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 2e7q_1_B DATA FIRST_RESID 1 DATA SEQUENCE KTISFNFNQF HQNEEQLKLQ RDARISSNSV LELTKVVNGV PTWNSTGRAL DATA SEQUENCE YAKPVQVWDS TTGNVASFET RFSFSIRQPF PRPHPADGLV FFIAPPNTQT DATA SEQUENCE GEGGGYFGIY NPLSPYPFVA VEFDTFRNTW DPQIPHIGID VNSVISTKTV DATA SEQUENCE PFTLDNGGIA NVVIKYDAST KILHVVLVFP SLGTIYTIAD IVDLKQVLPE DATA SEQUENCE SVNVGFSAAT GDPSGKQRNA TETHDILSWS FSASLPG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.631 176.600 0.052 0.000 0.988 1 K CA 0.000 56.314 56.287 0.045 0.000 0.838 1 K CB 0.000 32.525 32.500 0.041 0.000 1.064 2 T N 1.056 115.638 114.554 0.046 0.000 3.187 2 T HA 0.487 4.837 4.350 0.000 0.000 0.328 2 T C -0.898 173.827 174.700 0.042 0.000 0.951 2 T CA -0.217 61.908 62.100 0.041 0.000 1.049 2 T CB 0.044 68.924 68.868 0.019 0.000 1.015 2 T HN 0.619 nan 8.240 nan 0.000 0.461 3 I N 2.937 123.548 120.570 0.069 0.000 2.797 3 I HA 0.766 4.936 4.170 0.000 0.000 0.310 3 I C -0.293 175.843 176.117 0.032 0.000 0.990 3 I CA 0.059 61.411 61.300 0.086 0.000 1.228 3 I CB 1.136 39.230 38.000 0.157 0.000 1.406 3 I HN 0.765 nan 8.210 nan 0.000 0.534 4 S N 5.082 120.788 115.700 0.010 0.000 2.658 4 S HA 0.404 4.874 4.470 0.000 0.000 0.312 4 S C -1.046 173.469 174.600 -0.143 0.000 1.006 4 S CA -0.920 57.185 58.200 -0.157 0.000 0.855 4 S CB 0.449 63.550 63.200 -0.166 0.000 1.053 4 S HN 0.658 nan 8.310 nan 0.000 0.455 5 F N 0.673 120.477 119.950 -0.244 0.000 2.706 5 F HA 0.962 5.489 4.527 0.000 0.000 0.328 5 F C -0.696 174.840 175.800 -0.441 0.000 1.123 5 F CA -0.790 56.978 58.000 -0.387 0.000 0.978 5 F CB 1.167 39.817 39.000 -0.584 0.000 1.404 5 F HN 0.945 nan 8.300 nan 0.000 0.497 6 N N -0.238 118.297 118.700 -0.276 0.000 2.929 6 N HA 0.392 5.132 4.740 0.000 0.000 0.245 6 N C -2.542 172.717 175.510 -0.419 0.000 1.081 6 N CA -0.444 52.436 53.050 -0.283 0.000 1.048 6 N CB 0.921 39.292 38.487 -0.193 0.000 1.629 6 N HN 0.619 nan 8.380 nan 0.000 0.598 7 F N 2.360 122.312 119.950 0.004 0.000 2.402 7 F HA 0.432 4.959 4.527 0.000 0.000 0.355 7 F C 1.080 176.758 175.800 -0.202 0.000 1.123 7 F CA -0.752 57.160 58.000 -0.147 0.000 1.021 7 F CB 1.697 40.511 39.000 -0.310 0.000 1.160 7 F HN 0.566 nan 8.300 nan 0.000 0.451 8 N N 1.650 120.323 118.700 -0.045 0.000 2.463 8 N HA 0.011 4.751 4.740 0.000 0.000 0.181 8 N C -0.230 175.207 175.510 -0.122 0.000 1.078 8 N CA 0.127 53.147 53.050 -0.050 0.000 0.902 8 N CB 0.249 38.722 38.487 -0.024 0.000 0.970 8 N HN 0.745 nan 8.380 nan 0.000 0.451 9 Q N -1.282 118.351 119.800 -0.278 0.000 2.874 9 Q HA 0.286 4.626 4.340 0.000 0.000 0.303 9 Q C -1.819 173.779 176.000 -0.671 0.000 0.876 9 Q CA -0.878 54.698 55.803 -0.378 0.000 0.765 9 Q CB 0.616 29.273 28.738 -0.135 0.000 1.478 9 Q HN -0.135 nan 8.270 nan 0.000 0.434 10 F N 0.829 120.708 119.950 -0.119 0.000 2.508 10 F HA 0.550 5.077 4.527 0.000 0.000 0.325 10 F C -0.125 175.566 175.800 -0.182 0.000 1.090 10 F CA -0.532 57.357 58.000 -0.186 0.000 0.945 10 F CB 1.640 40.582 39.000 -0.097 0.000 1.156 10 F HN 0.427 nan 8.300 nan 0.000 0.463 11 H N 0.996 120.222 119.070 0.260 0.000 2.472 11 H HA 0.236 4.792 4.556 0.000 0.000 0.338 11 H C -0.512 174.896 175.328 0.133 0.000 1.133 11 H CA -0.887 55.258 56.048 0.162 0.000 1.216 11 H CB 1.505 31.348 29.762 0.134 0.000 1.497 11 H HN 0.566 nan 8.280 nan 0.000 0.500 12 Q N 1.004 120.937 119.800 0.222 0.000 2.286 12 Q HA 0.139 4.479 4.340 0.000 0.000 0.290 12 Q C 0.391 176.460 176.000 0.115 0.000 1.049 12 Q CA 1.134 57.014 55.803 0.128 0.000 0.923 12 Q CB -0.152 28.642 28.738 0.093 0.000 1.183 12 Q HN 0.979 nan 8.270 nan 0.000 0.383 13 N N 2.487 121.232 118.700 0.076 0.000 2.621 13 N HA -0.152 4.588 4.740 0.000 0.000 0.269 13 N C -0.870 174.696 175.510 0.092 0.000 1.154 13 N CA 0.735 53.821 53.050 0.059 0.000 0.696 13 N CB -1.281 37.235 38.487 0.048 0.000 0.878 13 N HN 0.591 nan 8.380 nan 0.000 0.550 14 E N 0.113 120.368 120.200 0.091 0.000 2.052 14 E HA 0.127 4.477 4.350 0.000 0.000 0.283 14 E C 1.227 177.877 176.600 0.085 0.000 1.071 14 E CA -0.320 56.160 56.400 0.134 0.000 0.851 14 E CB 0.854 30.634 29.700 0.133 0.000 1.066 14 E HN 0.770 nan 8.360 nan 0.000 0.396 15 E N 2.830 123.086 120.200 0.094 0.000 2.219 15 E HA -0.215 4.135 4.350 0.000 0.000 0.198 15 E C 0.715 177.322 176.600 0.012 0.000 0.998 15 E CA 0.938 57.364 56.400 0.044 0.000 0.818 15 E CB 0.412 30.141 29.700 0.048 0.000 0.741 15 E HN 0.379 nan 8.360 nan 0.000 0.477 16 Q N -0.406 119.439 119.800 0.076 0.000 2.444 16 Q HA 0.123 4.463 4.340 0.000 0.000 0.206 16 Q C 0.224 176.182 176.000 -0.071 0.000 0.948 16 Q CA 0.431 56.251 55.803 0.029 0.000 0.946 16 Q CB 0.488 29.428 28.738 0.337 0.000 1.027 16 Q HN 0.308 nan 8.270 nan 0.000 0.513 17 L N -0.112 121.080 121.223 -0.051 0.000 2.309 17 L HA 0.471 4.811 4.340 0.000 0.000 0.261 17 L C -0.290 176.532 176.870 -0.080 0.000 1.021 17 L CA -0.789 54.006 54.840 -0.076 0.000 0.823 17 L CB 2.039 44.048 42.059 -0.084 0.000 1.366 17 L HN -0.290 nan 8.230 nan 0.000 0.423 18 K N 2.184 122.541 120.400 -0.073 0.000 2.483 18 K HA 0.476 4.796 4.320 0.000 0.000 0.256 18 K C -1.501 175.067 176.600 -0.053 0.000 0.961 18 K CA -0.842 55.406 56.287 -0.064 0.000 0.873 18 K CB 1.872 34.332 32.500 -0.067 0.000 1.107 18 K HN 0.164 nan 8.250 nan 0.000 0.432 19 L N 2.851 124.041 121.223 -0.054 0.000 2.334 19 L HA 0.322 4.662 4.340 0.000 0.000 0.277 19 L C 0.067 176.914 176.870 -0.038 0.000 1.075 19 L CA 0.074 54.882 54.840 -0.055 0.000 0.804 19 L CB 1.139 43.161 42.059 -0.062 0.000 1.174 19 L HN 0.513 nan 8.230 nan 0.000 0.438 20 Q N 3.288 123.070 119.800 -0.030 0.000 2.397 20 Q HA 0.604 4.944 4.340 0.000 0.000 0.275 20 Q C -0.270 175.717 176.000 -0.023 0.000 1.090 20 Q CA -0.940 54.848 55.803 -0.024 0.000 0.809 20 Q CB 2.663 31.392 28.738 -0.015 0.000 1.362 20 Q HN 0.426 nan 8.270 nan 0.000 0.431 21 R N 0.730 121.216 120.500 -0.023 0.000 3.923 21 R HA -0.222 4.118 4.340 0.000 0.000 0.400 21 R C 0.325 176.613 176.300 -0.019 0.000 0.241 21 R CA 1.830 57.916 56.100 -0.023 0.000 1.284 21 R CB -1.545 28.740 30.300 -0.025 0.000 1.006 21 R HN 0.837 nan 8.270 nan 0.000 0.559 22 D N 1.627 122.018 120.400 -0.015 0.000 2.363 22 D HA 0.206 4.846 4.640 0.000 0.000 0.220 22 D C 0.368 176.661 176.300 -0.011 0.000 0.994 22 D CA 0.989 54.985 54.000 -0.007 0.000 0.890 22 D CB -0.187 40.616 40.800 0.004 0.000 0.906 22 D HN 0.577 nan 8.370 nan 0.000 0.530 23 A N 1.270 124.076 122.820 -0.024 0.000 2.524 23 A HA 0.297 4.617 4.320 0.000 0.000 0.250 23 A C 0.606 178.160 177.584 -0.050 0.000 1.078 23 A CA 0.226 52.237 52.037 -0.044 0.000 0.761 23 A CB 0.293 19.258 19.000 -0.058 0.000 1.012 23 A HN -0.046 nan 8.150 nan 0.000 0.500 24 R N 1.409 121.875 120.500 -0.057 0.000 2.799 24 R HA 0.545 4.885 4.340 0.000 0.000 0.270 24 R C -1.437 174.822 176.300 -0.067 0.000 1.010 24 R CA -0.713 55.358 56.100 -0.047 0.000 0.916 24 R CB 1.610 31.899 30.300 -0.017 0.000 1.228 24 R HN 0.658 nan 8.270 nan 0.000 0.469 25 I N 1.677 122.222 120.570 -0.043 0.000 2.354 25 I HA 0.127 4.297 4.170 0.000 0.000 0.286 25 I C 0.877 177.007 176.117 0.023 0.000 1.007 25 I CA -0.460 60.824 61.300 -0.025 0.000 1.167 25 I CB 1.768 39.768 38.000 0.000 0.000 1.320 25 I HN 0.647 nan 8.210 nan 0.000 0.458 26 S N 3.484 119.203 115.700 0.032 0.000 2.580 26 S HA 0.013 4.483 4.470 0.000 0.000 0.266 26 S C 1.380 176.018 174.600 0.064 0.000 1.354 26 S CA -0.077 58.150 58.200 0.045 0.000 1.008 26 S CB 1.136 64.363 63.200 0.046 0.000 0.898 26 S HN 0.757 nan 8.310 nan 0.000 0.555 27 S N 0.913 116.647 115.700 0.057 0.000 2.419 27 S HA -0.177 4.293 4.470 0.000 0.000 0.233 27 S C 1.204 175.849 174.600 0.074 0.000 1.016 27 S CA 0.863 59.100 58.200 0.063 0.000 0.974 27 S CB -0.896 62.334 63.200 0.049 0.000 0.786 27 S HN 0.942 nan 8.310 nan 0.000 0.492 28 N N 0.716 119.459 118.700 0.072 0.000 2.378 28 N HA 0.270 5.010 4.740 0.000 0.000 0.243 28 N C 0.669 176.236 175.510 0.094 0.000 1.137 28 N CA 0.754 53.849 53.050 0.076 0.000 0.862 28 N CB -0.185 38.338 38.487 0.060 0.000 1.116 28 N HN 0.606 nan 8.380 nan 0.000 0.499 29 S N -1.772 113.999 115.700 0.119 0.000 2.765 29 S HA -0.192 4.278 4.470 0.000 0.000 0.266 29 S C 0.215 174.939 174.600 0.207 0.000 1.302 29 S CA 0.948 59.239 58.200 0.151 0.000 1.274 29 S CB -2.528 nan 63.200 nan 0.000 1.559 29 S HN 1.047 nan 8.310 nan 0.000 0.658 30 V N -0.154 119.859 119.914 0.166 0.000 2.743 30 V HA 0.896 5.016 4.120 0.000 0.000 0.301 30 V C 0.336 176.487 176.094 0.095 0.000 1.057 30 V CA -0.740 61.674 62.300 0.190 0.000 1.006 30 V CB 1.679 33.571 31.823 0.115 0.000 1.024 30 V HN 1.199 nan 8.190 nan 0.000 0.473 31 L N 4.357 125.575 121.223 -0.008 0.000 2.261 31 L HA 0.500 4.840 4.340 0.000 0.000 0.289 31 L C 0.199 176.970 176.870 -0.164 0.000 1.059 31 L CA 0.299 54.960 54.840 -0.299 0.000 0.816 31 L CB 0.279 41.850 42.059 -0.813 0.000 1.191 31 L HN 0.846 nan 8.230 nan 0.000 0.431 32 E N 6.125 126.262 120.200 -0.104 0.000 2.014 32 E HA 0.135 4.485 4.350 0.000 0.000 0.275 32 E C 0.751 177.323 176.600 -0.046 0.000 0.997 32 E CA -0.227 56.146 56.400 -0.045 0.000 0.804 32 E CB 1.085 30.780 29.700 -0.008 0.000 1.090 32 E HN 0.720 nan 8.360 nan 0.000 0.401 33 L N 1.706 122.908 121.223 -0.036 0.000 2.046 33 L HA -0.099 4.241 4.340 0.000 0.000 0.208 33 L C 1.482 178.363 176.870 0.018 0.000 1.077 33 L CA 1.189 56.014 54.840 -0.025 0.000 0.747 33 L CB -0.473 41.572 42.059 -0.023 0.000 0.896 33 L HN 0.476 nan 8.230 nan 0.000 0.432 34 T N -2.707 111.897 114.554 0.083 0.000 2.918 34 T HA 0.298 4.648 4.350 0.000 0.000 0.286 34 T C -0.277 174.476 174.700 0.087 0.000 1.026 34 T CA -0.938 61.225 62.100 0.104 0.000 1.031 34 T CB 2.252 71.250 68.868 0.216 0.000 1.046 34 T HN -0.049 nan 8.240 nan 0.000 0.479 35 K N 0.682 121.127 120.400 0.076 0.000 2.485 35 K HA 0.347 4.667 4.320 0.000 0.000 0.277 35 K C -0.904 175.746 176.600 0.082 0.000 0.990 35 K CA -0.401 55.926 56.287 0.068 0.000 0.994 35 K CB 0.345 32.885 32.500 0.066 0.000 0.906 35 K HN 0.553 nan 8.250 nan 0.000 0.488 36 V N 5.847 125.800 119.914 0.065 0.000 2.577 36 V HA 0.347 4.467 4.120 0.000 0.000 0.294 36 V C -1.285 174.843 176.094 0.056 0.000 1.052 36 V CA -0.689 61.650 62.300 0.064 0.000 0.891 36 V CB 1.603 33.453 31.823 0.046 0.000 1.017 36 V HN 0.546 nan 8.190 nan 0.000 0.436 37 V N 3.480 123.433 119.914 0.064 0.000 2.370 37 V HA 0.635 4.755 4.120 0.000 0.000 0.283 37 V C 0.260 176.384 176.094 0.050 0.000 1.023 37 V CA 0.230 62.563 62.300 0.054 0.000 0.857 37 V CB 0.612 32.469 31.823 0.057 0.000 0.985 37 V HN 1.105 nan 8.190 nan 0.000 0.443 38 N N 3.915 122.639 118.700 0.040 0.000 2.738 38 N HA -0.163 4.577 4.740 0.000 0.000 0.249 38 N C 1.053 176.585 175.510 0.036 0.000 1.047 38 N CA 0.640 53.711 53.050 0.035 0.000 0.707 38 N CB -1.175 37.333 38.487 0.035 0.000 0.937 38 N HN 1.934 nan 8.380 nan 0.000 0.545 39 G N -1.960 106.860 108.800 0.033 0.000 2.168 39 G HA2 -0.310 3.650 3.960 0.000 0.000 0.263 39 G HA3 -0.310 3.650 3.960 0.000 0.000 0.263 39 G C 0.016 174.931 174.900 0.025 0.000 0.977 39 G CA 0.511 45.625 45.100 0.024 0.000 0.659 39 G HN 0.508 nan 8.290 nan 0.000 0.533 40 V N 1.842 121.786 119.914 0.050 0.000 2.531 40 V HA 0.552 4.672 4.120 0.000 0.000 0.301 40 V C -1.868 174.287 176.094 0.102 0.000 1.034 40 V CA -1.796 60.552 62.300 0.079 0.000 0.865 40 V CB 2.348 34.251 31.823 0.133 0.000 0.995 40 V HN 0.162 nan 8.190 nan 0.000 0.424 41 P HA 0.228 nan 4.420 nan 0.000 0.276 41 P C -0.222 177.201 177.300 0.204 0.000 1.230 41 P CA 0.173 63.349 63.100 0.127 0.000 0.776 41 P CB 1.086 32.834 31.700 0.080 0.000 0.888 42 T N 0.455 115.128 114.554 0.199 0.000 2.952 42 T HA 0.589 4.939 4.350 0.000 0.000 0.286 42 T C 0.258 175.171 174.700 0.354 0.000 1.024 42 T CA -0.719 61.538 62.100 0.260 0.000 1.029 42 T CB 0.909 69.929 68.868 0.253 0.000 1.094 42 T HN 0.506 nan 8.240 nan 0.000 0.515 43 W N 1.097 122.427 121.300 0.051 0.000 1.998 43 W HA 0.484 5.144 4.660 0.000 0.000 0.441 43 W C 0.395 176.922 176.519 0.014 0.000 1.859 43 W CA -1.304 56.060 57.345 0.032 0.000 2.071 43 W CB -1.509 27.956 29.460 0.009 0.000 1.474 43 W HN 0.854 nan 8.180 nan 0.000 0.734 44 N N -0.152 118.389 118.700 -0.266 0.000 2.721 44 N HA -0.241 4.499 4.740 0.000 0.000 0.249 44 N C -1.181 174.225 175.510 -0.173 0.000 1.072 44 N CA 1.228 54.018 53.050 -0.434 0.000 0.710 44 N CB -1.324 36.647 38.487 -0.861 0.000 0.993 44 N HN 0.675 nan 8.380 nan 0.000 0.547 45 S N -0.765 114.903 115.700 -0.053 0.000 2.513 45 S HA 0.839 5.310 4.470 0.000 0.000 0.299 45 S C -0.811 173.779 174.600 -0.015 0.000 1.087 45 S CA 0.159 58.354 58.200 -0.008 0.000 1.012 45 S CB 1.428 64.665 63.200 0.061 0.000 1.044 45 S HN 0.266 nan 8.310 nan 0.000 0.485 46 T N 2.298 116.839 114.554 -0.021 0.000 3.105 46 T HA 0.715 5.065 4.350 0.000 0.000 0.321 46 T C -0.429 174.258 174.700 -0.022 0.000 1.135 46 T CA -0.754 61.329 62.100 -0.028 0.000 1.053 46 T CB 1.491 70.335 68.868 -0.040 0.000 1.133 46 T HN 0.937 nan 8.240 nan 0.000 0.463 47 G N 1.863 110.650 108.800 -0.021 0.000 2.720 47 G HA2 0.759 4.719 3.960 0.000 0.000 0.295 47 G HA3 0.759 4.719 3.960 0.000 0.000 0.295 47 G C -1.739 173.157 174.900 -0.006 0.000 1.437 47 G CA -1.082 44.008 45.100 -0.016 0.000 0.886 47 G HN 0.752 nan 8.290 nan 0.000 0.509 48 R N -0.522 119.981 120.500 0.005 0.000 2.774 48 R HA 0.872 5.212 4.340 0.000 0.000 0.272 48 R C -0.874 175.439 176.300 0.021 0.000 1.000 48 R CA -1.021 55.109 56.100 0.050 0.000 0.906 48 R CB 2.264 32.626 30.300 0.104 0.000 1.227 48 R HN 0.950 nan 8.270 nan 0.000 0.468 49 A N 2.119 124.957 122.820 0.030 0.000 2.359 49 A HA 0.672 4.992 4.320 0.000 0.000 0.303 49 A C -1.313 176.259 177.584 -0.019 0.000 1.066 49 A CA -0.729 51.298 52.037 -0.016 0.000 0.730 49 A CB 1.127 20.088 19.000 -0.065 0.000 1.211 49 A HN 0.381 nan 8.150 nan 0.000 0.439 50 L N 1.362 122.578 121.223 -0.011 0.000 2.341 50 L HA 0.419 4.759 4.340 0.000 0.000 0.267 50 L C -0.505 176.408 176.870 0.072 0.000 1.009 50 L CA -0.636 54.188 54.840 -0.026 0.000 0.819 50 L CB 1.283 43.308 42.059 -0.057 0.000 1.323 50 L HN 0.805 nan 8.230 nan 0.000 0.425 51 Y N 1.133 121.423 120.300 -0.017 0.000 2.402 51 Y HA 0.283 4.833 4.550 0.000 0.000 0.333 51 Y C 1.290 177.112 175.900 -0.130 0.000 1.076 51 Y CA 0.162 58.188 58.100 -0.123 0.000 1.299 51 Y CB 1.416 39.672 38.460 -0.340 0.000 1.197 51 Y HN 0.789 nan 8.280 nan 0.000 0.517 52 A N 4.876 127.335 122.820 -0.602 0.000 1.903 52 A HA -0.142 4.178 4.320 0.000 0.000 0.219 52 A C 1.449 178.796 177.584 -0.395 0.000 1.191 52 A CA 2.166 53.937 52.037 -0.444 0.000 0.638 52 A CB -1.153 17.605 19.000 -0.402 0.000 0.823 52 A HN 0.769 nan 8.150 nan 0.000 0.451 53 K N 1.089 121.137 120.400 -0.586 0.000 2.110 53 K HA 0.591 4.911 4.320 0.000 0.000 0.263 53 K C -2.707 173.886 176.600 -0.011 0.000 0.975 53 K CA -1.931 54.225 56.287 -0.219 0.000 0.895 53 K CB 0.043 32.465 32.500 -0.130 0.000 1.060 53 K HN 0.408 nan 8.250 nan 0.000 0.448 54 P HA 0.385 nan 4.420 nan 0.000 0.277 54 P C -0.474 176.872 177.300 0.075 0.000 1.240 54 P CA -0.378 62.739 63.100 0.028 0.000 0.798 54 P CB 1.293 32.988 31.700 -0.009 0.000 0.979 55 V N 0.152 120.100 119.914 0.057 0.000 2.715 55 V HA 0.452 4.572 4.120 0.000 0.000 0.310 55 V C -0.472 175.662 176.094 0.067 0.000 1.054 55 V CA -0.956 61.394 62.300 0.084 0.000 0.928 55 V CB 1.719 33.592 31.823 0.083 0.000 1.007 55 V HN 0.535 nan 8.190 nan 0.000 0.437 56 Q N 2.379 122.229 119.800 0.084 0.000 2.390 56 Q HA 0.435 4.775 4.340 0.000 0.000 0.249 56 Q C 0.561 176.643 176.000 0.137 0.000 0.996 56 Q CA -0.256 55.585 55.803 0.065 0.000 0.899 56 Q CB 1.734 30.492 28.738 0.033 0.000 1.216 56 Q HN 1.057 nan 8.270 nan 0.000 0.465 57 V N 2.731 122.757 119.914 0.186 0.000 3.235 57 V HA 0.240 4.360 4.120 0.000 0.000 0.259 57 V C 0.151 176.518 176.094 0.455 0.000 1.133 57 V CA 0.061 62.550 62.300 0.315 0.000 1.128 57 V CB -0.731 31.286 31.823 0.324 0.000 0.757 57 V HN 0.689 nan 8.190 nan 0.000 0.469 58 W N -0.685 120.671 121.300 0.093 0.000 3.275 58 W HA 0.656 5.316 4.660 0.000 0.000 0.306 58 W C -2.464 174.095 176.519 0.066 0.000 1.259 58 W CA -1.422 55.975 57.345 0.086 0.000 1.194 58 W CB 1.196 30.708 29.460 0.086 0.000 1.375 58 W HN 0.055 nan 8.180 nan 0.000 0.564 59 D N 1.055 121.545 120.400 0.151 0.000 2.425 59 D HA 0.342 4.982 4.640 0.000 0.000 0.240 59 D C 1.197 177.517 176.300 0.034 0.000 1.080 59 D CA -0.155 53.824 54.000 -0.035 0.000 0.836 59 D CB 2.066 42.886 40.800 0.033 0.000 1.125 59 D HN 0.365 nan 8.370 nan 0.000 0.525 60 S N 1.600 117.192 115.700 -0.181 0.000 2.474 60 S HA -0.133 4.338 4.470 0.000 0.000 0.235 60 S C 1.620 176.256 174.600 0.060 0.000 0.997 60 S CA 0.849 59.041 58.200 -0.012 0.000 0.949 60 S CB -0.150 62.964 63.200 -0.145 0.000 0.766 60 S HN 0.473 nan 8.310 nan 0.000 0.517 61 T N 2.668 117.235 114.554 0.022 0.000 2.732 61 T HA -0.052 4.298 4.350 0.000 0.000 0.261 61 T C 2.190 176.927 174.700 0.062 0.000 1.040 61 T CA 1.988 64.108 62.100 0.034 0.000 1.145 61 T CB -0.695 68.182 68.868 0.014 0.000 0.866 61 T HN 0.854 nan 8.240 nan 0.000 0.427 62 T N -1.631 112.969 114.554 0.077 0.000 3.051 62 T HA 0.370 4.720 4.350 0.000 0.000 0.255 62 T C 1.901 176.673 174.700 0.120 0.000 1.085 62 T CA 0.991 63.143 62.100 0.087 0.000 1.109 62 T CB -0.068 68.849 68.868 0.081 0.000 0.921 62 T HN 0.514 nan 8.240 nan 0.000 0.488 63 G N 1.789 110.698 108.800 0.181 0.000 2.205 63 G HA2 -0.284 3.676 3.960 0.000 0.000 0.261 63 G HA3 -0.284 3.676 3.960 0.000 0.000 0.261 63 G C -0.021 175.014 174.900 0.225 0.000 0.980 63 G CA 0.034 45.270 45.100 0.227 0.000 0.632 63 G HN 0.688 nan 8.290 nan 0.000 0.533 64 N N -0.208 118.612 118.700 0.199 0.000 2.479 64 N HA 0.401 5.141 4.740 0.000 0.000 0.257 64 N C -0.153 175.513 175.510 0.261 0.000 1.232 64 N CA 0.115 53.275 53.050 0.183 0.000 0.920 64 N CB 1.348 39.920 38.487 0.143 0.000 1.105 64 N HN 0.119 nan 8.380 nan 0.000 0.444 65 V N 1.231 121.278 119.914 0.221 0.000 2.581 65 V HA 0.535 4.655 4.120 0.000 0.000 0.303 65 V C 0.209 176.466 176.094 0.272 0.000 1.041 65 V CA -0.872 61.594 62.300 0.276 0.000 0.907 65 V CB 1.530 33.483 31.823 0.217 0.000 0.994 65 V HN 0.777 nan 8.190 nan 0.000 0.442 66 A N 3.351 126.365 122.820 0.323 0.000 2.351 66 A HA 0.685 5.005 4.320 0.000 0.000 0.257 66 A C 0.335 178.154 177.584 0.392 0.000 1.087 66 A CA -0.118 52.105 52.037 0.310 0.000 0.798 66 A CB 0.403 19.592 19.000 0.315 0.000 1.033 66 A HN 0.770 nan 8.150 nan 0.000 0.488 67 S N -0.100 115.770 115.700 0.284 0.000 2.593 67 S HA 0.822 5.292 4.470 0.000 0.000 0.297 67 S C -0.771 173.980 174.600 0.252 0.000 1.112 67 S CA -0.279 58.052 58.200 0.219 0.000 1.043 67 S CB 0.932 64.156 63.200 0.040 0.000 1.054 67 S HN 0.902 nan 8.310 nan 0.000 0.516 68 F N -0.278 119.721 119.950 0.081 0.000 2.668 68 F HA 0.796 5.323 4.527 0.000 0.000 0.309 68 F C -1.013 174.686 175.800 -0.168 0.000 1.117 68 F CA -0.987 56.937 58.000 -0.127 0.000 0.951 68 F CB 1.323 40.222 39.000 -0.170 0.000 1.323 68 F HN 0.553 nan 8.300 nan 0.000 0.451 69 E N 0.989 121.149 120.200 -0.067 0.000 2.292 69 E HA 0.566 4.916 4.350 0.000 0.000 0.272 69 E C -1.920 174.609 176.600 -0.119 0.000 0.881 69 E CA -0.634 55.707 56.400 -0.099 0.000 0.754 69 E CB 2.369 31.982 29.700 -0.145 0.000 1.201 69 E HN 0.921 nan 8.360 nan 0.000 0.425 70 T N 3.426 118.005 114.554 0.043 0.000 2.916 70 T HA 0.541 4.891 4.350 0.000 0.000 0.298 70 T C -1.361 173.465 174.700 0.211 0.000 1.031 70 T CA -0.610 61.588 62.100 0.162 0.000 0.993 70 T CB 0.855 69.942 68.868 0.365 0.000 1.045 70 T HN 0.474 nan 8.240 nan 0.000 0.454 71 R N 2.941 123.623 120.500 0.304 0.000 2.686 71 R HA 0.781 5.121 4.340 0.000 0.000 0.286 71 R C -1.276 175.335 176.300 0.519 0.000 0.969 71 R CA -0.771 55.471 56.100 0.237 0.000 0.898 71 R CB 1.769 32.118 30.300 0.081 0.000 1.183 71 R HN 0.637 nan 8.270 nan 0.000 0.456 72 F N -2.007 118.066 119.950 0.204 0.000 2.686 72 F HA 0.649 5.176 4.527 0.000 0.000 0.311 72 F C -1.211 174.614 175.800 0.042 0.000 1.128 72 F CA -1.000 57.137 58.000 0.229 0.000 0.946 72 F CB 1.733 40.931 39.000 0.329 0.000 1.336 72 F HN 0.203 nan 8.300 nan 0.000 0.457 73 S N 1.527 117.348 115.700 0.202 0.000 2.532 73 S HA 0.811 5.281 4.470 0.000 0.000 0.299 73 S C -1.276 173.403 174.600 0.132 0.000 1.105 73 S CA -0.587 57.593 58.200 -0.033 0.000 1.018 73 S CB 1.395 64.579 63.200 -0.027 0.000 1.021 73 S HN 0.732 nan 8.310 nan 0.000 0.483 74 F N -0.233 119.690 119.950 -0.044 0.000 2.675 74 F HA 0.923 5.450 4.527 0.000 0.000 0.324 74 F C -0.406 175.379 175.800 -0.024 0.000 1.106 74 F CA -1.247 56.738 58.000 -0.025 0.000 0.970 74 F CB 1.282 40.266 39.000 -0.027 0.000 1.385 74 F HN 0.444 nan 8.300 nan 0.000 0.489 75 S N 0.928 116.907 115.700 0.465 0.000 2.572 75 S HA 0.736 5.206 4.470 0.000 0.000 0.274 75 S C -1.622 173.130 174.600 0.255 0.000 1.150 75 S CA -0.532 57.864 58.200 0.327 0.000 0.944 75 S CB 0.842 64.134 63.200 0.154 0.000 1.071 75 S HN 0.688 nan 8.310 nan 0.000 0.479 76 I N 4.276 124.995 120.570 0.249 0.000 2.410 76 I HA 0.475 4.646 4.170 0.000 0.000 0.286 76 I C 0.003 176.145 176.117 0.042 0.000 1.009 76 I CA -0.554 60.794 61.300 0.080 0.000 1.111 76 I CB 1.599 39.676 38.000 0.128 0.000 1.262 76 I HN 0.501 nan 8.210 nan 0.000 0.443 77 R N 6.001 126.479 120.500 -0.037 0.000 2.338 77 R HA 0.416 4.756 4.340 0.000 0.000 0.317 77 R C -0.867 175.373 176.300 -0.099 0.000 0.968 77 R CA -0.472 55.597 56.100 -0.052 0.000 0.849 77 R CB 1.040 31.306 30.300 -0.058 0.000 1.128 77 R HN 0.558 nan 8.270 nan 0.000 0.448 78 Q N 5.493 125.239 119.800 -0.091 0.000 2.506 78 Q HA 0.216 4.556 4.340 0.000 0.000 0.242 78 Q C -1.921 173.955 176.000 -0.207 0.000 1.060 78 Q CA -1.891 53.846 55.803 -0.110 0.000 0.826 78 Q CB 1.999 30.720 28.738 -0.029 0.000 1.169 78 Q HN 0.529 nan 8.270 nan 0.000 0.521 79 P HA -0.097 nan 4.420 nan 0.000 0.219 79 P C -0.497 176.385 177.300 -0.697 0.000 1.150 79 P CA 1.011 63.679 63.100 -0.720 0.000 0.814 79 P CB 0.329 31.277 31.700 -1.254 0.000 0.787 80 F N -0.172 119.781 119.950 0.005 0.000 2.307 80 F HA 0.340 4.867 4.527 0.000 0.000 0.369 80 F C -1.340 174.467 175.800 0.011 0.000 1.076 80 F CA -2.941 55.059 58.000 -0.001 0.000 1.149 80 F CB 0.312 39.306 39.000 -0.010 0.000 1.410 80 F HN -0.089 nan 8.300 nan 0.000 0.481 81 P HA -0.168 nan 4.420 nan 0.000 0.216 81 P C 0.656 178.004 177.300 0.081 0.000 1.153 81 P CA 1.276 64.421 63.100 0.076 0.000 0.858 81 P CB 0.116 31.840 31.700 0.040 0.000 0.789 82 R N 0.925 121.466 120.500 0.070 0.000 2.604 82 R HA 0.421 4.761 4.340 0.000 0.000 0.287 82 R C -1.929 174.362 176.300 -0.014 0.000 0.970 82 R CA -1.658 54.448 56.100 0.010 0.000 0.946 82 R CB -0.783 29.508 30.300 -0.014 0.000 1.127 82 R HN 0.145 nan 8.270 nan 0.000 0.473 83 P HA 0.017 nan 4.420 nan 0.000 0.234 83 P C -0.645 176.538 177.300 -0.195 0.000 1.175 83 P CA 0.926 63.861 63.100 -0.275 0.000 0.801 83 P CB 0.085 31.463 31.700 -0.538 0.000 0.891 84 H N -3.180 115.968 119.070 0.131 0.000 3.351 84 H HA 0.332 4.888 4.556 0.000 0.000 0.334 84 H C -3.327 172.137 175.328 0.227 0.000 1.557 84 H CA -1.928 54.229 56.048 0.181 0.000 1.622 84 H CB -0.168 29.742 29.762 0.245 0.000 2.460 84 H HN -0.185 nan 8.280 nan 0.000 0.344 85 P HA 0.408 nan 4.420 nan 0.000 0.271 85 P C -0.619 176.842 177.300 0.269 0.000 1.233 85 P CA 0.079 63.335 63.100 0.261 0.000 0.789 85 P CB 0.858 32.663 31.700 0.175 0.000 0.951 86 A N 0.626 123.564 122.820 0.196 0.000 2.599 86 A HA 0.370 4.690 4.320 0.000 0.000 0.294 86 A C -0.318 177.384 177.584 0.196 0.000 1.055 86 A CA -0.392 51.721 52.037 0.127 0.000 0.683 86 A CB 0.714 19.581 19.000 -0.223 0.000 1.278 86 A HN 0.471 nan 8.150 nan 0.000 0.412 87 D N -0.256 120.272 120.400 0.213 0.000 2.469 87 D HA 0.414 5.054 4.640 0.000 0.000 0.240 87 D C 0.791 177.312 176.300 0.369 0.000 1.087 87 D CA 1.571 55.679 54.000 0.181 0.000 0.876 87 D CB 1.389 42.192 40.800 0.005 0.000 1.160 87 D HN 1.442 nan 8.370 nan 0.000 0.497 88 G N 0.783 109.814 108.800 0.386 0.000 2.353 88 G HA2 0.237 4.197 3.960 0.000 0.000 0.424 88 G HA3 0.237 4.197 3.960 0.000 0.000 0.424 88 G C -1.803 173.096 174.900 -0.000 0.000 1.320 88 G CA -0.513 44.795 45.100 0.346 0.000 0.995 88 G HN 0.150 nan 8.290 nan 0.000 0.580 89 L N -1.855 119.359 121.223 -0.016 0.000 2.327 89 L HA 1.018 5.358 4.340 0.000 0.000 0.258 89 L C 0.193 177.015 176.870 -0.080 0.000 1.024 89 L CA -1.232 53.541 54.840 -0.111 0.000 0.825 89 L CB 1.720 43.728 42.059 -0.084 0.000 1.386 89 L HN 1.978 nan 8.230 nan 0.000 0.417 90 V N -1.537 118.361 119.914 -0.027 0.000 3.114 90 V HA 0.713 4.833 4.120 0.000 0.000 0.308 90 V C -1.271 174.971 176.094 0.246 0.000 1.168 90 V CA -0.618 61.717 62.300 0.057 0.000 1.015 90 V CB 1.870 33.560 31.823 -0.221 0.000 1.050 90 V HN 0.995 nan 8.190 nan 0.000 0.433 91 F N 4.732 124.769 119.950 0.145 0.000 2.443 91 F HA 0.929 5.456 4.527 0.000 0.000 0.335 91 F C -0.913 174.907 175.800 0.033 0.000 1.104 91 F CA -1.455 56.471 58.000 -0.123 0.000 1.013 91 F CB 1.599 40.575 39.000 -0.039 0.000 1.136 91 F HN 0.785 nan 8.300 nan 0.000 0.470 92 F N 4.990 124.232 119.950 -1.181 0.000 2.643 92 F HA 0.810 5.337 4.527 0.000 0.000 0.314 92 F C -2.040 173.305 175.800 -0.758 0.000 1.096 92 F CA -1.760 55.804 58.000 -0.727 0.000 0.953 92 F CB 1.183 39.963 39.000 -0.368 0.000 1.345 92 F HN 0.302 nan 8.300 nan 0.000 0.468 93 I N 2.165 122.610 120.570 -0.209 0.000 2.465 93 I HA 0.826 4.997 4.170 0.000 0.000 0.291 93 I C -0.459 175.781 176.117 0.205 0.000 1.014 93 I CA -0.920 60.285 61.300 -0.159 0.000 1.093 93 I CB 1.595 39.569 38.000 -0.043 0.000 1.267 93 I HN 1.045 nan 8.210 nan 0.000 0.431 94 A N 6.871 129.791 122.820 0.167 0.000 2.588 94 A HA 0.868 5.188 4.320 0.000 0.000 0.290 94 A C -2.989 174.663 177.584 0.114 0.000 1.136 94 A CA -1.562 50.646 52.037 0.285 0.000 0.681 94 A CB 1.609 20.890 19.000 0.469 0.000 1.282 94 A HN 0.370 nan 8.150 nan 0.000 0.421 95 P HA 0.258 nan 4.420 nan 0.000 0.269 95 P C -2.477 174.786 177.300 -0.061 0.000 1.215 95 P CA -0.674 62.431 63.100 0.008 0.000 0.780 95 P CB 0.018 31.719 31.700 0.003 0.000 0.898 96 P HA 0.011 nan 4.420 nan 0.000 0.274 96 P C -0.419 176.821 177.300 -0.101 0.000 1.237 96 P CA 0.058 63.115 63.100 -0.072 0.000 0.793 96 P CB 0.214 31.881 31.700 -0.055 0.000 0.977 97 N N -2.672 115.968 118.700 -0.101 0.000 2.782 97 N HA -0.135 4.606 4.740 0.000 0.000 0.251 97 N C 0.124 175.541 175.510 -0.156 0.000 1.101 97 N CA 0.630 53.616 53.050 -0.107 0.000 0.764 97 N CB -1.733 36.703 38.487 -0.085 0.000 1.122 97 N HN 0.672 nan 8.380 nan 0.000 0.561 98 T N -1.302 113.109 114.554 -0.238 0.000 2.788 98 T HA 0.343 4.694 4.350 0.000 0.000 0.287 98 T C 0.222 174.791 174.700 -0.217 0.000 1.007 98 T CA -0.510 61.350 62.100 -0.402 0.000 1.005 98 T CB 1.548 69.848 68.868 -0.946 0.000 1.012 98 T HN 0.303 nan 8.240 nan 0.000 0.530 99 Q N -0.456 119.249 119.800 -0.159 0.000 2.387 99 Q HA 0.512 4.852 4.340 0.000 0.000 0.273 99 Q C -0.926 175.075 176.000 0.001 0.000 1.089 99 Q CA -1.042 54.727 55.803 -0.056 0.000 0.824 99 Q CB 1.096 29.811 28.738 -0.038 0.000 1.367 99 Q HN 0.577 nan 8.270 nan 0.000 0.443 100 T N 2.006 116.552 114.554 -0.014 0.000 2.923 100 T HA 0.170 4.520 4.350 0.000 0.000 0.304 100 T C 0.519 175.208 174.700 -0.018 0.000 1.044 100 T CA 0.674 62.762 62.100 -0.020 0.000 1.141 100 T CB 0.303 69.152 68.868 -0.032 0.000 1.023 100 T HN 0.699 nan 8.240 nan 0.000 0.533 101 G N 1.745 110.519 108.800 -0.044 0.000 2.574 101 G HA2 0.458 4.418 3.960 0.000 0.000 0.248 101 G HA3 0.458 4.418 3.960 0.000 0.000 0.248 101 G C -0.142 174.705 174.900 -0.088 0.000 1.422 101 G CA -0.575 44.466 45.100 -0.099 0.000 1.051 101 G HN 0.674 nan 8.290 nan 0.000 0.560 102 E N -1.060 119.074 120.200 -0.109 0.000 2.418 102 E HA 0.417 4.767 4.350 0.000 0.000 0.261 102 E C 0.977 177.615 176.600 0.063 0.000 1.070 102 E CA 0.780 57.174 56.400 -0.010 0.000 0.931 102 E CB 0.631 30.347 29.700 0.027 0.000 0.954 102 E HN 0.504 nan 8.360 nan 0.000 0.439 103 G N 1.707 110.528 108.800 0.036 0.000 2.783 103 G HA2 0.477 4.437 3.960 0.000 0.000 0.182 103 G HA3 0.477 4.437 3.960 0.000 0.000 0.182 103 G C 0.644 175.514 174.900 -0.050 0.000 1.516 103 G CA -0.065 45.026 45.100 -0.015 0.000 1.079 103 G HN 0.939 nan 8.290 nan 0.000 0.573 104 G N -0.613 108.109 108.800 -0.130 0.000 2.634 104 G HA2 -0.005 3.955 3.960 0.000 0.000 0.309 104 G HA3 -0.005 3.955 3.960 0.000 0.000 0.309 104 G C 1.438 176.123 174.900 -0.359 0.000 1.265 104 G CA 1.039 46.001 45.100 -0.230 0.000 0.998 104 G HN 1.776 nan 8.290 nan 0.000 0.551 105 G N -1.334 107.196 108.800 -0.450 0.000 2.708 105 G HA2 0.209 4.169 3.960 0.000 0.000 0.210 105 G HA3 0.209 4.169 3.960 0.000 0.000 0.210 105 G C 1.032 175.388 174.900 -0.906 0.000 1.141 105 G CA 1.501 46.262 45.100 -0.566 0.000 0.788 105 G HN 0.561 nan 8.290 nan 0.000 0.531 106 Y N -1.216 118.814 120.300 -0.449 0.000 2.458 106 Y HA 0.308 4.858 4.550 0.000 0.000 0.256 106 Y C 1.076 176.798 175.900 -0.297 0.000 1.159 106 Y CA -1.964 55.927 58.100 -0.349 0.000 1.261 106 Y CB -0.187 38.231 38.460 -0.070 0.000 1.119 106 Y HN 0.177 nan 8.280 nan 0.000 0.524 107 F N -0.844 119.134 119.950 0.048 0.000 2.993 107 F HA -0.319 4.208 4.527 0.000 0.000 0.323 107 F C 1.726 177.459 175.800 -0.111 0.000 0.708 107 F CA 1.057 59.023 58.000 -0.057 0.000 1.007 107 F CB -1.829 37.126 39.000 -0.075 0.000 1.432 107 F HN 0.162 nan 8.300 nan 0.000 0.336 108 G N 0.274 109.096 108.800 0.037 0.000 2.141 108 G HA2 -0.306 3.654 3.960 0.000 0.000 0.242 108 G HA3 -0.306 3.654 3.960 0.000 0.000 0.242 108 G C 0.695 175.496 174.900 -0.165 0.000 0.982 108 G CA 0.461 45.531 45.100 -0.050 0.000 0.662 108 G HN 1.133 nan 8.290 nan 0.000 0.527 109 I N -3.776 116.646 120.570 -0.245 0.000 4.181 109 I HA 0.585 4.755 4.170 0.000 0.000 0.331 109 I C 0.559 176.366 176.117 -0.516 0.000 1.312 109 I CA -0.630 60.347 61.300 -0.538 0.000 1.146 109 I CB 0.466 37.836 38.000 -1.050 0.000 1.074 109 I HN 0.053 nan 8.210 nan 0.000 0.402 110 Y N 2.839 122.890 120.300 -0.414 0.000 2.331 110 Y HA 0.558 5.109 4.550 0.000 0.000 0.338 110 Y C -0.843 174.800 175.900 -0.428 0.000 0.992 110 Y CA -1.469 56.394 58.100 -0.396 0.000 1.121 110 Y CB 1.084 39.363 38.460 -0.302 0.000 1.184 110 Y HN 0.104 nan 8.280 nan 0.000 0.469 111 N N 8.011 126.068 118.700 -1.071 0.000 2.626 111 N HA 0.399 5.139 4.740 0.000 0.000 0.249 111 N C -2.372 172.527 175.510 -1.018 0.000 1.021 111 N CA -2.439 50.125 53.050 -0.810 0.000 0.886 111 N CB 1.710 39.949 38.487 -0.415 0.000 1.149 111 N HN 0.284 nan 8.380 nan 0.000 0.517 112 P HA -0.214 nan 4.420 nan 0.000 0.216 112 P C 1.767 178.849 177.300 -0.362 0.000 1.154 112 P CA 1.660 64.372 63.100 -0.646 0.000 0.865 112 P CB 0.119 31.603 31.700 -0.360 0.000 0.789 113 L N -1.218 119.831 121.223 -0.289 0.000 1.932 113 L HA -0.065 4.275 4.340 0.000 0.000 0.217 113 L C 1.542 178.318 176.870 -0.157 0.000 1.077 113 L CA 2.570 57.305 54.840 -0.175 0.000 0.765 113 L CB -1.892 40.085 42.059 -0.137 0.000 0.888 113 L HN 0.039 nan 8.230 nan 0.000 0.433 114 S N 1.067 116.670 115.700 -0.161 0.000 2.426 114 S HA 0.545 5.016 4.470 0.000 0.000 0.236 114 S C -2.702 171.823 174.600 -0.124 0.000 1.368 114 S CA -1.027 57.115 58.200 -0.097 0.000 1.154 114 S CB 0.626 63.807 63.200 -0.032 0.000 1.037 114 S HN 0.538 nan 8.310 nan 0.000 0.481 115 P HA 0.254 nan 4.420 nan 0.000 0.276 115 P C -0.942 176.334 177.300 -0.040 0.000 1.243 115 P CA -0.279 62.683 63.100 -0.229 0.000 0.768 115 P CB 0.031 31.645 31.700 -0.144 0.000 0.856 116 Y N 3.044 123.366 120.300 0.036 0.000 2.468 116 Y HA 0.744 5.294 4.550 0.000 0.000 0.342 116 Y C -2.530 173.454 175.900 0.141 0.000 1.021 116 Y CA -3.779 54.363 58.100 0.070 0.000 1.079 116 Y CB 0.027 38.522 38.460 0.059 0.000 1.226 116 Y HN 0.252 nan 8.280 nan 0.000 0.460 117 P HA 0.284 nan 4.420 nan 0.000 0.272 117 P C -1.087 176.418 177.300 0.341 0.000 1.240 117 P CA 0.229 63.407 63.100 0.130 0.000 0.791 117 P CB 0.825 32.577 31.700 0.087 0.000 0.978 118 F N -2.213 117.824 119.950 0.146 0.000 2.725 118 F HA 0.494 5.021 4.527 0.000 0.000 0.311 118 F C -2.234 173.636 175.800 0.117 0.000 1.121 118 F CA -1.328 56.774 58.000 0.171 0.000 0.978 118 F CB 0.306 39.420 39.000 0.190 0.000 1.274 118 F HN 0.055 nan 8.300 nan 0.000 0.440 119 V N 2.463 122.627 119.914 0.417 0.000 2.495 119 V HA 0.960 5.080 4.120 0.000 0.000 0.298 119 V C -0.294 176.047 176.094 0.412 0.000 1.031 119 V CA -0.094 62.391 62.300 0.308 0.000 0.871 119 V CB 1.164 33.106 31.823 0.197 0.000 0.988 119 V HN 1.359 nan 8.190 nan 0.000 0.432 120 A N 4.213 127.281 122.820 0.414 0.000 2.539 120 A HA 0.887 5.207 4.320 0.000 0.000 0.296 120 A C -1.463 176.276 177.584 0.257 0.000 1.073 120 A CA -0.557 51.669 52.037 0.315 0.000 0.700 120 A CB 2.197 21.341 19.000 0.241 0.000 1.296 120 A HN 0.587 nan 8.150 nan 0.000 0.405 121 V N 2.418 122.487 119.914 0.260 0.000 2.357 121 V HA 0.413 4.533 4.120 0.000 0.000 0.284 121 V C -0.044 176.012 176.094 -0.063 0.000 1.018 121 V CA -0.302 62.081 62.300 0.138 0.000 0.841 121 V CB 1.184 33.167 31.823 0.266 0.000 0.991 121 V HN 1.022 nan 8.190 nan 0.000 0.437 122 E N 4.265 124.323 120.200 -0.236 0.000 2.227 122 E HA 0.658 5.008 4.350 0.000 0.000 0.268 122 E C -1.551 174.695 176.600 -0.589 0.000 0.990 122 E CA -0.714 55.457 56.400 -0.380 0.000 0.856 122 E CB 1.740 31.230 29.700 -0.350 0.000 1.159 122 E HN 0.399 nan 8.360 nan 0.000 0.401 123 F N 1.269 121.211 119.950 -0.014 0.000 2.564 123 F HA 0.234 4.761 4.527 0.000 0.000 0.368 123 F C -0.413 175.451 175.800 0.107 0.000 1.127 123 F CA -0.927 57.171 58.000 0.165 0.000 1.170 123 F CB 1.220 40.284 39.000 0.106 0.000 1.397 123 F HN 0.422 nan 8.300 nan 0.000 0.493 124 D N 1.413 121.879 120.400 0.110 0.000 2.277 124 D HA 0.201 4.841 4.640 0.000 0.000 0.249 124 D C 0.928 177.197 176.300 -0.051 0.000 1.134 124 D CA 0.241 54.256 54.000 0.025 0.000 0.863 124 D CB 1.506 42.161 40.800 -0.243 0.000 1.143 124 D HN 0.559 nan 8.370 nan 0.000 0.458 125 T N 0.577 115.206 114.554 0.126 0.000 3.084 125 T HA 0.235 4.585 4.350 0.000 0.000 0.270 125 T C 0.125 174.911 174.700 0.143 0.000 1.008 125 T CA -0.544 61.610 62.100 0.090 0.000 0.900 125 T CB -0.229 68.743 68.868 0.172 0.000 1.084 125 T HN 0.221 nan 8.240 nan 0.000 0.538 126 F N 1.623 121.559 119.950 -0.025 0.000 2.556 126 F HA 0.636 5.163 4.527 0.000 0.000 0.314 126 F C -0.475 175.257 175.800 -0.113 0.000 1.106 126 F CA -1.504 56.449 58.000 -0.078 0.000 0.911 126 F CB 1.837 40.770 39.000 -0.110 0.000 1.190 126 F HN -0.126 nan 8.300 nan 0.000 0.448 127 R N 4.901 124.845 120.500 -0.927 0.000 2.220 127 R HA 0.324 4.664 4.340 0.000 0.000 0.340 127 R C -0.838 174.953 176.300 -0.848 0.000 1.076 127 R CA -0.154 55.540 56.100 -0.677 0.000 0.920 127 R CB -0.055 29.956 30.300 -0.481 0.000 1.062 127 R HN 0.812 nan 8.270 nan 0.000 0.469 128 N N 0.085 118.408 118.700 -0.629 0.000 2.413 128 N HA 0.035 4.775 4.740 0.000 0.000 0.266 128 N C 1.200 176.212 175.510 -0.832 0.000 1.238 128 N CA 0.033 52.566 53.050 -0.862 0.000 0.972 128 N CB 1.002 38.473 38.487 -1.693 0.000 1.210 128 N HN 0.567 nan 8.380 nan 0.000 0.547 129 T N -2.527 111.575 114.554 -0.753 0.000 2.803 129 T HA -0.178 4.173 4.350 0.000 0.000 0.269 129 T C 1.261 175.844 174.700 -0.195 0.000 1.052 129 T CA 1.308 63.202 62.100 -0.344 0.000 1.136 129 T CB -0.466 68.323 68.868 -0.132 0.000 0.864 129 T HN 0.794 nan 8.240 nan 0.000 0.467 130 W N 1.093 122.385 121.300 -0.013 0.000 3.290 130 W HA 0.520 5.181 4.660 0.000 0.000 0.287 130 W C -0.580 175.937 176.519 -0.004 0.000 1.288 130 W CA -1.111 56.230 57.345 -0.006 0.000 1.725 130 W CB -0.205 29.256 29.460 0.002 0.000 1.103 130 W HN -0.083 nan 8.180 nan 0.000 0.670 131 D N 2.395 122.700 120.400 -0.158 0.000 2.277 131 D HA 0.296 4.936 4.640 0.000 0.000 0.250 131 D C -1.921 174.341 176.300 -0.062 0.000 1.032 131 D CA -1.707 52.285 54.000 -0.014 0.000 0.947 131 D CB 1.481 42.293 40.800 0.020 0.000 1.159 131 D HN -0.135 nan 8.370 nan 0.000 0.460 132 P HA 0.163 nan 4.420 nan 0.000 0.301 132 P C -0.510 176.766 177.300 -0.041 0.000 1.309 132 P CA -0.611 62.425 63.100 -0.107 0.000 0.782 132 P CB 0.772 32.369 31.700 -0.172 0.000 1.282 133 Q N 0.302 120.089 119.800 -0.021 0.000 2.450 133 Q HA 0.153 4.493 4.340 0.000 0.000 0.294 133 Q C -0.446 175.637 176.000 0.137 0.000 1.129 133 Q CA 0.257 56.066 55.803 0.010 0.000 0.970 133 Q CB -0.321 28.411 28.738 -0.009 0.000 1.294 133 Q HN 0.346 nan 8.270 nan 0.000 0.453 134 I N -2.990 117.607 120.570 0.046 0.000 3.002 134 I HA 0.653 4.823 4.170 0.000 0.000 0.310 134 I C -2.727 173.295 176.117 -0.158 0.000 1.087 134 I CA -3.190 58.097 61.300 -0.022 0.000 1.017 134 I CB 1.124 39.061 38.000 -0.105 0.000 1.226 134 I HN 0.530 nan 8.210 nan 0.000 0.443 135 P HA 0.385 nan 4.420 nan 0.000 0.274 135 P C -1.351 175.598 177.300 -0.585 0.000 1.237 135 P CA 0.018 62.764 63.100 -0.590 0.000 0.793 135 P CB 0.365 31.459 31.700 -1.010 0.000 0.977 136 H N -1.095 117.851 119.070 -0.207 0.000 3.046 136 H HA 0.483 5.039 4.556 0.000 0.000 0.361 136 H C -1.175 174.406 175.328 0.421 0.000 1.235 136 H CA -0.936 55.185 56.048 0.121 0.000 1.146 136 H CB 0.575 30.381 29.762 0.074 0.000 1.859 136 H HN 0.163 nan 8.280 nan 0.000 0.548 137 I N 1.410 122.319 120.570 0.565 0.000 2.440 137 I HA 0.499 4.669 4.170 0.000 0.000 0.294 137 I C 0.630 176.870 176.117 0.205 0.000 0.995 137 I CA -0.247 61.177 61.300 0.207 0.000 1.306 137 I CB 1.660 39.724 38.000 0.107 0.000 1.407 137 I HN 0.756 nan 8.210 nan 0.000 0.501 138 G N 6.012 114.860 108.800 0.079 0.000 2.667 138 G HA2 0.695 4.655 3.960 0.000 0.000 0.298 138 G HA3 0.695 4.655 3.960 0.000 0.000 0.298 138 G C -1.168 173.777 174.900 0.074 0.000 1.377 138 G CA -0.515 44.669 45.100 0.139 0.000 0.964 138 G HN 0.461 nan 8.290 nan 0.000 0.493 139 I N 2.005 122.637 120.570 0.102 0.000 2.330 139 I HA 0.260 4.430 4.170 0.000 0.000 0.289 139 I C -0.956 175.236 176.117 0.125 0.000 1.001 139 I CA -0.705 60.664 61.300 0.116 0.000 1.193 139 I CB 1.646 39.715 38.000 0.115 0.000 1.345 139 I HN 0.245 nan 8.210 nan 0.000 0.461 140 D N 6.461 126.959 120.400 0.163 0.000 2.192 140 D HA 0.445 5.085 4.640 0.000 0.000 0.246 140 D C -0.605 175.760 176.300 0.109 0.000 1.042 140 D CA -0.232 53.871 54.000 0.172 0.000 0.847 140 D CB 2.912 43.911 40.800 0.330 0.000 1.186 140 D HN 0.035 nan 8.370 nan 0.000 0.461 141 V N 3.633 123.514 119.914 -0.055 0.000 2.419 141 V HA 0.188 4.308 4.120 0.000 0.000 0.287 141 V C 0.217 176.049 176.094 -0.437 0.000 1.017 141 V CA -0.827 61.357 62.300 -0.194 0.000 0.844 141 V CB 1.007 32.772 31.823 -0.097 0.000 1.011 141 V HN 0.546 nan 8.190 nan 0.000 0.429 142 N N 1.694 119.824 118.700 -0.949 0.000 2.815 142 N HA -0.186 4.554 4.740 0.000 0.000 0.247 142 N C 0.169 175.227 175.510 -0.753 0.000 1.030 142 N CA 1.761 54.212 53.050 -0.997 0.000 0.881 142 N CB -0.679 37.550 38.487 -0.430 0.000 1.134 142 N HN 0.902 nan 8.380 nan 0.000 0.582 143 S N -1.708 113.638 115.700 -0.590 0.000 2.547 143 S HA 0.467 4.937 4.470 0.000 0.000 0.270 143 S C 0.103 174.671 174.600 -0.054 0.000 1.150 143 S CA -0.359 57.642 58.200 -0.332 0.000 0.850 143 S CB 1.822 64.828 63.200 -0.324 0.000 1.118 143 S HN -0.118 nan 8.310 nan 0.000 0.461 144 V N 3.019 122.838 119.914 -0.158 0.000 3.623 144 V HA 0.374 4.494 4.120 0.000 0.000 0.271 144 V C 0.124 176.151 176.094 -0.113 0.000 1.248 144 V CA 0.505 62.806 62.300 0.001 0.000 1.156 144 V CB -0.700 31.087 31.823 -0.059 0.000 0.870 144 V HN 0.679 nan 8.190 nan 0.000 0.453 145 I N 1.267 121.705 120.570 -0.220 0.000 2.276 145 I HA 0.182 4.352 4.170 0.000 0.000 0.290 145 I C 0.732 176.856 176.117 0.011 0.000 1.109 145 I CA 0.006 61.242 61.300 -0.107 0.000 1.229 145 I CB 0.560 38.465 38.000 -0.159 0.000 1.452 145 I HN 0.098 nan 8.210 nan 0.000 0.497 146 S N 3.014 118.775 115.700 0.102 0.000 2.561 146 S HA -0.077 4.393 4.470 0.000 0.000 0.294 146 S C 1.613 176.245 174.600 0.053 0.000 1.294 146 S CA 0.280 58.538 58.200 0.096 0.000 1.055 146 S CB 0.683 63.960 63.200 0.128 0.000 0.819 146 S HN 0.811 nan 8.310 nan 0.000 0.503 147 T N -0.742 113.840 114.554 0.047 0.000 3.014 147 T HA 0.184 4.534 4.350 0.000 0.000 0.263 147 T C 0.325 175.048 174.700 0.039 0.000 1.078 147 T CA 0.501 62.620 62.100 0.032 0.000 1.135 147 T CB -0.010 68.876 68.868 0.031 0.000 0.895 147 T HN 0.389 nan 8.240 nan 0.000 0.480 148 K N 1.189 121.621 120.400 0.053 0.000 2.523 148 K HA 0.572 4.892 4.320 0.000 0.000 0.257 148 K C -1.080 175.557 176.600 0.061 0.000 0.932 148 K CA -0.309 56.010 56.287 0.052 0.000 0.812 148 K CB 2.430 34.967 32.500 0.062 0.000 1.326 148 K HN 0.325 nan 8.250 nan 0.000 0.433 149 T N -1.305 113.276 114.554 0.045 0.000 2.864 149 T HA 0.790 5.140 4.350 0.000 0.000 0.299 149 T C -1.446 173.303 174.700 0.081 0.000 1.166 149 T CA -0.871 61.261 62.100 0.053 0.000 1.007 149 T CB 1.606 70.423 68.868 -0.086 0.000 1.219 149 T HN 0.385 nan 8.240 nan 0.000 0.506 150 V N 2.339 122.343 119.914 0.151 0.000 2.777 150 V HA 0.717 4.838 4.120 0.000 0.000 0.306 150 V C -2.837 173.405 176.094 0.248 0.000 1.112 150 V CA -2.218 60.191 62.300 0.182 0.000 0.917 150 V CB 2.494 34.443 31.823 0.210 0.000 1.018 150 V HN 0.977 nan 8.190 nan 0.000 0.426 151 P HA 0.443 nan 4.420 nan 0.000 0.274 151 P C -1.358 176.029 177.300 0.145 0.000 1.237 151 P CA 0.021 63.211 63.100 0.150 0.000 0.793 151 P CB 0.930 32.687 31.700 0.095 0.000 0.977 152 F N -2.447 117.427 119.950 -0.127 0.000 2.665 152 F HA 0.511 5.038 4.527 0.000 0.000 0.308 152 F C -1.369 174.309 175.800 -0.203 0.000 1.112 152 F CA -0.859 56.808 58.000 -0.555 0.000 0.972 152 F CB 0.705 39.111 39.000 -0.989 0.000 1.295 152 F HN 0.028 nan 8.300 nan 0.000 0.440 153 T N 4.518 119.120 114.554 0.081 0.000 2.767 153 T HA 0.494 4.844 4.350 0.000 0.000 0.288 153 T C -0.568 174.173 174.700 0.068 0.000 0.963 153 T CA -0.337 61.787 62.100 0.040 0.000 1.019 153 T CB 1.038 69.961 68.868 0.092 0.000 0.923 153 T HN 0.754 nan 8.240 nan 0.000 0.468 154 L N 3.361 124.580 121.223 -0.006 0.000 2.397 154 L HA 0.356 4.696 4.340 0.000 0.000 0.271 154 L C 0.161 176.827 176.870 -0.340 0.000 1.148 154 L CA -0.165 54.642 54.840 -0.055 0.000 0.825 154 L CB 0.709 42.863 42.059 0.158 0.000 1.117 154 L HN 0.470 nan 8.230 nan 0.000 0.456 155 D N 3.777 123.780 120.400 -0.661 0.000 2.479 155 D HA 0.061 4.701 4.640 0.000 0.000 0.218 155 D C -0.270 175.971 176.300 -0.099 0.000 1.131 155 D CA -0.209 53.568 54.000 -0.372 0.000 0.916 155 D CB -0.103 40.472 40.800 -0.375 0.000 1.022 155 D HN 0.429 nan 8.370 nan 0.000 0.515 156 N N 2.657 121.323 118.700 -0.058 0.000 2.332 156 N HA -0.003 4.737 4.740 0.000 0.000 0.274 156 N C 1.335 176.847 175.510 0.003 0.000 1.351 156 N CA 1.564 54.608 53.050 -0.011 0.000 0.875 156 N CB 0.399 38.870 38.487 -0.027 0.000 1.140 156 N HN 0.754 nan 8.380 nan 0.000 0.489 157 G N 1.945 110.764 108.800 0.031 0.000 2.212 157 G HA2 -0.246 3.714 3.960 0.000 0.000 0.266 157 G HA3 -0.246 3.714 3.960 0.000 0.000 0.266 157 G C 0.610 175.541 174.900 0.052 0.000 0.978 157 G CA 0.545 45.663 45.100 0.030 0.000 0.632 157 G HN 0.873 nan 8.290 nan 0.000 0.537 158 G N -0.805 108.036 108.800 0.068 0.000 2.621 158 G HA2 0.573 4.533 3.960 0.000 0.000 0.271 158 G HA3 0.573 4.533 3.960 0.000 0.000 0.271 158 G C 0.112 175.086 174.900 0.125 0.000 1.236 158 G CA -0.550 44.602 45.100 0.086 0.000 0.958 158 G HN 0.574 nan 8.290 nan 0.000 0.512 159 I N 0.479 121.108 120.570 0.098 0.000 2.428 159 I HA 0.493 4.663 4.170 0.000 0.000 0.296 159 I C 0.462 176.545 176.117 -0.057 0.000 0.985 159 I CA -0.488 60.823 61.300 0.018 0.000 1.260 159 I CB 1.781 39.773 38.000 -0.013 0.000 1.389 159 I HN 0.494 nan 8.210 nan 0.000 0.484 160 A N 6.090 128.682 122.820 -0.380 0.000 2.343 160 A HA 0.634 4.954 4.320 0.000 0.000 0.316 160 A C -1.011 176.054 177.584 -0.867 0.000 1.104 160 A CA -0.769 50.724 52.037 -0.907 0.000 0.768 160 A CB 0.837 18.850 19.000 -1.645 0.000 1.213 160 A HN 0.678 nan 8.150 nan 0.000 0.456 161 N N 1.069 119.334 118.700 -0.725 0.000 2.408 161 N HA 0.541 5.281 4.740 0.000 0.000 0.280 161 N C -1.041 174.097 175.510 -0.620 0.000 1.002 161 N CA -0.217 52.507 53.050 -0.544 0.000 0.907 161 N CB 1.966 40.257 38.487 -0.327 0.000 1.161 161 N HN 0.315 nan 8.380 nan 0.000 0.488 162 V N 1.736 121.236 119.914 -0.690 0.000 2.680 162 V HA 0.532 4.652 4.120 0.000 0.000 0.309 162 V C -0.274 175.557 176.094 -0.439 0.000 1.052 162 V CA -0.754 61.154 62.300 -0.654 0.000 0.908 162 V CB 2.382 33.558 31.823 -1.078 0.000 1.001 162 V HN 0.304 nan 8.190 nan 0.000 0.431 163 V N 5.631 125.405 119.914 -0.234 0.000 2.482 163 V HA 0.528 4.648 4.120 0.000 0.000 0.295 163 V C -0.572 175.482 176.094 -0.067 0.000 1.026 163 V CA -0.288 61.935 62.300 -0.128 0.000 0.856 163 V CB 1.730 33.488 31.823 -0.109 0.000 1.001 163 V HN 0.674 nan 8.190 nan 0.000 0.424 164 I N 4.957 125.514 120.570 -0.022 0.000 2.406 164 I HA 0.558 4.728 4.170 0.000 0.000 0.290 164 I C -0.167 175.897 176.117 -0.088 0.000 0.999 164 I CA -0.558 60.748 61.300 0.010 0.000 1.124 164 I CB 1.748 39.826 38.000 0.130 0.000 1.289 164 I HN 0.382 nan 8.210 nan 0.000 0.441 165 K N 5.458 125.681 120.400 -0.294 0.000 2.378 165 K HA 0.420 4.740 4.320 0.000 0.000 0.252 165 K C -1.880 174.398 176.600 -0.535 0.000 0.931 165 K CA -0.862 55.126 56.287 -0.499 0.000 0.794 165 K CB 2.894 34.937 32.500 -0.761 0.000 1.181 165 K HN 0.439 nan 8.250 nan 0.000 0.425 166 Y N 2.293 122.138 120.300 -0.759 0.000 2.326 166 Y HA 0.219 4.769 4.550 0.000 0.000 0.329 166 Y C -1.016 174.678 175.900 -0.344 0.000 0.973 166 Y CA -1.089 56.625 58.100 -0.642 0.000 1.162 166 Y CB 1.175 38.904 38.460 -1.218 0.000 1.147 166 Y HN 0.463 nan 8.280 nan 0.000 0.456 167 D N 4.819 124.742 120.400 -0.794 0.000 2.373 167 D HA 0.362 5.002 4.640 0.000 0.000 0.227 167 D C 0.612 176.447 176.300 -0.774 0.000 1.091 167 D CA 0.266 53.951 54.000 -0.526 0.000 0.840 167 D CB 1.838 42.498 40.800 -0.234 0.000 1.060 167 D HN 0.793 nan 8.370 nan 0.000 0.502 168 A N 3.085 125.631 122.820 -0.457 0.000 1.933 168 A HA -0.178 4.142 4.320 0.000 0.000 0.218 168 A C 2.096 179.612 177.584 -0.114 0.000 1.175 168 A CA 1.979 53.916 52.037 -0.167 0.000 0.628 168 A CB -0.543 18.531 19.000 0.123 0.000 0.814 168 A HN 0.631 nan 8.150 nan 0.000 0.444 169 S N -0.466 115.170 115.700 -0.106 0.000 2.419 169 S HA -0.140 4.330 4.470 0.000 0.000 0.233 169 S C 1.602 176.152 174.600 -0.083 0.000 1.016 169 S CA 1.925 60.084 58.200 -0.067 0.000 0.974 169 S CB -0.914 62.254 63.200 -0.055 0.000 0.786 169 S HN 0.809 nan 8.310 nan 0.000 0.492 170 T N -2.371 112.100 114.554 -0.138 0.000 2.985 170 T HA 0.390 4.740 4.350 0.000 0.000 0.254 170 T C 0.493 175.121 174.700 -0.120 0.000 1.021 170 T CA -0.089 61.940 62.100 -0.118 0.000 0.957 170 T CB -0.361 68.430 68.868 -0.129 0.000 1.047 170 T HN 0.392 nan 8.240 nan 0.000 0.511 171 K N 0.642 120.926 120.400 -0.194 0.000 3.209 171 K HA -0.124 4.196 4.320 0.000 0.000 0.289 171 K C -0.535 176.024 176.600 -0.068 0.000 1.191 171 K CA 0.463 56.693 56.287 -0.095 0.000 0.851 171 K CB -1.949 30.588 32.500 0.062 0.000 1.242 171 K HN 0.559 nan 8.250 nan 0.000 0.480 172 I N 1.754 122.200 120.570 -0.208 0.000 2.371 172 I HA 0.117 4.287 4.170 0.000 0.000 0.290 172 I C 0.083 176.239 176.117 0.066 0.000 1.028 172 I CA -0.822 60.444 61.300 -0.056 0.000 1.345 172 I CB 0.708 38.636 38.000 -0.119 0.000 1.407 172 I HN -0.013 nan 8.210 nan 0.000 0.501 173 L N 8.841 130.206 121.223 0.237 0.000 2.276 173 L HA 0.403 4.744 4.340 0.000 0.000 0.286 173 L C -0.618 176.422 176.870 0.283 0.000 1.024 173 L CA -0.015 55.008 54.840 0.306 0.000 0.826 173 L CB 0.279 42.543 42.059 0.340 0.000 1.211 173 L HN 0.561 nan 8.230 nan 0.000 0.422 174 H N 3.321 122.410 119.070 0.031 0.000 2.489 174 H HA 0.749 5.305 4.556 0.000 0.000 0.343 174 H C -0.682 174.676 175.328 0.050 0.000 1.086 174 H CA -1.312 54.756 56.048 0.032 0.000 1.198 174 H CB 1.782 31.542 29.762 -0.003 0.000 1.490 174 H HN 0.472 nan 8.280 nan 0.000 0.504 175 V N 2.587 122.590 119.914 0.149 0.000 2.769 175 V HA 0.709 4.829 4.120 0.000 0.000 0.312 175 V C -1.190 174.963 176.094 0.098 0.000 1.061 175 V CA -0.675 61.687 62.300 0.103 0.000 0.931 175 V CB 1.807 33.717 31.823 0.145 0.000 1.010 175 V HN 0.674 nan 8.190 nan 0.000 0.433 176 V N 6.113 126.056 119.914 0.049 0.000 2.588 176 V HA 0.581 4.701 4.120 0.000 0.000 0.304 176 V C -0.748 175.325 176.094 -0.034 0.000 1.042 176 V CA -0.516 61.799 62.300 0.024 0.000 0.877 176 V CB 1.508 33.322 31.823 -0.015 0.000 0.996 176 V HN 0.955 nan 8.190 nan 0.000 0.425 177 L N 6.322 127.538 121.223 -0.012 0.000 2.343 177 L HA 0.816 5.157 4.340 0.000 0.000 0.278 177 L C -0.837 175.918 176.870 -0.192 0.000 0.996 177 L CA -0.015 54.725 54.840 -0.167 0.000 0.831 177 L CB 1.687 43.685 42.059 -0.100 0.000 1.232 177 L HN 0.456 nan 8.230 nan 0.000 0.413 178 V N 5.427 125.102 119.914 -0.399 0.000 2.604 178 V HA 0.483 4.603 4.120 0.000 0.000 0.305 178 V C -0.866 174.941 176.094 -0.479 0.000 1.043 178 V CA -0.337 61.786 62.300 -0.296 0.000 0.888 178 V CB 1.812 33.520 31.823 -0.192 0.000 0.995 178 V HN 0.522 nan 8.190 nan 0.000 0.429 179 F N 5.979 125.899 119.950 -0.048 0.000 2.363 179 F HA 0.406 4.933 4.527 0.000 0.000 0.366 179 F C -1.166 174.609 175.800 -0.041 0.000 1.083 179 F CA -2.192 55.778 58.000 -0.050 0.000 1.176 179 F CB 1.477 40.495 39.000 0.030 0.000 1.432 179 F HN 0.373 nan 8.300 nan 0.000 0.482 180 P HA -0.226 nan 4.420 nan 0.000 0.217 180 P C 1.435 178.767 177.300 0.053 0.000 1.151 180 P CA 1.533 64.651 63.100 0.030 0.000 0.849 180 P CB 0.311 32.004 31.700 -0.011 0.000 0.787 181 S N -0.324 115.422 115.700 0.077 0.000 2.402 181 S HA -0.023 4.447 4.470 0.000 0.000 0.229 181 S C 1.890 176.522 174.600 0.053 0.000 1.021 181 S CA 0.961 59.194 58.200 0.055 0.000 0.974 181 S CB -0.639 62.592 63.200 0.052 0.000 0.800 181 S HN 0.194 nan 8.310 nan 0.000 0.484 182 L N 0.063 121.337 121.223 0.085 0.000 2.616 182 L HA 0.310 4.650 4.340 0.000 0.000 0.229 182 L C 1.718 178.625 176.870 0.061 0.000 1.110 182 L CA 0.304 55.183 54.840 0.065 0.000 0.884 182 L CB -0.464 41.635 42.059 0.066 0.000 1.115 182 L HN 0.422 nan 8.230 nan 0.000 0.481 183 G N 1.302 110.141 108.800 0.064 0.000 2.180 183 G HA2 -0.325 3.635 3.960 0.000 0.000 0.263 183 G HA3 -0.325 3.635 3.960 0.000 0.000 0.263 183 G C 0.470 175.378 174.900 0.014 0.000 0.989 183 G CA 0.701 45.819 45.100 0.029 0.000 0.692 183 G HN 0.445 nan 8.290 nan 0.000 0.526 184 T N -1.190 113.398 114.554 0.056 0.000 2.897 184 T HA 0.706 5.056 4.350 0.000 0.000 0.294 184 T C 0.144 174.776 174.700 -0.112 0.000 1.004 184 T CA -0.569 61.511 62.100 -0.032 0.000 1.106 184 T CB 2.189 71.096 68.868 0.066 0.000 0.949 184 T HN 0.532 nan 8.240 nan 0.000 0.520 185 I N 2.257 122.622 120.570 -0.341 0.000 2.498 185 I HA 0.437 4.607 4.170 0.000 0.000 0.290 185 I C -1.287 174.540 176.117 -0.483 0.000 1.032 185 I CA -1.186 59.947 61.300 -0.278 0.000 1.073 185 I CB 1.890 39.805 38.000 -0.141 0.000 1.251 185 I HN 0.654 nan 8.210 nan 0.000 0.426 186 Y N 2.883 123.219 120.300 0.061 0.000 2.425 186 Y HA 0.619 5.169 4.550 0.000 0.000 0.344 186 Y C 0.203 176.143 175.900 0.067 0.000 0.969 186 Y CA -0.797 57.361 58.100 0.097 0.000 1.052 186 Y CB 2.390 40.941 38.460 0.152 0.000 1.215 186 Y HN 0.418 nan 8.280 nan 0.000 0.451 187 T N 4.300 118.989 114.554 0.226 0.000 2.912 187 T HA 0.789 5.139 4.350 0.000 0.000 0.299 187 T C -1.640 173.154 174.700 0.156 0.000 1.052 187 T CA -0.511 61.682 62.100 0.156 0.000 0.996 187 T CB 0.974 69.901 68.868 0.098 0.000 1.070 187 T HN 0.681 nan 8.240 nan 0.000 0.465 188 I N 2.703 123.358 120.570 0.142 0.000 2.827 188 I HA 0.780 4.950 4.170 0.000 0.000 0.298 188 I C -1.547 174.646 176.117 0.127 0.000 1.235 188 I CA -0.640 60.736 61.300 0.128 0.000 1.021 188 I CB 1.894 39.974 38.000 0.133 0.000 1.259 188 I HN 0.955 nan 8.210 nan 0.000 0.427 189 A N 4.467 127.350 122.820 0.105 0.000 2.594 189 A HA 0.813 5.133 4.320 0.000 0.000 0.295 189 A C -1.923 175.711 177.584 0.084 0.000 1.071 189 A CA -0.380 51.721 52.037 0.107 0.000 0.685 189 A CB 1.974 21.012 19.000 0.064 0.000 1.285 189 A HN 0.653 nan 8.150 nan 0.000 0.405 190 D N -0.096 120.362 120.400 0.096 0.000 2.622 190 D HA 0.451 5.091 4.640 0.000 0.000 0.255 190 D C -1.286 175.070 176.300 0.092 0.000 1.246 190 D CA -0.310 53.738 54.000 0.080 0.000 0.795 190 D CB 1.412 42.263 40.800 0.086 0.000 1.369 190 D HN 0.468 nan 8.370 nan 0.000 0.425 191 I N 1.361 121.973 120.570 0.071 0.000 2.342 191 I HA 0.423 4.593 4.170 0.000 0.000 0.291 191 I C -0.320 175.859 176.117 0.103 0.000 1.010 191 I CA -0.711 60.636 61.300 0.080 0.000 1.308 191 I CB 1.407 39.432 38.000 0.041 0.000 1.400 191 I HN 0.035 nan 8.210 nan 0.000 0.488 192 V N 4.931 124.945 119.914 0.166 0.000 2.686 192 V HA 0.244 4.364 4.120 0.000 0.000 0.306 192 V C -0.711 175.477 176.094 0.157 0.000 1.065 192 V CA -0.653 61.732 62.300 0.142 0.000 0.894 192 V CB 2.349 34.261 31.823 0.149 0.000 1.004 192 V HN 0.632 nan 8.190 nan 0.000 0.424 193 D N 3.974 124.408 120.400 0.057 0.000 2.473 193 D HA 0.377 5.017 4.640 0.000 0.000 0.226 193 D C 1.050 177.307 176.300 -0.071 0.000 1.089 193 D CA -0.239 53.771 54.000 0.017 0.000 0.883 193 D CB 1.333 42.114 40.800 -0.030 0.000 1.029 193 D HN 0.444 nan 8.370 nan 0.000 0.517 194 L N 3.048 124.207 121.223 -0.108 0.000 2.042 194 L HA -0.170 4.170 4.340 0.000 0.000 0.210 194 L C 2.440 179.151 176.870 -0.265 0.000 1.076 194 L CA 1.015 55.766 54.840 -0.147 0.000 0.749 194 L CB -0.344 41.625 42.059 -0.149 0.000 0.893 194 L HN 0.354 nan 8.230 nan 0.000 0.432 195 K N 0.069 120.158 120.400 -0.518 0.000 2.211 195 K HA -0.265 4.055 4.320 0.000 0.000 0.204 195 K C 2.178 178.366 176.600 -0.688 0.000 1.047 195 K CA 1.476 57.067 56.287 -1.160 0.000 0.935 195 K CB 0.085 31.963 32.500 -1.037 0.000 0.728 195 K HN 0.131 nan 8.250 nan 0.000 0.452 196 Q N -0.216 119.384 119.800 -0.334 0.000 2.331 196 Q HA -0.034 4.306 4.340 0.000 0.000 0.203 196 Q C 1.560 177.509 176.000 -0.087 0.000 0.944 196 Q CA 0.976 56.673 55.803 -0.177 0.000 0.892 196 Q CB 0.690 29.359 28.738 -0.115 0.000 0.983 196 Q HN 0.319 nan 8.270 nan 0.000 0.482 197 V N -3.743 116.131 119.914 -0.067 0.000 3.612 197 V HA 0.408 4.529 4.120 0.000 0.000 0.268 197 V C 0.428 176.557 176.094 0.057 0.000 1.365 197 V CA -0.142 62.151 62.300 -0.011 0.000 1.044 197 V CB 0.155 31.958 31.823 -0.033 0.000 0.820 197 V HN 0.011 nan 8.190 nan 0.000 0.444 198 L N 1.736 123.023 121.223 0.106 0.000 2.323 198 L HA 0.655 4.995 4.340 0.000 0.000 0.265 198 L C -2.447 174.674 176.870 0.418 0.000 1.012 198 L CA -2.113 52.856 54.840 0.215 0.000 0.820 198 L CB 2.397 44.577 42.059 0.202 0.000 1.334 198 L HN -0.046 nan 8.230 nan 0.000 0.427 199 P HA 0.143 nan 4.420 nan 0.000 0.277 199 P C -0.241 177.158 177.300 0.164 0.000 1.271 199 P CA -0.345 62.909 63.100 0.257 0.000 0.795 199 P CB 0.944 32.705 31.700 0.102 0.000 1.101 200 E N -0.486 119.519 120.200 -0.325 0.000 2.077 200 E HA -0.057 4.293 4.350 0.000 0.000 0.193 200 E C 0.368 176.842 176.600 -0.211 0.000 0.989 200 E CA 1.173 57.167 56.400 -0.675 0.000 0.800 200 E CB -0.130 29.092 29.700 -0.796 0.000 0.746 200 E HN 0.327 nan 8.360 nan 0.000 0.452 201 S N 0.130 115.763 115.700 -0.112 0.000 2.509 201 S HA 0.463 4.934 4.470 0.000 0.000 0.297 201 S C -0.377 174.221 174.600 -0.002 0.000 1.118 201 S CA -0.816 57.359 58.200 -0.041 0.000 1.074 201 S CB 1.747 64.917 63.200 -0.050 0.000 1.038 201 S HN 0.153 nan 8.310 nan 0.000 0.498 202 V N 1.173 121.091 119.914 0.007 0.000 3.181 202 V HA 0.663 4.783 4.120 0.000 0.000 0.307 202 V C -1.058 175.012 176.094 -0.040 0.000 1.310 202 V CA -1.247 61.052 62.300 -0.002 0.000 1.067 202 V CB 1.691 33.528 31.823 0.022 0.000 1.081 202 V HN 0.793 nan 8.190 nan 0.000 0.453 203 N N -0.536 118.119 118.700 -0.075 0.000 2.384 203 N HA 0.810 5.550 4.740 0.000 0.000 0.301 203 N C -1.073 174.269 175.510 -0.280 0.000 1.133 203 N CA -0.700 52.273 53.050 -0.128 0.000 0.853 203 N CB 2.448 40.865 38.487 -0.116 0.000 1.241 203 N HN 0.937 nan 8.380 nan 0.000 0.502 204 V N -1.565 118.154 119.914 -0.325 0.000 2.823 204 V HA 1.052 5.172 4.120 0.000 0.000 0.312 204 V C 0.206 175.955 176.094 -0.574 0.000 1.072 204 V CA -0.359 61.610 62.300 -0.552 0.000 0.937 204 V CB 1.115 32.697 31.823 -0.401 0.000 1.013 204 V HN 0.841 nan 8.190 nan 0.000 0.430 205 G N 1.890 109.982 108.800 -1.181 0.000 2.348 205 G HA2 0.572 4.532 3.960 0.000 0.000 0.296 205 G HA3 0.572 4.532 3.960 0.000 0.000 0.296 205 G C -1.980 172.061 174.900 -1.431 0.000 1.258 205 G CA -0.682 43.747 45.100 -1.117 0.000 0.868 205 G HN 0.786 nan 8.290 nan 0.000 0.488 206 F N -0.088 119.581 119.950 -0.468 0.000 2.579 206 F HA 0.856 5.383 4.527 0.000 0.000 0.324 206 F C 0.524 176.355 175.800 0.051 0.000 1.058 206 F CA -0.792 57.071 58.000 -0.229 0.000 0.944 206 F CB 2.707 41.489 39.000 -0.363 0.000 1.245 206 F HN 0.517 nan 8.300 nan 0.000 0.477 207 S N 0.716 116.561 115.700 0.242 0.000 2.543 207 S HA 0.884 5.354 4.470 0.000 0.000 0.271 207 S C -1.370 173.237 174.600 0.012 0.000 1.148 207 S CA -0.309 57.953 58.200 0.103 0.000 0.914 207 S CB 1.303 64.492 63.200 -0.018 0.000 1.096 207 S HN 1.017 nan 8.310 nan 0.000 0.471 208 A N 2.150 124.941 122.820 -0.048 0.000 2.564 208 A HA 1.058 5.378 4.320 0.000 0.000 0.288 208 A C -1.015 176.477 177.584 -0.154 0.000 1.164 208 A CA -0.275 51.645 52.037 -0.194 0.000 0.712 208 A CB 1.395 20.164 19.000 -0.384 0.000 1.303 208 A HN 1.832 nan 8.150 nan 0.000 0.418 209 A N -0.225 122.447 122.820 -0.247 0.000 2.577 209 A HA 0.781 5.101 4.320 0.000 0.000 0.297 209 A C -0.275 177.296 177.584 -0.022 0.000 1.060 209 A CA 0.236 52.219 52.037 -0.090 0.000 0.697 209 A CB 0.678 19.653 19.000 -0.041 0.000 1.281 209 A HN 2.077 nan 8.150 nan 0.000 0.402 210 T N -0.601 113.984 114.554 0.052 0.000 2.922 210 T HA 0.726 5.077 4.350 0.000 0.000 0.281 210 T C 0.863 175.578 174.700 0.025 0.000 1.005 210 T CA -0.094 62.084 62.100 0.130 0.000 0.982 210 T CB 0.990 69.980 68.868 0.204 0.000 1.158 210 T HN 2.001 nan 8.240 nan 0.000 0.566 211 G N 0.829 109.663 108.800 0.056 0.000 2.187 211 G HA2 0.138 4.098 3.960 0.000 0.000 0.239 211 G HA3 0.138 4.098 3.960 0.000 0.000 0.239 211 G C -0.045 174.810 174.900 -0.075 0.000 1.200 211 G CA -0.154 44.931 45.100 -0.024 0.000 0.888 211 G HN 0.894 nan 8.290 nan 0.000 0.482 212 D N 2.749 123.040 120.400 -0.181 0.000 2.345 212 D HA 0.127 4.768 4.640 0.000 0.000 0.247 212 D C -1.266 174.880 176.300 -0.257 0.000 1.108 212 D CA -1.658 52.205 54.000 -0.227 0.000 0.894 212 D CB 1.817 42.502 40.800 -0.190 0.000 1.203 212 D HN 0.038 nan 8.370 nan 0.000 0.430 213 P HA -0.159 nan 4.420 nan 0.000 0.218 213 P C 1.452 178.675 177.300 -0.128 0.000 1.148 213 P CA 1.279 64.054 63.100 -0.543 0.000 0.822 213 P CB 0.064 31.403 31.700 -0.601 0.000 0.784 214 S N -1.109 114.529 115.700 -0.103 0.000 2.465 214 S HA -0.102 4.368 4.470 0.000 0.000 0.241 214 S C 2.127 176.739 174.600 0.021 0.000 1.000 214 S CA 1.365 59.549 58.200 -0.027 0.000 0.964 214 S CB -1.745 61.436 63.200 -0.032 0.000 0.763 214 S HN 0.223 nan 8.310 nan 0.000 0.512 215 G N 1.055 109.871 108.800 0.027 0.000 2.650 215 G HA2 0.080 4.040 3.960 0.000 0.000 0.214 215 G HA3 0.080 4.040 3.960 0.000 0.000 0.214 215 G C 0.513 175.509 174.900 0.161 0.000 1.136 215 G CA -0.016 45.128 45.100 0.073 0.000 0.789 215 G HN 0.588 nan 8.290 nan 0.000 0.536 216 K N -0.718 119.819 120.400 0.228 0.000 3.016 216 K HA -0.157 4.163 4.320 0.000 0.000 0.262 216 K C -0.583 176.136 176.600 0.198 0.000 1.043 216 K CA 0.820 57.261 56.287 0.257 0.000 0.761 216 K CB -1.022 31.559 32.500 0.135 0.000 1.230 216 K HN 0.377 nan 8.250 nan 0.000 0.485 217 Q N 0.084 120.042 119.800 0.264 0.000 2.397 217 Q HA 0.216 4.556 4.340 0.000 0.000 0.260 217 Q C 0.338 176.284 176.000 -0.089 0.000 1.002 217 Q CA -0.296 55.542 55.803 0.059 0.000 0.716 217 Q CB 1.439 30.279 28.738 0.171 0.000 1.258 217 Q HN 0.157 nan 8.270 nan 0.000 0.477 218 R N 0.702 120.818 120.500 -0.640 0.000 2.189 218 R HA -0.070 4.270 4.340 0.000 0.000 0.223 218 R C 1.086 177.103 176.300 -0.472 0.000 1.092 218 R CA 0.895 56.336 56.100 -1.100 0.000 0.989 218 R CB 0.288 29.811 30.300 -1.296 0.000 0.876 218 R HN 0.370 nan 8.270 nan 0.000 0.457 219 N N 0.876 119.387 118.700 -0.315 0.000 2.396 219 N HA -0.037 4.703 4.740 0.000 0.000 0.180 219 N C 0.146 175.733 175.510 0.128 0.000 1.028 219 N CA 0.745 53.678 53.050 -0.196 0.000 0.893 219 N CB 0.036 38.418 38.487 -0.175 0.000 0.967 219 N HN 0.124 nan 8.380 nan 0.000 0.440 220 A N 0.437 123.358 122.820 0.168 0.000 2.993 220 A HA 0.286 4.607 4.320 0.000 0.000 0.281 220 A C 0.498 178.220 177.584 0.230 0.000 1.847 220 A CA 0.373 52.561 52.037 0.251 0.000 1.470 220 A CB -0.685 18.434 19.000 0.198 0.000 1.028 220 A HN 0.119 nan 8.150 nan 0.000 0.604 221 T N 0.308 115.021 114.554 0.265 0.000 2.739 221 T HA 0.653 5.003 4.350 0.000 0.000 0.303 221 T C -1.373 173.441 174.700 0.189 0.000 1.389 221 T CA 0.042 62.294 62.100 0.254 0.000 1.001 221 T CB 1.290 70.338 68.868 0.300 0.000 1.436 221 T HN 0.884 nan 8.240 nan 0.000 0.500 222 E N -0.650 119.615 120.200 0.108 0.000 2.421 222 E HA 0.469 4.819 4.350 0.000 0.000 0.276 222 E C -1.331 175.161 176.600 -0.180 0.000 1.154 222 E CA -1.167 55.197 56.400 -0.060 0.000 0.883 222 E CB 0.346 29.981 29.700 -0.108 0.000 1.429 222 E HN 0.707 nan 8.360 nan 0.000 0.436 223 T N -1.628 112.768 114.554 -0.263 0.000 2.927 223 T HA 0.578 4.928 4.350 0.000 0.000 0.281 223 T C -0.489 173.893 174.700 -0.530 0.000 0.998 223 T CA -0.588 61.373 62.100 -0.231 0.000 1.019 223 T CB 0.730 69.542 68.868 -0.093 0.000 1.061 223 T HN 0.587 nan 8.240 nan 0.000 0.518 224 H N -0.098 118.976 119.070 0.007 0.000 2.538 224 H HA 0.352 4.908 4.556 0.000 0.000 0.239 224 H C -1.202 174.092 175.328 -0.055 0.000 1.401 224 H CA -0.764 55.262 56.048 -0.037 0.000 1.499 224 H CB 0.239 29.976 29.762 -0.042 0.000 1.624 224 H HN 0.552 nan 8.280 nan 0.000 0.524 225 D N 2.099 122.522 120.400 0.039 0.000 2.177 225 D HA 0.224 4.864 4.640 0.000 0.000 0.247 225 D C 0.232 176.551 176.300 0.032 0.000 1.063 225 D CA -0.392 53.623 54.000 0.025 0.000 0.867 225 D CB 2.030 42.859 40.800 0.048 0.000 1.168 225 D HN 0.303 nan 8.370 nan 0.000 0.445 226 I N 3.159 123.701 120.570 -0.046 0.000 2.330 226 I HA 0.047 4.217 4.170 0.000 0.000 0.289 226 I C 1.005 177.223 176.117 0.168 0.000 1.001 226 I CA -0.477 60.793 61.300 -0.050 0.000 1.193 226 I CB 1.671 39.419 38.000 -0.421 0.000 1.345 226 I HN 0.195 nan 8.210 nan 0.000 0.461 227 L N 4.209 125.554 121.223 0.203 0.000 2.168 227 L HA 0.116 4.456 4.340 0.000 0.000 0.203 227 L C 1.038 178.038 176.870 0.217 0.000 1.078 227 L CA 1.043 56.007 54.840 0.207 0.000 0.780 227 L CB -0.979 41.152 42.059 0.121 0.000 0.939 227 L HN 0.725 nan 8.230 nan 0.000 0.451 228 S N -3.018 112.832 115.700 0.250 0.000 2.596 228 S HA 0.575 5.045 4.470 0.000 0.000 0.270 228 S C -1.936 172.963 174.600 0.498 0.000 1.155 228 S CA -0.703 57.626 58.200 0.216 0.000 0.827 228 S CB 2.638 65.916 63.200 0.129 0.000 1.130 228 S HN 0.145 nan 8.310 nan 0.000 0.467 229 W N 1.860 123.340 121.300 0.301 0.000 3.827 229 W HA 0.637 5.297 4.660 0.000 0.000 0.307 229 W C -1.551 175.245 176.519 0.461 0.000 1.204 229 W CA -0.283 57.364 57.345 0.503 0.000 1.250 229 W CB 1.330 31.229 29.460 0.731 0.000 1.281 229 W HN 1.265 nan 8.180 nan 0.000 0.494 230 S N 5.208 121.121 115.700 0.354 0.000 2.548 230 S HA 0.883 5.353 4.470 0.000 0.000 0.286 230 S C -1.687 172.803 174.600 -0.184 0.000 1.098 230 S CA -0.574 57.583 58.200 -0.073 0.000 0.930 230 S CB 2.414 65.594 63.200 -0.034 0.000 1.070 230 S HN 0.671 nan 8.310 nan 0.000 0.480 231 F N 1.354 120.791 119.950 -0.855 0.000 2.591 231 F HA 0.755 5.282 4.527 0.000 0.000 0.309 231 F C -0.752 174.613 175.800 -0.725 0.000 1.098 231 F CA -0.110 57.404 58.000 -0.810 0.000 0.937 231 F CB 2.182 40.403 39.000 -1.300 0.000 1.250 231 F HN 0.833 nan 8.300 nan 0.000 0.447 232 S N 3.847 118.895 115.700 -1.087 0.000 2.572 232 S HA 0.896 5.366 4.470 0.000 0.000 0.274 232 S C -1.679 172.510 174.600 -0.684 0.000 1.150 232 S CA -0.087 57.722 58.200 -0.652 0.000 0.944 232 S CB 1.220 64.200 63.200 -0.368 0.000 1.071 232 S HN 1.271 nan 8.310 nan 0.000 0.479 233 A N 2.915 125.560 122.820 -0.292 0.000 2.449 233 A HA 0.841 5.161 4.320 0.000 0.000 0.302 233 A C -0.791 176.818 177.584 0.042 0.000 1.048 233 A CA -0.622 51.387 52.037 -0.047 0.000 0.708 233 A CB 1.991 21.087 19.000 0.160 0.000 1.274 233 A HN 0.691 nan 8.150 nan 0.000 0.410 234 S N 1.321 117.071 115.700 0.083 0.000 2.605 234 S HA 0.547 5.017 4.470 0.000 0.000 0.308 234 S C -0.921 173.748 174.600 0.114 0.000 1.113 234 S CA -0.320 57.925 58.200 0.075 0.000 1.049 234 S CB 0.935 64.160 63.200 0.041 0.000 1.001 234 S HN 0.623 nan 8.310 nan 0.000 0.480 235 L N 5.873 127.160 121.223 0.107 0.000 2.435 235 L HA 0.384 4.724 4.340 0.000 0.000 0.253 235 L C -2.278 174.647 176.870 0.092 0.000 1.087 235 L CA -2.287 52.626 54.840 0.123 0.000 0.950 235 L CB 1.225 43.362 42.059 0.131 0.000 1.304 235 L HN 0.376 nan 8.230 nan 0.000 0.453 236 P HA 0.124 nan 4.420 nan 0.000 0.257 236 P C 0.273 177.611 177.300 0.063 0.000 1.189 236 P CA 0.953 64.090 63.100 0.062 0.000 0.780 236 P CB 0.478 32.211 31.700 0.055 0.000 0.772 237 G N 0.000 108.831 108.800 0.051 0.000 5.446 237 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 237 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 237 G CA 0.000 45.128 45.100 0.046 0.000 0.502 237 G HN 0.000 nan 8.290 nan 0.000 0.925