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 2cog_1_B DATA FIRST_RESID 24 DATA SEQUENCE TFKAKDLIVT PATILKEKPD PNNLVFGTVF TDHMLTVEWS SEFGWEKPHI DATA SEQUENCE KPLQNLSLHP GSSALHYAVE LFEGLKAFRG VDNKIRLFQP NLNMDRMYRS DATA SEQUENCE AVRATLPVFD KEELLECIQQ LVKLDQEWVP YSTSASLYIR PTFIGTEPSL DATA SEQUENCE GVKKPTKALL FVLLSPVGPY FXXXXFNPVS LWANPKYVRA WKGGTGDCKM DATA SEQUENCE GGNYGSSLFA QCEAVDNGCQ QVLWLYGEDH QITEVGTMNL FLYWINEDGE DATA SEQUENCE EELATPPLDG IILPGVTRRC ILDLAHQWGE FKVSERYLTM DDLTTALEGN DATA SEQUENCE RVREMFGSGT ACVVCPVSDI LYKGETIHIP TMENGPKLAS RILSKLTDIQ DATA SEQUENCE YGREERDWTI VL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 24 T HA 0.000 nan 4.350 nan 0.000 0.228 24 T C 0.000 174.636 174.700 -0.107 0.000 1.109 24 T CA 0.000 62.078 62.100 -0.037 0.000 1.349 24 T CB 0.000 68.715 68.868 -0.255 0.000 0.612 25 F N 2.257 122.097 119.950 -0.183 0.000 2.440 25 F HA 0.810 5.325 4.527 -0.019 0.000 0.323 25 F C 0.365 176.116 175.800 -0.081 0.000 1.192 25 F CA -0.490 57.464 58.000 -0.077 0.000 1.252 25 F CB 0.487 39.394 39.000 -0.154 0.000 1.214 25 F HN 0.209 nan 8.300 nan 0.000 0.578 26 K N 0.990 121.490 120.400 0.166 0.000 2.397 26 K HA 0.490 4.798 4.320 -0.019 0.000 0.253 26 K C 0.465 177.131 176.600 0.110 0.000 0.932 26 K CA -0.338 55.989 56.287 0.066 0.000 0.795 26 K CB 1.903 34.423 32.500 0.034 0.000 1.159 26 K HN 0.796 nan 8.250 nan 0.000 0.424 27 A N 3.083 125.949 122.820 0.078 0.000 1.948 27 A HA -0.256 4.052 4.320 -0.019 0.000 0.220 27 A C 2.199 179.796 177.584 0.021 0.000 1.177 27 A CA 2.669 54.739 52.037 0.054 0.000 0.636 27 A CB -0.591 18.426 19.000 0.028 0.000 0.815 27 A HN 0.787 nan 8.150 nan 0.000 0.449 28 K N -0.195 120.214 120.400 0.015 0.000 2.218 28 K HA -0.189 4.119 4.320 -0.019 0.000 0.205 28 K C 1.260 177.860 176.600 0.000 0.000 1.046 28 K CA 1.887 58.176 56.287 0.004 0.000 0.933 28 K CB -0.808 31.695 32.500 0.005 0.000 0.728 28 K HN 0.625 nan 8.250 nan 0.000 0.454 29 D N -0.219 120.188 120.400 0.011 0.000 2.328 29 D HA 0.141 4.770 4.640 -0.019 0.000 0.221 29 D C 0.066 176.335 176.300 -0.050 0.000 1.072 29 D CA -0.215 53.781 54.000 -0.005 0.000 0.850 29 D CB -0.189 40.627 40.800 0.026 0.000 0.922 29 D HN 0.386 nan 8.370 nan 0.000 0.516 30 L N 1.215 122.407 121.223 -0.052 0.000 2.559 30 L HA -0.000 4.328 4.340 -0.019 0.000 0.282 30 L C 0.439 177.220 176.870 -0.148 0.000 1.232 30 L CA 0.563 55.344 54.840 -0.100 0.000 0.885 30 L CB 0.480 42.498 42.059 -0.068 0.000 1.131 30 L HN -0.173 nan 8.230 nan 0.000 0.498 31 I N 4.212 124.626 120.570 -0.260 0.000 2.382 31 I HA 0.238 4.396 4.170 -0.019 0.000 0.286 31 I C -0.485 175.529 176.117 -0.171 0.000 1.002 31 I CA -0.584 60.556 61.300 -0.267 0.000 1.135 31 I CB 1.764 39.461 38.000 -0.505 0.000 1.288 31 I HN 0.175 nan 8.210 nan 0.000 0.448 32 V N 5.233 125.091 119.914 -0.093 0.000 2.350 32 V HA 0.284 4.393 4.120 -0.019 0.000 0.276 32 V C 0.246 176.322 176.094 -0.031 0.000 1.028 32 V CA -0.303 61.957 62.300 -0.067 0.000 0.860 32 V CB 1.273 33.046 31.823 -0.083 0.000 0.990 32 V HN 0.705 nan 8.190 nan 0.000 0.453 33 T N 7.636 122.190 114.554 -0.000 0.000 3.254 33 T HA 0.298 4.636 4.350 -0.019 0.000 0.385 33 T C -2.344 172.383 174.700 0.046 0.000 1.528 33 T CA -0.998 61.123 62.100 0.035 0.000 1.212 33 T CB 0.764 69.677 68.868 0.074 0.000 1.145 33 T HN 0.507 nan 8.240 nan 0.000 0.631 34 P HA 0.258 nan 4.420 nan 0.000 0.269 34 P C -0.148 177.288 177.300 0.228 0.000 1.209 34 P CA -0.353 62.804 63.100 0.094 0.000 0.776 34 P CB 0.662 32.384 31.700 0.038 0.000 0.876 35 A N 2.966 126.045 122.820 0.431 0.000 2.425 35 A HA 0.220 4.529 4.320 -0.019 0.000 0.242 35 A C 1.567 179.221 177.584 0.117 0.000 1.077 35 A CA 0.180 52.325 52.037 0.180 0.000 0.781 35 A CB -0.591 18.428 19.000 0.031 0.000 1.020 35 A HN 0.588 nan 8.150 nan 0.000 0.494 36 T N 1.237 115.832 114.554 0.069 0.000 2.851 36 T HA 0.137 4.475 4.350 -0.019 0.000 0.262 36 T C 0.580 175.309 174.700 0.048 0.000 1.043 36 T CA 1.117 63.248 62.100 0.052 0.000 1.140 36 T CB -0.221 68.668 68.868 0.035 0.000 0.872 36 T HN 0.490 nan 8.240 nan 0.000 0.446 37 I N 1.636 122.231 120.570 0.042 0.000 2.465 37 I HA 0.374 4.533 4.170 -0.019 0.000 0.291 37 I C -0.892 175.255 176.117 0.050 0.000 1.014 37 I CA -0.825 60.499 61.300 0.040 0.000 1.093 37 I CB 2.246 40.263 38.000 0.029 0.000 1.267 37 I HN -0.007 nan 8.210 nan 0.000 0.431 38 L N 6.115 127.378 121.223 0.066 0.000 2.307 38 L HA 0.450 4.778 4.340 -0.019 0.000 0.282 38 L C 0.143 177.075 176.870 0.103 0.000 1.051 38 L CA -0.806 54.094 54.840 0.100 0.000 0.804 38 L CB 1.183 43.308 42.059 0.110 0.000 1.197 38 L HN 0.525 nan 8.230 nan 0.000 0.431 39 K N 2.125 122.636 120.400 0.185 0.000 2.168 39 K HA 0.156 4.465 4.320 -0.019 0.000 0.258 39 K C -0.032 176.613 176.600 0.074 0.000 1.010 39 K CA -0.613 55.782 56.287 0.181 0.000 0.929 39 K CB 0.716 33.410 32.500 0.323 0.000 0.998 39 K HN 0.497 nan 8.250 nan 0.000 0.479 40 E N 2.306 122.507 120.200 0.002 0.000 2.277 40 E HA 0.135 4.473 4.350 -0.019 0.000 0.274 40 E C -0.924 175.526 176.600 -0.249 0.000 1.022 40 E CA -0.637 55.685 56.400 -0.129 0.000 0.853 40 E CB 1.005 30.660 29.700 -0.074 0.000 1.086 40 E HN 0.153 nan 8.360 nan 0.000 0.397 41 K N 3.176 123.311 120.400 -0.442 0.000 2.355 41 K HA 0.229 4.537 4.320 -0.019 0.000 0.270 41 K C -1.796 174.701 176.600 -0.172 0.000 1.003 41 K CA -1.125 54.862 56.287 -0.499 0.000 0.957 41 K CB -0.081 32.129 32.500 -0.484 0.000 0.939 41 K HN 0.515 nan 8.250 nan 0.000 0.482 42 P HA 0.097 nan 4.420 nan 0.000 0.277 42 P C -0.844 176.457 177.300 0.001 0.000 1.271 42 P CA -0.475 62.630 63.100 0.009 0.000 0.795 42 P CB 0.580 32.320 31.700 0.066 0.000 1.101 43 D N 0.828 121.234 120.400 0.010 0.000 2.343 43 D HA 0.073 4.701 4.640 -0.019 0.000 0.255 43 D C -1.372 174.945 176.300 0.028 0.000 1.187 43 D CA -2.242 51.765 54.000 0.012 0.000 0.875 43 D CB 0.437 41.242 40.800 0.009 0.000 1.136 43 D HN 0.139 nan 8.370 nan 0.000 0.469 44 P HA -0.047 nan 4.420 nan 0.000 0.239 44 P C 0.231 177.558 177.300 0.046 0.000 1.184 44 P CA 0.441 63.573 63.100 0.053 0.000 0.760 44 P CB 0.452 32.194 31.700 0.070 0.000 0.884 45 N N 0.516 119.236 118.700 0.034 0.000 2.368 45 N HA 0.001 4.730 4.740 -0.019 0.000 0.178 45 N C 0.204 175.732 175.510 0.030 0.000 1.076 45 N CA 0.431 53.498 53.050 0.029 0.000 0.889 45 N CB 0.095 38.594 38.487 0.020 0.000 1.040 45 N HN 0.325 nan 8.380 nan 0.000 0.463 46 N N 0.571 119.287 118.700 0.027 0.000 2.735 46 N HA 0.216 4.944 4.740 -0.019 0.000 0.312 46 N C -1.101 174.424 175.510 0.024 0.000 1.843 46 N CA -0.107 52.958 53.050 0.025 0.000 0.945 46 N CB -0.169 38.328 38.487 0.018 0.000 1.299 46 N HN -0.040 nan 8.380 nan 0.000 0.489 47 L N 0.415 121.657 121.223 0.031 0.000 2.282 47 L HA 0.515 4.844 4.340 -0.019 0.000 0.288 47 L C -0.373 176.510 176.870 0.022 0.000 1.033 47 L CA -1.259 53.594 54.840 0.022 0.000 0.807 47 L CB 1.703 43.780 42.059 0.030 0.000 1.209 47 L HN 0.041 nan 8.230 nan 0.000 0.423 48 V N 4.250 124.161 119.914 -0.006 0.000 2.348 48 V HA 0.134 4.242 4.120 -0.019 0.000 0.270 48 V C 0.149 176.225 176.094 -0.030 0.000 1.037 48 V CA -0.621 61.674 62.300 -0.007 0.000 0.872 48 V CB 0.817 32.627 31.823 -0.023 0.000 1.002 48 V HN 0.460 nan 8.190 nan 0.000 0.464 49 F N 4.900 124.766 119.950 -0.141 0.000 2.480 49 F HA 0.202 4.703 4.527 -0.043 0.000 0.409 49 F C 1.461 177.145 175.800 -0.194 0.000 0.979 49 F CA 1.546 59.444 58.000 -0.170 0.000 1.184 49 F CB 0.243 39.127 39.000 -0.194 0.000 0.925 49 F HN 0.893 nan 8.300 nan 0.000 0.543 50 G N 3.972 112.104 108.800 -1.114 0.000 2.321 50 G HA2 -0.356 3.593 3.960 -0.019 0.000 0.287 50 G HA3 -0.356 3.593 3.960 -0.019 0.000 0.287 50 G C 0.720 175.285 174.900 -0.558 0.000 1.018 50 G CA 0.921 45.479 45.100 -0.903 0.000 0.855 50 G HN 1.346 nan 8.290 nan 0.000 0.507 51 T N -4.542 109.731 114.554 -0.469 0.000 2.969 51 T HA 0.498 4.836 4.350 -0.019 0.000 0.250 51 T C 0.677 175.179 174.700 -0.329 0.000 1.021 51 T CA 0.576 62.514 62.100 -0.270 0.000 1.003 51 T CB 0.886 69.685 68.868 -0.116 0.000 1.040 51 T HN 0.537 nan 8.240 nan 0.000 0.492 52 V N 2.170 121.795 119.914 -0.482 0.000 2.435 52 V HA 0.623 4.732 4.120 -0.019 0.000 0.290 52 V C -1.059 174.649 176.094 -0.643 0.000 1.030 52 V CA -1.008 61.099 62.300 -0.321 0.000 0.881 52 V CB 1.088 32.854 31.823 -0.096 0.000 0.983 52 V HN 0.353 nan 8.190 nan 0.000 0.445 53 F N 1.633 121.488 119.950 -0.159 0.000 2.546 53 F HA 0.583 5.133 4.527 0.037 0.000 0.320 53 F C 0.956 176.385 175.800 -0.618 0.000 1.076 53 F CA -0.646 57.176 58.000 -0.297 0.000 0.928 53 F CB 2.017 40.885 39.000 -0.220 0.000 1.189 53 F HN 0.617 nan 8.300 nan 0.000 0.465 54 T N -2.611 111.505 114.554 -0.730 0.000 2.689 54 T HA 0.068 4.406 4.350 -0.019 0.000 0.308 54 T C 0.727 174.915 174.700 -0.852 0.000 1.021 54 T CA -0.409 60.733 62.100 -1.597 0.000 0.973 54 T CB 0.527 68.567 68.868 -1.381 0.000 1.113 54 T HN 0.530 nan 8.240 nan 0.000 0.522 55 D N -0.083 119.875 120.400 -0.736 0.000 2.224 55 D HA 0.007 4.635 4.640 -0.019 0.000 0.205 55 D C 0.732 176.624 176.300 -0.680 0.000 0.965 55 D CA 1.183 54.886 54.000 -0.494 0.000 0.852 55 D CB -0.030 40.538 40.800 -0.386 0.000 0.947 55 D HN 0.573 nan 8.370 nan 0.000 0.494 56 H N -0.900 118.090 119.070 -0.134 0.000 2.855 56 H HA 0.577 5.122 4.556 -0.017 0.000 0.363 56 H C 0.255 175.528 175.328 -0.090 0.000 1.185 56 H CA -0.673 55.326 56.048 -0.081 0.000 1.174 56 H CB 2.152 31.892 29.762 -0.038 0.000 1.857 56 H HN -0.099 nan 8.280 nan 0.000 0.565 57 M N 0.506 120.156 119.600 0.084 0.000 2.622 57 M HA 0.424 4.892 4.480 -0.019 0.000 0.276 57 M C -1.931 174.392 176.300 0.037 0.000 1.265 57 M CA -1.073 54.246 55.300 0.031 0.000 0.850 57 M CB 3.125 35.715 32.600 -0.017 0.000 1.720 57 M HN 0.278 nan 8.290 nan 0.000 0.465 58 L N 2.740 123.980 121.223 0.029 0.000 2.317 58 L HA 0.832 5.161 4.340 -0.019 0.000 0.281 58 L C -1.244 175.642 176.870 0.026 0.000 1.024 58 L CA 0.300 55.140 54.840 0.001 0.000 0.810 58 L CB 1.770 43.798 42.059 -0.052 0.000 1.240 58 L HN 1.070 nan 8.230 nan 0.000 0.427 59 T N 1.734 116.293 114.554 0.010 0.000 2.952 59 T HA 0.719 5.057 4.350 -0.019 0.000 0.305 59 T C -0.884 173.812 174.700 -0.008 0.000 1.064 59 T CA -0.657 61.460 62.100 0.029 0.000 1.008 59 T CB 1.698 70.571 68.868 0.008 0.000 1.078 59 T HN 0.332 nan 8.240 nan 0.000 0.459 60 V N 2.286 122.199 119.914 -0.002 0.000 2.567 60 V HA 0.461 4.569 4.120 -0.019 0.000 0.298 60 V C -0.492 175.787 176.094 0.309 0.000 1.047 60 V CA -0.873 61.442 62.300 0.025 0.000 0.880 60 V CB 1.673 33.222 31.823 -0.456 0.000 1.009 60 V HN 0.926 nan 8.190 nan 0.000 0.429 61 E N 2.609 122.988 120.200 0.298 0.000 2.283 61 E HA 0.310 4.649 4.350 -0.019 0.000 0.278 61 E C -1.234 175.564 176.600 0.329 0.000 1.027 61 E CA -0.294 56.270 56.400 0.273 0.000 0.843 61 E CB 2.591 32.378 29.700 0.145 0.000 1.062 61 E HN 0.703 nan 8.360 nan 0.000 0.401 62 W N 1.892 123.158 121.300 -0.056 0.000 2.736 62 W HA 0.331 4.979 4.660 -0.020 0.000 0.335 62 W C -0.879 175.542 176.519 -0.164 0.000 1.059 62 W CA -0.481 56.658 57.345 -0.343 0.000 1.226 62 W CB 1.355 30.207 29.460 -1.014 0.000 1.416 62 W HN 0.379 nan 8.180 nan 0.000 0.505 63 S N 2.693 117.651 115.700 -1.236 0.000 2.548 63 S HA 0.285 4.743 4.470 -0.019 0.000 0.276 63 S C 0.247 173.767 174.600 -1.800 0.000 1.129 63 S CA -0.209 57.329 58.200 -1.103 0.000 0.931 63 S CB 1.599 64.572 63.200 -0.378 0.000 1.068 63 S HN 0.605 nan 8.310 nan 0.000 0.480 64 S N 1.334 116.141 115.700 -1.488 0.000 2.370 64 S HA -0.196 4.262 4.470 -0.019 0.000 0.226 64 S C 1.867 176.135 174.600 -0.553 0.000 1.033 64 S CA 1.939 59.594 58.200 -0.909 0.000 1.011 64 S CB -0.596 62.410 63.200 -0.323 0.000 0.852 64 S HN 0.859 nan 8.310 nan 0.000 0.457 65 E N -0.207 119.652 120.200 -0.570 0.000 2.107 65 E HA -0.090 4.249 4.350 -0.019 0.000 0.191 65 E C 1.375 177.534 176.600 -0.735 0.000 0.982 65 E CA 1.076 57.084 56.400 -0.655 0.000 0.809 65 E CB -0.623 28.564 29.700 -0.856 0.000 0.756 65 E HN 0.748 nan 8.360 nan 0.000 0.459 66 F N 0.609 120.396 119.950 -0.271 0.000 2.727 66 F HA 0.394 4.909 4.527 -0.020 0.000 0.302 66 F C 1.531 177.235 175.800 -0.159 0.000 1.107 66 F CA 0.250 58.147 58.000 -0.171 0.000 1.277 66 F CB 1.030 39.953 39.000 -0.130 0.000 1.079 66 F HN 0.273 nan 8.300 nan 0.000 0.594 67 G N 0.263 108.919 108.800 -0.240 0.000 2.568 67 G HA2 -0.278 3.671 3.960 -0.019 0.000 0.222 67 G HA3 -0.278 3.671 3.960 -0.019 0.000 0.222 67 G C -0.980 173.875 174.900 -0.075 0.000 1.321 67 G CA -0.922 44.100 45.100 -0.129 0.000 0.893 67 G HN 0.131 nan 8.290 nan 0.000 0.569 68 W N 1.660 123.203 121.300 0.405 0.000 2.238 68 W HA 0.578 5.226 4.660 -0.020 0.000 0.321 68 W C 0.946 177.627 176.519 0.270 0.000 1.293 68 W CA -0.303 57.316 57.345 0.456 0.000 1.204 68 W CB 0.674 30.498 29.460 0.607 0.000 1.167 68 W HN 0.494 nan 8.180 nan 0.000 0.553 69 E N 1.825 122.317 120.200 0.486 0.000 2.359 69 E HA 0.229 4.567 4.350 -0.019 0.000 0.255 69 E C -0.287 176.501 176.600 0.313 0.000 1.191 69 E CA -0.679 55.900 56.400 0.298 0.000 0.952 69 E CB 0.499 30.326 29.700 0.211 0.000 1.152 69 E HN 0.292 nan 8.360 nan 0.000 0.496 70 K N 1.908 122.438 120.400 0.216 0.000 2.295 70 K HA 0.196 4.505 4.320 -0.019 0.000 0.270 70 K C -2.061 174.617 176.600 0.130 0.000 1.011 70 K CA -1.317 55.056 56.287 0.144 0.000 0.953 70 K CB 0.153 32.679 32.500 0.043 0.000 0.956 70 K HN 0.261 nan 8.250 nan 0.000 0.477 71 P HA 0.087 nan 4.420 nan 0.000 0.279 71 P C -1.069 176.188 177.300 -0.070 0.000 1.239 71 P CA 0.077 63.135 63.100 -0.070 0.000 0.789 71 P CB 0.883 32.460 31.700 -0.205 0.000 0.933 72 H N 1.778 120.799 119.070 -0.080 0.000 2.622 72 H HA 0.483 5.027 4.556 -0.020 0.000 0.363 72 H C -0.333 174.961 175.328 -0.056 0.000 1.151 72 H CA -0.809 55.208 56.048 -0.052 0.000 1.184 72 H CB 2.192 31.935 29.762 -0.032 0.000 1.643 72 H HN 0.309 nan 8.280 nan 0.000 0.531 73 I N 4.184 124.787 120.570 0.054 0.000 2.420 73 I HA 0.168 4.326 4.170 -0.019 0.000 0.282 73 I C -0.372 175.765 176.117 0.034 0.000 1.019 73 I CA -0.378 60.928 61.300 0.010 0.000 1.130 73 I CB 0.771 38.733 38.000 -0.063 0.000 1.262 73 I HN 0.470 nan 8.210 nan 0.000 0.454 74 K N 7.141 127.594 120.400 0.089 0.000 2.409 74 K HA 0.716 5.024 4.320 -0.019 0.000 0.252 74 K C -3.033 173.687 176.600 0.199 0.000 1.036 74 K CA -2.036 54.327 56.287 0.126 0.000 0.871 74 K CB 1.676 34.223 32.500 0.079 0.000 1.374 74 K HN 0.005 nan 8.250 nan 0.000 0.459 75 P HA -0.046 nan 4.420 nan 0.000 0.268 75 P C -0.246 177.029 177.300 -0.041 0.000 1.205 75 P CA -0.417 62.716 63.100 0.054 0.000 0.771 75 P CB 0.410 32.121 31.700 0.019 0.000 0.858 76 L N 1.964 123.119 121.223 -0.114 0.000 2.700 76 L HA 0.214 4.542 4.340 -0.019 0.000 0.272 76 L C 0.352 177.141 176.870 -0.136 0.000 1.176 76 L CA 1.475 56.230 54.840 -0.142 0.000 0.961 76 L CB -1.108 40.846 42.059 -0.175 0.000 1.249 76 L HN 0.625 nan 8.230 nan 0.000 0.487 77 Q N 3.525 123.234 119.800 -0.151 0.000 2.615 77 Q HA 0.574 4.902 4.340 -0.019 0.000 0.298 77 Q C -0.575 175.314 176.000 -0.185 0.000 1.023 77 Q CA -0.783 54.935 55.803 -0.142 0.000 0.768 77 Q CB 0.594 29.268 28.738 -0.107 0.000 1.500 77 Q HN 0.669 nan 8.270 nan 0.000 0.441 78 N N 0.301 118.905 118.700 -0.160 0.000 2.482 78 N HA 0.475 5.204 4.740 -0.019 0.000 0.260 78 N C -0.450 174.950 175.510 -0.183 0.000 1.236 78 N CA -0.306 52.639 53.050 -0.175 0.000 0.938 78 N CB 0.588 38.998 38.487 -0.129 0.000 1.128 78 N HN 0.636 nan 8.380 nan 0.000 0.448 79 L N 0.457 121.553 121.223 -0.212 0.000 2.305 79 L HA 0.273 4.602 4.340 -0.019 0.000 0.281 79 L C 0.633 177.432 176.870 -0.119 0.000 1.085 79 L CA -0.455 54.264 54.840 -0.201 0.000 0.813 79 L CB 1.157 43.053 42.059 -0.271 0.000 1.157 79 L HN 0.400 nan 8.230 nan 0.000 0.436 80 S N 5.157 120.805 115.700 -0.088 0.000 2.434 80 S HA 0.614 5.073 4.470 -0.019 0.000 0.318 80 S C -0.565 174.023 174.600 -0.021 0.000 1.062 80 S CA -0.609 57.559 58.200 -0.053 0.000 1.116 80 S CB -0.189 62.982 63.200 -0.049 0.000 0.977 80 S HN 0.424 nan 8.310 nan 0.000 0.480 81 L N 4.608 125.828 121.223 -0.004 0.000 2.362 81 L HA 0.500 4.829 4.340 -0.019 0.000 0.271 81 L C 0.482 177.395 176.870 0.072 0.000 1.002 81 L CA -1.224 53.644 54.840 0.047 0.000 0.818 81 L CB 1.327 43.419 42.059 0.055 0.000 1.298 81 L HN 0.622 nan 8.230 nan 0.000 0.420 82 H N 5.026 124.108 119.070 0.020 0.000 2.928 82 H HA 0.048 4.592 4.556 -0.020 0.000 0.338 82 H C -1.791 173.560 175.328 0.039 0.000 1.047 82 H CA -1.136 54.925 56.048 0.022 0.000 1.435 82 H CB 1.535 31.310 29.762 0.022 0.000 1.428 82 H HN 0.386 nan 8.280 nan 0.000 0.590 83 P HA -0.087 nan 4.420 nan 0.000 0.226 83 P C 1.006 178.507 177.300 0.334 0.000 1.146 83 P CA 1.392 64.526 63.100 0.056 0.000 0.773 83 P CB -0.061 31.593 31.700 -0.076 0.000 0.772 84 G N -0.648 108.551 108.800 0.665 0.000 3.088 84 G HA2 0.006 3.954 3.960 -0.019 0.000 0.217 84 G HA3 0.006 3.954 3.960 -0.019 0.000 0.217 84 G C 0.337 175.299 174.900 0.103 0.000 1.159 84 G CA -0.071 45.197 45.100 0.279 0.000 0.760 84 G HN 0.153 nan 8.290 nan 0.000 0.550 85 S N 1.316 117.150 115.700 0.223 0.000 2.784 85 S HA 0.033 4.492 4.470 -0.019 0.000 0.322 85 S C 1.872 176.571 174.600 0.164 0.000 1.234 85 S CA 0.474 58.763 58.200 0.148 0.000 1.064 85 S CB 0.925 64.219 63.200 0.156 0.000 0.787 85 S HN 0.578 nan 8.310 nan 0.000 0.506 86 S N 3.101 118.868 115.700 0.112 0.000 2.465 86 S HA -0.177 4.282 4.470 -0.019 0.000 0.241 86 S C 1.798 176.480 174.600 0.136 0.000 1.000 86 S CA 0.634 58.920 58.200 0.142 0.000 0.964 86 S CB -0.378 62.946 63.200 0.207 0.000 0.763 86 S HN 0.836 nan 8.310 nan 0.000 0.512 87 A N 1.525 124.421 122.820 0.126 0.000 2.066 87 A HA 0.268 4.577 4.320 -0.019 0.000 0.218 87 A C 2.135 179.764 177.584 0.076 0.000 1.157 87 A CA 0.919 53.023 52.037 0.112 0.000 0.670 87 A CB -0.533 18.545 19.000 0.129 0.000 0.804 87 A HN 0.580 nan 8.150 nan 0.000 0.453 88 L N -2.178 119.081 121.223 0.060 0.000 2.416 88 L HA 0.068 4.396 4.340 -0.019 0.000 0.216 88 L C 2.274 179.003 176.870 -0.234 0.000 1.098 88 L CA 0.517 55.322 54.840 -0.058 0.000 0.840 88 L CB -0.423 41.595 42.059 -0.068 0.000 0.981 88 L HN 0.449 nan 8.230 nan 0.000 0.462 89 H N -1.401 117.522 119.070 -0.244 0.000 2.422 89 H HA 0.097 4.641 4.556 -0.019 0.000 0.303 89 H C 0.695 175.684 175.328 -0.565 0.000 1.033 89 H CA 0.949 56.676 56.048 -0.536 0.000 1.335 89 H CB 0.535 29.703 29.762 -0.991 0.000 1.458 89 H HN 0.281 nan 8.280 nan 0.000 0.556 90 Y N -0.051 120.357 120.300 0.179 0.000 2.696 90 Y HA 0.459 4.998 4.550 -0.019 0.000 0.260 90 Y C 1.002 176.955 175.900 0.089 0.000 1.165 90 Y CA 0.060 58.227 58.100 0.112 0.000 1.189 90 Y CB 0.814 39.327 38.460 0.088 0.000 1.180 90 Y HN 0.139 nan 8.280 nan 0.000 0.538 91 A N 0.090 123.006 122.820 0.160 0.000 2.704 91 A HA -0.214 4.095 4.320 -0.019 0.000 0.299 91 A C 0.097 177.760 177.584 0.132 0.000 1.507 91 A CA 0.727 52.847 52.037 0.139 0.000 0.776 91 A CB -2.288 16.797 19.000 0.142 0.000 1.027 91 A HN 0.221 nan 8.150 nan 0.000 0.475 92 V N 1.277 121.270 119.914 0.131 0.000 2.242 92 V HA 0.415 4.524 4.120 -0.019 0.000 0.242 92 V C 0.517 176.643 176.094 0.054 0.000 1.240 92 V CA 1.157 63.504 62.300 0.079 0.000 1.211 92 V CB -0.829 31.043 31.823 0.082 0.000 1.338 92 V HN 0.852 nan 8.190 nan 0.000 0.499 93 E N 4.452 124.690 120.200 0.063 0.000 2.401 93 E HA 0.732 5.071 4.350 -0.019 0.000 0.280 93 E C -1.582 175.091 176.600 0.122 0.000 1.039 93 E CA -1.187 55.267 56.400 0.090 0.000 0.814 93 E CB 2.353 32.137 29.700 0.138 0.000 1.275 93 E HN 0.252 nan 8.360 nan 0.000 0.448 94 L N -1.060 120.256 121.223 0.155 0.000 2.540 94 L HA 0.874 5.202 4.340 -0.019 0.000 0.256 94 L C -1.251 175.754 176.870 0.226 0.000 1.001 94 L CA -0.844 54.092 54.840 0.160 0.000 0.843 94 L CB 1.466 43.567 42.059 0.069 0.000 1.436 94 L HN 0.723 nan 8.230 nan 0.000 0.410 95 F N -1.827 118.129 119.950 0.010 0.000 2.664 95 F HA 0.979 5.496 4.527 -0.016 0.000 0.317 95 F C -0.647 175.139 175.800 -0.023 0.000 1.108 95 F CA -0.540 57.438 58.000 -0.037 0.000 0.957 95 F CB 1.613 40.574 39.000 -0.065 0.000 1.365 95 F HN 0.605 nan 8.300 nan 0.000 0.475 96 E N -0.207 120.027 120.200 0.057 0.000 2.423 96 E HA 0.706 5.045 4.350 -0.019 0.000 0.269 96 E C -1.332 175.309 176.600 0.069 0.000 0.948 96 E CA -1.075 55.302 56.400 -0.039 0.000 0.802 96 E CB 2.141 31.811 29.700 -0.050 0.000 1.339 96 E HN 1.062 nan 8.360 nan 0.000 0.445 97 G N 1.316 110.120 108.800 0.006 0.000 2.668 97 G HA2 0.539 4.488 3.960 -0.019 0.000 0.284 97 G HA3 0.539 4.488 3.960 -0.019 0.000 0.284 97 G C -1.274 173.590 174.900 -0.059 0.000 1.456 97 G CA -0.482 44.571 45.100 -0.079 0.000 1.214 97 G HN 0.195 nan 8.290 nan 0.000 0.568 98 L N -1.336 119.763 121.223 -0.207 0.000 2.479 98 L HA 0.810 5.139 4.340 -0.019 0.000 0.255 98 L C -1.035 175.787 176.870 -0.081 0.000 1.026 98 L CA -1.463 53.359 54.840 -0.030 0.000 0.842 98 L CB 1.254 43.317 42.059 0.006 0.000 1.444 98 L HN 0.486 nan 8.230 nan 0.000 0.409 99 K N 0.535 120.944 120.400 0.014 0.000 2.350 99 K HA 0.931 5.240 4.320 -0.019 0.000 0.241 99 K C -0.932 175.535 176.600 -0.222 0.000 0.994 99 K CA -0.685 55.494 56.287 -0.180 0.000 0.839 99 K CB 2.518 34.752 32.500 -0.442 0.000 1.244 99 K HN 0.924 nan 8.250 nan 0.000 0.443 100 A N 1.607 124.202 122.820 -0.375 0.000 2.342 100 A HA 0.758 5.067 4.320 -0.019 0.000 0.323 100 A C -1.393 175.931 177.584 -0.432 0.000 1.125 100 A CA -0.565 51.350 52.037 -0.204 0.000 0.785 100 A CB 0.217 19.164 19.000 -0.089 0.000 1.221 100 A HN 0.517 nan 8.150 nan 0.000 0.463 101 F N 0.692 120.591 119.950 -0.085 0.000 2.529 101 F HA 0.548 5.068 4.527 -0.011 0.000 0.320 101 F C 0.543 176.301 175.800 -0.070 0.000 1.118 101 F CA -0.547 57.343 58.000 -0.184 0.000 0.915 101 F CB 2.037 40.699 39.000 -0.563 0.000 1.161 101 F HN 0.640 nan 8.300 nan 0.000 0.445 102 R N 1.917 122.531 120.500 0.189 0.000 2.210 102 R HA 0.505 4.834 4.340 -0.019 0.000 0.338 102 R C 0.332 176.791 176.300 0.266 0.000 1.062 102 R CA -0.260 55.916 56.100 0.127 0.000 0.902 102 R CB 0.294 30.575 30.300 -0.033 0.000 1.050 102 R HN 0.912 nan 8.270 nan 0.000 0.461 103 G N 1.403 110.321 108.800 0.196 0.000 2.634 103 G HA2 0.089 4.037 3.960 -0.019 0.000 0.255 103 G HA3 0.089 4.037 3.960 -0.019 0.000 0.255 103 G C 1.088 176.091 174.900 0.172 0.000 1.205 103 G CA -0.223 45.007 45.100 0.216 0.000 0.884 103 G HN 0.593 nan 8.290 nan 0.000 0.549 104 V N -1.532 118.472 119.914 0.150 0.000 3.186 104 V HA -0.041 4.068 4.120 -0.019 0.000 0.270 104 V C 1.366 177.507 176.094 0.078 0.000 1.149 104 V CA 1.978 64.334 62.300 0.093 0.000 1.160 104 V CB -0.614 31.248 31.823 0.066 0.000 0.758 104 V HN 0.642 nan 8.190 nan 0.000 0.516 105 D N -0.924 119.525 120.400 0.081 0.000 2.395 105 D HA 0.093 4.721 4.640 -0.019 0.000 0.213 105 D C 1.047 177.391 176.300 0.073 0.000 1.110 105 D CA 0.216 54.256 54.000 0.067 0.000 0.835 105 D CB -0.638 40.196 40.800 0.057 0.000 0.965 105 D HN 0.503 nan 8.370 nan 0.000 0.505 106 N N -0.013 118.739 118.700 0.087 0.000 2.828 106 N HA -0.209 4.520 4.740 -0.019 0.000 0.248 106 N C -0.987 174.562 175.510 0.066 0.000 1.044 106 N CA 0.828 53.928 53.050 0.085 0.000 0.851 106 N CB -1.052 37.498 38.487 0.105 0.000 1.136 106 N HN 0.315 nan 8.380 nan 0.000 0.572 107 K N 0.612 121.054 120.400 0.069 0.000 2.205 107 K HA 0.343 4.652 4.320 -0.019 0.000 0.279 107 K C 0.169 176.809 176.600 0.067 0.000 1.027 107 K CA -0.444 55.880 56.287 0.061 0.000 0.932 107 K CB 0.941 33.477 32.500 0.059 0.000 1.032 107 K HN 0.198 nan 8.250 nan 0.000 0.466 108 I N 4.105 124.708 120.570 0.055 0.000 2.371 108 I HA 0.174 4.333 4.170 -0.019 0.000 0.290 108 I C 0.293 176.458 176.117 0.080 0.000 1.028 108 I CA -0.155 61.181 61.300 0.061 0.000 1.345 108 I CB 0.657 38.680 38.000 0.038 0.000 1.407 108 I HN 0.388 nan 8.210 nan 0.000 0.501 109 R N 6.312 126.883 120.500 0.119 0.000 2.750 109 R HA 0.689 5.017 4.340 -0.019 0.000 0.281 109 R C -1.243 175.181 176.300 0.206 0.000 0.972 109 R CA -0.978 55.208 56.100 0.142 0.000 0.912 109 R CB 2.388 32.772 30.300 0.139 0.000 1.187 109 R HN 0.494 nan 8.270 nan 0.000 0.464 110 L N 2.319 123.644 121.223 0.171 0.000 2.322 110 L HA 0.466 4.795 4.340 -0.019 0.000 0.279 110 L C -0.783 176.238 176.870 0.252 0.000 1.036 110 L CA -0.742 54.213 54.840 0.192 0.000 0.807 110 L CB 1.168 43.284 42.059 0.095 0.000 1.226 110 L HN 0.481 nan 8.230 nan 0.000 0.433 111 F N 3.571 123.616 119.950 0.158 0.000 2.385 111 F HA 0.234 4.752 4.527 -0.016 0.000 0.360 111 F C 0.558 176.382 175.800 0.039 0.000 1.122 111 F CA -0.361 57.706 58.000 0.113 0.000 1.090 111 F CB 0.506 39.606 39.000 0.167 0.000 1.150 111 F HN 0.522 nan 8.300 nan 0.000 0.472 112 Q N 5.297 124.808 119.800 -0.481 0.000 2.434 112 Q HA -0.202 4.126 4.340 -0.019 0.000 0.299 112 Q C -1.711 174.193 176.000 -0.161 0.000 1.286 112 Q CA 0.764 56.317 55.803 -0.417 0.000 0.872 112 Q CB -1.217 27.125 28.738 -0.661 0.000 1.193 112 Q HN 0.584 nan 8.270 nan 0.000 0.466 113 P HA -0.184 nan 4.420 nan 0.000 0.218 113 P C 0.712 177.989 177.300 -0.038 0.000 1.148 113 P CA 1.343 64.427 63.100 -0.027 0.000 0.822 113 P CB -0.001 31.697 31.700 -0.004 0.000 0.784 114 N N -0.402 118.265 118.700 -0.056 0.000 2.309 114 N HA -0.026 4.703 4.740 -0.019 0.000 0.182 114 N C 1.906 177.382 175.510 -0.057 0.000 1.018 114 N CA 0.563 53.583 53.050 -0.051 0.000 0.876 114 N CB -0.527 37.925 38.487 -0.059 0.000 0.972 114 N HN 0.136 nan 8.380 nan 0.000 0.434 115 L N 0.475 121.650 121.223 -0.081 0.000 2.156 115 L HA -0.080 4.248 4.340 -0.019 0.000 0.208 115 L C 1.756 178.601 176.870 -0.042 0.000 1.095 115 L CA 0.807 55.599 54.840 -0.079 0.000 0.770 115 L CB -0.349 41.637 42.059 -0.122 0.000 0.914 115 L HN 0.323 nan 8.230 nan 0.000 0.439 116 N N -0.137 118.545 118.700 -0.030 0.000 2.142 116 N HA -0.141 4.587 4.740 -0.019 0.000 0.186 116 N C 1.870 177.398 175.510 0.030 0.000 1.023 116 N CA 1.236 54.282 53.050 -0.006 0.000 0.852 116 N CB -0.043 38.438 38.487 -0.009 0.000 0.998 116 N HN 0.267 nan 8.380 nan 0.000 0.424 117 M N 1.300 120.924 119.600 0.041 0.000 2.117 117 M HA -0.105 4.363 4.480 -0.019 0.000 0.262 117 M C 1.267 177.644 176.300 0.128 0.000 1.065 117 M CA 1.271 56.642 55.300 0.118 0.000 1.114 117 M CB -1.055 31.598 32.600 0.089 0.000 1.361 117 M HN 0.036 nan 8.290 nan 0.000 0.408 118 D N -0.334 120.085 120.400 0.032 0.000 2.117 118 D HA -0.149 4.480 4.640 -0.019 0.000 0.197 118 D C 2.145 178.479 176.300 0.058 0.000 0.987 118 D CA 1.089 55.090 54.000 0.002 0.000 0.829 118 D CB -0.330 40.441 40.800 -0.049 0.000 0.961 118 D HN 0.356 nan 8.370 nan 0.000 0.460 119 R N 0.070 120.593 120.500 0.039 0.000 2.092 119 R HA 0.007 4.335 4.340 -0.019 0.000 0.231 119 R C 2.321 178.663 176.300 0.070 0.000 1.119 119 R CA 0.683 56.800 56.100 0.029 0.000 0.970 119 R CB -0.169 30.125 30.300 -0.010 0.000 0.864 119 R HN 0.110 nan 8.270 nan 0.000 0.440 120 M N -0.588 119.088 119.600 0.126 0.000 2.159 120 M HA -0.212 4.256 4.480 -0.019 0.000 0.263 120 M C 1.704 178.195 176.300 0.318 0.000 1.063 120 M CA 1.622 57.050 55.300 0.212 0.000 1.110 120 M CB -0.151 32.607 32.600 0.264 0.000 1.374 120 M HN 0.236 nan 8.290 nan 0.000 0.411 121 Y N 0.727 121.099 120.300 0.120 0.000 2.163 121 Y HA -0.182 4.355 4.550 -0.020 0.000 0.288 121 Y C 2.246 178.103 175.900 -0.072 0.000 1.136 121 Y CA 1.857 59.892 58.100 -0.107 0.000 1.147 121 Y CB -0.101 38.194 38.460 -0.275 0.000 0.987 121 Y HN 0.155 nan 8.280 nan 0.000 0.509 122 R N -0.614 119.987 120.500 0.169 0.000 2.081 122 R HA -0.142 4.187 4.340 -0.019 0.000 0.235 122 R C 2.362 178.654 176.300 -0.013 0.000 1.131 122 R CA 1.616 57.757 56.100 0.069 0.000 0.960 122 R CB -0.526 29.806 30.300 0.052 0.000 0.856 122 R HN 0.228 nan 8.270 nan 0.000 0.436 123 S N 0.846 116.549 115.700 0.005 0.000 2.402 123 S HA -0.100 4.358 4.470 -0.019 0.000 0.229 123 S C 2.086 176.664 174.600 -0.037 0.000 1.021 123 S CA 1.075 59.264 58.200 -0.018 0.000 0.974 123 S CB -0.105 63.089 63.200 -0.011 0.000 0.800 123 S HN 0.471 nan 8.310 nan 0.000 0.484 124 A N 1.248 124.059 122.820 -0.016 0.000 1.902 124 A HA -0.048 4.260 4.320 -0.019 0.000 0.217 124 A C 2.323 179.792 177.584 -0.191 0.000 1.181 124 A CA 1.484 53.477 52.037 -0.074 0.000 0.623 124 A CB -0.877 18.171 19.000 0.080 0.000 0.818 124 A HN 0.347 nan 8.150 nan 0.000 0.443 125 V N -0.133 119.651 119.914 -0.217 0.000 2.295 125 V HA -0.235 3.874 4.120 -0.019 0.000 0.246 125 V C 2.634 178.651 176.094 -0.128 0.000 1.049 125 V CA 2.340 64.524 62.300 -0.193 0.000 1.024 125 V CB -0.783 30.941 31.823 -0.165 0.000 0.648 125 V HN 0.628 nan 8.190 nan 0.000 0.447 126 R N 0.660 121.101 120.500 -0.098 0.000 2.152 126 R HA -0.047 4.281 4.340 -0.019 0.000 0.232 126 R C 1.888 178.140 176.300 -0.079 0.000 1.117 126 R CA 1.492 57.546 56.100 -0.076 0.000 0.981 126 R CB -0.465 29.796 30.300 -0.065 0.000 0.870 126 R HN 0.497 nan 8.270 nan 0.000 0.451 127 A N -0.761 121.998 122.820 -0.101 0.000 2.238 127 A HA 0.096 4.405 4.320 -0.019 0.000 0.210 127 A C 0.707 178.211 177.584 -0.135 0.000 1.179 127 A CA 0.840 52.815 52.037 -0.104 0.000 0.827 127 A CB -0.282 18.646 19.000 -0.119 0.000 0.856 127 A HN 0.545 nan 8.150 nan 0.000 0.488 128 T N -3.099 111.363 114.554 -0.153 0.000 4.458 128 T HA -0.179 4.159 4.350 -0.019 0.000 0.317 128 T C -0.057 174.495 174.700 -0.246 0.000 0.916 128 T CA 1.071 63.072 62.100 -0.165 0.000 2.068 128 T CB -2.863 65.938 68.868 -0.111 0.000 1.908 128 T HN 0.357 nan 8.240 nan 0.000 0.934 129 L N 1.553 122.570 121.223 -0.343 0.000 2.421 129 L HA 0.565 4.893 4.340 -0.019 0.000 0.263 129 L C -1.389 175.182 176.870 -0.498 0.000 1.122 129 L CA -2.636 51.870 54.840 -0.557 0.000 0.804 129 L CB 0.676 42.175 42.059 -0.934 0.000 1.150 129 L HN 0.097 nan 8.230 nan 0.000 0.457 130 P HA 0.033 nan 4.420 nan 0.000 0.268 130 P C -0.595 176.735 177.300 0.049 0.000 1.204 130 P CA -0.190 62.571 63.100 -0.566 0.000 0.768 130 P CB 0.753 31.457 31.700 -1.659 0.000 0.842 131 V N 1.632 121.522 119.914 -0.039 0.000 3.051 131 V HA 0.556 4.664 4.120 -0.019 0.000 0.306 131 V C 0.075 176.321 176.094 0.253 0.000 1.083 131 V CA -0.153 62.059 62.300 -0.146 0.000 1.104 131 V CB -0.422 31.257 31.823 -0.240 0.000 1.027 131 V HN 0.546 nan 8.190 nan 0.000 0.483 132 F N -0.620 119.434 119.950 0.173 0.000 2.626 132 F HA 0.633 5.149 4.527 -0.018 0.000 0.311 132 F C -0.611 175.148 175.800 -0.069 0.000 1.088 132 F CA -1.461 56.483 58.000 -0.093 0.000 0.949 132 F CB 1.280 40.088 39.000 -0.320 0.000 1.322 132 F HN 0.535 nan 8.300 nan 0.000 0.461 133 D N 2.140 122.448 120.400 -0.153 0.000 2.338 133 D HA 0.121 4.749 4.640 -0.019 0.000 0.255 133 D C 0.758 177.047 176.300 -0.019 0.000 1.237 133 D CA 0.227 54.143 54.000 -0.140 0.000 0.883 133 D CB 1.218 41.886 40.800 -0.220 0.000 1.087 133 D HN 0.708 nan 8.370 nan 0.000 0.485 134 K N 2.613 123.005 120.400 -0.013 0.000 2.089 134 K HA -0.215 4.093 4.320 -0.019 0.000 0.210 134 K C 1.567 178.185 176.600 0.030 0.000 1.048 134 K CA 1.499 57.833 56.287 0.078 0.000 0.926 134 K CB 0.213 32.669 32.500 -0.074 0.000 0.714 134 K HN 0.567 nan 8.250 nan 0.000 0.448 135 E N 0.320 120.496 120.200 -0.040 0.000 2.106 135 E HA -0.152 4.187 4.350 -0.019 0.000 0.192 135 E C 1.939 178.517 176.600 -0.036 0.000 0.984 135 E CA 0.661 57.037 56.400 -0.039 0.000 0.806 135 E CB 0.064 29.731 29.700 -0.054 0.000 0.750 135 E HN 0.268 nan 8.360 nan 0.000 0.458 136 E N 1.154 121.308 120.200 -0.077 0.000 2.077 136 E HA -0.146 4.193 4.350 -0.019 0.000 0.193 136 E C 2.213 178.827 176.600 0.023 0.000 0.989 136 E CA 0.506 56.857 56.400 -0.082 0.000 0.800 136 E CB -0.259 29.280 29.700 -0.268 0.000 0.746 136 E HN 0.281 nan 8.360 nan 0.000 0.452 137 L N 0.547 121.784 121.223 0.024 0.000 2.027 137 L HA -0.169 4.160 4.340 -0.019 0.000 0.206 137 L C 2.482 179.360 176.870 0.013 0.000 1.074 137 L CA 0.865 55.751 54.840 0.076 0.000 0.745 137 L CB -0.222 41.812 42.059 -0.041 0.000 0.898 137 L HN 0.163 nan 8.230 nan 0.000 0.433 138 L N 0.485 121.713 121.223 0.008 0.000 2.012 138 L HA -0.254 4.074 4.340 -0.019 0.000 0.210 138 L C 2.414 179.281 176.870 -0.006 0.000 1.073 138 L CA 2.110 56.947 54.840 -0.005 0.000 0.748 138 L CB -0.712 41.345 42.059 -0.004 0.000 0.891 138 L HN 0.284 nan 8.230 nan 0.000 0.431 139 E N -0.892 119.308 120.200 -0.000 0.000 2.110 139 E HA -0.199 4.139 4.350 -0.019 0.000 0.193 139 E C 2.189 178.789 176.600 0.000 0.000 0.988 139 E CA 1.820 58.220 56.400 -0.000 0.000 0.804 139 E CB -0.729 28.971 29.700 -0.001 0.000 0.745 139 E HN 0.613 nan 8.360 nan 0.000 0.458 140 C N -0.077 119.228 119.300 0.010 0.000 2.440 140 C HA 0.037 4.485 4.460 -0.019 0.000 0.278 140 C C 2.621 177.592 174.990 -0.031 0.000 1.295 140 C CA 0.439 59.452 59.018 -0.008 0.000 1.738 140 C CB -0.930 26.807 27.740 -0.006 0.000 1.987 140 C HN 0.469 nan 8.230 nan 0.000 0.492 141 I N 0.395 120.945 120.570 -0.034 0.000 2.252 141 I HA -0.228 3.930 4.170 -0.019 0.000 0.245 141 I C 2.690 178.792 176.117 -0.024 0.000 1.102 141 I CA 1.400 62.675 61.300 -0.041 0.000 1.385 141 I CB -0.615 37.355 38.000 -0.051 0.000 1.064 141 I HN 0.453 nan 8.210 nan 0.000 0.414 142 Q N 0.255 120.047 119.800 -0.014 0.000 2.135 142 Q HA -0.247 4.082 4.340 -0.019 0.000 0.204 142 Q C 2.184 178.183 176.000 -0.002 0.000 0.981 142 Q CA 1.196 56.997 55.803 -0.003 0.000 0.856 142 Q CB -0.186 28.553 28.738 0.001 0.000 0.902 142 Q HN 0.512 nan 8.270 nan 0.000 0.425 143 Q N 0.305 120.100 119.800 -0.009 0.000 2.230 143 Q HA -0.089 4.239 4.340 -0.019 0.000 0.202 143 Q C 2.073 178.064 176.000 -0.016 0.000 0.963 143 Q CA 0.672 56.467 55.803 -0.013 0.000 0.866 143 Q CB -0.091 28.634 28.738 -0.021 0.000 0.931 143 Q HN 0.279 nan 8.270 nan 0.000 0.452 144 L N -0.329 120.884 121.223 -0.017 0.000 2.072 144 L HA -0.074 4.255 4.340 -0.019 0.000 0.205 144 L C 2.088 178.967 176.870 0.015 0.000 1.079 144 L CA 1.228 56.062 54.840 -0.010 0.000 0.752 144 L CB -0.533 41.517 42.059 -0.016 0.000 0.906 144 L HN -0.101 nan 8.230 nan 0.000 0.436 145 V N 0.053 119.974 119.914 0.011 0.000 2.427 145 V HA -0.285 3.824 4.120 -0.019 0.000 0.248 145 V C 2.637 178.762 176.094 0.051 0.000 1.051 145 V CA 2.010 64.327 62.300 0.029 0.000 1.048 145 V CB -0.756 31.076 31.823 0.014 0.000 0.666 145 V HN 0.522 nan 8.190 nan 0.000 0.456 146 K N -0.164 120.258 120.400 0.036 0.000 2.063 146 K HA -0.224 4.084 4.320 -0.019 0.000 0.208 146 K C 2.151 178.786 176.600 0.059 0.000 1.048 146 K CA 1.687 57.999 56.287 0.041 0.000 0.928 146 K CB -0.248 32.266 32.500 0.023 0.000 0.713 146 K HN 0.322 nan 8.250 nan 0.000 0.442 147 L N 1.535 122.785 121.223 0.045 0.000 2.017 147 L HA -0.142 4.186 4.340 -0.019 0.000 0.208 147 L C 0.767 177.737 176.870 0.167 0.000 1.073 147 L CA 1.969 56.841 54.840 0.054 0.000 0.745 147 L CB -0.290 41.741 42.059 -0.047 0.000 0.894 147 L HN 0.149 nan 8.230 nan 0.000 0.432 148 D N -0.950 119.576 120.400 0.210 0.000 2.434 148 D HA -0.006 4.623 4.640 -0.019 0.000 0.232 148 D C 1.836 178.343 176.300 0.345 0.000 1.166 148 D CA 0.266 54.485 54.000 0.366 0.000 0.830 148 D CB 0.121 41.057 40.800 0.227 0.000 0.960 148 D HN 0.616 nan 8.370 nan 0.000 0.497 149 Q N 0.252 120.175 119.800 0.206 0.000 2.197 149 Q HA -0.189 4.140 4.340 -0.019 0.000 0.207 149 Q C 0.990 177.073 176.000 0.139 0.000 0.984 149 Q CA 1.064 56.953 55.803 0.143 0.000 0.869 149 Q CB -0.043 28.750 28.738 0.091 0.000 0.906 149 Q HN 0.008 nan 8.270 nan 0.000 0.426 150 E N 0.172 120.469 120.200 0.163 0.000 2.409 150 E HA -0.132 4.207 4.350 -0.019 0.000 0.198 150 E C 0.969 177.594 176.600 0.042 0.000 1.024 150 E CA 0.639 57.101 56.400 0.104 0.000 0.861 150 E CB -0.187 29.542 29.700 0.048 0.000 0.788 150 E HN 0.602 nan 8.360 nan 0.000 0.521 151 W N 0.521 121.852 121.300 0.051 0.000 2.678 151 W HA -0.011 4.619 4.660 -0.050 0.000 0.256 151 W C 0.589 177.103 176.519 -0.009 0.000 1.280 151 W CA 0.092 57.455 57.345 0.031 0.000 1.345 151 W CB 0.154 29.628 29.460 0.023 0.000 1.118 151 W HN -0.287 nan 8.180 nan 0.000 0.629 152 V N 5.241 125.235 119.914 0.133 0.000 2.390 152 V HA 0.012 4.120 4.120 -0.019 0.000 0.260 152 V C -1.468 174.574 176.094 -0.087 0.000 1.043 152 V CA -1.558 60.750 62.300 0.014 0.000 1.047 152 V CB -0.966 30.835 31.823 -0.036 0.000 1.066 152 V HN -0.186 nan 8.190 nan 0.000 0.481 153 P HA -0.150 nan 4.420 nan 0.000 0.259 153 P C -0.629 176.646 177.300 -0.042 0.000 1.155 153 P CA 0.428 63.543 63.100 0.025 0.000 0.759 153 P CB 0.176 31.924 31.700 0.080 0.000 0.753 154 Y N 2.104 122.435 120.300 0.051 0.000 2.532 154 Y HA 0.281 4.816 4.550 -0.024 0.000 0.337 154 Y C 1.405 177.327 175.900 0.037 0.000 1.274 154 Y CA 0.801 58.929 58.100 0.047 0.000 1.817 154 Y CB -0.017 38.453 38.460 0.017 0.000 1.769 154 Y HN 0.342 nan 8.280 nan 0.000 0.447 155 S N -0.251 115.513 115.700 0.107 0.000 2.552 155 S HA 0.256 4.715 4.470 -0.019 0.000 0.272 155 S C 0.548 175.115 174.600 -0.055 0.000 1.150 155 S CA -0.279 57.948 58.200 0.045 0.000 0.849 155 S CB 0.843 64.079 63.200 0.060 0.000 1.113 155 S HN 0.471 nan 8.310 nan 0.000 0.458 156 T N -0.280 114.131 114.554 -0.238 0.000 3.086 156 T HA 0.209 4.548 4.350 -0.019 0.000 0.250 156 T C 0.896 175.245 174.700 -0.586 0.000 1.074 156 T CA 0.624 62.277 62.100 -0.744 0.000 0.988 156 T CB -0.249 68.282 68.868 -0.563 0.000 0.988 156 T HN 0.747 nan 8.240 nan 0.000 0.530 157 S N -0.159 115.447 115.700 -0.156 0.000 2.754 157 S HA 0.770 5.229 4.470 -0.019 0.000 0.247 157 S C 0.208 174.886 174.600 0.131 0.000 1.031 157 S CA -0.379 57.826 58.200 0.008 0.000 1.014 157 S CB 0.342 63.533 63.200 -0.015 0.000 0.918 157 S HN 0.739 nan 8.310 nan 0.000 0.519 158 A N 1.223 124.165 122.820 0.203 0.000 2.566 158 A HA 0.960 5.269 4.320 -0.019 0.000 0.292 158 A C -0.297 177.428 177.584 0.234 0.000 1.112 158 A CA -0.380 51.771 52.037 0.191 0.000 0.707 158 A CB 1.496 20.569 19.000 0.121 0.000 1.302 158 A HN 0.988 nan 8.150 nan 0.000 0.409 159 S N -0.768 114.987 115.700 0.091 0.000 2.727 159 S HA 0.719 5.177 4.470 -0.019 0.000 0.278 159 S C -1.822 172.731 174.600 -0.078 0.000 1.186 159 S CA -0.569 57.580 58.200 -0.085 0.000 0.836 159 S CB 0.932 63.865 63.200 -0.446 0.000 1.186 159 S HN 1.770 nan 8.310 nan 0.000 0.499 160 L N 2.016 123.142 121.223 -0.162 0.000 2.294 160 L HA 0.582 4.911 4.340 -0.019 0.000 0.283 160 L C -1.241 175.597 176.870 -0.053 0.000 1.015 160 L CA -0.629 54.174 54.840 -0.062 0.000 0.831 160 L CB 0.700 42.737 42.059 -0.036 0.000 1.217 160 L HN 0.800 nan 8.230 nan 0.000 0.420 161 Y N 5.577 125.797 120.300 -0.133 0.000 2.359 161 Y HA 0.523 5.071 4.550 -0.004 0.000 0.330 161 Y C -0.299 175.556 175.900 -0.075 0.000 1.143 161 Y CA -0.268 57.776 58.100 -0.094 0.000 1.318 161 Y CB 0.641 39.038 38.460 -0.105 0.000 1.234 161 Y HN 0.522 nan 8.280 nan 0.000 0.522 162 I N 7.134 127.404 120.570 -0.499 0.000 2.362 162 I HA 0.341 4.500 4.170 -0.019 0.000 0.289 162 I C -0.583 175.213 176.117 -0.536 0.000 0.994 162 I CA -0.987 60.092 61.300 -0.368 0.000 1.158 162 I CB 1.511 39.375 38.000 -0.226 0.000 1.315 162 I HN 0.408 nan 8.210 nan 0.000 0.451 163 R N 8.493 128.829 120.500 -0.273 0.000 2.396 163 R HA 0.485 4.813 4.340 -0.019 0.000 0.292 163 R C -2.859 173.382 176.300 -0.098 0.000 1.240 163 R CA -2.360 53.647 56.100 -0.156 0.000 1.270 163 R CB 0.402 30.729 30.300 0.044 0.000 1.108 163 R HN 0.179 nan 8.270 nan 0.000 0.573 164 P HA 0.273 nan 4.420 nan 0.000 0.275 164 P C -1.108 176.063 177.300 -0.214 0.000 1.227 164 P CA -0.045 62.941 63.100 -0.190 0.000 0.781 164 P CB 1.455 33.050 31.700 -0.175 0.000 0.906 165 T N 2.715 116.987 114.554 -0.470 0.000 2.916 165 T HA 0.520 4.858 4.350 -0.019 0.000 0.298 165 T C -1.360 173.048 174.700 -0.487 0.000 1.031 165 T CA -0.185 61.589 62.100 -0.543 0.000 0.993 165 T CB 0.775 69.030 68.868 -1.022 0.000 1.045 165 T HN 0.067 nan 8.240 nan 0.000 0.454 166 F N 4.576 124.366 119.950 -0.267 0.000 2.500 166 F HA 0.637 5.152 4.527 -0.020 0.000 0.349 166 F C -0.729 175.075 175.800 0.007 0.000 1.127 166 F CA -2.327 55.616 58.000 -0.094 0.000 0.998 166 F CB 0.551 39.546 39.000 -0.008 0.000 1.237 166 F HN 0.565 nan 8.300 nan 0.000 0.439 167 I N 1.724 122.508 120.570 0.356 0.000 2.646 167 I HA 0.860 5.019 4.170 -0.019 0.000 0.299 167 I C 0.185 176.398 176.117 0.159 0.000 1.036 167 I CA -1.131 60.296 61.300 0.212 0.000 1.074 167 I CB 2.071 40.234 38.000 0.273 0.000 1.258 167 I HN 0.589 nan 8.210 nan 0.000 0.430 168 G N 1.973 110.821 108.800 0.081 0.000 2.370 168 G HA2 0.451 4.399 3.960 -0.019 0.000 0.272 168 G HA3 0.451 4.399 3.960 -0.019 0.000 0.272 168 G C 0.406 175.378 174.900 0.119 0.000 1.208 168 G CA -0.148 44.996 45.100 0.073 0.000 0.856 168 G HN 0.879 nan 8.290 nan 0.000 0.500 169 T N -0.867 113.763 114.554 0.127 0.000 3.266 169 T HA 0.216 4.554 4.350 -0.019 0.000 0.278 169 T C 0.389 175.127 174.700 0.064 0.000 1.010 169 T CA -0.496 61.672 62.100 0.114 0.000 0.909 169 T CB 0.357 69.302 68.868 0.129 0.000 1.122 169 T HN 0.489 nan 8.240 nan 0.000 0.536 170 E N 2.930 123.162 120.200 0.054 0.000 2.585 170 E HA 0.099 4.437 4.350 -0.019 0.000 0.252 170 E C -1.766 174.784 176.600 -0.084 0.000 0.981 170 E CA -1.613 54.788 56.400 0.003 0.000 0.943 170 E CB 0.815 30.536 29.700 0.034 0.000 0.923 170 E HN 0.139 nan 8.360 nan 0.000 0.486 171 P HA -0.065 nan 4.420 nan 0.000 0.218 171 P C -0.379 176.708 177.300 -0.355 0.000 1.152 171 P CA 0.855 63.645 63.100 -0.517 0.000 0.826 171 P CB 0.083 31.405 31.700 -0.630 0.000 0.790 172 S N -0.207 115.382 115.700 -0.184 0.000 2.572 172 S HA 0.093 4.552 4.470 -0.019 0.000 0.279 172 S C 1.030 175.594 174.600 -0.061 0.000 1.341 172 S CA -0.272 57.866 58.200 -0.103 0.000 1.043 172 S CB -0.094 63.069 63.200 -0.061 0.000 0.887 172 S HN -0.016 nan 8.310 nan 0.000 0.516 173 L N 1.858 123.058 121.223 -0.039 0.000 2.599 173 L HA 0.223 4.552 4.340 -0.019 0.000 0.230 173 L C 1.605 178.560 176.870 0.142 0.000 1.141 173 L CA -0.038 54.813 54.840 0.019 0.000 0.877 173 L CB -1.243 40.808 42.059 -0.013 0.000 1.009 173 L HN 0.904 nan 8.230 nan 0.000 0.447 174 G N 0.318 109.145 108.800 0.044 0.000 2.441 174 G HA2 0.289 4.238 3.960 -0.019 0.000 0.243 174 G HA3 0.289 4.238 3.960 -0.019 0.000 0.243 174 G C -0.156 174.678 174.900 -0.110 0.000 1.281 174 G CA -0.330 44.756 45.100 -0.023 0.000 0.854 174 G HN -0.082 nan 8.290 nan 0.000 0.560 175 V N 4.881 124.612 119.914 -0.305 0.000 2.352 175 V HA 0.319 4.427 4.120 -0.019 0.000 0.253 175 V C 0.333 176.289 176.094 -0.230 0.000 1.083 175 V CA 0.026 62.020 62.300 -0.511 0.000 0.993 175 V CB -0.554 30.883 31.823 -0.643 0.000 1.111 175 V HN 0.940 nan 8.190 nan 0.000 0.490 176 K N 4.095 124.415 120.400 -0.133 0.000 2.556 176 K HA 0.398 4.707 4.320 -0.019 0.000 0.289 176 K C -0.792 175.786 176.600 -0.036 0.000 1.040 176 K CA -1.133 55.110 56.287 -0.073 0.000 0.894 176 K CB 1.243 33.711 32.500 -0.054 0.000 1.547 176 K HN 0.181 nan 8.250 nan 0.000 0.417 177 K N 2.413 122.795 120.400 -0.030 0.000 2.447 177 K HA 0.133 4.441 4.320 -0.019 0.000 0.281 177 K C -1.844 174.762 176.600 0.010 0.000 1.031 177 K CA -1.079 55.195 56.287 -0.023 0.000 1.019 177 K CB 0.116 32.600 32.500 -0.026 0.000 0.918 177 K HN 0.361 nan 8.250 nan 0.000 0.476 178 P HA -0.041 nan 4.420 nan 0.000 0.268 178 P C -0.023 177.391 177.300 0.189 0.000 1.205 178 P CA 0.028 63.172 63.100 0.074 0.000 0.771 178 P CB 1.021 32.751 31.700 0.049 0.000 0.858 179 T N -1.078 113.577 114.554 0.169 0.000 3.054 179 T HA 0.219 4.557 4.350 -0.019 0.000 0.255 179 T C 0.398 175.139 174.700 0.069 0.000 1.035 179 T CA -0.027 62.161 62.100 0.147 0.000 0.941 179 T CB 0.213 69.075 68.868 -0.010 0.000 1.026 179 T HN 0.438 nan 8.240 nan 0.000 0.533 180 K N 0.205 120.725 120.400 0.200 0.000 2.527 180 K HA 0.712 5.020 4.320 -0.019 0.000 0.260 180 K C -1.972 174.798 176.600 0.284 0.000 0.937 180 K CA -0.708 55.676 56.287 0.163 0.000 0.826 180 K CB 2.195 34.724 32.500 0.047 0.000 1.359 180 K HN 0.222 nan 8.250 nan 0.000 0.434 181 A N 2.311 125.330 122.820 0.333 0.000 2.601 181 A HA 0.683 4.991 4.320 -0.019 0.000 0.291 181 A C -2.337 175.450 177.584 0.340 0.000 1.075 181 A CA -0.718 51.499 52.037 0.301 0.000 0.671 181 A CB 1.487 20.628 19.000 0.235 0.000 1.277 181 A HN 0.550 nan 8.150 nan 0.000 0.417 182 L N 0.557 122.021 121.223 0.402 0.000 2.431 182 L HA 0.867 5.196 4.340 -0.019 0.000 0.266 182 L C -1.855 175.305 176.870 0.484 0.000 0.978 182 L CA -0.604 54.486 54.840 0.417 0.000 0.822 182 L CB 1.912 44.181 42.059 0.350 0.000 1.310 182 L HN 0.901 nan 8.230 nan 0.000 0.409 183 L N 5.809 127.224 121.223 0.319 0.000 2.356 183 L HA 0.809 5.137 4.340 -0.019 0.000 0.277 183 L C -1.355 175.522 176.870 0.012 0.000 0.996 183 L CA -0.362 54.444 54.840 -0.058 0.000 0.822 183 L CB 1.206 42.983 42.059 -0.470 0.000 1.256 183 L HN 0.583 nan 8.230 nan 0.000 0.413 184 F N 3.516 123.404 119.950 -0.104 0.000 2.643 184 F HA 0.914 5.427 4.527 -0.024 0.000 0.314 184 F C -1.415 174.321 175.800 -0.107 0.000 1.096 184 F CA -1.246 56.691 58.000 -0.105 0.000 0.953 184 F CB 1.564 40.529 39.000 -0.058 0.000 1.345 184 F HN 0.139 nan 8.300 nan 0.000 0.468 185 V N 2.932 122.918 119.914 0.121 0.000 2.577 185 V HA 0.525 4.634 4.120 -0.019 0.000 0.303 185 V C -0.483 175.673 176.094 0.103 0.000 1.042 185 V CA -0.665 61.649 62.300 0.023 0.000 0.872 185 V CB 1.605 33.389 31.823 -0.064 0.000 0.998 185 V HN 0.784 nan 8.190 nan 0.000 0.423 186 L N 4.924 126.214 121.223 0.111 0.000 2.322 186 L HA 0.711 5.040 4.340 -0.019 0.000 0.269 186 L C -0.873 176.044 176.870 0.077 0.000 1.012 186 L CA -0.757 54.158 54.840 0.125 0.000 0.815 186 L CB 2.006 44.191 42.059 0.209 0.000 1.295 186 L HN 0.392 nan 8.230 nan 0.000 0.438 187 L N 1.122 122.388 121.223 0.072 0.000 2.386 187 L HA 0.550 4.878 4.340 -0.019 0.000 0.271 187 L C -0.538 176.295 176.870 -0.063 0.000 0.993 187 L CA -0.322 54.505 54.840 -0.021 0.000 0.819 187 L CB 2.056 44.061 42.059 -0.090 0.000 1.294 187 L HN 0.528 nan 8.230 nan 0.000 0.414 188 S N 4.099 119.733 115.700 -0.110 0.000 2.776 188 S HA 0.535 4.994 4.470 -0.019 0.000 0.284 188 S C -2.774 171.732 174.600 -0.157 0.000 1.160 188 S CA -1.221 56.806 58.200 -0.289 0.000 1.051 188 S CB 1.757 64.628 63.200 -0.548 0.000 1.037 188 S HN 0.312 nan 8.310 nan 0.000 0.485 189 P HA 0.276 nan 4.420 nan 0.000 0.271 189 P C -0.305 176.969 177.300 -0.043 0.000 1.220 189 P CA -0.171 62.940 63.100 0.019 0.000 0.768 189 P CB 0.929 32.724 31.700 0.159 0.000 0.848 190 V N 0.278 120.190 119.914 -0.004 0.000 3.160 190 V HA 0.920 5.028 4.120 -0.019 0.000 0.310 190 V C 0.227 176.378 176.094 0.095 0.000 1.181 190 V CA -0.303 62.011 62.300 0.024 0.000 1.047 190 V CB 1.489 33.344 31.823 0.054 0.000 1.068 190 V HN 0.624 nan 8.190 nan 0.000 0.441 191 G N 0.248 109.124 108.800 0.126 0.000 2.887 191 G HA2 0.631 4.580 3.960 -0.019 0.000 0.210 191 G HA3 0.631 4.580 3.960 -0.019 0.000 0.210 191 G C -2.414 172.589 174.900 0.171 0.000 1.964 191 G CA -0.169 45.011 45.100 0.133 0.000 0.738 191 G HN 0.795 nan 8.290 nan 0.000 0.790 192 P HA 0.248 nan 4.420 nan 0.000 0.287 192 P C -0.517 176.890 177.300 0.179 0.000 1.270 192 P CA -0.604 62.608 63.100 0.187 0.000 0.844 192 P CB 2.162 33.968 31.700 0.177 0.000 1.068 193 Y N 1.279 121.556 120.300 -0.039 0.000 2.293 193 Y HA 0.004 4.542 4.550 -0.019 0.000 0.291 193 Y C 0.285 175.892 175.900 -0.488 0.000 1.137 193 Y CA 1.104 58.941 58.100 -0.439 0.000 1.202 193 Y CB -0.294 37.808 38.460 -0.598 0.000 0.990 193 Y HN 0.161 nan 8.280 nan 0.000 0.537 200 N N 5.490 124.318 118.700 0.214 0.000 2.501 200 N HA 0.433 5.162 4.740 -0.019 0.000 0.245 200 N C -2.602 172.919 175.510 0.018 0.000 0.974 200 N CA -1.630 51.475 53.050 0.092 0.000 0.941 200 N CB 1.599 40.123 38.487 0.063 0.000 1.122 200 N HN 0.112 nan 8.380 nan 0.000 0.507 201 P HA 0.013 nan 4.420 nan 0.000 0.269 201 P C -0.401 176.840 177.300 -0.098 0.000 1.209 201 P CA -0.223 62.841 63.100 -0.059 0.000 0.776 201 P CB 1.207 32.885 31.700 -0.036 0.000 0.876 202 V N -0.433 119.399 119.914 -0.137 0.000 2.881 202 V HA 0.759 4.868 4.120 -0.019 0.000 0.316 202 V C -0.054 175.985 176.094 -0.091 0.000 1.070 202 V CA -0.926 61.275 62.300 -0.166 0.000 0.976 202 V CB 1.530 33.174 31.823 -0.300 0.000 1.038 202 V HN 0.698 nan 8.190 nan 0.000 0.446 203 S N 3.531 119.196 115.700 -0.059 0.000 2.509 203 S HA 0.828 5.286 4.470 -0.019 0.000 0.297 203 S C -0.631 173.971 174.600 0.004 0.000 1.118 203 S CA -0.821 57.370 58.200 -0.015 0.000 1.074 203 S CB 1.236 64.445 63.200 0.016 0.000 1.038 203 S HN 0.810 nan 8.310 nan 0.000 0.498 204 L N 1.496 122.727 121.223 0.015 0.000 2.334 204 L HA 0.581 4.909 4.340 -0.019 0.000 0.272 204 L C -1.042 175.891 176.870 0.106 0.000 1.020 204 L CA -0.822 54.038 54.840 0.033 0.000 0.812 204 L CB 1.282 43.326 42.059 -0.025 0.000 1.264 204 L HN 0.812 nan 8.230 nan 0.000 0.439 205 W N 2.443 123.694 121.300 -0.083 0.000 2.278 205 W HA 0.635 5.283 4.660 -0.019 0.000 0.317 205 W C -0.560 175.914 176.519 -0.075 0.000 1.030 205 W CA -0.756 56.552 57.345 -0.061 0.000 1.334 205 W CB 1.314 30.732 29.460 -0.070 0.000 1.215 205 W HN 0.453 nan 8.180 nan 0.000 0.405 206 A N 5.512 128.051 122.820 -0.469 0.000 2.256 206 A HA 0.463 4.771 4.320 -0.019 0.000 0.317 206 A C -0.975 176.267 177.584 -0.571 0.000 1.318 206 A CA -0.548 51.243 52.037 -0.409 0.000 0.894 206 A CB 0.373 19.248 19.000 -0.209 0.000 1.165 206 A HN 0.536 nan 8.150 nan 0.000 0.525 207 N N 3.882 122.200 118.700 -0.635 0.000 2.549 207 N HA 0.366 5.094 4.740 -0.019 0.000 0.281 207 N C -2.021 173.383 175.510 -0.178 0.000 1.084 207 N CA -1.975 50.751 53.050 -0.540 0.000 0.862 207 N CB 2.149 40.086 38.487 -0.916 0.000 1.333 207 N HN 0.231 nan 8.380 nan 0.000 0.523 208 P HA -0.149 nan 4.420 nan 0.000 0.229 208 P C 0.813 178.116 177.300 0.004 0.000 1.150 208 P CA 0.765 63.874 63.100 0.016 0.000 0.765 208 P CB 0.525 32.229 31.700 0.007 0.000 0.783 209 K N -0.578 119.749 120.400 -0.122 0.000 2.211 209 K HA -0.102 4.206 4.320 -0.019 0.000 0.203 209 K C 0.167 176.594 176.600 -0.288 0.000 1.050 209 K CA 0.734 56.867 56.287 -0.257 0.000 0.945 209 K CB -0.143 32.098 32.500 -0.432 0.000 0.732 209 K HN 0.168 nan 8.250 nan 0.000 0.451 210 Y N -0.178 120.257 120.300 0.225 0.000 2.387 210 Y HA 0.363 4.903 4.550 -0.017 0.000 0.336 210 Y C -0.449 175.719 175.900 0.447 0.000 1.067 210 Y CA -1.222 57.093 58.100 0.358 0.000 1.114 210 Y CB 1.909 40.666 38.460 0.495 0.000 1.208 210 Y HN -0.371 nan 8.280 nan 0.000 0.458 211 V N 4.251 124.501 119.914 0.561 0.000 2.444 211 V HA 0.321 4.430 4.120 -0.019 0.000 0.294 211 V C 0.765 177.046 176.094 0.311 0.000 1.022 211 V CA -0.918 61.673 62.300 0.485 0.000 0.850 211 V CB 1.535 33.603 31.823 0.410 0.000 0.992 211 V HN 0.892 nan 8.190 nan 0.000 0.426 212 R N 3.162 123.658 120.500 -0.006 0.000 2.062 212 R HA 0.165 4.494 4.340 -0.019 0.000 0.231 212 R C 0.606 176.722 176.300 -0.306 0.000 1.136 212 R CA 1.641 57.357 56.100 -0.640 0.000 0.948 212 R CB 0.192 29.726 30.300 -1.277 0.000 0.845 212 R HN 0.839 nan 8.270 nan 0.000 0.430 213 A N -1.033 121.687 122.820 -0.167 0.000 2.594 213 A HA 0.533 4.841 4.320 -0.019 0.000 0.291 213 A C -2.018 175.521 177.584 -0.075 0.000 1.105 213 A CA -0.740 51.087 52.037 -0.349 0.000 0.694 213 A CB 0.719 19.420 19.000 -0.499 0.000 1.291 213 A HN 0.417 nan 8.150 nan 0.000 0.410 214 W N 0.335 121.605 121.300 -0.051 0.000 3.031 214 W HA 0.724 5.372 4.660 -0.019 0.000 0.337 214 W C -0.694 175.804 176.519 -0.036 0.000 1.187 214 W CA -1.060 56.306 57.345 0.035 0.000 1.166 214 W CB 0.851 30.431 29.460 0.201 0.000 1.437 214 W HN 0.493 nan 8.180 nan 0.000 0.551 215 K N 1.704 122.220 120.400 0.194 0.000 2.484 215 K HA 0.306 4.615 4.320 -0.019 0.000 0.280 215 K C 0.954 177.667 176.600 0.189 0.000 1.013 215 K CA 1.470 57.823 56.287 0.109 0.000 1.029 215 K CB 0.224 32.826 32.500 0.170 0.000 0.902 215 K HN 1.221 nan 8.250 nan 0.000 0.481 216 G N 2.006 110.839 108.800 0.055 0.000 2.176 216 G HA2 -0.232 3.717 3.960 -0.019 0.000 0.253 216 G HA3 -0.232 3.717 3.960 -0.019 0.000 0.253 216 G C 0.563 175.481 174.900 0.030 0.000 0.979 216 G CA 0.140 45.293 45.100 0.088 0.000 0.641 216 G HN 0.851 nan 8.290 nan 0.000 0.530 217 G N -1.513 107.139 108.800 -0.246 0.000 2.630 217 G HA2 0.538 4.487 3.960 -0.019 0.000 0.223 217 G HA3 0.538 4.487 3.960 -0.019 0.000 0.223 217 G C 0.668 175.325 174.900 -0.405 0.000 1.434 217 G CA 1.040 45.772 45.100 -0.614 0.000 1.057 217 G HN 0.885 nan 8.290 nan 0.000 0.570 218 T N -1.437 112.823 114.554 -0.490 0.000 3.275 218 T HA 0.293 4.631 4.350 -0.019 0.000 0.298 218 T C 1.728 176.241 174.700 -0.311 0.000 0.988 218 T CA 0.848 62.768 62.100 -0.300 0.000 0.936 218 T CB -0.481 68.266 68.868 -0.201 0.000 1.159 218 T HN 0.615 nan 8.240 nan 0.000 0.519 219 G N 1.598 110.149 108.800 -0.414 0.000 2.586 219 G HA2 -0.112 3.836 3.960 -0.019 0.000 0.215 219 G HA3 -0.112 3.836 3.960 -0.019 0.000 0.215 219 G C 1.020 175.771 174.900 -0.248 0.000 1.128 219 G CA 0.921 45.800 45.100 -0.367 0.000 0.774 219 G HN 0.677 nan 8.290 nan 0.000 0.543 220 D N -0.687 119.589 120.400 -0.206 0.000 2.358 220 D HA 0.126 4.754 4.640 -0.019 0.000 0.224 220 D C 0.325 176.558 176.300 -0.113 0.000 1.123 220 D CA -0.471 53.442 54.000 -0.145 0.000 0.833 220 D CB -0.646 40.077 40.800 -0.130 0.000 0.946 220 D HN 0.103 nan 8.370 nan 0.000 0.505 221 C N -0.145 119.086 119.300 -0.115 0.000 2.802 221 C HA 0.433 4.882 4.460 -0.019 0.000 0.307 221 C C 0.458 175.401 174.990 -0.078 0.000 1.222 221 C CA -1.043 57.921 59.018 -0.091 0.000 1.580 221 C CB 2.102 29.794 27.740 -0.081 0.000 2.119 221 C HN 0.061 nan 8.230 nan 0.000 0.479 222 K N 1.538 121.851 120.400 -0.145 0.000 3.006 222 K HA 0.314 4.622 4.320 -0.019 0.000 0.262 222 K C -0.369 176.096 176.600 -0.225 0.000 1.289 222 K CA 0.210 56.311 56.287 -0.310 0.000 1.245 222 K CB -0.124 31.939 32.500 -0.728 0.000 1.614 222 K HN 0.593 nan 8.250 nan 0.000 0.322 223 M N -0.176 119.465 119.600 0.068 0.000 2.144 223 M HA 0.127 4.595 4.480 -0.019 0.000 0.356 223 M C 1.578 178.109 176.300 0.386 0.000 1.217 223 M CA -0.227 55.165 55.300 0.154 0.000 1.087 223 M CB 1.551 34.189 32.600 0.064 0.000 1.609 223 M HN 0.447 nan 8.290 nan 0.000 0.467 224 G N 2.391 111.435 108.800 0.408 0.000 2.597 224 G HA2 -0.284 3.665 3.960 -0.019 0.000 0.222 224 G HA3 -0.284 3.665 3.960 -0.019 0.000 0.222 224 G C 1.326 176.460 174.900 0.390 0.000 1.135 224 G CA 1.355 46.720 45.100 0.441 0.000 0.759 224 G HN 0.992 nan 8.290 nan 0.000 0.595 225 G N 0.891 109.833 108.800 0.237 0.000 2.475 225 G HA2 -0.292 3.656 3.960 -0.019 0.000 0.220 225 G HA3 -0.292 3.656 3.960 -0.019 0.000 0.220 225 G C 1.655 176.608 174.900 0.088 0.000 1.125 225 G CA 1.145 46.338 45.100 0.154 0.000 0.755 225 G HN 0.494 nan 8.290 nan 0.000 0.565 226 N N -0.362 118.340 118.700 0.002 0.000 2.459 226 N HA -0.030 4.698 4.740 -0.019 0.000 0.181 226 N C 1.471 176.694 175.510 -0.479 0.000 1.046 226 N CA 0.842 53.703 53.050 -0.314 0.000 0.904 226 N CB -0.158 38.004 38.487 -0.542 0.000 0.964 226 N HN 0.510 nan 8.380 nan 0.000 0.444 227 Y N 0.057 120.409 120.300 0.087 0.000 2.441 227 Y HA 0.271 4.811 4.550 -0.016 0.000 0.288 227 Y C 2.586 178.553 175.900 0.112 0.000 1.118 227 Y CA 0.320 58.484 58.100 0.108 0.000 1.215 227 Y CB -0.746 37.803 38.460 0.147 0.000 1.118 227 Y HN -0.039 nan 8.280 nan 0.000 0.547 228 G N -0.538 108.405 108.800 0.237 0.000 2.462 228 G HA2 -0.211 3.737 3.960 -0.019 0.000 0.220 228 G HA3 -0.211 3.737 3.960 -0.019 0.000 0.220 228 G C 1.555 176.551 174.900 0.161 0.000 1.121 228 G CA 1.374 46.582 45.100 0.179 0.000 0.758 228 G HN 0.359 nan 8.290 nan 0.000 0.559 229 S N 0.424 116.207 115.700 0.139 0.000 2.562 229 S HA -0.012 4.447 4.470 -0.019 0.000 0.221 229 S C 2.455 177.167 174.600 0.187 0.000 0.975 229 S CA 0.974 59.265 58.200 0.151 0.000 0.918 229 S CB 0.107 63.391 63.200 0.140 0.000 0.772 229 S HN 0.616 nan 8.310 nan 0.000 0.531 230 S N 1.512 117.323 115.700 0.185 0.000 2.486 230 S HA 0.195 4.653 4.470 -0.019 0.000 0.220 230 S C 1.695 176.482 174.600 0.313 0.000 1.011 230 S CA -0.086 58.307 58.200 0.321 0.000 0.921 230 S CB -0.552 62.838 63.200 0.316 0.000 0.785 230 S HN 0.403 nan 8.310 nan 0.000 0.517 231 L N -0.034 121.327 121.223 0.229 0.000 2.081 231 L HA -0.101 4.228 4.340 -0.019 0.000 0.212 231 L C 2.440 179.372 176.870 0.104 0.000 1.080 231 L CA 1.890 56.828 54.840 0.162 0.000 0.754 231 L CB -0.784 41.362 42.059 0.145 0.000 0.893 231 L HN 0.306 nan 8.230 nan 0.000 0.433 232 F N 0.742 120.695 119.950 0.005 0.000 2.134 232 F HA -0.220 4.296 4.527 -0.018 0.000 0.299 232 F C 2.466 178.133 175.800 -0.222 0.000 1.097 232 F CA 1.378 59.330 58.000 -0.080 0.000 1.264 232 F CB -0.189 38.775 39.000 -0.062 0.000 1.001 232 F HN -0.005 nan 8.300 nan 0.000 0.479 233 A N -0.516 122.190 122.820 -0.191 0.000 1.897 233 A HA -0.199 4.110 4.320 -0.019 0.000 0.215 233 A C 2.045 179.525 177.584 -0.173 0.000 1.181 233 A CA 1.523 53.360 52.037 -0.333 0.000 0.620 233 A CB -0.897 17.979 19.000 -0.207 0.000 0.821 233 A HN 0.484 nan 8.150 nan 0.000 0.443 234 Q N -0.241 119.533 119.800 -0.043 0.000 2.030 234 Q HA -0.192 4.136 4.340 -0.019 0.000 0.204 234 Q C 2.035 177.958 176.000 -0.129 0.000 0.986 234 Q CA 2.420 58.211 55.803 -0.020 0.000 0.843 234 Q CB -1.236 27.558 28.738 0.094 0.000 0.904 234 Q HN 0.544 nan 8.270 nan 0.000 0.420 235 C N 0.588 119.778 119.300 -0.184 0.000 2.432 235 C HA -0.056 4.393 4.460 -0.019 0.000 0.280 235 C C 2.512 177.289 174.990 -0.355 0.000 1.353 235 C CA 1.134 60.014 59.018 -0.229 0.000 1.766 235 C CB -0.968 26.637 27.740 -0.226 0.000 1.924 235 C HN 0.768 nan 8.230 nan 0.000 0.509 236 E N 0.132 120.032 120.200 -0.500 0.000 2.208 236 E HA -0.079 4.259 4.350 -0.019 0.000 0.193 236 E C 2.076 178.141 176.600 -0.891 0.000 0.988 236 E CA 1.107 57.091 56.400 -0.694 0.000 0.828 236 E CB -0.072 29.166 29.700 -0.771 0.000 0.763 236 E HN 0.665 nan 8.360 nan 0.000 0.478 237 A N 0.126 122.572 122.820 -0.623 0.000 1.929 237 A HA -0.061 4.247 4.320 -0.019 0.000 0.216 237 A C 2.323 179.713 177.584 -0.324 0.000 1.176 237 A CA 0.996 52.742 52.037 -0.485 0.000 0.628 237 A CB -0.432 18.525 19.000 -0.072 0.000 0.816 237 A HN 0.198 nan 8.150 nan 0.000 0.444 238 V N 2.200 121.973 119.914 -0.236 0.000 2.295 238 V HA -0.226 3.882 4.120 -0.019 0.000 0.246 238 V C 1.994 177.982 176.094 -0.176 0.000 1.049 238 V CA 2.102 64.310 62.300 -0.154 0.000 1.024 238 V CB -0.898 30.858 31.823 -0.113 0.000 0.648 238 V HN 0.856 nan 8.190 nan 0.000 0.447 239 D N -0.702 119.556 120.400 -0.235 0.000 2.348 239 D HA -0.122 4.506 4.640 -0.019 0.000 0.248 239 D C 0.912 177.083 176.300 -0.215 0.000 1.142 239 D CA 0.481 54.360 54.000 -0.202 0.000 0.904 239 D CB -0.433 40.242 40.800 -0.210 0.000 0.901 239 D HN 0.443 nan 8.370 nan 0.000 0.523 240 N N -0.589 117.963 118.700 -0.247 0.000 2.184 240 N HA 0.151 4.880 4.740 -0.019 0.000 0.234 240 N C 1.085 176.540 175.510 -0.092 0.000 1.282 240 N CA 0.508 53.437 53.050 -0.201 0.000 0.877 240 N CB 1.459 39.708 38.487 -0.395 0.000 1.184 240 N HN 0.383 nan 8.380 nan 0.000 0.510 241 G N 0.811 109.562 108.800 -0.082 0.000 2.205 241 G HA2 -0.286 3.663 3.960 -0.019 0.000 0.261 241 G HA3 -0.286 3.663 3.960 -0.019 0.000 0.261 241 G C 0.341 175.231 174.900 -0.016 0.000 0.980 241 G CA 0.395 45.474 45.100 -0.034 0.000 0.632 241 G HN 0.383 nan 8.290 nan 0.000 0.533 242 C N 0.620 119.910 119.300 -0.017 0.000 2.463 242 C HA 0.599 5.047 4.460 -0.019 0.000 0.380 242 C C 1.617 176.613 174.990 0.011 0.000 1.264 242 C CA -0.093 58.937 59.018 0.021 0.000 2.161 242 C CB 1.384 29.184 27.740 0.100 0.000 2.515 242 C HN 0.566 nan 8.230 nan 0.000 0.565 243 Q N 0.118 119.925 119.800 0.013 0.000 2.398 243 Q HA 0.134 4.463 4.340 -0.019 0.000 0.204 243 Q C 0.516 176.605 176.000 0.148 0.000 0.932 243 Q CA 1.066 56.904 55.803 0.057 0.000 0.916 243 Q CB 0.098 28.795 28.738 -0.067 0.000 1.024 243 Q HN 0.651 nan 8.270 nan 0.000 0.504 244 Q N -0.988 118.870 119.800 0.096 0.000 2.511 244 Q HA 0.448 4.777 4.340 -0.019 0.000 0.289 244 Q C -1.172 174.854 176.000 0.044 0.000 1.021 244 Q CA -0.721 55.159 55.803 0.128 0.000 0.785 244 Q CB 2.399 31.238 28.738 0.168 0.000 1.472 244 Q HN -0.087 nan 8.270 nan 0.000 0.411 245 V N 1.833 121.714 119.914 -0.055 0.000 2.481 245 V HA 0.298 4.406 4.120 -0.019 0.000 0.286 245 V C -0.315 175.526 176.094 -0.422 0.000 1.042 245 V CA -0.690 61.427 62.300 -0.306 0.000 0.928 245 V CB 1.413 32.769 31.823 -0.779 0.000 0.986 245 V HN 0.558 nan 8.190 nan 0.000 0.462 246 L N 5.902 126.927 121.223 -0.331 0.000 2.259 246 L HA 0.473 4.801 4.340 -0.019 0.000 0.288 246 L C -0.780 175.940 176.870 -0.250 0.000 1.051 246 L CA -0.215 54.494 54.840 -0.219 0.000 0.824 246 L CB 0.404 42.373 42.059 -0.151 0.000 1.206 246 L HN 0.627 nan 8.230 nan 0.000 0.429 247 W N 6.706 128.045 121.300 0.066 0.000 2.419 247 W HA 0.402 5.048 4.660 -0.023 0.000 0.312 247 W C -0.368 176.205 176.519 0.090 0.000 1.323 247 W CA -0.377 57.025 57.345 0.095 0.000 1.293 247 W CB 0.307 29.825 29.460 0.095 0.000 1.324 247 W HN 0.340 nan 8.180 nan 0.000 0.512 248 L N 4.015 125.438 121.223 0.334 0.000 2.334 248 L HA 0.538 4.866 4.340 -0.019 0.000 0.275 248 L C -0.773 176.318 176.870 0.369 0.000 1.036 248 L CA -1.382 53.618 54.840 0.266 0.000 0.807 248 L CB 1.058 43.217 42.059 0.167 0.000 1.231 248 L HN 0.324 nan 8.230 nan 0.000 0.438 249 Y N 0.997 121.395 120.300 0.163 0.000 2.457 249 Y HA 0.630 5.169 4.550 -0.019 0.000 0.343 249 Y C 0.259 176.195 175.900 0.059 0.000 0.994 249 Y CA 0.085 58.262 58.100 0.128 0.000 1.031 249 Y CB 1.983 40.508 38.460 0.108 0.000 1.246 249 Y HN 0.778 nan 8.280 nan 0.000 0.449 250 G N 4.176 112.605 108.800 -0.618 0.000 2.829 250 G HA2 -0.219 3.730 3.960 -0.019 0.000 0.628 250 G HA3 -0.219 3.730 3.960 -0.019 0.000 0.628 250 G C 0.385 175.075 174.900 -0.349 0.000 1.412 250 G CA 0.023 44.824 45.100 -0.499 0.000 0.864 250 G HN 0.759 nan 8.290 nan 0.000 0.544 251 E N 0.207 120.208 120.200 -0.333 0.000 2.118 251 E HA -0.165 4.173 4.350 -0.019 0.000 0.195 251 E C 1.806 178.074 176.600 -0.554 0.000 0.992 251 E CA 1.637 57.815 56.400 -0.370 0.000 0.804 251 E CB -0.105 29.456 29.700 -0.231 0.000 0.741 251 E HN 0.683 nan 8.360 nan 0.000 0.458 252 D N -0.591 119.589 120.400 -0.367 0.000 2.340 252 D HA -0.100 4.528 4.640 -0.019 0.000 0.220 252 D C -0.292 175.907 176.300 -0.167 0.000 1.039 252 D CA 0.059 53.902 54.000 -0.262 0.000 0.866 252 D CB -0.365 40.358 40.800 -0.128 0.000 0.913 252 D HN 0.118 nan 8.370 nan 0.000 0.523 253 H N 0.149 119.209 119.070 -0.017 0.000 2.680 253 H HA -0.160 4.385 4.556 -0.019 0.000 0.328 253 H C -0.552 174.781 175.328 0.009 0.000 1.139 253 H CA 0.555 56.607 56.048 0.006 0.000 1.124 253 H CB -2.467 27.308 29.762 0.022 0.000 1.584 253 H HN 0.494 nan 8.280 nan 0.000 0.410 254 Q N 0.944 120.818 119.800 0.125 0.000 2.364 254 Q HA 0.327 4.656 4.340 -0.019 0.000 0.267 254 Q C 1.439 177.513 176.000 0.124 0.000 0.999 254 Q CA -0.105 55.770 55.803 0.121 0.000 0.886 254 Q CB 1.076 29.909 28.738 0.158 0.000 1.243 254 Q HN 0.567 nan 8.270 nan 0.000 0.415 255 I N -0.465 120.137 120.570 0.053 0.000 2.352 255 I HA 0.220 4.379 4.170 -0.019 0.000 0.290 255 I C 0.856 176.998 176.117 0.042 0.000 1.036 255 I CA -0.379 60.933 61.300 0.020 0.000 1.336 255 I CB 1.085 39.039 38.000 -0.076 0.000 1.407 255 I HN 0.685 nan 8.210 nan 0.000 0.497 256 T N 2.311 116.924 114.554 0.099 0.000 3.053 256 T HA 0.307 4.646 4.350 -0.019 0.000 0.236 256 T C 0.567 175.294 174.700 0.046 0.000 0.996 256 T CA 0.137 62.279 62.100 0.072 0.000 1.185 256 T CB 0.051 68.975 68.868 0.094 0.000 0.892 256 T HN 0.738 nan 8.240 nan 0.000 0.432 257 E N 0.214 120.505 120.200 0.152 0.000 2.408 257 E HA 0.568 4.907 4.350 -0.019 0.000 0.275 257 E C -1.736 175.008 176.600 0.240 0.000 0.935 257 E CA -0.973 55.525 56.400 0.164 0.000 0.775 257 E CB 3.050 32.856 29.700 0.178 0.000 1.277 257 E HN 0.043 nan 8.360 nan 0.000 0.455 258 V N 2.617 122.637 119.914 0.177 0.000 2.304 258 V HA 0.346 4.455 4.120 -0.019 0.000 0.262 258 V C 0.970 177.217 176.094 0.256 0.000 1.061 258 V CA 0.695 63.088 62.300 0.155 0.000 0.872 258 V CB -0.284 31.602 31.823 0.104 0.000 1.077 258 V HN 1.017 nan 8.190 nan 0.000 0.480 259 G N 5.545 114.531 108.800 0.309 0.000 2.634 259 G HA2 -0.364 3.585 3.960 -0.019 0.000 0.318 259 G HA3 -0.364 3.585 3.960 -0.019 0.000 0.318 259 G C 0.822 176.027 174.900 0.507 0.000 1.207 259 G CA 0.725 46.091 45.100 0.444 0.000 0.987 259 G HN 1.222 nan 8.290 nan 0.000 0.547 260 T N -1.356 113.422 114.554 0.374 0.000 3.251 260 T HA 0.695 5.033 4.350 -0.019 0.000 0.259 260 T C 0.535 175.348 174.700 0.188 0.000 0.998 260 T CA 0.589 62.870 62.100 0.301 0.000 0.905 260 T CB -0.143 68.904 68.868 0.298 0.000 1.067 260 T HN 0.543 nan 8.240 nan 0.000 0.569 261 M N 1.434 121.150 119.600 0.193 0.000 2.591 261 M HA 0.454 4.922 4.480 -0.019 0.000 0.306 261 M C -0.525 175.856 176.300 0.135 0.000 1.190 261 M CA -0.954 54.435 55.300 0.148 0.000 0.889 261 M CB 1.785 34.483 32.600 0.164 0.000 1.728 261 M HN -0.093 nan 8.290 nan 0.000 0.458 262 N N 1.766 120.534 118.700 0.113 0.000 2.482 262 N HA 0.327 5.056 4.740 -0.019 0.000 0.260 262 N C -1.204 174.315 175.510 0.016 0.000 1.236 262 N CA -0.124 52.949 53.050 0.038 0.000 0.938 262 N CB 1.097 39.599 38.487 0.024 0.000 1.128 262 N HN 0.588 nan 8.380 nan 0.000 0.448 263 L N 1.865 123.003 121.223 -0.141 0.000 2.295 263 L HA 0.499 4.827 4.340 -0.019 0.000 0.285 263 L C -1.257 175.325 176.870 -0.480 0.000 1.035 263 L CA -0.517 54.201 54.840 -0.203 0.000 0.806 263 L CB 0.385 42.345 42.059 -0.165 0.000 1.214 263 L HN 0.326 nan 8.230 nan 0.000 0.426 264 F N 4.932 124.594 119.950 -0.481 0.000 2.532 264 F HA 0.550 5.064 4.527 -0.021 0.000 0.321 264 F C -0.683 174.697 175.800 -0.700 0.000 1.089 264 F CA -0.606 56.987 58.000 -0.679 0.000 0.926 264 F CB 2.126 40.412 39.000 -1.189 0.000 1.168 264 F HN 0.270 nan 8.300 nan 0.000 0.459 265 L N 4.605 125.632 121.223 -0.327 0.000 2.376 265 L HA 0.422 4.750 4.340 -0.019 0.000 0.275 265 L C -1.881 174.896 176.870 -0.154 0.000 0.987 265 L CA -0.715 53.913 54.840 -0.353 0.000 0.828 265 L CB 1.225 42.907 42.059 -0.629 0.000 1.249 265 L HN 0.620 nan 8.230 nan 0.000 0.409 266 Y N 6.768 126.975 120.300 -0.154 0.000 2.369 266 Y HA 0.613 5.152 4.550 -0.019 0.000 0.337 266 Y C -1.197 174.777 175.900 0.123 0.000 0.961 266 Y CA -0.633 57.456 58.100 -0.018 0.000 1.186 266 Y CB 0.589 39.065 38.460 0.025 0.000 1.139 266 Y HN 0.777 nan 8.280 nan 0.000 0.494 267 W N 6.173 127.354 121.300 -0.198 0.000 2.871 267 W HA 0.484 5.134 4.660 -0.017 0.000 0.416 267 W C -2.604 173.792 176.519 -0.206 0.000 1.108 267 W CA -1.764 55.437 57.345 -0.241 0.000 1.179 267 W CB 0.001 29.394 29.460 -0.111 0.000 1.479 267 W HN 0.093 nan 8.180 nan 0.000 0.598 268 I N 4.040 124.478 120.570 -0.221 0.000 2.312 268 I HA 0.145 4.303 4.170 -0.019 0.000 0.290 268 I C 0.520 176.094 176.117 -0.906 0.000 1.008 268 I CA -0.899 60.166 61.300 -0.391 0.000 1.226 268 I CB 0.042 37.893 38.000 -0.248 0.000 1.371 268 I HN 0.469 nan 8.210 nan 0.000 0.468 269 N N 5.494 123.644 118.700 -0.917 0.000 2.328 269 N HA 0.054 4.782 4.740 -0.019 0.000 0.277 269 N C 0.656 175.776 175.510 -0.649 0.000 1.286 269 N CA -0.197 52.175 53.050 -1.130 0.000 0.949 269 N CB 0.404 38.582 38.487 -0.515 0.000 1.136 269 N HN 0.338 nan 8.380 nan 0.000 0.550 270 E N -0.971 118.952 120.200 -0.461 0.000 2.118 270 E HA -0.134 4.204 4.350 -0.019 0.000 0.195 270 E C 0.350 176.849 176.600 -0.169 0.000 0.992 270 E CA 1.456 57.706 56.400 -0.249 0.000 0.804 270 E CB -0.281 29.342 29.700 -0.128 0.000 0.741 270 E HN 0.547 nan 8.360 nan 0.000 0.458 271 D N -0.589 119.725 120.400 -0.143 0.000 2.324 271 D HA 0.073 4.702 4.640 -0.019 0.000 0.235 271 D C 0.849 177.090 176.300 -0.097 0.000 1.095 271 D CA 0.841 54.788 54.000 -0.089 0.000 0.871 271 D CB 0.196 40.966 40.800 -0.050 0.000 0.906 271 D HN 0.305 nan 8.370 nan 0.000 0.522 272 G N 1.494 110.204 108.800 -0.151 0.000 2.168 272 G HA2 -0.304 3.645 3.960 -0.019 0.000 0.257 272 G HA3 -0.304 3.645 3.960 -0.019 0.000 0.257 272 G C -0.032 174.805 174.900 -0.106 0.000 0.997 272 G CA 0.046 45.066 45.100 -0.133 0.000 0.708 272 G HN 0.403 nan 8.290 nan 0.000 0.520 273 E N 0.063 120.198 120.200 -0.109 0.000 2.242 273 E HA 0.437 4.775 4.350 -0.019 0.000 0.275 273 E C 0.146 176.716 176.600 -0.050 0.000 1.002 273 E CA -0.756 55.619 56.400 -0.042 0.000 0.841 273 E CB 1.491 31.195 29.700 0.007 0.000 1.109 273 E HN 0.421 nan 8.360 nan 0.000 0.394 274 E N 2.633 122.849 120.200 0.027 0.000 2.344 274 E HA -0.005 4.333 4.350 -0.019 0.000 0.270 274 E C -0.746 175.953 176.600 0.164 0.000 1.021 274 E CA 0.198 56.629 56.400 0.051 0.000 0.887 274 E CB 0.690 30.465 29.700 0.126 0.000 0.997 274 E HN 0.483 nan 8.360 nan 0.000 0.429 275 E N 4.582 124.891 120.200 0.181 0.000 2.372 275 E HA 0.263 4.601 4.350 -0.019 0.000 0.279 275 E C -1.859 174.954 176.600 0.355 0.000 0.946 275 E CA -0.821 55.761 56.400 0.304 0.000 0.769 275 E CB 1.320 31.214 29.700 0.323 0.000 1.230 275 E HN 0.462 nan 8.360 nan 0.000 0.442 276 L N 3.124 124.503 121.223 0.261 0.000 2.305 276 L HA 0.814 5.142 4.340 -0.019 0.000 0.284 276 L C -1.297 175.699 176.870 0.210 0.000 1.013 276 L CA -0.200 54.764 54.840 0.208 0.000 0.819 276 L CB 0.946 43.092 42.059 0.144 0.000 1.227 276 L HN 0.748 nan 8.230 nan 0.000 0.417 277 A N 3.308 126.184 122.820 0.094 0.000 2.413 277 A HA 0.812 5.121 4.320 -0.019 0.000 0.307 277 A C -0.764 176.702 177.584 -0.197 0.000 1.087 277 A CA -0.495 51.535 52.037 -0.011 0.000 0.750 277 A CB 2.130 21.115 19.000 -0.026 0.000 1.296 277 A HN 0.618 nan 8.150 nan 0.000 0.423 278 T N 1.372 115.760 114.554 -0.275 0.000 2.982 278 T HA 0.625 4.963 4.350 -0.019 0.000 0.321 278 T C -3.091 171.409 174.700 -0.334 0.000 1.229 278 T CA -1.135 60.662 62.100 -0.505 0.000 1.044 278 T CB 1.575 69.849 68.868 -0.991 0.000 1.184 278 T HN 0.330 nan 8.240 nan 0.000 0.477 279 P HA 0.163 nan 4.420 nan 0.000 0.266 279 P C -2.480 174.673 177.300 -0.245 0.000 1.193 279 P CA -0.668 62.300 63.100 -0.220 0.000 0.770 279 P CB 0.019 31.636 31.700 -0.138 0.000 0.836 280 P HA 0.136 nan 4.420 nan 0.000 0.276 280 P C -0.540 176.653 177.300 -0.179 0.000 1.252 280 P CA -0.146 62.799 63.100 -0.259 0.000 0.802 280 P CB 0.751 32.225 31.700 -0.377 0.000 1.035 281 L N 2.404 123.549 121.223 -0.131 0.000 2.395 281 L HA 0.110 4.438 4.340 -0.019 0.000 0.268 281 L C 0.866 177.687 176.870 -0.083 0.000 1.223 281 L CA 0.163 54.944 54.840 -0.099 0.000 1.093 281 L CB -0.722 41.290 42.059 -0.078 0.000 1.349 281 L HN 0.415 nan 8.230 nan 0.000 0.427 282 D N 0.316 120.671 120.400 -0.074 0.000 2.463 282 D HA 0.176 4.805 4.640 -0.019 0.000 0.224 282 D C 1.186 177.454 176.300 -0.054 0.000 1.174 282 D CA 0.282 54.262 54.000 -0.033 0.000 0.829 282 D CB 0.985 41.814 40.800 0.048 0.000 0.993 282 D HN 0.537 nan 8.370 nan 0.000 0.497 283 G N 1.409 110.154 108.800 -0.092 0.000 2.259 283 G HA2 -0.285 3.663 3.960 -0.019 0.000 0.217 283 G HA3 -0.285 3.663 3.960 -0.019 0.000 0.217 283 G C 0.849 175.633 174.900 -0.193 0.000 1.001 283 G CA 0.116 45.142 45.100 -0.124 0.000 0.627 283 G HN 0.570 nan 8.290 nan 0.000 0.501 284 I N -1.166 119.272 120.570 -0.220 0.000 3.956 284 I HA 0.521 4.679 4.170 -0.019 0.000 0.333 284 I C -0.086 175.892 176.117 -0.233 0.000 1.302 284 I CA -0.369 60.752 61.300 -0.300 0.000 1.122 284 I CB 0.210 37.932 38.000 -0.463 0.000 1.013 284 I HN -0.062 nan 8.210 nan 0.000 0.405 285 I N 2.636 123.103 120.570 -0.172 0.000 2.433 285 I HA 0.360 4.518 4.170 -0.019 0.000 0.292 285 I C -0.379 175.667 176.117 -0.118 0.000 1.001 285 I CA -0.927 60.292 61.300 -0.135 0.000 1.119 285 I CB 2.017 39.947 38.000 -0.118 0.000 1.289 285 I HN 0.129 nan 8.210 nan 0.000 0.438 286 L N 8.591 129.756 121.223 -0.098 0.000 2.360 286 L HA 0.342 4.670 4.340 -0.019 0.000 0.276 286 L C -2.021 174.819 176.870 -0.052 0.000 1.121 286 L CA -1.166 53.631 54.840 -0.072 0.000 0.845 286 L CB 0.823 42.857 42.059 -0.041 0.000 1.143 286 L HN 0.326 nan 8.230 nan 0.000 0.452 287 P HA 0.113 nan 4.420 nan 0.000 0.259 287 P C -0.075 177.214 177.300 -0.018 0.000 1.635 287 P CA -0.119 62.957 63.100 -0.039 0.000 1.199 287 P CB 0.274 31.947 31.700 -0.044 0.000 1.850 288 G N 1.727 110.530 108.800 0.005 0.000 2.491 288 G HA2 0.104 4.052 3.960 -0.019 0.000 0.242 288 G HA3 0.104 4.052 3.960 -0.019 0.000 0.242 288 G C 1.254 176.173 174.900 0.031 0.000 1.266 288 G CA -0.496 44.624 45.100 0.034 0.000 0.844 288 G HN 0.197 nan 8.290 nan 0.000 0.571 289 V N 1.841 121.773 119.914 0.030 0.000 2.453 289 V HA -0.146 3.962 4.120 -0.019 0.000 0.247 289 V C 3.050 179.161 176.094 0.028 0.000 1.048 289 V CA 2.367 64.666 62.300 -0.000 0.000 1.049 289 V CB -0.761 31.072 31.823 0.016 0.000 0.672 289 V HN 0.817 nan 8.190 nan 0.000 0.457 290 T N -0.055 114.555 114.554 0.093 0.000 2.746 290 T HA -0.240 4.098 4.350 -0.019 0.000 0.267 290 T C 1.997 176.779 174.700 0.135 0.000 1.039 290 T CA 1.755 63.922 62.100 0.111 0.000 1.142 290 T CB -0.286 68.659 68.868 0.127 0.000 0.866 290 T HN 0.420 nan 8.240 nan 0.000 0.444 291 R N 0.965 121.583 120.500 0.198 0.000 2.083 291 R HA -0.161 4.167 4.340 -0.019 0.000 0.237 291 R C 2.575 179.018 176.300 0.237 0.000 1.137 291 R CA 1.660 57.960 56.100 0.333 0.000 0.951 291 R CB -0.163 30.258 30.300 0.201 0.000 0.851 291 R HN 0.095 nan 8.270 nan 0.000 0.434 292 R N 0.663 121.219 120.500 0.093 0.000 2.081 292 R HA -0.075 4.254 4.340 -0.019 0.000 0.235 292 R C 2.119 178.423 176.300 0.006 0.000 1.131 292 R CA 2.077 58.200 56.100 0.039 0.000 0.960 292 R CB -1.234 29.042 30.300 -0.039 0.000 0.856 292 R HN 0.392 nan 8.270 nan 0.000 0.436 293 C N -0.128 119.118 119.300 -0.090 0.000 2.429 293 C HA 0.017 4.466 4.460 -0.019 0.000 0.277 293 C C 2.634 177.662 174.990 0.063 0.000 1.262 293 C CA 0.746 59.664 59.018 -0.165 0.000 1.733 293 C CB -0.928 26.638 27.740 -0.290 0.000 2.010 293 C HN 0.512 nan 8.230 nan 0.000 0.483 294 I N 0.439 121.030 120.570 0.035 0.000 2.252 294 I HA -0.200 3.958 4.170 -0.019 0.000 0.245 294 I C 2.358 178.464 176.117 -0.019 0.000 1.102 294 I CA 1.454 62.721 61.300 -0.055 0.000 1.385 294 I CB -0.375 37.462 38.000 -0.272 0.000 1.064 294 I HN 0.341 nan 8.210 nan 0.000 0.414 295 L N 0.159 121.452 121.223 0.116 0.000 2.046 295 L HA -0.229 4.099 4.340 -0.019 0.000 0.208 295 L C 2.174 179.112 176.870 0.114 0.000 1.077 295 L CA 1.209 56.120 54.840 0.118 0.000 0.747 295 L CB -0.715 41.469 42.059 0.208 0.000 0.896 295 L HN 0.250 nan 8.230 nan 0.000 0.432 296 D N 0.290 120.784 120.400 0.158 0.000 2.092 296 D HA -0.171 4.457 4.640 -0.019 0.000 0.193 296 D C 2.396 178.701 176.300 0.007 0.000 0.994 296 D CA 1.262 55.371 54.000 0.183 0.000 0.828 296 D CB -0.283 40.703 40.800 0.310 0.000 0.963 296 D HN 0.234 nan 8.370 nan 0.000 0.450 297 L N 0.626 121.771 121.223 -0.130 0.000 2.046 297 L HA -0.163 4.166 4.340 -0.019 0.000 0.208 297 L C 2.562 178.876 176.870 -0.927 0.000 1.077 297 L CA 1.236 55.692 54.840 -0.640 0.000 0.747 297 L CB -0.523 41.081 42.059 -0.758 0.000 0.896 297 L HN -0.016 nan 8.230 nan 0.000 0.432 298 A N -0.965 121.558 122.820 -0.495 0.000 1.902 298 A HA -0.232 4.077 4.320 -0.019 0.000 0.217 298 A C 2.147 179.616 177.584 -0.192 0.000 1.181 298 A CA 1.435 53.339 52.037 -0.223 0.000 0.623 298 A CB -0.742 18.289 19.000 0.053 0.000 0.818 298 A HN 0.407 nan 8.150 nan 0.000 0.443 299 H N 0.115 119.127 119.070 -0.096 0.000 2.353 299 H HA -0.147 4.398 4.556 -0.019 0.000 0.300 299 H C 2.447 177.725 175.328 -0.084 0.000 1.090 299 H CA 1.949 57.966 56.048 -0.052 0.000 1.327 299 H CB -0.299 29.455 29.762 -0.014 0.000 1.383 299 H HN 0.907 nan 8.280 nan 0.000 0.508 300 Q N -0.241 119.541 119.800 -0.029 0.000 2.123 300 Q HA -0.132 4.196 4.340 -0.019 0.000 0.199 300 Q C 1.854 177.872 176.000 0.029 0.000 0.966 300 Q CA 1.045 56.821 55.803 -0.045 0.000 0.845 300 Q CB -0.394 28.274 28.738 -0.117 0.000 0.907 300 Q HN 0.292 nan 8.270 nan 0.000 0.439 301 W N 1.504 122.757 121.300 -0.078 0.000 2.374 301 W HA 0.135 4.782 4.660 -0.021 0.000 0.288 301 W C 1.479 177.892 176.519 -0.178 0.000 1.218 301 W CA 1.520 58.782 57.345 -0.139 0.000 1.245 301 W CB -1.120 28.218 29.460 -0.202 0.000 1.126 301 W HN 0.495 nan 8.180 nan 0.000 0.545 302 G N 0.945 109.751 108.800 0.010 0.000 2.361 302 G HA2 -0.358 3.590 3.960 -0.019 0.000 0.294 302 G HA3 -0.358 3.590 3.960 -0.019 0.000 0.294 302 G C 0.778 175.615 174.900 -0.105 0.000 1.004 302 G CA 0.803 45.878 45.100 -0.042 0.000 0.870 302 G HN 0.445 nan 8.290 nan 0.000 0.510 303 E N -1.434 118.587 120.200 -0.300 0.000 2.474 303 E HA 0.358 4.696 4.350 -0.019 0.000 0.194 303 E C 0.540 177.091 176.600 -0.081 0.000 1.041 303 E CA 0.551 56.823 56.400 -0.213 0.000 0.874 303 E CB 0.201 29.784 29.700 -0.195 0.000 0.914 303 E HN 0.797 nan 8.360 nan 0.000 0.498 304 F N -1.850 118.202 119.950 0.170 0.000 2.817 304 F HA 0.407 4.922 4.527 -0.020 0.000 0.317 304 F C -0.897 174.999 175.800 0.160 0.000 1.168 304 F CA -1.765 56.340 58.000 0.175 0.000 0.911 304 F CB 0.722 39.871 39.000 0.249 0.000 1.337 304 F HN -0.461 nan 8.300 nan 0.000 0.464 305 K N 1.227 121.915 120.400 0.481 0.000 2.350 305 K HA 0.592 4.900 4.320 -0.019 0.000 0.279 305 K C -1.422 175.412 176.600 0.389 0.000 1.027 305 K CA -0.344 56.146 56.287 0.338 0.000 0.969 305 K CB 0.954 33.597 32.500 0.240 0.000 0.954 305 K HN 0.610 nan 8.250 nan 0.000 0.474 306 V N 3.416 123.480 119.914 0.249 0.000 2.378 306 V HA 0.260 4.368 4.120 -0.019 0.000 0.288 306 V C -0.836 175.343 176.094 0.141 0.000 1.016 306 V CA -0.659 61.726 62.300 0.142 0.000 0.840 306 V CB 1.501 33.167 31.823 -0.262 0.000 0.994 306 V HN 0.767 nan 8.190 nan 0.000 0.431 307 S N 3.758 119.543 115.700 0.141 0.000 2.532 307 S HA 0.498 4.956 4.470 -0.019 0.000 0.299 307 S C -0.612 174.013 174.600 0.042 0.000 1.105 307 S CA -0.847 57.419 58.200 0.110 0.000 1.018 307 S CB 1.784 65.064 63.200 0.132 0.000 1.021 307 S HN 0.763 nan 8.310 nan 0.000 0.483 308 E N 2.841 123.046 120.200 0.009 0.000 2.035 308 E HA 0.407 4.745 4.350 -0.019 0.000 0.271 308 E C -0.022 176.503 176.600 -0.126 0.000 0.953 308 E CA -0.443 55.912 56.400 -0.075 0.000 0.777 308 E CB 0.722 30.386 29.700 -0.060 0.000 1.104 308 E HN 0.567 nan 8.360 nan 0.000 0.408 309 R N 1.466 121.870 120.500 -0.160 0.000 2.752 309 R HA 0.375 4.704 4.340 -0.019 0.000 0.271 309 R C -1.068 175.110 176.300 -0.203 0.000 1.026 309 R CA -0.945 55.039 56.100 -0.193 0.000 0.901 309 R CB 0.737 31.024 30.300 -0.020 0.000 1.243 309 R HN 0.191 nan 8.270 nan 0.000 0.463 310 Y N 0.665 120.969 120.300 0.006 0.000 2.397 310 Y HA 0.400 4.938 4.550 -0.020 0.000 0.335 310 Y C 0.181 176.078 175.900 -0.005 0.000 1.213 310 Y CA -0.303 57.797 58.100 -0.001 0.000 1.391 310 Y CB 0.978 39.454 38.460 0.025 0.000 1.293 310 Y HN 0.162 nan 8.280 nan 0.000 0.557 311 L N 2.743 124.052 121.223 0.144 0.000 2.470 311 L HA 0.451 4.780 4.340 -0.019 0.000 0.268 311 L C -0.455 176.431 176.870 0.026 0.000 0.964 311 L CA -0.751 54.101 54.840 0.020 0.000 0.839 311 L CB 2.403 44.371 42.059 -0.151 0.000 1.276 311 L HN 0.676 nan 8.230 nan 0.000 0.403 312 T N -1.315 113.258 114.554 0.031 0.000 2.942 312 T HA 0.394 4.733 4.350 -0.019 0.000 0.289 312 T C 1.095 175.781 174.700 -0.023 0.000 1.044 312 T CA -0.928 61.187 62.100 0.025 0.000 1.023 312 T CB 1.620 70.519 68.868 0.052 0.000 1.123 312 T HN 0.388 nan 8.240 nan 0.000 0.512 313 M N 0.975 120.539 119.600 -0.061 0.000 2.195 313 M HA -0.088 4.381 4.480 -0.019 0.000 0.260 313 M C 1.343 177.606 176.300 -0.062 0.000 1.066 313 M CA 1.444 56.635 55.300 -0.181 0.000 1.089 313 M CB -1.367 30.977 32.600 -0.425 0.000 1.377 313 M HN 0.699 nan 8.290 nan 0.000 0.411 314 D N 0.470 120.887 120.400 0.028 0.000 2.117 314 D HA -0.129 4.499 4.640 -0.019 0.000 0.198 314 D C 1.581 177.932 176.300 0.084 0.000 0.982 314 D CA 1.049 55.088 54.000 0.065 0.000 0.828 314 D CB -0.202 40.647 40.800 0.082 0.000 0.967 314 D HN 0.336 nan 8.370 nan 0.000 0.464 315 D N 0.474 120.939 120.400 0.108 0.000 2.117 315 D HA -0.129 4.499 4.640 -0.019 0.000 0.197 315 D C 2.213 178.662 176.300 0.249 0.000 0.987 315 D CA 0.357 54.486 54.000 0.215 0.000 0.829 315 D CB -0.244 40.732 40.800 0.294 0.000 0.961 315 D HN 0.146 nan 8.370 nan 0.000 0.460 316 L N 1.178 122.457 121.223 0.093 0.000 1.976 316 L HA -0.158 4.171 4.340 -0.019 0.000 0.209 316 L C 2.508 179.414 176.870 0.060 0.000 1.071 316 L CA 2.421 57.281 54.840 0.033 0.000 0.746 316 L CB -1.335 40.663 42.059 -0.102 0.000 0.890 316 L HN 0.127 nan 8.230 nan 0.000 0.432 317 T N -4.970 109.602 114.554 0.029 0.000 2.867 317 T HA -0.151 4.187 4.350 -0.019 0.000 0.268 317 T C 1.766 176.505 174.700 0.065 0.000 1.057 317 T CA 1.684 63.809 62.100 0.042 0.000 1.136 317 T CB -1.127 67.768 68.868 0.045 0.000 0.874 317 T HN 0.373 nan 8.240 nan 0.000 0.466 318 T N 2.032 116.634 114.554 0.080 0.000 2.777 318 T HA 0.151 4.489 4.350 -0.019 0.000 0.266 318 T C 2.477 177.222 174.700 0.075 0.000 1.040 318 T CA 1.165 63.308 62.100 0.071 0.000 1.141 318 T CB -0.753 68.157 68.868 0.070 0.000 0.868 318 T HN 0.602 nan 8.240 nan 0.000 0.444 319 A N 1.081 123.980 122.820 0.132 0.000 1.933 319 A HA 0.037 4.345 4.320 -0.019 0.000 0.218 319 A C 2.281 179.926 177.584 0.101 0.000 1.175 319 A CA 1.116 53.239 52.037 0.142 0.000 0.628 319 A CB -0.802 18.428 19.000 0.384 0.000 0.814 319 A HN 0.455 nan 8.150 nan 0.000 0.444 320 L N -0.472 120.808 121.223 0.094 0.000 2.017 320 L HA -0.210 4.118 4.340 -0.019 0.000 0.208 320 L C 2.533 179.433 176.870 0.050 0.000 1.073 320 L CA 1.718 56.597 54.840 0.065 0.000 0.745 320 L CB -0.602 41.488 42.059 0.052 0.000 0.894 320 L HN 0.466 nan 8.230 nan 0.000 0.432 321 E N -0.293 119.935 120.200 0.046 0.000 2.265 321 E HA -0.158 4.181 4.350 -0.019 0.000 0.196 321 E C 1.848 178.462 176.600 0.024 0.000 0.996 321 E CA 0.907 57.328 56.400 0.035 0.000 0.832 321 E CB -0.220 29.500 29.700 0.034 0.000 0.756 321 E HN 0.570 nan 8.360 nan 0.000 0.491 322 G N 0.772 109.585 108.800 0.022 0.000 3.189 322 G HA2 -0.092 3.856 3.960 -0.019 0.000 0.225 322 G HA3 -0.092 3.856 3.960 -0.019 0.000 0.225 322 G C 0.379 175.280 174.900 0.001 0.000 1.159 322 G CA -0.130 44.972 45.100 0.003 0.000 0.763 322 G HN 0.341 nan 8.290 nan 0.000 0.549 323 N N -0.344 118.366 118.700 0.016 0.000 2.721 323 N HA -0.202 4.527 4.740 -0.019 0.000 0.249 323 N C 1.226 176.737 175.510 0.002 0.000 1.072 323 N CA 0.245 53.304 53.050 0.015 0.000 0.710 323 N CB -0.341 38.151 38.487 0.008 0.000 0.993 323 N HN 0.412 nan 8.380 nan 0.000 0.547 324 R N -0.558 119.948 120.500 0.010 0.000 2.334 324 R HA 0.173 4.501 4.340 -0.019 0.000 0.216 324 R C 0.071 176.408 176.300 0.061 0.000 0.905 324 R CA 0.053 56.146 56.100 -0.012 0.000 1.064 324 R CB 0.803 31.057 30.300 -0.078 0.000 1.046 324 R HN -0.001 nan 8.270 nan 0.000 0.508 325 V N 1.046 121.018 119.914 0.096 0.000 2.567 325 V HA 0.204 4.312 4.120 -0.019 0.000 0.289 325 V C 0.980 177.088 176.094 0.023 0.000 1.049 325 V CA -0.122 62.247 62.300 0.115 0.000 0.969 325 V CB 1.803 33.680 31.823 0.091 0.000 0.995 325 V HN 0.222 nan 8.190 nan 0.000 0.471 326 R N 1.921 122.413 120.500 -0.014 0.000 2.197 326 R HA 0.379 4.707 4.340 -0.019 0.000 0.188 326 R C -0.175 176.158 176.300 0.055 0.000 1.015 326 R CA 0.059 56.136 56.100 -0.038 0.000 1.132 326 R CB 0.750 30.911 30.300 -0.232 0.000 1.134 326 R HN 0.714 nan 8.270 nan 0.000 0.560 327 E N 0.248 120.524 120.200 0.127 0.000 2.366 327 E HA 0.400 4.739 4.350 -0.019 0.000 0.278 327 E C -1.600 175.083 176.600 0.138 0.000 0.923 327 E CA -0.445 56.064 56.400 0.182 0.000 0.761 327 E CB 3.189 33.094 29.700 0.343 0.000 1.231 327 E HN -0.092 nan 8.360 nan 0.000 0.443 328 M N 3.535 123.194 119.600 0.097 0.000 2.386 328 M HA 0.609 5.077 4.480 -0.019 0.000 0.293 328 M C -2.029 174.325 176.300 0.089 0.000 1.120 328 M CA -0.627 54.654 55.300 -0.032 0.000 0.909 328 M CB 1.334 33.875 32.600 -0.098 0.000 1.661 328 M HN 0.619 nan 8.290 nan 0.000 0.452 329 F N 1.504 121.451 119.950 -0.006 0.000 2.719 329 F HA 0.889 5.403 4.527 -0.021 0.000 0.309 329 F C -0.749 175.101 175.800 0.084 0.000 1.138 329 F CA -0.911 57.083 58.000 -0.010 0.000 0.943 329 F CB 0.656 39.614 39.000 -0.071 0.000 1.304 329 F HN 0.557 nan 8.300 nan 0.000 0.445 330 G N 0.263 109.241 108.800 0.297 0.000 2.434 330 G HA2 0.614 4.562 3.960 -0.019 0.000 0.330 330 G HA3 0.614 4.562 3.960 -0.019 0.000 0.330 330 G C -1.377 173.747 174.900 0.372 0.000 1.155 330 G CA -0.519 44.737 45.100 0.260 0.000 0.917 330 G HN 1.223 nan 8.290 nan 0.000 0.493 331 S N -0.828 115.073 115.700 0.335 0.000 2.549 331 S HA 0.928 5.387 4.470 -0.019 0.000 0.280 331 S C -0.318 174.400 174.600 0.198 0.000 1.109 331 S CA -0.158 58.222 58.200 0.299 0.000 0.905 331 S CB 2.108 65.539 63.200 0.386 0.000 1.081 331 S HN 2.053 nan 8.310 nan 0.000 0.477 332 G N 0.439 109.321 108.800 0.138 0.000 2.387 332 G HA2 0.421 4.370 3.960 -0.019 0.000 0.294 332 G HA3 0.421 4.370 3.960 -0.019 0.000 0.294 332 G C 0.145 175.084 174.900 0.064 0.000 1.509 332 G CA -0.088 45.062 45.100 0.085 0.000 0.806 332 G HN 0.611 nan 8.290 nan 0.000 0.546 333 T N 1.031 115.637 114.554 0.087 0.000 2.685 333 T HA -0.164 4.175 4.350 -0.019 0.000 0.268 333 T C 2.757 177.518 174.700 0.101 0.000 1.034 333 T CA 3.001 65.184 62.100 0.138 0.000 1.149 333 T CB -0.336 68.670 68.868 0.230 0.000 0.860 333 T HN 1.083 nan 8.240 nan 0.000 0.449 334 A N -0.626 122.154 122.820 -0.066 0.000 1.969 334 A HA 0.047 4.355 4.320 -0.019 0.000 0.218 334 A C 1.695 179.216 177.584 -0.105 0.000 1.169 334 A CA 0.930 52.803 52.037 -0.275 0.000 0.635 334 A CB -0.354 18.008 19.000 -1.063 0.000 0.810 334 A HN 0.580 nan 8.150 nan 0.000 0.445 335 C N -0.786 118.494 119.300 -0.034 0.000 3.123 335 C HA 0.454 4.903 4.460 -0.019 0.000 0.284 335 C C 1.662 176.731 174.990 0.133 0.000 1.076 335 C CA -0.491 58.599 59.018 0.120 0.000 1.416 335 C CB -0.759 27.121 27.740 0.234 0.000 1.841 335 C HN 0.403 nan 8.230 nan 0.000 0.501 336 V N 4.292 124.279 119.914 0.121 0.000 2.277 336 V HA -0.154 3.955 4.120 -0.019 0.000 0.255 336 V C 0.907 177.075 176.094 0.122 0.000 1.074 336 V CA 2.447 64.806 62.300 0.097 0.000 1.058 336 V CB 0.189 32.043 31.823 0.052 0.000 0.656 336 V HN 0.721 nan 8.190 nan 0.000 0.449 337 V N -1.198 118.809 119.914 0.155 0.000 2.509 337 V HA 0.330 4.438 4.120 -0.019 0.000 0.289 337 V C -0.728 175.479 176.094 0.189 0.000 1.026 337 V CA -0.612 61.763 62.300 0.124 0.000 0.872 337 V CB 1.158 32.983 31.823 0.004 0.000 1.017 337 V HN 0.245 nan 8.190 nan 0.000 0.436 338 C N 7.918 127.329 119.300 0.186 0.000 2.317 338 C HA 0.451 4.900 4.460 -0.019 0.000 0.306 338 C C -2.001 173.023 174.990 0.057 0.000 1.087 338 C CA -1.504 57.597 59.018 0.138 0.000 1.529 338 C CB 0.811 28.664 27.740 0.189 0.000 1.880 338 C HN 0.663 nan 8.230 nan 0.000 0.417 339 P HA 0.074 nan 4.420 nan 0.000 0.265 339 P C -0.632 176.623 177.300 -0.076 0.000 1.187 339 P CA 0.568 63.582 63.100 -0.142 0.000 0.766 339 P CB 0.905 32.345 31.700 -0.433 0.000 0.820 340 V N 2.669 122.556 119.914 -0.045 0.000 2.459 340 V HA 0.194 4.303 4.120 -0.019 0.000 0.295 340 V C 1.442 177.476 176.094 -0.100 0.000 1.029 340 V CA 0.173 62.433 62.300 -0.067 0.000 0.874 340 V CB 1.323 33.111 31.823 -0.057 0.000 0.985 340 V HN 0.753 nan 8.190 nan 0.000 0.438 341 S N 1.947 117.584 115.700 -0.105 0.000 2.564 341 S HA 0.290 4.748 4.470 -0.019 0.000 0.231 341 S C 0.055 174.534 174.600 -0.202 0.000 1.067 341 S CA -0.185 57.921 58.200 -0.156 0.000 0.908 341 S CB 0.337 63.506 63.200 -0.052 0.000 0.809 341 S HN 0.733 nan 8.310 nan 0.000 0.491 342 D N -0.116 120.233 120.400 -0.085 0.000 2.661 342 D HA 0.636 5.264 4.640 -0.019 0.000 0.228 342 D C -1.472 174.816 176.300 -0.020 0.000 1.183 342 D CA -0.407 53.572 54.000 -0.034 0.000 0.844 342 D CB 1.880 42.715 40.800 0.058 0.000 1.555 342 D HN 0.167 nan 8.370 nan 0.000 0.453 343 I N 1.378 121.945 120.570 -0.005 0.000 2.478 343 I HA 0.244 4.402 4.170 -0.019 0.000 0.287 343 I C -1.326 174.818 176.117 0.044 0.000 1.042 343 I CA -0.870 60.426 61.300 -0.006 0.000 1.067 343 I CB 1.490 39.451 38.000 -0.066 0.000 1.233 343 I HN 0.076 nan 8.210 nan 0.000 0.431 344 L N 7.614 128.881 121.223 0.073 0.000 2.260 344 L HA 0.382 4.710 4.340 -0.019 0.000 0.289 344 L C -0.864 176.039 176.870 0.055 0.000 1.057 344 L CA -0.099 54.804 54.840 0.106 0.000 0.811 344 L CB 0.178 42.376 42.059 0.232 0.000 1.184 344 L HN 0.370 nan 8.230 nan 0.000 0.429 345 Y N 3.544 123.781 120.300 -0.106 0.000 2.479 345 Y HA 0.328 4.867 4.550 -0.020 0.000 0.338 345 Y C 0.061 175.893 175.900 -0.114 0.000 1.055 345 Y CA -1.411 56.588 58.100 -0.169 0.000 1.023 345 Y CB 1.366 39.734 38.460 -0.155 0.000 1.287 345 Y HN 0.500 nan 8.280 nan 0.000 0.447 346 K N 4.028 124.043 120.400 -0.641 0.000 3.016 346 K HA -0.221 4.088 4.320 -0.019 0.000 0.262 346 K C 0.933 177.414 176.600 -0.197 0.000 1.043 346 K CA 1.308 57.303 56.287 -0.485 0.000 0.761 346 K CB -1.770 30.407 32.500 -0.539 0.000 1.230 346 K HN 1.623 nan 8.250 nan 0.000 0.485 347 G N -0.254 108.481 108.800 -0.108 0.000 2.267 347 G HA2 -0.388 3.561 3.960 -0.019 0.000 0.257 347 G HA3 -0.388 3.561 3.960 -0.019 0.000 0.257 347 G C 0.053 174.958 174.900 0.008 0.000 0.998 347 G CA 0.959 46.046 45.100 -0.021 0.000 0.620 347 G HN 0.681 nan 8.290 nan 0.000 0.529 348 E N 0.086 120.287 120.200 0.002 0.000 2.250 348 E HA 0.654 4.993 4.350 -0.019 0.000 0.265 348 E C -0.947 175.691 176.600 0.063 0.000 1.033 348 E CA -0.467 55.953 56.400 0.033 0.000 0.888 348 E CB 1.278 30.998 29.700 0.033 0.000 1.151 348 E HN 0.025 nan 8.360 nan 0.000 0.412 349 T N 2.212 116.806 114.554 0.067 0.000 2.874 349 T HA 0.343 4.681 4.350 -0.019 0.000 0.321 349 T C -0.016 174.737 174.700 0.088 0.000 1.075 349 T CA -0.503 61.645 62.100 0.081 0.000 0.966 349 T CB -0.156 68.759 68.868 0.078 0.000 1.001 349 T HN 0.327 nan 8.240 nan 0.000 0.476 350 I N 4.192 124.812 120.570 0.083 0.000 2.363 350 I HA 0.153 4.311 4.170 -0.019 0.000 0.292 350 I C 0.967 177.130 176.117 0.076 0.000 1.075 350 I CA -0.568 60.776 61.300 0.074 0.000 1.333 350 I CB 0.282 38.309 38.000 0.044 0.000 1.415 350 I HN 0.531 nan 8.210 nan 0.000 0.502 351 H N 7.623 126.702 119.070 0.015 0.000 2.610 351 H HA 0.314 4.858 4.556 -0.020 0.000 0.336 351 H C -0.783 174.549 175.328 0.006 0.000 1.087 351 H CA -0.527 55.527 56.048 0.010 0.000 1.405 351 H CB 1.192 30.961 29.762 0.012 0.000 1.460 351 H HN 0.343 nan 8.280 nan 0.000 0.538 352 I N 8.178 128.376 120.570 -0.619 0.000 2.339 352 I HA 0.140 4.298 4.170 -0.019 0.000 0.290 352 I C -1.695 174.098 176.117 -0.539 0.000 0.994 352 I CA -2.935 58.128 61.300 -0.395 0.000 1.191 352 I CB 1.378 39.232 38.000 -0.245 0.000 1.343 352 I HN 0.545 nan 8.210 nan 0.000 0.458 353 P HA -0.013 nan 4.420 nan 0.000 0.258 353 P C 1.039 178.330 177.300 -0.015 0.000 1.319 353 P CA 0.410 63.494 63.100 -0.027 0.000 0.785 353 P CB 0.020 31.751 31.700 0.051 0.000 1.252 354 T N 0.811 115.326 114.554 -0.064 0.000 2.592 354 T HA -0.192 4.147 4.350 -0.019 0.000 0.267 354 T C 1.814 176.512 174.700 -0.004 0.000 1.060 354 T CA 1.685 63.773 62.100 -0.021 0.000 1.167 354 T CB -0.493 68.346 68.868 -0.049 0.000 0.863 354 T HN 0.089 nan 8.240 nan 0.000 0.431 355 M N 1.326 120.923 119.600 -0.005 0.000 2.460 355 M HA 0.006 4.475 4.480 -0.019 0.000 0.263 355 M C 1.998 178.333 176.300 0.058 0.000 1.071 355 M CA 0.995 56.311 55.300 0.027 0.000 1.096 355 M CB -0.967 31.659 32.600 0.043 0.000 1.408 355 M HN 0.352 nan 8.290 nan 0.000 0.463 356 E N -0.191 120.051 120.200 0.071 0.000 2.285 356 E HA -0.016 4.323 4.350 -0.019 0.000 0.194 356 E C 0.611 177.247 176.600 0.059 0.000 0.997 356 E CA 0.472 56.916 56.400 0.073 0.000 0.845 356 E CB -0.421 29.334 29.700 0.093 0.000 0.782 356 E HN 0.524 nan 8.360 nan 0.000 0.491 357 N N 0.417 119.151 118.700 0.056 0.000 2.327 357 N HA 0.131 4.860 4.740 -0.019 0.000 0.231 357 N C 0.828 176.381 175.510 0.071 0.000 1.130 357 N CA 0.700 53.786 53.050 0.061 0.000 0.845 357 N CB 1.473 39.998 38.487 0.064 0.000 1.073 357 N HN 0.324 nan 8.380 nan 0.000 0.496 358 G N 1.417 110.256 108.800 0.065 0.000 2.472 358 G HA2 -0.180 3.769 3.960 -0.019 0.000 0.217 358 G HA3 -0.180 3.769 3.960 -0.019 0.000 0.217 358 G C -2.397 172.556 174.900 0.089 0.000 2.125 358 G CA -0.624 44.520 45.100 0.074 0.000 1.637 358 G HN 0.262 nan 8.290 nan 0.000 0.548 359 P HA 0.347 nan 4.420 nan 0.000 0.279 359 P C 0.547 177.885 177.300 0.064 0.000 1.318 359 P CA 0.069 63.186 63.100 0.029 0.000 0.819 359 P CB 1.572 33.200 31.700 -0.119 0.000 0.927 360 K N 1.637 122.088 120.400 0.084 0.000 1.987 360 K HA -0.197 4.111 4.320 -0.019 0.000 0.216 360 K C 1.784 178.401 176.600 0.028 0.000 1.051 360 K CA 1.404 57.735 56.287 0.073 0.000 0.942 360 K CB -0.462 32.100 32.500 0.104 0.000 0.722 360 K HN 0.264 nan 8.250 nan 0.000 0.444 361 L N 0.830 122.053 121.223 -0.001 0.000 2.093 361 L HA -0.094 4.234 4.340 -0.019 0.000 0.208 361 L C 2.153 178.932 176.870 -0.153 0.000 1.085 361 L CA 1.707 56.474 54.840 -0.122 0.000 0.755 361 L CB -0.600 41.194 42.059 -0.441 0.000 0.904 361 L HN 0.190 nan 8.230 nan 0.000 0.435 362 A N -1.405 121.281 122.820 -0.224 0.000 1.883 362 A HA -0.209 4.099 4.320 -0.019 0.000 0.217 362 A C 2.392 179.970 177.584 -0.010 0.000 1.186 362 A CA 2.140 53.918 52.037 -0.431 0.000 0.624 362 A CB -0.966 17.672 19.000 -0.602 0.000 0.822 362 A HN 0.522 nan 8.150 nan 0.000 0.444 363 S N -0.925 114.878 115.700 0.172 0.000 2.355 363 S HA -0.155 4.304 4.470 -0.019 0.000 0.222 363 S C 2.083 176.727 174.600 0.074 0.000 1.031 363 S CA 1.261 59.595 58.200 0.223 0.000 0.993 363 S CB -0.376 62.932 63.200 0.181 0.000 0.859 363 S HN 0.661 nan 8.310 nan 0.000 0.453 364 R N 0.999 121.516 120.500 0.028 0.000 2.096 364 R HA -0.106 4.223 4.340 -0.019 0.000 0.240 364 R C 2.146 178.524 176.300 0.130 0.000 1.139 364 R CA 1.615 57.716 56.100 0.001 0.000 0.952 364 R CB -0.459 29.766 30.300 -0.126 0.000 0.854 364 R HN 0.389 nan 8.270 nan 0.000 0.436 365 I N 0.652 121.315 120.570 0.155 0.000 2.202 365 I HA -0.279 3.879 4.170 -0.019 0.000 0.242 365 I C 2.388 178.561 176.117 0.093 0.000 1.091 365 I CA 0.738 62.147 61.300 0.182 0.000 1.368 365 I CB -0.304 37.696 38.000 -0.000 0.000 1.058 365 I HN 0.261 nan 8.210 nan 0.000 0.410 366 L N 0.177 121.434 121.223 0.057 0.000 2.046 366 L HA -0.216 4.113 4.340 -0.019 0.000 0.208 366 L C 2.606 179.490 176.870 0.023 0.000 1.077 366 L CA 1.999 56.865 54.840 0.043 0.000 0.747 366 L CB -0.679 41.411 42.059 0.052 0.000 0.896 366 L HN 0.154 nan 8.230 nan 0.000 0.432 367 S N -0.939 114.777 115.700 0.026 0.000 2.368 367 S HA -0.239 4.219 4.470 -0.019 0.000 0.225 367 S C 2.142 176.776 174.600 0.056 0.000 1.030 367 S CA 1.612 59.823 58.200 0.019 0.000 0.999 367 S CB -0.295 62.911 63.200 0.009 0.000 0.844 367 S HN 0.495 nan 8.310 nan 0.000 0.459 368 K N 1.146 121.614 120.400 0.112 0.000 2.025 368 K HA 0.133 4.441 4.320 -0.019 0.000 0.207 368 K C 2.025 178.688 176.600 0.105 0.000 1.049 368 K CA 1.386 57.762 56.287 0.148 0.000 0.933 368 K CB -0.682 31.992 32.500 0.290 0.000 0.714 368 K HN 0.416 nan 8.250 nan 0.000 0.438 369 L N 0.558 121.832 121.223 0.085 0.000 2.017 369 L HA -0.195 4.133 4.340 -0.019 0.000 0.208 369 L C 2.470 179.281 176.870 -0.099 0.000 1.073 369 L CA 1.981 56.832 54.840 0.018 0.000 0.745 369 L CB -1.081 40.954 42.059 -0.041 0.000 0.894 369 L HN 0.452 nan 8.230 nan 0.000 0.432 370 T N -4.118 110.407 114.554 -0.047 0.000 2.821 370 T HA -0.173 4.165 4.350 -0.019 0.000 0.267 370 T C 1.506 176.241 174.700 0.058 0.000 1.046 370 T CA 1.261 63.363 62.100 0.003 0.000 1.139 370 T CB -0.390 68.552 68.868 0.123 0.000 0.871 370 T HN 0.173 nan 8.240 nan 0.000 0.454 371 D N 1.268 121.698 120.400 0.049 0.000 2.182 371 D HA 0.020 4.648 4.640 -0.019 0.000 0.201 371 D C 1.971 178.294 176.300 0.038 0.000 0.986 371 D CA 0.779 54.812 54.000 0.055 0.000 0.847 371 D CB -0.276 40.551 40.800 0.045 0.000 0.942 371 D HN 0.484 nan 8.370 nan 0.000 0.467 372 I N 0.338 120.920 120.570 0.021 0.000 2.333 372 I HA -0.202 3.956 4.170 -0.019 0.000 0.246 372 I C 2.322 178.426 176.117 -0.022 0.000 1.106 372 I CA 0.707 62.036 61.300 0.047 0.000 1.411 372 I CB -0.115 37.990 38.000 0.175 0.000 1.082 372 I HN -0.063 nan 8.210 nan 0.000 0.420 373 Q N 0.071 119.713 119.800 -0.264 0.000 2.046 373 Q HA -0.174 4.154 4.340 -0.019 0.000 0.200 373 Q C 1.216 176.863 176.000 -0.588 0.000 0.975 373 Q CA 1.609 56.975 55.803 -0.729 0.000 0.836 373 Q CB -0.147 27.512 28.738 -1.799 0.000 0.896 373 Q HN 0.528 nan 8.270 nan 0.000 0.428 374 Y N -0.207 119.967 120.300 -0.211 0.000 2.496 374 Y HA 0.197 4.731 4.550 -0.027 0.000 0.313 374 Y C 1.322 177.220 175.900 -0.003 0.000 1.184 374 Y CA 0.218 58.293 58.100 -0.041 0.000 1.275 374 Y CB 0.175 38.629 38.460 -0.010 0.000 1.103 374 Y HN 0.252 nan 8.280 nan 0.000 0.513 375 G N 0.561 109.406 108.800 0.074 0.000 2.180 375 G HA2 -0.407 3.542 3.960 -0.019 0.000 0.263 375 G HA3 -0.407 3.542 3.960 -0.019 0.000 0.263 375 G C 1.386 176.324 174.900 0.064 0.000 0.989 375 G CA 0.585 45.726 45.100 0.068 0.000 0.692 375 G HN 0.501 nan 8.290 nan 0.000 0.526 376 R N 0.124 120.667 120.500 0.072 0.000 2.328 376 R HA 0.115 4.443 4.340 -0.019 0.000 0.207 376 R C 0.891 177.209 176.300 0.031 0.000 1.056 376 R CA 1.141 57.270 56.100 0.049 0.000 1.016 376 R CB 0.221 30.549 30.300 0.047 0.000 0.872 376 R HN 0.637 nan 8.270 nan 0.000 0.471 377 E N 0.017 120.233 120.200 0.027 0.000 2.304 377 E HA 0.226 4.565 4.350 -0.019 0.000 0.277 377 E C -1.551 175.048 176.600 -0.000 0.000 0.898 377 E CA -0.161 56.244 56.400 0.008 0.000 0.764 377 E CB 1.619 31.321 29.700 0.004 0.000 1.216 377 E HN 0.122 nan 8.360 nan 0.000 0.419 378 E N 3.281 123.472 120.200 -0.014 0.000 2.283 378 E HA 0.529 4.867 4.350 -0.019 0.000 0.278 378 E C -0.597 175.965 176.600 -0.063 0.000 1.027 378 E CA -0.361 56.026 56.400 -0.022 0.000 0.843 378 E CB 1.567 31.257 29.700 -0.017 0.000 1.062 378 E HN 0.524 nan 8.360 nan 0.000 0.401 379 R N 0.660 121.119 120.500 -0.069 0.000 2.664 379 R HA 0.230 4.558 4.340 -0.019 0.000 0.266 379 R C -0.844 175.403 176.300 -0.088 0.000 1.046 379 R CA 0.093 56.099 56.100 -0.157 0.000 0.885 379 R CB 1.450 31.569 30.300 -0.301 0.000 1.254 379 R HN 0.769 nan 8.270 nan 0.000 0.465 380 D N 1.286 121.619 120.400 -0.110 0.000 2.348 380 D HA -0.066 4.562 4.640 -0.019 0.000 0.248 380 D C 0.236 176.618 176.300 0.137 0.000 1.142 380 D CA 0.115 54.117 54.000 0.002 0.000 0.904 380 D CB 0.145 40.946 40.800 0.001 0.000 0.901 380 D HN 0.407 nan 8.370 nan 0.000 0.523 381 W N 1.234 122.453 121.300 -0.135 0.000 3.139 381 W HA 0.218 4.866 4.660 -0.020 0.000 0.260 381 W C 0.287 176.620 176.519 -0.311 0.000 1.312 381 W CA -0.136 57.028 57.345 -0.301 0.000 1.606 381 W CB -0.521 28.725 29.460 -0.356 0.000 1.118 381 W HN -0.021 nan 8.180 nan 0.000 0.675 382 T N -1.006 113.611 114.554 0.105 0.000 2.863 382 T HA 0.651 4.989 4.350 -0.019 0.000 0.285 382 T C -0.588 174.152 174.700 0.066 0.000 1.009 382 T CA -0.634 61.530 62.100 0.107 0.000 0.989 382 T CB 2.459 71.420 68.868 0.154 0.000 1.004 382 T HN -0.286 nan 8.240 nan 0.000 0.455 383 I N 2.968 123.577 120.570 0.065 0.000 2.378 383 I HA 0.372 4.530 4.170 -0.019 0.000 0.291 383 I C 0.129 176.280 176.117 0.057 0.000 0.992 383 I CA -1.158 60.169 61.300 0.045 0.000 1.154 383 I CB 1.698 39.715 38.000 0.029 0.000 1.315 383 I HN 0.544 nan 8.210 nan 0.000 0.448 384 V N 6.766 126.707 119.914 0.046 0.000 2.649 384 V HA 0.340 4.448 4.120 -0.019 0.000 0.292 384 V C 0.824 176.941 176.094 0.040 0.000 1.055 384 V CA -0.503 61.826 62.300 0.048 0.000 1.023 384 V CB 1.039 32.887 31.823 0.040 0.000 0.992 384 V HN 0.650 nan 8.190 nan 0.000 0.480 385 L N 0.000 121.249 121.223 0.043 0.000 2.949 385 L HA 0.000 4.328 4.340 -0.019 0.000 0.249 385 L CA 0.000 54.861 54.840 0.035 0.000 0.813 385 L CB 0.000 42.077 42.059 0.030 0.000 0.961 385 L HN 0.000 nan 8.230 nan 0.000 0.502