 85 D C 0.952 177.257 176.300 0.007 0.000 1.202 85 D CA -0.135 53.869 54.000 0.007 0.000 0.828 85 D CB 0.258 41.063 40.800 0.008 0.000 1.008 85 D HN 0.113 nan 8.370 nan 0.000 0.493 86 R N 0.512 121.016 120.500 0.006 0.000 2.105 86 R HA -0.154 4.186 4.340 0.000 0.000 0.239 86 R C 1.957 178.261 176.300 0.006 0.000 1.135 86 R CA 1.088 57.192 56.100 0.006 0.000 0.967 86 R CB 0.157 30.460 30.300 0.005 0.000 0.861 86 R HN 0.276 nan 8.270 nan 0.000 0.442 87 E N 0.594 120.797 120.200 0.006 0.000 2.047 87 E HA -0.184 4.166 4.350 0.000 0.000 0.191 87 E C 1.917 178.521 176.600 0.007 0.000 0.987 87 E CA 1.085 57.488 56.400 0.006 0.000 0.799 87 E CB 0.149 29.851 29.700 0.005 0.000 0.752 87 E HN 0.235 nan 8.360 nan 0.000 0.449 88 R N 0.001 120.505 120.500 0.007 0.000 2.189 88 R HA -0.035 4.305 4.340 0.000 0.000 0.223 88 R C 2.335 178.642 176.300 0.011 0.000 1.092 88 R CA 0.884 56.989 56.100 0.009 0.000 0.989 88 R CB -0.110 30.195 30.300 0.009 0.000 0.876 88 R HN 0.302 nan 8.270 nan 0.000 0.457 89 I N 0.005 120.581 120.570 0.011 0.000 2.353 89 I HA -0.216 3.954 4.170 0.000 0.000 0.248 89 I C 1.957 178.081 176.117 0.011 0.000 1.119 89 I CA 1.000 62.308 61.300 0.013 0.000 1.417 89 I CB -0.097 37.910 38.000 0.012 0.000 1.078 89 I HN 0.072 nan 8.210 nan 0.000 0.421 90 S N 0.547 116.252 115.700 0.009 0.000 2.356 90 S HA -0.199 4.271 4.470 0.000 0.000 0.223 90 S C 1.833 176.437 174.600 0.007 0.000 1.032 90 S CA 1.412 59.616 58.200 0.007 0.000 1.005 90 S CB -0.292 62.911 63.200 0.006 0.000 0.867 90 S HN 0.468 nan 8.310 nan 0.000 0.449 91 E N 0.490 120.695 120.200 0.007 0.000 2.038 91 E HA -0.140 4.210 4.350 0.000 0.000 0.195 91 E C 2.108 178.713 176.600 0.008 0.000 1.000 91 E CA 1.269 57.673 56.400 0.007 0.000 0.803 91 E CB -0.453 29.252 29.700 0.007 0.000 0.750 91 E HN 0.242 nan 8.360 nan 0.000 0.448 92 V N 1.295 121.215 119.914 0.011 0.000 2.568 92 V HA -0.199 3.921 4.120 0.000 0.000 0.253 92 V C 1.912 178.013 176.094 0.012 0.000 1.072 92 V CA 1.421 63.730 62.300 0.013 0.000 1.084 92 V CB -0.176 31.658 31.823 0.019 0.000 0.676 92 V HN 0.239 nan 8.190 nan 0.000 0.469 93 L N -0.051 121.179 121.223 0.011 0.000 2.477 93 L HA 0.135 4.475 4.340 0.000 0.000 0.220 93 L C 1.170 178.043 176.870 0.005 0.000 1.106 93 L CA 0.053 54.899 54.840 0.010 0.000 0.851 93 L CB -0.384 41.682 42.059 0.011 0.000 0.994 93 L HN 0.498 nan 8.230 nan 0.000 0.462 94 E N 1.053 121.256 120.200 0.005 0.000 2.652 94 E HA 0.046 4.396 4.350 0.000 0.000 0.255 94 E C 1.035 177.636 176.600 0.000 0.000 0.952 94 E CA 0.657 57.059 56.400 0.003 0.000 0.947 94 E CB 0.221 29.923 29.700 0.003 0.000 0.912 94 E HN 0.300 nan 8.360 nan 0.000 0.489 95 G N 1.991 110.791 108.800 0.001 0.000 2.217 95 G HA2 -0.298 3.662 3.960 0.000 0.000 0.246 95 G HA3 -0.298 3.662 3.960 0.000 0.000 0.246 95 G C 0.371 175.267 174.900 -0.006 0.000 0.990 95 G CA -0.062 45.036 45.100 -0.003 0.000 0.627 95 G HN 1.100 nan 8.290 nan 0.000 0.522 96 A N 0.238 123.056 122.820 -0.003 0.000 2.425 96 A HA 0.581 4.901 4.320 0.000 0.000 0.249 96 A C 0.987 178.577 177.584 0.010 0.000 1.084 96 A CA 0.724 52.757 52.037 -0.007 0.000 0.781 96 A CB 0.359 19.358 19.000 -0.002 0.000 1.019 96 A HN 0.196 nan 8.150 nan 0.000 0.490 97 D N 0.443 120.845 120.400 0.004 0.000 2.366 97 D HA 0.142 4.782 4.640 0.000 0.000 0.205 97 D C 0.133 176.516 176.300 0.138 0.000 1.022 97 D CA 0.947 54.993 54.000 0.077 0.000 0.868 97 D CB 0.336 41.139 40.800 0.004 0.000 0.953 97 D HN 0.615 nan 8.370 nan 0.000 0.514 98 M N 0.891 120.513 119.600 0.037 0.000 2.414 98 M HA 0.284 4.763 4.480 0.000 0.000 0.287 98 M C -2.380 173.894 176.300 -0.044 0.000 1.181 98 M CA -0.588 54.716 55.300 0.007 0.000 0.933 98 M CB 3.068 35.679 32.600 0.018 0.000 1.732 98 M HN -0.280 nan 8.290 nan 0.000 0.486 99 V N 4.621 124.471 119.914 -0.108 0.000 2.638 99 V HA 0.659 4.779 4.120 0.000 0.000 0.306 99 V C -1.945 174.068 176.094 -0.136 0.000 1.052 99 V CA -0.344 61.928 62.300 -0.046 0.000 0.885 99 V CB 2.100 33.920 31.823 -0.005 0.000 0.999 99 V HN 0.809 nan 8.190 nan 0.000 0.424 100 F N 6.478 126.440 119.950 0.021 0.000 2.427 100 F HA 0.619 5.146 4.527 0.000 0.000 0.346 100 F C 0.314 176.136 175.800 0.036 0.000 1.120 100 F CA -0.488 57.531 58.000 0.032 0.000 1.033 100 F CB 1.676 40.700 39.000 0.039 0.000 1.126 100 F HN 0.279 nan 8.300 nan 0.000 0.462 101 I N 2.814 123.496 120.570 0.188 0.000 2.355 101 I HA 0.271 4.441 4.170 0.000 0.000 0.288 101 I C -0.146 176.048 176.117 0.129 0.000 0.999 101 I CA -0.234 61.142 61.300 0.126 0.000 1.163 101 I CB 1.712 39.754 38.000 0.070 0.000 1.316 101 I HN 0.488 nan 8.210 nan 0.000 0.454 102 T N 4.256 118.881 114.554 0.118 0.000 2.841 102 T HA 0.636 4.986 4.350 0.000 0.000 0.283 102 T C -0.686 174.053 174.700 0.065 0.000 1.000 102 T CA -0.186 61.971 62.100 0.095 0.000 0.977 102 T CB 1.467 70.395 68.868 0.099 0.000 0.979 102 T HN 0.682 nan 8.240 nan 0.000 0.446 103 T N 1.968 116.551 114.554 0.048 0.000 2.786 103 T HA 0.633 4.983 4.350 0.000 0.000 0.316 103 T C -0.646 174.068 174.700 0.024 0.000 1.503 103 T CA -0.313 61.807 62.100 0.033 0.000 1.019 103 T CB 1.210 70.095 68.868 0.029 0.000 1.415 103 T HN 0.835 nan 8.240 nan 0.000 0.496 104 G N 3.306 112.117 108.800 0.019 0.000 2.404 104 G HA2 0.529 4.489 3.960 0.000 0.000 0.316 104 G HA3 0.529 4.489 3.960 0.000 0.000 0.316 104 G C 0.101 175.007 174.900 0.011 0.000 1.074 104 G CA -0.506 44.605 45.100 0.019 0.000 0.989 104 G HN 0.529 nan 8.290 nan 0.000 0.430 105 M N 1.736 121.337 119.600 0.003 0.000 2.228 105 M HA 0.396 4.876 4.480 0.000 0.000 0.351 105 M C 1.288 177.588 176.300 -0.001 0.000 1.233 105 M CA 0.618 55.917 55.300 -0.001 0.000 1.129 105 M CB 0.910 33.505 32.600 -0.008 0.000 1.604 105 M HN 0.910 nan 8.290 nan 0.000 0.457 106 G N 1.850 110.651 108.800 0.003 0.000 2.421 106 G HA2 -0.088 3.872 3.960 0.000 0.000 0.188 106 G HA3 -0.088 3.872 3.960 0.000 0.000 0.188 106 G C 0.320 175.228 174.900 0.012 0.000 1.001 106 G CA -0.192 44.912 45.100 0.007 0.000 0.693 106 G HN 1.008 nan 8.290 nan 0.000 0.479 107 G N -0.498 108.308 108.800 0.010 0.000 2.695 107 G HA2 0.600 4.560 3.960 0.000 0.000 0.213 107 G HA3 0.600 4.560 3.960 0.000 0.000 0.213 107 G C 1.126 176.031 174.900 0.007 0.000 1.406 107 G CA 0.490 45.595 45.100 0.009 0.000 1.049 107 G HN 1.076 nan 8.290 nan 0.000 0.573 108 G N -1.607 107.196 108.800 0.005 0.000 2.662 108 G HA2 0.121 4.081 3.960 0.000 0.000 0.207 108 G HA3 0.121 4.081 3.960 0.000 0.000 0.207 108 G C 1.643 176.546 174.900 0.005 0.000 1.154 108 G CA 1.452 46.555 45.100 0.005 0.000 0.837 108 G HN 0.531 nan 8.290 nan 0.000 0.580 109 T N 1.313 115.869 114.554 0.004 0.000 2.643 109 T HA -0.030 4.320 4.350 0.000 0.000 0.264 109 T C 2.464 177.169 174.700 0.008 0.000 1.045 109 T CA 1.659 63.762 62.100 0.005 0.000 1.155 109 T CB -0.773 68.098 68.868 0.004 0.000 0.863 109 T HN 0.305 nan 8.240 nan 0.000 0.420 110 G N 1.422 110.226 108.800 0.007 0.000 2.480 110 G HA2 -0.277 3.683 3.960 0.000 0.000 0.216 110 G HA3 -0.277 3.683 3.960 0.000 0.000 0.216 110 G C 1.885 176.791 174.900 0.010 0.000 1.200 110 G CA 1.955 47.061 45.100 0.011 0.000 0.782 110 G HN 0.608 nan 8.290 nan 0.000 0.554 111 T N -0.881 113.678 114.554 0.008 0.000 2.788 111 T HA 0.087 4.437 4.350 0.000 0.000 0.268 111 T C 2.381 177.085 174.700 0.007 0.000 1.044 111 T CA 1.940 64.043 62.100 0.007 0.000 1.139 111 T CB -0.530 68.341 68.868 0.005 0.000 0.867 111 T HN 0.270 nan 8.240 nan 0.000 0.454 112 G N 0.698 109.502 108.800 0.007 0.000 2.395 112 G HA2 0.265 4.225 3.960 0.000 0.000 0.214 112 G HA3 0.265 4.225 3.960 0.000 0.000 0.214 112 G C 1.907 176.812 174.900 0.008 0.000 1.177 112 G CA 0.607 45.711 45.100 0.007 0.000 0.794 112 G HN 0.731 nan 8.290 nan 0.000 0.532 113 A N 0.893 123.719 122.820 0.009 0.000 1.970 113 A HA 0.502 4.822 4.320 0.000 0.000 0.216 113 A C 2.719 180.311 177.584 0.013 0.000 1.170 113 A CA 1.648 53.691 52.037 0.011 0.000 0.645 113 A CB -0.549 18.459 19.000 0.012 0.000 0.816 113 A HN 0.646 nan 8.150 nan 0.000 0.447 114 A N 0.826 123.655 122.820 0.015 0.000 1.883 114 A HA -0.081 4.239 4.320 0.000 0.000 0.217 114 A C 0.212 177.804 177.584 0.014 0.000 1.186 114 A CA 2.009 54.057 52.037 0.018 0.000 0.624 114 A CB -1.708 17.304 19.000 0.021 0.000 0.822 114 A HN 0.438 nan 8.150 nan 0.000 0.444 115 P HA -0.123 nan 4.420 nan 0.000 0.216 115 P C 1.354 178.658 177.300 0.006 0.000 1.150 115 P CA 0.954 64.058 63.100 0.007 0.000 0.837 115 P CB -0.100 31.603 31.700 0.005 0.000 0.786 116 I N -1.450 119.124 120.570 0.007 0.000 2.252 116 I HA -0.193 3.977 4.170 0.000 0.000 0.245 116 I C 2.220 178.342 176.117 0.008 0.000 1.102 116 I CA 1.276 62.580 61.300 0.007 0.000 1.385 116 I CB -0.456 37.548 38.000 0.007 0.000 1.064 116 I HN -0.113 nan 8.210 nan 0.000 0.414 117 I N 0.839 121.416 120.570 0.011 0.000 2.226 117 I HA -0.277 3.893 4.170 0.000 0.000 0.245 117 I C 2.803 178.926 176.117 0.011 0.000 1.100 117 I CA 1.284 62.592 61.300 0.014 0.000 1.374 117 I CB -0.412 37.600 38.000 0.020 0.000 1.057 117 I HN 0.177 nan 8.210 nan 0.000 0.413 118 A N 0.423 123.249 122.820 0.009 0.000 1.902 118 A HA -0.227 4.093 4.320 0.000 0.000 0.217 118 A C 2.200 179.784 177.584 0.000 0.000 1.181 118 A CA 1.622 53.662 52.037 0.004 0.000 0.623 118 A CB -0.567 18.435 19.000 0.003 0.000 0.818 118 A HN 0.424 nan 8.150 nan 0.000 0.443 119 E N -0.346 119.854 120.200 0.001 0.000 2.058 119 E HA -0.163 4.187 4.350 0.000 0.000 0.194 119 E C 2.032 178.631 176.600 -0.000 0.000 0.997 119 E CA 1.512 57.912 56.400 -0.000 0.000 0.801 119 E CB -0.344 29.357 29.700 0.001 0.000 0.746 119 E HN 0.416 nan 8.360 nan 0.000 0.450 120 V N 1.432 121.348 119.914 0.002 0.000 2.287 120 V HA -0.310 3.810 4.120 0.000 0.000 0.248 120 V C 2.379 178.474 176.094 0.001 0.000 1.053 120 V CA 1.942 64.243 62.300 0.003 0.000 1.027 120 V CB -0.866 30.960 31.823 0.005 0.000 0.646 120 V HN 0.338 nan 8.190 nan 0.000 0.447 121 A N -0.176 122.644 122.820 0.001 0.000 1.908 121 A HA -0.309 4.011 4.320 0.000 0.000 0.218 121 A C 2.363 179.944 177.584 -0.006 0.000 1.181 121 A CA 2.418 54.454 52.037 -0.002 0.000 0.627 121 A CB -0.551 18.447 19.000 -0.004 0.000 0.818 121 A HN 0.558 nan 8.150 nan 0.000 0.445 122 K N -0.283 120.113 120.400 -0.008 0.000 2.026 122 K HA -0.219 4.101 4.320 0.000 0.000 0.208 122 K C 2.075 178.670 176.600 -0.007 0.000 1.048 122 K CA 1.748 58.029 56.287 -0.010 0.000 0.929 122 K CB -0.231 32.263 32.500 -0.010 0.000 0.713 122 K HN 0.602 nan 8.250 nan 0.000 0.439 123 E N 0.166 120.363 120.200 -0.005 0.000 2.160 123 E HA -0.187 4.163 4.350 0.000 0.000 0.195 123 E C 1.576 178.175 176.600 -0.002 0.000 0.991 123 E CA 1.344 57.742 56.400 -0.003 0.000 0.810 123 E CB 0.013 29.712 29.700 -0.002 0.000 0.742 123 E HN 0.398 nan 8.360 nan 0.000 0.466 124 M N -0.824 118.775 119.600 -0.002 0.000 2.561 124 M HA 0.151 4.631 4.480 0.000 0.000 0.238 124 M C 1.036 177.336 176.300 0.000 0.000 1.131 124 M CA 0.635 55.935 55.300 0.000 0.000 1.046 124 M CB 0.840 33.442 32.600 0.002 0.000 1.532 124 M HN 0.265 nan 8.290 nan 0.000 0.497 125 G N 2.226 111.024 108.800 -0.004 0.000 2.221 125 G HA2 -0.246 3.714 3.960 0.000 0.000 0.265 125 G HA3 -0.246 3.714 3.960 0.000 0.000 0.265 125 G C -0.107 174.792 174.900 -0.002 0.000 1.041 125 G CA -0.115 44.982 45.100 -0.005 0.000 0.807 125 G HN 0.497 nan 8.290 nan 0.000 0.502 126 I N 0.120 120.689 120.570 -0.002 0.000 2.359 126 I HA 0.365 4.535 4.170 0.000 0.000 0.294 126 I C 0.780 176.890 176.117 -0.012 0.000 0.987 126 I CA -1.246 60.056 61.300 0.004 0.000 1.225 126 I CB 1.460 39.462 38.000 0.004 0.000 1.366 126 I HN 0.118 nan 8.210 nan 0.000 0.466 127 L N 6.845 128.065 121.223 -0.005 0.000 2.559 127 L HA 0.126 4.466 4.340 0.000 0.000 0.274 127 L C -0.220 176.604 176.870 -0.077 0.000 1.205 127 L CA 1.238 56.053 54.840 -0.041 0.000 0.907 127 L CB 0.153 42.197 42.059 -0.025 0.000 1.153 127 L HN 0.579 nan 8.230 nan 0.000 0.490 128 T N 5.061 119.559 114.554 -0.092 0.000 2.840 128 T HA 0.565 4.915 4.350 0.000 0.000 0.287 128 T C -0.811 173.810 174.700 -0.132 0.000 0.991 128 T CA -0.438 61.594 62.100 -0.113 0.000 0.964 128 T CB 1.384 70.217 68.868 -0.058 0.000 0.954 128 T HN 0.350 nan 8.240 nan 0.000 0.438 129 V N 2.767 122.553 119.914 -0.213 0.000 2.378 129 V HA 0.747 4.867 4.120 0.000 0.000 0.288 129 V C 0.217 176.296 176.094 -0.025 0.000 1.016 129 V CA -0.985 61.221 62.300 -0.157 0.000 0.840 129 V CB 1.335 32.977 31.823 -0.302 0.000 0.994 129 V HN 1.072 nan 8.190 nan 0.000 0.431 130 A N 4.758 127.592 122.820 0.024 0.000 2.309 130 A HA 0.805 5.125 4.320 0.000 0.000 0.298 130 A C -0.496 177.146 177.584 0.098 0.000 1.165 130 A CA -0.435 51.641 52.037 0.065 0.000 0.821 130 A CB 1.107 20.129 19.000 0.037 0.000 1.102 130 A HN 0.765 nan 8.150 nan 0.000 0.500 131 V N 4.049 124.038 119.914 0.124 0.000 2.357 131 V HA 0.496 4.616 4.120 0.000 0.000 0.281 131 V C -0.092 176.043 176.094 0.069 0.000 1.015 131 V CA -0.381 61.984 62.300 0.108 0.000 0.827 131 V CB 0.593 32.504 31.823 0.145 0.000 1.018 131 V HN 1.045 nan 8.190 nan 0.000 0.432 132 V N 1.825 121.763 119.914 0.040 0.000 3.074 132 V HA 0.969 5.089 4.120 0.000 0.000 0.314 132 V C -0.016 176.075 176.094 -0.005 0.000 1.117 132 V CA -0.467 61.845 62.300 0.021 0.000 1.014 132 V CB 2.356 34.189 31.823 0.016 0.000 1.057 132 V HN 0.780 nan 8.190 nan 0.000 0.438 133 T N 0.438 114.981 114.554 -0.019 0.000 2.918 133 T HA 0.685 5.035 4.350 0.000 0.000 0.286 133 T C -0.308 174.347 174.700 -0.076 0.000 1.026 133 T CA -0.793 61.270 62.100 -0.062 0.000 1.031 133 T CB 1.705 70.529 68.868 -0.073 0.000 1.046 133 T HN 0.898 nan 8.240 nan 0.000 0.479 134 R N 1.850 122.275 120.500 -0.124 0.000 2.474 134 R HA 0.461 4.801 4.340 0.000 0.000 0.295 134 R C -2.598 173.587 176.300 -0.192 0.000 0.980 134 R CA -2.240 53.788 56.100 -0.120 0.000 0.934 134 R CB 1.183 31.416 30.300 -0.112 0.000 1.101 134 R HN 0.475 nan 8.270 nan 0.000 0.469 135 P HA -0.101 nan 4.420 nan 0.000 0.269 135 P C -0.627 176.504 177.300 -0.282 0.000 1.211 135 P CA 0.353 63.363 63.100 -0.150 0.000 0.781 135 P CB 0.356 32.017 31.700 -0.065 0.000 0.877 136 F N 2.231 121.948 119.950 -0.390 0.000 2.410 136 F HA 0.147 4.674 4.527 0.000 0.000 0.334 136 F C -0.579 174.914 175.800 -0.512 0.000 1.134 136 F CA -1.210 56.439 58.000 -0.585 0.000 1.227 136 F CB -0.131 38.082 39.000 -1.313 0.000 1.194 136 F HN 0.380 nan 8.300 nan 0.000 0.571 137 P HA -0.248 nan 4.420 nan 0.000 0.218 137 P C 1.401 178.709 177.300 0.014 0.000 1.148 137 P CA 1.671 64.756 63.100 -0.026 0.000 0.822 137 P CB -0.369 31.356 31.700 0.043 0.000 0.784 138 F N 0.658 120.672 119.950 0.107 0.000 2.641 138 F HA 0.089 4.617 4.527 0.000 0.000 0.298 138 F C 1.499 177.344 175.800 0.076 0.000 1.146 138 F CA 0.226 58.261 58.000 0.059 0.000 1.464 138 F CB -1.625 37.375 39.000 0.000 0.000 1.101 138 F HN -0.089 nan 8.300 nan 0.000 0.585 139 E N 0.842 121.020 120.200 -0.037 0.000 2.435 139 E HA 0.320 4.670 4.350 0.000 0.000 0.195 139 E C 1.088 177.738 176.600 0.083 0.000 1.029 139 E CA 0.379 56.830 56.400 0.084 0.000 0.865 139 E CB -0.130 29.562 29.700 -0.014 0.000 0.833 139 E HN 0.553 nan 8.360 nan 0.000 0.510 140 G N 1.059 109.894 108.800 0.060 0.000 2.629 140 G HA2 -0.227 3.733 3.960 0.000 0.000 0.686 140 G HA3 -0.227 3.733 3.960 0.000 0.000 0.686 140 G C -0.040 174.875 174.900 0.025 0.000 1.232 140 G CA -0.237 44.893 45.100 0.051 0.000 0.803 140 G HN 0.093 nan 8.290 nan 0.000 0.638 141 R N 0.563 121.078 120.500 0.024 0.000 2.092 141 R HA -0.084 4.256 4.340 0.000 0.000 0.231 141 R C 2.629 178.936 176.300 0.012 0.000 1.119 141 R CA 2.000 58.108 56.100 0.014 0.000 0.970 141 R CB -0.283 30.026 30.300 0.015 0.000 0.864 141 R HN 0.454 nan 8.270 nan 0.000 0.440 142 K N 1.044 121.455 120.400 0.017 0.000 2.020 142 K HA -0.162 4.157 4.320 0.000 0.000 0.212 142 K C 2.020 178.627 176.600 0.013 0.000 1.050 142 K CA 1.845 58.141 56.287 0.016 0.000 0.929 142 K CB -0.185 32.327 32.500 0.020 0.000 0.714 142 K HN 0.146 nan 8.250 nan 0.000 0.443 143 R N -0.748 119.761 120.500 0.016 0.000 2.092 143 R HA -0.077 4.263 4.340 0.000 0.000 0.231 143 R C 2.315 178.614 176.300 -0.001 0.000 1.119 143 R CA 1.523 57.630 56.100 0.012 0.000 0.970 143 R CB -0.346 29.966 30.300 0.022 0.000 0.864 143 R HN 0.236 nan 8.270 nan 0.000 0.440 144 M N 1.219 120.815 119.600 -0.007 0.000 2.213 144 M HA -0.158 4.322 4.480 0.000 0.000 0.263 144 M C 1.781 178.074 176.300 -0.012 0.000 1.062 144 M CA 1.764 57.053 55.300 -0.018 0.000 1.105 144 M CB 0.001 32.589 32.600 -0.021 0.000 1.385 144 M HN 0.047 nan 8.290 nan 0.000 0.417 145 Q N -0.532 119.265 119.800 -0.005 0.000 2.046 145 Q HA -0.099 4.241 4.340 0.000 0.000 0.200 145 Q C 2.137 178.136 176.000 -0.002 0.000 0.975 145 Q CA 1.798 57.599 55.803 -0.003 0.000 0.836 145 Q CB -0.241 28.498 28.738 0.001 0.000 0.896 145 Q HN 0.531 nan 8.270 nan 0.000 0.428 146 I N 0.805 121.375 120.570 0.000 0.000 2.226 146 I HA -0.291 3.879 4.170 0.000 0.000 0.245 146 I C 2.453 178.569 176.117 -0.002 0.000 1.100 146 I CA 0.964 62.265 61.300 0.001 0.000 1.374 146 I CB -0.431 37.571 38.000 0.005 0.000 1.057 146 I HN 0.179 nan 8.210 nan 0.000 0.413 147 A N 0.584 123.401 122.820 -0.006 0.000 1.883 147 A HA -0.254 4.066 4.320 0.000 0.000 0.217 147 A C 2.003 179.581 177.584 -0.011 0.000 1.186 147 A CA 2.099 54.130 52.037 -0.010 0.000 0.624 147 A CB -0.664 18.324 19.000 -0.020 0.000 0.822 147 A HN 0.371 nan 8.150 nan 0.000 0.444 148 D N -0.703 119.689 120.400 -0.012 0.000 2.123 148 D HA -0.168 4.472 4.640 0.000 0.000 0.196 148 D C 1.925 178.221 176.300 -0.007 0.000 0.992 148 D CA 1.760 55.753 54.000 -0.011 0.000 0.833 148 D CB -0.232 40.561 40.800 -0.011 0.000 0.954 148 D HN 0.612 nan 8.370 nan 0.000 0.455 149 E N 0.915 121.112 120.200 -0.005 0.000 2.047 149 E HA -0.094 4.256 4.350 0.000 0.000 0.191 149 E C 2.175 178.774 176.600 -0.002 0.000 0.987 149 E CA 1.756 58.155 56.400 -0.002 0.000 0.799 149 E CB -0.831 28.869 29.700 -0.001 0.000 0.752 149 E HN 0.196 nan 8.360 nan 0.000 0.449 150 G N 0.777 109.576 108.800 -0.001 0.000 2.422 150 G HA2 -0.224 3.736 3.960 0.000 0.000 0.218 150 G HA3 -0.224 3.736 3.960 0.000 0.000 0.218 150 G C 1.757 176.656 174.900 -0.000 0.000 1.146 150 G CA 0.979 46.079 45.100 0.000 0.000 0.769 150 G HN 0.349 nan 8.290 nan 0.000 0.547 151 I N -0.058 120.511 120.570 -0.003 0.000 2.315 151 I HA -0.115 4.055 4.170 0.000 0.000 0.248 151 I C 2.873 178.988 176.117 -0.003 0.000 1.117 151 I CA 0.779 62.077 61.300 -0.003 0.000 1.404 151 I CB -0.180 37.815 38.000 -0.008 0.000 1.071 151 I HN 0.103 nan 8.210 nan 0.000 0.419 152 R N 1.507 122.005 120.500 -0.003 0.000 2.075 152 R HA -0.149 4.191 4.340 0.000 0.000 0.232 152 R C 2.235 178.534 176.300 -0.002 0.000 1.126 152 R CA 1.733 57.831 56.100 -0.003 0.000 0.963 152 R CB -0.248 30.050 30.300 -0.003 0.000 0.858 152 R HN 0.338 nan 8.270 nan 0.000 0.435 153 A N 1.104 123.923 122.820 -0.001 0.000 1.969 153 A HA -0.131 4.189 4.320 0.000 0.000 0.218 153 A C 2.060 179.644 177.584 0.000 0.000 1.169 153 A CA 0.893 52.930 52.037 -0.000 0.000 0.635 153 A CB -0.424 18.577 19.000 0.001 0.000 0.810 153 A HN 0.339 nan 8.150 nan 0.000 0.445 154 L N -0.219 121.005 121.223 0.001 0.000 2.056 154 L HA 0.031 4.371 4.340 0.000 0.000 0.207 154 L C 2.616 179.486 176.870 -0.000 0.000 1.078 154 L CA 1.997 56.838 54.840 0.002 0.000 0.749 154 L CB -0.800 41.262 42.059 0.005 0.000 0.901 154 L HN 0.321 nan 8.230 nan 0.000 0.433 155 A N -0.910 121.909 122.820 -0.001 0.000 2.131 155 A HA -0.209 4.111 4.320 0.000 0.000 0.220 155 A C 2.017 179.598 177.584 -0.005 0.000 1.158 155 A CA 1.643 53.678 52.037 -0.003 0.000 0.665 155 A CB -0.636 18.362 19.000 -0.004 0.000 0.795 155 A HN 0.663 nan 8.150 nan 0.000 0.460 156 E N -0.103 120.094 120.200 -0.004 0.000 2.427 156 E HA -0.048 4.302 4.350 0.000 0.000 0.196 156 E C 1.186 177.782 176.600 -0.006 0.000 1.028 156 E CA 0.934 57.331 56.400 -0.005 0.000 0.864 156 E CB -0.012 29.686 29.700 -0.004 0.000 0.813 156 E HN 0.741 nan 8.360 nan 0.000 0.514 157 S N -0.715 114.981 115.700 -0.006 0.000 2.960 157 S HA 0.164 4.634 4.470 0.000 0.000 0.256 157 S C 0.164 174.757 174.600 -0.012 0.000 1.017 157 S CA -0.610 57.586 58.200 -0.008 0.000 1.144 157 S CB 0.093 63.290 63.200 -0.005 0.000 1.109 157 S HN 0.064 nan 8.310 nan 0.000 0.638 158 V N -1.317 118.590 119.914 -0.013 0.000 2.769 158 V HA 0.588 4.708 4.120 0.000 0.000 0.312 158 V C 0.379 176.458 176.094 -0.025 0.000 1.058 158 V CA -0.703 61.586 62.300 -0.019 0.000 0.952 158 V CB 1.532 33.347 31.823 -0.014 0.000 1.019 158 V HN 0.055 nan 8.190 nan 0.000 0.445 159 D N 1.486 121.863 120.400 -0.037 0.000 2.103 159 D HA 0.019 4.659 4.640 0.000 0.000 0.199 159 D C 0.520 176.802 176.300 -0.031 0.000 0.978 159 D CA 1.514 55.491 54.000 -0.039 0.000 0.829 159 D CB 0.468 41.235 40.800 -0.055 0.000 0.981 159 D HN 0.622 nan 8.370 nan 0.000 0.464 160 S N -0.072 115.609 115.700 -0.033 0.000 2.557 160 S HA 0.404 4.874 4.470 0.000 0.000 0.291 160 S C -1.070 173.528 174.600 -0.005 0.000 1.116 160 S CA -0.674 57.516 58.200 -0.016 0.000 0.992 160 S CB 2.478 65.670 63.200 -0.013 0.000 1.028 160 S HN 0.055 nan 8.310 nan 0.000 0.484 161 L N 4.827 126.053 121.223 0.005 0.000 2.337 161 L HA 0.594 4.934 4.340 0.000 0.000 0.269 161 L C -1.139 175.744 176.870 0.021 0.000 1.018 161 L CA -0.352 54.496 54.840 0.014 0.000 0.876 161 L CB 0.034 42.097 42.059 0.007 0.000 1.236 161 L HN 0.635 nan 8.230 nan 0.000 0.436 162 I N 4.124 124.716 120.570 0.037 0.000 2.396 162 I HA 0.176 4.346 4.170 0.000 0.000 0.289 162 I C 0.246 176.378 176.117 0.025 0.000 1.056 162 I CA 0.168 61.491 61.300 0.039 0.000 1.365 162 I CB 0.794 38.833 38.000 0.065 0.000 1.407 162 I HN 0.532 nan 8.210 nan 0.000 0.509 163 T N 7.685 122.245 114.554 0.010 0.000 2.794 163 T HA 0.552 4.902 4.350 0.000 0.000 0.280 163 T C -0.002 174.687 174.700 -0.018 0.000 0.987 163 T CA -0.298 61.798 62.100 -0.007 0.000 0.993 163 T CB 0.999 69.858 68.868 -0.014 0.000 0.939 163 T HN 0.295 nan 8.240 nan 0.000 0.449 164 I N 6.361 126.910 120.570 -0.035 0.000 2.428 164 I HA 0.268 4.438 4.170 0.000 0.000 0.279 164 I C -2.152 173.901 176.117 -0.106 0.000 1.040 164 I CA -2.461 58.805 61.300 -0.056 0.000 1.171 164 I CB 1.786 39.759 38.000 -0.046 0.000 1.312 164 I HN 0.295 nan 8.210 nan 0.000 0.470 165 P HA 0.122 nan 4.420 nan 0.000 0.275 165 P C -0.068 177.078 177.300 -0.257 0.000 1.276 165 P CA -0.153 62.850 63.100 -0.162 0.000 0.782 165 P CB 0.738 32.373 31.700 -0.108 0.000 0.851 166 N N 2.652 121.075 118.700 -0.462 0.000 2.258 166 N HA -0.202 4.538 4.740 0.000 0.000 0.187 166 N C 1.534 176.671 175.510 -0.623 0.000 1.012 166 N CA 1.163 53.687 53.050 -0.877 0.000 0.870 166 N CB -0.356 36.940 38.487 -1.986 0.000 0.977 166 N HN 0.502 nan 8.380 nan 0.000 0.434 167 E N 1.617 121.611 120.200 -0.343 0.000 2.097 167 E HA -0.161 4.189 4.350 0.000 0.000 0.196 167 E C 1.376 177.964 176.600 -0.021 0.000 1.000 167 E CA 1.384 57.734 56.400 -0.083 0.000 0.804 167 E CB 0.018 29.680 29.700 -0.064 0.000 0.740 167 E HN 0.111 nan 8.360 nan 0.000 0.454 168 K N 0.143 120.505 120.400 -0.063 0.000 2.211 168 K HA -0.063 4.257 4.320 0.000 0.000 0.203 168 K C 2.233 178.835 176.600 0.003 0.000 1.050 168 K CA 0.849 57.121 56.287 -0.025 0.000 0.945 168 K CB -0.383 32.095 32.500 -0.038 0.000 0.732 168 K HN 0.313 nan 8.250 nan 0.000 0.451 169 L N 0.357 121.580 121.223 -0.001 0.000 2.131 169 L HA -0.175 4.165 4.340 0.000 0.000 0.210 169 L C 2.079 179.018 176.870 0.115 0.000 1.092 169 L CA 0.451 55.327 54.840 0.061 0.000 0.759 169 L CB -0.457 41.655 42.059 0.088 0.000 0.903 169 L HN 0.035 nan 8.230 nan 0.000 0.435 170 L N -0.504 120.816 121.223 0.161 0.000 2.093 170 L HA -0.144 4.196 4.340 0.000 0.000 0.208 170 L C 2.604 179.514 176.870 0.068 0.000 1.085 170 L CA 1.822 56.741 54.840 0.131 0.000 0.755 170 L CB -1.298 40.860 42.059 0.164 0.000 0.904 170 L HN 0.195 nan 8.230 nan 0.000 0.435 171 T N -0.294 114.292 114.554 0.053 0.000 2.674 171 T HA -0.150 4.200 4.350 0.000 0.000 0.265 171 T C 2.029 176.745 174.700 0.027 0.000 1.039 171 T CA 1.527 63.646 62.100 0.032 0.000 1.150 171 T CB -0.233 68.648 68.868 0.023 0.000 0.864 171 T HN 0.184 nan 8.240 nan 0.000 0.427 172 I N 0.792 121.379 120.570 0.028 0.000 2.163 172 I HA -0.173 3.997 4.170 0.000 0.000 0.243 172 I C 2.341 178.472 176.117 0.023 0.000 1.085 172 I CA 1.381 62.694 61.300 0.023 0.000 1.347 172 I CB -0.467 37.547 38.000 0.023 0.000 1.044 172 I HN 0.195 nan 8.210 nan 0.000 0.408 173 L N 0.041 121.283 121.223 0.031 0.000 2.056 173 L HA -0.037 4.303 4.340 0.000 0.000 0.207 173 L C 1.801 178.679 176.870 0.013 0.000 1.078 173 L CA 1.005 55.858 54.840 0.022 0.000 0.749 173 L CB -1.184 40.889 42.059 0.023 0.000 0.901 173 L HN 0.557 nan 8.230 nan 0.000 0.433 174 G N 0.297 109.107 108.800 0.015 0.000 2.583 174 G HA2 -0.419 3.541 3.960 0.000 0.000 0.292 174 G HA3 -0.419 3.541 3.960 0.000 0.000 0.292 174 G C 0.973 175.872 174.900 -0.001 0.000 1.203 174 G CA 0.544 45.649 45.100 0.009 0.000 0.987 174 G HN 0.160 nan 8.290 nan 0.000 0.554 175 K N 1.036 121.434 120.400 -0.003 0.000 2.209 175 K HA -0.075 4.245 4.320 0.000 0.000 0.204 175 K C 1.686 178.278 176.600 -0.015 0.000 1.048 175 K CA 1.971 58.252 56.287 -0.010 0.000 0.940 175 K CB -0.520 31.976 32.500 -0.008 0.000 0.729 175 K HN 0.461 nan 8.250 nan 0.000 0.451 176 D N 0.690 121.083 120.400 -0.010 0.000 2.352 176 D HA 0.026 4.666 4.640 0.000 0.000 0.232 176 D C 0.052 176.338 176.300 -0.023 0.000 1.055 176 D CA 0.157 54.150 54.000 -0.013 0.000 0.891 176 D CB -0.017 40.781 40.800 -0.004 0.000 0.897 176 D HN 0.166 nan 8.370 nan 0.000 0.529 177 A N 0.568 123.369 122.820 -0.031 0.000 2.388 177 A HA 0.561 4.881 4.320 0.000 0.000 0.257 177 A C 0.614 178.148 177.584 -0.084 0.000 1.095 177 A CA -0.187 51.817 52.037 -0.055 0.000 0.791 177 A CB 0.478 19.448 19.000 -0.050 0.000 1.029 177 A HN 0.160 nan 8.150 nan 0.000 0.489 178 S N 1.569 117.197 115.700 -0.120 0.000 2.611 178 S HA 0.414 4.884 4.470 0.000 0.000 0.268 178 S C 0.464 174.944 174.600 -0.200 0.000 1.156 178 S CA -0.455 57.662 58.200 -0.138 0.000 0.817 178 S CB 0.487 63.636 63.200 -0.085 0.000 1.122 178 S HN 0.915 nan 8.310 nan 0.000 0.466 179 L N 0.694 121.791 121.223 -0.211 0.000 1.994 179 L HA 0.003 4.343 4.340 0.000 0.000 0.208 179 L C 1.963 178.783 176.870 -0.082 0.000 1.071 179 L CA 1.799 56.499 54.840 -0.232 0.000 0.745 179 L CB -1.146 40.813 42.059 -0.167 0.000 0.892 179 L HN 0.817 nan 8.230 nan 0.000 0.431 180 L N 0.031 121.246 121.223 -0.013 0.000 2.046 180 L HA -0.166 4.174 4.340 0.000 0.000 0.208 180 L C 2.831 179.726 176.870 0.042 0.000 1.077 180 L CA 1.840 56.714 54.840 0.057 0.000 0.747 180 L CB -1.452 40.626 42.059 0.032 0.000 0.896 180 L HN 0.326 nan 8.230 nan 0.000 0.432 181 A N -0.474 122.337 122.820 -0.015 0.000 1.930 181 A HA -0.098 4.222 4.320 0.000 0.000 0.217 181 A C 2.510 180.081 177.584 -0.022 0.000 1.175 181 A CA 1.531 53.561 52.037 -0.012 0.000 0.627 181 A CB -0.474 18.510 19.000 -0.026 0.000 0.815 181 A HN 0.421 nan 8.150 nan 0.000 0.443 182 A N -0.859 121.889 122.820 -0.120 0.000 1.877 182 A HA -0.055 4.265 4.320 0.000 0.000 0.216 182 A C 1.990 179.558 177.584 -0.027 0.000 1.186 182 A CA 1.537 53.465 52.037 -0.182 0.000 0.620 182 A CB -0.789 17.800 19.000 -0.686 0.000 0.822 182 A HN 0.520 nan 8.150 nan 0.000 0.443 183 F N -0.276 119.746 119.950 0.121 0.000 2.367 183 F HA 0.052 4.579 4.527 -0.000 0.000 0.298 183 F C 2.693 178.527 175.800 0.057 0.000 1.094 183 F CA 0.479 58.572 58.000 0.156 0.000 1.409 183 F CB -0.022 39.049 39.000 0.119 0.000 1.064 183 F HN 0.275 nan 8.300 nan 0.000 0.528 184 A N -0.189 122.734 122.820 0.172 0.000 1.930 184 A HA -0.162 4.158 4.320 0.000 0.000 0.217 184 A C 2.280 179.854 177.584 -0.017 0.000 1.175 184 A CA 1.273 53.338 52.037 0.048 0.000 0.627 184 A CB -0.391 18.635 19.000 0.043 0.000 0.815 184 A HN 0.056 nan 8.150 nan 0.000 0.443 185 K N 0.184 120.605 120.400 0.036 0.000 2.057 185 K HA 0.005 4.325 4.320 0.000 0.000 0.206 185 K C 2.188 178.799 176.600 0.019 0.000 1.050 185 K CA 1.375 57.676 56.287 0.024 0.000 0.935 185 K CB -0.669 31.866 32.500 0.058 0.000 0.715 185 K HN 0.361 nan 8.250 nan 0.000 0.439 186 A N 1.739 124.610 122.820 0.085 0.000 1.883 186 A HA -0.202 4.118 4.320 0.000 0.000 0.217 186 A C 1.815 179.399 177.584 0.001 0.000 1.186 186 A CA 2.120 54.200 52.037 0.072 0.000 0.624 186 A CB -0.600 18.515 19.000 0.192 0.000 0.822 186 A HN 0.327 nan 8.150 nan 0.000 0.444 187 D N -0.309 120.062 120.400 -0.048 0.000 2.092 187 D HA -0.178 4.462 4.640 0.000 0.000 0.193 187 D C 1.628 177.753 176.300 -0.292 0.000 0.994 187 D CA 1.816 55.701 54.000 -0.191 0.000 0.828 187 D CB -0.632 39.957 40.800 -0.353 0.000 0.963 187 D HN 0.643 nan 8.370 nan 0.000 0.450 188 D N -0.190 119.991 120.400 -0.365 0.000 2.117 188 D HA -0.123 4.517 4.640 0.000 0.000 0.197 188 D C 1.989 178.269 176.300 -0.033 0.000 0.987 188 D CA 0.855 54.745 54.000 -0.183 0.000 0.829 188 D CB 0.187 40.931 40.800 -0.094 0.000 0.961 188 D HN -0.043 nan 8.370 nan 0.000 0.460 189 V N 0.359 120.255 119.914 -0.031 0.000 2.358 189 V HA -0.201 3.919 4.120 0.000 0.000 0.246 189 V C 2.541 178.637 176.094 0.002 0.000 1.047 189 V CA 1.222 63.520 62.300 -0.004 0.000 1.035 189 V CB -0.496 31.324 31.823 -0.005 0.000 0.658 189 V HN 0.334 nan 8.190 nan 0.000 0.452 190 L N 0.159 121.381 121.223 -0.003 0.000 2.083 190 L HA -0.175 4.165 4.340 0.000 0.000 0.209 190 L C 2.693 179.570 176.870 0.010 0.000 1.083 190 L CA 1.595 56.441 54.840 0.010 0.000 0.752 190 L CB -0.741 41.328 42.059 0.016 0.000 0.899 190 L HN 0.363 nan 8.230 nan 0.000 0.433 191 A N 0.103 122.941 122.820 0.029 0.000 1.930 191 A HA -0.101 4.219 4.320 0.000 0.000 0.217 191 A C 2.401 179.992 177.584 0.012 0.000 1.175 191 A CA 1.597 53.665 52.037 0.052 0.000 0.627 191 A CB -1.156 17.942 19.000 0.164 0.000 0.815 191 A HN 0.439 nan 8.150 nan 0.000 0.443 192 G N -0.554 108.256 108.800 0.016 0.000 2.408 192 G HA2 0.043 4.003 3.960 0.000 0.000 0.217 192 G HA3 0.043 4.003 3.960 0.000 0.000 0.217 192 G C 1.696 176.593 174.900 -0.006 0.000 1.150 192 G CA 1.355 46.457 45.100 0.004 0.000 0.776 192 G HN 0.739 nan 8.290 nan 0.000 0.542 193 A N 0.278 123.097 122.820 -0.002 0.000 1.855 193 A HA 0.074 4.394 4.320 0.000 0.000 0.215 193 A C 2.604 180.162 177.584 -0.043 0.000 1.191 193 A CA 1.852 53.897 52.037 0.012 0.000 0.613 193 A CB -0.760 18.264 19.000 0.040 0.000 0.829 193 A HN 0.240 nan 8.150 nan 0.000 0.442 194 V N 0.150 119.960 119.914 -0.172 0.000 2.343 194 V HA -0.255 3.865 4.120 0.000 0.000 0.247 194 V C 2.675 178.568 176.094 -0.336 0.000 1.051 194 V CA 2.316 64.300 62.300 -0.528 0.000 1.036 194 V CB -0.840 30.654 31.823 -0.548 0.000 0.654 194 V HN 0.643 nan 8.190 nan 0.000 0.451 195 R N 0.236 120.646 120.500 -0.151 0.000 2.073 195 R HA -0.128 4.212 4.340 0.000 0.000 0.234 195 R C 2.390 178.665 176.300 -0.042 0.000 1.134 195 R CA 1.733 57.784 56.100 -0.082 0.000 0.952 195 R CB -0.782 29.491 30.300 -0.045 0.000 0.850 195 R HN 0.533 nan 8.270 nan 0.000 0.433 196 G N 0.974 109.764 108.800 -0.018 0.000 2.440 196 G HA2 -0.239 3.721 3.960 0.000 0.000 0.218 196 G HA3 -0.239 3.721 3.960 0.000 0.000 0.218 196 G C 1.436 176.371 174.900 0.057 0.000 1.154 196 G CA 1.046 46.159 45.100 0.021 0.000 0.767 196 G HN 0.301 nan 8.290 nan 0.000 0.552 197 I N 0.385 121.009 120.570 0.090 0.000 2.296 197 I HA -0.071 4.099 4.170 0.000 0.000 0.242 197 I C 2.988 179.214 176.117 0.182 0.000 1.087 197 I CA 0.854 62.265 61.300 0.185 0.000 1.393 197 I CB -0.299 37.920 38.000 0.366 0.000 1.093 197 I HN 0.058 nan 8.210 nan 0.000 0.421 198 S N 0.627 116.407 115.700 0.133 0.000 2.383 198 S HA -0.220 4.250 4.470 0.000 0.000 0.229 198 S C 1.598 176.221 174.600 0.038 0.000 1.030 198 S CA 1.612 59.866 58.200 0.089 0.000 1.002 198 S CB -0.376 62.797 63.200 -0.044 0.000 0.829 198 S HN 0.405 nan 8.310 nan 0.000 0.467 199 D N 1.165 121.577 120.400 0.020 0.000 2.144 199 D HA -0.041 4.599 4.640 0.000 0.000 0.199 199 D C 1.804 178.123 176.300 0.033 0.000 0.984 199 D CA 0.625 54.633 54.000 0.014 0.000 0.834 199 D CB -0.249 40.554 40.800 0.006 0.000 0.955 199 D HN 0.242 nan 8.370 nan 0.000 0.465 200 I N 0.663 121.268 120.570 0.058 0.000 2.286 200 I HA -0.190 3.980 4.170 0.000 0.000 0.248 200 I C 2.325 178.485 176.117 0.072 0.000 1.115 200 I CA 0.856 62.199 61.300 0.071 0.000 1.392 200 I CB -0.693 37.364 38.000 0.094 0.000 1.065 200 I HN 0.075 nan 8.210 nan 0.000 0.418 201 I N 0.088 120.702 120.570 0.072 0.000 2.400 201 I HA -0.182 3.988 4.170 0.000 0.000 0.248 201 I C 2.249 178.356 176.117 -0.016 0.000 1.109 201 I CA 0.855 62.181 61.300 0.043 0.000 1.425 201 I CB -0.183 37.822 38.000 0.009 0.000 1.094 201 I HN 0.067 nan 8.210 nan 0.000 0.425 202 K N 0.995 121.383 120.400 -0.019 0.000 2.242 202 K HA 0.152 4.471 4.320 0.000 0.000 0.200 202 K C 0.779 177.367 176.600 -0.020 0.000 1.050 202 K CA 0.672 56.937 56.287 -0.036 0.000 0.981 202 K CB 0.160 32.631 32.500 -0.047 0.000 0.795 202 K HN 0.275 nan 8.250 nan 0.000 0.477 203 R N 1.247 121.744 120.500 -0.006 0.000 2.734 203 R HA 0.183 4.523 4.340 0.000 0.000 0.395 203 R C -2.496 173.808 176.300 0.007 0.000 1.096 203 R CA -1.069 55.029 56.100 -0.003 0.000 1.071 203 R CB 0.726 31.023 30.300 -0.005 0.000 1.348 203 R HN 0.039 nan 8.270 nan 0.000 0.600 204 P HA -0.001 nan 4.420 nan 0.000 0.268 204 P C 0.297 177.602 177.300 0.008 0.000 1.205 204 P CA 0.414 63.526 63.100 0.020 0.000 0.771 204 P CB 1.497 33.214 31.700 0.028 0.000 0.858 205 G N 2.207 111.011 108.800 0.006 0.000 2.719 205 G HA2 0.113 4.073 3.960 0.000 0.000 0.211 205 G HA3 0.113 4.073 3.960 0.000 0.000 0.211 205 G C 0.628 175.511 174.900 -0.029 0.000 1.140 205 G CA 0.060 45.154 45.100 -0.009 0.000 0.790 205 G HN 0.389 nan 8.290 nan 0.000 0.529 206 M N -0.130 119.451 119.600 -0.031 0.000 2.811 206 M HA 0.431 4.911 4.480 0.000 0.000 0.303 206 M C 0.773 177.060 176.300 -0.022 0.000 1.227 206 M CA -0.707 54.560 55.300 -0.056 0.000 0.874 206 M CB 2.149 34.684 32.600 -0.108 0.000 1.681 206 M HN 0.072 nan 8.290 nan 0.000 0.500 207 I N -1.211 119.345 120.570 -0.024 0.000 3.941 207 I HA 0.179 4.349 4.170 0.000 0.000 0.335 207 I C 1.018 177.140 176.117 0.009 0.000 1.402 207 I CA -0.220 61.078 61.300 -0.003 0.000 1.112 207 I CB -0.398 37.598 38.000 -0.007 0.000 1.043 207 I HN 0.671 nan 8.210 nan 0.000 0.395 208 N N 1.661 120.368 118.700 0.012 0.000 2.424 208 N HA 0.005 4.745 4.740 0.000 0.000 0.178 208 N C 0.251 175.789 175.510 0.046 0.000 1.060 208 N CA 0.336 53.405 53.050 0.031 0.000 0.901 208 N CB 0.287 38.802 38.487 0.045 0.000 0.979 208 N HN 0.318 nan 8.380 nan 0.000 0.451 209 V N 2.450 122.395 119.914 0.052 0.000 2.407 209 V HA 0.254 4.374 4.120 0.000 0.000 0.291 209 V C -0.931 175.205 176.094 0.070 0.000 1.018 209 V CA -0.960 61.378 62.300 0.063 0.000 0.842 209 V CB 1.345 33.213 31.823 0.076 0.000 0.996 209 V HN 0.269 nan 8.190 nan 0.000 0.426 210 D N 2.517 122.962 120.400 0.074 0.000 2.449 210 D HA 0.281 4.921 4.640 0.000 0.000 0.250 210 D C 1.057 177.456 176.300 0.165 0.000 1.050 210 D CA -0.987 53.075 54.000 0.104 0.000 1.024 210 D CB 0.974 41.823 40.800 0.082 0.000 1.218 210 D HN 0.298 nan 8.370 nan 0.000 0.566 211 F N 0.397 120.353 119.950 0.011 0.000 2.115 211 F HA -0.256 4.271 4.527 -0.000 0.000 0.300 211 F C 2.216 178.018 175.800 0.003 0.000 1.092 211 F CA 1.786 59.791 58.000 0.008 0.000 1.245 211 F CB 0.039 39.041 39.000 0.003 0.000 0.995 211 F HN 0.450 nan 8.300 nan 0.000 0.481 212 A N 0.018 122.798 122.820 -0.066 0.000 1.940 212 A HA -0.241 4.079 4.320 0.000 0.000 0.219 212 A C 1.871 179.373 177.584 -0.135 0.000 1.176 212 A CA 2.024 53.951 52.037 -0.184 0.000 0.631 212 A CB -0.896 18.058 19.000 -0.078 0.000 0.814 212 A HN 0.482 nan 8.150 nan 0.000 0.446 213 D N -0.312 120.062 120.400 -0.044 0.000 2.144 213 D HA -0.084 4.556 4.640 0.000 0.000 0.200 213 D C 2.049 178.334 176.300 -0.024 0.000 0.978 213 D CA 1.413 55.401 54.000 -0.020 0.000 0.833 213 D CB -0.226 40.587 40.800 0.021 0.000 0.961 213 D HN 0.274 nan 8.370 nan 0.000 0.470 214 V N 1.184 121.093 119.914 -0.009 0.000 2.379 214 V HA -0.192 3.928 4.120 0.000 0.000 0.245 214 V C 2.490 178.537 176.094 -0.078 0.000 1.044 214 V CA 1.297 63.606 62.300 0.015 0.000 1.036 214 V CB -0.383 31.526 31.823 0.143 0.000 0.664 214 V HN 0.115 nan 8.190 nan 0.000 0.453 215 K N -0.081 120.175 120.400 -0.240 0.000 2.103 215 K HA -0.196 4.124 4.320 0.000 0.000 0.207 215 K C 2.163 178.667 176.600 -0.160 0.000 1.048 215 K CA 1.933 58.044 56.287 -0.294 0.000 0.930 215 K CB -0.260 31.937 32.500 -0.504 0.000 0.716 215 K HN 0.477 nan 8.250 nan 0.000 0.444 216 T N 0.558 115.037 114.554 -0.125 0.000 2.788 216 T HA -0.115 4.235 4.350 0.000 0.000 0.268 216 T C 1.669 176.342 174.700 -0.045 0.000 1.044 216 T CA 1.586 63.642 62.100 -0.074 0.000 1.139 216 T CB -0.077 68.758 68.868 -0.054 0.000 0.867 216 T HN 0.291 nan 8.240 nan 0.000 0.454 217 V N -2.167 117.727 119.914 -0.033 0.000 3.406 217 V HA 0.246 4.366 4.120 0.000 0.000 0.263 217 V C 1.951 178.036 176.094 -0.014 0.000 1.172 217 V CA 0.743 63.036 62.300 -0.012 0.000 1.140 217 V CB -0.452 31.375 31.823 0.007 0.000 0.784 217 V HN 0.219 nan 8.190 nan 0.000 0.467 218 M N 0.516 120.097 119.600 -0.032 0.000 2.691 218 M HA 0.379 4.859 4.480 0.000 0.000 0.261 218 M C 1.372 177.643 176.300 -0.049 0.000 1.227 218 M CA 0.628 55.906 55.300 -0.036 0.000 1.197 218 M CB 0.181 32.754 32.600 -0.046 0.000 1.294 218 M HN 0.353 nan 8.290 nan 0.000 0.508 219 S N 2.041 117.701 115.700 -0.066 0.000 2.546 219 S HA -0.005 4.465 4.470 0.000 0.000 0.290 219 S C 0.067 174.641 174.600 -0.044 0.000 1.290 219 S CA -0.055 58.107 58.200 -0.064 0.000 1.069 219 S CB -0.089 63.062 63.200 -0.081 0.000 0.846 219 S HN 0.468 nan 8.310 nan 0.000 0.495 220 E N 2.677 122.854 120.200 -0.038 0.000 2.238 220 E HA -0.256 4.094 4.350 0.000 0.000 0.219 220 E C 0.058 176.645 176.600 -0.021 0.000 1.275 220 E CA 0.749 57.132 56.400 -0.027 0.000 0.714 220 E CB -1.839 27.845 29.700 -0.026 0.000 1.154 220 E HN 0.721 nan 8.360 nan 0.000 0.363 221 M N -0.988 118.601 119.600 -0.019 0.000 2.615 221 M HA 0.209 4.689 4.480 0.000 0.000 0.262 221 M C 1.246 177.542 176.300 -0.007 0.000 1.198 221 M CA 1.635 56.928 55.300 -0.011 0.000 1.165 221 M CB 0.706 33.301 32.600 -0.009 0.000 1.310 221 M HN 0.525 nan 8.290 nan 0.000 0.494 222 G N 0.158 108.952 108.800 -0.009 0.000 2.513 222 G HA2 -0.210 3.750 3.960 0.000 0.000 0.227 222 G HA3 -0.210 3.750 3.960 0.000 0.000 0.227 222 G C -0.424 174.474 174.900 -0.002 0.000 1.176 222 G CA -0.313 44.784 45.100 -0.006 0.000 0.967 222 G HN 0.244 nan 8.290 nan 0.000 0.587 223 M N 1.742 121.342 119.600 -0.000 0.000 2.248 223 M HA 0.629 5.109 4.480 0.000 0.000 0.337 223 M C 0.713 177.017 176.300 0.007 0.000 1.121 223 M CA 1.243 56.545 55.300 0.003 0.000 1.155 223 M CB 0.741 33.341 32.600 0.001 0.000 1.514 223 M HN 1.895 nan 8.290 nan 0.000 0.452 224 A N 4.072 126.898 122.820 0.011 0.000 2.593 224 A HA 0.960 5.280 4.320 0.000 0.000 0.290 224 A C -1.336 176.258 177.584 0.016 0.000 1.126 224 A CA -0.820 51.227 52.037 0.016 0.000 0.695 224 A CB 1.710 20.724 19.000 0.023 0.000 1.290 224 A HN 0.732 nan 8.150 nan 0.000 0.414 225 M N 0.445 120.056 119.600 0.018 0.000 2.578 225 M HA 0.523 5.003 4.480 0.000 0.000 0.276 225 M C -0.999 175.312 176.300 0.018 0.000 1.245 225 M CA -0.331 54.978 55.300 0.015 0.000 0.871 225 M CB 2.485 35.089 32.600 0.007 0.000 1.722 225 M HN 0.983 nan 8.290 nan 0.000 0.473 226 M N 0.126 119.736 119.600 0.016 0.000 2.658 226 M HA 1.030 5.510 4.480 0.000 0.000 0.295 226 M C -0.711 175.593 176.300 0.006 0.000 1.248 226 M CA -0.557 54.752 55.300 0.016 0.000 0.843 226 M CB 2.630 35.246 32.600 0.028 0.000 1.749 226 M HN 0.617 nan 8.290 nan 0.000 0.464 227 G N 0.271 109.073 108.800 0.003 0.000 2.682 227 G HA2 0.706 4.666 3.960 0.000 0.000 0.300 227 G HA3 0.706 4.666 3.960 0.000 0.000 0.300 227 G C -1.430 173.471 174.900 0.002 0.000 1.391 227 G CA -0.519 44.578 45.100 -0.004 0.000 0.990 227 G HN 1.012 nan 8.290 nan 0.000 0.501 228 T N -1.593 112.966 114.554 0.009 0.000 2.907 228 T HA 0.897 5.247 4.350 0.000 0.000 0.292 228 T C -0.005 174.706 174.700 0.019 0.000 1.043 228 T CA -0.420 61.695 62.100 0.025 0.000 1.003 228 T CB 2.337 71.233 68.868 0.046 0.000 1.084 228 T HN 1.667 nan 8.240 nan 0.000 0.483 229 G N -0.418 108.398 108.800 0.026 0.000 2.698 229 G HA2 0.643 4.603 3.960 0.000 0.000 0.293 229 G HA3 0.643 4.603 3.960 0.000 0.000 0.293 229 G C -0.822 174.066 174.900 -0.020 0.000 1.437 229 G CA -0.380 44.719 45.100 -0.001 0.000 0.852 229 G HN 1.663 nan 8.290 nan 0.000 0.499 230 C N -0.756 118.495 119.300 -0.082 0.000 3.086 230 C HA 1.046 5.506 4.460 0.000 0.000 0.311 230 C C -0.016 174.870 174.990 -0.172 0.000 1.260 230 C CA -0.174 58.703 59.018 -0.235 0.000 1.426 230 C CB 1.059 28.519 27.740 -0.467 0.000 1.826 230 C HN 2.237 nan 8.230 nan 0.000 0.474 231 A N 1.129 123.837 122.820 -0.187 0.000 2.610 231 A HA 0.943 5.263 4.320 0.000 0.000 0.291 231 A C -0.849 176.674 177.584 -0.102 0.000 1.086 231 A CA 0.074 52.044 52.037 -0.112 0.000 0.677 231 A CB 1.336 20.292 19.000 -0.073 0.000 1.278 231 A HN 2.004 nan 8.150 nan 0.000 0.414 232 S N -1.175 114.487 115.700 -0.064 0.000 2.632 232 S HA 0.872 5.342 4.470 0.000 0.000 0.289 232 S C 0.092 174.676 174.600 -0.027 0.000 1.115 232 S CA 1.026 59.200 58.200 -0.044 0.000 0.889 232 S CB 1.436 64.615 63.200 -0.035 0.000 1.116 232 S HN 2.855 nan 8.310 nan 0.000 0.486 233 G N 2.895 111.684 108.800 -0.017 0.000 2.685 233 G HA2 -0.108 3.852 3.960 0.000 0.000 0.387 233 G HA3 -0.108 3.852 3.960 0.000 0.000 0.387 233 G C -2.395 172.500 174.900 -0.008 0.000 1.324 233 G CA -0.258 44.836 45.100 -0.011 0.000 0.878 233 G HN 0.574 nan 8.290 nan 0.000 0.527 234 P HA -0.053 nan 4.420 nan 0.000 0.216 234 P C 1.075 178.373 177.300 -0.002 0.000 1.150 234 P CA 1.923 65.022 63.100 -0.001 0.000 0.843 234 P CB -0.137 31.563 31.700 -0.000 0.000 0.787 235 N N -1.724 116.972 118.700 -0.006 0.000 2.275 235 N HA 0.087 4.827 4.740 0.000 0.000 0.236 235 N C 1.266 176.768 175.510 -0.014 0.000 1.154 235 N CA -0.367 52.678 53.050 -0.007 0.000 0.866 235 N CB -0.158 38.325 38.487 -0.006 0.000 1.093 235 N HN 0.155 nan 8.380 nan 0.000 0.515 236 R N 0.405 120.895 120.500 -0.017 0.000 2.117 236 R HA -0.088 4.252 4.340 0.000 0.000 0.243 236 R C 1.754 178.036 176.300 -0.030 0.000 1.143 236 R CA 1.629 57.711 56.100 -0.029 0.000 0.968 236 R CB -0.488 29.793 30.300 -0.032 0.000 0.863 236 R HN 0.155 nan 8.270 nan 0.000 0.444 237 A N 1.606 124.416 122.820 -0.018 0.000 1.877 237 A HA -0.165 4.155 4.320 0.000 0.000 0.216 237 A C 2.351 179.917 177.584 -0.030 0.000 1.186 237 A CA 1.558 53.584 52.037 -0.019 0.000 0.620 237 A CB -0.586 18.410 19.000 -0.007 0.000 0.822 237 A HN 0.452 nan 8.150 nan 0.000 0.443 238 R N -0.250 120.235 120.500 -0.025 0.000 2.073 238 R HA -0.106 4.234 4.340 0.000 0.000 0.229 238 R C 2.053 178.332 176.300 -0.037 0.000 1.120 238 R CA 1.520 57.603 56.100 -0.028 0.000 0.967 238 R CB -0.236 30.056 30.300 -0.014 0.000 0.862 238 R HN 0.689 nan 8.270 nan 0.000 0.436 239 E N -0.035 120.145 120.200 -0.033 0.000 2.077 239 E HA -0.175 4.175 4.350 0.000 0.000 0.193 239 E C 1.928 178.499 176.600 -0.049 0.000 0.989 239 E CA 1.156 57.534 56.400 -0.036 0.000 0.800 239 E CB -0.089 29.592 29.700 -0.032 0.000 0.746 239 E HN 0.437 nan 8.360 nan 0.000 0.452 240 A N 1.048 123.836 122.820 -0.054 0.000 1.898 240 A HA -0.138 4.182 4.320 0.000 0.000 0.216 240 A C 2.384 179.932 177.584 -0.060 0.000 1.181 240 A CA 1.716 53.716 52.037 -0.061 0.000 0.620 240 A CB -0.756 18.204 19.000 -0.067 0.000 0.819 240 A HN 0.158 nan 8.150 nan 0.000 0.442 241 T N 0.121 114.635 114.554 -0.067 0.000 2.701 241 T HA -0.134 4.216 4.350 0.000 0.000 0.263 241 T C 1.764 176.385 174.700 -0.131 0.000 1.040 241 T CA 1.640 63.684 62.100 -0.093 0.000 1.147 241 T CB -0.303 68.507 68.868 -0.098 0.000 0.865 241 T HN 0.635 nan 8.240 nan 0.000 0.426 242 E N 1.080 121.208 120.200 -0.120 0.000 2.110 242 E HA -0.069 4.281 4.350 0.000 0.000 0.193 242 E C 2.502 179.039 176.600 -0.105 0.000 0.988 242 E CA 0.921 57.240 56.400 -0.135 0.000 0.804 242 E CB -0.211 29.444 29.700 -0.076 0.000 0.745 242 E HN 0.478 nan 8.360 nan 0.000 0.458 243 A N 1.323 124.099 122.820 -0.073 0.000 1.969 243 A HA -0.070 4.250 4.320 0.000 0.000 0.218 243 A C 2.345 179.896 177.584 -0.054 0.000 1.169 243 A CA 1.516 53.521 52.037 -0.052 0.000 0.635 243 A CB -0.446 18.529 19.000 -0.041 0.000 0.810 243 A HN 0.291 nan 8.150 nan 0.000 0.445 244 A N 0.026 122.806 122.820 -0.066 0.000 1.898 244 A HA -0.016 4.304 4.320 0.000 0.000 0.216 244 A C 2.089 179.625 177.584 -0.080 0.000 1.181 244 A CA 1.371 53.373 52.037 -0.057 0.000 0.620 244 A CB -0.550 18.418 19.000 -0.053 0.000 0.819 244 A HN 0.477 nan 8.150 nan 0.000 0.442 245 I N 0.064 120.551 120.570 -0.138 0.000 2.226 245 I HA -0.257 3.913 4.170 0.000 0.000 0.245 245 I C 2.474 178.530 176.117 -0.101 0.000 1.100 245 I CA 1.760 62.952 61.300 -0.181 0.000 1.374 245 I CB -0.262 37.501 38.000 -0.396 0.000 1.057 245 I HN 0.472 nan 8.210 nan 0.000 0.413 246 R N 1.088 121.541 120.500 -0.078 0.000 2.320 246 R HA 0.064 4.404 4.340 0.000 0.000 0.211 246 R C 0.725 177.013 176.300 -0.021 0.000 0.931 246 R CA -0.161 55.919 56.100 -0.033 0.000 1.071 246 R CB -0.538 29.749 30.300 -0.021 0.000 1.025 246 R HN 0.230 nan 8.270 nan 0.000 0.495 247 N N 2.998 121.682 118.700 -0.026 0.000 2.412 247 N HA -0.020 4.720 4.740 0.000 0.000 0.258 247 N C -1.471 174.034 175.510 -0.008 0.000 1.236 247 N CA -1.192 51.850 53.050 -0.014 0.000 0.882 247 N CB 1.170 39.649 38.487 -0.013 0.000 1.066 247 N HN 0.029 nan 8.380 nan 0.000 0.465 248 P HA -0.124 nan 4.420 nan 0.000 0.223 248 P C 1.387 178.683 177.300 -0.007 0.000 1.144 248 P CA 0.946 64.044 63.100 -0.002 0.000 0.783 248 P CB 0.285 31.986 31.700 0.001 0.000 0.771 249 L N -1.459 119.759 121.223 -0.009 0.000 2.465 249 L HA 0.015 4.355 4.340 0.000 0.000 0.224 249 L C 2.146 179.011 176.870 -0.009 0.000 1.145 249 L CA 0.715 55.547 54.840 -0.013 0.000 0.834 249 L CB -0.313 41.740 42.059 -0.011 0.000 0.944 249 L HN -0.043 nan 8.230 nan 0.000 0.451 250 L N -1.462 119.758 121.223 -0.006 0.000 2.959 250 L HA 0.114 4.454 4.340 0.000 0.000 0.259 250 L C 1.648 178.521 176.870 0.005 0.000 1.185 250 L CA -0.062 54.777 54.840 -0.002 0.000 0.998 250 L CB 0.366 42.420 42.059 -0.008 0.000 1.337 250 L HN 0.179 nan 8.230 nan 0.000 0.555 251 E N 0.567 120.769 120.200 0.003 0.000 2.023 251 E HA -0.206 4.144 4.350 0.000 0.000 0.196 251 E C 0.345 176.954 176.600 0.014 0.000 1.003 251 E CA 1.322 57.727 56.400 0.010 0.000 0.809 251 E CB 0.092 29.796 29.700 0.006 0.000 0.755 251 E HN 0.444 nan 8.360 nan 0.000 0.449 252 D N 1.173 121.578 120.400 0.008 0.000 2.395 252 D HA 0.001 4.641 4.640 0.000 0.000 0.250 252 D C -0.067 176.240 176.300 0.012 0.000 1.203 252 D CA 0.263 54.268 54.000 0.008 0.000 0.872 252 D CB -0.017 40.784 40.800 0.001 0.000 0.941 252 D HN 0.009 nan 8.370 nan 0.000 0.504 253 V N -1.910 118.015 119.914 0.019 0.000 2.604 253 V HA 0.347 4.467 4.120 0.000 0.000 0.305 253 V C -0.217 175.900 176.094 0.038 0.000 1.043 253 V CA -1.235 61.079 62.300 0.024 0.000 0.888 253 V CB 2.244 34.080 31.823 0.022 0.000 0.995 253 V HN -0.058 nan 8.190 nan 0.000 0.429 254 N N 3.198 121.920 118.700 0.036 0.000 2.602 254 N HA 0.222 4.962 4.740 0.000 0.000 0.238 254 N C 0.651 176.196 175.510 0.058 0.000 1.084 254 N CA -0.728 52.349 53.050 0.045 0.000 0.952 254 N CB 0.937 39.441 38.487 0.028 0.000 1.244 254 N HN 0.739 nan 8.380 nan 0.000 0.512 255 L N 3.177 124.454 121.223 0.090 0.000 2.089 255 L HA -0.241 4.099 4.340 0.000 0.000 0.213 255 L C 2.551 179.476 176.870 0.092 0.000 1.079 255 L CA 1.727 56.629 54.840 0.103 0.000 0.758 255 L CB -0.673 41.489 42.059 0.173 0.000 0.891 255 L HN 0.675 nan 8.230 nan 0.000 0.433 256 Q N -1.044 118.805 119.800 0.082 0.000 2.437 256 Q HA -0.074 4.266 4.340 0.000 0.000 0.210 256 Q C 1.726 177.750 176.000 0.040 0.000 0.972 256 Q CA 1.046 56.881 55.803 0.054 0.000 0.903 256 Q CB -0.109 28.642 28.738 0.022 0.000 0.967 256 Q HN 0.498 nan 8.270 nan 0.000 0.486 257 G N -0.727 108.094 108.800 0.035 0.000 3.189 257 G HA2 0.411 4.371 3.960 0.000 0.000 0.225 257 G HA3 0.411 4.371 3.960 0.000 0.000 0.225 257 G C -0.154 174.760 174.900 0.024 0.000 1.159 257 G CA 0.229 45.343 45.100 0.022 0.000 0.763 257 G HN 0.333 nan 8.290 nan 0.000 0.549 258 A N 0.075 122.915 122.820 0.034 0.000 2.301 258 A HA 0.633 4.953 4.320 0.000 0.000 0.312 258 A C 1.201 178.805 177.584 0.034 0.000 1.182 258 A CA -0.648 51.408 52.037 0.031 0.000 0.826 258 A CB 0.856 19.876 19.000 0.034 0.000 1.134 258 A HN 0.266 nan 8.150 nan 0.000 0.501 259 R N 1.746 122.262 120.500 0.027 0.000 2.119 259 R HA 0.051 4.391 4.340 0.000 0.000 0.222 259 R C 0.926 177.243 176.300 0.029 0.000 1.088 259 R CA 1.003 57.121 56.100 0.030 0.000 0.984 259 R CB 0.234 30.546 30.300 0.020 0.000 0.884 259 R HN 0.733 nan 8.270 nan 0.000 0.447 260 G N 0.237 109.051 108.800 0.024 0.000 2.524 260 G HA2 0.588 4.548 3.960 0.000 0.000 0.310 260 G HA3 0.588 4.548 3.960 0.000 0.000 0.310 260 G C -1.029 173.887 174.900 0.027 0.000 1.279 260 G CA -0.437 44.677 45.100 0.022 0.000 0.974 260 G HN -0.066 nan 8.290 nan 0.000 0.484 261 I N 2.036 122.622 120.570 0.027 0.000 2.529 261 I HA 0.253 4.423 4.170 0.000 0.000 0.284 261 I C -1.261 174.873 176.117 0.029 0.000 1.088 261 I CA -0.571 60.746 61.300 0.028 0.000 1.062 261 I CB 1.551 39.569 38.000 0.030 0.000 1.218 261 I HN 0.341 nan 8.210 nan 0.000 0.442 262 L N 8.336 129.579 121.223 0.033 0.000 2.287 262 L HA 0.669 5.009 4.340 0.000 0.000 0.287 262 L C -0.848 176.045 176.870 0.039 0.000 1.022 262 L CA -0.331 54.535 54.840 0.042 0.000 0.814 262 L CB 1.680 43.772 42.059 0.055 0.000 1.217 262 L HN 0.276 nan 8.230 nan 0.000 0.420 263 V N 5.135 125.071 119.914 0.038 0.000 2.495 263 V HA 0.516 4.636 4.120 0.000 0.000 0.298 263 V C -0.388 175.736 176.094 0.049 0.000 1.031 263 V CA -0.773 61.545 62.300 0.030 0.000 0.871 263 V CB 1.670 33.497 31.823 0.006 0.000 0.988 263 V HN 0.818 nan 8.190 nan 0.000 0.432 264 N N 4.991 123.722 118.700 0.050 0.000 2.446 264 N HA 0.465 5.205 4.740 0.000 0.000 0.265 264 N C -1.174 174.377 175.510 0.069 0.000 0.975 264 N CA -0.363 52.725 53.050 0.063 0.000 0.928 264 N CB 1.413 39.935 38.487 0.058 0.000 1.160 264 N HN 0.647 nan 8.380 nan 0.000 0.495 265 I N 2.591 123.213 120.570 0.087 0.000 2.330 265 I HA 0.184 4.354 4.170 0.000 0.000 0.289 265 I C 0.001 176.180 176.117 0.103 0.000 1.001 265 I CA -0.343 61.016 61.300 0.098 0.000 1.193 265 I CB 1.589 39.666 38.000 0.127 0.000 1.345 265 I HN 0.281 nan 8.210 nan 0.000 0.461 266 T N 5.854 120.478 114.554 0.117 0.000 2.792 266 T HA 0.798 5.148 4.350 0.000 0.000 0.280 266 T C -0.298 174.490 174.700 0.146 0.000 0.990 266 T CA -0.492 61.671 62.100 0.104 0.000 0.960 266 T CB 1.659 70.559 68.868 0.053 0.000 0.939 266 T HN 0.738 nan 8.240 nan 0.000 0.439 267 A N 2.334 125.218 122.820 0.106 0.000 2.581 267 A HA 0.932 5.252 4.320 0.000 0.000 0.290 267 A C 0.049 177.674 177.584 0.068 0.000 1.119 267 A CA -0.630 51.467 52.037 0.101 0.000 0.670 267 A CB 0.819 19.869 19.000 0.082 0.000 1.280 267 A HN 0.945 nan 8.150 nan 0.000 0.425 268 G N -1.012 107.823 108.800 0.058 0.000 2.543 268 G HA2 0.525 4.485 3.960 0.000 0.000 0.290 268 G HA3 0.525 4.485 3.960 0.000 0.000 0.290 268 G C -2.016 172.902 174.900 0.030 0.000 1.310 268 G CA -1.296 43.828 45.100 0.039 0.000 1.025 268 G HN 0.377 nan 8.290 nan 0.000 0.502 269 P HA -0.019 nan 4.420 nan 0.000 0.229 269 P C 0.580 177.890 177.300 0.016 0.000 1.150 269 P CA 1.132 64.241 63.100 0.014 0.000 0.765 269 P CB 0.121 31.827 31.700 0.010 0.000 0.783 270 D N -1.770 118.642 120.400 0.020 0.000 2.328 270 D HA -0.015 4.625 4.640 0.000 0.000 0.226 270 D C 0.523 176.838 176.300 0.025 0.000 1.066 270 D CA -0.245 53.766 54.000 0.019 0.000 0.861 270 D CB -0.812 39.998 40.800 0.018 0.000 0.912 270 D HN 0.073 nan 8.370 nan 0.000 0.521 271 L N 1.957 123.198 121.223 0.031 0.000 2.534 271 L HA 0.193 4.533 4.340 0.000 0.000 0.271 271 L C 0.207 177.101 176.870 0.040 0.000 1.178 271 L CA -0.130 54.736 54.840 0.043 0.000 0.907 271 L CB 0.439 42.531 42.059 0.055 0.000 1.164 271 L HN 0.146 nan 8.230 nan 0.000 0.482 272 S N 5.416 121.144 115.700 0.047 0.000 2.654 272 S HA 0.273 4.743 4.470 0.000 0.000 0.283 272 S C 0.971 175.614 174.600 0.071 0.000 1.180 272 S CA -0.838 57.389 58.200 0.044 0.000 1.021 272 S CB 1.192 64.414 63.200 0.037 0.000 1.018 272 S HN 0.786 nan 8.310 nan 0.000 0.532 273 L N 1.961 123.220 121.223 0.059 0.000 2.042 273 L HA 0.015 4.355 4.340 0.000 0.000 0.210 273 L C 2.120 179.067 176.870 0.128 0.000 1.076 273 L CA 2.701 57.592 54.840 0.085 0.000 0.749 273 L CB -2.018 40.069 42.059 0.048 0.000 0.893 273 L HN 1.024 nan 8.230 nan 0.000 0.432 274 G N -0.563 108.286 108.800 0.082 0.000 2.422 274 G HA2 -0.261 3.699 3.960 0.000 0.000 0.218 274 G HA3 -0.261 3.699 3.960 0.000 0.000 0.218 274 G C 1.407 176.348 174.900 0.068 0.000 1.146 274 G CA 0.633 45.773 45.100 0.068 0.000 0.769 274 G HN 0.537 nan 8.290 nan 0.000 0.547 275 E N -0.711 119.533 120.200 0.073 0.000 2.110 275 E HA -0.157 4.193 4.350 0.000 0.000 0.193 275 E C 2.040 178.682 176.600 0.070 0.000 0.988 275 E CA 0.912 57.347 56.400 0.059 0.000 0.804 275 E CB -0.260 29.474 29.700 0.058 0.000 0.745 275 E HN 0.620 nan 8.360 nan 0.000 0.458 276 Y N 1.750 122.056 120.300 0.010 0.000 2.145 276 Y HA -0.264 4.286 4.550 0.000 0.000 0.286 276 Y C 2.648 178.556 175.900 0.013 0.000 1.145 276 Y CA 1.903 60.011 58.100 0.012 0.000 1.148 276 Y CB -0.179 38.289 38.460 0.013 0.000 0.981 276 Y HN 0.040 nan 8.280 nan 0.000 0.507 277 S N -0.753 114.961 115.700 0.022 0.000 2.423 277 S HA -0.169 4.301 4.470 0.000 0.000 0.231 277 S C 1.627 176.173 174.600 -0.089 0.000 1.014 277 S CA 1.280 59.447 58.200 -0.054 0.000 0.965 277 S CB -0.472 62.763 63.200 0.058 0.000 0.785 277 S HN 0.491 nan 8.310 nan 0.000 0.495 278 D N 1.665 122.033 120.400 -0.053 0.000 2.117 278 D HA -0.033 4.607 4.640 0.000 0.000 0.197 278 D C 2.129 178.384 176.300 -0.075 0.000 0.987 278 D CA 1.129 55.103 54.000 -0.043 0.000 0.829 278 D CB -0.472 40.316 40.800 -0.019 0.000 0.961 278 D HN 0.347 nan 8.370 nan 0.000 0.460 279 V N 0.868 120.710 119.914 -0.120 0.000 2.358 279 V HA -0.140 3.980 4.120 0.000 0.000 0.246 279 V C 2.553 178.552 176.094 -0.158 0.000 1.047 279 V CA 1.960 64.180 62.300 -0.133 0.000 1.035 279 V CB -1.004 30.731 31.823 -0.147 0.000 0.658 279 V HN 0.224 nan 8.190 nan 0.000 0.452 280 G N 0.070 108.718 108.800 -0.252 0.000 2.440 280 G HA2 -0.295 3.665 3.960 0.000 0.000 0.218 280 G HA3 -0.295 3.665 3.960 0.000 0.000 0.218 280 G C 1.381 176.227 174.900 -0.091 0.000 1.154 280 G CA 1.231 46.206 45.100 -0.208 0.000 0.767 280 G HN 0.628 nan 8.290 nan 0.000 0.552 281 N N 0.167 118.826 118.700 -0.068 0.000 2.120 281 N HA -0.049 4.691 4.740 0.000 0.000 0.188 281 N C 2.186 177.711 175.510 0.025 0.000 1.024 281 N CA 0.844 53.886 53.050 -0.014 0.000 0.852 281 N CB -0.161 38.322 38.487 -0.008 0.000 1.003 281 N HN 0.289 nan 8.380 nan 0.000 0.424 282 I N 1.069 121.649 120.570 0.017 0.000 2.286 282 I HA -0.233 3.937 4.170 0.000 0.000 0.248 282 I C 1.896 178.079 176.117 0.111 0.000 1.115 282 I CA 0.736 62.076 61.300 0.068 0.000 1.392 282 I CB -0.154 37.839 38.000 -0.010 0.000 1.065 282 I HN 0.189 nan 8.210 nan 0.000 0.418 283 I N 0.707 121.293 120.570 0.026 0.000 2.202 283 I HA -0.233 3.937 4.170 0.000 0.000 0.242 283 I C 2.414 178.596 176.117 0.108 0.000 1.091 283 I CA 1.644 62.967 61.300 0.039 0.000 1.368 283 I CB -1.216 36.774 38.000 -0.017 0.000 1.058 283 I HN 0.329 nan 8.210 nan 0.000 0.410 284 E N 0.316 120.556 120.200 0.068 0.000 2.209 284 E HA -0.282 4.068 4.350 0.000 0.000 0.196 284 E C 2.070 178.718 176.600 0.081 0.000 0.993 284 E CA 0.902 57.337 56.400 0.059 0.000 0.819 284 E CB -0.179 29.536 29.700 0.026 0.000 0.745 284 E HN 0.544 nan 8.360 nan 0.000 0.477 285 Q N -0.369 119.509 119.800 0.130 0.000 2.297 285 Q HA -0.116 4.224 4.340 0.000 0.000 0.204 285 Q C 1.136 177.140 176.000 0.007 0.000 0.962 285 Q CA 0.947 56.797 55.803 0.078 0.000 0.879 285 Q CB 0.181 28.986 28.738 0.110 0.000 0.947 285 Q HN 0.223 nan 8.270 nan 0.000 0.462 286 F N -0.248 119.698 119.950 -0.006 0.000 2.678 286 F HA 0.369 4.896 4.527 -0.000 0.000 0.291 286 F C 0.913 176.715 175.800 0.003 0.000 1.123 286 F CA 0.001 58.000 58.000 -0.002 0.000 1.395 286 F CB 0.093 39.091 39.000 -0.003 0.000 1.121 286 F HN -0.030 nan 8.300 nan 0.000 0.592 287 A N 0.336 123.259 122.820 0.171 0.000 2.371 287 A HA 0.456 4.776 4.320 0.000 0.000 0.257 287 A C 0.584 178.207 177.584 0.065 0.000 1.089 287 A CA -0.107 51.991 52.037 0.102 0.000 0.794 287 A CB 0.038 19.084 19.000 0.077 0.000 1.029 287 A HN 0.202 nan 8.150 nan 0.000 0.488 288 S N 0.313 116.051 115.700 0.063 0.000 2.592 288 S HA 0.139 4.609 4.470 0.000 0.000 0.271 288 S C 0.940 175.577 174.600 0.063 0.000 1.326 288 S CA 0.370 58.610 58.200 0.067 0.000 1.024 288 S CB 0.674 63.924 63.200 0.084 0.000 0.921 288 S HN 0.820 nan 8.310 nan 0.000 0.527 289 E N 1.220 121.456 120.200 0.059 0.000 2.338 289 E HA -0.182 4.168 4.350 0.000 0.000 0.197 289 E C 0.595 177.143 176.600 -0.088 0.000 1.007 289 E CA 1.237 57.626 56.400 -0.018 0.000 0.849 289 E CB -0.491 29.177 29.700 -0.053 0.000 0.774 289 E HN 0.906 nan 8.360 nan 0.000 0.506 290 H N 0.519 119.591 119.070 0.003 0.000 2.524 290 H HA 0.412 4.968 4.556 0.000 0.000 0.280 290 H C -0.035 175.296 175.328 0.004 0.000 1.018 290 H CA 0.323 56.373 56.048 0.002 0.000 1.165 290 H CB 0.655 30.417 29.762 0.000 0.000 1.411 290 H HN 0.285 nan 8.280 nan 0.000 0.569 291 A N 0.142 123.013 122.820 0.084 0.000 2.312 291 A HA 0.471 4.791 4.320 0.000 0.000 0.328 291 A C 0.086 177.689 177.584 0.031 0.000 1.158 291 A CA -0.671 51.401 52.037 0.058 0.000 0.821 291 A CB 0.542 19.575 19.000 0.055 0.000 1.170 291 A HN 0.234 nan 8.150 nan 0.000 0.490 292 T N 1.820 116.390 114.554 0.027 0.000 2.729 292 T HA 0.452 4.802 4.350 0.000 0.000 0.296 292 T C -0.296 174.416 174.700 0.020 0.000 0.928 292 T CA -0.044 62.065 62.100 0.016 0.000 1.045 292 T CB 0.326 69.200 68.868 0.010 0.000 0.902 292 T HN 0.393 nan 8.240 nan 0.000 0.500 293 V N 4.569 124.494 119.914 0.019 0.000 2.448 293 V HA 0.566 4.686 4.120 0.000 0.000 0.295 293 V C -0.200 175.910 176.094 0.025 0.000 1.025 293 V CA -0.854 61.460 62.300 0.022 0.000 0.859 293 V CB 1.736 33.571 31.823 0.020 0.000 0.988 293 V HN 0.588 nan 8.190 nan 0.000 0.431 294 K N 3.348 123.766 120.400 0.031 0.000 2.507 294 K HA 0.653 4.973 4.320 0.000 0.000 0.252 294 K C -1.185 175.445 176.600 0.050 0.000 0.943 294 K CA -0.375 55.937 56.287 0.043 0.000 0.808 294 K CB 2.075 34.601 32.500 0.043 0.000 1.142 294 K HN 0.402 nan 8.250 nan 0.000 0.426 295 V N 3.003 122.957 119.914 0.066 0.000 2.304 295 V HA 0.541 4.661 4.120 0.000 0.000 0.278 295 V C 0.405 176.585 176.094 0.143 0.000 1.018 295 V CA -0.951 61.394 62.300 0.075 0.000 0.814 295 V CB 1.324 33.157 31.823 0.016 0.000 1.021 295 V HN 0.786 nan 8.190 nan 0.000 0.440 296 G N 2.824 111.696 108.800 0.119 0.000 2.400 296 G HA2 0.588 4.548 3.960 0.000 0.000 0.301 296 G HA3 0.588 4.548 3.960 0.000 0.000 0.301 296 G C -0.338 174.645 174.900 0.139 0.000 1.154 296 G CA -0.235 44.939 45.100 0.123 0.000 0.852 296 G HN 0.511 nan 8.290 nan 0.000 0.511 297 T N 0.367 114.996 114.554 0.125 0.000 2.829 297 T HA 0.520 4.870 4.350 0.000 0.000 0.280 297 T C -0.535 174.203 174.700 0.063 0.000 0.999 297 T CA -0.301 61.868 62.100 0.115 0.000 0.983 297 T CB 1.836 70.770 68.868 0.110 0.000 0.968 297 T HN 0.312 nan 8.240 nan 0.000 0.446 298 V N 4.604 124.554 119.914 0.060 0.000 2.483 298 V HA 0.453 4.573 4.120 0.000 0.000 0.297 298 V C -0.629 175.486 176.094 0.035 0.000 1.027 298 V CA -0.913 61.409 62.300 0.038 0.000 0.855 298 V CB 1.656 33.498 31.823 0.031 0.000 0.995 298 V HN 0.739 nan 8.190 nan 0.000 0.424 299 I N 3.821 124.404 120.570 0.022 0.000 2.312 299 I HA 0.322 4.492 4.170 0.000 0.000 0.290 299 I C -0.008 176.118 176.117 0.016 0.000 1.008 299 I CA -0.160 61.152 61.300 0.021 0.000 1.226 299 I CB 1.415 39.421 38.000 0.011 0.000 1.371 299 I HN 0.604 nan 8.210 nan 0.000 0.468 300 D N 5.978 126.391 120.400 0.021 0.000 2.411 300 D HA 0.312 4.952 4.640 0.000 0.000 0.225 300 D C 1.107 177.416 176.300 0.015 0.000 1.156 300 D CA -0.232 53.776 54.000 0.013 0.000 0.874 300 D CB 1.566 42.374 40.800 0.013 0.000 1.034 300 D HN 0.633 nan 8.370 nan 0.000 0.502 301 A N 3.902 126.728 122.820 0.009 0.000 2.042 301 A HA -0.229 4.091 4.320 0.000 0.000 0.222 301 A C 1.364 178.954 177.584 0.010 0.000 1.167 301 A CA 1.681 53.722 52.037 0.008 0.000 0.649 301 A CB -0.119 18.883 19.000 0.004 0.000 0.809 301 A HN 0.613 nan 8.150 nan 0.000 0.457 302 D N -1.944 118.462 120.400 0.010 0.000 2.363 302 D HA 0.257 4.897 4.640 0.000 0.000 0.214 302 D C 0.424 176.735 176.300 0.018 0.000 1.093 302 D CA -0.114 53.892 54.000 0.011 0.000 0.837 302 D CB 0.192 40.997 40.800 0.008 0.000 0.948 302 D HN 0.496 nan 8.370 nan 0.000 0.507 303 M N 1.262 120.877 119.600 0.025 0.000 2.314 303 M HA 0.353 4.833 4.480 0.000 0.000 0.342 303 M C -0.849 175.473 176.300 0.037 0.000 1.171 303 M CA -0.176 55.147 55.300 0.039 0.000 1.098 303 M CB 0.728 33.361 32.600 0.055 0.000 1.559 303 M HN -0.258 nan 8.290 nan 0.000 0.459 304 R N 2.744 123.267 120.500 0.038 0.000 2.668 304 R HA 0.308 4.648 4.340 0.000 0.000 0.272 304 R C -0.484 175.832 176.300 0.026 0.000 1.019 304 R CA -0.482 55.635 56.100 0.029 0.000 0.894 304 R CB 1.332 31.645 30.300 0.021 0.000 1.228 304 R HN 0.976 nan 8.270 nan 0.000 0.460 305 D N -0.343 120.068 120.400 0.018 0.000 2.845 305 D HA -0.235 4.405 4.640 0.000 0.000 0.167 305 D C 0.095 176.392 176.300 -0.005 0.000 1.672 305 D CA 2.296 56.300 54.000 0.007 0.000 1.924 305 D CB -0.301 40.502 40.800 0.005 0.000 1.372 305 D HN 0.788 nan 8.370 nan 0.000 0.423 306 E N 1.328 121.528 120.200 0.000 0.000 2.319 306 E HA 0.567 4.917 4.350 0.000 0.000 0.268 306 E C -0.070 176.506 176.600 -0.040 0.000 1.050 306 E CA -0.618 55.753 56.400 -0.048 0.000 0.878 306 E CB 2.149 31.824 29.700 -0.041 0.000 1.066 306 E HN 0.349 nan 8.360 nan 0.000 0.406 307 L N 2.192 123.332 121.223 -0.138 0.000 2.470 307 L HA 0.369 4.709 4.340 0.000 0.000 0.268 307 L C -1.287 175.473 176.870 -0.183 0.000 0.964 307 L CA -0.557 54.246 54.840 -0.062 0.000 0.839 307 L CB 1.673 43.717 42.059 -0.025 0.000 1.276 307 L HN 0.670 nan 8.230 nan 0.000 0.403 308 H N 4.040 123.118 119.070 0.014 0.000 2.472 308 H HA 0.590 5.146 4.556 -0.000 0.000 0.338 308 H C -1.080 174.253 175.328 0.008 0.000 1.133 308 H CA -0.718 55.335 56.048 0.010 0.000 1.216 308 H CB 2.591 32.361 29.762 0.013 0.000 1.497 308 H HN 0.311 nan 8.280 nan 0.000 0.500 309 V N 2.909 122.885 119.914 0.103 0.000 2.525 309 V HA 0.187 4.307 4.120 0.000 0.000 0.299 309 V C -0.080 176.043 176.094 0.048 0.000 1.034 309 V CA -0.590 61.742 62.300 0.053 0.000 0.863 309 V CB 1.951 33.775 31.823 0.001 0.000 0.999 309 V HN 0.800 nan 8.190 nan 0.000 0.423 310 T N 4.239 118.820 114.554 0.046 0.000 2.792 310 T HA 0.545 4.895 4.350 0.000 0.000 0.280 310 T C -0.726 173.988 174.700 0.023 0.000 0.990 310 T CA -0.352 61.770 62.100 0.036 0.000 0.960 310 T CB 1.722 70.615 68.868 0.043 0.000 0.939 310 T HN 0.503 nan 8.240 nan 0.000 0.439 311 V N 4.946 124.867 119.914 0.011 0.000 2.448 311 V HA 0.715 4.835 4.120 0.000 0.000 0.295 311 V C -1.018 175.086 176.094 0.016 0.000 1.025 311 V CA -0.458 61.845 62.300 0.005 0.000 0.859 311 V CB 1.403 33.212 31.823 -0.023 0.000 0.988 311 V HN 0.689 nan 8.190 nan 0.000 0.431 312 V N 7.046 126.977 119.914 0.028 0.000 2.378 312 V HA 0.743 4.863 4.120 0.000 0.000 0.288 312 V C 0.432 176.544 176.094 0.030 0.000 1.016 312 V CA -0.162 62.160 62.300 0.036 0.000 0.840 312 V CB 1.492 33.349 31.823 0.055 0.000 0.994 312 V HN 1.103 nan 8.190 nan 0.000 0.431 313 A N 4.018 126.853 122.820 0.026 0.000 2.249 313 A HA 0.761 5.081 4.320 0.000 0.000 0.314 313 A C 0.405 178.003 177.584 0.024 0.000 1.290 313 A CA -0.277 51.775 52.037 0.025 0.000 0.893 313 A CB 0.568 19.583 19.000 0.025 0.000 1.165 313 A HN 0.885 nan 8.150 nan 0.000 0.530 314 T N -0.746 113.821 114.554 0.023 0.000 2.952 314 T HA 0.635 4.985 4.350 0.000 0.000 0.286 314 T C 0.794 175.502 174.700 0.014 0.000 1.024 314 T CA 0.050 62.160 62.100 0.017 0.000 1.029 314 T CB 1.328 70.204 68.868 0.014 0.000 1.094 314 T HN 2.293 nan 8.240 nan 0.000 0.515 315 G N 1.134 109.939 108.800 0.008 0.000 2.350 315 G HA2 -0.177 3.783 3.960 0.000 0.000 0.298 315 G HA3 -0.177 3.783 3.960 0.000 0.000 0.298 315 G C -0.075 174.830 174.900 0.008 0.000 1.037 315 G CA 0.123 45.227 45.100 0.006 0.000 1.074 315 G HN 0.892 nan 8.290 nan 0.000 0.511 316 L N -0.184 121.044 121.223 0.008 0.000 2.452 316 L HA 0.575 4.915 4.340 0.000 0.000 0.267 316 L C 1.300 178.173 176.870 0.005 0.000 1.188 316 L CA 0.903 55.749 54.840 0.009 0.000 0.821 316 L CB 0.876 42.940 42.059 0.009 0.000 1.102 316 L HN 1.189 nan 8.230 nan 0.000 0.470 317 G N 0.000 108.803 108.800 0.005 0.000 5.446 317 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 317 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 317 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 317 G HN 0.000 nan 8.290 nan 0.000 0.925