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 3go2_1_A DATA FIRST_RESID 0 DATA SEQUENCE SLKVVSVDTL CCDAGWRNYH FVKLTTDEGI VGWSEFDEGF GSPGVTAVIE DATA SEQUENCE QLGKRLVGAS VMEHERFFAE AYCLTRPATG GVVSEGIGAI ENALLDAKAK DATA SEQUENCE TLNVPCYELL GGKLRDRVPV YWSHCPTWRI NHPKFFGPPV TDLDGVKRTA DATA SEQUENCE EEARERQFRA IKTNIFIHDD GPLHAWRPGF AVPFQPALNV DRKVLRNLRA DATA SEQUENCE HLEALRDGAG PDVEILLDLN FNAKPEGYLK ILRELADFDL FWVEIDSYSP DATA SEQUENCE QGLAYVRNHS PHPISSCETL FGIREFKPFF DANAVDVAIV DTIWNGVWQS DATA SEQUENCE MKIAAFADAH DINVAPHNFY GHLCTMINAN FAAAVPNLRI METDIDRLAW DATA SEQUENCE EDELFTHAPE YQNGELIIPD RPGWGTDPVE EAILAHPP 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.588 174.600 -0.021 0.000 1.055 0 S CA 0.000 58.190 58.200 -0.016 0.000 1.107 0 S CB 0.000 63.191 63.200 -0.015 0.000 0.593 1 L N 0.543 121.753 121.223 -0.021 0.000 2.791 1 L HA 0.363 4.704 4.340 0.001 0.000 0.239 1 L C 0.378 177.232 176.870 -0.028 0.000 1.203 1 L CA -0.273 54.551 54.840 -0.026 0.000 1.002 1 L CB -0.223 41.821 42.059 -0.025 0.000 1.295 1 L HN 0.499 nan 8.230 nan 0.000 0.504 2 K N 0.583 120.967 120.400 -0.026 0.000 2.295 2 K HA 0.249 4.570 4.320 0.001 0.000 0.270 2 K C -0.184 176.394 176.600 -0.037 0.000 1.011 2 K CA -0.404 55.867 56.287 -0.027 0.000 0.953 2 K CB 1.737 34.225 32.500 -0.021 0.000 0.956 2 K HN -0.147 nan 8.250 nan 0.000 0.477 3 V N 3.552 123.440 119.914 -0.043 0.000 2.521 3 V HA -0.044 4.076 4.120 0.001 0.000 0.286 3 V C 1.083 177.148 176.094 -0.049 0.000 1.034 3 V CA 0.107 62.372 62.300 -0.058 0.000 1.045 3 V CB 1.210 32.989 31.823 -0.073 0.000 0.974 3 V HN 0.652 nan 8.190 nan 0.000 0.480 4 V N 3.548 123.430 119.914 -0.054 0.000 3.085 4 V HA 0.140 4.260 4.120 0.001 0.000 0.245 4 V C 0.730 176.795 176.094 -0.048 0.000 1.114 4 V CA 1.224 63.497 62.300 -0.045 0.000 1.108 4 V CB 0.798 32.596 31.823 -0.042 0.000 0.798 4 V HN 0.972 nan 8.190 nan 0.000 0.471 5 S N -1.104 114.558 115.700 -0.063 0.000 2.547 5 S HA 0.713 5.183 4.470 0.001 0.000 0.270 5 S C -1.354 173.196 174.600 -0.083 0.000 1.150 5 S CA -0.609 57.553 58.200 -0.063 0.000 0.850 5 S CB 2.351 65.517 63.200 -0.057 0.000 1.118 5 S HN -0.111 nan 8.310 nan 0.000 0.461 6 V N 2.417 122.290 119.914 -0.068 0.000 2.447 6 V HA 0.551 4.672 4.120 0.001 0.000 0.292 6 V C -1.287 174.786 176.094 -0.035 0.000 1.021 6 V CA -0.515 61.742 62.300 -0.072 0.000 0.850 6 V CB 1.453 33.229 31.823 -0.079 0.000 1.005 6 V HN 0.974 nan 8.190 nan 0.000 0.426 7 D N 2.383 122.767 120.400 -0.028 0.000 2.350 7 D HA 0.694 5.334 4.640 0.001 0.000 0.238 7 D C -0.105 176.255 176.300 0.100 0.000 0.989 7 D CA -0.207 53.808 54.000 0.025 0.000 0.921 7 D CB 2.700 43.505 40.800 0.008 0.000 1.297 7 D HN 0.628 nan 8.370 nan 0.000 0.490 8 T N -1.295 113.355 114.554 0.160 0.000 2.887 8 T HA 0.743 5.093 4.350 0.001 0.000 0.288 8 T C -0.580 174.290 174.700 0.282 0.000 1.021 8 T CA -0.724 61.548 62.100 0.287 0.000 1.000 8 T CB 1.194 70.263 68.868 0.335 0.000 1.034 8 T HN 0.097 nan 8.240 nan 0.000 0.467 9 L N 1.106 122.549 121.223 0.367 0.000 2.350 9 L HA 0.839 5.179 4.340 0.001 0.000 0.260 9 L C -0.432 176.585 176.870 0.245 0.000 1.015 9 L CA -0.651 54.377 54.840 0.313 0.000 0.821 9 L CB 2.168 44.461 42.059 0.390 0.000 1.370 9 L HN 1.109 nan 8.230 nan 0.000 0.416 10 C N 1.309 120.677 119.300 0.113 0.000 2.880 10 C HA 0.906 5.367 4.460 0.001 0.000 0.320 10 C C -0.662 174.293 174.990 -0.057 0.000 1.176 10 C CA -0.751 58.190 59.018 -0.129 0.000 1.390 10 C CB 0.206 27.793 27.740 -0.254 0.000 1.846 10 C HN 1.135 nan 8.230 nan 0.000 0.478 11 C N 2.977 122.221 119.300 -0.094 0.000 3.171 11 C HA 0.790 5.251 4.460 0.001 0.000 0.308 11 C C -0.475 174.423 174.990 -0.153 0.000 1.334 11 C CA -0.534 58.457 59.018 -0.045 0.000 1.473 11 C CB 0.980 28.773 27.740 0.087 0.000 1.866 11 C HN 0.931 nan 8.230 nan 0.000 0.465 12 D N 0.624 120.956 120.400 -0.114 0.000 2.425 12 D HA 0.461 5.101 4.640 0.001 0.000 0.247 12 D C 0.567 176.764 176.300 -0.172 0.000 1.147 12 D CA 0.628 54.532 54.000 -0.159 0.000 0.879 12 D CB 1.086 41.810 40.800 -0.127 0.000 1.179 12 D HN 1.000 nan 8.370 nan 0.000 0.456 13 A N 2.880 125.441 122.820 -0.431 0.000 2.643 13 A HA 0.621 4.941 4.320 0.001 0.000 0.295 13 A C 1.187 178.308 177.584 -0.772 0.000 1.065 13 A CA 0.446 52.042 52.037 -0.734 0.000 0.986 13 A CB -0.258 17.855 19.000 -1.479 0.000 1.212 13 A HN 0.899 nan 8.150 nan 0.000 0.516 14 G N 0.402 108.881 108.800 -0.535 0.000 5.259 14 G HA2 -0.333 3.628 3.960 0.001 0.000 0.288 14 G HA3 -0.333 3.628 3.960 0.001 0.000 0.288 14 G C 0.958 175.417 174.900 -0.734 0.000 1.534 14 G CA 0.541 44.932 45.100 -1.181 0.000 1.031 14 G HN 1.204 nan 8.290 nan 0.000 0.724 15 W N 3.086 123.925 121.300 -0.769 0.000 3.132 15 W HA 0.577 5.237 4.660 0.001 0.000 0.364 15 W C 0.692 177.057 176.519 -0.257 0.000 1.129 15 W CA 0.577 57.716 57.345 -0.342 0.000 1.815 15 W CB -0.304 28.911 29.460 -0.409 0.000 1.099 15 W HN 0.858 nan 8.180 nan 0.000 0.605 16 R N 0.487 120.502 120.500 -0.809 0.000 2.756 16 R HA 0.446 4.786 4.340 0.001 0.000 0.273 16 R C -1.072 174.881 176.300 -0.578 0.000 1.030 16 R CA -0.895 54.794 56.100 -0.686 0.000 0.887 16 R CB 0.203 29.864 30.300 -1.066 0.000 1.274 16 R HN -0.290 nan 8.270 nan 0.000 0.461 17 N N -0.387 118.066 118.700 -0.413 0.000 2.432 17 N HA 0.402 5.143 4.740 0.001 0.000 0.292 17 N C -1.327 173.963 175.510 -0.367 0.000 1.193 17 N CA -0.402 52.391 53.050 -0.428 0.000 0.878 17 N CB 0.828 39.073 38.487 -0.403 0.000 1.252 17 N HN 0.330 nan 8.380 nan 0.000 0.520 18 Y N 0.189 120.213 120.300 -0.460 0.000 2.387 18 Y HA 0.378 4.929 4.550 0.001 0.000 0.330 18 Y C 0.673 176.014 175.900 -0.931 0.000 1.133 18 Y CA -0.249 57.506 58.100 -0.575 0.000 1.152 18 Y CB 0.776 38.971 38.460 -0.443 0.000 1.215 18 Y HN 0.267 nan 8.280 nan 0.000 0.466 19 H N 2.177 120.681 119.070 -0.943 0.000 2.747 19 H HA 0.530 5.086 4.556 0.001 0.000 0.371 19 H C -1.559 172.939 175.328 -1.383 0.000 1.161 19 H CA -0.737 54.612 56.048 -1.166 0.000 1.167 19 H CB 2.145 30.836 29.762 -1.786 0.000 1.732 19 H HN 0.452 nan 8.280 nan 0.000 0.544 20 F N 0.060 120.009 119.950 -0.002 0.000 2.588 20 F HA 0.324 4.852 4.527 0.002 0.000 0.310 20 F C -0.214 175.916 175.800 0.551 0.000 1.082 20 F CA -0.926 57.271 58.000 0.328 0.000 0.929 20 F CB 1.705 40.925 39.000 0.367 0.000 1.254 20 F HN 0.103 nan 8.300 nan 0.000 0.455 21 V N 2.268 122.610 119.914 0.714 0.000 2.427 21 V HA 0.432 4.553 4.120 0.001 0.000 0.286 21 V C -0.418 175.837 176.094 0.268 0.000 1.034 21 V CA -0.952 61.599 62.300 0.418 0.000 0.893 21 V CB 1.670 33.643 31.823 0.249 0.000 0.982 21 V HN 0.672 nan 8.190 nan 0.000 0.452 22 K N 5.225 125.608 120.400 -0.028 0.000 2.483 22 K HA 0.611 4.932 4.320 0.001 0.000 0.256 22 K C -1.559 174.833 176.600 -0.346 0.000 0.961 22 K CA -0.562 55.404 56.287 -0.535 0.000 0.873 22 K CB 1.542 33.616 32.500 -0.711 0.000 1.107 22 K HN 0.673 nan 8.250 nan 0.000 0.432 23 L N 3.646 124.657 121.223 -0.353 0.000 2.333 23 L HA 0.519 4.860 4.340 0.001 0.000 0.280 23 L C -1.202 175.529 176.870 -0.232 0.000 1.004 23 L CA -0.189 54.516 54.840 -0.224 0.000 0.820 23 L CB 2.056 44.017 42.059 -0.164 0.000 1.247 23 L HN 0.594 nan 8.230 nan 0.000 0.416 24 T N 2.172 116.622 114.554 -0.173 0.000 2.829 24 T HA 0.486 4.837 4.350 0.001 0.000 0.280 24 T C -0.058 174.582 174.700 -0.100 0.000 0.999 24 T CA -0.436 61.580 62.100 -0.140 0.000 0.983 24 T CB 1.597 70.393 68.868 -0.120 0.000 0.968 24 T HN 0.742 nan 8.240 nan 0.000 0.446 25 T N -0.975 113.529 114.554 -0.083 0.000 2.912 25 T HA 0.335 4.685 4.350 0.001 0.000 0.280 25 T C 1.006 175.677 174.700 -0.049 0.000 0.989 25 T CA -0.602 61.461 62.100 -0.063 0.000 0.995 25 T CB 1.172 70.005 68.868 -0.058 0.000 1.077 25 T HN 0.485 nan 8.240 nan 0.000 0.531 26 D N -0.357 120.019 120.400 -0.039 0.000 2.218 26 D HA -0.116 4.525 4.640 0.001 0.000 0.204 26 D C 1.650 177.934 176.300 -0.027 0.000 0.976 26 D CA 0.973 54.955 54.000 -0.031 0.000 0.853 26 D CB 0.081 40.865 40.800 -0.025 0.000 0.939 26 D HN 0.597 nan 8.370 nan 0.000 0.481 27 E N -0.790 119.393 120.200 -0.028 0.000 2.489 27 E HA 0.112 4.463 4.350 0.001 0.000 0.193 27 E C 1.515 178.101 176.600 -0.023 0.000 1.057 27 E CA 0.680 57.066 56.400 -0.024 0.000 0.866 27 E CB 0.486 30.172 29.700 -0.024 0.000 0.916 27 E HN 0.417 nan 8.360 nan 0.000 0.500 28 G N 1.591 110.373 108.800 -0.030 0.000 2.157 28 G HA2 -0.225 3.736 3.960 0.001 0.000 0.248 28 G HA3 -0.225 3.736 3.960 0.001 0.000 0.248 28 G C 0.343 175.225 174.900 -0.031 0.000 0.979 28 G CA -0.173 44.910 45.100 -0.029 0.000 0.650 28 G HN 0.185 nan 8.290 nan 0.000 0.529 29 I N 1.095 121.642 120.570 -0.038 0.000 2.588 29 I HA 0.307 4.478 4.170 0.001 0.000 0.283 29 I C 0.763 176.837 176.117 -0.072 0.000 1.119 29 I CA -0.140 61.135 61.300 -0.041 0.000 1.419 29 I CB 1.278 39.251 38.000 -0.045 0.000 1.394 29 I HN -0.102 nan 8.210 nan 0.000 0.562 30 V N 5.638 125.509 119.914 -0.072 0.000 2.409 30 V HA 0.553 4.673 4.120 0.001 0.000 0.291 30 V C 0.574 176.566 176.094 -0.169 0.000 1.020 30 V CA -0.617 61.576 62.300 -0.177 0.000 0.848 30 V CB 1.522 33.222 31.823 -0.204 0.000 0.990 30 V HN 0.932 nan 8.190 nan 0.000 0.430 31 G N 3.387 112.054 108.800 -0.221 0.000 2.371 31 G HA2 0.596 4.556 3.960 0.001 0.000 0.326 31 G HA3 0.596 4.556 3.960 0.001 0.000 0.326 31 G C -1.556 173.259 174.900 -0.141 0.000 1.127 31 G CA -0.409 44.633 45.100 -0.097 0.000 0.885 31 G HN 0.611 nan 8.290 nan 0.000 0.477 32 W N 0.797 122.214 121.300 0.195 0.000 2.844 32 W HA 0.606 5.266 4.660 -0.000 0.000 0.340 32 W C 0.376 177.132 176.519 0.394 0.000 1.093 32 W CA -0.567 56.939 57.345 0.269 0.000 1.212 32 W CB 2.631 32.245 29.460 0.257 0.000 1.422 32 W HN 0.775 nan 8.180 nan 0.000 0.515 33 S N 0.329 116.411 115.700 0.637 0.000 2.661 33 S HA 0.681 5.151 4.470 0.001 0.000 0.285 33 S C -1.223 173.672 174.600 0.493 0.000 1.138 33 S CA -1.045 57.435 58.200 0.466 0.000 0.855 33 S CB 2.370 65.779 63.200 0.347 0.000 1.136 33 S HN 0.542 nan 8.310 nan 0.000 0.484 34 E N 0.101 120.450 120.200 0.248 0.000 2.238 34 E HA 0.662 5.013 4.350 0.001 0.000 0.267 34 E C -1.357 175.238 176.600 -0.008 0.000 0.887 34 E CA -0.949 55.480 56.400 0.049 0.000 0.769 34 E CB 1.233 30.880 29.700 -0.089 0.000 1.187 34 E HN 0.644 nan 8.360 nan 0.000 0.416 35 F N 0.842 120.653 119.950 -0.231 0.000 2.706 35 F HA 0.703 5.230 4.527 0.001 0.000 0.328 35 F C -1.281 174.377 175.800 -0.236 0.000 1.123 35 F CA -1.052 56.812 58.000 -0.226 0.000 0.978 35 F CB 1.429 40.367 39.000 -0.104 0.000 1.404 35 F HN 0.364 nan 8.300 nan 0.000 0.497 36 D N -0.916 119.459 120.400 -0.042 0.000 2.819 36 D HA 0.359 5.000 4.640 0.001 0.000 0.232 36 D C -0.607 175.736 176.300 0.072 0.000 1.160 36 D CA -0.354 53.631 54.000 -0.026 0.000 0.858 36 D CB 2.358 43.218 40.800 0.099 0.000 1.610 36 D HN 0.704 nan 8.370 nan 0.000 0.481 37 E N 1.374 121.561 120.200 -0.022 0.000 2.485 37 E HA 0.154 4.504 4.350 0.001 0.000 0.213 37 E C 1.776 178.456 176.600 0.133 0.000 0.923 37 E CA 0.009 56.418 56.400 0.015 0.000 1.054 37 E CB 0.835 30.459 29.700 -0.127 0.000 1.077 37 E HN 0.593 nan 8.360 nan 0.000 0.509 38 G N 1.365 110.268 108.800 0.172 0.000 2.432 38 G HA2 -0.233 3.728 3.960 0.001 0.000 0.219 38 G HA3 -0.233 3.728 3.960 0.001 0.000 0.219 38 G C 0.636 175.745 174.900 0.349 0.000 1.135 38 G CA 0.119 45.339 45.100 0.199 0.000 0.767 38 G HN 0.161 nan 8.290 nan 0.000 0.550 39 F N 2.316 122.454 119.950 0.313 0.000 2.666 39 F HA 0.443 4.970 4.527 0.001 0.000 0.362 39 F C 1.438 177.435 175.800 0.328 0.000 1.190 39 F CA -0.706 57.529 58.000 0.392 0.000 1.328 39 F CB -0.325 39.091 39.000 0.693 0.000 1.682 39 F HN 0.220 nan 8.300 nan 0.000 0.623 40 G N 1.242 110.082 108.800 0.066 0.000 2.160 40 G HA2 -0.255 3.706 3.960 0.001 0.000 0.251 40 G HA3 -0.255 3.706 3.960 0.001 0.000 0.251 40 G C 0.416 175.340 174.900 0.040 0.000 1.008 40 G CA 0.402 45.478 45.100 -0.040 0.000 0.724 40 G HN 0.504 nan 8.290 nan 0.000 0.514 41 S N 1.567 117.318 115.700 0.085 0.000 2.272 41 S HA 0.395 4.865 4.470 0.001 0.000 0.207 41 S C -2.107 172.493 174.600 -0.001 0.000 1.336 41 S CA -0.643 57.569 58.200 0.021 0.000 1.259 41 S CB 1.928 65.138 63.200 0.018 0.000 1.130 41 S HN 0.467 nan 8.310 nan 0.000 0.444 42 P HA 0.271 nan 4.420 nan 0.000 0.268 42 P C 0.965 178.248 177.300 -0.029 0.000 1.205 42 P CA 0.930 64.027 63.100 -0.006 0.000 0.771 42 P CB 0.637 32.338 31.700 0.001 0.000 0.858 43 G N 1.154 109.939 108.800 -0.025 0.000 2.195 43 G HA2 -0.279 3.682 3.960 0.001 0.000 0.224 43 G HA3 -0.279 3.682 3.960 0.001 0.000 0.224 43 G C 0.832 175.699 174.900 -0.056 0.000 0.990 43 G CA 0.114 45.193 45.100 -0.036 0.000 0.639 43 G HN 0.356 nan 8.290 nan 0.000 0.514 44 V N 1.244 121.119 119.914 -0.065 0.000 2.332 44 V HA -0.204 3.917 4.120 0.001 0.000 0.248 44 V C 2.947 178.951 176.094 -0.151 0.000 1.055 44 V CA 3.108 65.334 62.300 -0.123 0.000 1.038 44 V CB -1.156 30.607 31.823 -0.099 0.000 0.651 44 V HN 0.519 nan 8.190 nan 0.000 0.450 45 T N 0.538 115.093 114.554 0.002 0.000 2.720 45 T HA -0.201 4.149 4.350 0.001 0.000 0.268 45 T C 2.065 176.763 174.700 -0.003 0.000 1.037 45 T CA 1.718 63.854 62.100 0.061 0.000 1.144 45 T CB -0.461 68.533 68.868 0.209 0.000 0.864 45 T HN 0.598 nan 8.240 nan 0.000 0.444 46 A N 0.951 123.766 122.820 -0.009 0.000 1.902 46 A HA -0.028 4.292 4.320 0.001 0.000 0.217 46 A C 2.597 180.158 177.584 -0.039 0.000 1.181 46 A CA 1.274 53.302 52.037 -0.015 0.000 0.623 46 A CB -0.976 18.015 19.000 -0.014 0.000 0.818 46 A HN 0.358 nan 8.150 nan 0.000 0.443 47 V N 0.276 120.149 119.914 -0.068 0.000 2.255 47 V HA -0.302 3.819 4.120 0.001 0.000 0.247 47 V C 2.427 178.479 176.094 -0.069 0.000 1.051 47 V CA 2.204 64.458 62.300 -0.077 0.000 1.018 47 V CB -0.743 31.016 31.823 -0.107 0.000 0.641 47 V HN 0.583 nan 8.190 nan 0.000 0.445 48 I N -0.388 120.113 120.570 -0.115 0.000 2.226 48 I HA -0.197 3.974 4.170 0.001 0.000 0.245 48 I C 2.673 178.763 176.117 -0.044 0.000 1.100 48 I CA 1.333 62.568 61.300 -0.109 0.000 1.374 48 I CB -0.450 37.409 38.000 -0.235 0.000 1.057 48 I HN 0.310 nan 8.210 nan 0.000 0.413 49 E N 0.528 120.711 120.200 -0.027 0.000 2.118 49 E HA -0.227 4.124 4.350 0.001 0.000 0.195 49 E C 2.207 178.806 176.600 -0.002 0.000 0.992 49 E CA 1.130 57.529 56.400 -0.002 0.000 0.804 49 E CB -0.216 29.491 29.700 0.012 0.000 0.741 49 E HN 0.530 nan 8.360 nan 0.000 0.458 50 Q N 0.195 119.991 119.800 -0.006 0.000 2.049 50 Q HA -0.008 4.332 4.340 0.001 0.000 0.198 50 Q C 2.597 178.607 176.000 0.016 0.000 0.971 50 Q CA 0.669 56.471 55.803 -0.002 0.000 0.833 50 Q CB -0.359 28.370 28.738 -0.014 0.000 0.896 50 Q HN 0.324 nan 8.270 nan 0.000 0.434 51 L N -0.133 121.110 121.223 0.033 0.000 2.083 51 L HA -0.107 4.234 4.340 0.001 0.000 0.209 51 L C 2.316 179.259 176.870 0.120 0.000 1.083 51 L CA 1.139 56.042 54.840 0.104 0.000 0.752 51 L CB -0.788 41.373 42.059 0.170 0.000 0.899 51 L HN 0.288 nan 8.230 nan 0.000 0.433 52 G N -0.012 108.813 108.800 0.042 0.000 2.432 52 G HA2 -0.232 3.728 3.960 0.001 0.000 0.219 52 G HA3 -0.232 3.728 3.960 0.001 0.000 0.219 52 G C 1.653 176.553 174.900 -0.001 0.000 1.135 52 G CA 0.434 45.528 45.100 -0.011 0.000 0.767 52 G HN 0.324 nan 8.290 nan 0.000 0.550 53 K N 0.011 120.418 120.400 0.012 0.000 2.147 53 K HA -0.034 4.286 4.320 0.001 0.000 0.205 53 K C 2.598 179.210 176.600 0.021 0.000 1.049 53 K CA 0.723 57.016 56.287 0.010 0.000 0.936 53 K CB -0.049 32.455 32.500 0.007 0.000 0.722 53 K HN 0.099 nan 8.250 nan 0.000 0.446 54 R N 0.441 120.969 120.500 0.047 0.000 2.153 54 R HA -0.021 4.320 4.340 0.001 0.000 0.218 54 R C 2.156 178.505 176.300 0.081 0.000 1.072 54 R CA 0.571 56.709 56.100 0.063 0.000 0.990 54 R CB -0.503 29.845 30.300 0.081 0.000 0.889 54 R HN 0.161 nan 8.270 nan 0.000 0.452 55 L N 1.068 122.338 121.223 0.077 0.000 2.179 55 L HA 0.051 4.391 4.340 0.001 0.000 0.208 55 L C 0.433 177.300 176.870 -0.005 0.000 1.096 55 L CA 0.817 55.680 54.840 0.039 0.000 0.779 55 L CB -0.001 41.993 42.059 -0.108 0.000 0.922 55 L HN -0.245 nan 8.230 nan 0.000 0.443 56 V N 1.502 121.407 119.914 -0.014 0.000 2.617 56 V HA 0.322 4.443 4.120 0.001 0.000 0.304 56 V C 1.522 177.610 176.094 -0.009 0.000 1.040 56 V CA 0.982 63.269 62.300 -0.022 0.000 1.149 56 V CB -0.058 31.753 31.823 -0.020 0.000 0.914 56 V HN 0.711 nan 8.190 nan 0.000 0.487 57 G N 3.479 112.270 108.800 -0.014 0.000 2.234 57 G HA2 -0.106 3.855 3.960 0.001 0.000 0.235 57 G HA3 -0.106 3.855 3.960 0.001 0.000 0.235 57 G C 0.412 175.310 174.900 -0.003 0.000 0.997 57 G CA 0.205 45.300 45.100 -0.008 0.000 0.623 57 G HN 1.446 nan 8.290 nan 0.000 0.514 58 A N 0.145 122.966 122.820 0.002 0.000 2.272 58 A HA 0.789 5.109 4.320 0.001 0.000 0.275 58 A C 0.908 178.491 177.584 -0.002 0.000 1.096 58 A CA 1.010 53.053 52.037 0.012 0.000 0.822 58 A CB 0.762 19.786 19.000 0.040 0.000 1.088 58 A HN 1.576 nan 8.150 nan 0.000 0.495 59 S N -0.302 115.399 115.700 0.001 0.000 2.531 59 S HA 0.129 4.600 4.470 0.001 0.000 0.279 59 S C 1.062 175.654 174.600 -0.014 0.000 1.305 59 S CA -0.002 58.192 58.200 -0.010 0.000 1.058 59 S CB 0.677 63.871 63.200 -0.010 0.000 0.899 59 S HN 1.232 nan 8.310 nan 0.000 0.493 60 V N 7.001 126.898 119.914 -0.028 0.000 2.720 60 V HA -0.118 4.003 4.120 0.001 0.000 0.256 60 V C 1.785 177.869 176.094 -0.016 0.000 1.082 60 V CA 1.718 63.997 62.300 -0.035 0.000 1.101 60 V CB -0.454 31.338 31.823 -0.050 0.000 0.693 60 V HN 0.905 nan 8.190 nan 0.000 0.479 61 M N -0.587 119.002 119.600 -0.019 0.000 2.419 61 M HA 0.079 4.559 4.480 0.001 0.000 0.264 61 M C 1.087 177.359 176.300 -0.047 0.000 1.082 61 M CA 0.830 56.117 55.300 -0.021 0.000 1.119 61 M CB -0.746 31.832 32.600 -0.036 0.000 1.398 61 M HN 0.396 nan 8.290 nan 0.000 0.453 62 E N 0.707 120.884 120.200 -0.039 0.000 2.280 62 E HA 0.059 4.410 4.350 0.001 0.000 0.279 62 E C 0.847 177.431 176.600 -0.026 0.000 1.325 62 E CA -0.174 56.181 56.400 -0.076 0.000 1.486 62 E CB -0.120 29.565 29.700 -0.024 0.000 1.466 62 E HN 0.527 nan 8.360 nan 0.000 0.473 63 H N -0.551 118.487 119.070 -0.053 0.000 2.395 63 H HA -0.049 4.507 4.556 0.000 0.000 0.299 63 H C 1.836 177.227 175.328 0.106 0.000 1.070 63 H CA 1.068 57.127 56.048 0.019 0.000 1.356 63 H CB 0.133 29.843 29.762 -0.087 0.000 1.401 63 H HN 0.194 nan 8.280 nan 0.000 0.524 64 E N 1.103 121.150 120.200 -0.255 0.000 2.208 64 E HA -0.105 4.245 4.350 0.001 0.000 0.193 64 E C 2.412 179.087 176.600 0.125 0.000 0.988 64 E CA 0.525 56.933 56.400 0.012 0.000 0.828 64 E CB -0.087 29.557 29.700 -0.094 0.000 0.763 64 E HN 0.458 nan 8.360 nan 0.000 0.478 65 R N -0.490 120.044 120.500 0.056 0.000 2.073 65 R HA -0.175 4.166 4.340 0.001 0.000 0.234 65 R C 2.225 178.598 176.300 0.121 0.000 1.134 65 R CA 1.639 57.786 56.100 0.080 0.000 0.952 65 R CB -0.620 29.711 30.300 0.051 0.000 0.850 65 R HN 0.353 nan 8.270 nan 0.000 0.433 66 F N 0.806 120.801 119.950 0.074 0.000 2.095 66 F HA -0.252 4.276 4.527 0.001 0.000 0.298 66 F C 1.945 177.818 175.800 0.120 0.000 1.104 66 F CA 1.693 59.744 58.000 0.085 0.000 1.232 66 F CB -0.771 38.285 39.000 0.094 0.000 0.987 66 F HN 0.076 nan 8.300 nan 0.000 0.475 67 F N 1.090 120.956 119.950 -0.139 0.000 2.095 67 F HA -0.123 4.405 4.527 0.001 0.000 0.298 67 F C 2.354 178.062 175.800 -0.152 0.000 1.104 67 F CA 1.860 59.742 58.000 -0.197 0.000 1.232 67 F CB -1.021 38.032 39.000 0.089 0.000 0.987 67 F HN 0.047 nan 8.300 nan 0.000 0.475 68 A N -0.267 122.562 122.820 0.016 0.000 1.902 68 A HA -0.242 4.078 4.320 0.001 0.000 0.217 68 A C 2.239 179.757 177.584 -0.110 0.000 1.181 68 A CA 1.840 53.879 52.037 0.003 0.000 0.623 68 A CB -1.014 18.046 19.000 0.099 0.000 0.818 68 A HN 0.594 nan 8.150 nan 0.000 0.443 69 E N -0.228 119.878 120.200 -0.156 0.000 2.072 69 E HA -0.075 4.275 4.350 0.001 0.000 0.191 69 E C 2.146 178.589 176.600 -0.262 0.000 0.985 69 E CA 0.916 57.219 56.400 -0.161 0.000 0.801 69 E CB -0.250 29.387 29.700 -0.105 0.000 0.750 69 E HN 0.518 nan 8.360 nan 0.000 0.452 70 A N 0.420 122.954 122.820 -0.476 0.000 1.902 70 A HA -0.213 4.108 4.320 0.001 0.000 0.217 70 A C 2.056 179.418 177.584 -0.370 0.000 1.181 70 A CA 1.502 53.237 52.037 -0.503 0.000 0.623 70 A CB -0.934 17.547 19.000 -0.866 0.000 0.818 70 A HN 0.572 nan 8.150 nan 0.000 0.443 71 Y N 0.263 120.214 120.300 -0.582 0.000 2.181 71 Y HA -0.267 4.284 4.550 0.001 0.000 0.288 71 Y C 2.591 178.330 175.900 -0.267 0.000 1.146 71 Y CA 1.234 59.056 58.100 -0.464 0.000 1.164 71 Y CB -0.908 37.220 38.460 -0.554 0.000 0.982 71 Y HN 0.399 nan 8.280 nan 0.000 0.515 72 C N 0.172 119.306 119.300 -0.276 0.000 2.413 72 C HA -0.202 4.259 4.460 0.001 0.000 0.276 72 C C 2.842 177.678 174.990 -0.256 0.000 1.236 72 C CA 1.373 60.229 59.018 -0.268 0.000 1.735 72 C CB -1.507 26.147 27.740 -0.143 0.000 2.031 72 C HN 0.572 nan 8.230 nan 0.000 0.474 73 L N 0.604 121.699 121.223 -0.213 0.000 2.201 73 L HA -0.073 4.267 4.340 0.001 0.000 0.212 73 L C 2.216 178.979 176.870 -0.177 0.000 1.105 73 L CA 1.910 56.649 54.840 -0.167 0.000 0.775 73 L CB -0.687 41.291 42.059 -0.136 0.000 0.913 73 L HN 0.571 nan 8.230 nan 0.000 0.440 74 T N -5.218 109.201 114.554 -0.225 0.000 3.132 74 T HA 0.134 4.485 4.350 0.001 0.000 0.274 74 T C 1.530 176.074 174.700 -0.260 0.000 1.011 74 T CA -0.477 61.501 62.100 -0.204 0.000 0.899 74 T CB 0.238 69.002 68.868 -0.173 0.000 1.089 74 T HN 0.060 nan 8.240 nan 0.000 0.543 75 R N 1.737 122.014 120.500 -0.370 0.000 2.113 75 R HA -0.075 4.266 4.340 0.001 0.000 0.244 75 R C -0.841 175.296 176.300 -0.270 0.000 1.142 75 R CA 2.110 57.921 56.100 -0.483 0.000 0.953 75 R CB -1.126 28.862 30.300 -0.520 0.000 0.860 75 R HN 0.374 nan 8.270 nan 0.000 0.438 76 P HA -0.078 nan 4.420 nan 0.000 0.218 76 P C -0.029 177.204 177.300 -0.111 0.000 1.149 76 P CA 1.448 64.471 63.100 -0.130 0.000 0.817 76 P CB 0.215 31.850 31.700 -0.108 0.000 0.785 77 A N -1.528 121.219 122.820 -0.122 0.000 2.701 77 A HA 0.258 4.579 4.320 0.001 0.000 0.297 77 A C 0.718 178.228 177.584 -0.124 0.000 1.197 77 A CA -0.102 51.870 52.037 -0.109 0.000 0.963 77 A CB -0.906 18.032 19.000 -0.102 0.000 1.175 77 A HN 0.043 nan 8.150 nan 0.000 0.531 78 T N 0.013 114.497 114.554 -0.117 0.000 2.802 78 T HA 0.481 4.831 4.350 0.001 0.000 0.305 78 T C 0.854 175.476 174.700 -0.129 0.000 1.053 78 T CA 1.535 63.579 62.100 -0.094 0.000 1.058 78 T CB 0.276 69.157 68.868 0.021 0.000 0.988 78 T HN 2.052 nan 8.240 nan 0.000 0.539 79 G N 0.703 109.364 108.800 -0.231 0.000 2.757 79 G HA2 0.361 4.321 3.960 0.001 0.000 0.638 79 G HA3 0.361 4.321 3.960 0.001 0.000 0.638 79 G C 0.604 175.074 174.900 -0.715 0.000 1.344 79 G CA -0.198 44.602 45.100 -0.500 0.000 0.855 79 G HN 2.038 nan 8.290 nan 0.000 0.537 80 G N -1.755 106.480 108.800 -0.941 0.000 2.614 80 G HA2 -0.013 3.948 3.960 0.001 0.000 0.303 80 G HA3 -0.013 3.948 3.960 0.001 0.000 0.303 80 G C 1.919 176.517 174.900 -0.504 0.000 1.270 80 G CA 2.802 47.615 45.100 -0.479 0.000 0.988 80 G HN 2.497 nan 8.290 nan 0.000 0.551 81 V N -1.633 118.098 119.914 -0.305 0.000 2.515 81 V HA -0.014 4.107 4.120 0.001 0.000 0.250 81 V C 2.877 178.831 176.094 -0.234 0.000 1.058 81 V CA 2.463 64.609 62.300 -0.258 0.000 1.064 81 V CB -0.952 30.767 31.823 -0.173 0.000 0.675 81 V HN 0.888 nan 8.190 nan 0.000 0.461 82 V N 1.046 120.824 119.914 -0.227 0.000 2.295 82 V HA -0.226 3.894 4.120 0.001 0.000 0.246 82 V C 2.888 178.875 176.094 -0.177 0.000 1.049 82 V CA 2.653 64.844 62.300 -0.182 0.000 1.024 82 V CB -0.795 30.927 31.823 -0.168 0.000 0.648 82 V HN 0.634 nan 8.190 nan 0.000 0.447 83 S N -0.838 114.690 115.700 -0.287 0.000 2.402 83 S HA -0.179 4.291 4.470 0.001 0.000 0.229 83 S C 1.869 176.482 174.600 0.022 0.000 1.021 83 S CA 1.236 59.325 58.200 -0.186 0.000 0.974 83 S CB -0.248 62.662 63.200 -0.483 0.000 0.800 83 S HN 0.678 nan 8.310 nan 0.000 0.484 84 E N 0.652 120.811 120.200 -0.070 0.000 2.110 84 E HA -0.093 4.258 4.350 0.001 0.000 0.193 84 E C 2.339 178.903 176.600 -0.060 0.000 0.988 84 E CA 0.907 57.299 56.400 -0.014 0.000 0.804 84 E CB -0.344 29.190 29.700 -0.275 0.000 0.745 84 E HN 0.564 nan 8.360 nan 0.000 0.458 85 G N 1.320 110.045 108.800 -0.124 0.000 2.402 85 G HA2 -0.220 3.741 3.960 0.001 0.000 0.216 85 G HA3 -0.220 3.741 3.960 0.001 0.000 0.216 85 G C 1.603 176.500 174.900 -0.004 0.000 1.162 85 G CA 0.422 45.426 45.100 -0.160 0.000 0.777 85 G HN 0.109 nan 8.290 nan 0.000 0.539 86 I N 1.284 121.908 120.570 0.091 0.000 2.226 86 I HA -0.105 4.066 4.170 0.001 0.000 0.245 86 I C 3.069 179.400 176.117 0.356 0.000 1.100 86 I CA 1.034 62.489 61.300 0.258 0.000 1.374 86 I CB -0.425 37.673 38.000 0.163 0.000 1.057 86 I HN 0.252 nan 8.210 nan 0.000 0.413 87 G N 0.440 109.417 108.800 0.294 0.000 2.418 87 G HA2 -0.233 3.727 3.960 0.001 0.000 0.217 87 G HA3 -0.233 3.727 3.960 0.001 0.000 0.217 87 G C 1.861 176.897 174.900 0.227 0.000 1.158 87 G CA 0.819 46.101 45.100 0.304 0.000 0.771 87 G HN 0.493 nan 8.290 nan 0.000 0.545 88 A N 0.711 123.608 122.820 0.129 0.000 1.902 88 A HA 0.065 4.385 4.320 0.001 0.000 0.217 88 A C 2.399 180.044 177.584 0.102 0.000 1.181 88 A CA 1.254 53.340 52.037 0.082 0.000 0.623 88 A CB -0.324 18.586 19.000 -0.149 0.000 0.818 88 A HN 0.383 nan 8.150 nan 0.000 0.443 89 I N -0.700 119.916 120.570 0.076 0.000 2.252 89 I HA -0.245 3.926 4.170 0.001 0.000 0.245 89 I C 2.530 178.673 176.117 0.044 0.000 1.102 89 I CA 1.697 62.995 61.300 -0.002 0.000 1.385 89 I CB -0.379 37.546 38.000 -0.124 0.000 1.064 89 I HN 0.549 nan 8.210 nan 0.000 0.414 90 E N 1.417 121.753 120.200 0.227 0.000 2.070 90 E HA -0.277 4.074 4.350 0.001 0.000 0.197 90 E C 1.879 178.608 176.600 0.214 0.000 1.004 90 E CA 1.687 58.243 56.400 0.260 0.000 0.805 90 E CB 0.039 29.961 29.700 0.369 0.000 0.744 90 E HN 0.413 nan 8.360 nan 0.000 0.451 91 N N 0.032 118.901 118.700 0.283 0.000 2.244 91 N HA -0.094 4.646 4.740 0.001 0.000 0.183 91 N C 1.461 177.274 175.510 0.506 0.000 1.016 91 N CA 1.157 54.482 53.050 0.458 0.000 0.866 91 N CB -0.255 38.424 38.487 0.320 0.000 0.980 91 N HN 0.282 nan 8.380 nan 0.000 0.430 92 A N 0.776 123.772 122.820 0.293 0.000 1.929 92 A HA 0.048 4.369 4.320 0.001 0.000 0.216 92 A C 2.336 179.956 177.584 0.061 0.000 1.176 92 A CA 0.542 52.707 52.037 0.212 0.000 0.628 92 A CB -0.528 18.540 19.000 0.112 0.000 0.816 92 A HN 0.167 nan 8.150 nan 0.000 0.444 93 L N -0.551 120.673 121.223 0.002 0.000 2.046 93 L HA -0.192 4.149 4.340 0.001 0.000 0.208 93 L C 2.552 179.353 176.870 -0.116 0.000 1.077 93 L CA 1.144 55.944 54.840 -0.066 0.000 0.747 93 L CB -0.492 41.533 42.059 -0.057 0.000 0.896 93 L HN 0.381 nan 8.230 nan 0.000 0.432 94 L N -0.600 120.541 121.223 -0.137 0.000 2.046 94 L HA -0.251 4.089 4.340 0.001 0.000 0.208 94 L C 2.282 178.903 176.870 -0.416 0.000 1.077 94 L CA 1.331 55.990 54.840 -0.302 0.000 0.747 94 L CB -0.567 41.355 42.059 -0.228 0.000 0.896 94 L HN 0.283 nan 8.230 nan 0.000 0.432 95 D N 0.080 120.224 120.400 -0.426 0.000 2.104 95 D HA -0.207 4.433 4.640 0.001 0.000 0.194 95 D C 2.140 178.290 176.300 -0.250 0.000 0.994 95 D CA 1.572 55.265 54.000 -0.512 0.000 0.830 95 D CB 0.098 40.778 40.800 -0.201 0.000 0.959 95 D HN 0.263 nan 8.370 nan 0.000 0.452 96 A N 0.245 122.976 122.820 -0.149 0.000 1.933 96 A HA -0.175 4.146 4.320 0.001 0.000 0.218 96 A C 2.146 179.661 177.584 -0.116 0.000 1.175 96 A CA 1.876 53.846 52.037 -0.112 0.000 0.628 96 A CB -0.601 18.340 19.000 -0.098 0.000 0.814 96 A HN 0.271 nan 8.150 nan 0.000 0.444 97 K N -0.311 120.010 120.400 -0.132 0.000 2.025 97 K HA -0.057 4.264 4.320 0.001 0.000 0.207 97 K C 2.169 178.692 176.600 -0.127 0.000 1.049 97 K CA 1.225 57.446 56.287 -0.109 0.000 0.933 97 K CB -0.349 32.096 32.500 -0.092 0.000 0.714 97 K HN 0.338 nan 8.250 nan 0.000 0.438 98 A N 1.392 124.097 122.820 -0.192 0.000 1.902 98 A HA -0.189 4.132 4.320 0.001 0.000 0.217 98 A C 1.929 179.423 177.584 -0.150 0.000 1.181 98 A CA 1.798 53.718 52.037 -0.196 0.000 0.623 98 A CB -0.400 18.417 19.000 -0.305 0.000 0.818 98 A HN 0.327 nan 8.150 nan 0.000 0.443 99 K N -0.925 119.391 120.400 -0.139 0.000 2.097 99 K HA -0.093 4.228 4.320 0.001 0.000 0.206 99 K C 2.071 178.632 176.600 -0.066 0.000 1.049 99 K CA 1.723 57.959 56.287 -0.086 0.000 0.933 99 K CB -0.367 32.097 32.500 -0.059 0.000 0.717 99 K HN 0.473 nan 8.250 nan 0.000 0.442 100 T N 1.556 116.069 114.554 -0.068 0.000 2.788 100 T HA -0.082 4.268 4.350 0.001 0.000 0.268 100 T C 1.520 176.192 174.700 -0.047 0.000 1.044 100 T CA 1.027 63.096 62.100 -0.052 0.000 1.139 100 T CB -0.033 68.804 68.868 -0.051 0.000 0.867 100 T HN 0.132 nan 8.240 nan 0.000 0.454 101 L N 0.788 121.977 121.223 -0.057 0.000 2.592 101 L HA 0.266 4.606 4.340 0.001 0.000 0.227 101 L C 0.765 177.605 176.870 -0.051 0.000 1.127 101 L CA -0.144 54.667 54.840 -0.048 0.000 0.884 101 L CB -0.481 41.549 42.059 -0.048 0.000 1.065 101 L HN 0.247 nan 8.230 nan 0.000 0.457 102 N N 0.581 119.246 118.700 -0.058 0.000 2.758 102 N HA -0.161 4.580 4.740 0.001 0.000 0.248 102 N C -0.728 174.738 175.510 -0.073 0.000 1.076 102 N CA 0.884 53.901 53.050 -0.056 0.000 0.696 102 N CB -0.925 37.541 38.487 -0.036 0.000 0.979 102 N HN 0.268 nan 8.380 nan 0.000 0.550 103 V N -3.683 116.167 119.914 -0.107 0.000 3.040 103 V HA 0.903 5.024 4.120 0.001 0.000 0.312 103 V C -2.482 173.475 176.094 -0.229 0.000 1.115 103 V CA -2.140 60.071 62.300 -0.149 0.000 0.998 103 V CB 2.273 34.017 31.823 -0.132 0.000 1.042 103 V HN -0.073 nan 8.190 nan 0.000 0.433 104 P HA 0.298 nan 4.420 nan 0.000 0.272 104 P C 0.658 177.668 177.300 -0.484 0.000 1.230 104 P CA -0.126 62.690 63.100 -0.473 0.000 0.788 104 P CB 0.677 31.852 31.700 -0.874 0.000 0.949 105 C N 0.558 119.632 119.300 -0.376 0.000 2.422 105 C HA -0.154 4.306 4.460 0.001 0.000 0.279 105 C C 2.483 177.420 174.990 -0.088 0.000 1.305 105 C CA 0.907 59.729 59.018 -0.327 0.000 1.757 105 C CB -1.972 25.403 27.740 -0.609 0.000 1.962 105 C HN 0.694 nan 8.230 nan 0.000 0.499 106 Y N 1.260 121.606 120.300 0.076 0.000 2.384 106 Y HA -0.063 4.488 4.550 0.002 0.000 0.289 106 Y C 1.925 177.867 175.900 0.071 0.000 1.152 106 Y CA 1.009 59.168 58.100 0.098 0.000 1.258 106 Y CB -1.218 37.294 38.460 0.088 0.000 0.979 106 Y HN 0.261 nan 8.280 nan 0.000 0.549 107 E N 0.944 121.148 120.200 0.006 0.000 2.338 107 E HA -0.039 4.312 4.350 0.001 0.000 0.197 107 E C 1.849 178.506 176.600 0.094 0.000 1.007 107 E CA 0.732 57.177 56.400 0.074 0.000 0.849 107 E CB -0.094 29.575 29.700 -0.052 0.000 0.774 107 E HN 0.632 nan 8.360 nan 0.000 0.506 108 L N -0.171 121.109 121.223 0.095 0.000 2.509 108 L HA 0.063 4.403 4.340 0.001 0.000 0.222 108 L C 1.710 178.790 176.870 0.350 0.000 1.123 108 L CA 0.254 55.202 54.840 0.179 0.000 0.856 108 L CB 0.044 42.170 42.059 0.112 0.000 0.985 108 L HN 0.016 nan 8.230 nan 0.000 0.456 109 L N -0.511 120.880 121.223 0.281 0.000 2.818 109 L HA 0.363 4.703 4.340 0.001 0.000 0.243 109 L C 1.133 178.079 176.870 0.127 0.000 1.185 109 L CA 0.351 55.335 54.840 0.240 0.000 0.988 109 L CB 0.238 42.441 42.059 0.242 0.000 1.292 109 L HN 0.344 nan 8.230 nan 0.000 0.519 110 G N -0.740 108.144 108.800 0.140 0.000 2.192 110 G HA2 -0.016 3.945 3.960 0.001 0.000 0.193 110 G HA3 -0.016 3.945 3.960 0.001 0.000 0.193 110 G C 0.564 175.518 174.900 0.090 0.000 0.999 110 G CA -0.243 44.908 45.100 0.086 0.000 0.659 110 G HN 0.776 nan 8.290 nan 0.000 0.503 111 G N -0.245 108.644 108.800 0.148 0.000 2.758 111 G HA2 0.300 4.260 3.960 0.001 0.000 0.686 111 G HA3 0.300 4.260 3.960 0.001 0.000 0.686 111 G C 0.003 174.952 174.900 0.081 0.000 1.389 111 G CA 0.492 45.694 45.100 0.170 0.000 0.845 111 G HN 1.768 nan 8.290 nan 0.000 0.572 112 K N -0.639 119.733 120.400 -0.047 0.000 2.202 112 K HA 0.628 4.949 4.320 0.001 0.000 0.264 112 K C 1.016 177.524 176.600 -0.153 0.000 1.010 112 K CA 0.029 56.145 56.287 -0.286 0.000 0.940 112 K CB 0.808 32.855 32.500 -0.754 0.000 0.983 112 K HN 1.176 nan 8.250 nan 0.000 0.475 113 L N -1.570 119.567 121.223 -0.143 0.000 3.135 113 L HA 0.373 4.714 4.340 0.001 0.000 0.279 113 L C -0.169 176.644 176.870 -0.095 0.000 1.200 113 L CA -0.289 54.494 54.840 -0.096 0.000 1.016 113 L CB -0.171 41.846 42.059 -0.069 0.000 1.391 113 L HN 0.829 nan 8.230 nan 0.000 0.588 114 R N -2.259 118.165 120.500 -0.126 0.000 2.710 114 R HA 0.546 4.886 4.340 0.001 0.000 0.270 114 R C -1.022 175.196 176.300 -0.136 0.000 1.021 114 R CA -0.659 55.380 56.100 -0.101 0.000 0.889 114 R CB 0.957 31.217 30.300 -0.068 0.000 1.243 114 R HN -0.206 nan 8.270 nan 0.000 0.464 115 D N 0.049 120.391 120.400 -0.097 0.000 2.355 115 D HA 0.175 4.815 4.640 0.001 0.000 0.206 115 D C -0.168 176.094 176.300 -0.063 0.000 1.010 115 D CA 0.575 54.520 54.000 -0.092 0.000 0.875 115 D CB 0.486 41.250 40.800 -0.060 0.000 0.966 115 D HN 0.287 nan 8.370 nan 0.000 0.512 116 R N -0.256 120.217 120.500 -0.045 0.000 2.740 116 R HA 0.636 4.977 4.340 0.001 0.000 0.273 116 R C -1.359 174.939 176.300 -0.003 0.000 0.998 116 R CA -0.773 55.315 56.100 -0.021 0.000 0.900 116 R CB 3.000 33.292 30.300 -0.014 0.000 1.223 116 R HN -0.265 nan 8.270 nan 0.000 0.466 117 V N 2.788 122.717 119.914 0.024 0.000 2.483 117 V HA 0.326 4.447 4.120 0.001 0.000 0.297 117 V C -2.372 173.770 176.094 0.080 0.000 1.027 117 V CA -2.197 60.133 62.300 0.050 0.000 0.855 117 V CB 1.998 33.858 31.823 0.061 0.000 0.995 117 V HN 0.610 nan 8.190 nan 0.000 0.424 118 P HA 0.237 nan 4.420 nan 0.000 0.271 118 P C -0.511 176.856 177.300 0.111 0.000 1.216 118 P CA 0.159 63.315 63.100 0.093 0.000 0.771 118 P CB 0.886 32.638 31.700 0.087 0.000 0.864 119 V N 1.478 121.466 119.914 0.123 0.000 3.103 119 V HA 0.767 4.888 4.120 0.001 0.000 0.318 119 V C -1.072 175.073 176.094 0.085 0.000 1.114 119 V CA -1.126 61.223 62.300 0.083 0.000 1.020 119 V CB 1.618 33.495 31.823 0.089 0.000 1.085 119 V HN 0.516 nan 8.190 nan 0.000 0.446 120 Y N -0.331 119.916 120.300 -0.088 0.000 2.429 120 Y HA 0.724 5.274 4.550 0.001 0.000 0.342 120 Y C -0.834 174.994 175.900 -0.119 0.000 1.004 120 Y CA -1.741 56.258 58.100 -0.167 0.000 1.075 120 Y CB 1.557 39.775 38.460 -0.402 0.000 1.214 120 Y HN 0.931 nan 8.280 nan 0.000 0.455 121 W N 5.405 126.553 121.300 -0.253 0.000 2.481 121 W HA 0.512 5.173 4.660 0.002 0.000 0.320 121 W C -0.577 175.782 176.519 -0.266 0.000 1.209 121 W CA -0.610 56.471 57.345 -0.439 0.000 1.400 121 W CB 1.047 30.127 29.460 -0.634 0.000 1.361 121 W HN 0.719 nan 8.180 nan 0.000 0.456 122 S N 3.685 119.435 115.700 0.083 0.000 2.669 122 S HA 0.254 4.725 4.470 0.001 0.000 0.270 122 S C -0.245 174.224 174.600 -0.218 0.000 1.225 122 S CA -0.045 58.099 58.200 -0.093 0.000 0.991 122 S CB 0.186 63.242 63.200 -0.239 0.000 0.987 122 S HN 0.546 nan 8.310 nan 0.000 0.552 123 H N -0.941 117.906 119.070 -0.372 0.000 2.604 123 H HA -0.168 4.388 4.556 0.001 0.000 0.321 123 H C -0.262 174.852 175.328 -0.357 0.000 1.132 123 H CA 0.750 56.429 56.048 -0.616 0.000 1.129 123 H CB -1.790 26.957 29.762 -1.692 0.000 1.526 123 H HN 0.420 nan 8.280 nan 0.000 0.415 124 C N 2.200 121.350 119.300 -0.250 0.000 2.437 124 C HA 0.372 4.832 4.460 0.001 0.000 0.307 124 C C -1.917 172.909 174.990 -0.273 0.000 1.093 124 C CA -1.441 57.341 59.018 -0.394 0.000 1.463 124 C CB 0.487 27.707 27.740 -0.867 0.000 1.926 124 C HN 0.369 nan 8.230 nan 0.000 0.420 125 P HA 0.152 nan 4.420 nan 0.000 0.259 125 P C 1.180 178.460 177.300 -0.034 0.000 1.530 125 P CA 0.246 63.262 63.100 -0.141 0.000 1.022 125 P CB 0.150 31.747 31.700 -0.173 0.000 1.514 126 T N -1.341 113.252 114.554 0.066 0.000 2.653 126 T HA -0.203 4.148 4.350 0.001 0.000 0.268 126 T C 1.371 176.351 174.700 0.466 0.000 1.035 126 T CA 1.606 63.894 62.100 0.313 0.000 1.154 126 T CB -0.831 68.232 68.868 0.325 0.000 0.862 126 T HN 0.309 nan 8.240 nan 0.000 0.441 127 W N 1.260 122.626 121.300 0.110 0.000 2.358 127 W HA -0.072 4.588 4.660 0.001 0.000 0.303 127 W C 2.770 179.398 176.519 0.182 0.000 1.208 127 W CA 0.184 57.573 57.345 0.073 0.000 1.274 127 W CB -0.122 29.182 29.460 -0.259 0.000 1.138 127 W HN 0.176 nan 8.180 nan 0.000 0.515 128 R N -0.196 120.525 120.500 0.368 0.000 2.189 128 R HA -0.088 4.252 4.340 0.001 0.000 0.223 128 R C 1.814 178.195 176.300 0.135 0.000 1.092 128 R CA 1.007 57.261 56.100 0.256 0.000 0.989 128 R CB -0.336 30.068 30.300 0.173 0.000 0.876 128 R HN 0.321 nan 8.270 nan 0.000 0.457 129 I N 0.502 121.113 120.570 0.068 0.000 2.339 129 I HA -0.156 4.015 4.170 0.001 0.000 0.245 129 I C 1.419 177.551 176.117 0.024 0.000 1.096 129 I CA 0.886 62.176 61.300 -0.016 0.000 1.408 129 I CB -0.099 37.761 38.000 -0.233 0.000 1.092 129 I HN 0.083 nan 8.210 nan 0.000 0.423 130 N N -0.381 118.328 118.700 0.015 0.000 2.333 130 N HA -0.031 4.709 4.740 0.001 0.000 0.178 130 N C 0.564 175.722 175.510 -0.586 0.000 1.018 130 N CA 1.037 53.922 53.050 -0.275 0.000 0.882 130 N CB 0.066 38.307 38.487 -0.409 0.000 0.984 130 N HN 0.337 nan 8.380 nan 0.000 0.434 131 H N -0.553 118.553 119.070 0.059 0.000 2.624 131 H HA 0.241 4.798 4.556 0.001 0.000 0.233 131 H C -1.680 173.728 175.328 0.133 0.000 1.376 131 H CA -1.229 54.848 56.048 0.049 0.000 1.137 131 H CB 1.118 30.785 29.762 -0.157 0.000 1.867 131 H HN 0.176 nan 8.280 nan 0.000 0.547 132 P HA -0.160 nan 4.420 nan 0.000 0.222 132 P C 1.647 178.919 177.300 -0.047 0.000 1.147 132 P CA 0.947 64.095 63.100 0.079 0.000 0.790 132 P CB 0.575 32.299 31.700 0.040 0.000 0.780 133 K N -0.728 119.553 120.400 -0.199 0.000 2.209 133 K HA -0.098 4.222 4.320 0.001 0.000 0.204 133 K C 1.255 177.429 176.600 -0.710 0.000 1.048 133 K CA 1.435 57.415 56.287 -0.512 0.000 0.940 133 K CB -0.390 31.643 32.500 -0.779 0.000 0.729 133 K HN 0.041 nan 8.250 nan 0.000 0.451 134 F N -1.338 118.501 119.950 -0.185 0.000 2.637 134 F HA 0.305 4.832 4.527 0.001 0.000 0.284 134 F C -0.110 175.312 175.800 -0.630 0.000 1.105 134 F CA -0.537 57.160 58.000 -0.505 0.000 1.356 134 F CB 0.482 38.976 39.000 -0.844 0.000 1.096 134 F HN -0.224 nan 8.300 nan 0.000 0.616 135 F N 0.415 120.496 119.950 0.218 0.000 2.445 135 F HA 0.692 5.220 4.527 0.001 0.000 0.348 135 F C 0.444 176.335 175.800 0.152 0.000 1.125 135 F CA -1.530 56.584 58.000 0.189 0.000 0.983 135 F CB 0.924 40.077 39.000 0.255 0.000 1.198 135 F HN -0.078 nan 8.300 nan 0.000 0.436 136 G N 2.055 111.019 108.800 0.273 0.000 2.685 136 G HA2 0.774 4.734 3.960 0.001 0.000 0.298 136 G HA3 0.774 4.734 3.960 0.001 0.000 0.298 136 G C -2.961 172.054 174.900 0.190 0.000 1.277 136 G CA -1.865 43.347 45.100 0.187 0.000 0.986 136 G HN 0.302 nan 8.290 nan 0.000 0.487 137 P HA 0.315 nan 4.420 nan 0.000 0.275 137 P C -2.701 174.659 177.300 0.099 0.000 1.228 137 P CA -1.185 61.976 63.100 0.101 0.000 0.786 137 P CB 0.616 32.363 31.700 0.077 0.000 0.927 138 P HA 0.024 nan 4.420 nan 0.000 0.266 138 P C -0.531 176.795 177.300 0.044 0.000 1.195 138 P CA 0.284 63.423 63.100 0.064 0.000 0.768 138 P CB 0.286 32.010 31.700 0.041 0.000 0.838 139 V N 3.054 122.986 119.914 0.029 0.000 2.384 139 V HA 0.327 4.447 4.120 0.001 0.000 0.287 139 V C 1.028 177.117 176.094 -0.010 0.000 1.020 139 V CA 0.094 62.392 62.300 -0.003 0.000 0.850 139 V CB 1.260 33.060 31.823 -0.038 0.000 0.987 139 V HN 0.772 nan 8.190 nan 0.000 0.436 140 T N -1.021 113.537 114.554 0.007 0.000 3.058 140 T HA 0.314 4.665 4.350 0.001 0.000 0.278 140 T C -0.106 174.625 174.700 0.052 0.000 0.974 140 T CA 0.166 62.278 62.100 0.020 0.000 0.893 140 T CB 0.121 69.005 68.868 0.027 0.000 1.138 140 T HN 0.705 nan 8.240 nan 0.000 0.529 141 D N -0.345 120.098 120.400 0.072 0.000 2.692 141 D HA 0.315 4.956 4.640 0.001 0.000 0.303 141 D C 0.818 177.175 176.300 0.094 0.000 1.278 141 D CA -0.999 53.077 54.000 0.128 0.000 0.852 141 D CB 0.345 41.185 40.800 0.067 0.000 1.375 141 D HN -0.024 nan 8.370 nan 0.000 0.453 142 L N -0.162 121.062 121.223 0.001 0.000 2.141 142 L HA -0.069 4.272 4.340 0.001 0.000 0.209 142 L C 1.275 178.072 176.870 -0.122 0.000 1.094 142 L CA 1.303 56.039 54.840 -0.174 0.000 0.763 142 L CB -0.375 41.524 42.059 -0.267 0.000 0.908 142 L HN 0.408 nan 8.230 nan 0.000 0.437 143 D N 0.090 120.449 120.400 -0.068 0.000 2.144 143 D HA -0.138 4.502 4.640 0.001 0.000 0.199 143 D C 2.119 178.383 176.300 -0.061 0.000 0.984 143 D CA 1.483 55.447 54.000 -0.060 0.000 0.834 143 D CB -0.233 40.546 40.800 -0.035 0.000 0.955 143 D HN 0.352 nan 8.370 nan 0.000 0.465 144 G N 0.642 109.414 108.800 -0.045 0.000 2.402 144 G HA2 -0.181 3.780 3.960 0.001 0.000 0.216 144 G HA3 -0.181 3.780 3.960 0.001 0.000 0.216 144 G C 1.889 176.735 174.900 -0.089 0.000 1.162 144 G CA 0.610 45.682 45.100 -0.046 0.000 0.777 144 G HN 0.218 nan 8.290 nan 0.000 0.539 145 V N 0.981 120.822 119.914 -0.120 0.000 2.287 145 V HA -0.224 3.896 4.120 0.001 0.000 0.248 145 V C 2.694 178.658 176.094 -0.216 0.000 1.053 145 V CA 2.433 64.604 62.300 -0.216 0.000 1.027 145 V CB -0.467 31.152 31.823 -0.339 0.000 0.646 145 V HN 0.467 nan 8.190 nan 0.000 0.447 146 K N -0.021 120.273 120.400 -0.177 0.000 2.032 146 K HA -0.208 4.113 4.320 0.001 0.000 0.209 146 K C 2.395 178.924 176.600 -0.119 0.000 1.048 146 K CA 1.656 57.856 56.287 -0.145 0.000 0.927 146 K CB -0.171 32.262 32.500 -0.112 0.000 0.712 146 K HN 0.341 nan 8.250 nan 0.000 0.441 147 R N -0.195 120.249 120.500 -0.094 0.000 2.120 147 R HA -0.075 4.265 4.340 0.001 0.000 0.234 147 R C 2.268 178.517 176.300 -0.083 0.000 1.123 147 R CA 1.760 57.820 56.100 -0.067 0.000 0.975 147 R CB -0.337 29.940 30.300 -0.039 0.000 0.866 147 R HN 0.309 nan 8.270 nan 0.000 0.446 148 T N 0.846 115.324 114.554 -0.127 0.000 2.746 148 T HA -0.115 4.236 4.350 0.001 0.000 0.267 148 T C 1.962 176.491 174.700 -0.285 0.000 1.039 148 T CA 1.374 63.358 62.100 -0.195 0.000 1.142 148 T CB -0.180 68.547 68.868 -0.236 0.000 0.866 148 T HN 0.358 nan 8.240 nan 0.000 0.444 149 A N 1.683 124.351 122.820 -0.254 0.000 1.933 149 A HA -0.127 4.194 4.320 0.001 0.000 0.218 149 A C 2.197 179.695 177.584 -0.142 0.000 1.175 149 A CA 1.536 53.431 52.037 -0.237 0.000 0.628 149 A CB -0.538 18.343 19.000 -0.197 0.000 0.814 149 A HN 0.572 nan 8.150 nan 0.000 0.444 150 E N -0.561 119.580 120.200 -0.098 0.000 2.085 150 E HA -0.246 4.104 4.350 0.001 0.000 0.194 150 E C 2.050 178.648 176.600 -0.003 0.000 0.994 150 E CA 1.326 57.701 56.400 -0.043 0.000 0.801 150 E CB -0.167 29.513 29.700 -0.033 0.000 0.743 150 E HN 0.833 nan 8.360 nan 0.000 0.453 151 E N 0.692 120.891 120.200 -0.002 0.000 2.077 151 E HA -0.210 4.140 4.350 0.001 0.000 0.193 151 E C 2.068 178.782 176.600 0.189 0.000 0.989 151 E CA 0.985 57.439 56.400 0.091 0.000 0.800 151 E CB -0.064 29.706 29.700 0.116 0.000 0.746 151 E HN 0.222 nan 8.360 nan 0.000 0.452 152 A N 1.638 124.497 122.820 0.065 0.000 1.902 152 A HA -0.217 4.103 4.320 0.001 0.000 0.217 152 A C 2.233 179.968 177.584 0.253 0.000 1.181 152 A CA 1.630 53.800 52.037 0.223 0.000 0.623 152 A CB -0.626 18.272 19.000 -0.170 0.000 0.818 152 A HN 0.249 nan 8.150 nan 0.000 0.443 153 R N -0.336 120.221 120.500 0.096 0.000 2.080 153 R HA -0.203 4.137 4.340 0.001 0.000 0.236 153 R C 2.241 178.589 176.300 0.079 0.000 1.137 153 R CA 1.955 58.096 56.100 0.070 0.000 0.943 153 R CB -0.350 29.961 30.300 0.018 0.000 0.846 153 R HN 0.712 nan 8.270 nan 0.000 0.431 154 E N 0.178 120.428 120.200 0.085 0.000 2.110 154 E HA -0.187 4.164 4.350 0.001 0.000 0.193 154 E C 1.600 178.249 176.600 0.082 0.000 0.988 154 E CA 1.094 57.537 56.400 0.071 0.000 0.804 154 E CB 0.129 29.872 29.700 0.071 0.000 0.745 154 E HN 0.304 nan 8.360 nan 0.000 0.458 155 R N -0.175 120.421 120.500 0.159 0.000 2.319 155 R HA 0.027 4.368 4.340 0.001 0.000 0.204 155 R C 0.077 176.330 176.300 -0.078 0.000 0.954 155 R CA 0.328 56.513 56.100 0.141 0.000 1.066 155 R CB 0.358 30.883 30.300 0.376 0.000 0.991 155 R HN 0.139 nan 8.270 nan 0.000 0.486 156 Q N -1.812 117.957 119.800 -0.051 0.000 2.466 156 Q HA -0.192 4.148 4.340 0.001 0.000 0.248 156 Q C -0.819 175.022 176.000 -0.264 0.000 0.791 156 Q CA 0.976 56.688 55.803 -0.152 0.000 1.225 156 Q CB -2.456 26.163 28.738 -0.198 0.000 1.418 156 Q HN 0.273 nan 8.270 nan 0.000 0.662 157 F N 0.451 120.435 119.950 0.057 0.000 2.429 157 F HA 0.166 4.693 4.527 0.001 0.000 0.348 157 F C 1.936 177.748 175.800 0.019 0.000 1.109 157 F CA 0.065 58.096 58.000 0.052 0.000 1.232 157 F CB 0.544 39.632 39.000 0.146 0.000 1.157 157 F HN -0.109 nan 8.300 nan 0.000 0.564 158 R N 1.550 122.144 120.500 0.157 0.000 2.312 158 R HA 0.500 4.841 4.340 0.001 0.000 0.205 158 R C -0.360 175.941 176.300 0.002 0.000 0.904 158 R CA 0.110 56.243 56.100 0.056 0.000 1.052 158 R CB 0.456 30.776 30.300 0.034 0.000 1.014 158 R HN 0.586 nan 8.270 nan 0.000 0.503 159 A N 1.336 124.157 122.820 0.001 0.000 2.589 159 A HA 0.601 4.921 4.320 0.001 0.000 0.296 159 A C -1.152 176.364 177.584 -0.113 0.000 1.062 159 A CA -0.870 51.067 52.037 -0.166 0.000 0.686 159 A CB 1.262 20.008 19.000 -0.424 0.000 1.282 159 A HN 0.241 nan 8.150 nan 0.000 0.404 160 I N -1.572 118.860 120.570 -0.230 0.000 2.865 160 I HA 0.795 4.966 4.170 0.001 0.000 0.302 160 I C -0.830 175.093 176.117 -0.323 0.000 1.140 160 I CA -0.910 60.248 61.300 -0.237 0.000 1.021 160 I CB 2.357 40.156 38.000 -0.334 0.000 1.233 160 I HN 0.620 nan 8.210 nan 0.000 0.427 161 K N 2.573 122.815 120.400 -0.263 0.000 2.345 161 K HA 0.595 4.915 4.320 0.001 0.000 0.255 161 K C -0.957 175.505 176.600 -0.230 0.000 0.934 161 K CA -0.316 55.786 56.287 -0.308 0.000 0.801 161 K CB 2.272 34.581 32.500 -0.319 0.000 1.137 161 K HN 0.880 nan 8.250 nan 0.000 0.424 162 T N 1.584 116.047 114.554 -0.152 0.000 2.905 162 T HA 0.514 4.864 4.350 0.001 0.000 0.283 162 T C -0.610 174.073 174.700 -0.028 0.000 1.031 162 T CA -0.673 61.416 62.100 -0.019 0.000 1.002 162 T CB 0.942 69.907 68.868 0.162 0.000 1.200 162 T HN 0.695 nan 8.240 nan 0.000 0.560 163 N N -0.293 118.437 118.700 0.049 0.000 3.255 163 N HA 0.508 5.248 4.740 0.001 0.000 0.359 163 N C -0.989 174.366 175.510 -0.259 0.000 1.463 163 N CA -0.627 52.356 53.050 -0.111 0.000 0.695 163 N CB 0.846 39.245 38.487 -0.146 0.000 1.581 163 N HN 0.469 nan 8.380 nan 0.000 0.622 164 I N 1.165 121.468 120.570 -0.447 0.000 2.336 164 I HA 0.375 4.546 4.170 0.001 0.000 0.292 164 I C -1.149 174.516 176.117 -0.754 0.000 0.991 164 I CA -0.281 60.784 61.300 -0.391 0.000 1.227 164 I CB 0.385 38.317 38.000 -0.113 0.000 1.366 164 I HN 0.215 nan 8.210 nan 0.000 0.466 165 F N 6.049 125.840 119.950 -0.266 0.000 2.556 165 F HA 0.512 5.039 4.527 0.001 0.000 0.314 165 F C -0.249 175.392 175.800 -0.266 0.000 1.106 165 F CA -0.819 57.003 58.000 -0.296 0.000 0.911 165 F CB 1.876 40.624 39.000 -0.420 0.000 1.190 165 F HN 0.127 nan 8.300 nan 0.000 0.448 166 I N 3.894 124.317 120.570 -0.246 0.000 2.312 166 I HA 0.214 4.385 4.170 0.001 0.000 0.290 166 I C 0.644 176.573 176.117 -0.314 0.000 1.008 166 I CA -0.194 60.911 61.300 -0.323 0.000 1.226 166 I CB 0.934 38.593 38.000 -0.567 0.000 1.371 166 I HN 0.762 nan 8.210 nan 0.000 0.468 167 H N 3.606 122.647 119.070 -0.047 0.000 2.604 167 H HA 0.049 4.605 4.556 0.001 0.000 0.273 167 H C 0.343 175.687 175.328 0.026 0.000 0.971 167 H CA 0.597 56.654 56.048 0.015 0.000 1.249 167 H CB 1.246 31.029 29.762 0.036 0.000 1.449 167 H HN 0.599 nan 8.280 nan 0.000 0.512 168 D N -0.173 120.300 120.400 0.122 0.000 2.501 168 D HA 0.004 4.645 4.640 0.001 0.000 0.226 168 D C -0.241 176.104 176.300 0.076 0.000 1.198 168 D CA -0.095 53.957 54.000 0.087 0.000 0.830 168 D CB -0.044 40.791 40.800 0.057 0.000 1.014 168 D HN 0.042 nan 8.370 nan 0.000 0.496 169 D N 0.092 120.558 120.400 0.111 0.000 2.656 169 D HA 0.447 5.087 4.640 0.001 0.000 0.303 169 D C 0.630 177.037 176.300 0.178 0.000 1.199 169 D CA 0.327 54.407 54.000 0.133 0.000 0.797 169 D CB 0.125 41.014 40.800 0.147 0.000 1.170 169 D HN 0.273 nan 8.370 nan 0.000 0.509 170 G N 2.032 110.907 108.800 0.124 0.000 2.587 170 G HA2 -0.183 3.777 3.960 0.001 0.000 0.212 170 G HA3 -0.183 3.777 3.960 0.001 0.000 0.212 170 G C -2.270 172.714 174.900 0.140 0.000 1.327 170 G CA -0.841 44.324 45.100 0.107 0.000 0.898 170 G HN 0.372 nan 8.290 nan 0.000 0.551 171 P HA 0.412 nan 4.420 nan 0.000 0.265 171 P C 0.362 177.793 177.300 0.218 0.000 1.193 171 P CA -0.495 62.680 63.100 0.125 0.000 0.765 171 P CB 0.527 32.278 31.700 0.084 0.000 0.823 172 L N 5.258 126.552 121.223 0.119 0.000 2.615 172 L HA 0.074 4.415 4.340 0.001 0.000 0.284 172 L C 0.102 177.067 176.870 0.158 0.000 1.237 172 L CA 0.929 55.782 54.840 0.022 0.000 0.905 172 L CB -0.992 41.006 42.059 -0.101 0.000 1.149 172 L HN 0.636 nan 8.230 nan 0.000 0.499 173 H N 2.708 121.821 119.070 0.073 0.000 3.046 173 H HA 0.819 5.375 4.556 0.001 0.000 0.361 173 H C -0.787 174.671 175.328 0.217 0.000 1.235 173 H CA -0.706 55.433 56.048 0.151 0.000 1.146 173 H CB 0.587 30.413 29.762 0.107 0.000 1.859 173 H HN 0.823 nan 8.280 nan 0.000 0.548 174 A N 1.802 124.751 122.820 0.214 0.000 2.351 174 A HA 0.261 4.582 4.320 0.001 0.000 0.257 174 A C -0.889 176.716 177.584 0.034 0.000 1.087 174 A CA -0.627 51.328 52.037 -0.137 0.000 0.798 174 A CB 0.363 19.271 19.000 -0.152 0.000 1.033 174 A HN 0.772 nan 8.150 nan 0.000 0.488 175 W N 2.796 123.913 121.300 -0.304 0.000 2.338 175 W HA 0.536 5.197 4.660 0.001 0.000 0.315 175 W C -0.809 175.616 176.519 -0.156 0.000 1.005 175 W CA -0.573 56.671 57.345 -0.168 0.000 1.380 175 W CB 0.866 30.209 29.460 -0.195 0.000 1.235 175 W HN 0.775 nan 8.180 nan 0.000 0.409 176 R N 6.017 126.254 120.500 -0.439 0.000 2.711 176 R HA 0.124 4.464 4.340 0.001 0.000 0.350 176 R C -1.625 174.415 176.300 -0.433 0.000 1.146 176 R CA -1.104 54.792 56.100 -0.340 0.000 1.190 176 R CB 0.666 30.940 30.300 -0.044 0.000 1.312 176 R HN 0.173 nan 8.270 nan 0.000 0.635 177 P HA -0.162 nan 4.420 nan 0.000 0.219 177 P C 1.333 178.438 177.300 -0.325 0.000 1.146 177 P CA 1.426 64.175 63.100 -0.583 0.000 0.808 177 P CB 0.283 31.525 31.700 -0.763 0.000 0.779 178 G N -0.891 107.700 108.800 -0.348 0.000 2.470 178 G HA2 -0.197 3.764 3.960 0.001 0.000 0.220 178 G HA3 -0.197 3.764 3.960 0.001 0.000 0.220 178 G C 0.636 175.443 174.900 -0.154 0.000 1.121 178 G CA 0.310 45.239 45.100 -0.284 0.000 0.766 178 G HN 0.194 nan 8.290 nan 0.000 0.553 179 F N -0.040 119.890 119.950 -0.033 0.000 2.708 179 F HA 0.597 5.125 4.527 0.001 0.000 0.300 179 F C 1.357 177.168 175.800 0.019 0.000 1.118 179 F CA -1.287 56.715 58.000 0.003 0.000 1.307 179 F CB -0.104 38.931 39.000 0.058 0.000 0.986 179 F HN 0.243 nan 8.300 nan 0.000 0.522 180 A N -0.521 122.378 122.820 0.133 0.000 2.872 180 A HA -0.164 4.156 4.320 0.001 0.000 0.273 180 A C -0.190 177.457 177.584 0.106 0.000 1.442 180 A CA 0.797 52.925 52.037 0.152 0.000 0.801 180 A CB -2.308 16.858 19.000 0.276 0.000 1.031 180 A HN 0.115 nan 8.150 nan 0.000 0.582 181 V N 1.692 121.617 119.914 0.019 0.000 2.327 181 V HA 0.425 4.546 4.120 0.001 0.000 0.272 181 V C -1.805 174.183 176.094 -0.176 0.000 1.019 181 V CA -0.723 61.575 62.300 -0.004 0.000 0.814 181 V CB 1.456 33.323 31.823 0.075 0.000 1.040 181 V HN 0.472 nan 8.190 nan 0.000 0.440 182 P HA 0.280 nan 4.420 nan 0.000 0.279 182 P C -0.612 176.651 177.300 -0.062 0.000 1.276 182 P CA -0.694 62.357 63.100 -0.082 0.000 0.801 182 P CB 1.208 32.881 31.700 -0.046 0.000 1.127 183 F N 1.400 121.305 119.950 -0.075 0.000 2.439 183 F HA 0.241 4.768 4.527 0.001 0.000 0.356 183 F C 0.433 176.202 175.800 -0.053 0.000 1.161 183 F CA 0.437 58.403 58.000 -0.057 0.000 1.151 183 F CB -0.101 38.887 39.000 -0.020 0.000 1.222 183 F HN 0.236 nan 8.300 nan 0.000 0.558 184 Q N 8.994 128.464 119.800 -0.550 0.000 3.761 184 Q HA 0.236 4.576 4.340 0.001 0.000 0.206 184 Q C -2.260 173.466 176.000 -0.457 0.000 0.900 184 Q CA -1.437 54.105 55.803 -0.435 0.000 0.737 184 Q CB 1.197 29.828 28.738 -0.179 0.000 1.454 184 Q HN 0.399 nan 8.270 nan 0.000 0.448 185 P HA -0.045 nan 4.420 nan 0.000 0.230 185 P C 0.834 178.003 177.300 -0.219 0.000 1.158 185 P CA 0.789 63.627 63.100 -0.438 0.000 0.769 185 P CB 0.330 31.741 31.700 -0.482 0.000 0.807 186 A N 0.694 123.408 122.820 -0.177 0.000 2.067 186 A HA -0.036 4.285 4.320 0.001 0.000 0.219 186 A C 1.407 178.939 177.584 -0.087 0.000 1.158 186 A CA 0.674 52.651 52.037 -0.100 0.000 0.661 186 A CB -1.204 17.753 19.000 -0.071 0.000 0.801 186 A HN 0.212 nan 8.150 nan 0.000 0.452 187 L N -0.921 120.240 121.223 -0.102 0.000 3.717 187 L HA -0.223 4.117 4.340 0.001 0.000 0.414 187 L C -0.657 176.191 176.870 -0.037 0.000 1.228 187 L CA -0.137 54.653 54.840 -0.083 0.000 0.918 187 L CB -2.555 39.435 42.059 -0.115 0.000 1.865 187 L HN 0.425 nan 8.230 nan 0.000 0.922 188 N N 0.379 119.080 118.700 0.003 0.000 2.453 188 N HA 0.392 5.133 4.740 0.001 0.000 0.253 188 N C 0.097 175.635 175.510 0.047 0.000 1.252 188 N CA -0.135 52.916 53.050 0.003 0.000 0.917 188 N CB 1.486 39.975 38.487 0.004 0.000 1.117 188 N HN 0.007 nan 8.380 nan 0.000 0.442 189 V N 1.608 121.512 119.914 -0.016 0.000 2.417 189 V HA 0.264 4.385 4.120 0.001 0.000 0.291 189 V C -0.103 175.951 176.094 -0.067 0.000 1.024 189 V CA -0.674 61.599 62.300 -0.045 0.000 0.861 189 V CB 1.535 33.317 31.823 -0.068 0.000 0.985 189 V HN 0.770 nan 8.190 nan 0.000 0.436 190 D N 3.622 123.956 120.400 -0.110 0.000 2.687 190 D HA 0.396 5.037 4.640 0.001 0.000 0.264 190 D C 0.838 177.068 176.300 -0.116 0.000 1.091 190 D CA -0.958 52.983 54.000 -0.099 0.000 1.123 190 D CB 1.059 41.803 40.800 -0.092 0.000 1.407 190 D HN 0.119 nan 8.370 nan 0.000 0.591 191 R N -0.567 119.880 120.500 -0.088 0.000 2.127 191 R HA -0.116 4.224 4.340 0.001 0.000 0.238 191 R C 1.972 178.207 176.300 -0.107 0.000 1.134 191 R CA 1.425 57.478 56.100 -0.078 0.000 0.975 191 R CB -0.165 30.103 30.300 -0.053 0.000 0.865 191 R HN 0.485 nan 8.270 nan 0.000 0.447 192 K N 0.662 120.976 120.400 -0.144 0.000 2.026 192 K HA -0.128 4.192 4.320 0.001 0.000 0.208 192 K C 1.920 178.367 176.600 -0.254 0.000 1.048 192 K CA 1.381 57.560 56.287 -0.181 0.000 0.929 192 K CB 0.040 32.414 32.500 -0.210 0.000 0.713 192 K HN -0.022 nan 8.250 nan 0.000 0.439 193 V N 1.765 121.465 119.914 -0.357 0.000 2.295 193 V HA -0.263 3.857 4.120 0.001 0.000 0.246 193 V C 2.325 178.284 176.094 -0.225 0.000 1.049 193 V CA 1.676 63.725 62.300 -0.419 0.000 1.024 193 V CB -0.376 31.149 31.823 -0.498 0.000 0.648 193 V HN 0.321 nan 8.190 nan 0.000 0.447 194 L N 0.284 121.414 121.223 -0.155 0.000 2.027 194 L HA -0.179 4.162 4.340 0.001 0.000 0.206 194 L C 2.821 179.653 176.870 -0.063 0.000 1.074 194 L CA 2.167 56.953 54.840 -0.090 0.000 0.745 194 L CB -0.742 41.282 42.059 -0.058 0.000 0.898 194 L HN 0.418 nan 8.230 nan 0.000 0.433 195 R N -0.235 120.229 120.500 -0.060 0.000 2.115 195 R HA -0.099 4.241 4.340 0.001 0.000 0.230 195 R C 1.797 178.087 176.300 -0.017 0.000 1.111 195 R CA 1.386 57.470 56.100 -0.027 0.000 0.976 195 R CB -0.546 29.738 30.300 -0.025 0.000 0.870 195 R HN 0.383 nan 8.270 nan 0.000 0.445 196 N N 1.102 119.779 118.700 -0.039 0.000 2.171 196 N HA -0.052 4.689 4.740 0.001 0.000 0.184 196 N C 1.952 177.491 175.510 0.048 0.000 1.021 196 N CA 1.011 54.072 53.050 0.017 0.000 0.854 196 N CB -0.062 38.412 38.487 -0.023 0.000 0.994 196 N HN 0.218 nan 8.380 nan 0.000 0.426 197 L N 1.254 122.459 121.223 -0.031 0.000 2.013 197 L HA -0.200 4.140 4.340 0.001 0.000 0.212 197 L C 2.774 179.614 176.870 -0.050 0.000 1.073 197 L CA 1.320 56.132 54.840 -0.047 0.000 0.753 197 L CB -0.318 41.678 42.059 -0.105 0.000 0.890 197 L HN 0.176 nan 8.230 nan 0.000 0.432 198 R N -0.042 120.433 120.500 -0.042 0.000 2.083 198 R HA -0.207 4.133 4.340 0.001 0.000 0.237 198 R C 2.291 178.633 176.300 0.069 0.000 1.137 198 R CA 1.609 57.717 56.100 0.013 0.000 0.951 198 R CB -0.327 30.030 30.300 0.095 0.000 0.851 198 R HN 0.358 nan 8.270 nan 0.000 0.434 199 A N 0.124 122.967 122.820 0.039 0.000 1.883 199 A HA -0.259 4.061 4.320 0.001 0.000 0.217 199 A C 2.025 179.576 177.584 -0.055 0.000 1.186 199 A CA 1.959 53.990 52.037 -0.010 0.000 0.624 199 A CB -1.005 17.967 19.000 -0.047 0.000 0.822 199 A HN 0.701 nan 8.150 nan 0.000 0.444 200 H N -0.329 118.674 119.070 -0.111 0.000 2.290 200 H HA -0.044 4.512 4.556 0.001 0.000 0.298 200 H C 1.814 177.101 175.328 -0.068 0.000 1.087 200 H CA 2.092 58.084 56.048 -0.093 0.000 1.291 200 H CB -0.220 29.615 29.762 0.121 0.000 1.369 200 H HN 0.359 nan 8.280 nan 0.000 0.492 201 L N 0.101 121.358 121.223 0.056 0.000 2.093 201 L HA -0.134 4.207 4.340 0.001 0.000 0.208 201 L C 2.438 179.356 176.870 0.080 0.000 1.085 201 L CA 1.452 56.276 54.840 -0.025 0.000 0.755 201 L CB -0.343 41.535 42.059 -0.301 0.000 0.904 201 L HN 0.455 nan 8.230 nan 0.000 0.435 202 E N 0.066 120.356 120.200 0.150 0.000 2.077 202 E HA -0.219 4.132 4.350 0.001 0.000 0.193 202 E C 2.312 178.909 176.600 -0.006 0.000 0.989 202 E CA 1.132 57.617 56.400 0.143 0.000 0.800 202 E CB -0.140 29.634 29.700 0.123 0.000 0.746 202 E HN 0.508 nan 8.360 nan 0.000 0.452 203 A N 1.029 123.793 122.820 -0.094 0.000 1.877 203 A HA -0.169 4.152 4.320 0.001 0.000 0.216 203 A C 2.145 179.627 177.584 -0.170 0.000 1.186 203 A CA 0.969 52.912 52.037 -0.157 0.000 0.620 203 A CB -0.562 18.292 19.000 -0.243 0.000 0.822 203 A HN 0.184 nan 8.150 nan 0.000 0.443 204 L N -0.417 120.676 121.223 -0.217 0.000 2.042 204 L HA -0.153 4.188 4.340 0.001 0.000 0.210 204 L C 2.510 179.312 176.870 -0.113 0.000 1.076 204 L CA 2.321 57.041 54.840 -0.200 0.000 0.749 204 L CB -0.486 41.440 42.059 -0.222 0.000 0.893 204 L HN 0.433 nan 8.230 nan 0.000 0.432 205 R N -0.158 120.314 120.500 -0.047 0.000 2.092 205 R HA -0.179 4.162 4.340 0.001 0.000 0.231 205 R C 2.031 178.307 176.300 -0.040 0.000 1.119 205 R CA 1.773 57.863 56.100 -0.017 0.000 0.970 205 R CB -0.994 29.336 30.300 0.050 0.000 0.864 205 R HN 0.452 nan 8.270 nan 0.000 0.440 206 D N -1.001 119.370 120.400 -0.049 0.000 2.123 206 D HA -0.090 4.551 4.640 0.001 0.000 0.196 206 D C 1.663 177.927 176.300 -0.059 0.000 0.992 206 D CA 1.776 55.744 54.000 -0.053 0.000 0.833 206 D CB -0.562 40.202 40.800 -0.059 0.000 0.954 206 D HN 0.392 nan 8.370 nan 0.000 0.455 207 G N -0.249 108.505 108.800 -0.077 0.000 2.408 207 G HA2 -0.005 3.955 3.960 0.001 0.000 0.215 207 G HA3 -0.005 3.955 3.960 0.001 0.000 0.215 207 G C 1.670 176.528 174.900 -0.070 0.000 1.156 207 G CA 0.834 45.887 45.100 -0.078 0.000 0.793 207 G HN 0.400 nan 8.290 nan 0.000 0.535 208 A N -0.020 122.754 122.820 -0.076 0.000 2.014 208 A HA 0.466 4.787 4.320 0.001 0.000 0.218 208 A C 1.705 179.265 177.584 -0.041 0.000 1.163 208 A CA 1.582 53.578 52.037 -0.067 0.000 0.652 208 A CB -0.780 18.174 19.000 -0.077 0.000 0.808 208 A HN 1.808 nan 8.150 nan 0.000 0.449 209 G N -1.416 107.362 108.800 -0.037 0.000 2.829 209 G HA2 -0.148 3.813 3.960 0.001 0.000 0.628 209 G HA3 -0.148 3.813 3.960 0.001 0.000 0.628 209 G C -1.328 173.558 174.900 -0.023 0.000 1.412 209 G CA -0.141 44.942 45.100 -0.027 0.000 0.864 209 G HN 0.213 nan 8.290 nan 0.000 0.544 210 P HA 0.108 nan 4.420 nan 0.000 0.231 210 P C 0.594 177.890 177.300 -0.006 0.000 1.168 210 P CA 1.379 64.470 63.100 -0.014 0.000 0.779 210 P CB 0.211 31.902 31.700 -0.016 0.000 0.844 211 D N -0.608 119.789 120.400 -0.006 0.000 2.349 211 D HA 0.071 4.711 4.640 0.001 0.000 0.214 211 D C 0.390 176.692 176.300 0.003 0.000 1.063 211 D CA 0.204 54.205 54.000 0.002 0.000 0.847 211 D CB 0.713 41.514 40.800 0.001 0.000 0.933 211 D HN 0.043 nan 8.370 nan 0.000 0.513 212 V N 2.251 122.160 119.914 -0.008 0.000 2.407 212 V HA 0.086 4.206 4.120 0.001 0.000 0.278 212 V C 0.570 176.644 176.094 -0.033 0.000 1.037 212 V CA -0.635 61.654 62.300 -0.017 0.000 0.900 212 V CB 2.074 33.882 31.823 -0.025 0.000 0.983 212 V HN -0.088 nan 8.190 nan 0.000 0.459 213 E N 4.359 124.529 120.200 -0.049 0.000 2.343 213 E HA 0.443 4.793 4.350 0.001 0.000 0.269 213 E C -0.741 175.764 176.600 -0.159 0.000 1.047 213 E CA -0.220 56.146 56.400 -0.057 0.000 0.874 213 E CB 2.135 31.827 29.700 -0.013 0.000 1.033 213 E HN 0.477 nan 8.360 nan 0.000 0.409 214 I N 3.305 123.798 120.570 -0.129 0.000 2.406 214 I HA 0.177 4.348 4.170 0.001 0.000 0.290 214 I C -0.745 175.226 176.117 -0.243 0.000 0.999 214 I CA -0.815 60.372 61.300 -0.190 0.000 1.124 214 I CB 1.007 38.941 38.000 -0.110 0.000 1.289 214 I HN 0.134 nan 8.210 nan 0.000 0.441 215 L N 6.872 127.850 121.223 -0.409 0.000 2.322 215 L HA 0.521 4.862 4.340 0.001 0.000 0.279 215 L C -0.642 176.061 176.870 -0.279 0.000 1.036 215 L CA -0.512 54.028 54.840 -0.501 0.000 0.807 215 L CB 1.508 42.917 42.059 -1.083 0.000 1.226 215 L HN 0.377 nan 8.230 nan 0.000 0.433 216 L N 2.586 123.734 121.223 -0.124 0.000 2.349 216 L HA 0.554 4.894 4.340 0.001 0.000 0.278 216 L C -1.123 175.750 176.870 0.005 0.000 0.996 216 L CA -0.165 54.630 54.840 -0.075 0.000 0.825 216 L CB 1.408 43.406 42.059 -0.101 0.000 1.243 216 L HN 0.491 nan 8.230 nan 0.000 0.412 217 D N 4.310 124.690 120.400 -0.034 0.000 2.349 217 D HA 0.312 4.953 4.640 0.001 0.000 0.232 217 D C 0.453 176.720 176.300 -0.054 0.000 1.071 217 D CA -0.130 53.850 54.000 -0.034 0.000 0.832 217 D CB 1.281 42.045 40.800 -0.060 0.000 1.086 217 D HN 0.652 nan 8.370 nan 0.000 0.504 218 L N 3.221 124.413 121.223 -0.053 0.000 2.607 218 L HA 0.138 4.478 4.340 0.001 0.000 0.228 218 L C 1.393 178.244 176.870 -0.032 0.000 1.123 218 L CA -0.427 54.411 54.840 -0.004 0.000 0.890 218 L CB -0.419 41.705 42.059 0.107 0.000 1.103 218 L HN 0.442 nan 8.230 nan 0.000 0.468 219 N N 0.726 119.360 118.700 -0.110 0.000 1.149 219 N HA -0.323 4.417 4.740 0.001 0.000 0.118 219 N C 0.210 175.580 175.510 -0.233 0.000 0.756 219 N CA 2.379 55.338 53.050 -0.151 0.000 0.861 219 N CB -1.003 37.456 38.487 -0.045 0.000 1.099 219 N HN 0.128 nan 8.380 nan 0.000 0.597 220 F N 1.461 121.272 119.950 -0.232 0.000 2.750 220 F HA 0.312 4.839 4.527 0.001 0.000 0.297 220 F C 1.264 176.984 175.800 -0.132 0.000 1.138 220 F CA -0.381 57.539 58.000 -0.133 0.000 1.346 220 F CB -0.022 38.871 39.000 -0.179 0.000 0.965 220 F HN 0.165 nan 8.300 nan 0.000 0.514 221 N N 0.917 119.631 118.700 0.023 0.000 2.383 221 N HA 0.220 4.961 4.740 0.001 0.000 0.192 221 N C 0.436 175.861 175.510 -0.142 0.000 1.141 221 N CA 0.274 53.261 53.050 -0.105 0.000 0.851 221 N CB 0.439 38.859 38.487 -0.113 0.000 0.976 221 N HN 0.305 nan 8.380 nan 0.000 0.465 222 A N -0.200 122.431 122.820 -0.314 0.000 2.533 222 A HA 0.641 4.961 4.320 0.001 0.000 0.293 222 A C -0.762 176.482 177.584 -0.567 0.000 1.228 222 A CA -0.637 51.027 52.037 -0.622 0.000 0.689 222 A CB 1.637 20.014 19.000 -1.037 0.000 1.303 222 A HN -0.173 nan 8.150 nan 0.000 0.444 223 K N -0.256 119.890 120.400 -0.424 0.000 2.139 223 K HA 0.460 4.780 4.320 0.001 0.000 0.243 223 K C -2.157 174.383 176.600 -0.100 0.000 0.983 223 K CA -2.197 54.000 56.287 -0.149 0.000 0.890 223 K CB 0.501 32.963 32.500 -0.065 0.000 1.090 223 K HN 0.165 nan 8.250 nan 0.000 0.445 224 P HA -0.267 nan 4.420 nan 0.000 0.218 224 P C 1.207 178.579 177.300 0.121 0.000 1.154 224 P CA 1.592 64.844 63.100 0.253 0.000 0.872 224 P CB 0.275 32.069 31.700 0.156 0.000 0.790 225 E N -0.672 119.537 120.200 0.014 0.000 2.070 225 E HA -0.201 4.150 4.350 0.001 0.000 0.197 225 E C 2.131 178.717 176.600 -0.024 0.000 1.004 225 E CA 1.813 58.204 56.400 -0.015 0.000 0.805 225 E CB -0.979 28.696 29.700 -0.043 0.000 0.744 225 E HN 0.210 nan 8.360 nan 0.000 0.451 226 G N -0.819 107.919 108.800 -0.103 0.000 2.403 226 G HA2 -0.218 3.742 3.960 0.001 0.000 0.216 226 G HA3 -0.218 3.742 3.960 0.001 0.000 0.216 226 G C 1.058 175.895 174.900 -0.105 0.000 1.154 226 G CA 0.727 45.741 45.100 -0.143 0.000 0.784 226 G HN 0.265 nan 8.290 nan 0.000 0.538 227 Y N 0.843 121.156 120.300 0.020 0.000 2.165 227 Y HA -0.048 4.502 4.550 0.001 0.000 0.286 227 Y C 2.751 178.673 175.900 0.037 0.000 1.155 227 Y CA 0.789 58.902 58.100 0.022 0.000 1.164 227 Y CB -0.670 37.802 38.460 0.020 0.000 0.978 227 Y HN 0.078 nan 8.280 nan 0.000 0.513 228 L N -0.195 121.142 121.223 0.189 0.000 2.046 228 L HA -0.247 4.094 4.340 0.001 0.000 0.208 228 L C 2.309 179.230 176.870 0.086 0.000 1.077 228 L CA 1.555 56.474 54.840 0.131 0.000 0.747 228 L CB -0.520 41.605 42.059 0.109 0.000 0.896 228 L HN 0.140 nan 8.230 nan 0.000 0.432 229 K N 0.105 120.537 120.400 0.054 0.000 2.057 229 K HA -0.145 4.176 4.320 0.001 0.000 0.207 229 K C 2.055 178.679 176.600 0.039 0.000 1.049 229 K CA 1.340 57.645 56.287 0.029 0.000 0.931 229 K CB -0.190 32.309 32.500 -0.002 0.000 0.714 229 K HN 0.235 nan 8.250 nan 0.000 0.440 230 I N 0.996 121.596 120.570 0.050 0.000 2.202 230 I HA -0.281 3.890 4.170 0.001 0.000 0.242 230 I C 2.100 178.268 176.117 0.085 0.000 1.091 230 I CA 1.181 62.512 61.300 0.051 0.000 1.368 230 I CB -0.219 37.818 38.000 0.063 0.000 1.058 230 I HN 0.105 nan 8.210 nan 0.000 0.410 231 L N 0.117 121.413 121.223 0.122 0.000 2.083 231 L HA -0.197 4.144 4.340 0.001 0.000 0.209 231 L C 2.731 179.676 176.870 0.125 0.000 1.083 231 L CA 1.374 56.308 54.840 0.156 0.000 0.752 231 L CB -0.580 41.566 42.059 0.145 0.000 0.899 231 L HN 0.175 nan 8.230 nan 0.000 0.433 232 R N -0.124 120.430 120.500 0.089 0.000 2.075 232 R HA -0.196 4.144 4.340 0.001 0.000 0.232 232 R C 2.248 178.599 176.300 0.085 0.000 1.126 232 R CA 1.390 57.533 56.100 0.072 0.000 0.963 232 R CB -0.264 30.068 30.300 0.053 0.000 0.858 232 R HN 0.205 nan 8.270 nan 0.000 0.435 233 E N 1.199 121.447 120.200 0.081 0.000 2.085 233 E HA -0.153 4.198 4.350 0.001 0.000 0.194 233 E C 1.012 177.710 176.600 0.163 0.000 0.994 233 E CA 1.301 57.755 56.400 0.090 0.000 0.801 233 E CB -0.023 29.707 29.700 0.051 0.000 0.743 233 E HN 0.285 nan 8.360 nan 0.000 0.453 234 L N -0.089 121.246 121.223 0.186 0.000 2.791 234 L HA 0.387 4.728 4.340 0.001 0.000 0.239 234 L C 1.667 178.819 176.870 0.471 0.000 1.203 234 L CA 0.179 55.213 54.840 0.323 0.000 1.002 234 L CB 0.063 42.161 42.059 0.065 0.000 1.295 234 L HN 0.144 nan 8.230 nan 0.000 0.504 235 A N 0.969 123.955 122.820 0.277 0.000 1.972 235 A HA -0.210 4.111 4.320 0.001 0.000 0.219 235 A C 1.775 179.445 177.584 0.144 0.000 1.169 235 A CA 1.959 54.080 52.037 0.139 0.000 0.635 235 A CB -0.253 18.778 19.000 0.052 0.000 0.810 235 A HN 0.601 nan 8.150 nan 0.000 0.446 236 D N -2.160 118.347 120.400 0.178 0.000 2.340 236 D HA 0.157 4.797 4.640 0.001 0.000 0.217 236 D C 0.006 176.338 176.300 0.054 0.000 1.081 236 D CA -0.434 53.609 54.000 0.071 0.000 0.842 236 D CB -0.544 40.241 40.800 -0.024 0.000 0.934 236 D HN 0.285 nan 8.370 nan 0.000 0.511 237 F N 1.160 121.192 119.950 0.138 0.000 2.389 237 F HA 0.214 4.742 4.527 0.001 0.000 0.337 237 F C 0.891 176.763 175.800 0.120 0.000 1.112 237 F CA -0.718 57.334 58.000 0.086 0.000 1.192 237 F CB 0.925 39.938 39.000 0.023 0.000 1.185 237 F HN -0.239 nan 8.300 nan 0.000 0.552 238 D N 4.234 124.768 120.400 0.223 0.000 2.393 238 D HA 0.315 4.956 4.640 0.001 0.000 0.232 238 D C -1.118 175.246 176.300 0.108 0.000 1.192 238 D CA 0.077 54.169 54.000 0.153 0.000 0.882 238 D CB 0.039 40.887 40.800 0.080 0.000 1.038 238 D HN 0.320 nan 8.370 nan 0.000 0.499 239 L N 4.542 125.790 121.223 0.042 0.000 2.341 239 L HA 0.347 4.687 4.340 0.001 0.000 0.278 239 L C 0.928 177.826 176.870 0.048 0.000 1.005 239 L CA -1.080 53.724 54.840 -0.060 0.000 0.818 239 L CB 1.756 43.607 42.059 -0.346 0.000 1.259 239 L HN 0.355 nan 8.230 nan 0.000 0.418 240 F N 3.470 123.341 119.950 -0.133 0.000 2.134 240 F HA -0.071 4.456 4.527 0.001 0.000 0.299 240 F C 0.357 176.160 175.800 0.004 0.000 1.097 240 F CA 1.079 59.000 58.000 -0.132 0.000 1.264 240 F CB 0.326 39.134 39.000 -0.320 0.000 1.001 240 F HN 0.561 nan 8.300 nan 0.000 0.479 241 W N -1.047 120.329 121.300 0.127 0.000 3.066 241 W HA 0.568 5.229 4.660 0.001 0.000 0.330 241 W C -2.483 173.987 176.519 -0.081 0.000 1.253 241 W CA -2.256 55.087 57.345 -0.003 0.000 1.187 241 W CB 0.151 29.623 29.460 0.020 0.000 1.434 241 W HN -0.289 nan 8.180 nan 0.000 0.572 242 V N 2.329 122.406 119.914 0.271 0.000 2.409 242 V HA 0.355 4.475 4.120 0.001 0.000 0.291 242 V C -0.456 175.606 176.094 -0.053 0.000 1.020 242 V CA -0.766 61.602 62.300 0.113 0.000 0.848 242 V CB 1.197 33.039 31.823 0.031 0.000 0.990 242 V HN 0.600 nan 8.190 nan 0.000 0.430 243 E N 5.109 125.262 120.200 -0.078 0.000 2.134 243 E HA 0.625 4.975 4.350 0.001 0.000 0.278 243 E C -1.295 175.114 176.600 -0.319 0.000 0.959 243 E CA -0.457 55.754 56.400 -0.315 0.000 0.783 243 E CB 1.125 30.691 29.700 -0.223 0.000 1.095 243 E HN 0.655 nan 8.360 nan 0.000 0.399 244 I N 4.468 124.769 120.570 -0.448 0.000 2.468 244 I HA 0.214 4.385 4.170 0.001 0.000 0.285 244 I C -0.763 174.974 176.117 -0.632 0.000 1.039 244 I CA -0.869 60.085 61.300 -0.578 0.000 1.074 244 I CB 1.729 39.264 38.000 -0.776 0.000 1.228 244 I HN 0.405 nan 8.210 nan 0.000 0.436 245 D N 4.590 124.529 120.400 -0.770 0.000 2.256 245 D HA 0.427 5.068 4.640 0.001 0.000 0.250 245 D C -0.374 175.348 176.300 -0.962 0.000 1.093 245 D CA 0.212 53.547 54.000 -1.108 0.000 0.882 245 D CB 2.195 41.872 40.800 -1.871 0.000 1.185 245 D HN 0.379 nan 8.370 nan 0.000 0.437 246 S N 1.297 116.609 115.700 -0.646 0.000 2.535 246 S HA 0.261 4.732 4.470 0.001 0.000 0.272 246 S C -1.052 173.548 174.600 -0.000 0.000 1.149 246 S CA -0.613 57.481 58.200 -0.178 0.000 0.888 246 S CB 0.540 63.729 63.200 -0.019 0.000 1.110 246 S HN 0.296 nan 8.310 nan 0.000 0.463 247 Y N 1.911 122.431 120.300 0.367 0.000 2.571 247 Y HA 0.426 4.976 4.550 0.001 0.000 0.275 247 Y C 1.226 177.256 175.900 0.216 0.000 1.179 247 Y CA -0.307 58.005 58.100 0.353 0.000 1.242 247 Y CB 0.577 39.204 38.460 0.278 0.000 1.126 247 Y HN 0.485 nan 8.280 nan 0.000 0.524 248 S N 1.239 117.118 115.700 0.298 0.000 2.516 248 S HA 0.322 4.792 4.470 0.001 0.000 0.268 248 S C -2.011 172.604 174.600 0.025 0.000 1.251 248 S CA -1.657 56.618 58.200 0.126 0.000 1.153 248 S CB 0.712 63.990 63.200 0.130 0.000 1.009 248 S HN -0.049 nan 8.310 nan 0.000 0.479 249 P HA -0.170 nan 4.420 nan 0.000 0.216 249 P C 1.480 178.723 177.300 -0.096 0.000 1.150 249 P CA 0.905 63.732 63.100 -0.454 0.000 0.837 249 P CB 0.145 31.390 31.700 -0.757 0.000 0.786 250 Q N -0.311 119.459 119.800 -0.051 0.000 2.084 250 Q HA -0.115 4.226 4.340 0.001 0.000 0.202 250 Q C 2.158 178.217 176.000 0.098 0.000 0.978 250 Q CA 2.066 57.887 55.803 0.031 0.000 0.844 250 Q CB -1.002 27.750 28.738 0.023 0.000 0.898 250 Q HN 0.173 nan 8.270 nan 0.000 0.426 251 G N 1.181 110.037 108.800 0.093 0.000 2.404 251 G HA2 -0.245 3.716 3.960 0.001 0.000 0.215 251 G HA3 -0.245 3.716 3.960 0.001 0.000 0.215 251 G C 1.344 176.346 174.900 0.171 0.000 1.174 251 G CA 0.744 45.923 45.100 0.132 0.000 0.780 251 G HN 0.374 nan 8.290 nan 0.000 0.537 252 L N 1.455 122.759 121.223 0.135 0.000 2.046 252 L HA 0.142 4.482 4.340 0.001 0.000 0.208 252 L C 3.046 179.981 176.870 0.108 0.000 1.077 252 L CA 2.092 56.992 54.840 0.100 0.000 0.747 252 L CB -0.689 41.444 42.059 0.124 0.000 0.896 252 L HN 0.235 nan 8.230 nan 0.000 0.432 253 A N -1.554 121.340 122.820 0.123 0.000 1.933 253 A HA -0.293 4.027 4.320 0.001 0.000 0.218 253 A C 2.297 179.951 177.584 0.117 0.000 1.175 253 A CA 1.819 53.916 52.037 0.100 0.000 0.628 253 A CB -1.160 17.892 19.000 0.086 0.000 0.814 253 A HN 0.626 nan 8.150 nan 0.000 0.444 254 Y N 0.474 120.826 120.300 0.086 0.000 2.145 254 Y HA -0.197 4.354 4.550 0.001 0.000 0.286 254 Y C 2.412 178.438 175.900 0.210 0.000 1.145 254 Y CA 2.026 60.215 58.100 0.149 0.000 1.148 254 Y CB -0.249 38.273 38.460 0.104 0.000 0.981 254 Y HN 0.082 nan 8.280 nan 0.000 0.507 255 V N 1.009 121.087 119.914 0.273 0.000 2.287 255 V HA -0.347 3.773 4.120 0.001 0.000 0.248 255 V C 2.550 178.691 176.094 0.078 0.000 1.053 255 V CA 2.379 64.790 62.300 0.185 0.000 1.027 255 V CB -0.759 31.146 31.823 0.136 0.000 0.646 255 V HN 0.374 nan 8.190 nan 0.000 0.447 256 R N 0.352 120.868 120.500 0.026 0.000 2.091 256 R HA -0.229 4.112 4.340 0.001 0.000 0.238 256 R C 2.200 178.456 176.300 -0.074 0.000 1.136 256 R CA 2.121 58.207 56.100 -0.024 0.000 0.959 256 R CB -0.460 29.821 30.300 -0.030 0.000 0.856 256 R HN 0.554 nan 8.270 nan 0.000 0.437 257 N N 0.147 118.773 118.700 -0.124 0.000 2.272 257 N HA -0.162 4.579 4.740 0.001 0.000 0.185 257 N C 0.451 175.669 175.510 -0.487 0.000 1.014 257 N CA 1.410 54.284 53.050 -0.294 0.000 0.870 257 N CB -0.065 38.201 38.487 -0.368 0.000 0.975 257 N HN 0.387 nan 8.380 nan 0.000 0.433 258 H N -1.876 117.070 119.070 -0.207 0.000 2.505 258 H HA 0.354 4.911 4.556 0.001 0.000 0.289 258 H C -0.313 174.960 175.328 -0.091 0.000 1.052 258 H CA -0.200 55.755 56.048 -0.155 0.000 1.156 258 H CB 0.283 29.942 29.762 -0.173 0.000 1.507 258 H HN -0.041 nan 8.280 nan 0.000 0.548 259 S N 1.695 117.378 115.700 -0.029 0.000 2.462 259 S HA 0.201 4.672 4.470 0.001 0.000 0.294 259 S C -1.606 172.925 174.600 -0.115 0.000 1.144 259 S CA -1.485 56.693 58.200 -0.037 0.000 1.088 259 S CB 0.962 64.161 63.200 -0.002 0.000 1.009 259 S HN 0.196 nan 8.310 nan 0.000 0.484 260 P HA 0.216 nan 4.420 nan 0.000 0.261 260 P C -0.546 176.529 177.300 -0.375 0.000 1.268 260 P CA 0.122 63.036 63.100 -0.309 0.000 0.833 260 P CB 0.079 31.555 31.700 -0.374 0.000 1.231 261 H N 0.344 119.417 119.070 0.005 0.000 2.621 261 H HA 0.426 4.982 4.556 0.001 0.000 0.360 261 H C -2.426 172.897 175.328 -0.009 0.000 1.163 261 H CA -2.762 53.292 56.048 0.009 0.000 1.194 261 H CB 0.729 30.512 29.762 0.035 0.000 1.649 261 H HN -0.101 nan 8.280 nan 0.000 0.532 262 P HA 0.025 nan 4.420 nan 0.000 0.268 262 P C -0.160 177.170 177.300 0.050 0.000 1.204 262 P CA 0.065 63.193 63.100 0.048 0.000 0.768 262 P CB 0.585 32.297 31.700 0.020 0.000 0.842 263 I N 2.218 122.762 120.570 -0.043 0.000 2.354 263 I HA 0.254 4.424 4.170 0.001 0.000 0.292 263 I C 0.675 176.633 176.117 -0.266 0.000 0.989 263 I CA -0.388 60.833 61.300 -0.132 0.000 1.188 263 I CB 1.201 39.129 38.000 -0.120 0.000 1.342 263 I HN 0.353 nan 8.210 nan 0.000 0.457 264 S N 4.345 119.751 115.700 -0.489 0.000 2.578 264 S HA 0.870 5.341 4.470 0.001 0.000 0.301 264 S C -0.355 173.889 174.600 -0.595 0.000 1.091 264 S CA -0.561 57.214 58.200 -0.709 0.000 1.032 264 S CB 2.752 65.023 63.200 -1.547 0.000 1.064 264 S HN 0.642 nan 8.310 nan 0.000 0.508 265 S N -0.481 114.911 115.700 -0.513 0.000 2.703 265 S HA 0.601 5.072 4.470 0.001 0.000 0.273 265 S C -0.803 173.506 174.600 -0.485 0.000 1.178 265 S CA 0.087 57.977 58.200 -0.517 0.000 0.838 265 S CB 0.449 63.343 63.200 -0.509 0.000 1.178 265 S HN 1.769 nan 8.310 nan 0.000 0.494 266 C N 0.458 119.392 119.300 -0.609 0.000 5.593 266 C HA -0.067 4.393 4.460 0.001 0.000 0.210 266 C C 1.614 176.302 174.990 -0.503 0.000 1.133 266 C CA 0.741 59.334 59.018 -0.708 0.000 1.158 266 C CB -2.638 24.666 27.740 -0.727 0.000 2.048 266 C HN 1.041 nan 8.230 nan 0.000 0.649 267 E N 1.821 121.765 120.200 -0.428 0.000 2.401 267 E HA -0.178 4.173 4.350 0.001 0.000 0.199 267 E C 1.313 177.692 176.600 -0.369 0.000 1.023 267 E CA 1.765 57.919 56.400 -0.411 0.000 0.859 267 E CB -0.223 29.044 29.700 -0.720 0.000 0.780 267 E HN 0.840 nan 8.360 nan 0.000 0.523 268 T N -1.291 113.121 114.554 -0.237 0.000 3.092 268 T HA 0.304 4.655 4.350 0.001 0.000 0.258 268 T C 0.502 175.298 174.700 0.160 0.000 1.031 268 T CA -0.518 61.611 62.100 0.048 0.000 0.925 268 T CB -0.135 68.973 68.868 0.400 0.000 1.036 268 T HN 0.021 nan 8.240 nan 0.000 0.544 269 L N 0.968 122.106 121.223 -0.142 0.000 2.352 269 L HA 0.652 4.993 4.340 0.001 0.000 0.269 269 L C -0.871 175.968 176.870 -0.051 0.000 1.034 269 L CA -1.392 53.391 54.840 -0.095 0.000 0.806 269 L CB 1.352 43.056 42.059 -0.592 0.000 1.244 269 L HN 0.105 nan 8.230 nan 0.000 0.447 270 F N 0.298 120.451 119.950 0.339 0.000 2.477 270 F HA 0.653 5.180 4.527 0.001 0.000 0.335 270 F C 0.753 176.763 175.800 0.350 0.000 1.130 270 F CA -0.497 57.731 58.000 0.379 0.000 0.948 270 F CB 1.785 40.966 39.000 0.302 0.000 1.154 270 F HN 0.649 nan 8.300 nan 0.000 0.439 271 G N 2.840 111.922 108.800 0.469 0.000 2.819 271 G HA2 -0.239 3.722 3.960 0.001 0.000 0.682 271 G HA3 -0.239 3.722 3.960 0.001 0.000 0.682 271 G C 0.661 175.698 174.900 0.228 0.000 1.481 271 G CA -0.467 44.793 45.100 0.266 0.000 0.904 271 G HN 0.731 nan 8.290 nan 0.000 0.563 272 I N 0.557 121.131 120.570 0.007 0.000 2.248 272 I HA -0.251 3.920 4.170 0.001 0.000 0.248 272 I C 3.072 179.140 176.117 -0.082 0.000 1.107 272 I CA 2.102 63.299 61.300 -0.173 0.000 1.373 272 I CB -0.312 37.417 38.000 -0.451 0.000 1.055 272 I HN 0.621 nan 8.210 nan 0.000 0.418 273 R N 0.556 121.057 120.500 0.001 0.000 2.103 273 R HA -0.206 4.134 4.340 0.001 0.000 0.242 273 R C 2.083 178.463 176.300 0.133 0.000 1.142 273 R CA 1.632 57.760 56.100 0.048 0.000 0.960 273 R CB -0.300 30.048 30.300 0.079 0.000 0.858 273 R HN 0.504 nan 8.270 nan 0.000 0.439 274 E N -0.665 119.671 120.200 0.227 0.000 2.216 274 E HA -0.083 4.268 4.350 0.001 0.000 0.192 274 E C 1.619 178.359 176.600 0.234 0.000 0.988 274 E CA 0.652 57.199 56.400 0.245 0.000 0.834 274 E CB 0.053 29.921 29.700 0.280 0.000 0.772 274 E HN 0.298 nan 8.360 nan 0.000 0.479 275 F N 1.505 121.484 119.950 0.048 0.000 2.293 275 F HA -0.061 4.467 4.527 0.001 0.000 0.297 275 F C 2.437 178.127 175.800 -0.184 0.000 1.089 275 F CA 0.798 58.706 58.000 -0.154 0.000 1.377 275 F CB 0.074 38.851 39.000 -0.372 0.000 1.051 275 F HN -0.132 nan 8.300 nan 0.000 0.511 276 K N 0.830 121.346 120.400 0.193 0.000 2.044 276 K HA -0.189 4.131 4.320 0.001 0.000 0.210 276 K C -0.912 175.790 176.600 0.169 0.000 1.049 276 K CA 1.772 58.225 56.287 0.276 0.000 0.927 276 K CB -1.228 31.382 32.500 0.183 0.000 0.713 276 K HN 0.087 nan 8.250 nan 0.000 0.443 277 P HA -0.123 nan 4.420 nan 0.000 0.219 277 P C 0.782 178.003 177.300 -0.132 0.000 1.146 277 P CA 1.249 64.311 63.100 -0.064 0.000 0.808 277 P CB -0.073 31.505 31.700 -0.203 0.000 0.779 278 F N -1.874 118.081 119.950 0.009 0.000 2.163 278 F HA -0.092 4.436 4.527 0.001 0.000 0.297 278 F C 2.215 178.121 175.800 0.177 0.000 1.094 278 F CA 1.051 59.079 58.000 0.048 0.000 1.290 278 F CB -1.129 37.862 39.000 -0.015 0.000 1.017 278 F HN -0.187 nan 8.300 nan 0.000 0.483 279 F N 0.581 120.586 119.950 0.091 0.000 2.146 279 F HA -0.139 4.389 4.527 0.001 0.000 0.298 279 F C 2.177 177.902 175.800 -0.126 0.000 1.096 279 F CA 0.772 58.643 58.000 -0.215 0.000 1.275 279 F CB -1.419 37.114 39.000 -0.778 0.000 1.008 279 F HN -0.012 nan 8.300 nan 0.000 0.480 280 D N 0.108 120.622 120.400 0.189 0.000 2.182 280 D HA -0.106 4.535 4.640 0.001 0.000 0.201 280 D C 2.142 178.513 176.300 0.119 0.000 0.986 280 D CA 1.318 55.427 54.000 0.182 0.000 0.847 280 D CB -0.327 40.571 40.800 0.162 0.000 0.942 280 D HN 0.218 nan 8.370 nan 0.000 0.467 281 A N 0.126 123.001 122.820 0.091 0.000 2.251 281 A HA 0.004 4.324 4.320 0.001 0.000 0.209 281 A C 0.445 178.071 177.584 0.071 0.000 1.187 281 A CA -0.042 52.032 52.037 0.063 0.000 0.823 281 A CB -0.112 18.899 19.000 0.019 0.000 0.846 281 A HN 0.094 nan 8.150 nan 0.000 0.486 282 N N -1.813 116.937 118.700 0.083 0.000 2.735 282 N HA -0.226 4.515 4.740 0.001 0.000 0.248 282 N C 0.817 176.358 175.510 0.052 0.000 1.083 282 N CA 0.876 53.955 53.050 0.049 0.000 0.703 282 N CB -1.418 37.081 38.487 0.021 0.000 1.005 282 N HN 0.673 nan 8.380 nan 0.000 0.550 283 A N -0.827 122.061 122.820 0.113 0.000 2.123 283 A HA 0.229 4.550 4.320 0.001 0.000 0.214 283 A C 1.051 178.673 177.584 0.063 0.000 1.152 283 A CA 1.314 53.424 52.037 0.123 0.000 0.728 283 A CB 0.448 19.607 19.000 0.265 0.000 0.814 283 A HN 0.509 nan 8.150 nan 0.000 0.464 284 V N -3.748 116.190 119.914 0.039 0.000 2.789 284 V HA 0.554 4.674 4.120 0.001 0.000 0.311 284 V C -0.215 175.823 176.094 -0.093 0.000 1.073 284 V CA -0.513 61.761 62.300 -0.043 0.000 0.921 284 V CB 1.673 33.476 31.823 -0.033 0.000 1.009 284 V HN 0.183 nan 8.190 nan 0.000 0.426 285 D N 2.274 122.608 120.400 -0.111 0.000 2.120 285 D HA 0.132 4.772 4.640 0.001 0.000 0.202 285 D C 0.385 176.609 176.300 -0.127 0.000 0.972 285 D CA 1.501 55.434 54.000 -0.111 0.000 0.837 285 D CB 0.257 41.005 40.800 -0.087 0.000 0.989 285 D HN 0.484 nan 8.370 nan 0.000 0.469 286 V N 0.376 120.197 119.914 -0.156 0.000 2.656 286 V HA 0.661 4.781 4.120 0.001 0.000 0.307 286 V C -0.648 175.349 176.094 -0.162 0.000 1.051 286 V CA -1.208 61.004 62.300 -0.146 0.000 0.893 286 V CB 1.839 33.569 31.823 -0.156 0.000 0.999 286 V HN 0.099 nan 8.190 nan 0.000 0.426 287 A N 5.766 128.569 122.820 -0.027 0.000 2.249 287 A HA 0.787 5.108 4.320 0.001 0.000 0.314 287 A C -0.444 177.202 177.584 0.104 0.000 1.290 287 A CA -0.387 51.727 52.037 0.128 0.000 0.893 287 A CB 0.106 19.389 19.000 0.472 0.000 1.165 287 A HN 0.786 nan 8.150 nan 0.000 0.530 288 I N 2.961 123.522 120.570 -0.014 0.000 2.416 288 I HA 0.245 4.415 4.170 0.001 0.000 0.288 288 I C -0.444 175.749 176.117 0.126 0.000 1.051 288 I CA -0.201 61.096 61.300 -0.006 0.000 1.375 288 I CB 1.383 39.268 38.000 -0.191 0.000 1.407 288 I HN 0.288 nan 8.210 nan 0.000 0.516 289 V N 5.542 125.543 119.914 0.146 0.000 2.384 289 V HA 0.202 4.323 4.120 0.001 0.000 0.287 289 V C -0.138 175.966 176.094 0.016 0.000 1.020 289 V CA -0.643 61.739 62.300 0.136 0.000 0.850 289 V CB 1.733 33.572 31.823 0.025 0.000 0.987 289 V HN 0.626 nan 8.190 nan 0.000 0.436 290 D N 3.602 124.013 120.400 0.019 0.000 2.411 290 D HA 0.105 4.745 4.640 0.001 0.000 0.225 290 D C 1.342 177.641 176.300 -0.001 0.000 1.156 290 D CA 0.136 54.137 54.000 0.002 0.000 0.874 290 D CB 1.777 42.494 40.800 -0.138 0.000 1.034 290 D HN 0.744 nan 8.370 nan 0.000 0.502 291 T N 1.373 115.860 114.554 -0.113 0.000 3.023 291 T HA -0.073 4.277 4.350 0.001 0.000 0.266 291 T C 1.932 176.628 174.700 -0.007 0.000 1.093 291 T CA 0.199 62.205 62.100 -0.155 0.000 1.129 291 T CB 0.057 68.668 68.868 -0.428 0.000 0.899 291 T HN 0.280 nan 8.240 nan 0.000 0.491 292 I N -0.117 120.469 120.570 0.027 0.000 2.252 292 I HA 0.019 4.189 4.170 0.001 0.000 0.245 292 I C 2.174 178.470 176.117 0.298 0.000 1.102 292 I CA 0.588 61.924 61.300 0.059 0.000 1.385 292 I CB -1.470 36.466 38.000 -0.106 0.000 1.064 292 I HN 0.320 nan 8.210 nan 0.000 0.414 293 W N 1.553 122.902 121.300 0.083 0.000 2.379 293 W HA -0.060 4.601 4.660 0.001 0.000 0.307 293 W C 2.586 179.268 176.519 0.273 0.000 1.200 293 W CA 0.666 58.130 57.345 0.198 0.000 1.297 293 W CB -1.302 28.233 29.460 0.124 0.000 1.140 293 W HN 0.192 nan 8.180 nan 0.000 0.507 294 N N -0.815 118.133 118.700 0.412 0.000 2.354 294 N HA 0.078 4.818 4.740 0.001 0.000 0.179 294 N C 0.766 176.459 175.510 0.304 0.000 1.021 294 N CA 1.613 54.885 53.050 0.370 0.000 0.887 294 N CB 0.109 38.732 38.487 0.227 0.000 0.974 294 N HN 0.084 nan 8.380 nan 0.000 0.437 295 G N 0.144 109.090 108.800 0.244 0.000 2.777 295 G HA2 -0.198 3.763 3.960 0.001 0.000 0.686 295 G HA3 -0.198 3.763 3.960 0.001 0.000 0.686 295 G C 0.628 175.638 174.900 0.182 0.000 1.177 295 G CA -0.414 44.823 45.100 0.229 0.000 0.775 295 G HN 0.004 nan 8.290 nan 0.000 0.613 296 V N 2.710 122.761 119.914 0.229 0.000 2.515 296 V HA -0.113 4.007 4.120 0.001 0.000 0.250 296 V C 2.354 178.645 176.094 0.327 0.000 1.058 296 V CA 2.576 65.032 62.300 0.260 0.000 1.064 296 V CB -0.517 31.565 31.823 0.433 0.000 0.675 296 V HN 0.778 nan 8.190 nan 0.000 0.461 297 W N 0.570 121.949 121.300 0.131 0.000 2.381 297 W HA -0.161 4.500 4.660 0.001 0.000 0.301 297 W C 2.402 178.940 176.519 0.032 0.000 1.205 297 W CA 1.419 58.825 57.345 0.101 0.000 1.285 297 W CB -0.052 29.471 29.460 0.105 0.000 1.133 297 W HN 0.290 nan 8.180 nan 0.000 0.521 298 Q N 0.164 120.022 119.800 0.096 0.000 2.124 298 Q HA -0.129 4.211 4.340 0.001 0.000 0.202 298 Q C 2.143 178.121 176.000 -0.037 0.000 0.977 298 Q CA 1.750 57.508 55.803 -0.076 0.000 0.850 298 Q CB -1.066 27.608 28.738 -0.105 0.000 0.901 298 Q HN 0.195 nan 8.270 nan 0.000 0.429 299 S N 0.520 116.235 115.700 0.025 0.000 2.402 299 S HA -0.053 4.418 4.470 0.001 0.000 0.229 299 S C 1.851 176.560 174.600 0.182 0.000 1.021 299 S CA 0.790 59.005 58.200 0.025 0.000 0.974 299 S CB -0.039 63.060 63.200 -0.168 0.000 0.800 299 S HN 0.280 nan 8.310 nan 0.000 0.484 300 M N 1.698 121.376 119.600 0.130 0.000 2.159 300 M HA -0.042 4.439 4.480 0.001 0.000 0.263 300 M C 1.807 178.066 176.300 -0.068 0.000 1.063 300 M CA 1.395 56.708 55.300 0.021 0.000 1.110 300 M CB -1.164 31.309 32.600 -0.211 0.000 1.374 300 M HN 0.267 nan 8.290 nan 0.000 0.411 301 K N 0.320 120.641 120.400 -0.131 0.000 2.026 301 K HA -0.092 4.229 4.320 0.001 0.000 0.208 301 K C 2.000 178.597 176.600 -0.005 0.000 1.048 301 K CA 1.265 57.494 56.287 -0.096 0.000 0.929 301 K CB -0.332 32.092 32.500 -0.127 0.000 0.713 301 K HN 0.275 nan 8.250 nan 0.000 0.439 302 I N 1.191 121.740 120.570 -0.035 0.000 2.226 302 I HA -0.287 3.884 4.170 0.001 0.000 0.245 302 I C 2.572 178.723 176.117 0.057 0.000 1.100 302 I CA 1.149 62.407 61.300 -0.071 0.000 1.374 302 I CB -0.457 37.319 38.000 -0.372 0.000 1.057 302 I HN 0.164 nan 8.210 nan 0.000 0.413 303 A N 0.844 123.715 122.820 0.084 0.000 1.908 303 A HA -0.194 4.126 4.320 0.001 0.000 0.218 303 A C 2.562 180.191 177.584 0.075 0.000 1.181 303 A CA 1.979 54.077 52.037 0.101 0.000 0.627 303 A CB -0.904 18.151 19.000 0.092 0.000 0.818 303 A HN 0.438 nan 8.150 nan 0.000 0.445 304 A N -1.234 121.627 122.820 0.068 0.000 1.933 304 A HA -0.057 4.264 4.320 0.001 0.000 0.218 304 A C 2.033 179.717 177.584 0.167 0.000 1.175 304 A CA 1.703 53.783 52.037 0.073 0.000 0.628 304 A CB -0.700 18.324 19.000 0.039 0.000 0.814 304 A HN 0.714 nan 8.150 nan 0.000 0.444 305 F N 1.106 121.102 119.950 0.076 0.000 2.102 305 F HA -0.032 4.496 4.527 0.001 0.000 0.298 305 F C 2.484 178.469 175.800 0.308 0.000 1.105 305 F CA 0.994 59.106 58.000 0.186 0.000 1.239 305 F CB -0.699 38.407 39.000 0.177 0.000 0.991 305 F HN 0.239 nan 8.300 nan 0.000 0.474 306 A N -0.217 122.695 122.820 0.153 0.000 1.902 306 A HA -0.245 4.075 4.320 0.001 0.000 0.217 306 A C 1.959 179.465 177.584 -0.131 0.000 1.181 306 A CA 1.994 53.970 52.037 -0.102 0.000 0.623 306 A CB -1.300 17.693 19.000 -0.011 0.000 0.818 306 A HN 0.488 nan 8.150 nan 0.000 0.443 307 D N -0.147 120.231 120.400 -0.037 0.000 2.149 307 D HA -0.062 4.578 4.640 0.001 0.000 0.198 307 D C 1.933 178.196 176.300 -0.062 0.000 0.990 307 D CA 1.557 55.529 54.000 -0.047 0.000 0.839 307 D CB -0.182 40.605 40.800 -0.022 0.000 0.948 307 D HN 0.356 nan 8.370 nan 0.000 0.460 308 A N -0.924 121.865 122.820 -0.051 0.000 2.067 308 A HA -0.131 4.190 4.320 0.001 0.000 0.219 308 A C 1.668 179.126 177.584 -0.211 0.000 1.158 308 A CA 0.958 52.934 52.037 -0.101 0.000 0.661 308 A CB -0.585 18.380 19.000 -0.058 0.000 0.801 308 A HN 0.422 nan 8.150 nan 0.000 0.452 309 H N -0.364 118.568 119.070 -0.230 0.000 2.526 309 H HA 0.039 4.595 4.556 0.001 0.000 0.274 309 H C -0.403 174.777 175.328 -0.248 0.000 0.999 309 H CA 0.422 56.307 56.048 -0.272 0.000 1.157 309 H CB 0.226 29.702 29.762 -0.475 0.000 1.407 309 H HN 0.385 nan 8.280 nan 0.000 0.568 310 D N 0.882 121.217 120.400 -0.109 0.000 2.689 310 D HA -0.186 4.455 4.640 0.001 0.000 0.237 310 D C -0.166 176.050 176.300 -0.140 0.000 1.148 310 D CA 0.677 54.614 54.000 -0.106 0.000 0.656 310 D CB -1.570 39.180 40.800 -0.083 0.000 1.050 310 D HN 0.471 nan 8.370 nan 0.000 0.426 311 I N 0.592 121.039 120.570 -0.204 0.000 2.378 311 I HA 0.185 4.356 4.170 0.001 0.000 0.291 311 I C 0.622 176.651 176.117 -0.147 0.000 0.992 311 I CA -0.787 60.366 61.300 -0.246 0.000 1.154 311 I CB 1.405 39.088 38.000 -0.528 0.000 1.315 311 I HN -0.211 nan 8.210 nan 0.000 0.448 312 N N 4.743 123.395 118.700 -0.080 0.000 2.515 312 N HA 0.497 5.237 4.740 0.001 0.000 0.279 312 N C -0.651 174.880 175.510 0.036 0.000 1.164 312 N CA -0.382 52.662 53.050 -0.010 0.000 0.982 312 N CB 1.895 40.395 38.487 0.022 0.000 1.170 312 N HN 0.386 nan 8.380 nan 0.000 0.474 313 V N -2.217 117.753 119.914 0.095 0.000 2.919 313 V HA 0.994 5.115 4.120 0.001 0.000 0.316 313 V C -0.520 175.720 176.094 0.243 0.000 1.077 313 V CA -1.123 61.277 62.300 0.167 0.000 0.977 313 V CB 1.372 33.324 31.823 0.215 0.000 1.039 313 V HN 0.697 nan 8.190 nan 0.000 0.441 314 A N 3.629 126.614 122.820 0.276 0.000 2.398 314 A HA 0.957 5.277 4.320 0.001 0.000 0.301 314 A C -3.061 174.710 177.584 0.311 0.000 1.041 314 A CA -1.898 50.351 52.037 0.353 0.000 0.711 314 A CB 1.790 21.097 19.000 0.511 0.000 1.240 314 A HN 0.738 nan 8.150 nan 0.000 0.420 315 P HA 0.106 nan 4.420 nan 0.000 0.271 315 P C -0.643 176.787 177.300 0.217 0.000 1.218 315 P CA 0.239 63.457 63.100 0.196 0.000 0.780 315 P CB 0.262 32.074 31.700 0.187 0.000 0.901 316 H N 2.906 122.000 119.070 0.040 0.000 2.723 316 H HA 0.283 4.839 4.556 0.001 0.000 0.294 316 H C -0.617 174.781 175.328 0.116 0.000 1.079 316 H CA -0.382 55.687 56.048 0.036 0.000 1.411 316 H CB 0.138 29.871 29.762 -0.048 0.000 1.439 316 H HN 0.269 nan 8.280 nan 0.000 0.474 317 N N 5.419 124.164 118.700 0.074 0.000 2.621 317 N HA 0.072 4.813 4.740 0.001 0.000 0.271 317 N C -1.350 174.145 175.510 -0.024 0.000 1.181 317 N CA -0.584 52.478 53.050 0.020 0.000 0.805 317 N CB 0.178 38.687 38.487 0.037 0.000 1.351 317 N HN 0.607 nan 8.380 nan 0.000 0.539 318 F N 1.300 120.869 119.950 -0.635 0.000 2.697 318 F HA 0.485 5.013 4.527 0.001 0.000 0.367 318 F C -1.343 174.179 175.800 -0.463 0.000 1.300 318 F CA -0.598 57.121 58.000 -0.467 0.000 1.121 318 F CB -0.324 38.487 39.000 -0.316 0.000 1.188 318 F HN 0.082 nan 8.300 nan 0.000 0.511 319 Y N 0.645 120.749 120.300 -0.326 0.000 3.267 319 Y HA 0.847 5.398 4.550 0.001 0.000 0.326 319 Y C 1.435 177.140 175.900 -0.326 0.000 1.464 319 Y CA -0.873 56.985 58.100 -0.403 0.000 0.870 319 Y CB -0.503 37.659 38.460 -0.498 0.000 1.253 319 Y HN 0.012 nan 8.280 nan 0.000 0.792 320 G N -1.088 107.438 108.800 -0.458 0.000 2.543 320 G HA2 0.167 4.128 3.960 0.001 0.000 0.290 320 G HA3 0.167 4.128 3.960 0.001 0.000 0.290 320 G C 0.048 174.689 174.900 -0.431 0.000 1.310 320 G CA -0.221 44.518 45.100 -0.601 0.000 1.025 320 G HN 0.612 nan 8.290 nan 0.000 0.502 321 H N -0.820 117.792 119.070 -0.763 0.000 2.387 321 H HA -0.092 4.464 4.556 0.001 0.000 0.299 321 H C 2.407 177.297 175.328 -0.729 0.000 1.090 321 H CA 1.149 56.729 56.048 -0.780 0.000 1.332 321 H CB -0.215 28.982 29.762 -0.942 0.000 1.386 321 H HN 0.237 nan 8.280 nan 0.000 0.516 322 L N 0.216 120.967 121.223 -0.786 0.000 2.046 322 L HA -0.124 4.216 4.340 0.001 0.000 0.208 322 L C 2.306 179.030 176.870 -0.244 0.000 1.077 322 L CA 1.302 55.954 54.840 -0.313 0.000 0.747 322 L CB -0.920 41.146 42.059 0.011 0.000 0.896 322 L HN 0.206 nan 8.230 nan 0.000 0.432 323 C N -0.863 118.294 119.300 -0.237 0.000 2.413 323 C HA -0.166 4.295 4.460 0.001 0.000 0.277 323 C C 2.622 177.532 174.990 -0.133 0.000 1.265 323 C CA 1.432 60.337 59.018 -0.189 0.000 1.752 323 C CB -1.359 26.329 27.740 -0.086 0.000 1.998 323 C HN 0.625 nan 8.230 nan 0.000 0.489 324 T N 0.899 115.391 114.554 -0.104 0.000 2.746 324 T HA -0.141 4.209 4.350 0.001 0.000 0.267 324 T C 1.828 176.491 174.700 -0.061 0.000 1.039 324 T CA 1.320 63.390 62.100 -0.050 0.000 1.142 324 T CB -0.188 68.668 68.868 -0.018 0.000 0.866 324 T HN 0.360 nan 8.240 nan 0.000 0.444 325 M N 0.410 119.952 119.600 -0.097 0.000 2.254 325 M HA 0.142 4.622 4.480 0.001 0.000 0.265 325 M C 2.265 178.557 176.300 -0.014 0.000 1.066 325 M CA 1.003 56.291 55.300 -0.020 0.000 1.123 325 M CB -1.161 31.450 32.600 0.019 0.000 1.388 325 M HN 0.277 nan 8.290 nan 0.000 0.425 326 I N 0.688 121.081 120.570 -0.294 0.000 2.127 326 I HA -0.345 3.826 4.170 0.001 0.000 0.241 326 I C 2.193 178.178 176.117 -0.220 0.000 1.075 326 I CA 1.156 62.030 61.300 -0.710 0.000 1.334 326 I CB -0.555 36.845 38.000 -1.000 0.000 1.040 326 I HN 0.342 nan 8.210 nan 0.000 0.405 327 N N 0.947 119.588 118.700 -0.099 0.000 2.223 327 N HA -0.119 4.622 4.740 0.001 0.000 0.185 327 N C 1.881 177.506 175.510 0.192 0.000 1.016 327 N CA 1.480 54.572 53.050 0.071 0.000 0.863 327 N CB -0.254 38.263 38.487 0.051 0.000 0.983 327 N HN 0.361 nan 8.380 nan 0.000 0.429 328 A N 1.614 124.514 122.820 0.133 0.000 1.940 328 A HA -0.129 4.191 4.320 0.001 0.000 0.219 328 A C 2.071 179.790 177.584 0.225 0.000 1.176 328 A CA 1.199 53.326 52.037 0.150 0.000 0.631 328 A CB -0.425 18.633 19.000 0.096 0.000 0.814 328 A HN 0.312 nan 8.150 nan 0.000 0.446 329 N N -1.338 117.559 118.700 0.329 0.000 2.171 329 N HA -0.121 4.619 4.740 0.001 0.000 0.184 329 N C 1.611 177.360 175.510 0.398 0.000 1.021 329 N CA 1.502 54.819 53.050 0.444 0.000 0.854 329 N CB -0.358 38.508 38.487 0.631 0.000 0.994 329 N HN 0.555 nan 8.380 nan 0.000 0.426 330 F N 2.347 122.436 119.950 0.233 0.000 2.095 330 F HA -0.157 4.371 4.527 0.001 0.000 0.298 330 F C 2.369 178.237 175.800 0.114 0.000 1.104 330 F CA 1.570 59.669 58.000 0.165 0.000 1.232 330 F CB -0.434 38.640 39.000 0.124 0.000 0.987 330 F HN -0.025 nan 8.300 nan 0.000 0.475 331 A N 0.430 123.338 122.820 0.147 0.000 1.972 331 A HA -0.047 4.273 4.320 0.001 0.000 0.219 331 A C 2.376 179.920 177.584 -0.067 0.000 1.169 331 A CA 1.634 53.671 52.037 0.000 0.000 0.635 331 A CB -1.565 17.514 19.000 0.131 0.000 0.810 331 A HN 0.559 nan 8.150 nan 0.000 0.446 332 A N -0.585 122.223 122.820 -0.021 0.000 1.972 332 A HA 0.211 4.531 4.320 0.001 0.000 0.219 332 A C 2.270 179.776 177.584 -0.131 0.000 1.169 332 A CA 1.965 53.943 52.037 -0.099 0.000 0.635 332 A CB -0.560 18.346 19.000 -0.155 0.000 0.810 332 A HN 1.057 nan 8.150 nan 0.000 0.446 333 A N -1.219 121.536 122.820 -0.109 0.000 2.197 333 A HA 0.463 4.783 4.320 0.001 0.000 0.210 333 A C 0.652 178.136 177.584 -0.167 0.000 1.180 333 A CA 0.164 52.141 52.037 -0.099 0.000 0.846 333 A CB 0.065 19.060 19.000 -0.008 0.000 0.884 333 A HN 0.220 nan 8.150 nan 0.000 0.487 334 V N 2.718 122.462 119.914 -0.284 0.000 2.408 334 V HA 0.134 4.254 4.120 0.001 0.000 0.267 334 V C -1.117 174.872 176.094 -0.174 0.000 1.047 334 V CA -0.965 61.152 62.300 -0.305 0.000 0.937 334 V CB 1.210 32.697 31.823 -0.560 0.000 0.999 334 V HN 0.342 nan 8.190 nan 0.000 0.472 335 P HA -0.096 nan 4.420 nan 0.000 0.216 335 P C 0.531 177.795 177.300 -0.061 0.000 1.153 335 P CA 0.953 64.007 63.100 -0.077 0.000 0.844 335 P CB 0.029 31.693 31.700 -0.059 0.000 0.787 336 N N 1.118 119.781 118.700 -0.061 0.000 3.303 336 N HA 0.097 4.838 4.740 0.001 0.000 0.304 336 N C -0.435 175.067 175.510 -0.012 0.000 1.302 336 N CA -0.271 52.757 53.050 -0.036 0.000 1.213 336 N CB -0.525 37.939 38.487 -0.038 0.000 1.481 336 N HN 0.110 nan 8.380 nan 0.000 0.546 337 L N 0.757 121.978 121.223 -0.003 0.000 2.257 337 L HA 0.382 4.723 4.340 0.001 0.000 0.290 337 L C 1.409 178.339 176.870 0.100 0.000 1.044 337 L CA -0.519 54.347 54.840 0.043 0.000 0.810 337 L CB 1.370 43.436 42.059 0.013 0.000 1.193 337 L HN 0.095 nan 8.230 nan 0.000 0.425 338 R N 4.994 125.595 120.500 0.167 0.000 2.057 338 R HA 0.324 4.664 4.340 0.001 0.000 0.229 338 R C 0.055 176.527 176.300 0.286 0.000 1.136 338 R CA 1.860 58.099 56.100 0.232 0.000 0.952 338 R CB -0.094 30.410 30.300 0.339 0.000 0.848 338 R HN 0.728 nan 8.270 nan 0.000 0.430 339 I N -2.047 118.707 120.570 0.307 0.000 2.600 339 I HA 0.167 4.337 4.170 0.001 0.000 0.309 339 I C -1.925 174.361 176.117 0.281 0.000 1.966 339 I CA -0.844 60.626 61.300 0.283 0.000 0.925 339 I CB 1.466 39.650 38.000 0.307 0.000 1.481 339 I HN 0.134 nan 8.210 nan 0.000 0.652 340 M N 4.374 124.087 119.600 0.189 0.000 2.253 340 M HA 0.439 4.919 4.480 0.001 0.000 0.314 340 M C -0.798 175.414 176.300 -0.148 0.000 1.019 340 M CA -0.373 54.995 55.300 0.113 0.000 0.932 340 M CB 1.673 34.340 32.600 0.111 0.000 1.606 340 M HN 0.586 nan 8.290 nan 0.000 0.430 341 E N 2.539 122.562 120.200 -0.295 0.000 2.392 341 E HA 0.233 4.584 4.350 0.001 0.000 0.264 341 E C -1.269 175.081 176.600 -0.416 0.000 1.024 341 E CA 0.292 56.188 56.400 -0.840 0.000 0.903 341 E CB 0.989 30.442 29.700 -0.413 0.000 0.963 341 E HN 0.722 nan 8.360 nan 0.000 0.432 342 T N 3.071 117.349 114.554 -0.459 0.000 2.889 342 T HA 0.170 4.521 4.350 0.001 0.000 0.315 342 T C -1.827 172.733 174.700 -0.234 0.000 1.291 342 T CA -0.911 61.060 62.100 -0.214 0.000 1.028 342 T CB 1.150 69.965 68.868 -0.089 0.000 1.235 342 T HN 0.378 nan 8.240 nan 0.000 0.491 343 D N 3.357 123.683 120.400 -0.124 0.000 2.249 343 D HA 0.332 4.973 4.640 0.001 0.000 0.246 343 D C 0.997 177.108 176.300 -0.316 0.000 1.114 343 D CA -0.468 53.454 54.000 -0.130 0.000 0.854 343 D CB 1.317 42.161 40.800 0.074 0.000 1.132 343 D HN 0.324 nan 8.370 nan 0.000 0.461 344 I N 0.680 120.811 120.570 -0.731 0.000 3.228 344 I HA -0.045 4.125 4.170 0.001 0.000 0.279 344 I C 0.467 176.238 176.117 -0.576 0.000 1.221 344 I CA 0.499 61.178 61.300 -1.035 0.000 1.458 344 I CB -0.233 36.384 38.000 -2.304 0.000 1.105 344 I HN 0.157 nan 8.210 nan 0.000 0.445 345 D N 3.988 124.219 120.400 -0.282 0.000 2.358 345 D HA 0.147 4.787 4.640 0.001 0.000 0.258 345 D C 0.330 176.699 176.300 0.115 0.000 1.223 345 D CA 0.206 54.224 54.000 0.030 0.000 0.886 345 D CB 1.221 42.084 40.800 0.105 0.000 1.120 345 D HN -0.025 nan 8.370 nan 0.000 0.482 346 R N 1.746 122.400 120.500 0.257 0.000 2.803 346 R HA 0.466 4.807 4.340 0.001 0.000 0.276 346 R C 0.139 176.594 176.300 0.258 0.000 0.978 346 R CA -0.971 55.285 56.100 0.259 0.000 0.939 346 R CB 1.053 31.423 30.300 0.116 0.000 1.179 346 R HN 0.334 nan 8.270 nan 0.000 0.472 347 L N 1.355 122.581 121.223 0.005 0.000 2.483 347 L HA 0.038 4.378 4.340 0.001 0.000 0.276 347 L C 1.698 178.346 176.870 -0.369 0.000 1.213 347 L CA 0.083 54.628 54.840 -0.492 0.000 0.843 347 L CB 0.386 41.717 42.059 -1.213 0.000 1.107 347 L HN 0.784 nan 8.230 nan 0.000 0.487 348 A N 2.672 125.336 122.820 -0.261 0.000 2.019 348 A HA -0.165 4.155 4.320 0.001 0.000 0.219 348 A C 1.525 179.180 177.584 0.118 0.000 1.164 348 A CA 1.603 53.662 52.037 0.036 0.000 0.644 348 A CB -0.631 18.491 19.000 0.204 0.000 0.805 348 A HN 0.995 nan 8.150 nan 0.000 0.449 349 W N -0.931 120.345 121.300 -0.040 0.000 3.239 349 W HA 0.532 5.192 4.660 0.000 0.000 0.348 349 W C 0.921 177.378 176.519 -0.103 0.000 1.183 349 W CA 0.179 57.467 57.345 -0.096 0.000 1.819 349 W CB -0.058 29.235 29.460 -0.278 0.000 1.091 349 W HN 0.232 nan 8.180 nan 0.000 0.629 350 E N 1.727 121.766 120.200 -0.268 0.000 2.058 350 E HA -0.258 4.093 4.350 0.001 0.000 0.194 350 E C 1.379 178.029 176.600 0.084 0.000 0.997 350 E CA 2.414 58.716 56.400 -0.163 0.000 0.801 350 E CB -0.248 29.313 29.700 -0.231 0.000 0.746 350 E HN 0.148 nan 8.360 nan 0.000 0.450 351 D N 0.006 120.493 120.400 0.145 0.000 2.219 351 D HA -0.105 4.536 4.640 0.001 0.000 0.205 351 D C 1.552 177.952 176.300 0.167 0.000 0.970 351 D CA 0.690 54.835 54.000 0.241 0.000 0.851 351 D CB -0.165 40.757 40.800 0.203 0.000 0.943 351 D HN 0.379 nan 8.370 nan 0.000 0.488 352 E N -0.035 120.239 120.200 0.123 0.000 2.160 352 E HA -0.111 4.239 4.350 0.001 0.000 0.195 352 E C 1.922 178.514 176.600 -0.012 0.000 0.991 352 E CA 0.509 56.959 56.400 0.084 0.000 0.810 352 E CB 0.009 29.803 29.700 0.157 0.000 0.742 352 E HN 0.300 nan 8.360 nan 0.000 0.466 353 L N -0.341 120.825 121.223 -0.096 0.000 2.395 353 L HA 0.032 4.373 4.340 0.001 0.000 0.218 353 L C 0.060 176.447 176.870 -0.805 0.000 1.130 353 L CA 0.221 54.780 54.840 -0.469 0.000 0.826 353 L CB 0.158 41.824 42.059 -0.655 0.000 0.941 353 L HN -0.021 nan 8.230 nan 0.000 0.451 354 F N -1.968 117.946 119.950 -0.060 0.000 2.588 354 F HA 0.209 4.737 4.527 0.000 0.000 0.314 354 F C 1.415 177.156 175.800 -0.098 0.000 1.069 354 F CA -0.805 57.138 58.000 -0.095 0.000 0.931 354 F CB 1.333 40.345 39.000 0.020 0.000 1.260 354 F HN -0.230 nan 8.300 nan 0.000 0.465 355 T N -2.600 111.971 114.554 0.028 0.000 2.821 355 T HA -0.021 4.329 4.350 0.001 0.000 0.267 355 T C 0.359 174.824 174.700 -0.393 0.000 1.046 355 T CA 1.259 63.243 62.100 -0.193 0.000 1.139 355 T CB -0.353 68.376 68.868 -0.232 0.000 0.871 355 T HN 0.466 nan 8.240 nan 0.000 0.454 356 H N 0.339 119.459 119.070 0.083 0.000 2.768 356 H HA 0.733 5.289 4.556 0.000 0.000 0.371 356 H C -0.744 174.559 175.328 -0.042 0.000 1.151 356 H CA -0.895 55.165 56.048 0.020 0.000 1.165 356 H CB 1.981 31.737 29.762 -0.009 0.000 1.722 356 H HN 0.408 nan 8.280 nan 0.000 0.543 357 A N 3.283 126.102 122.820 -0.002 0.000 2.325 357 A HA 0.548 4.869 4.320 0.001 0.000 0.333 357 A C -2.383 174.997 177.584 -0.340 0.000 1.155 357 A CA -1.638 50.205 52.037 -0.324 0.000 0.814 357 A CB 0.400 19.288 19.000 -0.186 0.000 1.206 357 A HN 0.378 nan 8.150 nan 0.000 0.482 358 P HA 0.223 nan 4.420 nan 0.000 0.269 358 P C -0.766 176.247 177.300 -0.478 0.000 1.209 358 P CA 0.187 63.007 63.100 -0.467 0.000 0.776 358 P CB 0.491 31.881 31.700 -0.517 0.000 0.876 359 E N 1.487 121.392 120.200 -0.492 0.000 2.158 359 E HA 0.346 4.697 4.350 0.001 0.000 0.271 359 E C -0.926 175.374 176.600 -0.500 0.000 0.911 359 E CA -0.462 55.724 56.400 -0.356 0.000 0.767 359 E CB 0.907 30.500 29.700 -0.178 0.000 1.120 359 E HN 0.394 nan 8.360 nan 0.000 0.405 360 Y N 1.257 121.544 120.300 -0.021 0.000 2.409 360 Y HA 0.357 4.908 4.550 0.002 0.000 0.339 360 Y C 0.051 175.909 175.900 -0.069 0.000 1.033 360 Y CA -0.746 57.339 58.100 -0.026 0.000 1.094 360 Y CB 1.865 40.344 38.460 0.033 0.000 1.210 360 Y HN 0.387 nan 8.280 nan 0.000 0.456 361 Q N 2.413 122.245 119.800 0.053 0.000 2.268 361 Q HA 0.267 4.607 4.340 0.001 0.000 0.266 361 Q C -0.775 175.184 176.000 -0.069 0.000 1.006 361 Q CA -0.663 55.125 55.803 -0.025 0.000 0.824 361 Q CB 1.177 29.902 28.738 -0.022 0.000 1.306 361 Q HN 0.798 nan 8.270 nan 0.000 0.424 362 N N 2.715 121.337 118.700 -0.130 0.000 2.727 362 N HA -0.230 4.511 4.740 0.001 0.000 0.249 362 N C 0.316 175.724 175.510 -0.169 0.000 1.048 362 N CA 2.173 55.137 53.050 -0.143 0.000 0.714 362 N CB -1.238 37.203 38.487 -0.075 0.000 0.959 362 N HN 1.138 nan 8.380 nan 0.000 0.544 363 G N -1.352 107.255 108.800 -0.322 0.000 2.148 363 G HA2 -0.290 3.671 3.960 0.001 0.000 0.254 363 G HA3 -0.290 3.671 3.960 0.001 0.000 0.254 363 G C -0.293 174.600 174.900 -0.012 0.000 0.981 363 G CA 0.634 45.564 45.100 -0.283 0.000 0.670 363 G HN 0.657 nan 8.290 nan 0.000 0.528 364 E N -0.964 119.260 120.200 0.040 0.000 2.288 364 E HA 0.605 4.955 4.350 0.001 0.000 0.268 364 E C -0.716 175.999 176.600 0.191 0.000 0.885 364 E CA -1.190 55.277 56.400 0.113 0.000 0.767 364 E CB 2.288 32.014 29.700 0.045 0.000 1.220 364 E HN 0.164 nan 8.360 nan 0.000 0.427 365 L N 3.126 124.457 121.223 0.180 0.000 2.305 365 L HA 0.271 4.612 4.340 0.001 0.000 0.281 365 L C -0.868 175.968 176.870 -0.056 0.000 1.085 365 L CA -0.304 54.544 54.840 0.013 0.000 0.813 365 L CB 0.513 42.590 42.059 0.029 0.000 1.157 365 L HN 0.437 nan 8.230 nan 0.000 0.436 366 I N 6.195 126.686 120.570 -0.132 0.000 2.416 366 I HA 0.146 4.316 4.170 0.001 0.000 0.288 366 I C 0.146 176.217 176.117 -0.077 0.000 1.051 366 I CA -0.373 60.874 61.300 -0.088 0.000 1.375 366 I CB 0.898 38.841 38.000 -0.095 0.000 1.407 366 I HN 0.408 nan 8.210 nan 0.000 0.516 367 I N 8.808 129.358 120.570 -0.034 0.000 2.396 367 I HA 0.217 4.387 4.170 0.001 0.000 0.289 367 I C -1.584 174.565 176.117 0.054 0.000 1.056 367 I CA -2.211 59.099 61.300 0.017 0.000 1.365 367 I CB 0.009 38.008 38.000 -0.002 0.000 1.407 367 I HN 0.289 nan 8.210 nan 0.000 0.509 368 P HA 0.197 nan 4.420 nan 0.000 0.274 368 P C -0.431 176.944 177.300 0.125 0.000 1.256 368 P CA -0.140 62.982 63.100 0.036 0.000 0.795 368 P CB 0.904 32.589 31.700 -0.025 0.000 1.038 369 D N -1.385 119.044 120.400 0.048 0.000 2.804 369 D HA 0.141 4.781 4.640 0.001 0.000 0.308 369 D C 0.102 176.375 176.300 -0.045 0.000 1.371 369 D CA -0.396 53.632 54.000 0.046 0.000 0.823 369 D CB -0.034 40.820 40.800 0.090 0.000 1.126 369 D HN 0.162 nan 8.370 nan 0.000 0.467 370 R N 0.541 120.997 120.500 -0.073 0.000 2.532 370 R HA 0.517 4.857 4.340 0.001 0.000 0.272 370 R C -2.520 173.725 176.300 -0.092 0.000 1.032 370 R CA -1.838 54.213 56.100 -0.082 0.000 1.089 370 R CB 0.545 30.781 30.300 -0.107 0.000 1.098 370 R HN -0.017 nan 8.270 nan 0.000 0.526 371 P HA 0.039 nan 4.420 nan 0.000 0.268 371 P C 0.168 177.411 177.300 -0.094 0.000 1.204 371 P CA 0.805 63.846 63.100 -0.097 0.000 0.768 371 P CB 0.748 32.411 31.700 -0.062 0.000 0.842 372 G N 2.204 110.898 108.800 -0.177 0.000 2.527 372 G HA2 -0.250 3.710 3.960 0.001 0.000 0.227 372 G HA3 -0.250 3.710 3.960 0.001 0.000 0.227 372 G C 0.333 175.129 174.900 -0.174 0.000 1.291 372 G CA -0.142 44.809 45.100 -0.247 0.000 0.904 372 G HN 0.475 nan 8.290 nan 0.000 0.577 373 W N 0.376 121.704 121.300 0.047 0.000 2.402 373 W HA 0.306 4.967 4.660 0.003 0.000 0.286 373 W C 2.327 178.860 176.519 0.024 0.000 1.221 373 W CA 1.097 58.473 57.345 0.051 0.000 1.257 373 W CB 0.034 29.545 29.460 0.085 0.000 1.120 373 W HN 1.934 nan 8.180 nan 0.000 0.551 374 G N -1.171 107.764 108.800 0.225 0.000 2.229 374 G HA2 -0.160 3.800 3.960 0.001 0.000 0.189 374 G HA3 -0.160 3.800 3.960 0.001 0.000 0.189 374 G C -0.034 174.935 174.900 0.115 0.000 1.000 374 G CA -0.023 45.135 45.100 0.097 0.000 0.663 374 G HN 0.129 nan 8.290 nan 0.000 0.493 375 T N 0.247 114.921 114.554 0.199 0.000 2.885 375 T HA 0.540 4.890 4.350 0.001 0.000 0.322 375 T C -2.433 172.376 174.700 0.181 0.000 1.387 375 T CA -0.332 61.902 62.100 0.223 0.000 1.041 375 T CB 1.942 70.886 68.868 0.127 0.000 1.287 375 T HN 0.039 nan 8.240 nan 0.000 0.491 376 D N 3.439 123.897 120.400 0.097 0.000 2.498 376 D HA 0.458 5.099 4.640 0.001 0.000 0.247 376 D C -2.562 173.527 176.300 -0.352 0.000 1.070 376 D CA -1.402 52.488 54.000 -0.184 0.000 0.842 376 D CB 2.176 42.914 40.800 -0.102 0.000 1.361 376 D HN 0.247 nan 8.370 nan 0.000 0.484 377 P HA 0.027 nan 4.420 nan 0.000 0.267 377 P C -0.398 176.381 177.300 -0.868 0.000 1.200 377 P CA -0.288 62.144 63.100 -1.113 0.000 0.772 377 P CB 0.700 31.286 31.700 -1.857 0.000 0.855 378 V N 3.538 123.075 119.914 -0.627 0.000 2.328 378 V HA 0.104 4.225 4.120 0.001 0.000 0.278 378 V C 1.368 177.303 176.094 -0.264 0.000 1.021 378 V CA 0.021 62.119 62.300 -0.336 0.000 0.838 378 V CB 0.641 32.328 31.823 -0.227 0.000 0.999 378 V HN 0.565 nan 8.190 nan 0.000 0.447 379 E N 2.490 122.610 120.200 -0.135 0.000 2.085 379 E HA -0.255 4.096 4.350 0.001 0.000 0.194 379 E C 1.915 178.486 176.600 -0.049 0.000 0.994 379 E CA 1.650 58.021 56.400 -0.048 0.000 0.801 379 E CB 0.212 29.953 29.700 0.069 0.000 0.743 379 E HN 0.859 nan 8.360 nan 0.000 0.453 380 E N 0.368 120.540 120.200 -0.045 0.000 2.118 380 E HA -0.219 4.131 4.350 0.001 0.000 0.195 380 E C 1.966 178.533 176.600 -0.054 0.000 0.992 380 E CA 1.033 57.407 56.400 -0.043 0.000 0.804 380 E CB -0.045 29.633 29.700 -0.036 0.000 0.741 380 E HN 0.250 nan 8.360 nan 0.000 0.458 381 A N 0.807 123.588 122.820 -0.064 0.000 1.929 381 A HA -0.100 4.221 4.320 0.001 0.000 0.216 381 A C 2.122 179.716 177.584 0.016 0.000 1.176 381 A CA 0.895 52.919 52.037 -0.021 0.000 0.628 381 A CB -0.485 18.491 19.000 -0.039 0.000 0.816 381 A HN 0.312 nan 8.150 nan 0.000 0.444 382 I N -0.287 120.243 120.570 -0.067 0.000 2.208 382 I HA -0.281 3.890 4.170 0.001 0.000 0.245 382 I C 2.117 178.231 176.117 -0.005 0.000 1.097 382 I CA 1.302 62.583 61.300 -0.031 0.000 1.363 382 I CB -0.231 37.725 38.000 -0.073 0.000 1.051 382 I HN 0.281 nan 8.210 nan 0.000 0.413 383 L N 0.093 121.295 121.223 -0.034 0.000 2.395 383 L HA -0.019 4.321 4.340 0.001 0.000 0.218 383 L C 2.478 179.283 176.870 -0.108 0.000 1.130 383 L CA 0.475 55.285 54.840 -0.051 0.000 0.826 383 L CB -0.446 41.590 42.059 -0.039 0.000 0.941 383 L HN 0.186 nan 8.230 nan 0.000 0.451 384 A N -1.752 120.976 122.820 -0.154 0.000 2.167 384 A HA -0.049 4.272 4.320 0.001 0.000 0.214 384 A C 0.843 178.053 177.584 -0.625 0.000 1.151 384 A CA 0.606 52.443 52.037 -0.333 0.000 0.735 384 A CB -0.280 18.515 19.000 -0.341 0.000 0.802 384 A HN 0.377 nan 8.150 nan 0.000 0.467 385 H N 0.226 119.179 119.070 -0.196 0.000 2.386 385 H HA 0.219 4.775 4.556 0.001 0.000 0.232 385 H C -2.821 172.391 175.328 -0.192 0.000 1.416 385 H CA -2.006 53.878 56.048 -0.273 0.000 1.285 385 H CB 0.058 29.623 29.762 -0.327 0.000 1.625 385 H HN 0.326 nan 8.280 nan 0.000 0.521 386 P HA 0.025 nan 4.420 nan 0.000 0.266 386 P C -2.349 174.898 177.300 -0.088 0.000 1.195 386 P CA -0.818 62.231 63.100 -0.084 0.000 0.768 386 P CB 0.951 32.597 31.700 -0.090 0.000 0.838 387 P HA 0.000 nan 4.420 nan 0.000 0.216 387 P CA 0.000 63.037 63.100 -0.104 0.000 0.800 387 P CB 0.000 31.622 31.700 -0.130 0.000 0.726