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 2coi_1_B DATA FIRST_RESID 24 DATA SEQUENCE TFKAKDLIVT PATILKEKPD PXNLVFGTVF TDHMLTVEWS SEFGWEKPHI DATA SEQUENCE KPLQNLSLHP GSSALHYAVE LFEGLKAFRG VDNKIRLFQP NLNMDRMYRS DATA SEQUENCE AVRATLPVFD KEELLECIQQ LVKLDQEWVP YSTSASLYIR PTFIGTEPSL DATA SEQUENCE GVKKPTKALL FVLLSPVGPY XXXXXFNPVS 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 0.000 174.640 174.700 -0.100 0.000 1.109 24 T CA 0.000 62.068 62.100 -0.053 0.000 1.349 24 T CB 0.000 68.709 68.868 -0.266 0.000 0.612 25 F N 1.989 121.802 119.950 -0.229 0.000 2.380 25 F HA 0.853 5.371 4.527 -0.015 0.000 0.325 25 F C 0.314 176.053 175.800 -0.100 0.000 1.136 25 F CA -0.716 57.224 58.000 -0.099 0.000 1.171 25 F CB 0.532 39.432 39.000 -0.166 0.000 1.230 25 F HN 0.173 nan 8.300 nan 0.000 0.554 26 K N 1.292 121.782 120.400 0.149 0.000 2.270 26 K HA 0.510 4.821 4.320 -0.015 0.000 0.255 26 K C 0.463 177.125 176.600 0.104 0.000 0.936 26 K CA -0.407 55.915 56.287 0.058 0.000 0.809 26 K CB 1.890 34.409 32.500 0.031 0.000 1.131 26 K HN 0.822 nan 8.250 nan 0.000 0.427 27 A N 2.727 125.588 122.820 0.067 0.000 2.019 27 A HA -0.182 4.129 4.320 -0.015 0.000 0.219 27 A C 2.096 179.689 177.584 0.016 0.000 1.164 27 A CA 2.269 54.334 52.037 0.048 0.000 0.644 27 A CB -0.504 18.511 19.000 0.024 0.000 0.805 27 A HN 0.755 nan 8.150 nan 0.000 0.449 28 K N -0.140 120.267 120.400 0.012 0.000 2.283 28 K HA -0.106 4.204 4.320 -0.015 0.000 0.202 28 K C 1.023 177.621 176.600 -0.004 0.000 1.048 28 K CA 1.596 57.884 56.287 0.001 0.000 0.948 28 K CB -0.551 31.950 32.500 0.002 0.000 0.742 28 K HN 0.565 nan 8.250 nan 0.000 0.458 29 D N -0.146 120.255 120.400 0.002 0.000 2.358 29 D HA 0.165 4.796 4.640 -0.015 0.000 0.224 29 D C -0.106 176.154 176.300 -0.066 0.000 1.123 29 D CA -0.262 53.727 54.000 -0.019 0.000 0.833 29 D CB -0.135 40.669 40.800 0.007 0.000 0.946 29 D HN 0.352 nan 8.370 nan 0.000 0.505 30 L N 1.189 122.373 121.223 -0.064 0.000 2.540 30 L HA 0.033 4.364 4.340 -0.015 0.000 0.276 30 L C 0.511 177.296 176.870 -0.143 0.000 1.212 30 L CA 0.478 55.253 54.840 -0.109 0.000 0.893 30 L CB 0.586 42.601 42.059 -0.072 0.000 1.138 30 L HN -0.155 nan 8.230 nan 0.000 0.491 31 I N 4.535 124.960 120.570 -0.241 0.000 2.359 31 I HA 0.194 4.355 4.170 -0.015 0.000 0.284 31 I C -0.408 175.654 176.117 -0.091 0.000 1.018 31 I CA -0.518 60.658 61.300 -0.207 0.000 1.173 31 I CB 1.478 39.233 38.000 -0.408 0.000 1.326 31 I HN 0.202 nan 8.210 nan 0.000 0.462 32 V N 5.505 125.385 119.914 -0.057 0.000 2.383 32 V HA 0.268 4.379 4.120 -0.015 0.000 0.275 32 V C 0.334 176.411 176.094 -0.028 0.000 1.036 32 V CA -0.147 62.121 62.300 -0.053 0.000 0.889 32 V CB 1.278 33.056 31.823 -0.075 0.000 0.985 32 V HN 0.677 nan 8.190 nan 0.000 0.459 33 T N 7.670 122.212 114.554 -0.020 0.000 3.155 33 T HA 0.315 4.656 4.350 -0.015 0.000 0.384 33 T C -2.451 172.243 174.700 -0.009 0.000 1.351 33 T CA -0.959 61.145 62.100 0.006 0.000 1.198 33 T CB 1.065 69.960 68.868 0.045 0.000 1.106 33 T HN 0.503 nan 8.240 nan 0.000 0.564 34 P HA 0.287 nan 4.420 nan 0.000 0.269 34 P C -0.123 177.309 177.300 0.220 0.000 1.209 34 P CA -0.383 62.740 63.100 0.038 0.000 0.776 34 P CB 0.645 32.359 31.700 0.024 0.000 0.876 35 A N 2.628 125.736 122.820 0.481 0.000 2.483 35 A HA 0.109 4.420 4.320 -0.015 0.000 0.238 35 A C 1.681 179.347 177.584 0.136 0.000 1.070 35 A CA 0.354 52.520 52.037 0.216 0.000 0.770 35 A CB -0.589 18.459 19.000 0.079 0.000 1.008 35 A HN 0.610 nan 8.150 nan 0.000 0.497 36 T N 1.068 115.671 114.554 0.082 0.000 3.014 36 T HA 0.221 4.562 4.350 -0.015 0.000 0.263 36 T C 0.434 175.166 174.700 0.054 0.000 1.078 36 T CA 0.871 63.008 62.100 0.061 0.000 1.135 36 T CB -0.445 68.448 68.868 0.042 0.000 0.895 36 T HN 0.450 nan 8.240 nan 0.000 0.480 37 I N 1.950 122.550 120.570 0.051 0.000 2.466 37 I HA 0.399 4.560 4.170 -0.015 0.000 0.289 37 I C -0.953 175.196 176.117 0.053 0.000 1.026 37 I CA -0.913 60.413 61.300 0.045 0.000 1.078 37 I CB 2.350 40.370 38.000 0.034 0.000 1.249 37 I HN -0.023 nan 8.210 nan 0.000 0.429 38 L N 5.915 127.175 121.223 0.062 0.000 2.322 38 L HA 0.492 4.823 4.340 -0.015 0.000 0.279 38 L C -0.030 176.896 176.870 0.094 0.000 1.036 38 L CA -0.872 54.021 54.840 0.088 0.000 0.807 38 L CB 1.242 43.357 42.059 0.092 0.000 1.226 38 L HN 0.492 nan 8.230 nan 0.000 0.433 39 K N 1.629 122.132 120.400 0.172 0.000 2.118 39 K HA 0.213 4.524 4.320 -0.015 0.000 0.264 39 K C -0.310 176.327 176.600 0.063 0.000 1.000 39 K CA -0.823 55.566 56.287 0.171 0.000 0.929 39 K CB 0.853 33.535 32.500 0.304 0.000 1.021 39 K HN 0.456 nan 8.250 nan 0.000 0.463 40 E N 2.136 122.337 120.200 0.003 0.000 2.354 40 E HA 0.092 4.433 4.350 -0.015 0.000 0.269 40 E C -0.868 175.596 176.600 -0.226 0.000 1.036 40 E CA -0.503 55.831 56.400 -0.111 0.000 0.876 40 E CB 0.490 30.157 29.700 -0.056 0.000 1.009 40 E HN 0.129 nan 8.360 nan 0.000 0.416 41 K N 3.483 123.649 120.400 -0.391 0.000 2.350 41 K HA 0.245 4.556 4.320 -0.015 0.000 0.279 41 K C -1.817 174.688 176.600 -0.159 0.000 1.027 41 K CA -1.355 54.650 56.287 -0.469 0.000 0.969 41 K CB -0.052 32.169 32.500 -0.466 0.000 0.954 41 K HN 0.528 nan 8.250 nan 0.000 0.474 42 P HA 0.010 nan 4.420 nan 0.000 0.274 42 P C -0.722 176.581 177.300 0.004 0.000 1.260 42 P CA -0.340 62.771 63.100 0.018 0.000 0.793 42 P CB 0.578 32.324 31.700 0.076 0.000 1.048 43 D N 0.985 121.392 120.400 0.011 0.000 2.312 43 D HA 0.160 4.791 4.640 -0.015 0.000 0.252 43 D C -1.901 174.414 176.300 0.026 0.000 1.150 43 D CA -1.644 52.363 54.000 0.012 0.000 0.870 43 D CB 0.788 41.592 40.800 0.007 0.000 1.153 43 D HN 0.179 nan 8.370 nan 0.000 0.457 47 L N 2.363 123.600 121.223 0.024 0.000 2.418 47 L HA 0.401 4.732 4.340 -0.015 0.000 0.274 47 L C -0.571 176.311 176.870 0.020 0.000 1.135 47 L CA -0.458 54.393 54.840 0.017 0.000 0.870 47 L CB 0.716 42.791 42.059 0.026 0.000 1.154 47 L HN 0.140 nan 8.230 nan 0.000 0.462 48 V N 5.052 124.964 119.914 -0.002 0.000 2.383 48 V HA 0.111 4.222 4.120 -0.015 0.000 0.275 48 V C 0.188 176.282 176.094 -0.000 0.000 1.036 48 V CA -0.617 61.689 62.300 0.009 0.000 0.889 48 V CB 1.151 32.969 31.823 -0.009 0.000 0.985 48 V HN 0.427 nan 8.190 nan 0.000 0.459 49 F N 5.044 124.943 119.950 -0.084 0.000 2.548 49 F HA 0.265 4.772 4.527 -0.034 0.000 0.403 49 F C 1.398 177.112 175.800 -0.144 0.000 1.004 49 F CA 1.374 59.315 58.000 -0.098 0.000 1.177 49 F CB 0.112 39.086 39.000 -0.043 0.000 0.974 49 F HN 0.879 nan 8.300 nan 0.000 0.541 50 G N 3.930 112.138 108.800 -0.987 0.000 2.283 50 G HA2 -0.350 3.601 3.960 -0.015 0.000 0.280 50 G HA3 -0.350 3.601 3.960 -0.015 0.000 0.280 50 G C 0.695 175.272 174.900 -0.538 0.000 1.029 50 G CA 0.807 45.405 45.100 -0.837 0.000 0.840 50 G HN 1.264 nan 8.290 nan 0.000 0.505 51 T N -4.362 109.924 114.554 -0.447 0.000 2.971 51 T HA 0.530 4.871 4.350 -0.015 0.000 0.252 51 T C 0.625 175.129 174.700 -0.326 0.000 1.022 51 T CA 0.555 62.497 62.100 -0.263 0.000 0.980 51 T CB 1.023 69.829 68.868 -0.103 0.000 1.044 51 T HN 0.578 nan 8.240 nan 0.000 0.501 52 V N 1.897 121.507 119.914 -0.507 0.000 2.555 52 V HA 0.661 4.772 4.120 -0.015 0.000 0.302 52 V C -1.150 174.541 176.094 -0.672 0.000 1.038 52 V CA -1.070 61.026 62.300 -0.339 0.000 0.887 52 V CB 1.482 33.245 31.823 -0.100 0.000 0.991 52 V HN 0.356 nan 8.190 nan 0.000 0.434 53 F N 1.230 121.089 119.950 -0.151 0.000 2.579 53 F HA 0.626 5.180 4.527 0.045 0.000 0.324 53 F C 0.911 176.324 175.800 -0.644 0.000 1.058 53 F CA -0.663 57.159 58.000 -0.297 0.000 0.944 53 F CB 1.978 40.850 39.000 -0.214 0.000 1.245 53 F HN 0.605 nan 8.300 nan 0.000 0.477 54 T N -2.877 111.227 114.554 -0.751 0.000 2.753 54 T HA 0.108 4.449 4.350 -0.015 0.000 0.309 54 T C 0.638 174.844 174.700 -0.825 0.000 1.043 54 T CA -0.400 60.710 62.100 -1.649 0.000 0.964 54 T CB 0.522 68.517 68.868 -1.455 0.000 1.206 54 T HN 0.515 nan 8.240 nan 0.000 0.528 55 D N -0.090 119.898 120.400 -0.687 0.000 2.183 55 D HA 0.010 4.641 4.640 -0.015 0.000 0.203 55 D C 0.719 176.667 176.300 -0.586 0.000 0.969 55 D CA 1.185 54.903 54.000 -0.470 0.000 0.842 55 D CB -0.040 40.486 40.800 -0.456 0.000 0.957 55 D HN 0.563 nan 8.370 nan 0.000 0.484 56 H N -0.775 118.229 119.070 -0.111 0.000 2.812 56 H HA 0.595 5.144 4.556 -0.012 0.000 0.355 56 H C 0.296 175.577 175.328 -0.078 0.000 1.207 56 H CA -0.656 55.352 56.048 -0.066 0.000 1.217 56 H CB 2.083 31.829 29.762 -0.026 0.000 1.874 56 H HN -0.080 nan 8.280 nan 0.000 0.581 57 M N 0.500 120.161 119.600 0.102 0.000 2.622 57 M HA 0.417 4.888 4.480 -0.015 0.000 0.276 57 M C -1.959 174.369 176.300 0.046 0.000 1.265 57 M CA -1.060 54.268 55.300 0.047 0.000 0.850 57 M CB 3.165 35.776 32.600 0.018 0.000 1.720 57 M HN 0.289 nan 8.290 nan 0.000 0.465 58 L N 2.963 124.207 121.223 0.035 0.000 2.322 58 L HA 0.814 5.145 4.340 -0.015 0.000 0.281 58 L C -1.274 175.616 176.870 0.034 0.000 1.014 58 L CA 0.278 55.120 54.840 0.003 0.000 0.815 58 L CB 1.723 43.750 42.059 -0.054 0.000 1.247 58 L HN 1.069 nan 8.230 nan 0.000 0.421 59 T N 2.016 116.584 114.554 0.023 0.000 2.886 59 T HA 0.748 5.089 4.350 -0.015 0.000 0.292 59 T C -0.815 173.894 174.700 0.014 0.000 1.012 59 T CA -0.657 61.472 62.100 0.049 0.000 0.982 59 T CB 1.799 70.683 68.868 0.026 0.000 1.018 59 T HN 0.348 nan 8.240 nan 0.000 0.451 60 V N 2.333 122.257 119.914 0.018 0.000 2.569 60 V HA 0.485 4.596 4.120 -0.015 0.000 0.301 60 V C -0.487 175.783 176.094 0.294 0.000 1.044 60 V CA -0.911 61.409 62.300 0.034 0.000 0.874 60 V CB 1.693 33.267 31.823 -0.415 0.000 1.002 60 V HN 0.922 nan 8.190 nan 0.000 0.424 61 E N 2.391 122.773 120.200 0.303 0.000 2.313 61 E HA 0.391 4.732 4.350 -0.015 0.000 0.272 61 E C -1.232 175.579 176.600 0.353 0.000 1.038 61 E CA -0.318 56.254 56.400 0.287 0.000 0.863 61 E CB 2.711 32.513 29.700 0.171 0.000 1.060 61 E HN 0.722 nan 8.360 nan 0.000 0.402 62 W N 1.375 122.659 121.300 -0.027 0.000 3.032 62 W HA 0.348 4.999 4.660 -0.015 0.000 0.335 62 W C -1.004 175.428 176.519 -0.146 0.000 1.154 62 W CA -0.415 56.758 57.345 -0.287 0.000 1.204 62 W CB 1.360 30.254 29.460 -0.943 0.000 1.416 62 W HN 0.440 nan 8.180 nan 0.000 0.521 63 S N 2.360 117.346 115.700 -1.190 0.000 2.564 63 S HA 0.360 4.821 4.470 -0.015 0.000 0.274 63 S C 0.108 173.607 174.600 -1.836 0.000 1.124 63 S CA -0.148 57.402 58.200 -1.083 0.000 0.869 63 S CB 1.617 64.569 63.200 -0.413 0.000 1.105 63 S HN 0.583 nan 8.310 nan 0.000 0.472 64 S N 0.674 115.599 115.700 -1.291 0.000 2.383 64 S HA -0.129 4.332 4.470 -0.015 0.000 0.227 64 S C 1.795 176.063 174.600 -0.552 0.000 1.026 64 S CA 1.647 59.352 58.200 -0.825 0.000 0.981 64 S CB -0.604 62.412 63.200 -0.308 0.000 0.818 64 S HN 0.822 nan 8.310 nan 0.000 0.472 65 E N -0.306 119.533 120.200 -0.601 0.000 2.158 65 E HA -0.057 4.284 4.350 -0.015 0.000 0.191 65 E C 1.104 177.244 176.600 -0.767 0.000 0.982 65 E CA 0.940 56.922 56.400 -0.698 0.000 0.823 65 E CB -0.502 28.641 29.700 -0.930 0.000 0.766 65 E HN 0.728 nan 8.360 nan 0.000 0.468 66 F N 0.588 120.378 119.950 -0.267 0.000 2.746 66 F HA 0.395 4.913 4.527 -0.016 0.000 0.313 66 F C 1.489 177.189 175.800 -0.167 0.000 1.095 66 F CA 0.135 58.032 58.000 -0.171 0.000 1.224 66 F CB 1.102 40.025 39.000 -0.127 0.000 1.060 66 F HN 0.249 nan 8.300 nan 0.000 0.584 67 G N 0.459 109.098 108.800 -0.268 0.000 2.584 67 G HA2 -0.291 3.660 3.960 -0.015 0.000 0.229 67 G HA3 -0.291 3.660 3.960 -0.015 0.000 0.229 67 G C -0.879 173.963 174.900 -0.097 0.000 1.320 67 G CA -0.835 44.151 45.100 -0.190 0.000 0.891 67 G HN 0.153 nan 8.290 nan 0.000 0.573 68 W N 1.703 123.240 121.300 0.395 0.000 2.216 68 W HA 0.568 5.219 4.660 -0.016 0.000 0.326 68 W C 0.965 177.645 176.519 0.269 0.000 1.319 68 W CA -0.318 57.298 57.345 0.453 0.000 1.213 68 W CB 0.606 30.431 29.460 0.609 0.000 1.171 68 W HN 0.506 nan 8.180 nan 0.000 0.557 69 E N 1.781 122.274 120.200 0.488 0.000 2.602 69 E HA 0.244 4.585 4.350 -0.015 0.000 0.255 69 E C -0.281 176.494 176.600 0.291 0.000 1.268 69 E CA -0.704 55.875 56.400 0.297 0.000 1.007 69 E CB 0.404 30.241 29.700 0.228 0.000 1.208 69 E HN 0.295 nan 8.360 nan 0.000 0.584 70 K N 1.850 122.351 120.400 0.169 0.000 2.237 70 K HA 0.219 4.529 4.320 -0.015 0.000 0.270 70 K C -2.085 174.504 176.600 -0.018 0.000 1.015 70 K CA -1.413 54.911 56.287 0.061 0.000 0.949 70 K CB 0.143 32.610 32.500 -0.054 0.000 0.976 70 K HN 0.264 nan 8.250 nan 0.000 0.472 71 P HA 0.041 nan 4.420 nan 0.000 0.275 71 P C -1.074 176.100 177.300 -0.211 0.000 1.227 71 P CA 0.183 63.172 63.100 -0.186 0.000 0.781 71 P CB 0.766 32.321 31.700 -0.241 0.000 0.906 72 H N 2.533 121.550 119.070 -0.089 0.000 2.529 72 H HA 0.422 4.969 4.556 -0.016 0.000 0.348 72 H C -0.170 175.120 175.328 -0.063 0.000 1.079 72 H CA -0.674 55.340 56.048 -0.058 0.000 1.198 72 H CB 1.790 31.529 29.762 -0.038 0.000 1.521 72 H HN 0.337 nan 8.280 nan 0.000 0.514 73 I N 5.222 125.813 120.570 0.036 0.000 2.330 73 I HA 0.162 4.323 4.170 -0.015 0.000 0.286 73 I C -0.053 176.063 176.117 -0.002 0.000 1.025 73 I CA -0.318 60.976 61.300 -0.010 0.000 1.197 73 I CB 0.504 38.459 38.000 -0.075 0.000 1.358 73 I HN 0.453 nan 8.210 nan 0.000 0.467 74 K N 7.591 128.019 120.400 0.047 0.000 2.409 74 K HA 0.704 5.015 4.320 -0.015 0.000 0.252 74 K C -3.029 173.678 176.600 0.178 0.000 1.036 74 K CA -2.031 54.303 56.287 0.078 0.000 0.871 74 K CB 1.729 34.256 32.500 0.045 0.000 1.374 74 K HN 0.019 nan 8.250 nan 0.000 0.459 75 P HA -0.040 nan 4.420 nan 0.000 0.268 75 P C -0.214 177.094 177.300 0.012 0.000 1.205 75 P CA -0.426 62.761 63.100 0.146 0.000 0.771 75 P CB 0.423 32.176 31.700 0.090 0.000 0.858 76 L N 1.982 123.173 121.223 -0.055 0.000 2.628 76 L HA 0.217 4.548 4.340 -0.015 0.000 0.274 76 L C 0.324 177.131 176.870 -0.105 0.000 1.209 76 L CA 1.593 56.372 54.840 -0.103 0.000 0.930 76 L CB -1.056 40.917 42.059 -0.142 0.000 1.183 76 L HN 0.656 nan 8.230 nan 0.000 0.492 77 Q N 3.465 123.189 119.800 -0.127 0.000 2.565 77 Q HA 0.536 4.867 4.340 -0.015 0.000 0.294 77 Q C -0.611 175.291 176.000 -0.165 0.000 1.005 77 Q CA -0.744 54.985 55.803 -0.123 0.000 0.771 77 Q CB 0.589 29.271 28.738 -0.093 0.000 1.486 77 Q HN 0.685 nan 8.270 nan 0.000 0.422 78 N N 0.278 118.891 118.700 -0.145 0.000 2.453 78 N HA 0.449 5.180 4.740 -0.015 0.000 0.253 78 N C -0.494 174.912 175.510 -0.175 0.000 1.252 78 N CA -0.186 52.768 53.050 -0.159 0.000 0.917 78 N CB 0.534 38.951 38.487 -0.118 0.000 1.117 78 N HN 0.633 nan 8.380 nan 0.000 0.442 79 L N 0.718 121.818 121.223 -0.205 0.000 2.276 79 L HA 0.244 4.575 4.340 -0.015 0.000 0.286 79 L C 0.534 177.326 176.870 -0.129 0.000 1.061 79 L CA -0.455 54.260 54.840 -0.209 0.000 0.807 79 L CB 1.187 43.069 42.059 -0.295 0.000 1.177 79 L HN 0.418 nan 8.230 nan 0.000 0.429 80 S N 5.500 121.140 115.700 -0.099 0.000 2.409 80 S HA 0.572 5.033 4.470 -0.015 0.000 0.308 80 S C -0.508 174.072 174.600 -0.034 0.000 1.080 80 S CA -0.580 57.583 58.200 -0.062 0.000 1.081 80 S CB -0.272 62.896 63.200 -0.054 0.000 1.009 80 S HN 0.409 nan 8.310 nan 0.000 0.502 81 L N 4.681 125.892 121.223 -0.020 0.000 2.362 81 L HA 0.476 4.807 4.340 -0.015 0.000 0.271 81 L C 0.436 177.341 176.870 0.058 0.000 1.002 81 L CA -1.173 53.684 54.840 0.029 0.000 0.818 81 L CB 1.402 43.477 42.059 0.027 0.000 1.298 81 L HN 0.612 nan 8.230 nan 0.000 0.420 82 H N 5.285 124.363 119.070 0.014 0.000 2.964 82 H HA 0.060 4.607 4.556 -0.016 0.000 0.328 82 H C -1.749 173.602 175.328 0.038 0.000 1.030 82 H CA -1.233 54.828 56.048 0.021 0.000 1.445 82 H CB 1.542 31.318 29.762 0.024 0.000 1.449 82 H HN 0.381 nan 8.280 nan 0.000 0.581 83 P HA -0.120 nan 4.420 nan 0.000 0.222 83 P C 1.063 178.545 177.300 0.304 0.000 1.142 83 P CA 1.471 64.592 63.100 0.035 0.000 0.788 83 P CB -0.073 31.575 31.700 -0.086 0.000 0.767 84 G N -0.698 108.442 108.800 0.566 0.000 3.042 84 G HA2 -0.010 3.941 3.960 -0.015 0.000 0.212 84 G HA3 -0.010 3.941 3.960 -0.015 0.000 0.212 84 G C 0.363 175.397 174.900 0.224 0.000 1.166 84 G CA -0.087 45.210 45.100 0.328 0.000 0.767 84 G HN 0.177 nan 8.290 nan 0.000 0.546 85 S N 1.421 117.279 115.700 0.263 0.000 2.784 85 S HA 0.021 4.482 4.470 -0.015 0.000 0.322 85 S C 1.898 176.613 174.600 0.192 0.000 1.234 85 S CA 0.490 58.795 58.200 0.175 0.000 1.064 85 S CB 0.889 64.179 63.200 0.150 0.000 0.787 85 S HN 0.595 nan 8.310 nan 0.000 0.506 86 S N 3.334 119.122 115.700 0.146 0.000 2.440 86 S HA -0.227 4.234 4.470 -0.015 0.000 0.240 86 S C 1.857 176.531 174.600 0.122 0.000 1.014 86 S CA 0.770 59.063 58.200 0.156 0.000 0.980 86 S CB -0.460 62.880 63.200 0.232 0.000 0.775 86 S HN 0.862 nan 8.310 nan 0.000 0.499 87 A N 1.493 124.381 122.820 0.112 0.000 2.067 87 A HA 0.234 4.544 4.320 -0.015 0.000 0.219 87 A C 2.164 179.770 177.584 0.037 0.000 1.158 87 A CA 1.085 53.179 52.037 0.094 0.000 0.661 87 A CB -0.581 18.489 19.000 0.116 0.000 0.801 87 A HN 0.596 nan 8.150 nan 0.000 0.452 88 L N -2.206 119.009 121.223 -0.013 0.000 2.416 88 L HA 0.068 4.399 4.340 -0.015 0.000 0.216 88 L C 2.212 178.862 176.870 -0.367 0.000 1.098 88 L CA 0.504 55.243 54.840 -0.167 0.000 0.840 88 L CB -0.383 41.547 42.059 -0.215 0.000 0.981 88 L HN 0.438 nan 8.230 nan 0.000 0.462 89 H N -1.632 117.281 119.070 -0.261 0.000 2.506 89 H HA 0.124 4.671 4.556 -0.014 0.000 0.289 89 H C 0.640 175.624 175.328 -0.573 0.000 1.009 89 H CA 0.856 56.573 56.048 -0.552 0.000 1.303 89 H CB 0.643 29.799 29.762 -1.010 0.000 1.453 89 H HN 0.301 nan 8.280 nan 0.000 0.526 90 Y N -0.220 120.181 120.300 0.168 0.000 2.706 90 Y HA 0.458 4.999 4.550 -0.015 0.000 0.255 90 Y C 1.019 176.972 175.900 0.088 0.000 1.163 90 Y CA 0.044 58.211 58.100 0.111 0.000 1.174 90 Y CB 0.918 39.434 38.460 0.093 0.000 1.200 90 Y HN 0.103 nan 8.280 nan 0.000 0.544 91 A N 0.208 123.126 122.820 0.163 0.000 2.748 91 A HA -0.213 4.098 4.320 -0.015 0.000 0.297 91 A C 0.048 177.715 177.584 0.137 0.000 1.508 91 A CA 0.715 52.836 52.037 0.140 0.000 0.799 91 A CB -2.294 16.793 19.000 0.145 0.000 1.011 91 A HN 0.209 nan 8.150 nan 0.000 0.500 92 V N 1.329 121.326 119.914 0.138 0.000 2.302 92 V HA 0.444 4.554 4.120 -0.015 0.000 0.244 92 V C 0.476 176.609 176.094 0.064 0.000 1.160 92 V CA 1.163 63.516 62.300 0.090 0.000 1.127 92 V CB -0.680 31.200 31.823 0.096 0.000 1.253 92 V HN 0.872 nan 8.190 nan 0.000 0.496 93 E N 4.791 125.032 120.200 0.067 0.000 2.389 93 E HA 0.664 5.004 4.350 -0.015 0.000 0.281 93 E C -1.627 175.051 176.600 0.129 0.000 1.072 93 E CA -1.120 55.338 56.400 0.096 0.000 0.845 93 E CB 2.018 31.805 29.700 0.145 0.000 1.239 93 E HN 0.281 nan 8.360 nan 0.000 0.434 94 L N -0.922 120.399 121.223 0.164 0.000 2.491 94 L HA 0.918 5.249 4.340 -0.015 0.000 0.254 94 L C -1.086 175.946 176.870 0.269 0.000 1.048 94 L CA -0.896 54.051 54.840 0.178 0.000 0.855 94 L CB 1.521 43.631 42.059 0.086 0.000 1.466 94 L HN 0.742 nan 8.230 nan 0.000 0.409 95 F N -2.426 117.541 119.950 0.029 0.000 2.711 95 F HA 0.937 5.456 4.527 -0.013 0.000 0.313 95 F C -0.964 174.831 175.800 -0.009 0.000 1.141 95 F CA -0.546 57.442 58.000 -0.020 0.000 0.941 95 F CB 1.516 40.481 39.000 -0.058 0.000 1.349 95 F HN 0.587 nan 8.300 nan 0.000 0.464 96 E N -0.029 120.229 120.200 0.096 0.000 2.410 96 E HA 0.710 5.051 4.350 -0.015 0.000 0.269 96 E C -1.301 175.358 176.600 0.099 0.000 0.937 96 E CA -1.029 55.363 56.400 -0.014 0.000 0.793 96 E CB 2.155 31.833 29.700 -0.036 0.000 1.314 96 E HN 1.074 nan 8.360 nan 0.000 0.447 97 G N 1.131 109.950 108.800 0.031 0.000 2.733 97 G HA2 0.557 4.508 3.960 -0.015 0.000 0.289 97 G HA3 0.557 4.508 3.960 -0.015 0.000 0.289 97 G C -1.393 173.476 174.900 -0.052 0.000 1.473 97 G CA -0.470 44.610 45.100 -0.033 0.000 1.123 97 G HN 0.160 nan 8.290 nan 0.000 0.544 98 L N -1.182 119.905 121.223 -0.227 0.000 2.630 98 L HA 0.829 5.160 4.340 -0.015 0.000 0.258 98 L C -0.713 176.084 176.870 -0.122 0.000 1.072 98 L CA -2.070 52.739 54.840 -0.052 0.000 0.885 98 L CB 0.799 42.857 42.059 -0.002 0.000 1.502 98 L HN 0.525 nan 8.230 nan 0.000 0.406 99 K N -0.071 120.317 120.400 -0.019 0.000 2.444 99 K HA 0.965 5.276 4.320 -0.015 0.000 0.252 99 K C -1.257 175.232 176.600 -0.185 0.000 0.993 99 K CA -0.717 55.453 56.287 -0.195 0.000 0.847 99 K CB 2.665 34.882 32.500 -0.472 0.000 1.340 99 K HN 0.978 nan 8.250 nan 0.000 0.446 100 A N 1.505 124.140 122.820 -0.307 0.000 2.342 100 A HA 0.791 5.101 4.320 -0.015 0.000 0.323 100 A C -1.403 175.986 177.584 -0.324 0.000 1.125 100 A CA -0.537 51.422 52.037 -0.130 0.000 0.785 100 A CB 0.221 19.187 19.000 -0.056 0.000 1.221 100 A HN 0.507 nan 8.150 nan 0.000 0.463 101 F N 0.550 120.453 119.950 -0.077 0.000 2.520 101 F HA 0.557 5.081 4.527 -0.005 0.000 0.322 101 F C 0.571 176.343 175.800 -0.047 0.000 1.103 101 F CA -0.556 57.346 58.000 -0.162 0.000 0.926 101 F CB 2.034 40.715 39.000 -0.531 0.000 1.154 101 F HN 0.638 nan 8.300 nan 0.000 0.453 102 R N 1.733 122.371 120.500 0.231 0.000 2.210 102 R HA 0.490 4.821 4.340 -0.015 0.000 0.338 102 R C 0.396 176.876 176.300 0.300 0.000 1.062 102 R CA -0.270 55.926 56.100 0.160 0.000 0.902 102 R CB 0.304 30.602 30.300 -0.003 0.000 1.050 102 R HN 0.912 nan 8.270 nan 0.000 0.461 103 G N 1.460 110.385 108.800 0.209 0.000 2.699 103 G HA2 0.048 3.999 3.960 -0.015 0.000 0.246 103 G HA3 0.048 3.999 3.960 -0.015 0.000 0.246 103 G C 1.087 176.095 174.900 0.180 0.000 1.219 103 G CA -0.168 45.060 45.100 0.215 0.000 0.866 103 G HN 0.592 nan 8.290 nan 0.000 0.572 104 V N -1.557 118.447 119.914 0.151 0.000 3.078 104 V HA -0.016 4.094 4.120 -0.015 0.000 0.265 104 V C 1.507 177.649 176.094 0.080 0.000 1.122 104 V CA 1.906 64.263 62.300 0.094 0.000 1.141 104 V CB -0.501 31.361 31.823 0.066 0.000 0.735 104 V HN 0.653 nan 8.190 nan 0.000 0.498 105 D N -0.900 119.550 120.400 0.084 0.000 2.363 105 D HA 0.079 4.710 4.640 -0.015 0.000 0.214 105 D C 1.046 177.392 176.300 0.077 0.000 1.093 105 D CA 0.238 54.279 54.000 0.069 0.000 0.837 105 D CB -0.601 40.234 40.800 0.058 0.000 0.948 105 D HN 0.477 nan 8.370 nan 0.000 0.507 106 N N -0.090 118.666 118.700 0.094 0.000 2.878 106 N HA -0.173 4.558 4.740 -0.015 0.000 0.247 106 N C -1.029 174.527 175.510 0.077 0.000 1.021 106 N CA 0.682 53.790 53.050 0.097 0.000 0.873 106 N CB -0.670 37.886 38.487 0.114 0.000 1.128 106 N HN 0.162 nan 8.380 nan 0.000 0.571 107 K N 0.841 121.287 120.400 0.076 0.000 2.234 107 K HA 0.332 4.643 4.320 -0.015 0.000 0.282 107 K C 0.382 177.025 176.600 0.073 0.000 1.039 107 K CA -0.437 55.889 56.287 0.066 0.000 0.928 107 K CB 0.884 33.421 32.500 0.062 0.000 1.039 107 K HN 0.264 nan 8.250 nan 0.000 0.470 108 I N 3.962 124.569 120.570 0.062 0.000 2.371 108 I HA 0.191 4.352 4.170 -0.015 0.000 0.290 108 I C 0.504 176.672 176.117 0.084 0.000 1.028 108 I CA -0.241 61.100 61.300 0.068 0.000 1.345 108 I CB 0.655 38.682 38.000 0.044 0.000 1.407 108 I HN 0.255 nan 8.210 nan 0.000 0.501 109 R N 6.327 126.901 120.500 0.123 0.000 2.740 109 R HA 0.691 5.022 4.340 -0.015 0.000 0.282 109 R C -1.197 175.226 176.300 0.205 0.000 0.969 109 R CA -0.973 55.211 56.100 0.140 0.000 0.918 109 R CB 2.263 32.639 30.300 0.127 0.000 1.175 109 R HN 0.488 nan 8.270 nan 0.000 0.464 110 L N 2.169 123.492 121.223 0.167 0.000 2.334 110 L HA 0.483 4.814 4.340 -0.015 0.000 0.275 110 L C -0.748 176.271 176.870 0.249 0.000 1.036 110 L CA -0.740 54.215 54.840 0.191 0.000 0.807 110 L CB 1.123 43.239 42.059 0.095 0.000 1.231 110 L HN 0.492 nan 8.230 nan 0.000 0.438 111 F N 3.153 123.193 119.950 0.150 0.000 2.402 111 F HA 0.254 4.774 4.527 -0.012 0.000 0.355 111 F C 0.517 176.342 175.800 0.041 0.000 1.123 111 F CA -0.385 57.677 58.000 0.102 0.000 1.021 111 F CB 0.604 39.687 39.000 0.138 0.000 1.160 111 F HN 0.535 nan 8.300 nan 0.000 0.451 112 Q N 5.008 124.510 119.800 -0.496 0.000 2.437 112 Q HA -0.201 4.130 4.340 -0.015 0.000 0.274 112 Q C -1.647 174.255 176.000 -0.165 0.000 1.165 112 Q CA 0.862 56.408 55.803 -0.429 0.000 0.925 112 Q CB -1.367 26.966 28.738 -0.675 0.000 1.327 112 Q HN 0.604 nan 8.270 nan 0.000 0.505 113 P HA -0.208 nan 4.420 nan 0.000 0.217 113 P C 0.743 178.019 177.300 -0.039 0.000 1.148 113 P CA 1.534 64.617 63.100 -0.027 0.000 0.828 113 P CB -0.057 31.640 31.700 -0.005 0.000 0.783 114 N N -0.328 118.337 118.700 -0.058 0.000 2.309 114 N HA -0.045 4.685 4.740 -0.015 0.000 0.182 114 N C 1.911 177.386 175.510 -0.058 0.000 1.018 114 N CA 0.673 53.692 53.050 -0.052 0.000 0.876 114 N CB -0.604 37.846 38.487 -0.060 0.000 0.972 114 N HN 0.155 nan 8.380 nan 0.000 0.434 115 L N 0.442 121.615 121.223 -0.083 0.000 2.201 115 L HA -0.075 4.256 4.340 -0.015 0.000 0.212 115 L C 1.665 178.510 176.870 -0.042 0.000 1.105 115 L CA 0.776 55.568 54.840 -0.080 0.000 0.775 115 L CB -0.323 41.661 42.059 -0.124 0.000 0.913 115 L HN 0.325 nan 8.230 nan 0.000 0.440 116 N N -0.287 118.396 118.700 -0.028 0.000 2.216 116 N HA -0.103 4.628 4.740 -0.015 0.000 0.183 116 N C 1.878 177.408 175.510 0.034 0.000 1.017 116 N CA 1.104 54.151 53.050 -0.004 0.000 0.861 116 N CB 0.003 38.485 38.487 -0.008 0.000 0.986 116 N HN 0.252 nan 8.380 nan 0.000 0.428 117 M N 1.348 120.973 119.600 0.042 0.000 2.117 117 M HA -0.099 4.371 4.480 -0.015 0.000 0.262 117 M C 1.317 177.693 176.300 0.127 0.000 1.065 117 M CA 1.274 56.644 55.300 0.117 0.000 1.114 117 M CB -1.089 31.562 32.600 0.085 0.000 1.361 117 M HN 0.019 nan 8.290 nan 0.000 0.408 118 D N -0.254 120.166 120.400 0.034 0.000 2.084 118 D HA -0.165 4.465 4.640 -0.015 0.000 0.194 118 D C 2.149 178.487 176.300 0.062 0.000 0.990 118 D CA 1.206 55.209 54.000 0.006 0.000 0.826 118 D CB -0.347 40.427 40.800 -0.043 0.000 0.971 118 D HN 0.332 nan 8.370 nan 0.000 0.453 119 R N 0.071 120.594 120.500 0.038 0.000 2.081 119 R HA -0.050 4.281 4.340 -0.015 0.000 0.235 119 R C 2.370 178.711 176.300 0.069 0.000 1.131 119 R CA 0.964 57.082 56.100 0.029 0.000 0.960 119 R CB -0.234 30.059 30.300 -0.010 0.000 0.856 119 R HN 0.140 nan 8.270 nan 0.000 0.436 120 M N -0.582 119.089 119.600 0.119 0.000 2.159 120 M HA -0.230 4.241 4.480 -0.015 0.000 0.263 120 M C 1.791 178.263 176.300 0.287 0.000 1.063 120 M CA 1.677 57.095 55.300 0.197 0.000 1.110 120 M CB -0.199 32.550 32.600 0.249 0.000 1.374 120 M HN 0.256 nan 8.290 nan 0.000 0.411 121 Y N 0.828 121.197 120.300 0.115 0.000 2.200 121 Y HA -0.212 4.328 4.550 -0.016 0.000 0.290 121 Y C 2.222 178.084 175.900 -0.064 0.000 1.137 121 Y CA 1.884 59.931 58.100 -0.087 0.000 1.163 121 Y CB -0.103 38.214 38.460 -0.239 0.000 0.988 121 Y HN 0.187 nan 8.280 nan 0.000 0.518 122 R N -0.720 119.876 120.500 0.160 0.000 2.081 122 R HA -0.137 4.194 4.340 -0.015 0.000 0.235 122 R C 2.412 178.702 176.300 -0.016 0.000 1.131 122 R CA 1.557 57.696 56.100 0.065 0.000 0.960 122 R CB -0.546 29.784 30.300 0.049 0.000 0.856 122 R HN 0.213 nan 8.270 nan 0.000 0.436 123 S N 0.871 116.573 115.700 0.003 0.000 2.382 123 S HA -0.119 4.342 4.470 -0.015 0.000 0.228 123 S C 2.101 176.676 174.600 -0.041 0.000 1.027 123 S CA 1.133 59.322 58.200 -0.018 0.000 0.991 123 S CB -0.148 63.051 63.200 -0.002 0.000 0.823 123 S HN 0.478 nan 8.310 nan 0.000 0.469 124 A N 1.247 124.051 122.820 -0.026 0.000 1.883 124 A HA -0.074 4.237 4.320 -0.015 0.000 0.217 124 A C 2.339 179.805 177.584 -0.196 0.000 1.186 124 A CA 1.665 53.647 52.037 -0.091 0.000 0.624 124 A CB -0.977 18.037 19.000 0.024 0.000 0.822 124 A HN 0.344 nan 8.150 nan 0.000 0.444 125 V N -0.033 119.745 119.914 -0.226 0.000 2.295 125 V HA -0.256 3.855 4.120 -0.015 0.000 0.246 125 V C 2.651 178.669 176.094 -0.126 0.000 1.049 125 V CA 2.410 64.594 62.300 -0.193 0.000 1.024 125 V CB -0.817 30.904 31.823 -0.168 0.000 0.648 125 V HN 0.656 nan 8.190 nan 0.000 0.447 126 R N 0.728 121.170 120.500 -0.097 0.000 2.152 126 R HA -0.072 4.259 4.340 -0.015 0.000 0.232 126 R C 1.860 178.112 176.300 -0.078 0.000 1.117 126 R CA 1.573 57.627 56.100 -0.076 0.000 0.981 126 R CB -0.478 29.783 30.300 -0.065 0.000 0.870 126 R HN 0.499 nan 8.270 nan 0.000 0.451 127 A N -0.820 121.941 122.820 -0.100 0.000 2.238 127 A HA 0.106 4.416 4.320 -0.015 0.000 0.210 127 A C 0.778 178.283 177.584 -0.131 0.000 1.179 127 A CA 0.831 52.806 52.037 -0.103 0.000 0.827 127 A CB -0.261 18.668 19.000 -0.119 0.000 0.856 127 A HN 0.570 nan 8.150 nan 0.000 0.488 128 T N -3.186 111.278 114.554 -0.149 0.000 4.712 128 T HA -0.185 4.156 4.350 -0.015 0.000 0.304 128 T C -0.024 174.534 174.700 -0.236 0.000 1.250 128 T CA 1.087 63.093 62.100 -0.157 0.000 2.371 128 T CB -2.829 65.978 68.868 -0.102 0.000 1.829 128 T HN 0.365 nan 8.240 nan 0.000 0.953 129 L N 1.776 122.799 121.223 -0.334 0.000 2.418 129 L HA 0.520 4.851 4.340 -0.015 0.000 0.265 129 L C -1.337 175.245 176.870 -0.479 0.000 1.143 129 L CA -2.555 51.957 54.840 -0.546 0.000 0.809 129 L CB 0.599 42.093 42.059 -0.940 0.000 1.124 129 L HN 0.098 nan 8.230 nan 0.000 0.456 130 P HA 0.009 nan 4.420 nan 0.000 0.266 130 P C -0.557 176.780 177.300 0.062 0.000 1.195 130 P CA -0.147 62.633 63.100 -0.533 0.000 0.768 130 P CB 0.666 31.403 31.700 -1.606 0.000 0.838 131 V N 1.408 121.309 119.914 -0.022 0.000 3.003 131 V HA 0.630 4.741 4.120 -0.015 0.000 0.305 131 V C 0.021 176.247 176.094 0.220 0.000 1.078 131 V CA -0.220 61.986 62.300 -0.156 0.000 1.083 131 V CB -0.153 31.506 31.823 -0.273 0.000 1.039 131 V HN 0.555 nan 8.190 nan 0.000 0.481 132 F N -0.718 119.326 119.950 0.156 0.000 2.643 132 F HA 0.645 5.163 4.527 -0.014 0.000 0.314 132 F C -0.621 175.120 175.800 -0.098 0.000 1.096 132 F CA -1.446 56.470 58.000 -0.140 0.000 0.953 132 F CB 1.198 39.939 39.000 -0.431 0.000 1.345 132 F HN 0.525 nan 8.300 nan 0.000 0.468 133 D N 1.857 122.161 120.400 -0.160 0.000 2.344 133 D HA 0.143 4.774 4.640 -0.015 0.000 0.253 133 D C 0.756 177.059 176.300 0.005 0.000 1.255 133 D CA 0.195 54.115 54.000 -0.134 0.000 0.894 133 D CB 1.194 41.863 40.800 -0.219 0.000 1.067 133 D HN 0.680 nan 8.370 nan 0.000 0.492 134 K N 2.511 122.920 120.400 0.015 0.000 2.089 134 K HA -0.225 4.086 4.320 -0.015 0.000 0.210 134 K C 1.554 178.180 176.600 0.044 0.000 1.048 134 K CA 1.471 57.825 56.287 0.111 0.000 0.926 134 K CB 0.202 32.670 32.500 -0.054 0.000 0.714 134 K HN 0.547 nan 8.250 nan 0.000 0.448 135 E N 0.185 120.365 120.200 -0.032 0.000 2.106 135 E HA -0.157 4.184 4.350 -0.015 0.000 0.192 135 E C 1.979 178.557 176.600 -0.036 0.000 0.984 135 E CA 0.735 57.113 56.400 -0.038 0.000 0.806 135 E CB 0.149 29.816 29.700 -0.055 0.000 0.750 135 E HN 0.264 nan 8.360 nan 0.000 0.458 136 E N 0.830 120.987 120.200 -0.073 0.000 2.072 136 E HA -0.141 4.200 4.350 -0.015 0.000 0.191 136 E C 2.229 178.837 176.600 0.013 0.000 0.985 136 E CA 0.435 56.787 56.400 -0.080 0.000 0.801 136 E CB -0.220 29.331 29.700 -0.249 0.000 0.750 136 E HN 0.292 nan 8.360 nan 0.000 0.452 137 L N 0.678 121.907 121.223 0.011 0.000 2.017 137 L HA -0.181 4.150 4.340 -0.015 0.000 0.208 137 L C 2.522 179.391 176.870 -0.001 0.000 1.073 137 L CA 0.845 55.716 54.840 0.051 0.000 0.745 137 L CB -0.204 41.800 42.059 -0.092 0.000 0.894 137 L HN 0.154 nan 8.230 nan 0.000 0.432 138 L N 0.381 121.604 121.223 0.000 0.000 2.042 138 L HA -0.255 4.076 4.340 -0.015 0.000 0.210 138 L C 2.408 179.272 176.870 -0.010 0.000 1.076 138 L CA 2.041 56.875 54.840 -0.010 0.000 0.749 138 L CB -0.629 41.426 42.059 -0.007 0.000 0.893 138 L HN 0.263 nan 8.230 nan 0.000 0.432 139 E N -0.965 119.233 120.200 -0.004 0.000 2.110 139 E HA -0.195 4.145 4.350 -0.015 0.000 0.193 139 E C 2.189 178.787 176.600 -0.004 0.000 0.988 139 E CA 1.754 58.152 56.400 -0.003 0.000 0.804 139 E CB -0.647 29.052 29.700 -0.002 0.000 0.745 139 E HN 0.621 nan 8.360 nan 0.000 0.458 140 C N -0.194 119.108 119.300 0.003 0.000 2.440 140 C HA 0.045 4.495 4.460 -0.015 0.000 0.278 140 C C 2.616 177.584 174.990 -0.036 0.000 1.295 140 C CA 0.400 59.407 59.018 -0.017 0.000 1.738 140 C CB -0.920 26.806 27.740 -0.024 0.000 1.987 140 C HN 0.461 nan 8.230 nan 0.000 0.492 141 I N 0.537 121.083 120.570 -0.041 0.000 2.252 141 I HA -0.245 3.916 4.170 -0.015 0.000 0.245 141 I C 2.728 178.829 176.117 -0.026 0.000 1.102 141 I CA 1.419 62.692 61.300 -0.046 0.000 1.385 141 I CB -0.611 37.355 38.000 -0.057 0.000 1.064 141 I HN 0.451 nan 8.210 nan 0.000 0.414 142 Q N 0.343 120.133 119.800 -0.015 0.000 2.096 142 Q HA -0.259 4.072 4.340 -0.015 0.000 0.204 142 Q C 2.204 178.204 176.000 0.001 0.000 0.982 142 Q CA 1.298 57.099 55.803 -0.003 0.000 0.850 142 Q CB -0.282 28.456 28.738 0.001 0.000 0.901 142 Q HN 0.559 nan 8.270 nan 0.000 0.422 143 Q N 0.329 120.125 119.800 -0.007 0.000 2.167 143 Q HA -0.094 4.237 4.340 -0.015 0.000 0.202 143 Q C 2.149 178.144 176.000 -0.007 0.000 0.970 143 Q CA 0.674 56.472 55.803 -0.008 0.000 0.855 143 Q CB -0.249 28.479 28.738 -0.018 0.000 0.911 143 Q HN 0.276 nan 8.270 nan 0.000 0.438 144 L N -0.058 121.158 121.223 -0.011 0.000 2.044 144 L HA -0.089 4.242 4.340 -0.015 0.000 0.205 144 L C 2.134 179.021 176.870 0.028 0.000 1.075 144 L CA 1.256 56.096 54.840 -0.000 0.000 0.747 144 L CB -0.558 41.495 42.059 -0.011 0.000 0.903 144 L HN -0.090 nan 8.230 nan 0.000 0.435 145 V N -0.041 119.884 119.914 0.019 0.000 2.407 145 V HA -0.295 3.815 4.120 -0.015 0.000 0.248 145 V C 2.652 178.784 176.094 0.063 0.000 1.055 145 V CA 2.033 64.355 62.300 0.035 0.000 1.049 145 V CB -0.746 31.087 31.823 0.016 0.000 0.662 145 V HN 0.508 nan 8.190 nan 0.000 0.455 146 K N -0.289 120.139 120.400 0.047 0.000 2.057 146 K HA -0.207 4.104 4.320 -0.015 0.000 0.207 146 K C 2.142 178.788 176.600 0.077 0.000 1.049 146 K CA 1.567 57.886 56.287 0.054 0.000 0.931 146 K CB -0.224 32.296 32.500 0.033 0.000 0.714 146 K HN 0.324 nan 8.250 nan 0.000 0.440 147 L N 1.449 122.715 121.223 0.073 0.000 2.017 147 L HA -0.136 4.195 4.340 -0.015 0.000 0.208 147 L C 0.669 177.666 176.870 0.212 0.000 1.073 147 L CA 1.958 56.858 54.840 0.100 0.000 0.745 147 L CB -0.234 41.839 42.059 0.024 0.000 0.894 147 L HN 0.118 nan 8.230 nan 0.000 0.432 148 D N -0.977 119.568 120.400 0.240 0.000 2.561 148 D HA 0.013 4.644 4.640 -0.015 0.000 0.232 148 D C 1.776 178.292 176.300 0.359 0.000 1.198 148 D CA 0.227 54.448 54.000 0.369 0.000 0.826 148 D CB 0.165 41.082 40.800 0.196 0.000 0.992 148 D HN 0.614 nan 8.370 nan 0.000 0.490 149 Q N 0.080 120.012 119.800 0.219 0.000 2.234 149 Q HA -0.153 4.178 4.340 -0.015 0.000 0.206 149 Q C 0.952 177.033 176.000 0.135 0.000 0.980 149 Q CA 0.998 56.892 55.803 0.150 0.000 0.869 149 Q CB -0.025 28.770 28.738 0.096 0.000 0.912 149 Q HN 0.000 nan 8.270 nan 0.000 0.436 150 E N 0.181 120.471 120.200 0.150 0.000 2.409 150 E HA -0.133 4.208 4.350 -0.015 0.000 0.198 150 E C 0.906 177.506 176.600 0.001 0.000 1.024 150 E CA 0.616 57.061 56.400 0.075 0.000 0.861 150 E CB -0.170 29.543 29.700 0.021 0.000 0.788 150 E HN 0.604 nan 8.360 nan 0.000 0.521 151 W N 0.543 121.862 121.300 0.030 0.000 2.584 151 W HA -0.005 4.627 4.660 -0.047 0.000 0.264 151 W C 0.631 177.132 176.519 -0.030 0.000 1.264 151 W CA 0.058 57.411 57.345 0.013 0.000 1.306 151 W CB 0.064 29.528 29.460 0.008 0.000 1.110 151 W HN -0.290 nan 8.180 nan 0.000 0.606 152 V N 5.273 125.257 119.914 0.117 0.000 2.409 152 V HA -0.013 4.098 4.120 -0.015 0.000 0.270 152 V C -1.412 174.610 176.094 -0.120 0.000 1.019 152 V CA -1.417 60.881 62.300 -0.004 0.000 1.066 152 V CB -0.913 30.882 31.823 -0.046 0.000 1.021 152 V HN -0.194 nan 8.190 nan 0.000 0.476 153 P HA -0.104 nan 4.420 nan 0.000 0.263 153 P C -0.673 176.577 177.300 -0.083 0.000 1.175 153 P CA 0.305 63.402 63.100 -0.005 0.000 0.761 153 P CB 0.290 32.030 31.700 0.068 0.000 0.794 154 Y N 1.541 121.870 120.300 0.049 0.000 2.735 154 Y HA 0.205 4.744 4.550 -0.020 0.000 0.354 154 Y C 0.730 176.645 175.900 0.025 0.000 1.288 154 Y CA 0.567 58.691 58.100 0.042 0.000 1.836 154 Y CB -0.141 38.327 38.460 0.013 0.000 1.920 154 Y HN 0.244 nan 8.280 nan 0.000 0.438 155 S N -1.051 114.709 115.700 0.100 0.000 2.550 155 S HA 0.227 4.688 4.470 -0.015 0.000 0.270 155 S C 0.586 175.131 174.600 -0.093 0.000 1.145 155 S CA -0.836 57.380 58.200 0.026 0.000 0.852 155 S CB 1.555 64.781 63.200 0.042 0.000 1.119 155 S HN 0.439 nan 8.310 nan 0.000 0.465 156 T N -2.132 112.250 114.554 -0.287 0.000 3.145 156 T HA 0.173 4.514 4.350 -0.015 0.000 0.255 156 T C 0.868 175.203 174.700 -0.609 0.000 1.039 156 T CA 0.390 61.980 62.100 -0.850 0.000 0.928 156 T CB -0.298 68.193 68.868 -0.628 0.000 1.029 156 T HN 0.565 nan 8.240 nan 0.000 0.554 157 S N -0.478 115.124 115.700 -0.164 0.000 2.937 157 S HA 0.752 5.212 4.470 -0.015 0.000 0.252 157 S C 0.218 174.892 174.600 0.124 0.000 1.022 157 S CA -0.263 57.944 58.200 0.011 0.000 1.079 157 S CB 0.337 63.524 63.200 -0.022 0.000 1.035 157 S HN 0.727 nan 8.310 nan 0.000 0.594 158 A N 1.234 124.165 122.820 0.184 0.000 2.527 158 A HA 0.965 5.276 4.320 -0.015 0.000 0.293 158 A C -0.268 177.440 177.584 0.205 0.000 1.117 158 A CA -0.340 51.798 52.037 0.168 0.000 0.723 158 A CB 1.611 20.675 19.000 0.106 0.000 1.313 158 A HN 1.111 nan 8.150 nan 0.000 0.411 159 S N -0.685 115.058 115.700 0.072 0.000 2.672 159 S HA 0.689 5.150 4.470 -0.015 0.000 0.271 159 S C -1.768 172.784 174.600 -0.079 0.000 1.171 159 S CA -0.573 57.573 58.200 -0.090 0.000 0.817 159 S CB 0.930 63.870 63.200 -0.434 0.000 1.150 159 S HN 1.708 nan 8.310 nan 0.000 0.478 160 L N 2.174 123.306 121.223 -0.152 0.000 2.276 160 L HA 0.571 4.902 4.340 -0.015 0.000 0.286 160 L C -1.147 175.685 176.870 -0.063 0.000 1.024 160 L CA -0.580 54.222 54.840 -0.062 0.000 0.826 160 L CB 0.582 42.620 42.059 -0.035 0.000 1.211 160 L HN 0.792 nan 8.230 nan 0.000 0.422 161 Y N 5.592 125.806 120.300 -0.143 0.000 2.359 161 Y HA 0.511 5.060 4.550 -0.001 0.000 0.330 161 Y C -0.312 175.537 175.900 -0.085 0.000 1.143 161 Y CA -0.236 57.799 58.100 -0.109 0.000 1.318 161 Y CB 0.628 39.008 38.460 -0.134 0.000 1.234 161 Y HN 0.522 nan 8.280 nan 0.000 0.522 162 I N 7.241 127.475 120.570 -0.560 0.000 2.362 162 I HA 0.331 4.492 4.170 -0.015 0.000 0.289 162 I C -0.574 175.211 176.117 -0.554 0.000 0.994 162 I CA -0.933 60.126 61.300 -0.403 0.000 1.158 162 I CB 1.430 39.279 38.000 -0.252 0.000 1.315 162 I HN 0.422 nan 8.210 nan 0.000 0.451 163 R N 8.596 128.926 120.500 -0.284 0.000 2.396 163 R HA 0.472 4.803 4.340 -0.015 0.000 0.292 163 R C -2.838 173.378 176.300 -0.141 0.000 1.240 163 R CA -2.354 53.647 56.100 -0.164 0.000 1.270 163 R CB 0.406 30.730 30.300 0.039 0.000 1.108 163 R HN 0.170 nan 8.270 nan 0.000 0.573 164 P HA 0.231 nan 4.420 nan 0.000 0.276 164 P C -1.082 176.085 177.300 -0.221 0.000 1.235 164 P CA 0.024 62.999 63.100 -0.209 0.000 0.772 164 P CB 1.436 33.035 31.700 -0.168 0.000 0.871 165 T N 3.354 117.624 114.554 -0.474 0.000 2.886 165 T HA 0.538 4.879 4.350 -0.015 0.000 0.292 165 T C -1.252 173.257 174.700 -0.318 0.000 1.012 165 T CA -0.207 61.596 62.100 -0.496 0.000 0.982 165 T CB 0.784 68.983 68.868 -1.115 0.000 1.018 165 T HN 0.075 nan 8.240 nan 0.000 0.451 166 F N 4.740 124.601 119.950 -0.148 0.000 2.553 166 F HA 0.632 5.149 4.527 -0.016 0.000 0.335 166 F C -0.828 175.027 175.800 0.091 0.000 1.148 166 F CA -2.372 55.633 58.000 0.008 0.000 0.963 166 F CB 0.548 39.580 39.000 0.054 0.000 1.217 166 F HN 0.562 nan 8.300 nan 0.000 0.441 167 I N 1.919 122.759 120.570 0.451 0.000 2.646 167 I HA 0.860 5.020 4.170 -0.015 0.000 0.299 167 I C 0.150 176.375 176.117 0.180 0.000 1.036 167 I CA -1.120 60.333 61.300 0.255 0.000 1.074 167 I CB 2.085 40.268 38.000 0.305 0.000 1.258 167 I HN 0.599 nan 8.210 nan 0.000 0.430 168 G N 2.068 110.920 108.800 0.087 0.000 2.370 168 G HA2 0.454 4.405 3.960 -0.015 0.000 0.272 168 G HA3 0.454 4.405 3.960 -0.015 0.000 0.272 168 G C 0.373 175.349 174.900 0.126 0.000 1.208 168 G CA -0.183 44.964 45.100 0.079 0.000 0.856 168 G HN 0.871 nan 8.290 nan 0.000 0.500 169 T N -0.857 113.779 114.554 0.137 0.000 3.293 169 T HA 0.228 4.569 4.350 -0.015 0.000 0.276 169 T C 0.332 175.080 174.700 0.081 0.000 1.003 169 T CA -0.539 61.634 62.100 0.121 0.000 0.916 169 T CB 0.405 69.350 68.868 0.129 0.000 1.134 169 T HN 0.485 nan 8.240 nan 0.000 0.530 170 E N 2.823 123.069 120.200 0.077 0.000 2.585 170 E HA 0.107 4.448 4.350 -0.015 0.000 0.252 170 E C -1.777 174.804 176.600 -0.032 0.000 0.981 170 E CA -1.747 54.673 56.400 0.033 0.000 0.943 170 E CB 0.822 30.560 29.700 0.063 0.000 0.923 170 E HN 0.137 nan 8.360 nan 0.000 0.486 171 P HA -0.055 nan 4.420 nan 0.000 0.220 171 P C -0.422 176.717 177.300 -0.270 0.000 1.152 171 P CA 0.842 63.707 63.100 -0.391 0.000 0.812 171 P CB 0.180 31.564 31.700 -0.528 0.000 0.792 172 S N -0.605 115.015 115.700 -0.133 0.000 2.601 172 S HA 0.189 4.650 4.470 -0.015 0.000 0.271 172 S C 0.997 175.580 174.600 -0.028 0.000 1.305 172 S CA -0.487 57.669 58.200 -0.073 0.000 1.022 172 S CB 0.207 63.381 63.200 -0.044 0.000 0.940 172 S HN -0.044 nan 8.310 nan 0.000 0.525 173 L N 1.491 122.700 121.223 -0.024 0.000 2.554 173 L HA 0.235 4.566 4.340 -0.015 0.000 0.226 173 L C 1.631 178.583 176.870 0.138 0.000 1.137 173 L CA 0.006 54.858 54.840 0.019 0.000 0.863 173 L CB -1.191 40.844 42.059 -0.040 0.000 0.985 173 L HN 0.903 nan 8.230 nan 0.000 0.451 174 G N 0.446 109.278 108.800 0.054 0.000 2.432 174 G HA2 0.272 4.222 3.960 -0.015 0.000 0.239 174 G HA3 0.272 4.222 3.960 -0.015 0.000 0.239 174 G C -0.149 174.726 174.900 -0.042 0.000 1.291 174 G CA -0.330 44.772 45.100 0.003 0.000 0.863 174 G HN -0.080 nan 8.290 nan 0.000 0.560 175 V N 4.916 124.714 119.914 -0.193 0.000 2.352 175 V HA 0.325 4.436 4.120 -0.015 0.000 0.253 175 V C 0.327 176.316 176.094 -0.175 0.000 1.083 175 V CA 0.007 62.087 62.300 -0.365 0.000 0.993 175 V CB -0.483 31.023 31.823 -0.529 0.000 1.111 175 V HN 0.942 nan 8.190 nan 0.000 0.490 176 K N 4.002 124.346 120.400 -0.094 0.000 2.556 176 K HA 0.406 4.717 4.320 -0.015 0.000 0.289 176 K C -0.758 175.831 176.600 -0.018 0.000 1.040 176 K CA -1.153 55.103 56.287 -0.051 0.000 0.894 176 K CB 1.252 33.731 32.500 -0.035 0.000 1.547 176 K HN 0.190 nan 8.250 nan 0.000 0.417 177 K N 2.374 122.764 120.400 -0.016 0.000 2.472 177 K HA 0.108 4.419 4.320 -0.015 0.000 0.280 177 K C -1.850 174.765 176.600 0.024 0.000 1.028 177 K CA -0.986 55.296 56.287 -0.010 0.000 1.045 177 K CB 0.087 32.580 32.500 -0.011 0.000 0.902 177 K HN 0.350 nan 8.250 nan 0.000 0.478 178 P HA -0.025 nan 4.420 nan 0.000 0.268 178 P C -0.036 177.383 177.300 0.199 0.000 1.205 178 P CA -0.036 63.117 63.100 0.090 0.000 0.771 178 P CB 1.044 32.786 31.700 0.070 0.000 0.858 179 T N -1.213 113.444 114.554 0.172 0.000 3.054 179 T HA 0.220 4.560 4.350 -0.015 0.000 0.255 179 T C 0.389 175.133 174.700 0.073 0.000 1.035 179 T CA -0.043 62.140 62.100 0.139 0.000 0.941 179 T CB 0.169 69.029 68.868 -0.014 0.000 1.026 179 T HN 0.439 nan 8.240 nan 0.000 0.533 180 K N 0.222 120.752 120.400 0.217 0.000 2.523 180 K HA 0.704 5.014 4.320 -0.015 0.000 0.257 180 K C -1.899 174.885 176.600 0.306 0.000 0.932 180 K CA -0.684 55.714 56.287 0.186 0.000 0.812 180 K CB 2.129 34.663 32.500 0.058 0.000 1.326 180 K HN 0.206 nan 8.250 nan 0.000 0.433 181 A N 2.504 125.550 122.820 0.378 0.000 2.599 181 A HA 0.778 5.089 4.320 -0.015 0.000 0.290 181 A C -2.253 175.545 177.584 0.357 0.000 1.101 181 A CA -0.721 51.512 52.037 0.326 0.000 0.674 181 A CB 1.612 20.766 19.000 0.257 0.000 1.277 181 A HN 0.555 nan 8.150 nan 0.000 0.419 182 L N 0.347 121.824 121.223 0.422 0.000 2.455 182 L HA 0.821 5.152 4.340 -0.015 0.000 0.264 182 L C -1.986 175.207 176.870 0.538 0.000 0.968 182 L CA -0.538 54.556 54.840 0.425 0.000 0.827 182 L CB 1.960 44.210 42.059 0.318 0.000 1.317 182 L HN 0.852 nan 8.230 nan 0.000 0.407 183 L N 6.000 127.442 121.223 0.365 0.000 2.356 183 L HA 0.807 5.138 4.340 -0.015 0.000 0.277 183 L C -1.366 175.566 176.870 0.103 0.000 0.996 183 L CA -0.453 54.408 54.840 0.034 0.000 0.822 183 L CB 1.123 42.925 42.059 -0.428 0.000 1.256 183 L HN 0.593 nan 8.230 nan 0.000 0.413 184 F N 3.601 123.501 119.950 -0.084 0.000 2.643 184 F HA 0.915 5.430 4.527 -0.020 0.000 0.314 184 F C -1.442 174.304 175.800 -0.089 0.000 1.096 184 F CA -1.181 56.766 58.000 -0.088 0.000 0.953 184 F CB 1.647 40.620 39.000 -0.044 0.000 1.345 184 F HN 0.141 nan 8.300 nan 0.000 0.468 185 V N 3.025 122.961 119.914 0.036 0.000 2.577 185 V HA 0.528 4.639 4.120 -0.015 0.000 0.303 185 V C -0.528 175.598 176.094 0.052 0.000 1.042 185 V CA -0.685 61.581 62.300 -0.057 0.000 0.872 185 V CB 1.612 33.378 31.823 -0.095 0.000 0.998 185 V HN 0.779 nan 8.190 nan 0.000 0.423 186 L N 4.925 126.178 121.223 0.050 0.000 2.330 186 L HA 0.679 5.009 4.340 -0.015 0.000 0.271 186 L C -0.786 176.122 176.870 0.064 0.000 1.013 186 L CA -0.665 54.236 54.840 0.103 0.000 0.816 186 L CB 1.999 44.170 42.059 0.187 0.000 1.287 186 L HN 0.382 nan 8.230 nan 0.000 0.435 187 L N 1.461 122.718 121.223 0.057 0.000 2.346 187 L HA 0.577 4.908 4.340 -0.015 0.000 0.276 187 L C -0.324 176.517 176.870 -0.049 0.000 1.006 187 L CA -0.307 54.514 54.840 -0.030 0.000 0.817 187 L CB 1.980 43.973 42.059 -0.110 0.000 1.272 187 L HN 0.562 nan 8.230 nan 0.000 0.421 188 S N 4.352 119.996 115.700 -0.094 0.000 2.750 188 S HA 0.500 4.961 4.470 -0.015 0.000 0.276 188 S C -2.756 171.756 174.600 -0.147 0.000 1.165 188 S CA -1.157 56.891 58.200 -0.253 0.000 1.047 188 S CB 1.779 64.698 63.200 -0.468 0.000 1.056 188 S HN 0.298 nan 8.310 nan 0.000 0.481 189 P HA 0.299 nan 4.420 nan 0.000 0.271 189 P C -0.477 176.796 177.300 -0.045 0.000 1.216 189 P CA -0.211 62.902 63.100 0.021 0.000 0.771 189 P CB 0.949 32.752 31.700 0.171 0.000 0.864 190 V N 0.046 119.956 119.914 -0.008 0.000 3.049 190 V HA 0.853 4.964 4.120 -0.015 0.000 0.309 190 V C 0.294 176.438 176.094 0.083 0.000 1.148 190 V CA -0.409 61.899 62.300 0.013 0.000 0.990 190 V CB 1.561 33.393 31.823 0.016 0.000 1.039 190 V HN 0.634 nan 8.190 nan 0.000 0.430 191 G N 1.667 110.530 108.800 0.105 0.000 3.226 191 G HA2 0.630 4.581 3.960 -0.015 0.000 0.190 191 G HA3 0.630 4.581 3.960 -0.015 0.000 0.190 191 G C -1.847 173.143 174.900 0.149 0.000 1.988 191 G CA 0.143 45.309 45.100 0.111 0.000 0.859 191 G HN 0.790 nan 8.290 nan 0.000 0.631 192 P HA 0.379 nan 4.420 nan 0.000 0.344 192 P C -1.387 176.056 177.300 0.237 0.000 1.321 192 P CA -0.259 62.939 63.100 0.163 0.000 0.773 192 P CB 1.228 32.998 31.700 0.117 0.000 1.723 200 N N 5.660 124.518 118.700 0.263 0.000 2.817 200 N HA 0.319 5.050 4.740 -0.015 0.000 0.234 200 N C -2.513 173.075 175.510 0.129 0.000 1.066 200 N CA -1.574 51.569 53.050 0.155 0.000 0.926 200 N CB 1.092 39.648 38.487 0.115 0.000 1.176 200 N HN 0.124 nan 8.380 nan 0.000 0.506 201 P HA -0.065 nan 4.420 nan 0.000 0.265 201 P C -0.141 177.196 177.300 0.061 0.000 1.187 201 P CA -0.017 63.118 63.100 0.059 0.000 0.766 201 P CB 0.994 32.721 31.700 0.045 0.000 0.820 202 V N -0.135 119.811 119.914 0.054 0.000 2.881 202 V HA 0.741 4.852 4.120 -0.015 0.000 0.316 202 V C -0.007 176.114 176.094 0.045 0.000 1.070 202 V CA -0.904 61.428 62.300 0.054 0.000 0.976 202 V CB 1.588 33.450 31.823 0.066 0.000 1.038 202 V HN 0.695 nan 8.190 nan 0.000 0.446 203 S N 3.710 119.441 115.700 0.051 0.000 2.475 203 S HA 0.805 5.265 4.470 -0.015 0.000 0.298 203 S C -0.660 173.979 174.600 0.066 0.000 1.119 203 S CA -0.793 57.442 58.200 0.057 0.000 1.085 203 S CB 1.119 64.363 63.200 0.073 0.000 1.028 203 S HN 0.802 nan 8.310 nan 0.000 0.489 204 L N 1.897 123.155 121.223 0.059 0.000 2.331 204 L HA 0.569 4.900 4.340 -0.015 0.000 0.275 204 L C -0.965 175.980 176.870 0.124 0.000 1.022 204 L CA -0.796 54.083 54.840 0.063 0.000 0.812 204 L CB 1.234 43.295 42.059 0.003 0.000 1.257 204 L HN 0.776 nan 8.230 nan 0.000 0.435 205 W N 2.335 123.584 121.300 -0.086 0.000 2.294 205 W HA 0.613 5.264 4.660 -0.015 0.000 0.314 205 W C -0.459 176.006 176.519 -0.091 0.000 1.044 205 W CA -0.640 56.662 57.345 -0.072 0.000 1.284 205 W CB 1.474 30.881 29.460 -0.088 0.000 1.231 205 W HN 0.441 nan 8.180 nan 0.000 0.419 206 A N 5.389 127.974 122.820 -0.392 0.000 2.322 206 A HA 0.401 4.712 4.320 -0.015 0.000 0.327 206 A C -0.830 176.494 177.584 -0.433 0.000 1.394 206 A CA -0.529 51.338 52.037 -0.284 0.000 0.921 206 A CB 0.237 19.172 19.000 -0.109 0.000 1.153 206 A HN 0.498 nan 8.150 nan 0.000 0.523 207 N N 4.207 122.683 118.700 -0.374 0.000 2.573 207 N HA 0.325 5.056 4.740 -0.015 0.000 0.262 207 N C -1.889 173.604 175.510 -0.028 0.000 1.029 207 N CA -2.093 50.765 53.050 -0.319 0.000 0.882 207 N CB 1.979 40.254 38.487 -0.354 0.000 1.204 207 N HN 0.252 nan 8.380 nan 0.000 0.519 208 P HA -0.196 nan 4.420 nan 0.000 0.222 208 P C 0.961 178.297 177.300 0.060 0.000 1.142 208 P CA 0.888 64.034 63.100 0.078 0.000 0.788 208 P CB 0.578 32.318 31.700 0.067 0.000 0.767 209 K N -0.787 119.579 120.400 -0.057 0.000 2.211 209 K HA -0.128 4.183 4.320 -0.015 0.000 0.204 209 K C 0.218 176.653 176.600 -0.275 0.000 1.047 209 K CA 0.858 57.013 56.287 -0.219 0.000 0.935 209 K CB -0.182 32.085 32.500 -0.388 0.000 0.728 209 K HN 0.179 nan 8.250 nan 0.000 0.452 210 Y N -0.436 120.006 120.300 0.236 0.000 2.420 210 Y HA 0.386 4.929 4.550 -0.013 0.000 0.334 210 Y C -0.456 175.726 175.900 0.469 0.000 1.094 210 Y CA -1.237 57.080 58.100 0.361 0.000 1.126 210 Y CB 1.957 40.701 38.460 0.474 0.000 1.217 210 Y HN -0.378 nan 8.280 nan 0.000 0.462 211 V N 3.691 123.968 119.914 0.605 0.000 2.483 211 V HA 0.338 4.449 4.120 -0.015 0.000 0.297 211 V C 0.675 176.963 176.094 0.323 0.000 1.027 211 V CA -0.994 61.620 62.300 0.523 0.000 0.855 211 V CB 1.560 33.638 31.823 0.426 0.000 0.995 211 V HN 0.889 nan 8.190 nan 0.000 0.424 212 R N 2.994 123.493 120.500 -0.003 0.000 2.066 212 R HA 0.210 4.541 4.340 -0.015 0.000 0.232 212 R C 0.604 176.732 176.300 -0.288 0.000 1.131 212 R CA 1.633 57.325 56.100 -0.679 0.000 0.955 212 R CB 0.210 29.739 30.300 -1.286 0.000 0.851 212 R HN 0.863 nan 8.270 nan 0.000 0.432 213 A N -1.057 121.686 122.820 -0.127 0.000 2.609 213 A HA 0.525 4.836 4.320 -0.015 0.000 0.291 213 A C -2.033 175.523 177.584 -0.047 0.000 1.096 213 A CA -0.748 51.117 52.037 -0.287 0.000 0.684 213 A CB 0.658 19.366 19.000 -0.486 0.000 1.282 213 A HN 0.416 nan 8.150 nan 0.000 0.412 214 W N 0.337 121.573 121.300 -0.107 0.000 3.031 214 W HA 0.739 5.390 4.660 -0.015 0.000 0.337 214 W C -0.695 175.774 176.519 -0.083 0.000 1.187 214 W CA -1.022 56.295 57.345 -0.047 0.000 1.166 214 W CB 0.879 30.439 29.460 0.167 0.000 1.437 214 W HN 0.484 nan 8.180 nan 0.000 0.551 215 K N 1.568 122.062 120.400 0.156 0.000 2.484 215 K HA 0.343 4.654 4.320 -0.015 0.000 0.280 215 K C 0.911 177.613 176.600 0.170 0.000 1.013 215 K CA 1.246 57.585 56.287 0.087 0.000 1.029 215 K CB 0.385 32.980 32.500 0.158 0.000 0.902 215 K HN 1.212 nan 8.250 nan 0.000 0.481 216 G N 1.764 110.591 108.800 0.045 0.000 2.175 216 G HA2 -0.225 3.726 3.960 -0.015 0.000 0.244 216 G HA3 -0.225 3.726 3.960 -0.015 0.000 0.244 216 G C 0.536 175.443 174.900 0.012 0.000 0.982 216 G CA 0.100 45.250 45.100 0.083 0.000 0.641 216 G HN 0.860 nan 8.290 nan 0.000 0.527 217 G N -1.525 107.113 108.800 -0.271 0.000 2.736 217 G HA2 0.549 4.500 3.960 -0.015 0.000 0.229 217 G HA3 0.549 4.500 3.960 -0.015 0.000 0.229 217 G C 0.621 175.272 174.900 -0.415 0.000 1.380 217 G CA 1.008 45.755 45.100 -0.589 0.000 1.040 217 G HN 0.845 nan 8.290 nan 0.000 0.568 218 T N -1.291 112.968 114.554 -0.491 0.000 3.288 218 T HA 0.290 4.631 4.350 -0.015 0.000 0.293 218 T C 1.782 176.288 174.700 -0.323 0.000 1.008 218 T CA 0.847 62.763 62.100 -0.307 0.000 0.929 218 T CB -0.527 68.220 68.868 -0.203 0.000 1.152 218 T HN 0.617 nan 8.240 nan 0.000 0.517 219 G N 1.683 110.221 108.800 -0.436 0.000 2.586 219 G HA2 -0.127 3.824 3.960 -0.015 0.000 0.215 219 G HA3 -0.127 3.824 3.960 -0.015 0.000 0.215 219 G C 0.951 175.697 174.900 -0.258 0.000 1.128 219 G CA 0.933 45.802 45.100 -0.384 0.000 0.774 219 G HN 0.682 nan 8.290 nan 0.000 0.543 220 D N -0.797 119.476 120.400 -0.211 0.000 2.427 220 D HA 0.168 4.799 4.640 -0.015 0.000 0.224 220 D C 0.214 176.446 176.300 -0.113 0.000 1.157 220 D CA -0.601 53.311 54.000 -0.147 0.000 0.828 220 D CB -0.697 40.025 40.800 -0.131 0.000 0.974 220 D HN 0.078 nan 8.370 nan 0.000 0.498 221 C N -0.180 119.052 119.300 -0.114 0.000 2.898 221 C HA 0.433 4.884 4.460 -0.015 0.000 0.304 221 C C 0.462 175.412 174.990 -0.067 0.000 1.237 221 C CA -1.031 57.934 59.018 -0.087 0.000 1.529 221 C CB 2.119 29.812 27.740 -0.078 0.000 2.021 221 C HN 0.085 nan 8.230 nan 0.000 0.474 222 K N 1.555 121.877 120.400 -0.130 0.000 3.192 222 K HA 0.300 4.611 4.320 -0.015 0.000 0.269 222 K C -0.282 176.222 176.600 -0.160 0.000 1.270 222 K CA 0.195 56.314 56.287 -0.279 0.000 1.249 222 K CB -0.126 31.939 32.500 -0.725 0.000 1.528 222 K HN 0.597 nan 8.250 nan 0.000 0.360 223 M N -0.337 119.317 119.600 0.091 0.000 2.180 223 M HA 0.114 4.585 4.480 -0.015 0.000 0.358 223 M C 1.619 178.147 176.300 0.380 0.000 1.233 223 M CA -0.196 55.204 55.300 0.166 0.000 1.114 223 M CB 1.484 34.127 32.600 0.072 0.000 1.594 223 M HN 0.414 nan 8.290 nan 0.000 0.467 224 G N 2.296 111.325 108.800 0.382 0.000 2.547 224 G HA2 -0.277 3.674 3.960 -0.015 0.000 0.221 224 G HA3 -0.277 3.674 3.960 -0.015 0.000 0.221 224 G C 1.328 176.463 174.900 0.391 0.000 1.140 224 G CA 1.324 46.670 45.100 0.410 0.000 0.760 224 G HN 0.995 nan 8.290 nan 0.000 0.583 225 G N 1.073 110.018 108.800 0.242 0.000 2.475 225 G HA2 -0.295 3.656 3.960 -0.015 0.000 0.220 225 G HA3 -0.295 3.656 3.960 -0.015 0.000 0.220 225 G C 1.633 176.592 174.900 0.098 0.000 1.125 225 G CA 1.182 46.379 45.100 0.162 0.000 0.755 225 G HN 0.495 nan 8.290 nan 0.000 0.565 226 N N -0.244 118.463 118.700 0.012 0.000 2.453 226 N HA -0.034 4.697 4.740 -0.015 0.000 0.183 226 N C 1.389 176.598 175.510 -0.501 0.000 1.041 226 N CA 0.821 53.683 53.050 -0.314 0.000 0.900 226 N CB -0.224 37.946 38.487 -0.529 0.000 0.961 226 N HN 0.527 nan 8.380 nan 0.000 0.443 227 Y N -0.021 120.325 120.300 0.076 0.000 2.441 227 Y HA 0.292 4.834 4.550 -0.013 0.000 0.288 227 Y C 2.547 178.508 175.900 0.101 0.000 1.118 227 Y CA 0.262 58.419 58.100 0.095 0.000 1.215 227 Y CB -0.719 37.824 38.460 0.139 0.000 1.118 227 Y HN -0.022 nan 8.280 nan 0.000 0.547 228 G N -0.374 108.561 108.800 0.226 0.000 2.450 228 G HA2 -0.234 3.716 3.960 -0.015 0.000 0.220 228 G HA3 -0.234 3.716 3.960 -0.015 0.000 0.220 228 G C 1.575 176.568 174.900 0.155 0.000 1.130 228 G CA 1.468 46.672 45.100 0.173 0.000 0.760 228 G HN 0.365 nan 8.290 nan 0.000 0.557 229 S N 0.398 116.179 115.700 0.134 0.000 2.603 229 S HA 0.013 4.473 4.470 -0.015 0.000 0.220 229 S C 2.414 177.126 174.600 0.187 0.000 0.967 229 S CA 0.929 59.220 58.200 0.152 0.000 0.920 229 S CB 0.127 63.416 63.200 0.148 0.000 0.773 229 S HN 0.623 nan 8.310 nan 0.000 0.529 230 S N 1.452 117.257 115.700 0.174 0.000 2.486 230 S HA 0.196 4.656 4.470 -0.015 0.000 0.220 230 S C 1.686 176.457 174.600 0.285 0.000 1.011 230 S CA -0.083 58.292 58.200 0.292 0.000 0.921 230 S CB -0.531 62.822 63.200 0.255 0.000 0.785 230 S HN 0.398 nan 8.310 nan 0.000 0.517 231 L N -0.009 121.341 121.223 0.211 0.000 2.081 231 L HA -0.101 4.230 4.340 -0.015 0.000 0.212 231 L C 2.436 179.362 176.870 0.094 0.000 1.080 231 L CA 1.927 56.856 54.840 0.148 0.000 0.754 231 L CB -0.669 41.472 42.059 0.138 0.000 0.893 231 L HN 0.328 nan 8.230 nan 0.000 0.433 232 F N 0.492 120.440 119.950 -0.002 0.000 2.134 232 F HA -0.206 4.312 4.527 -0.014 0.000 0.299 232 F C 2.429 178.092 175.800 -0.228 0.000 1.097 232 F CA 1.349 59.301 58.000 -0.080 0.000 1.264 232 F CB -0.150 38.822 39.000 -0.046 0.000 1.001 232 F HN -0.006 nan 8.300 nan 0.000 0.479 233 A N -0.389 122.316 122.820 -0.192 0.000 1.897 233 A HA -0.200 4.110 4.320 -0.015 0.000 0.215 233 A C 2.041 179.481 177.584 -0.240 0.000 1.181 233 A CA 1.493 53.291 52.037 -0.399 0.000 0.620 233 A CB -0.936 17.875 19.000 -0.316 0.000 0.821 233 A HN 0.488 nan 8.150 nan 0.000 0.443 234 Q N -0.297 119.451 119.800 -0.087 0.000 2.096 234 Q HA -0.189 4.142 4.340 -0.015 0.000 0.204 234 Q C 1.941 177.833 176.000 -0.180 0.000 0.982 234 Q CA 2.457 58.218 55.803 -0.070 0.000 0.850 234 Q CB -1.139 27.630 28.738 0.050 0.000 0.901 234 Q HN 0.548 nan 8.270 nan 0.000 0.422 235 C N 0.433 119.592 119.300 -0.235 0.000 2.440 235 C HA -0.049 4.402 4.460 -0.015 0.000 0.278 235 C C 2.525 177.270 174.990 -0.408 0.000 1.295 235 C CA 1.028 59.875 59.018 -0.285 0.000 1.738 235 C CB -0.876 26.690 27.740 -0.291 0.000 1.987 235 C HN 0.787 nan 8.230 nan 0.000 0.492 236 E N 0.533 120.408 120.200 -0.541 0.000 2.153 236 E HA -0.152 4.189 4.350 -0.015 0.000 0.194 236 E C 2.077 178.116 176.600 -0.936 0.000 0.988 236 E CA 1.284 57.273 56.400 -0.685 0.000 0.811 236 E CB -0.110 29.203 29.700 -0.645 0.000 0.746 236 E HN 0.624 nan 8.360 nan 0.000 0.466 237 A N 0.275 122.656 122.820 -0.733 0.000 1.929 237 A HA -0.080 4.230 4.320 -0.015 0.000 0.216 237 A C 2.352 179.662 177.584 -0.456 0.000 1.176 237 A CA 1.117 52.748 52.037 -0.676 0.000 0.628 237 A CB -0.433 18.448 19.000 -0.199 0.000 0.816 237 A HN 0.223 nan 8.150 nan 0.000 0.444 238 V N 1.664 121.382 119.914 -0.328 0.000 2.358 238 V HA -0.200 3.910 4.120 -0.015 0.000 0.246 238 V C 1.743 177.702 176.094 -0.227 0.000 1.047 238 V CA 2.196 64.364 62.300 -0.221 0.000 1.035 238 V CB -0.827 30.895 31.823 -0.169 0.000 0.658 238 V HN 0.883 nan 8.190 nan 0.000 0.452 239 D N -1.554 118.678 120.400 -0.281 0.000 2.352 239 D HA -0.025 4.606 4.640 -0.015 0.000 0.236 239 D C 0.969 177.119 176.300 -0.250 0.000 1.148 239 D CA 0.216 54.080 54.000 -0.226 0.000 0.844 239 D CB -0.458 40.219 40.800 -0.206 0.000 0.933 239 D HN 0.283 nan 8.370 nan 0.000 0.507 240 N N -0.235 118.268 118.700 -0.328 0.000 2.194 240 N HA 0.175 4.905 4.740 -0.015 0.000 0.231 240 N C 0.875 176.300 175.510 -0.142 0.000 1.247 240 N CA 0.509 53.383 53.050 -0.293 0.000 0.884 240 N CB 1.216 39.314 38.487 -0.648 0.000 1.146 240 N HN 0.347 nan 8.380 nan 0.000 0.516 241 G N 0.780 109.508 108.800 -0.121 0.000 2.141 241 G HA2 -0.227 3.724 3.960 -0.015 0.000 0.242 241 G HA3 -0.227 3.724 3.960 -0.015 0.000 0.242 241 G C 0.100 174.994 174.900 -0.011 0.000 0.982 241 G CA 0.208 45.283 45.100 -0.041 0.000 0.662 241 G HN 0.352 nan 8.290 nan 0.000 0.527 242 C N -1.099 118.173 119.300 -0.048 0.000 2.771 242 C HA 0.746 5.197 4.460 -0.015 0.000 0.333 242 C C 1.193 176.167 174.990 -0.027 0.000 1.267 242 C CA -0.392 58.631 59.018 0.009 0.000 1.721 242 C CB 1.873 29.671 27.740 0.097 0.000 2.222 242 C HN 0.534 nan 8.230 nan 0.000 0.485 243 Q N -0.330 119.473 119.800 0.004 0.000 2.280 243 Q HA 0.258 4.589 4.340 -0.015 0.000 0.228 243 Q C -0.083 175.923 176.000 0.010 0.000 0.857 243 Q CA 0.497 56.295 55.803 -0.008 0.000 0.939 243 Q CB 0.503 29.244 28.738 0.004 0.000 1.114 243 Q HN 0.579 nan 8.270 nan 0.000 0.514 244 Q N -0.373 119.444 119.800 0.029 0.000 2.511 244 Q HA 0.450 4.781 4.340 -0.015 0.000 0.289 244 Q C -1.171 174.833 176.000 0.006 0.000 1.021 244 Q CA -0.683 55.144 55.803 0.039 0.000 0.785 244 Q CB 2.406 31.187 28.738 0.073 0.000 1.472 244 Q HN -0.073 nan 8.270 nan 0.000 0.411 245 V N 1.767 121.631 119.914 -0.083 0.000 2.472 245 V HA 0.324 4.435 4.120 -0.015 0.000 0.290 245 V C -0.341 175.514 176.094 -0.399 0.000 1.037 245 V CA -0.744 61.368 62.300 -0.313 0.000 0.908 245 V CB 1.428 32.789 31.823 -0.770 0.000 0.985 245 V HN 0.577 nan 8.190 nan 0.000 0.454 246 L N 5.740 126.780 121.223 -0.304 0.000 2.259 246 L HA 0.480 4.811 4.340 -0.015 0.000 0.288 246 L C -0.768 175.967 176.870 -0.225 0.000 1.051 246 L CA -0.222 54.507 54.840 -0.185 0.000 0.824 246 L CB 0.380 42.370 42.059 -0.114 0.000 1.206 246 L HN 0.637 nan 8.230 nan 0.000 0.429 247 W N 6.699 128.050 121.300 0.085 0.000 2.485 247 W HA 0.378 5.026 4.660 -0.019 0.000 0.315 247 W C -0.348 176.242 176.519 0.119 0.000 1.304 247 W CA -0.328 57.086 57.345 0.116 0.000 1.345 247 W CB 0.293 29.814 29.460 0.101 0.000 1.368 247 W HN 0.346 nan 8.180 nan 0.000 0.497 248 L N 4.202 125.645 121.223 0.366 0.000 2.334 248 L HA 0.509 4.840 4.340 -0.015 0.000 0.275 248 L C -0.691 176.419 176.870 0.400 0.000 1.036 248 L CA -1.314 53.708 54.840 0.303 0.000 0.807 248 L CB 0.941 43.136 42.059 0.227 0.000 1.231 248 L HN 0.322 nan 8.230 nan 0.000 0.438 249 Y N 1.211 121.620 120.300 0.180 0.000 2.457 249 Y HA 0.642 5.183 4.550 -0.015 0.000 0.343 249 Y C 0.250 176.185 175.900 0.058 0.000 0.994 249 Y CA 0.011 58.194 58.100 0.138 0.000 1.031 249 Y CB 2.027 40.558 38.460 0.118 0.000 1.246 249 Y HN 0.766 nan 8.280 nan 0.000 0.449 250 G N 4.169 112.520 108.800 -0.748 0.000 2.814 250 G HA2 -0.237 3.714 3.960 -0.015 0.000 0.677 250 G HA3 -0.237 3.714 3.960 -0.015 0.000 0.677 250 G C 0.568 175.237 174.900 -0.386 0.000 1.429 250 G CA 0.016 44.754 45.100 -0.604 0.000 0.868 250 G HN 1.035 nan 8.290 nan 0.000 0.553 251 E N -0.618 119.373 120.200 -0.349 0.000 2.160 251 E HA -0.176 4.165 4.350 -0.015 0.000 0.195 251 E C 1.264 177.572 176.600 -0.485 0.000 0.991 251 E CA 1.761 57.950 56.400 -0.353 0.000 0.810 251 E CB -0.189 29.375 29.700 -0.226 0.000 0.742 251 E HN 0.619 nan 8.360 nan 0.000 0.466 252 D N -0.022 120.164 120.400 -0.357 0.000 2.342 252 D HA -0.052 4.579 4.640 -0.015 0.000 0.221 252 D C -0.397 175.804 176.300 -0.165 0.000 1.101 252 D CA -0.367 53.476 54.000 -0.262 0.000 0.837 252 D CB -0.571 40.154 40.800 -0.125 0.000 0.938 252 D HN 0.168 nan 8.370 nan 0.000 0.508 253 H N 0.258 119.318 119.070 -0.016 0.000 2.680 253 H HA -0.163 4.383 4.556 -0.015 0.000 0.328 253 H C -0.506 174.829 175.328 0.012 0.000 1.139 253 H CA 0.538 56.595 56.048 0.015 0.000 1.124 253 H CB -2.360 27.431 29.762 0.049 0.000 1.584 253 H HN 0.494 nan 8.280 nan 0.000 0.410 254 Q N 0.708 120.576 119.800 0.113 0.000 2.364 254 Q HA 0.338 4.668 4.340 -0.015 0.000 0.267 254 Q C 1.052 177.131 176.000 0.132 0.000 0.999 254 Q CA -0.067 55.806 55.803 0.116 0.000 0.886 254 Q CB 1.119 29.942 28.738 0.142 0.000 1.243 254 Q HN 0.404 nan 8.270 nan 0.000 0.415 255 I N 2.657 123.268 120.570 0.067 0.000 2.322 255 I HA -0.004 4.157 4.170 -0.015 0.000 0.292 255 I C 1.353 177.502 176.117 0.052 0.000 1.060 255 I CA 0.065 61.384 61.300 0.031 0.000 1.309 255 I CB 0.945 38.905 38.000 -0.066 0.000 1.415 255 I HN 0.865 nan 8.210 nan 0.000 0.492 256 T N 2.468 117.087 114.554 0.108 0.000 2.988 256 T HA 0.261 4.601 4.350 -0.015 0.000 0.240 256 T C 0.592 175.324 174.700 0.052 0.000 1.014 256 T CA 0.126 62.277 62.100 0.084 0.000 1.155 256 T CB 0.390 69.328 68.868 0.116 0.000 0.872 256 T HN 0.514 nan 8.240 nan 0.000 0.440 257 E N 0.171 120.459 120.200 0.146 0.000 2.390 257 E HA 0.517 4.858 4.350 -0.015 0.000 0.277 257 E C -1.775 174.950 176.600 0.208 0.000 0.939 257 E CA -0.894 55.593 56.400 0.146 0.000 0.769 257 E CB 3.035 32.830 29.700 0.159 0.000 1.251 257 E HN 0.017 nan 8.360 nan 0.000 0.450 258 V N 2.786 122.785 119.914 0.142 0.000 2.322 258 V HA 0.344 4.455 4.120 -0.015 0.000 0.258 258 V C 0.941 177.155 176.094 0.200 0.000 1.074 258 V CA 0.814 63.189 62.300 0.124 0.000 0.909 258 V CB -0.436 31.440 31.823 0.088 0.000 1.090 258 V HN 0.977 nan 8.190 nan 0.000 0.486 259 G N 5.402 114.352 108.800 0.250 0.000 2.574 259 G HA2 -0.306 3.645 3.960 -0.015 0.000 0.286 259 G HA3 -0.306 3.645 3.960 -0.015 0.000 0.286 259 G C 0.553 175.721 174.900 0.446 0.000 1.212 259 G CA 0.250 45.566 45.100 0.360 0.000 0.979 259 G HN 1.227 nan 8.290 nan 0.000 0.557 260 T N -1.538 113.219 114.554 0.338 0.000 3.256 260 T HA 0.681 5.022 4.350 -0.015 0.000 0.237 260 T C 0.345 175.157 174.700 0.186 0.000 0.908 260 T CA 0.323 62.587 62.100 0.273 0.000 0.966 260 T CB -0.343 68.744 68.868 0.364 0.000 1.134 260 T HN 0.560 nan 8.240 nan 0.000 0.573 261 M N 1.669 121.367 119.600 0.165 0.000 2.457 261 M HA 0.407 4.877 4.480 -0.015 0.000 0.300 261 M C -0.693 175.672 176.300 0.108 0.000 1.141 261 M CA -0.879 54.492 55.300 0.119 0.000 0.901 261 M CB 2.057 34.723 32.600 0.109 0.000 1.687 261 M HN 0.025 nan 8.290 nan 0.000 0.449 262 N N 2.416 121.174 118.700 0.096 0.000 2.492 262 N HA 0.153 4.884 4.740 -0.015 0.000 0.262 262 N C -1.083 174.426 175.510 -0.000 0.000 1.202 262 N CA -0.075 52.990 53.050 0.025 0.000 0.926 262 N CB 0.997 39.500 38.487 0.026 0.000 1.078 262 N HN 0.508 nan 8.380 nan 0.000 0.454 263 L N 3.208 124.334 121.223 -0.162 0.000 2.305 263 L HA 0.455 4.786 4.340 -0.015 0.000 0.281 263 L C -1.099 175.462 176.870 -0.515 0.000 1.085 263 L CA -0.062 54.644 54.840 -0.222 0.000 0.813 263 L CB -0.238 41.717 42.059 -0.174 0.000 1.157 263 L HN 0.377 nan 8.230 nan 0.000 0.436 264 F N 5.349 125.015 119.950 -0.473 0.000 2.540 264 F HA 0.487 5.004 4.527 -0.017 0.000 0.317 264 F C -0.382 175.036 175.800 -0.636 0.000 1.104 264 F CA -0.705 56.901 58.000 -0.655 0.000 0.913 264 F CB 2.036 40.314 39.000 -1.203 0.000 1.170 264 F HN 0.327 nan 8.300 nan 0.000 0.450 265 L N 4.976 126.021 121.223 -0.297 0.000 2.356 265 L HA 0.454 4.785 4.340 -0.015 0.000 0.277 265 L C -1.862 174.925 176.870 -0.138 0.000 0.996 265 L CA -0.833 53.806 54.840 -0.334 0.000 0.822 265 L CB 1.244 42.924 42.059 -0.631 0.000 1.256 265 L HN 0.622 nan 8.230 nan 0.000 0.413 266 Y N 6.809 127.028 120.300 -0.134 0.000 2.334 266 Y HA 0.664 5.205 4.550 -0.015 0.000 0.336 266 Y C -1.268 174.729 175.900 0.162 0.000 0.960 266 Y CA -0.595 57.512 58.100 0.012 0.000 1.164 266 Y CB 0.735 39.219 38.460 0.039 0.000 1.155 266 Y HN 0.785 nan 8.280 nan 0.000 0.478 267 W N 5.440 126.601 121.300 -0.232 0.000 2.760 267 W HA 0.449 5.100 4.660 -0.013 0.000 0.430 267 W C -2.882 173.511 176.519 -0.209 0.000 1.072 267 W CA -1.819 55.359 57.345 -0.277 0.000 1.181 267 W CB -0.123 29.261 29.460 -0.127 0.000 1.466 267 W HN 0.262 nan 8.180 nan 0.000 0.597 268 I N 3.588 123.979 120.570 -0.297 0.000 2.312 268 I HA 0.212 4.373 4.170 -0.015 0.000 0.290 268 I C 0.646 176.167 176.117 -0.993 0.000 1.008 268 I CA -0.468 60.560 61.300 -0.453 0.000 1.226 268 I CB 0.348 38.184 38.000 -0.273 0.000 1.371 268 I HN 0.386 nan 8.210 nan 0.000 0.468 269 N N 4.720 122.813 118.700 -1.013 0.000 2.290 269 N HA 0.060 4.791 4.740 -0.015 0.000 0.269 269 N C 0.657 175.773 175.510 -0.658 0.000 1.295 269 N CA -0.207 52.136 53.050 -1.177 0.000 0.932 269 N CB 0.285 38.460 38.487 -0.520 0.000 1.128 269 N HN 0.402 nan 8.380 nan 0.000 0.532 270 E N -1.263 118.668 120.200 -0.448 0.000 2.265 270 E HA -0.116 4.225 4.350 -0.015 0.000 0.196 270 E C 0.224 176.729 176.600 -0.158 0.000 0.996 270 E CA 1.224 57.484 56.400 -0.233 0.000 0.832 270 E CB -0.228 29.406 29.700 -0.110 0.000 0.756 270 E HN 0.525 nan 8.360 nan 0.000 0.491 271 D N -0.852 119.459 120.400 -0.147 0.000 2.340 271 D HA 0.104 4.735 4.640 -0.015 0.000 0.220 271 D C 0.955 177.195 176.300 -0.100 0.000 1.039 271 D CA 0.785 54.730 54.000 -0.091 0.000 0.866 271 D CB 0.524 41.292 40.800 -0.053 0.000 0.913 271 D HN 0.276 nan 8.370 nan 0.000 0.523 272 G N 1.569 110.275 108.800 -0.156 0.000 2.136 272 G HA2 -0.284 3.666 3.960 -0.015 0.000 0.242 272 G HA3 -0.284 3.666 3.960 -0.015 0.000 0.242 272 G C -0.079 174.754 174.900 -0.112 0.000 0.989 272 G CA -0.192 44.825 45.100 -0.138 0.000 0.682 272 G HN 0.349 nan 8.290 nan 0.000 0.522 273 E N 0.357 120.486 120.200 -0.120 0.000 2.197 273 E HA 0.398 4.739 4.350 -0.015 0.000 0.281 273 E C 0.306 176.873 176.600 -0.056 0.000 0.995 273 E CA -0.609 55.760 56.400 -0.050 0.000 0.808 273 E CB 1.283 30.980 29.700 -0.004 0.000 1.093 273 E HN 0.438 nan 8.360 nan 0.000 0.394 274 E N 3.338 123.548 120.200 0.016 0.000 2.415 274 E HA -0.067 4.274 4.350 -0.015 0.000 0.263 274 E C -0.617 176.078 176.600 0.160 0.000 0.995 274 E CA 0.488 56.915 56.400 0.045 0.000 0.915 274 E CB 0.620 30.394 29.700 0.124 0.000 0.951 274 E HN 0.481 nan 8.360 nan 0.000 0.449 275 E N 4.352 124.663 120.200 0.184 0.000 2.375 275 E HA 0.260 4.601 4.350 -0.015 0.000 0.280 275 E C -1.853 174.990 176.600 0.404 0.000 0.972 275 E CA -0.743 55.851 56.400 0.324 0.000 0.782 275 E CB 1.228 31.115 29.700 0.312 0.000 1.229 275 E HN 0.485 nan 8.360 nan 0.000 0.439 276 L N 3.183 124.608 121.223 0.337 0.000 2.298 276 L HA 0.800 5.130 4.340 -0.015 0.000 0.284 276 L C -1.165 175.859 176.870 0.257 0.000 1.013 276 L CA -0.313 54.696 54.840 0.282 0.000 0.824 276 L CB 1.052 43.285 42.059 0.291 0.000 1.221 276 L HN 0.726 nan 8.230 nan 0.000 0.418 277 A N 3.198 126.102 122.820 0.141 0.000 2.374 277 A HA 0.796 5.107 4.320 -0.015 0.000 0.317 277 A C -0.717 176.762 177.584 -0.176 0.000 1.094 277 A CA -0.470 51.579 52.037 0.019 0.000 0.765 277 A CB 2.123 21.134 19.000 0.017 0.000 1.268 277 A HN 0.577 nan 8.150 nan 0.000 0.438 278 T N 1.761 116.161 114.554 -0.256 0.000 2.982 278 T HA 0.632 4.973 4.350 -0.015 0.000 0.321 278 T C -3.077 171.429 174.700 -0.324 0.000 1.229 278 T CA -1.213 60.591 62.100 -0.493 0.000 1.044 278 T CB 1.580 69.860 68.868 -0.979 0.000 1.184 278 T HN 0.330 nan 8.240 nan 0.000 0.477 279 P HA 0.172 nan 4.420 nan 0.000 0.266 279 P C -2.501 174.657 177.300 -0.237 0.000 1.193 279 P CA -0.695 62.274 63.100 -0.217 0.000 0.770 279 P CB 0.020 31.644 31.700 -0.126 0.000 0.836 280 P HA 0.132 nan 4.420 nan 0.000 0.277 280 P C -0.449 176.755 177.300 -0.160 0.000 1.240 280 P CA -0.120 62.831 63.100 -0.248 0.000 0.798 280 P CB 0.720 32.196 31.700 -0.373 0.000 0.979 281 L N 2.564 123.718 121.223 -0.115 0.000 2.376 281 L HA 0.059 4.389 4.340 -0.015 0.000 0.250 281 L C 1.082 177.912 176.870 -0.066 0.000 1.335 281 L CA 0.105 54.893 54.840 -0.086 0.000 1.214 281 L CB -0.905 41.112 42.059 -0.070 0.000 1.395 281 L HN 0.402 nan 8.230 nan 0.000 0.424 282 D N -0.323 120.046 120.400 -0.051 0.000 2.339 282 D HA 0.088 4.719 4.640 -0.015 0.000 0.217 282 D C 1.329 177.608 176.300 -0.034 0.000 1.050 282 D CA 0.623 54.619 54.000 -0.007 0.000 0.856 282 D CB 0.812 41.670 40.800 0.097 0.000 0.922 282 D HN 0.473 nan 8.370 nan 0.000 0.518 283 G N 1.169 109.921 108.800 -0.080 0.000 2.316 283 G HA2 -0.246 3.705 3.960 -0.015 0.000 0.203 283 G HA3 -0.246 3.705 3.960 -0.015 0.000 0.203 283 G C 0.846 175.631 174.900 -0.190 0.000 0.999 283 G CA 0.049 45.078 45.100 -0.118 0.000 0.649 283 G HN 0.519 nan 8.290 nan 0.000 0.489 284 I N -1.033 119.408 120.570 -0.214 0.000 4.018 284 I HA 0.527 4.688 4.170 -0.015 0.000 0.337 284 I C -0.077 175.904 176.117 -0.225 0.000 1.327 284 I CA -0.411 60.710 61.300 -0.299 0.000 1.100 284 I CB 0.235 37.957 38.000 -0.464 0.000 1.025 284 I HN -0.092 nan 8.210 nan 0.000 0.396 285 I N 2.547 123.019 120.570 -0.162 0.000 2.404 285 I HA 0.369 4.530 4.170 -0.015 0.000 0.293 285 I C -0.410 175.639 176.117 -0.113 0.000 0.992 285 I CA -0.855 60.370 61.300 -0.126 0.000 1.149 285 I CB 2.053 39.990 38.000 -0.106 0.000 1.315 285 I HN 0.122 nan 8.210 nan 0.000 0.446 286 L N 8.574 129.740 121.223 -0.095 0.000 2.331 286 L HA 0.396 4.727 4.340 -0.015 0.000 0.278 286 L C -2.123 174.716 176.870 -0.052 0.000 1.106 286 L CA -1.176 53.621 54.840 -0.072 0.000 0.824 286 L CB 0.964 42.996 42.059 -0.045 0.000 1.142 286 L HN 0.318 nan 8.230 nan 0.000 0.443 287 P HA 0.153 nan 4.420 nan 0.000 0.263 287 P C -0.170 177.119 177.300 -0.019 0.000 1.601 287 P CA -0.159 62.918 63.100 -0.038 0.000 1.161 287 P CB 0.390 32.064 31.700 -0.044 0.000 1.730 288 G N 1.758 110.560 108.800 0.004 0.000 2.491 288 G HA2 0.125 4.076 3.960 -0.015 0.000 0.242 288 G HA3 0.125 4.076 3.960 -0.015 0.000 0.242 288 G C 1.235 176.150 174.900 0.025 0.000 1.266 288 G CA -0.475 44.643 45.100 0.030 0.000 0.844 288 G HN 0.197 nan 8.290 nan 0.000 0.571 289 V N 1.819 121.747 119.914 0.023 0.000 2.453 289 V HA -0.144 3.966 4.120 -0.015 0.000 0.247 289 V C 3.067 179.172 176.094 0.017 0.000 1.048 289 V CA 2.382 64.678 62.300 -0.008 0.000 1.049 289 V CB -0.732 31.099 31.823 0.014 0.000 0.672 289 V HN 0.815 nan 8.190 nan 0.000 0.457 290 T N -0.031 114.569 114.554 0.078 0.000 2.746 290 T HA -0.245 4.096 4.350 -0.015 0.000 0.267 290 T C 1.995 176.761 174.700 0.110 0.000 1.039 290 T CA 1.777 63.928 62.100 0.086 0.000 1.142 290 T CB -0.292 68.632 68.868 0.094 0.000 0.866 290 T HN 0.431 nan 8.240 nan 0.000 0.444 291 R N 0.928 121.535 120.500 0.178 0.000 2.083 291 R HA -0.137 4.194 4.340 -0.015 0.000 0.237 291 R C 2.555 178.988 176.300 0.221 0.000 1.137 291 R CA 1.553 57.846 56.100 0.321 0.000 0.951 291 R CB -0.159 30.267 30.300 0.209 0.000 0.851 291 R HN 0.080 nan 8.270 nan 0.000 0.434 292 R N 0.617 121.162 120.500 0.075 0.000 2.096 292 R HA -0.056 4.275 4.340 -0.015 0.000 0.235 292 R C 2.086 178.366 176.300 -0.034 0.000 1.127 292 R CA 1.905 58.014 56.100 0.016 0.000 0.968 292 R CB -1.181 29.084 30.300 -0.058 0.000 0.861 292 R HN 0.383 nan 8.270 nan 0.000 0.440 293 C N -0.261 118.960 119.300 -0.133 0.000 2.446 293 C HA 0.046 4.497 4.460 -0.015 0.000 0.277 293 C C 2.610 177.613 174.990 0.021 0.000 1.275 293 C CA 0.615 59.489 59.018 -0.239 0.000 1.727 293 C CB -0.895 26.648 27.740 -0.329 0.000 2.010 293 C HN 0.495 nan 8.230 nan 0.000 0.486 294 I N 0.555 121.133 120.570 0.013 0.000 2.226 294 I HA -0.220 3.941 4.170 -0.015 0.000 0.245 294 I C 2.403 178.519 176.117 -0.001 0.000 1.100 294 I CA 1.539 62.809 61.300 -0.051 0.000 1.374 294 I CB -0.422 37.422 38.000 -0.261 0.000 1.057 294 I HN 0.344 nan 8.210 nan 0.000 0.413 295 L N 0.203 121.497 121.223 0.119 0.000 2.046 295 L HA -0.245 4.085 4.340 -0.015 0.000 0.208 295 L C 2.209 179.146 176.870 0.111 0.000 1.077 295 L CA 1.264 56.181 54.840 0.129 0.000 0.747 295 L CB -0.722 41.458 42.059 0.201 0.000 0.896 295 L HN 0.268 nan 8.230 nan 0.000 0.432 296 D N 0.226 120.712 120.400 0.143 0.000 2.104 296 D HA -0.178 4.452 4.640 -0.015 0.000 0.194 296 D C 2.380 178.692 176.300 0.019 0.000 0.994 296 D CA 1.279 55.386 54.000 0.179 0.000 0.830 296 D CB -0.264 40.733 40.800 0.327 0.000 0.959 296 D HN 0.256 nan 8.370 nan 0.000 0.452 297 L N 0.634 121.788 121.223 -0.116 0.000 2.046 297 L HA -0.153 4.178 4.340 -0.015 0.000 0.208 297 L C 2.587 178.950 176.870 -0.845 0.000 1.077 297 L CA 1.181 55.646 54.840 -0.625 0.000 0.747 297 L CB -0.502 41.084 42.059 -0.788 0.000 0.896 297 L HN -0.023 nan 8.230 nan 0.000 0.432 298 A N -0.813 121.747 122.820 -0.433 0.000 1.877 298 A HA -0.241 4.070 4.320 -0.015 0.000 0.216 298 A C 2.168 179.628 177.584 -0.207 0.000 1.186 298 A CA 1.523 53.437 52.037 -0.205 0.000 0.620 298 A CB -0.803 18.214 19.000 0.028 0.000 0.822 298 A HN 0.409 nan 8.150 nan 0.000 0.443 299 H N 0.013 119.027 119.070 -0.094 0.000 2.353 299 H HA -0.158 4.389 4.556 -0.015 0.000 0.300 299 H C 2.428 177.701 175.328 -0.090 0.000 1.090 299 H CA 1.996 58.008 56.048 -0.059 0.000 1.327 299 H CB -0.310 29.441 29.762 -0.019 0.000 1.383 299 H HN 0.909 nan 8.280 nan 0.000 0.508 300 Q N -0.144 119.636 119.800 -0.032 0.000 2.172 300 Q HA -0.128 4.203 4.340 -0.015 0.000 0.200 300 Q C 1.813 177.814 176.000 0.001 0.000 0.964 300 Q CA 0.998 56.765 55.803 -0.061 0.000 0.855 300 Q CB -0.321 28.335 28.738 -0.136 0.000 0.918 300 Q HN 0.297 nan 8.270 nan 0.000 0.444 301 W N 1.360 122.605 121.300 -0.092 0.000 2.402 301 W HA 0.169 4.818 4.660 -0.017 0.000 0.286 301 W C 1.495 177.908 176.519 -0.177 0.000 1.221 301 W CA 1.521 58.780 57.345 -0.143 0.000 1.257 301 W CB -0.998 28.339 29.460 -0.205 0.000 1.120 301 W HN 0.500 nan 8.180 nan 0.000 0.551 302 G N 0.918 109.720 108.800 0.002 0.000 2.296 302 G HA2 -0.364 3.587 3.960 -0.015 0.000 0.282 302 G HA3 -0.364 3.587 3.960 -0.015 0.000 0.282 302 G C 0.782 175.630 174.900 -0.087 0.000 1.014 302 G CA 0.841 45.914 45.100 -0.044 0.000 0.812 302 G HN 0.441 nan 8.290 nan 0.000 0.508 303 E N -1.323 118.736 120.200 -0.235 0.000 2.479 303 E HA 0.388 4.729 4.350 -0.015 0.000 0.193 303 E C 0.426 177.038 176.600 0.019 0.000 1.049 303 E CA 0.467 56.794 56.400 -0.122 0.000 0.870 303 E CB 0.156 29.807 29.700 -0.082 0.000 0.944 303 E HN 0.831 nan 8.360 nan 0.000 0.492 304 F N -2.095 117.949 119.950 0.157 0.000 2.770 304 F HA 0.363 4.880 4.527 -0.016 0.000 0.313 304 F C -0.965 174.924 175.800 0.149 0.000 1.154 304 F CA -1.748 56.349 58.000 0.162 0.000 0.923 304 F CB 0.731 39.868 39.000 0.229 0.000 1.301 304 F HN -0.443 nan 8.300 nan 0.000 0.449 305 K N 1.513 122.173 120.400 0.433 0.000 2.448 305 K HA 0.535 4.846 4.320 -0.015 0.000 0.278 305 K C -1.332 175.492 176.600 0.373 0.000 1.009 305 K CA -0.240 56.232 56.287 0.309 0.000 0.995 305 K CB 0.756 33.392 32.500 0.227 0.000 0.917 305 K HN 0.618 nan 8.250 nan 0.000 0.481 306 V N 3.351 123.398 119.914 0.223 0.000 2.409 306 V HA 0.280 4.391 4.120 -0.015 0.000 0.291 306 V C -0.763 175.408 176.094 0.127 0.000 1.020 306 V CA -0.663 61.711 62.300 0.123 0.000 0.848 306 V CB 1.619 33.254 31.823 -0.314 0.000 0.990 306 V HN 0.774 nan 8.190 nan 0.000 0.430 307 S N 3.632 119.416 115.700 0.140 0.000 2.557 307 S HA 0.462 4.923 4.470 -0.015 0.000 0.291 307 S C -0.633 173.994 174.600 0.045 0.000 1.116 307 S CA -0.803 57.464 58.200 0.112 0.000 0.992 307 S CB 1.662 64.944 63.200 0.137 0.000 1.028 307 S HN 0.780 nan 8.310 nan 0.000 0.484 308 E N 2.992 123.200 120.200 0.014 0.000 2.014 308 E HA 0.390 4.731 4.350 -0.015 0.000 0.275 308 E C 0.035 176.561 176.600 -0.124 0.000 0.997 308 E CA -0.419 55.940 56.400 -0.068 0.000 0.804 308 E CB 0.660 30.329 29.700 -0.052 0.000 1.090 308 E HN 0.555 nan 8.360 nan 0.000 0.401 309 R N 1.397 121.801 120.500 -0.159 0.000 2.795 309 R HA 0.386 4.717 4.340 -0.015 0.000 0.268 309 R C -1.069 175.096 176.300 -0.224 0.000 1.041 309 R CA -0.950 55.027 56.100 -0.205 0.000 0.927 309 R CB 0.779 31.061 30.300 -0.030 0.000 1.235 309 R HN 0.182 nan 8.270 nan 0.000 0.463 310 Y N 0.673 120.979 120.300 0.010 0.000 2.346 310 Y HA 0.397 4.938 4.550 -0.016 0.000 0.330 310 Y C 0.108 176.006 175.900 -0.004 0.000 1.178 310 Y CA -0.409 57.693 58.100 0.004 0.000 1.331 310 Y CB 1.094 39.571 38.460 0.029 0.000 1.253 310 Y HN 0.144 nan 8.280 nan 0.000 0.529 311 L N 3.318 124.628 121.223 0.144 0.000 2.439 311 L HA 0.438 4.769 4.340 -0.015 0.000 0.270 311 L C -0.401 176.482 176.870 0.021 0.000 0.972 311 L CA -0.760 54.090 54.840 0.016 0.000 0.836 311 L CB 2.234 44.205 42.059 -0.148 0.000 1.255 311 L HN 0.657 nan 8.230 nan 0.000 0.404 312 T N -1.271 113.297 114.554 0.025 0.000 2.945 312 T HA 0.378 4.719 4.350 -0.015 0.000 0.286 312 T C 1.174 175.850 174.700 -0.039 0.000 1.025 312 T CA -0.932 61.178 62.100 0.017 0.000 1.039 312 T CB 1.671 70.567 68.868 0.046 0.000 1.068 312 T HN 0.372 nan 8.240 nan 0.000 0.497 313 M N 0.998 120.549 119.600 -0.083 0.000 2.144 313 M HA -0.096 4.375 4.480 -0.015 0.000 0.260 313 M C 1.348 177.581 176.300 -0.112 0.000 1.067 313 M CA 1.529 56.691 55.300 -0.230 0.000 1.095 313 M CB -1.321 30.960 32.600 -0.532 0.000 1.365 313 M HN 0.693 nan 8.290 nan 0.000 0.406 314 D N 0.334 120.730 120.400 -0.006 0.000 2.149 314 D HA -0.124 4.507 4.640 -0.015 0.000 0.201 314 D C 1.584 177.921 176.300 0.061 0.000 0.972 314 D CA 0.956 54.981 54.000 0.041 0.000 0.835 314 D CB -0.254 40.588 40.800 0.070 0.000 0.966 314 D HN 0.330 nan 8.370 nan 0.000 0.476 315 D N 0.493 120.940 120.400 0.078 0.000 2.117 315 D HA -0.124 4.507 4.640 -0.015 0.000 0.197 315 D C 2.209 178.625 176.300 0.193 0.000 0.987 315 D CA 0.357 54.459 54.000 0.171 0.000 0.829 315 D CB -0.218 40.706 40.800 0.207 0.000 0.961 315 D HN 0.148 nan 8.370 nan 0.000 0.460 316 L N 1.071 122.319 121.223 0.043 0.000 1.976 316 L HA -0.172 4.159 4.340 -0.015 0.000 0.209 316 L C 2.544 179.436 176.870 0.036 0.000 1.071 316 L CA 2.425 57.261 54.840 -0.007 0.000 0.746 316 L CB -1.269 40.712 42.059 -0.129 0.000 0.890 316 L HN 0.127 nan 8.230 nan 0.000 0.432 317 T N -4.618 109.937 114.554 0.002 0.000 2.720 317 T HA -0.198 4.143 4.350 -0.015 0.000 0.268 317 T C 1.786 176.518 174.700 0.053 0.000 1.037 317 T CA 1.890 64.003 62.100 0.020 0.000 1.144 317 T CB -1.337 67.542 68.868 0.018 0.000 0.864 317 T HN 0.391 nan 8.240 nan 0.000 0.444 318 T N 2.066 116.661 114.554 0.068 0.000 2.788 318 T HA 0.083 4.424 4.350 -0.015 0.000 0.268 318 T C 2.438 177.184 174.700 0.077 0.000 1.044 318 T CA 1.242 63.382 62.100 0.067 0.000 1.139 318 T CB -0.740 68.171 68.868 0.070 0.000 0.867 318 T HN 0.625 nan 8.240 nan 0.000 0.454 319 A N 0.965 123.866 122.820 0.136 0.000 1.929 319 A HA 0.098 4.409 4.320 -0.015 0.000 0.216 319 A C 2.274 179.922 177.584 0.106 0.000 1.176 319 A CA 0.962 53.094 52.037 0.160 0.000 0.628 319 A CB -0.710 18.545 19.000 0.425 0.000 0.816 319 A HN 0.456 nan 8.150 nan 0.000 0.444 320 L N -0.387 120.890 121.223 0.090 0.000 2.046 320 L HA -0.205 4.126 4.340 -0.015 0.000 0.208 320 L C 2.551 179.449 176.870 0.046 0.000 1.077 320 L CA 1.636 56.512 54.840 0.060 0.000 0.747 320 L CB -0.595 41.490 42.059 0.043 0.000 0.896 320 L HN 0.464 nan 8.230 nan 0.000 0.432 321 E N -0.190 120.036 120.200 0.043 0.000 2.204 321 E HA -0.161 4.180 4.350 -0.015 0.000 0.195 321 E C 1.955 178.569 176.600 0.023 0.000 0.990 321 E CA 1.045 57.465 56.400 0.032 0.000 0.821 321 E CB -0.241 29.478 29.700 0.031 0.000 0.750 321 E HN 0.570 nan 8.360 nan 0.000 0.477 322 G N 0.528 109.340 108.800 0.021 0.000 3.042 322 G HA2 -0.095 3.856 3.960 -0.015 0.000 0.212 322 G HA3 -0.095 3.856 3.960 -0.015 0.000 0.212 322 G C 0.436 175.336 174.900 0.001 0.000 1.166 322 G CA -0.355 44.747 45.100 0.004 0.000 0.767 322 G HN 0.113 nan 8.290 nan 0.000 0.546 323 N N -0.250 118.460 118.700 0.016 0.000 2.740 323 N HA -0.148 4.583 4.740 -0.015 0.000 0.248 323 N C 1.288 176.798 175.510 0.001 0.000 1.062 323 N CA 0.558 53.617 53.050 0.014 0.000 0.704 323 N CB -0.493 37.998 38.487 0.007 0.000 0.968 323 N HN 0.480 nan 8.380 nan 0.000 0.547 324 R N -0.831 119.676 120.500 0.011 0.000 2.290 324 R HA 0.152 4.483 4.340 -0.015 0.000 0.197 324 R C 0.381 176.716 176.300 0.058 0.000 0.913 324 R CA 0.149 56.241 56.100 -0.014 0.000 1.040 324 R CB 0.665 30.918 30.300 -0.078 0.000 0.992 324 R HN -0.047 nan 8.270 nan 0.000 0.500 325 V N 1.418 121.394 119.914 0.103 0.000 2.583 325 V HA 0.132 4.243 4.120 -0.015 0.000 0.287 325 V C 1.080 177.183 176.094 0.014 0.000 1.051 325 V CA 0.149 62.518 62.300 0.115 0.000 1.010 325 V CB 1.597 33.470 31.823 0.084 0.000 0.988 325 V HN 0.245 nan 8.190 nan 0.000 0.478 326 R N 2.110 122.590 120.500 -0.035 0.000 2.144 326 R HA 0.357 4.688 4.340 -0.015 0.000 0.195 326 R C -0.061 176.258 176.300 0.032 0.000 1.077 326 R CA 0.152 56.209 56.100 -0.071 0.000 1.120 326 R CB 0.667 30.784 30.300 -0.305 0.000 1.060 326 R HN 0.742 nan 8.270 nan 0.000 0.520 327 E N 0.033 120.295 120.200 0.103 0.000 2.413 327 E HA 0.418 4.759 4.350 -0.015 0.000 0.277 327 E C -1.560 175.121 176.600 0.134 0.000 0.958 327 E CA -0.525 55.980 56.400 0.175 0.000 0.779 327 E CB 3.095 33.003 29.700 0.347 0.000 1.278 327 E HN -0.103 nan 8.360 nan 0.000 0.456 328 M N 3.016 122.684 119.600 0.113 0.000 2.371 328 M HA 0.571 5.042 4.480 -0.015 0.000 0.287 328 M C -2.086 174.284 176.300 0.116 0.000 1.149 328 M CA -0.604 54.691 55.300 -0.009 0.000 0.929 328 M CB 1.404 33.953 32.600 -0.084 0.000 1.683 328 M HN 0.625 nan 8.290 nan 0.000 0.470 329 F N 1.552 121.516 119.950 0.022 0.000 2.678 329 F HA 0.890 5.407 4.527 -0.017 0.000 0.308 329 F C -0.693 175.173 175.800 0.109 0.000 1.118 329 F CA -0.869 57.141 58.000 0.017 0.000 0.959 329 F CB 0.672 39.645 39.000 -0.046 0.000 1.305 329 F HN 0.551 nan 8.300 nan 0.000 0.443 330 G N 0.290 109.259 108.800 0.281 0.000 2.434 330 G HA2 0.597 4.548 3.960 -0.015 0.000 0.330 330 G HA3 0.597 4.548 3.960 -0.015 0.000 0.330 330 G C -1.344 173.763 174.900 0.344 0.000 1.155 330 G CA -0.537 44.705 45.100 0.236 0.000 0.917 330 G HN 1.185 nan 8.290 nan 0.000 0.493 331 S N -0.851 115.035 115.700 0.310 0.000 2.536 331 S HA 0.922 5.382 4.470 -0.015 0.000 0.287 331 S C -0.257 174.435 174.600 0.154 0.000 1.101 331 S CA -0.135 58.224 58.200 0.264 0.000 0.950 331 S CB 2.099 65.514 63.200 0.357 0.000 1.056 331 S HN 1.943 nan 8.310 nan 0.000 0.481 332 G N 0.490 109.340 108.800 0.083 0.000 2.489 332 G HA2 0.438 4.389 3.960 -0.015 0.000 0.291 332 G HA3 0.438 4.389 3.960 -0.015 0.000 0.291 332 G C 0.119 175.025 174.900 0.010 0.000 1.487 332 G CA -0.183 44.938 45.100 0.035 0.000 0.795 332 G HN 0.570 nan 8.290 nan 0.000 0.513 333 T N 0.987 115.569 114.554 0.047 0.000 2.720 333 T HA -0.082 4.259 4.350 -0.015 0.000 0.268 333 T C 2.737 177.467 174.700 0.049 0.000 1.037 333 T CA 2.742 64.902 62.100 0.100 0.000 1.144 333 T CB -0.294 68.704 68.868 0.215 0.000 0.864 333 T HN 0.954 nan 8.240 nan 0.000 0.444 334 A N -0.427 122.311 122.820 -0.136 0.000 1.930 334 A HA 0.033 4.344 4.320 -0.015 0.000 0.217 334 A C 1.682 179.092 177.584 -0.290 0.000 1.175 334 A CA 0.790 52.608 52.037 -0.364 0.000 0.627 334 A CB -0.445 17.839 19.000 -1.193 0.000 0.815 334 A HN 0.564 nan 8.150 nan 0.000 0.443 335 C N -0.205 118.920 119.300 -0.293 0.000 2.653 335 C HA 0.486 4.937 4.460 -0.015 0.000 0.291 335 C C 1.799 176.789 174.990 -0.000 0.000 1.064 335 C CA -0.491 58.475 59.018 -0.087 0.000 1.469 335 C CB -0.869 26.829 27.740 -0.071 0.000 1.861 335 C HN 0.516 nan 8.230 nan 0.000 0.434 336 V N 5.723 125.659 119.914 0.037 0.000 2.250 336 V HA -0.120 3.991 4.120 -0.015 0.000 0.253 336 V C 0.805 176.939 176.094 0.067 0.000 1.065 336 V CA 2.571 64.895 62.300 0.039 0.000 1.039 336 V CB 0.100 31.937 31.823 0.024 0.000 0.647 336 V HN 0.675 nan 8.190 nan 0.000 0.446 337 V N -0.588 119.384 119.914 0.097 0.000 2.569 337 V HA 0.409 4.520 4.120 -0.015 0.000 0.301 337 V C -0.712 175.477 176.094 0.159 0.000 1.044 337 V CA -0.536 61.813 62.300 0.082 0.000 0.874 337 V CB 1.144 32.919 31.823 -0.079 0.000 1.002 337 V HN 0.363 nan 8.190 nan 0.000 0.424 338 C N 7.811 127.211 119.300 0.167 0.000 2.362 338 C HA 0.472 4.923 4.460 -0.015 0.000 0.309 338 C C -2.238 172.818 174.990 0.110 0.000 1.110 338 C CA -1.433 57.673 59.018 0.147 0.000 1.485 338 C CB 1.203 29.040 27.740 0.162 0.000 1.949 338 C HN 0.677 nan 8.230 nan 0.000 0.419 339 P HA 0.133 nan 4.420 nan 0.000 0.268 339 P C -0.670 176.629 177.300 -0.001 0.000 1.205 339 P CA 0.462 63.518 63.100 -0.074 0.000 0.771 339 P CB 0.978 32.459 31.700 -0.366 0.000 0.858 340 V N 2.627 122.547 119.914 0.011 0.000 2.513 340 V HA 0.213 4.324 4.120 -0.015 0.000 0.299 340 V C 1.432 177.494 176.094 -0.053 0.000 1.035 340 V CA 0.139 62.434 62.300 -0.007 0.000 0.889 340 V CB 1.349 33.164 31.823 -0.013 0.000 0.988 340 V HN 0.751 nan 8.190 nan 0.000 0.440 341 S N 1.653 117.322 115.700 -0.052 0.000 2.539 341 S HA 0.306 4.767 4.470 -0.015 0.000 0.226 341 S C 0.024 174.521 174.600 -0.172 0.000 1.054 341 S CA -0.220 57.909 58.200 -0.118 0.000 0.910 341 S CB 0.322 63.526 63.200 0.006 0.000 0.818 341 S HN 0.752 nan 8.310 nan 0.000 0.490 342 D N -0.123 120.250 120.400 -0.044 0.000 2.661 342 D HA 0.632 5.263 4.640 -0.015 0.000 0.228 342 D C -1.516 174.788 176.300 0.007 0.000 1.210 342 D CA -0.429 53.573 54.000 0.003 0.000 0.826 342 D CB 1.937 42.797 40.800 0.100 0.000 1.542 342 D HN 0.156 nan 8.370 nan 0.000 0.447 343 I N 1.506 122.081 120.570 0.009 0.000 2.500 343 I HA 0.216 4.377 4.170 -0.015 0.000 0.286 343 I C -1.341 174.790 176.117 0.022 0.000 1.063 343 I CA -0.799 60.499 61.300 -0.003 0.000 1.062 343 I CB 1.457 39.418 38.000 -0.064 0.000 1.223 343 I HN 0.091 nan 8.210 nan 0.000 0.435 344 L N 7.107 128.348 121.223 0.031 0.000 2.283 344 L HA 0.217 4.547 4.340 -0.015 0.000 0.287 344 L C -0.029 176.789 176.870 -0.087 0.000 1.073 344 L CA 0.452 55.301 54.840 0.014 0.000 0.822 344 L CB 0.149 42.275 42.059 0.112 0.000 1.186 344 L HN 0.506 nan 8.230 nan 0.000 0.436 345 Y N 3.172 123.351 120.300 -0.201 0.000 2.893 345 Y HA 0.315 4.855 4.550 -0.016 0.000 0.195 345 Y C 0.677 176.425 175.900 -0.253 0.000 0.964 345 Y CA 0.375 58.320 58.100 -0.258 0.000 1.596 345 Y CB 0.636 38.987 38.460 -0.182 0.000 1.247 345 Y HN 0.282 nan 8.280 nan 0.000 0.464 346 K N 1.408 121.523 120.400 -0.473 0.000 3.000 346 K HA 0.326 4.637 4.320 -0.015 0.000 0.239 346 K C 0.314 176.783 176.600 -0.219 0.000 1.269 346 K CA 0.452 56.442 56.287 -0.495 0.000 1.220 346 K CB -0.159 32.019 32.500 -0.537 0.000 1.645 346 K HN 0.809 nan 8.250 nan 0.000 0.423 347 G N 1.726 110.434 108.800 -0.153 0.000 2.159 347 G HA2 -0.291 3.659 3.960 -0.015 0.000 0.256 347 G HA3 -0.291 3.659 3.960 -0.015 0.000 0.256 347 G C -0.106 174.782 174.900 -0.020 0.000 0.977 347 G CA 0.706 45.770 45.100 -0.060 0.000 0.652 347 G HN 0.543 nan 8.290 nan 0.000 0.531 348 E N -0.629 119.562 120.200 -0.015 0.000 2.367 348 E HA 0.700 5.041 4.350 -0.015 0.000 0.273 348 E C -0.882 175.744 176.600 0.044 0.000 0.903 348 E CA -0.840 55.573 56.400 0.021 0.000 0.764 348 E CB 1.465 31.179 29.700 0.023 0.000 1.252 348 E HN -0.009 nan 8.360 nan 0.000 0.446 349 T N 2.790 117.378 114.554 0.057 0.000 2.733 349 T HA 0.368 4.709 4.350 -0.015 0.000 0.294 349 T C -0.061 174.686 174.700 0.078 0.000 0.956 349 T CA -0.398 61.745 62.100 0.073 0.000 0.987 349 T CB -0.008 68.907 68.868 0.080 0.000 0.920 349 T HN 0.324 nan 8.240 nan 0.000 0.470 350 I N 3.988 124.602 120.570 0.072 0.000 2.312 350 I HA 0.221 4.382 4.170 -0.015 0.000 0.290 350 I C 0.767 176.931 176.117 0.079 0.000 1.008 350 I CA -0.776 60.565 61.300 0.068 0.000 1.226 350 I CB 0.626 38.645 38.000 0.032 0.000 1.371 350 I HN 0.553 nan 8.210 nan 0.000 0.468 351 H N 7.541 126.620 119.070 0.015 0.000 2.610 351 H HA 0.434 4.981 4.556 -0.016 0.000 0.336 351 H C -0.838 174.495 175.328 0.010 0.000 1.087 351 H CA -0.202 55.855 56.048 0.014 0.000 1.405 351 H CB 1.263 31.035 29.762 0.017 0.000 1.460 351 H HN 0.484 nan 8.280 nan 0.000 0.538 352 I N 7.753 127.960 120.570 -0.604 0.000 2.362 352 I HA 0.165 4.326 4.170 -0.015 0.000 0.289 352 I C -1.700 174.103 176.117 -0.524 0.000 0.994 352 I CA -2.105 58.970 61.300 -0.375 0.000 1.158 352 I CB 2.300 40.162 38.000 -0.230 0.000 1.315 352 I HN 0.508 nan 8.210 nan 0.000 0.451 353 P HA 0.001 nan 4.420 nan 0.000 0.269 353 P C 0.918 178.210 177.300 -0.014 0.000 1.461 353 P CA 0.307 63.390 63.100 -0.028 0.000 0.809 353 P CB -0.125 31.604 31.700 0.049 0.000 1.503 354 T N 0.354 114.871 114.554 -0.062 0.000 2.607 354 T HA -0.165 4.176 4.350 -0.015 0.000 0.267 354 T C 1.876 176.578 174.700 0.002 0.000 1.049 354 T CA 1.504 63.594 62.100 -0.016 0.000 1.162 354 T CB -0.433 68.412 68.868 -0.038 0.000 0.863 354 T HN 0.069 nan 8.240 nan 0.000 0.424 355 M N 1.792 121.396 119.600 0.007 0.000 2.213 355 M HA -0.046 4.425 4.480 -0.015 0.000 0.263 355 M C 2.125 178.463 176.300 0.063 0.000 1.062 355 M CA 1.214 56.536 55.300 0.038 0.000 1.105 355 M CB -1.118 31.520 32.600 0.064 0.000 1.385 355 M HN 0.450 nan 8.290 nan 0.000 0.417 356 E N -1.177 119.071 120.200 0.079 0.000 2.502 356 E HA -0.031 4.310 4.350 -0.015 0.000 0.194 356 E C 0.406 177.041 176.600 0.058 0.000 1.062 356 E CA 0.356 56.800 56.400 0.073 0.000 0.867 356 E CB -0.609 29.142 29.700 0.086 0.000 0.888 356 E HN 0.484 nan 8.360 nan 0.000 0.510 357 N N 0.428 119.160 118.700 0.054 0.000 2.238 357 N HA 0.127 4.857 4.740 -0.015 0.000 0.222 357 N C 0.699 176.247 175.510 0.063 0.000 1.133 357 N CA 0.706 53.788 53.050 0.054 0.000 0.854 357 N CB 1.513 40.032 38.487 0.052 0.000 1.041 357 N HN 0.432 nan 8.380 nan 0.000 0.510 358 G N 1.399 110.235 108.800 0.060 0.000 2.163 358 G HA2 -0.168 3.782 3.960 -0.015 0.000 0.207 358 G HA3 -0.168 3.782 3.960 -0.015 0.000 0.207 358 G C -2.433 172.516 174.900 0.081 0.000 2.263 358 G CA -0.591 44.549 45.100 0.067 0.000 1.616 358 G HN 0.216 nan 8.290 nan 0.000 0.521 359 P HA 0.365 nan 4.420 nan 0.000 0.279 359 P C 0.453 177.779 177.300 0.043 0.000 1.318 359 P CA 0.045 63.156 63.100 0.017 0.000 0.819 359 P CB 1.547 33.179 31.700 -0.113 0.000 0.927 360 K N 1.665 122.107 120.400 0.070 0.000 2.001 360 K HA -0.189 4.122 4.320 -0.015 0.000 0.214 360 K C 1.776 178.382 176.600 0.009 0.000 1.050 360 K CA 1.329 57.649 56.287 0.056 0.000 0.934 360 K CB -0.391 32.159 32.500 0.083 0.000 0.718 360 K HN 0.263 nan 8.250 nan 0.000 0.443 361 L N 0.751 121.969 121.223 -0.009 0.000 2.072 361 L HA -0.055 4.276 4.340 -0.015 0.000 0.205 361 L C 2.177 178.942 176.870 -0.175 0.000 1.079 361 L CA 1.656 56.417 54.840 -0.131 0.000 0.752 361 L CB -0.624 41.192 42.059 -0.405 0.000 0.906 361 L HN 0.154 nan 8.230 nan 0.000 0.436 362 A N -1.331 121.334 122.820 -0.259 0.000 1.883 362 A HA -0.216 4.095 4.320 -0.015 0.000 0.217 362 A C 2.390 179.900 177.584 -0.123 0.000 1.186 362 A CA 2.172 53.908 52.037 -0.502 0.000 0.624 362 A CB -1.010 17.624 19.000 -0.611 0.000 0.822 362 A HN 0.522 nan 8.150 nan 0.000 0.444 363 S N -0.921 114.817 115.700 0.063 0.000 2.348 363 S HA -0.176 4.285 4.470 -0.015 0.000 0.221 363 S C 2.094 176.730 174.600 0.060 0.000 1.033 363 S CA 1.365 59.670 58.200 0.176 0.000 1.010 363 S CB -0.384 62.916 63.200 0.166 0.000 0.891 363 S HN 0.662 nan 8.310 nan 0.000 0.442 364 R N 0.916 121.422 120.500 0.009 0.000 2.096 364 R HA -0.099 4.232 4.340 -0.015 0.000 0.240 364 R C 2.200 178.565 176.300 0.108 0.000 1.139 364 R CA 1.616 57.710 56.100 -0.009 0.000 0.952 364 R CB -0.470 29.748 30.300 -0.136 0.000 0.854 364 R HN 0.382 nan 8.270 nan 0.000 0.436 365 I N 0.704 121.347 120.570 0.122 0.000 2.179 365 I HA -0.298 3.862 4.170 -0.015 0.000 0.242 365 I C 2.378 178.541 176.117 0.078 0.000 1.088 365 I CA 0.830 62.227 61.300 0.162 0.000 1.357 365 I CB -0.306 37.677 38.000 -0.027 0.000 1.051 365 I HN 0.281 nan 8.210 nan 0.000 0.409 366 L N 0.243 121.486 121.223 0.034 0.000 2.042 366 L HA -0.234 4.097 4.340 -0.015 0.000 0.210 366 L C 2.636 179.528 176.870 0.037 0.000 1.076 366 L CA 2.180 57.045 54.840 0.041 0.000 0.749 366 L CB -0.822 41.290 42.059 0.087 0.000 0.893 366 L HN 0.201 nan 8.230 nan 0.000 0.432 367 S N -0.852 114.874 115.700 0.043 0.000 2.359 367 S HA -0.270 4.191 4.470 -0.015 0.000 0.224 367 S C 2.168 176.807 174.600 0.065 0.000 1.035 367 S CA 1.689 59.911 58.200 0.037 0.000 1.018 367 S CB -0.366 62.850 63.200 0.027 0.000 0.876 367 S HN 0.502 nan 8.310 nan 0.000 0.448 368 K N 1.224 121.694 120.400 0.116 0.000 1.991 368 K HA 0.016 4.327 4.320 -0.015 0.000 0.212 368 K C 2.097 178.755 176.600 0.096 0.000 1.049 368 K CA 1.897 58.273 56.287 0.147 0.000 0.932 368 K CB -0.940 31.726 32.500 0.276 0.000 0.717 368 K HN 0.470 nan 8.250 nan 0.000 0.441 369 L N 0.498 121.770 121.223 0.081 0.000 2.012 369 L HA -0.236 4.094 4.340 -0.015 0.000 0.210 369 L C 2.510 179.320 176.870 -0.101 0.000 1.073 369 L CA 2.113 56.958 54.840 0.009 0.000 0.748 369 L CB -1.285 40.748 42.059 -0.044 0.000 0.891 369 L HN 0.492 nan 8.230 nan 0.000 0.431 370 T N -4.043 110.488 114.554 -0.040 0.000 2.821 370 T HA -0.172 4.168 4.350 -0.015 0.000 0.267 370 T C 1.483 176.225 174.700 0.070 0.000 1.046 370 T CA 1.300 63.410 62.100 0.018 0.000 1.139 370 T CB -0.387 68.562 68.868 0.135 0.000 0.871 370 T HN 0.193 nan 8.240 nan 0.000 0.454 371 D N 1.327 121.759 120.400 0.053 0.000 2.144 371 D HA 0.026 4.657 4.640 -0.015 0.000 0.199 371 D C 1.991 178.309 176.300 0.030 0.000 0.984 371 D CA 0.784 54.819 54.000 0.058 0.000 0.834 371 D CB -0.315 40.513 40.800 0.046 0.000 0.955 371 D HN 0.467 nan 8.370 nan 0.000 0.465 372 I N 0.465 121.038 120.570 0.005 0.000 2.286 372 I HA -0.220 3.941 4.170 -0.015 0.000 0.245 372 I C 2.350 178.432 176.117 -0.060 0.000 1.104 372 I CA 0.823 62.136 61.300 0.022 0.000 1.397 372 I CB -0.121 37.964 38.000 0.142 0.000 1.072 372 I HN -0.049 nan 8.210 nan 0.000 0.417 373 Q N -0.106 119.504 119.800 -0.317 0.000 2.079 373 Q HA -0.174 4.157 4.340 -0.015 0.000 0.200 373 Q C 1.354 176.955 176.000 -0.664 0.000 0.974 373 Q CA 1.581 56.886 55.803 -0.829 0.000 0.840 373 Q CB -0.111 27.470 28.738 -1.927 0.000 0.898 373 Q HN 0.546 nan 8.270 nan 0.000 0.430 374 Y N -0.573 119.600 120.300 -0.212 0.000 2.462 374 Y HA 0.196 4.733 4.550 -0.023 0.000 0.293 374 Y C 1.345 177.243 175.900 -0.004 0.000 1.195 374 Y CA 0.255 58.333 58.100 -0.037 0.000 1.276 374 Y CB 0.466 38.927 38.460 0.001 0.000 1.082 374 Y HN 0.245 nan 8.280 nan 0.000 0.514 375 G N 0.489 109.331 108.800 0.070 0.000 2.168 375 G HA2 -0.379 3.572 3.960 -0.015 0.000 0.263 375 G HA3 -0.379 3.572 3.960 -0.015 0.000 0.263 375 G C 1.354 176.290 174.900 0.060 0.000 0.977 375 G CA 0.493 45.631 45.100 0.063 0.000 0.659 375 G HN 0.466 nan 8.290 nan 0.000 0.533 376 R N 0.252 120.793 120.500 0.069 0.000 2.237 376 R HA 0.080 4.411 4.340 -0.015 0.000 0.219 376 R C 0.983 177.300 176.300 0.028 0.000 1.080 376 R CA 1.266 57.395 56.100 0.047 0.000 0.995 376 R CB 0.187 30.515 30.300 0.047 0.000 0.875 376 R HN 0.652 nan 8.270 nan 0.000 0.462 377 E N 0.144 120.357 120.200 0.022 0.000 2.292 377 E HA 0.252 4.593 4.350 -0.015 0.000 0.272 377 E C -1.559 175.036 176.600 -0.008 0.000 0.881 377 E CA -0.185 56.216 56.400 0.002 0.000 0.754 377 E CB 1.652 31.349 29.700 -0.004 0.000 1.201 377 E HN 0.103 nan 8.360 nan 0.000 0.425 378 E N 3.658 123.845 120.200 -0.021 0.000 2.167 378 E HA 0.449 4.790 4.350 -0.015 0.000 0.284 378 E C -0.696 175.864 176.600 -0.067 0.000 1.016 378 E CA -0.480 55.904 56.400 -0.027 0.000 0.817 378 E CB 1.460 31.148 29.700 -0.021 0.000 1.080 378 E HN 0.516 nan 8.360 nan 0.000 0.397 379 R N 1.178 121.633 120.500 -0.074 0.000 2.680 379 R HA 0.206 4.536 4.340 -0.015 0.000 0.269 379 R C -0.194 176.043 176.300 -0.105 0.000 1.026 379 R CA -0.088 55.917 56.100 -0.157 0.000 0.889 379 R CB 1.514 31.641 30.300 -0.288 0.000 1.241 379 R HN 0.734 nan 8.270 nan 0.000 0.463 380 D N 1.953 122.269 120.400 -0.140 0.000 2.384 380 D HA -0.164 4.467 4.640 -0.015 0.000 0.222 380 D C 0.452 176.807 176.300 0.092 0.000 0.976 380 D CA 0.575 54.555 54.000 -0.033 0.000 0.915 380 D CB 0.131 40.914 40.800 -0.029 0.000 0.896 380 D HN 0.481 nan 8.370 nan 0.000 0.523 381 W N 2.088 123.301 121.300 -0.146 0.000 3.077 381 W HA 0.130 4.781 4.660 -0.016 0.000 0.245 381 W C 0.649 176.980 176.519 -0.314 0.000 1.316 381 W CA -0.019 57.139 57.345 -0.312 0.000 1.537 381 W CB -0.808 28.429 29.460 -0.373 0.000 1.131 381 W HN -0.026 nan 8.180 nan 0.000 0.695 382 T N -1.436 113.166 114.554 0.079 0.000 2.876 382 T HA 0.655 4.996 4.350 -0.015 0.000 0.289 382 T C -0.702 174.027 174.700 0.049 0.000 1.014 382 T CA -0.690 61.459 62.100 0.081 0.000 0.986 382 T CB 2.497 71.437 68.868 0.121 0.000 1.021 382 T HN -0.270 nan 8.240 nan 0.000 0.458 383 I N 3.004 123.606 120.570 0.053 0.000 2.406 383 I HA 0.418 4.579 4.170 -0.015 0.000 0.290 383 I C 0.166 176.314 176.117 0.051 0.000 0.999 383 I CA -1.233 60.090 61.300 0.038 0.000 1.124 383 I CB 1.574 39.588 38.000 0.024 0.000 1.289 383 I HN 0.562 nan 8.210 nan 0.000 0.441 384 V N 6.543 126.482 119.914 0.042 0.000 2.785 384 V HA 0.404 4.515 4.120 -0.015 0.000 0.300 384 V C 0.837 176.954 176.094 0.039 0.000 1.062 384 V CA -0.581 61.746 62.300 0.045 0.000 1.029 384 V CB 1.298 33.144 31.823 0.038 0.000 1.024 384 V HN 0.672 nan 8.190 nan 0.000 0.477 385 L N 0.000 121.248 121.223 0.042 0.000 2.949 385 L HA 0.000 4.331 4.340 -0.015 0.000 0.249 385 L CA 0.000 54.861 54.840 0.036 0.000 0.813 385 L CB 0.000 42.078 42.059 0.031 0.000 0.961 385 L HN 0.000 nan 8.230 nan 0.000 0.502