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 1zfn_1_D DATA FIRST_RESID 1 DATA SEQUENCE MNDRDFMRYS RQILLDDIAL DGQQKLLDSQ VLIIGLGGLG TPAALYLAGA DATA SEQUENCE GVGTLVLADD DDVHLSNLQR QILFTTEDID RPKSQVSQQR LTQLNPDIQL DATA SEQUENCE TALQQRLTGE ALKDAVARAD VVLDCTDNMA TRQEINAACV ALNTPLITAS DATA SEQUENCE AVGFGGQLMV LTPPWEQGCY RCLWPDNXXX XXXXXXAGVV GPVVGVMGTL DATA SEQUENCE QALEAIKLLS GIETPAGELR LFDGKSSQWR SLALRRASGC PVCG 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.966 176.300 -0.557 0.000 1.140 1 M CA 0.000 55.113 55.300 -0.311 0.000 0.988 1 M CB 0.000 32.415 32.600 -0.309 0.000 1.302 2 N N 0.214 118.542 118.700 -0.619 0.000 2.890 2 N HA 0.449 5.189 4.740 0.000 0.000 0.317 2 N C -0.354 174.801 175.510 -0.591 0.000 1.355 2 N CA -0.581 52.172 53.050 -0.495 0.000 0.803 2 N CB 0.512 38.872 38.487 -0.212 0.000 1.465 2 N HN 0.486 nan 8.380 nan 0.000 0.591 3 D N -0.326 119.987 120.400 -0.145 0.000 2.271 3 D HA -0.142 4.498 4.640 0.000 0.000 0.207 3 D C 1.688 177.973 176.300 -0.026 0.000 0.983 3 D CA 1.259 55.298 54.000 0.065 0.000 0.878 3 D CB 0.077 40.928 40.800 0.085 0.000 0.920 3 D HN 0.433 nan 8.370 nan 0.000 0.479 4 R N 0.841 121.266 120.500 -0.126 0.000 2.061 4 R HA -0.075 4.265 4.340 0.000 0.000 0.230 4 R C 1.339 177.524 176.300 -0.191 0.000 1.140 4 R CA 1.475 57.497 56.100 -0.130 0.000 0.940 4 R CB -0.518 29.705 30.300 -0.128 0.000 0.839 4 R HN 0.038 nan 8.270 nan 0.000 0.429 5 D N -0.217 120.021 120.400 -0.269 0.000 2.144 5 D HA -0.173 4.467 4.640 0.000 0.000 0.199 5 D C 1.920 178.138 176.300 -0.136 0.000 0.984 5 D CA 1.248 55.072 54.000 -0.294 0.000 0.834 5 D CB -0.280 40.419 40.800 -0.168 0.000 0.955 5 D HN 0.294 nan 8.370 nan 0.000 0.465 6 F N 0.124 120.063 119.950 -0.020 0.000 2.171 6 F HA -0.156 4.371 4.527 0.000 0.000 0.300 6 F C 2.543 178.327 175.800 -0.026 0.000 1.090 6 F CA 0.271 58.278 58.000 0.012 0.000 1.293 6 F CB -0.066 38.941 39.000 0.013 0.000 1.013 6 F HN -0.092 nan 8.300 nan 0.000 0.486 7 M N -0.163 119.501 119.600 0.106 0.000 2.193 7 M HA -0.101 4.379 4.480 0.000 0.000 0.265 7 M C 2.219 178.479 176.300 -0.066 0.000 1.071 7 M CA 1.305 56.619 55.300 0.023 0.000 1.140 7 M CB -0.998 31.601 32.600 -0.003 0.000 1.369 7 M HN 0.077 nan 8.290 nan 0.000 0.423 8 R N -0.343 120.023 120.500 -0.223 0.000 2.083 8 R HA -0.182 4.158 4.340 0.000 0.000 0.237 8 R C 1.210 177.316 176.300 -0.323 0.000 1.137 8 R CA 1.794 57.658 56.100 -0.393 0.000 0.951 8 R CB -0.220 29.623 30.300 -0.760 0.000 0.851 8 R HN 0.377 nan 8.270 nan 0.000 0.434 9 Y N 0.601 120.936 120.300 0.058 0.000 2.493 9 Y HA 0.104 4.654 4.550 0.000 0.000 0.275 9 Y C 2.195 178.138 175.900 0.071 0.000 1.183 9 Y CA -0.104 58.033 58.100 0.062 0.000 1.258 9 Y CB 0.458 38.959 38.460 0.068 0.000 1.108 9 Y HN 0.229 nan 8.280 nan 0.000 0.521 10 S N 0.470 116.261 115.700 0.151 0.000 2.374 10 S HA -0.283 4.187 4.470 0.000 0.000 0.227 10 S C 1.877 176.532 174.600 0.090 0.000 1.037 10 S CA 1.239 59.507 58.200 0.113 0.000 1.024 10 S CB -0.222 63.019 63.200 0.069 0.000 0.861 10 S HN 0.294 nan 8.310 nan 0.000 0.456 11 R N 1.348 121.900 120.500 0.086 0.000 2.285 11 R HA 0.208 4.548 4.340 0.000 0.000 0.213 11 R C 2.358 178.699 176.300 0.069 0.000 1.068 11 R CA 1.205 57.345 56.100 0.067 0.000 1.004 11 R CB -0.511 29.825 30.300 0.061 0.000 0.873 11 R HN 0.699 nan 8.270 nan 0.000 0.467 12 Q N -1.222 118.637 119.800 0.097 0.000 2.387 12 Q HA 0.211 4.551 4.340 0.000 0.000 0.212 12 Q C 1.839 177.875 176.000 0.060 0.000 0.925 12 Q CA 0.298 56.145 55.803 0.072 0.000 0.901 12 Q CB 0.211 28.996 28.738 0.078 0.000 1.020 12 Q HN 0.205 nan 8.270 nan 0.000 0.545 13 I N 1.087 121.713 120.570 0.092 0.000 2.264 13 I HA -0.302 3.868 4.170 0.000 0.000 0.248 13 I C 1.813 177.949 176.117 0.032 0.000 1.111 13 I CA 1.275 62.619 61.300 0.073 0.000 1.382 13 I CB -0.016 38.054 38.000 0.116 0.000 1.060 13 I HN 0.231 nan 8.210 nan 0.000 0.418 14 L N 0.285 121.525 121.223 0.029 0.000 2.376 14 L HA -0.057 4.283 4.340 0.000 0.000 0.219 14 L C 0.724 177.596 176.870 0.004 0.000 1.133 14 L CA 0.215 55.060 54.840 0.008 0.000 0.816 14 L CB -0.322 41.742 42.059 0.009 0.000 0.933 14 L HN 0.170 nan 8.230 nan 0.000 0.449 15 L N 0.382 121.610 121.223 0.009 0.000 2.319 15 L HA 0.053 4.393 4.340 0.000 0.000 0.280 15 L C 1.087 177.955 176.870 -0.004 0.000 1.099 15 L CA -0.535 54.306 54.840 0.001 0.000 0.828 15 L CB 0.749 42.809 42.059 0.002 0.000 1.150 15 L HN 0.019 nan 8.230 nan 0.000 0.442 16 D N 0.953 121.348 120.400 -0.009 0.000 2.133 16 D HA -0.201 4.439 4.640 0.000 0.000 0.195 16 D C 1.299 177.591 176.300 -0.013 0.000 0.997 16 D CA 1.556 55.549 54.000 -0.011 0.000 0.840 16 D CB 0.089 40.881 40.800 -0.013 0.000 0.947 16 D HN 0.547 nan 8.370 nan 0.000 0.452 17 D N -0.418 119.973 120.400 -0.015 0.000 2.348 17 D HA -0.058 4.583 4.640 0.000 0.000 0.216 17 D C 1.620 177.910 176.300 -0.018 0.000 0.970 17 D CA 0.376 54.365 54.000 -0.018 0.000 0.889 17 D CB 0.591 41.377 40.800 -0.022 0.000 0.912 17 D HN 0.217 nan 8.370 nan 0.000 0.524 18 I N 0.494 121.056 120.570 -0.014 0.000 3.744 18 I HA 0.164 4.334 4.170 0.000 0.000 0.240 18 I C 1.352 177.464 176.117 -0.009 0.000 1.096 18 I CA 0.389 61.680 61.300 -0.015 0.000 1.558 18 I CB -1.262 36.731 38.000 -0.012 0.000 1.531 18 I HN -0.094 nan 8.210 nan 0.000 0.459 19 A N 0.877 123.697 122.820 0.000 0.000 6.359 19 A HA -0.289 4.031 4.320 0.000 0.000 0.256 19 A C 0.999 178.593 177.584 0.017 0.000 2.122 19 A CA 0.932 52.973 52.037 0.007 0.000 0.707 19 A CB -1.609 17.390 19.000 -0.002 0.000 1.048 19 A HN 0.383 nan 8.150 nan 0.000 0.373 20 L N -0.540 120.697 121.223 0.024 0.000 2.083 20 L HA -0.094 4.246 4.340 0.000 0.000 0.209 20 L C 2.089 178.978 176.870 0.031 0.000 1.083 20 L CA 2.897 57.767 54.840 0.050 0.000 0.752 20 L CB -0.672 41.417 42.059 0.050 0.000 0.899 20 L HN 0.694 nan 8.230 nan 0.000 0.433 21 D N -0.584 119.824 120.400 0.013 0.000 2.088 21 D HA -0.184 4.456 4.640 0.000 0.000 0.191 21 D C 2.004 178.298 176.300 -0.010 0.000 0.992 21 D CA 1.689 55.690 54.000 0.002 0.000 0.831 21 D CB -0.586 40.212 40.800 -0.004 0.000 0.973 21 D HN 0.480 nan 8.370 nan 0.000 0.447 22 G N 0.733 109.522 108.800 -0.017 0.000 2.446 22 G HA2 -0.336 3.624 3.960 0.000 0.000 0.217 22 G HA3 -0.336 3.624 3.960 0.000 0.000 0.217 22 G C 1.618 176.486 174.900 -0.053 0.000 1.168 22 G CA 1.041 46.122 45.100 -0.032 0.000 0.771 22 G HN 0.195 nan 8.290 nan 0.000 0.551 23 Q N -0.159 119.610 119.800 -0.051 0.000 2.197 23 Q HA -0.166 4.174 4.340 0.000 0.000 0.207 23 Q C 2.459 178.391 176.000 -0.113 0.000 0.984 23 Q CA 2.128 57.866 55.803 -0.108 0.000 0.869 23 Q CB -0.373 28.340 28.738 -0.043 0.000 0.906 23 Q HN 0.570 nan 8.270 nan 0.000 0.426 24 Q N -0.146 119.627 119.800 -0.046 0.000 2.096 24 Q HA -0.001 4.339 4.340 0.000 0.000 0.197 24 Q C 1.610 177.583 176.000 -0.045 0.000 0.964 24 Q CA 1.585 57.369 55.803 -0.033 0.000 0.838 24 Q CB 0.041 28.779 28.738 -0.001 0.000 0.906 24 Q HN 0.355 nan 8.270 nan 0.000 0.444 25 K N -0.136 120.238 120.400 -0.042 0.000 2.147 25 K HA -0.109 4.211 4.320 0.000 0.000 0.205 25 K C 2.036 178.604 176.600 -0.054 0.000 1.049 25 K CA 1.145 57.408 56.287 -0.040 0.000 0.936 25 K CB -0.163 32.316 32.500 -0.035 0.000 0.722 25 K HN 0.249 nan 8.250 nan 0.000 0.446 26 L N 0.739 121.913 121.223 -0.081 0.000 1.976 26 L HA -0.192 4.148 4.340 0.000 0.000 0.209 26 L C 2.295 179.109 176.870 -0.093 0.000 1.071 26 L CA 1.207 55.988 54.840 -0.097 0.000 0.746 26 L CB -0.499 41.467 42.059 -0.155 0.000 0.890 26 L HN 0.174 nan 8.230 nan 0.000 0.432 27 L N -0.346 120.808 121.223 -0.116 0.000 2.349 27 L HA -0.207 4.133 4.340 0.000 0.000 0.220 27 L C 0.985 177.830 176.870 -0.042 0.000 1.130 27 L CA 0.763 55.554 54.840 -0.082 0.000 0.791 27 L CB -0.379 41.633 42.059 -0.079 0.000 0.918 27 L HN 0.331 nan 8.230 nan 0.000 0.444 28 D N -1.342 119.035 120.400 -0.038 0.000 2.424 28 D HA 0.139 4.779 4.640 0.000 0.000 0.220 28 D C 0.299 176.586 176.300 -0.021 0.000 1.150 28 D CA 0.202 54.188 54.000 -0.023 0.000 0.831 28 D CB 0.686 41.474 40.800 -0.019 0.000 0.981 28 D HN 0.056 nan 8.370 nan 0.000 0.500 29 S N 0.297 115.982 115.700 -0.025 0.000 2.621 29 S HA 0.404 4.874 4.470 0.000 0.000 0.302 29 S C -0.334 174.258 174.600 -0.013 0.000 1.093 29 S CA -0.698 57.490 58.200 -0.020 0.000 1.017 29 S CB 2.827 66.012 63.200 -0.025 0.000 1.077 29 S HN 0.061 nan 8.310 nan 0.000 0.517 30 Q N 1.659 121.455 119.800 -0.007 0.000 2.330 30 Q HA 0.618 4.958 4.340 0.000 0.000 0.269 30 Q C -1.942 174.059 176.000 0.002 0.000 1.022 30 Q CA -0.526 55.276 55.803 -0.001 0.000 0.796 30 Q CB 1.297 30.036 28.738 0.002 0.000 1.271 30 Q HN 0.475 nan 8.270 nan 0.000 0.450 31 V N 4.976 124.892 119.914 0.004 0.000 2.444 31 V HA 0.321 4.441 4.120 0.000 0.000 0.294 31 V C -0.732 175.368 176.094 0.011 0.000 1.022 31 V CA -0.823 61.481 62.300 0.008 0.000 0.850 31 V CB 1.537 33.365 31.823 0.008 0.000 0.992 31 V HN 0.714 nan 8.190 nan 0.000 0.426 32 L N 7.339 128.570 121.223 0.013 0.000 2.260 32 L HA 0.557 4.897 4.340 0.000 0.000 0.289 32 L C -0.314 176.564 176.870 0.013 0.000 1.057 32 L CA 0.390 55.239 54.840 0.014 0.000 0.811 32 L CB 0.614 42.682 42.059 0.014 0.000 1.184 32 L HN 0.541 nan 8.230 nan 0.000 0.429 33 I N 7.166 127.744 120.570 0.014 0.000 2.347 33 I HA 0.272 4.442 4.170 0.000 0.000 0.283 33 I C -0.235 175.890 176.117 0.013 0.000 1.058 33 I CA -0.308 61.000 61.300 0.014 0.000 1.202 33 I CB 0.470 38.479 38.000 0.016 0.000 1.386 33 I HN 0.506 nan 8.210 nan 0.000 0.475 34 I N 5.954 126.529 120.570 0.008 0.000 2.379 34 I HA 0.406 4.576 4.170 0.000 0.000 0.290 34 I C 0.882 177.004 176.117 0.008 0.000 1.063 34 I CA 0.051 61.354 61.300 0.005 0.000 1.351 34 I CB 0.494 38.490 38.000 -0.006 0.000 1.410 34 I HN 0.793 nan 8.210 nan 0.000 0.505 35 G N 6.233 115.045 108.800 0.019 0.000 3.190 35 G HA2 -0.147 3.813 3.960 0.000 0.000 0.686 35 G HA3 -0.147 3.813 3.960 0.000 0.000 0.686 35 G C -0.779 174.147 174.900 0.043 0.000 1.033 35 G CA -0.976 44.142 45.100 0.030 0.000 0.797 35 G HN 0.606 nan 8.290 nan 0.000 0.567 36 L N 3.188 124.456 121.223 0.076 0.000 2.892 36 L HA 0.526 4.866 4.340 0.000 0.000 0.251 36 L C 1.415 178.360 176.870 0.124 0.000 1.339 36 L CA 0.048 54.944 54.840 0.093 0.000 0.900 36 L CB 0.216 42.370 42.059 0.159 0.000 1.246 36 L HN 0.820 nan 8.230 nan 0.000 0.524 37 G N -0.272 108.573 108.800 0.076 0.000 3.227 37 G HA2 0.315 4.276 3.960 0.000 0.000 0.171 37 G HA3 0.315 4.276 3.960 0.000 0.000 0.171 37 G C 1.047 175.957 174.900 0.017 0.000 1.463 37 G CA 0.433 45.584 45.100 0.085 0.000 1.016 37 G HN 0.272 nan 8.290 nan 0.000 0.594 38 G N -0.497 108.317 108.800 0.023 0.000 2.443 38 G HA2 0.001 3.961 3.960 0.000 0.000 0.219 38 G HA3 0.001 3.961 3.960 0.000 0.000 0.219 38 G C 1.617 176.517 174.900 0.000 0.000 1.131 38 G CA 0.634 45.736 45.100 0.003 0.000 0.775 38 G HN 0.295 nan 8.290 nan 0.000 0.547 39 L N 0.201 121.429 121.223 0.009 0.000 2.115 39 L HA 0.171 4.511 4.340 0.000 0.000 0.200 39 L C 3.167 180.042 176.870 0.008 0.000 1.094 39 L CA 0.922 55.772 54.840 0.016 0.000 0.769 39 L CB -0.967 41.103 42.059 0.019 0.000 0.931 39 L HN 0.247 nan 8.230 nan 0.000 0.455 40 G N -0.675 108.127 108.800 0.003 0.000 2.475 40 G HA2 -0.265 3.696 3.960 0.000 0.000 0.220 40 G HA3 -0.265 3.696 3.960 0.000 0.000 0.220 40 G C 1.566 176.443 174.900 -0.037 0.000 1.125 40 G CA 1.470 46.569 45.100 -0.003 0.000 0.755 40 G HN 0.253 nan 8.290 nan 0.000 0.565 41 T N 1.638 116.139 114.554 -0.088 0.000 2.622 41 T HA -0.089 4.261 4.350 0.000 0.000 0.266 41 T C 0.478 175.106 174.700 -0.119 0.000 1.047 41 T CA 1.815 63.802 62.100 -0.189 0.000 1.159 41 T CB -0.683 67.992 68.868 -0.322 0.000 0.863 41 T HN 0.342 nan 8.240 nan 0.000 0.422 42 P HA 0.100 nan 4.420 nan 0.000 0.220 42 P C 1.354 178.732 177.300 0.131 0.000 1.152 42 P CA 1.159 64.284 63.100 0.043 0.000 0.812 42 P CB -0.124 31.643 31.700 0.111 0.000 0.792 43 A N 0.950 123.823 122.820 0.088 0.000 1.908 43 A HA -0.103 4.217 4.320 0.000 0.000 0.218 43 A C 2.520 180.150 177.584 0.077 0.000 1.181 43 A CA 2.328 54.423 52.037 0.098 0.000 0.627 43 A CB -1.539 17.491 19.000 0.050 0.000 0.818 43 A HN 0.254 nan 8.150 nan 0.000 0.445 44 A N -0.399 122.432 122.820 0.019 0.000 1.898 44 A HA 0.036 4.356 4.320 0.000 0.000 0.216 44 A C 2.149 179.714 177.584 -0.033 0.000 1.181 44 A CA 1.302 53.336 52.037 -0.005 0.000 0.620 44 A CB -0.564 18.419 19.000 -0.028 0.000 0.819 44 A HN 0.456 nan 8.150 nan 0.000 0.442 45 L N -2.002 119.165 121.223 -0.093 0.000 2.079 45 L HA -0.245 4.095 4.340 0.000 0.000 0.210 45 L C 2.568 179.276 176.870 -0.270 0.000 1.081 45 L CA 1.691 56.404 54.840 -0.213 0.000 0.752 45 L CB -0.611 41.245 42.059 -0.338 0.000 0.896 45 L HN 0.524 nan 8.230 nan 0.000 0.433 46 Y N -0.722 119.570 120.300 -0.013 0.000 2.286 46 Y HA -0.111 4.439 4.550 0.000 0.000 0.293 46 Y C 2.420 178.321 175.900 0.002 0.000 1.124 46 Y CA 0.611 58.709 58.100 -0.004 0.000 1.178 46 Y CB 0.016 38.471 38.460 -0.009 0.000 1.010 46 Y HN 0.043 nan 8.280 nan 0.000 0.536 47 L N -1.090 120.204 121.223 0.119 0.000 2.217 47 L HA -0.163 4.177 4.340 0.000 0.000 0.211 47 L C 2.517 179.413 176.870 0.043 0.000 1.107 47 L CA 0.852 55.733 54.840 0.068 0.000 0.783 47 L CB -0.576 41.511 42.059 0.046 0.000 0.919 47 L HN 0.238 nan 8.230 nan 0.000 0.442 48 A N 0.318 123.154 122.820 0.027 0.000 1.843 48 A HA -0.031 4.289 4.320 0.000 0.000 0.213 48 A C 2.367 179.986 177.584 0.059 0.000 1.202 48 A CA 1.297 53.350 52.037 0.027 0.000 0.607 48 A CB -1.278 17.722 19.000 -0.001 0.000 0.847 48 A HN 0.372 nan 8.150 nan 0.000 0.445 49 G N -0.579 108.241 108.800 0.034 0.000 2.479 49 G HA2 0.026 3.986 3.960 0.000 0.000 0.220 49 G HA3 0.026 3.986 3.960 0.000 0.000 0.220 49 G C 1.400 176.399 174.900 0.164 0.000 1.115 49 G CA 1.315 46.456 45.100 0.069 0.000 0.757 49 G HN 0.845 nan 8.290 nan 0.000 0.560 50 A N -0.459 122.441 122.820 0.132 0.000 2.178 50 A HA 0.487 4.807 4.320 0.000 0.000 0.211 50 A C 1.820 179.398 177.584 -0.011 0.000 1.157 50 A CA 1.225 53.325 52.037 0.104 0.000 0.780 50 A CB -0.272 18.767 19.000 0.065 0.000 0.828 50 A HN 1.613 nan 8.150 nan 0.000 0.476 51 G N -0.594 108.236 108.800 0.050 0.000 2.303 51 G HA2 -0.120 3.840 3.960 0.000 0.000 0.260 51 G HA3 -0.120 3.840 3.960 0.000 0.000 0.260 51 G C -0.126 174.697 174.900 -0.128 0.000 1.106 51 G CA -0.043 45.000 45.100 -0.094 0.000 0.900 51 G HN 0.777 nan 8.290 nan 0.000 0.495 52 V N 0.553 120.442 119.914 -0.043 0.000 2.488 52 V HA 0.509 4.629 4.120 0.000 0.000 0.277 52 V C 2.081 178.161 176.094 -0.024 0.000 1.046 52 V CA 0.694 62.969 62.300 -0.041 0.000 0.986 52 V CB 0.946 32.760 31.823 -0.015 0.000 0.989 52 V HN 0.700 nan 8.190 nan 0.000 0.475 53 G N 4.473 113.253 108.800 -0.032 0.000 2.513 53 G HA2 -0.150 3.810 3.960 0.000 0.000 0.219 53 G HA3 -0.150 3.810 3.960 0.000 0.000 0.219 53 G C 0.653 175.552 174.900 -0.002 0.000 1.160 53 G CA 1.053 46.144 45.100 -0.015 0.000 0.767 53 G HN 0.628 nan 8.290 nan 0.000 0.571 54 T N 0.449 115.001 114.554 -0.003 0.000 2.881 54 T HA 0.574 4.924 4.350 0.000 0.000 0.291 54 T C -0.760 173.943 174.700 0.004 0.000 0.990 54 T CA -0.428 61.674 62.100 0.002 0.000 0.976 54 T CB 1.898 70.767 68.868 0.002 0.000 0.970 54 T HN 0.002 nan 8.240 nan 0.000 0.438 55 L N 3.677 124.904 121.223 0.008 0.000 2.318 55 L HA 0.503 4.843 4.340 0.000 0.000 0.277 55 L C -0.439 176.438 176.870 0.011 0.000 1.008 55 L CA -1.032 53.814 54.840 0.010 0.000 0.846 55 L CB 1.577 43.643 42.059 0.011 0.000 1.220 55 L HN 0.395 nan 8.230 nan 0.000 0.423 56 V N 5.506 125.427 119.914 0.011 0.000 2.339 56 V HA 0.224 4.344 4.120 0.000 0.000 0.261 56 V C 0.381 176.484 176.094 0.015 0.000 1.058 56 V CA -0.287 62.020 62.300 0.012 0.000 0.897 56 V CB 0.831 32.661 31.823 0.011 0.000 1.052 56 V HN 0.512 nan 8.190 nan 0.000 0.480 57 L N 4.985 126.219 121.223 0.018 0.000 2.268 57 L HA 0.656 4.996 4.340 0.000 0.000 0.289 57 L C 0.598 177.483 176.870 0.026 0.000 1.064 57 L CA -0.113 54.742 54.840 0.025 0.000 0.824 57 L CB 0.733 42.811 42.059 0.032 0.000 1.202 57 L HN 0.649 nan 8.230 nan 0.000 0.433 58 A N 3.566 126.400 122.820 0.024 0.000 2.260 58 A HA 0.621 4.941 4.320 0.000 0.000 0.314 58 A C -0.620 176.980 177.584 0.027 0.000 1.257 58 A CA -0.343 51.707 52.037 0.021 0.000 0.871 58 A CB 0.719 19.727 19.000 0.014 0.000 1.166 58 A HN 0.719 nan 8.150 nan 0.000 0.522 59 D N 2.035 122.451 120.400 0.026 0.000 2.726 59 D HA 0.046 4.686 4.640 0.000 0.000 0.203 59 D C -1.973 174.336 176.300 0.015 0.000 1.297 59 D CA -0.267 53.750 54.000 0.029 0.000 0.863 59 D CB 1.585 42.418 40.800 0.054 0.000 1.669 59 D HN 0.509 nan 8.370 nan 0.000 0.561 60 D N 3.615 124.023 120.400 0.013 0.000 2.557 60 D HA 0.255 4.895 4.640 0.000 0.000 0.236 60 D C -1.085 175.221 176.300 0.010 0.000 1.154 60 D CA 0.096 54.100 54.000 0.006 0.000 0.985 60 D CB 0.201 41.005 40.800 0.007 0.000 1.010 60 D HN 0.381 nan 8.370 nan 0.000 0.516 61 D N 1.383 121.779 120.400 -0.006 0.000 2.783 61 D HA 0.082 4.722 4.640 0.000 0.000 0.253 61 D C -1.483 174.750 176.300 -0.111 0.000 1.206 61 D CA -0.361 53.635 54.000 -0.007 0.000 0.740 61 D CB 1.765 42.598 40.800 0.055 0.000 1.313 61 D HN 0.113 nan 8.370 nan 0.000 0.427 62 D N 0.279 120.547 120.400 -0.220 0.000 2.326 62 D HA 0.309 4.949 4.640 0.000 0.000 0.251 62 D C 0.126 175.997 176.300 -0.715 0.000 1.023 62 D CA -0.513 53.244 54.000 -0.405 0.000 0.966 62 D CB 1.955 42.556 40.800 -0.331 0.000 1.156 62 D HN 0.022 nan 8.370 nan 0.000 0.494 63 V N 2.693 122.223 119.914 -0.641 0.000 2.421 63 V HA 0.004 4.124 4.120 0.000 0.000 0.271 63 V C 0.396 176.198 176.094 -0.486 0.000 1.031 63 V CA 0.173 62.105 62.300 -0.614 0.000 1.032 63 V CB -0.410 31.024 31.823 -0.648 0.000 1.009 63 V HN 0.360 nan 8.190 nan 0.000 0.477 64 H N 4.396 123.423 119.070 -0.072 0.000 2.483 64 H HA 0.236 4.792 4.556 0.000 0.000 0.338 64 H C 0.819 176.145 175.328 -0.005 0.000 1.152 64 H CA -0.859 55.170 56.048 -0.032 0.000 1.264 64 H CB 2.130 31.883 29.762 -0.016 0.000 1.510 64 H HN 0.520 nan 8.280 nan 0.000 0.530 65 L N 2.393 123.686 121.223 0.116 0.000 2.187 65 L HA -0.161 4.179 4.340 0.000 0.000 0.213 65 L C 1.814 178.732 176.870 0.080 0.000 1.100 65 L CA 1.648 56.533 54.840 0.074 0.000 0.765 65 L CB -0.537 41.553 42.059 0.051 0.000 0.904 65 L HN 0.613 nan 8.230 nan 0.000 0.437 66 S N -1.471 114.283 115.700 0.091 0.000 2.851 66 S HA 0.067 4.537 4.470 0.000 0.000 0.227 66 S C 1.110 175.762 174.600 0.087 0.000 0.958 66 S CA 0.245 58.486 58.200 0.067 0.000 0.990 66 S CB -0.736 62.489 63.200 0.042 0.000 0.790 66 S HN 0.555 nan 8.310 nan 0.000 0.509 67 N N 1.119 119.888 118.700 0.116 0.000 2.397 67 N HA 0.289 5.029 4.740 0.000 0.000 0.190 67 N C 1.065 176.650 175.510 0.125 0.000 1.099 67 N CA 0.168 53.304 53.050 0.143 0.000 0.876 67 N CB -0.264 38.353 38.487 0.216 0.000 1.143 67 N HN 0.358 nan 8.380 nan 0.000 0.468 68 L N 1.633 122.921 121.223 0.108 0.000 2.784 68 L HA -0.108 4.232 4.340 0.000 0.000 0.247 68 L C 1.191 178.092 176.870 0.051 0.000 1.162 68 L CA 0.790 55.682 54.840 0.086 0.000 0.881 68 L CB -0.393 41.710 42.059 0.073 0.000 1.032 68 L HN 0.267 nan 8.230 nan 0.000 0.446 69 Q N 0.009 119.834 119.800 0.042 0.000 2.246 69 Q HA 0.061 4.401 4.340 0.000 0.000 0.222 69 Q C 1.455 177.460 176.000 0.009 0.000 0.851 69 Q CA -0.159 55.656 55.803 0.020 0.000 0.945 69 Q CB 0.332 29.078 28.738 0.013 0.000 1.122 69 Q HN 0.481 nan 8.270 nan 0.000 0.508 70 R N -0.629 119.879 120.500 0.014 0.000 2.504 70 R HA 0.190 4.530 4.340 0.000 0.000 0.341 70 R C -0.449 175.840 176.300 -0.017 0.000 0.905 70 R CA -0.183 55.916 56.100 -0.002 0.000 1.133 70 R CB 0.243 30.541 30.300 -0.003 0.000 1.704 70 R HN 0.115 nan 8.270 nan 0.000 0.503 71 Q N 2.506 122.296 119.800 -0.017 0.000 2.730 71 Q HA 0.258 4.598 4.340 0.000 0.000 0.244 71 Q C 0.859 176.739 176.000 -0.201 0.000 1.176 71 Q CA -0.436 55.300 55.803 -0.112 0.000 1.024 71 Q CB 1.170 29.900 28.738 -0.014 0.000 1.215 71 Q HN 0.115 nan 8.270 nan 0.000 0.542 72 I N 0.089 120.560 120.570 -0.164 0.000 2.182 72 I HA -0.355 3.815 4.170 0.000 0.000 0.248 72 I C 1.953 177.956 176.117 -0.190 0.000 1.073 72 I CA 1.310 62.526 61.300 -0.140 0.000 1.335 72 I CB -1.031 36.903 38.000 -0.110 0.000 1.031 72 I HN 0.443 nan 8.210 nan 0.000 0.420 73 L N 0.032 121.038 121.223 -0.362 0.000 2.131 73 L HA -0.020 4.320 4.340 0.000 0.000 0.210 73 L C 1.141 177.913 176.870 -0.163 0.000 1.092 73 L CA 1.240 55.868 54.840 -0.354 0.000 0.759 73 L CB -0.662 41.073 42.059 -0.540 0.000 0.903 73 L HN 0.006 nan 8.230 nan 0.000 0.435 74 F N -1.099 118.840 119.950 -0.018 0.000 2.370 74 F HA 0.439 4.966 4.527 0.000 0.000 0.319 74 F C 1.077 176.867 175.800 -0.016 0.000 1.129 74 F CA -0.504 57.484 58.000 -0.020 0.000 1.109 74 F CB 0.843 39.830 39.000 -0.023 0.000 1.262 74 F HN -0.053 nan 8.300 nan 0.000 0.534 75 T N -3.677 110.998 114.554 0.203 0.000 2.716 75 T HA 0.265 4.615 4.350 0.000 0.000 0.286 75 T C 0.478 175.217 174.700 0.065 0.000 1.052 75 T CA -0.537 61.622 62.100 0.098 0.000 1.024 75 T CB 1.244 70.148 68.868 0.061 0.000 1.349 75 T HN 0.473 nan 8.240 nan 0.000 0.525 76 T N 0.936 115.513 114.554 0.039 0.000 2.737 76 T HA -0.030 4.320 4.350 0.000 0.000 0.265 76 T C 1.510 176.212 174.700 0.003 0.000 1.038 76 T CA 1.811 63.923 62.100 0.021 0.000 1.144 76 T CB -0.563 68.315 68.868 0.017 0.000 0.866 76 T HN 0.761 nan 8.240 nan 0.000 0.434 77 E N 1.458 121.659 120.200 0.003 0.000 2.455 77 E HA -0.086 4.264 4.350 0.000 0.000 0.202 77 E C 1.416 178.001 176.600 -0.026 0.000 1.045 77 E CA 0.682 57.077 56.400 -0.009 0.000 0.872 77 E CB -0.203 29.495 29.700 -0.004 0.000 0.792 77 E HN 0.450 nan 8.360 nan 0.000 0.542 78 D N -0.161 120.219 120.400 -0.033 0.000 2.350 78 D HA 0.058 4.698 4.640 0.000 0.000 0.213 78 D C 0.371 176.587 176.300 -0.140 0.000 1.031 78 D CA -0.003 53.947 54.000 -0.083 0.000 0.861 78 D CB 0.245 40.995 40.800 -0.083 0.000 0.926 78 D HN 0.232 nan 8.370 nan 0.000 0.520 79 I N 2.082 122.591 120.570 -0.100 0.000 2.752 79 I HA -0.157 4.013 4.170 0.000 0.000 0.289 79 I C 0.846 176.889 176.117 -0.122 0.000 1.197 79 I CA 0.719 61.949 61.300 -0.117 0.000 1.432 79 I CB 0.387 38.356 38.000 -0.053 0.000 1.359 79 I HN -0.058 nan 8.210 nan 0.000 0.571 80 D N 1.970 122.269 120.400 -0.169 0.000 2.139 80 D HA -0.156 4.484 4.640 0.000 0.000 0.166 80 D C 0.233 176.440 176.300 -0.154 0.000 1.145 80 D CA 1.028 54.945 54.000 -0.139 0.000 1.097 80 D CB -0.486 40.270 40.800 -0.073 0.000 1.164 80 D HN 0.670 nan 8.370 nan 0.000 0.513 81 R N 1.391 121.786 120.500 -0.176 0.000 2.500 81 R HA 0.592 4.932 4.340 0.000 0.000 0.275 81 R C -2.798 173.370 176.300 -0.220 0.000 1.051 81 R CA -1.635 54.369 56.100 -0.160 0.000 1.088 81 R CB -0.035 30.188 30.300 -0.129 0.000 1.063 81 R HN -0.109 nan 8.270 nan 0.000 0.511 82 P HA -0.034 nan 4.420 nan 0.000 0.261 82 P C -0.218 176.957 177.300 -0.209 0.000 1.183 82 P CA 0.169 63.171 63.100 -0.164 0.000 0.761 82 P CB 0.516 32.162 31.700 -0.091 0.000 0.785 83 K N 1.630 121.872 120.400 -0.264 0.000 2.063 83 K HA -0.170 4.150 4.320 0.000 0.000 0.208 83 K C 2.160 178.767 176.600 0.011 0.000 1.048 83 K CA 1.695 57.813 56.287 -0.282 0.000 0.928 83 K CB -0.514 31.916 32.500 -0.116 0.000 0.713 83 K HN 0.379 nan 8.250 nan 0.000 0.442 84 S N 1.643 117.346 115.700 0.007 0.000 2.369 84 S HA -0.262 4.209 4.470 0.000 0.000 0.225 84 S C 2.029 176.648 174.600 0.031 0.000 1.043 84 S CA 2.114 60.334 58.200 0.033 0.000 1.074 84 S CB -0.176 63.028 63.200 0.008 0.000 0.962 84 S HN 0.443 nan 8.310 nan 0.000 0.433 85 Q N -0.261 119.539 119.800 -0.001 0.000 2.331 85 Q HA 0.131 4.471 4.340 0.000 0.000 0.203 85 Q C 1.981 177.990 176.000 0.016 0.000 0.944 85 Q CA 0.971 56.776 55.803 0.003 0.000 0.892 85 Q CB -0.244 28.486 28.738 -0.014 0.000 0.983 85 Q HN 0.463 nan 8.270 nan 0.000 0.482 86 V N 0.866 120.787 119.914 0.011 0.000 2.548 86 V HA -0.194 3.926 4.120 0.000 0.000 0.249 86 V C 2.102 178.293 176.094 0.161 0.000 1.055 86 V CA 1.749 64.079 62.300 0.050 0.000 1.065 86 V CB -0.293 31.506 31.823 -0.040 0.000 0.681 86 V HN 0.343 nan 8.190 nan 0.000 0.462 87 S N -0.466 115.364 115.700 0.216 0.000 2.348 87 S HA -0.294 4.176 4.470 0.000 0.000 0.221 87 S C 2.008 176.655 174.600 0.079 0.000 1.033 87 S CA 1.835 60.141 58.200 0.176 0.000 1.010 87 S CB -0.354 62.941 63.200 0.159 0.000 0.891 87 S HN 0.671 nan 8.310 nan 0.000 0.442 88 Q N 0.896 120.732 119.800 0.060 0.000 2.112 88 Q HA -0.261 4.079 4.340 0.000 0.000 0.206 88 Q C 2.329 178.345 176.000 0.026 0.000 0.987 88 Q CA 1.744 57.566 55.803 0.033 0.000 0.858 88 Q CB -0.156 28.596 28.738 0.024 0.000 0.905 88 Q HN 0.646 nan 8.270 nan 0.000 0.420 89 Q N -0.573 119.246 119.800 0.031 0.000 1.990 89 Q HA -0.183 4.157 4.340 0.000 0.000 0.200 89 Q C 2.100 178.113 176.000 0.021 0.000 0.980 89 Q CA 1.025 56.841 55.803 0.022 0.000 0.832 89 Q CB 0.039 28.790 28.738 0.021 0.000 0.897 89 Q HN 0.262 nan 8.270 nan 0.000 0.427 90 R N 0.420 120.941 120.500 0.035 0.000 2.091 90 R HA -0.111 4.229 4.340 0.000 0.000 0.238 90 R C 2.398 178.697 176.300 -0.002 0.000 1.136 90 R CA 1.093 57.205 56.100 0.020 0.000 0.959 90 R CB -0.972 29.347 30.300 0.032 0.000 0.856 90 R HN 0.395 nan 8.270 nan 0.000 0.437 91 L N 0.357 121.580 121.223 -0.000 0.000 2.083 91 L HA -0.136 4.204 4.340 0.000 0.000 0.209 91 L C 2.286 179.152 176.870 -0.006 0.000 1.083 91 L CA 1.515 56.348 54.840 -0.012 0.000 0.752 91 L CB -0.760 41.296 42.059 -0.006 0.000 0.899 91 L HN 0.194 nan 8.230 nan 0.000 0.433 92 T N -1.034 113.521 114.554 0.000 0.000 2.833 92 T HA -0.217 4.133 4.350 0.000 0.000 0.269 92 T C 1.863 176.560 174.700 -0.006 0.000 1.054 92 T CA 1.153 63.252 62.100 -0.000 0.000 1.135 92 T CB -0.156 68.713 68.868 0.002 0.000 0.869 92 T HN 0.404 nan 8.240 nan 0.000 0.466 93 Q N 0.048 119.843 119.800 -0.008 0.000 2.167 93 Q HA 0.004 4.344 4.340 0.000 0.000 0.202 93 Q C 2.260 178.248 176.000 -0.020 0.000 0.970 93 Q CA 0.835 56.631 55.803 -0.013 0.000 0.855 93 Q CB -0.270 28.461 28.738 -0.011 0.000 0.911 93 Q HN 0.335 nan 8.270 nan 0.000 0.438 94 L N 0.519 121.728 121.223 -0.023 0.000 2.023 94 L HA -0.040 4.300 4.340 0.000 0.000 0.205 94 L C 0.465 177.320 176.870 -0.024 0.000 1.073 94 L CA 1.730 56.551 54.840 -0.031 0.000 0.745 94 L CB 0.068 42.102 42.059 -0.043 0.000 0.900 94 L HN 0.060 nan 8.230 nan 0.000 0.435 95 N N -1.060 117.634 118.700 -0.011 0.000 2.617 95 N HA 0.246 4.986 4.740 0.000 0.000 0.263 95 N C -2.263 173.249 175.510 0.002 0.000 1.074 95 N CA -1.229 51.821 53.050 0.000 0.000 0.841 95 N CB 1.470 39.977 38.487 0.034 0.000 1.221 95 N HN -0.025 nan 8.380 nan 0.000 0.529 96 P HA 0.034 nan 4.420 nan 0.000 0.233 96 P C -0.165 177.134 177.300 -0.001 0.000 1.167 96 P CA 0.697 63.793 63.100 -0.006 0.000 0.770 96 P CB 0.296 31.988 31.700 -0.015 0.000 0.837 97 D N -0.138 120.265 120.400 0.005 0.000 2.325 97 D HA 0.116 4.756 4.640 0.000 0.000 0.225 97 D C 0.952 177.274 176.300 0.037 0.000 1.096 97 D CA 0.300 54.310 54.000 0.016 0.000 0.844 97 D CB 0.182 40.989 40.800 0.012 0.000 0.925 97 D HN 0.335 nan 8.370 nan 0.000 0.513 98 I N -2.573 118.016 120.570 0.033 0.000 3.042 98 I HA 0.423 4.593 4.170 0.000 0.000 0.310 98 I C -0.424 175.704 176.117 0.018 0.000 1.117 98 I CA -1.503 59.816 61.300 0.032 0.000 1.003 98 I CB 1.902 39.927 38.000 0.041 0.000 1.228 98 I HN -0.439 nan 8.210 nan 0.000 0.443 99 Q N 3.411 123.219 119.800 0.014 0.000 2.307 99 Q HA 0.451 4.791 4.340 0.000 0.000 0.261 99 Q C -1.629 174.377 176.000 0.010 0.000 1.051 99 Q CA 0.344 56.153 55.803 0.009 0.000 0.911 99 Q CB 0.573 29.315 28.738 0.007 0.000 1.227 99 Q HN 0.700 nan 8.270 nan 0.000 0.418 100 L N 4.668 125.897 121.223 0.010 0.000 2.337 100 L HA 0.396 4.736 4.340 0.000 0.000 0.269 100 L C -0.455 176.421 176.870 0.011 0.000 1.018 100 L CA -0.538 54.309 54.840 0.011 0.000 0.876 100 L CB 1.434 43.500 42.059 0.011 0.000 1.236 100 L HN 0.567 nan 8.230 nan 0.000 0.436 101 T N 2.367 116.927 114.554 0.010 0.000 2.743 101 T HA 0.524 4.874 4.350 0.000 0.000 0.293 101 T C 0.263 174.970 174.700 0.013 0.000 0.945 101 T CA -0.326 61.780 62.100 0.010 0.000 1.030 101 T CB 1.345 70.218 68.868 0.008 0.000 0.912 101 T HN 0.565 nan 8.240 nan 0.000 0.483 102 A N 4.503 127.331 122.820 0.012 0.000 2.260 102 A HA 0.641 4.961 4.320 0.000 0.000 0.314 102 A C -0.138 177.453 177.584 0.011 0.000 1.257 102 A CA -0.666 51.379 52.037 0.015 0.000 0.871 102 A CB 0.248 19.257 19.000 0.015 0.000 1.166 102 A HN 0.875 nan 8.150 nan 0.000 0.522 103 L N 3.325 124.555 121.223 0.012 0.000 2.321 103 L HA 0.281 4.621 4.340 0.000 0.000 0.272 103 L C 0.721 177.596 176.870 0.008 0.000 1.050 103 L CA -0.127 54.719 54.840 0.009 0.000 0.893 103 L CB 1.024 43.089 42.059 0.009 0.000 1.272 103 L HN 0.907 nan 8.230 nan 0.000 0.435 104 Q N 5.242 125.044 119.800 0.003 0.000 2.815 104 Q HA 0.124 4.464 4.340 0.000 0.000 0.235 104 Q C -0.640 175.360 176.000 -0.001 0.000 1.354 104 Q CA 0.071 55.873 55.803 -0.002 0.000 0.953 104 Q CB 0.205 28.937 28.738 -0.009 0.000 1.613 104 Q HN 0.738 nan 8.270 nan 0.000 0.572 105 Q N 0.868 120.669 119.800 0.003 0.000 2.804 105 Q HA 0.360 4.700 4.340 0.000 0.000 0.302 105 Q C -1.496 174.507 176.000 0.005 0.000 0.885 105 Q CA -1.152 54.652 55.803 0.003 0.000 0.759 105 Q CB 0.816 29.555 28.738 0.002 0.000 1.465 105 Q HN 0.262 nan 8.270 nan 0.000 0.432 106 R N 1.244 121.746 120.500 0.004 0.000 2.215 106 R HA 0.422 4.762 4.340 0.000 0.000 0.337 106 R C -0.843 175.457 176.300 0.001 0.000 1.010 106 R CA -0.440 55.662 56.100 0.003 0.000 0.871 106 R CB 0.470 30.771 30.300 0.003 0.000 1.134 106 R HN 0.652 nan 8.270 nan 0.000 0.477 107 L N 4.613 125.836 121.223 0.000 0.000 2.513 107 L HA 0.110 4.450 4.340 0.000 0.000 0.272 107 L C -0.149 176.719 176.870 -0.004 0.000 1.187 107 L CA 0.823 55.662 54.840 -0.001 0.000 0.895 107 L CB 0.643 42.701 42.059 -0.002 0.000 1.147 107 L HN 0.800 nan 8.230 nan 0.000 0.483 108 T N 0.532 115.084 114.554 -0.003 0.000 2.739 108 T HA 0.520 4.870 4.350 0.000 0.000 0.303 108 T C 0.527 175.226 174.700 -0.003 0.000 1.389 108 T CA -0.197 61.900 62.100 -0.004 0.000 1.001 108 T CB 1.353 70.219 68.868 -0.004 0.000 1.436 108 T HN 0.844 nan 8.240 nan 0.000 0.500 109 G N 1.287 110.085 108.800 -0.003 0.000 2.672 109 G HA2 -0.347 3.613 3.960 0.000 0.000 0.356 109 G HA3 -0.347 3.613 3.960 0.000 0.000 0.356 109 G C 0.923 175.823 174.900 -0.000 0.000 1.312 109 G CA 1.257 46.356 45.100 -0.001 0.000 0.980 109 G HN 0.773 nan 8.290 nan 0.000 0.540 110 E N 0.712 120.912 120.200 0.001 0.000 2.106 110 E HA -0.014 4.336 4.350 0.000 0.000 0.192 110 E C 3.016 179.619 176.600 0.003 0.000 0.984 110 E CA 1.557 57.959 56.400 0.003 0.000 0.806 110 E CB -0.863 28.839 29.700 0.003 0.000 0.750 110 E HN 0.708 nan 8.360 nan 0.000 0.458 111 A N 1.709 124.531 122.820 0.003 0.000 1.873 111 A HA -0.217 4.103 4.320 0.000 0.000 0.218 111 A C 2.319 179.905 177.584 0.004 0.000 1.193 111 A CA 1.779 53.817 52.037 0.003 0.000 0.629 111 A CB -0.851 18.150 19.000 0.002 0.000 0.826 111 A HN 0.268 nan 8.150 nan 0.000 0.447 112 L N -0.214 121.010 121.223 0.002 0.000 1.989 112 L HA -0.174 4.166 4.340 0.000 0.000 0.211 112 L C 2.278 179.151 176.870 0.006 0.000 1.071 112 L CA 2.536 57.377 54.840 0.002 0.000 0.749 112 L CB -0.508 41.550 42.059 -0.002 0.000 0.890 112 L HN 0.360 nan 8.230 nan 0.000 0.431 113 K N -0.383 120.020 120.400 0.005 0.000 2.218 113 K HA -0.194 4.126 4.320 0.000 0.000 0.205 113 K C 1.655 178.262 176.600 0.012 0.000 1.046 113 K CA 1.514 57.807 56.287 0.009 0.000 0.933 113 K CB -0.291 32.214 32.500 0.007 0.000 0.728 113 K HN 0.535 nan 8.250 nan 0.000 0.454 114 D N 0.287 120.693 120.400 0.010 0.000 2.146 114 D HA -0.039 4.601 4.640 0.000 0.000 0.209 114 D C 1.963 178.271 176.300 0.013 0.000 0.973 114 D CA 1.122 55.129 54.000 0.011 0.000 0.860 114 D CB -0.209 40.596 40.800 0.009 0.000 1.015 114 D HN 0.111 nan 8.370 nan 0.000 0.465 115 A N 1.133 123.959 122.820 0.011 0.000 1.948 115 A HA -0.177 4.143 4.320 0.000 0.000 0.220 115 A C 2.550 180.143 177.584 0.016 0.000 1.177 115 A CA 1.436 53.480 52.037 0.012 0.000 0.636 115 A CB -0.889 18.117 19.000 0.010 0.000 0.815 115 A HN 0.143 nan 8.150 nan 0.000 0.449 116 V N -0.343 119.582 119.914 0.019 0.000 2.295 116 V HA -0.270 3.850 4.120 0.000 0.000 0.246 116 V C 3.062 179.175 176.094 0.032 0.000 1.049 116 V CA 2.058 64.374 62.300 0.027 0.000 1.024 116 V CB -1.193 30.648 31.823 0.029 0.000 0.648 116 V HN 0.644 nan 8.190 nan 0.000 0.447 117 A N -0.392 122.445 122.820 0.029 0.000 1.933 117 A HA -0.209 4.111 4.320 0.000 0.000 0.218 117 A C 2.329 179.927 177.584 0.023 0.000 1.175 117 A CA 1.586 53.641 52.037 0.029 0.000 0.628 117 A CB -0.485 18.530 19.000 0.025 0.000 0.814 117 A HN 0.501 nan 8.150 nan 0.000 0.444 118 R N -0.612 119.899 120.500 0.019 0.000 2.280 118 R HA 0.166 4.506 4.340 0.000 0.000 0.207 118 R C 0.682 176.991 176.300 0.014 0.000 1.043 118 R CA 0.483 56.592 56.100 0.014 0.000 1.006 118 R CB -0.242 30.064 30.300 0.012 0.000 0.885 118 R HN 0.485 nan 8.270 nan 0.000 0.467 119 A N 0.630 123.461 122.820 0.018 0.000 2.303 119 A HA 0.188 4.508 4.320 0.000 0.000 0.317 119 A C 0.066 177.661 177.584 0.018 0.000 1.149 119 A CA -0.711 51.336 52.037 0.017 0.000 0.822 119 A CB 0.894 19.906 19.000 0.020 0.000 1.131 119 A HN -0.007 nan 8.150 nan 0.000 0.493 120 D N 0.111 120.518 120.400 0.011 0.000 2.162 120 D HA 0.081 4.721 4.640 0.000 0.000 0.205 120 D C 0.040 176.346 176.300 0.010 0.000 0.964 120 D CA 1.571 55.575 54.000 0.007 0.000 0.847 120 D CB 0.329 41.127 40.800 -0.003 0.000 0.988 120 D HN 0.238 nan 8.370 nan 0.000 0.480 121 V N 1.293 121.214 119.914 0.013 0.000 2.760 121 V HA 0.278 4.398 4.120 0.000 0.000 0.309 121 V C -0.272 175.836 176.094 0.024 0.000 1.077 121 V CA -0.824 61.486 62.300 0.018 0.000 0.910 121 V CB 2.867 34.694 31.823 0.007 0.000 1.008 121 V HN -0.252 nan 8.190 nan 0.000 0.424 122 V N 5.483 125.418 119.914 0.036 0.000 2.398 122 V HA 0.487 4.607 4.120 0.000 0.000 0.286 122 V C -0.251 175.859 176.094 0.026 0.000 1.026 122 V CA -0.536 61.782 62.300 0.031 0.000 0.868 122 V CB 1.736 33.583 31.823 0.040 0.000 0.982 122 V HN 0.600 nan 8.190 nan 0.000 0.443 123 L N 4.074 125.307 121.223 0.017 0.000 2.280 123 L HA 0.470 4.810 4.340 0.000 0.000 0.287 123 L C -0.304 176.567 176.870 0.000 0.000 1.023 123 L CA -0.357 54.490 54.840 0.012 0.000 0.819 123 L CB 1.678 43.745 42.059 0.015 0.000 1.212 123 L HN 0.644 nan 8.230 nan 0.000 0.420 124 D N 3.127 123.519 120.400 -0.013 0.000 2.339 124 D HA 0.146 4.786 4.640 0.000 0.000 0.241 124 D C -0.225 176.058 176.300 -0.028 0.000 1.183 124 D CA -0.238 53.739 54.000 -0.038 0.000 0.859 124 D CB 1.148 41.897 40.800 -0.085 0.000 1.067 124 D HN 0.498 nan 8.370 nan 0.000 0.484 125 C N 3.120 122.409 119.300 -0.018 0.000 3.101 125 C HA 0.173 4.633 4.460 0.000 0.000 0.253 125 C C 0.720 175.706 174.990 -0.007 0.000 1.754 125 C CA -0.458 58.556 59.018 -0.006 0.000 1.756 125 C CB -0.973 26.771 27.740 0.007 0.000 3.227 125 C HN 0.702 nan 8.230 nan 0.000 0.483 126 T N -2.037 112.502 114.554 -0.025 0.000 3.281 126 T HA 0.195 4.545 4.350 0.000 0.000 0.359 126 T C -0.371 174.306 174.700 -0.037 0.000 1.459 126 T CA -0.071 62.014 62.100 -0.025 0.000 1.114 126 T CB -0.147 68.701 68.868 -0.034 0.000 1.162 126 T HN 0.263 nan 8.240 nan 0.000 0.665 127 D N 3.984 124.371 120.400 -0.022 0.000 2.433 127 D HA 0.046 4.686 4.640 0.000 0.000 0.274 127 D C 0.201 176.478 176.300 -0.037 0.000 1.344 127 D CA 1.099 55.082 54.000 -0.029 0.000 0.989 127 D CB -0.073 40.720 40.800 -0.010 0.000 1.116 127 D HN 0.815 nan 8.370 nan 0.000 0.533 128 N N 3.112 121.776 118.700 -0.061 0.000 4.849 128 N HA -0.100 4.640 4.740 0.000 0.000 0.165 128 N C 0.238 175.695 175.510 -0.089 0.000 1.128 128 N CA -0.419 52.593 53.050 -0.063 0.000 1.014 128 N CB 0.033 38.493 38.487 -0.044 0.000 1.597 128 N HN 0.024 nan 8.380 nan 0.000 0.955 129 M N 3.858 123.395 119.600 -0.104 0.000 2.108 129 M HA -0.009 4.471 4.480 0.000 0.000 0.257 129 M C 1.672 177.930 176.300 -0.071 0.000 1.071 129 M CA 2.779 58.007 55.300 -0.119 0.000 1.093 129 M CB -0.650 31.841 32.600 -0.181 0.000 1.345 129 M HN 0.686 nan 8.290 nan 0.000 0.403 130 A N -1.412 121.376 122.820 -0.054 0.000 1.877 130 A HA -0.158 4.162 4.320 0.000 0.000 0.216 130 A C 2.218 179.782 177.584 -0.034 0.000 1.186 130 A CA 2.356 54.376 52.037 -0.029 0.000 0.620 130 A CB -1.407 17.580 19.000 -0.022 0.000 0.822 130 A HN 0.589 nan 8.150 nan 0.000 0.443 131 T N -0.139 114.385 114.554 -0.050 0.000 2.708 131 T HA -0.151 4.199 4.350 0.000 0.000 0.266 131 T C 2.033 176.682 174.700 -0.086 0.000 1.037 131 T CA 1.505 63.571 62.100 -0.056 0.000 1.146 131 T CB -0.291 68.544 68.868 -0.054 0.000 0.865 131 T HN 0.516 nan 8.240 nan 0.000 0.435 132 R N 0.946 121.359 120.500 -0.145 0.000 2.113 132 R HA -0.139 4.201 4.340 0.000 0.000 0.244 132 R C 2.720 178.910 176.300 -0.183 0.000 1.142 132 R CA 1.330 57.268 56.100 -0.270 0.000 0.953 132 R CB -0.359 29.613 30.300 -0.548 0.000 0.860 132 R HN 0.392 nan 8.270 nan 0.000 0.438 133 Q N 0.489 120.261 119.800 -0.047 0.000 2.135 133 Q HA -0.216 4.124 4.340 0.000 0.000 0.204 133 Q C 1.944 177.948 176.000 0.006 0.000 0.981 133 Q CA 1.535 57.375 55.803 0.060 0.000 0.856 133 Q CB -0.158 28.631 28.738 0.085 0.000 0.902 133 Q HN 0.536 nan 8.270 nan 0.000 0.425 134 E N 0.231 120.419 120.200 -0.020 0.000 2.046 134 E HA -0.101 4.249 4.350 0.000 0.000 0.190 134 E C 2.115 178.695 176.600 -0.033 0.000 0.982 134 E CA 0.438 56.825 56.400 -0.022 0.000 0.800 134 E CB -0.009 29.679 29.700 -0.020 0.000 0.756 134 E HN 0.296 nan 8.360 nan 0.000 0.449 135 I N 1.480 122.019 120.570 -0.050 0.000 2.208 135 I HA -0.294 3.876 4.170 0.000 0.000 0.245 135 I C 2.483 178.571 176.117 -0.048 0.000 1.097 135 I CA 1.358 62.628 61.300 -0.049 0.000 1.363 135 I CB -0.549 37.409 38.000 -0.070 0.000 1.051 135 I HN 0.232 nan 8.210 nan 0.000 0.413 136 N N 1.396 120.057 118.700 -0.066 0.000 2.025 136 N HA -0.207 4.533 4.740 0.000 0.000 0.194 136 N C 1.904 177.358 175.510 -0.093 0.000 1.044 136 N CA 2.108 55.120 53.050 -0.063 0.000 0.851 136 N CB -0.231 38.257 38.487 0.001 0.000 1.036 136 N HN 0.302 nan 8.380 nan 0.000 0.422 137 A N 0.280 123.060 122.820 -0.066 0.000 1.917 137 A HA -0.091 4.229 4.320 0.000 0.000 0.219 137 A C 2.383 179.926 177.584 -0.069 0.000 1.182 137 A CA 2.333 54.324 52.037 -0.077 0.000 0.633 137 A CB -1.491 17.485 19.000 -0.041 0.000 0.819 137 A HN 0.548 nan 8.150 nan 0.000 0.448 138 A N -0.958 121.839 122.820 -0.039 0.000 1.845 138 A HA -0.195 4.125 4.320 0.000 0.000 0.215 138 A C 2.357 179.943 177.584 0.002 0.000 1.195 138 A CA 1.713 53.741 52.037 -0.014 0.000 0.616 138 A CB -1.457 17.541 19.000 -0.004 0.000 0.832 138 A HN 0.628 nan 8.150 nan 0.000 0.443 139 C N -1.067 118.239 119.300 0.010 0.000 2.398 139 C HA -0.114 4.346 4.460 0.000 0.000 0.276 139 C C 2.797 177.852 174.990 0.109 0.000 1.222 139 C CA 1.280 60.348 59.018 0.084 0.000 1.746 139 C CB -1.368 26.440 27.740 0.112 0.000 2.039 139 C HN 0.471 nan 8.230 nan 0.000 0.470 140 V N 1.293 121.110 119.914 -0.162 0.000 2.295 140 V HA -0.205 3.915 4.120 0.000 0.000 0.246 140 V C 2.715 178.767 176.094 -0.071 0.000 1.049 140 V CA 2.250 64.287 62.300 -0.438 0.000 1.024 140 V CB -1.393 29.983 31.823 -0.744 0.000 0.648 140 V HN 0.603 nan 8.190 nan 0.000 0.447 141 A N -0.310 122.477 122.820 -0.055 0.000 1.940 141 A HA -0.108 4.212 4.320 0.000 0.000 0.219 141 A C 2.033 179.659 177.584 0.069 0.000 1.176 141 A CA 1.653 53.694 52.037 0.007 0.000 0.631 141 A CB -0.495 18.500 19.000 -0.008 0.000 0.814 141 A HN 0.542 nan 8.150 nan 0.000 0.446 142 L N -0.658 120.619 121.223 0.090 0.000 2.628 142 L HA 0.094 4.434 4.340 0.000 0.000 0.229 142 L C -0.219 176.743 176.870 0.155 0.000 1.137 142 L CA -0.275 54.626 54.840 0.102 0.000 0.909 142 L CB -0.477 41.627 42.059 0.075 0.000 1.137 142 L HN 0.365 nan 8.230 nan 0.000 0.470 143 N N 1.335 120.196 118.700 0.268 0.000 2.688 143 N HA -0.140 4.600 4.740 0.000 0.000 0.258 143 N C -0.355 175.276 175.510 0.201 0.000 1.016 143 N CA 1.042 54.283 53.050 0.319 0.000 0.747 143 N CB -1.065 37.528 38.487 0.175 0.000 0.895 143 N HN 0.233 nan 8.380 nan 0.000 0.543 144 T N 0.829 115.547 114.554 0.274 0.000 2.809 144 T HA 0.372 4.722 4.350 0.000 0.000 0.284 144 T C -2.438 172.381 174.700 0.198 0.000 0.992 144 T CA -1.166 61.030 62.100 0.160 0.000 0.957 144 T CB 2.495 71.436 68.868 0.121 0.000 0.942 144 T HN -0.122 nan 8.240 nan 0.000 0.439 145 P HA 0.113 nan 4.420 nan 0.000 0.263 145 P C -1.010 176.366 177.300 0.127 0.000 1.175 145 P CA -0.363 62.771 63.100 0.056 0.000 0.761 145 P CB 0.361 32.052 31.700 -0.014 0.000 0.794 146 L N 5.206 126.537 121.223 0.181 0.000 2.385 146 L HA 0.559 4.899 4.340 0.000 0.000 0.273 146 L C -1.176 175.759 176.870 0.108 0.000 0.990 146 L CA -0.273 54.653 54.840 0.143 0.000 0.821 146 L CB 1.320 43.484 42.059 0.176 0.000 1.279 146 L HN 0.240 nan 8.230 nan 0.000 0.412 147 I N 4.879 125.487 120.570 0.063 0.000 2.502 147 I HA 0.290 4.460 4.170 0.000 0.000 0.276 147 I C -0.258 175.879 176.117 0.033 0.000 1.057 147 I CA -0.336 60.996 61.300 0.053 0.000 1.163 147 I CB 1.404 39.425 38.000 0.036 0.000 1.288 147 I HN 0.659 nan 8.210 nan 0.000 0.479 148 T N 2.728 117.301 114.554 0.033 0.000 2.918 148 T HA 0.852 5.202 4.350 0.000 0.000 0.283 148 T C -0.054 174.668 174.700 0.037 0.000 1.001 148 T CA -0.798 61.297 62.100 -0.008 0.000 1.041 148 T CB 2.313 71.132 68.868 -0.081 0.000 1.028 148 T HN 0.630 nan 8.240 nan 0.000 0.511 149 A N 1.102 123.936 122.820 0.023 0.000 2.555 149 A HA 0.675 4.995 4.320 0.000 0.000 0.297 149 A C -0.441 177.171 177.584 0.046 0.000 1.060 149 A CA -0.934 51.139 52.037 0.060 0.000 0.710 149 A CB 1.227 20.265 19.000 0.063 0.000 1.282 149 A HN 0.779 nan 8.150 nan 0.000 0.399 150 S N -0.162 115.580 115.700 0.070 0.000 2.751 150 S HA 1.003 5.473 4.470 0.000 0.000 0.310 150 S C -0.281 174.355 174.600 0.060 0.000 1.128 150 S CA -0.201 58.030 58.200 0.052 0.000 0.931 150 S CB 1.929 65.163 63.200 0.058 0.000 1.177 150 S HN 2.340 nan 8.310 nan 0.000 0.530 151 A N 0.658 123.503 122.820 0.043 0.000 2.549 151 A HA 0.570 4.890 4.320 0.000 0.000 0.306 151 A C -1.307 176.289 177.584 0.021 0.000 1.053 151 A CA -0.716 51.345 52.037 0.039 0.000 0.892 151 A CB 0.360 19.384 19.000 0.040 0.000 1.329 151 A HN 1.505 nan 8.150 nan 0.000 0.388 152 V N 0.768 120.695 119.914 0.021 0.000 2.623 152 V HA 0.935 5.055 4.120 0.000 0.000 0.304 152 V C 0.866 176.976 176.094 0.027 0.000 1.054 152 V CA 0.271 62.583 62.300 0.019 0.000 0.882 152 V CB 0.590 32.429 31.823 0.026 0.000 1.002 152 V HN 2.882 nan 8.190 nan 0.000 0.424 153 G N 3.749 112.563 108.800 0.024 0.000 2.646 153 G HA2 -0.342 3.618 3.960 0.000 0.000 0.324 153 G HA3 -0.342 3.618 3.960 0.000 0.000 0.324 153 G C 0.063 174.978 174.900 0.024 0.000 1.195 153 G CA 1.357 46.503 45.100 0.076 0.000 0.976 153 G HN 1.137 nan 8.290 nan 0.000 0.546 154 F N 3.372 123.270 119.950 -0.087 0.000 2.682 154 F HA 0.507 5.034 4.527 0.000 0.000 0.308 154 F C 1.589 177.250 175.800 -0.232 0.000 1.093 154 F CA 0.325 58.237 58.000 -0.147 0.000 1.244 154 F CB 0.921 39.815 39.000 -0.176 0.000 1.052 154 F HN 0.600 nan 8.300 nan 0.000 0.573 155 G N -0.397 108.403 108.800 -0.000 0.000 2.417 155 G HA2 0.588 4.548 3.960 0.000 0.000 0.334 155 G HA3 0.588 4.548 3.960 0.000 0.000 0.334 155 G C -0.587 174.311 174.900 -0.004 0.000 1.150 155 G CA -0.587 44.471 45.100 -0.070 0.000 0.923 155 G HN 0.237 nan 8.290 nan 0.000 0.485 156 G N -0.592 108.223 108.800 0.025 0.000 2.690 156 G HA2 0.655 4.615 3.960 0.000 0.000 0.291 156 G HA3 0.655 4.615 3.960 0.000 0.000 0.291 156 G C -1.105 173.869 174.900 0.123 0.000 1.403 156 G CA -0.570 44.589 45.100 0.098 0.000 0.864 156 G HN 0.641 nan 8.290 nan 0.000 0.480 157 Q N -1.166 118.719 119.800 0.142 0.000 2.587 157 Q HA 0.788 5.128 4.340 0.000 0.000 0.293 157 Q C -1.670 174.438 176.000 0.181 0.000 1.083 157 Q CA -0.995 54.912 55.803 0.173 0.000 0.792 157 Q CB 3.219 32.056 28.738 0.165 0.000 1.484 157 Q HN 0.668 nan 8.270 nan 0.000 0.446 158 L N 0.923 122.261 121.223 0.192 0.000 2.781 158 L HA 0.569 4.910 4.340 0.000 0.000 0.256 158 L C -2.189 174.776 176.870 0.158 0.000 0.930 158 L CA -0.314 54.624 54.840 0.163 0.000 0.967 158 L CB 1.911 44.067 42.059 0.161 0.000 1.551 158 L HN 0.823 nan 8.230 nan 0.000 0.445 159 M N 3.831 123.516 119.600 0.142 0.000 2.413 159 M HA 0.802 5.282 4.480 0.000 0.000 0.287 159 M C -1.854 174.519 176.300 0.122 0.000 1.186 159 M CA -0.808 54.576 55.300 0.140 0.000 0.927 159 M CB 2.250 34.958 32.600 0.180 0.000 1.715 159 M HN 0.280 nan 8.290 nan 0.000 0.478 160 V N 4.210 124.185 119.914 0.102 0.000 2.370 160 V HA 0.550 4.670 4.120 0.000 0.000 0.283 160 V C -0.517 175.647 176.094 0.117 0.000 1.023 160 V CA -0.476 61.876 62.300 0.087 0.000 0.857 160 V CB 1.506 33.354 31.823 0.041 0.000 0.985 160 V HN 0.774 nan 8.190 nan 0.000 0.443 161 L N 5.500 126.824 121.223 0.168 0.000 2.325 161 L HA 0.745 5.085 4.340 0.000 0.000 0.281 161 L C 0.147 177.089 176.870 0.120 0.000 1.004 161 L CA -0.278 54.730 54.840 0.280 0.000 0.823 161 L CB 2.155 44.518 42.059 0.506 0.000 1.236 161 L HN 0.773 nan 8.230 nan 0.000 0.415 162 T N -0.853 113.557 114.554 -0.241 0.000 2.907 162 T HA 0.475 4.825 4.350 0.000 0.000 0.292 162 T C -2.214 171.627 174.700 -1.431 0.000 1.043 162 T CA -2.088 59.617 62.100 -0.660 0.000 1.003 162 T CB 2.272 70.944 68.868 -0.327 0.000 1.084 162 T HN 0.191 nan 8.240 nan 0.000 0.483 163 P HA -0.234 nan 4.420 nan 0.000 0.236 163 P C -1.610 175.028 177.300 -1.103 0.000 1.128 163 P CA 2.230 64.647 63.100 -1.138 0.000 0.971 163 P CB -1.071 30.357 31.700 -0.454 0.000 0.766 164 P HA -0.060 nan 4.420 nan 0.000 0.225 164 P C -0.351 176.854 177.300 -0.158 0.000 1.156 164 P CA 0.759 63.673 63.100 -0.309 0.000 0.787 164 P CB -0.437 31.161 31.700 -0.169 0.000 0.802 165 W N -0.668 120.644 121.300 0.021 0.000 4.849 165 W HA -0.197 4.463 4.660 0.000 0.000 0.358 165 W C 1.055 177.587 176.519 0.023 0.000 1.331 165 W CA -0.002 57.358 57.345 0.027 0.000 0.844 165 W CB -2.920 26.557 29.460 0.029 0.000 2.434 165 W HN 0.118 nan 8.180 nan 0.000 1.458 166 E N 0.121 120.389 120.200 0.114 0.000 2.114 166 E HA -0.260 4.090 4.350 0.000 0.000 0.199 166 E C 1.911 178.572 176.600 0.102 0.000 1.008 166 E CA 1.692 58.142 56.400 0.084 0.000 0.810 166 E CB 0.014 29.733 29.700 0.031 0.000 0.739 166 E HN 0.364 nan 8.360 nan 0.000 0.456 167 Q N -0.314 119.557 119.800 0.118 0.000 2.860 167 Q HA 0.227 4.567 4.340 0.000 0.000 0.207 167 Q C 1.009 177.096 176.000 0.146 0.000 1.139 167 Q CA 0.271 56.141 55.803 0.111 0.000 0.661 167 Q CB -0.875 27.926 28.738 0.106 0.000 4.670 167 Q HN 0.152 nan 8.270 nan 0.000 0.380 168 G N -0.550 108.332 108.800 0.137 0.000 2.582 168 G HA2 0.428 4.388 3.960 0.000 0.000 0.232 168 G HA3 0.428 4.388 3.960 0.000 0.000 0.232 168 G C -0.194 174.814 174.900 0.181 0.000 1.458 168 G CA 0.249 45.424 45.100 0.126 0.000 1.062 168 G HN 0.765 nan 8.290 nan 0.000 0.566 169 C N -4.306 115.055 119.300 0.102 0.000 3.318 169 C HA 0.625 5.085 4.460 0.000 0.000 0.329 169 C C 1.173 176.241 174.990 0.130 0.000 1.449 169 C CA -0.865 58.185 59.018 0.054 0.000 1.397 169 C CB 0.235 27.875 27.740 -0.166 0.000 1.810 169 C HN 0.696 nan 8.230 nan 0.000 0.449 170 Y N 1.139 121.447 120.300 0.013 0.000 2.274 170 Y HA 0.092 4.642 4.550 0.000 0.000 0.290 170 Y C 2.682 178.652 175.900 0.117 0.000 1.145 170 Y CA 1.964 60.113 58.100 0.081 0.000 1.203 170 Y CB -0.108 38.381 38.460 0.049 0.000 0.984 170 Y HN 0.627 nan 8.280 nan 0.000 0.533 171 R N -1.794 118.769 120.500 0.106 0.000 2.276 171 R HA -0.088 4.252 4.340 0.000 0.000 0.203 171 R C 2.042 178.344 176.300 0.004 0.000 1.017 171 R CA 0.892 57.026 56.100 0.056 0.000 1.010 171 R CB -0.653 29.673 30.300 0.042 0.000 0.900 171 R HN 0.372 nan 8.270 nan 0.000 0.469 172 C N 0.214 119.508 119.300 -0.010 0.000 2.475 172 C HA 0.005 4.465 4.460 0.000 0.000 0.279 172 C C 2.410 177.354 174.990 -0.075 0.000 1.322 172 C CA 0.042 59.043 59.018 -0.028 0.000 1.734 172 C CB -0.621 27.118 27.740 -0.001 0.000 2.005 172 C HN 0.381 nan 8.230 nan 0.000 0.495 173 L N -1.614 119.556 121.223 -0.088 0.000 2.240 173 L HA 0.161 4.501 4.340 0.000 0.000 0.211 173 L C -0.231 176.421 176.870 -0.363 0.000 1.106 173 L CA 1.379 56.112 54.840 -0.178 0.000 0.793 173 L CB -0.133 41.872 42.059 -0.090 0.000 0.927 173 L HN 0.432 nan 8.230 nan 0.000 0.446 174 W N -1.021 120.104 121.300 -0.292 0.000 2.687 174 W HA 0.377 5.037 4.660 0.000 0.000 0.328 174 W C -1.937 174.506 176.519 -0.128 0.000 1.012 174 W CA -1.068 56.136 57.345 -0.234 0.000 1.262 174 W CB 1.280 30.527 29.460 -0.354 0.000 1.331 174 W HN -0.215 nan 8.180 nan 0.000 0.433 175 P HA -0.060 nan 4.420 nan 0.000 0.226 175 P C -0.003 177.367 177.300 0.116 0.000 1.161 175 P CA 1.144 64.281 63.100 0.062 0.000 0.804 175 P CB 0.625 32.322 31.700 -0.004 0.000 0.829 176 D N -0.421 120.097 120.400 0.198 0.000 2.192 176 D HA 0.112 4.752 4.640 0.000 0.000 0.246 176 D C -0.065 176.379 176.300 0.240 0.000 1.042 176 D CA -0.542 53.575 54.000 0.196 0.000 0.847 176 D CB 0.848 41.756 40.800 0.180 0.000 1.186 176 D HN -0.172 nan 8.370 nan 0.000 0.461 188 G N -0.742 108.069 108.800 0.018 0.000 2.525 188 G HA2 0.633 4.593 3.960 0.000 0.000 0.287 188 G HA3 0.633 4.593 3.960 0.000 0.000 0.287 188 G C -0.560 174.339 174.900 -0.001 0.000 1.350 188 G CA -0.272 44.835 45.100 0.011 0.000 1.039 188 G HN 0.984 nan 8.290 nan 0.000 0.513 189 V N -0.725 119.172 119.914 -0.028 0.000 2.823 189 V HA 0.227 4.347 4.120 0.000 0.000 0.296 189 V C -0.237 175.780 176.094 -0.128 0.000 1.250 189 V CA -0.757 61.505 62.300 -0.063 0.000 0.939 189 V CB 1.528 33.329 31.823 -0.036 0.000 1.062 189 V HN 0.631 nan 8.190 nan 0.000 0.433 190 V N 3.358 123.121 119.914 -0.253 0.000 2.686 190 V HA 0.376 4.496 4.120 0.000 0.000 0.295 190 V C 1.663 177.648 176.094 -0.182 0.000 1.055 190 V CA 1.038 63.131 62.300 -0.344 0.000 1.050 190 V CB 1.204 32.590 31.823 -0.728 0.000 0.984 190 V HN 1.063 nan 8.190 nan 0.000 0.482 191 G N 4.756 113.481 108.800 -0.126 0.000 2.484 191 G HA2 -0.119 3.841 3.960 0.000 0.000 0.215 191 G HA3 -0.119 3.841 3.960 0.000 0.000 0.215 191 G C -0.487 174.389 174.900 -0.041 0.000 1.219 191 G CA 0.937 46.000 45.100 -0.061 0.000 0.791 191 G HN 0.716 nan 8.290 nan 0.000 0.550 192 P HA -0.014 nan 4.420 nan 0.000 0.221 192 P C 1.880 179.208 177.300 0.046 0.000 1.145 192 P CA 0.484 63.590 63.100 0.010 0.000 0.795 192 P CB 0.046 31.758 31.700 0.019 0.000 0.775 193 V N -0.796 119.124 119.914 0.009 0.000 2.488 193 V HA -0.150 3.970 4.120 0.000 0.000 0.246 193 V C 2.317 178.462 176.094 0.085 0.000 1.046 193 V CA 1.614 63.969 62.300 0.092 0.000 1.053 193 V CB -0.903 30.917 31.823 -0.005 0.000 0.679 193 V HN 0.004 nan 8.190 nan 0.000 0.458 194 V N 0.402 120.334 119.914 0.031 0.000 2.453 194 V HA -0.002 4.118 4.120 0.000 0.000 0.247 194 V C 2.592 178.713 176.094 0.045 0.000 1.048 194 V CA 1.718 64.040 62.300 0.037 0.000 1.049 194 V CB -1.758 30.075 31.823 0.016 0.000 0.672 194 V HN 0.476 nan 8.190 nan 0.000 0.457 195 G N 0.812 109.636 108.800 0.039 0.000 2.545 195 G HA2 -0.241 3.719 3.960 0.000 0.000 0.217 195 G HA3 -0.241 3.719 3.960 0.000 0.000 0.217 195 G C 1.662 176.590 174.900 0.048 0.000 1.218 195 G CA 1.484 46.611 45.100 0.046 0.000 0.787 195 G HN 0.342 nan 8.290 nan 0.000 0.571 196 V N 0.450 120.395 119.914 0.051 0.000 2.370 196 V HA -0.272 3.848 4.120 0.000 0.000 0.252 196 V C 2.885 179.006 176.094 0.045 0.000 1.068 196 V CA 2.369 64.686 62.300 0.029 0.000 1.061 196 V CB -0.400 31.430 31.823 0.012 0.000 0.656 196 V HN 0.311 nan 8.190 nan 0.000 0.455 197 M N 0.372 120.021 119.600 0.080 0.000 2.132 197 M HA 0.007 4.487 4.480 0.000 0.000 0.263 197 M C 2.054 178.390 176.300 0.060 0.000 1.065 197 M CA 1.914 57.272 55.300 0.097 0.000 1.122 197 M CB -1.322 31.344 32.600 0.109 0.000 1.365 197 M HN 0.335 nan 8.290 nan 0.000 0.411 198 G N -1.807 107.021 108.800 0.048 0.000 2.394 198 G HA2 -0.162 3.798 3.960 0.000 0.000 0.214 198 G HA3 -0.162 3.798 3.960 0.000 0.000 0.214 198 G C 1.485 176.404 174.900 0.033 0.000 1.176 198 G CA 1.296 46.421 45.100 0.042 0.000 0.786 198 G HN 0.430 nan 8.290 nan 0.000 0.533 199 T N 1.468 116.033 114.554 0.018 0.000 2.759 199 T HA -0.073 4.277 4.350 0.000 0.000 0.269 199 T C 2.360 176.990 174.700 -0.118 0.000 1.042 199 T CA 0.870 62.926 62.100 -0.074 0.000 1.140 199 T CB -0.196 68.566 68.868 -0.176 0.000 0.864 199 T HN 0.116 nan 8.240 nan 0.000 0.455 200 L N 0.488 121.669 121.223 -0.070 0.000 2.201 200 L HA -0.075 4.265 4.340 0.000 0.000 0.212 200 L C 2.846 179.692 176.870 -0.040 0.000 1.105 200 L CA 1.116 55.913 54.840 -0.072 0.000 0.775 200 L CB -0.418 41.618 42.059 -0.038 0.000 0.913 200 L HN 0.319 nan 8.230 nan 0.000 0.440 201 Q N -0.669 119.127 119.800 -0.007 0.000 2.167 201 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 201 Q C 2.380 178.380 176.000 0.001 0.000 0.970 201 Q CA 1.304 57.111 55.803 0.008 0.000 0.855 201 Q CB -0.064 28.688 28.738 0.023 0.000 0.911 201 Q HN 0.572 nan 8.270 nan 0.000 0.438 202 A N 0.911 123.731 122.820 -0.001 0.000 1.855 202 A HA -0.176 4.144 4.320 0.000 0.000 0.215 202 A C 2.008 179.580 177.584 -0.020 0.000 1.191 202 A CA 1.091 53.136 52.037 0.013 0.000 0.613 202 A CB -0.744 18.291 19.000 0.057 0.000 0.829 202 A HN 0.368 nan 8.150 nan 0.000 0.442 203 L N 0.007 121.192 121.223 -0.064 0.000 2.051 203 L HA -0.210 4.130 4.340 0.000 0.000 0.214 203 L C 2.097 178.934 176.870 -0.054 0.000 1.076 203 L CA 2.520 57.314 54.840 -0.076 0.000 0.758 203 L CB -0.696 41.294 42.059 -0.116 0.000 0.890 203 L HN 0.384 nan 8.230 nan 0.000 0.433 204 E N -0.117 120.057 120.200 -0.044 0.000 2.106 204 E HA -0.119 4.231 4.350 0.000 0.000 0.192 204 E C 2.224 178.810 176.600 -0.023 0.000 0.984 204 E CA 1.263 57.643 56.400 -0.033 0.000 0.806 204 E CB -0.523 29.166 29.700 -0.020 0.000 0.750 204 E HN 0.652 nan 8.360 nan 0.000 0.458 205 A N 1.220 124.032 122.820 -0.015 0.000 1.873 205 A HA -0.124 4.196 4.320 0.000 0.000 0.215 205 A C 2.366 179.939 177.584 -0.018 0.000 1.186 205 A CA 1.045 53.076 52.037 -0.010 0.000 0.616 205 A CB -0.687 18.313 19.000 0.000 0.000 0.823 205 A HN 0.161 nan 8.150 nan 0.000 0.442 206 I N -0.232 120.327 120.570 -0.018 0.000 2.118 206 I HA -0.341 3.829 4.170 0.000 0.000 0.241 206 I C 2.521 178.620 176.117 -0.031 0.000 1.070 206 I CA 1.918 63.204 61.300 -0.024 0.000 1.327 206 I CB -0.323 37.664 38.000 -0.021 0.000 1.034 206 I HN 0.299 nan 8.210 nan 0.000 0.405 207 K N 0.052 120.432 120.400 -0.035 0.000 2.103 207 K HA -0.209 4.111 4.320 0.000 0.000 0.207 207 K C 2.083 178.662 176.600 -0.036 0.000 1.048 207 K CA 1.244 57.509 56.287 -0.037 0.000 0.930 207 K CB -0.282 32.192 32.500 -0.043 0.000 0.716 207 K HN 0.137 nan 8.250 nan 0.000 0.444 208 L N 1.279 122.482 121.223 -0.033 0.000 2.056 208 L HA -0.121 4.219 4.340 0.000 0.000 0.207 208 L C 1.941 178.790 176.870 -0.034 0.000 1.078 208 L CA 1.477 56.296 54.840 -0.035 0.000 0.749 208 L CB -0.353 41.688 42.059 -0.031 0.000 0.901 208 L HN 0.126 nan 8.230 nan 0.000 0.433 209 L N -1.142 120.063 121.223 -0.031 0.000 2.044 209 L HA -0.125 4.215 4.340 0.000 0.000 0.205 209 L C 2.200 179.050 176.870 -0.034 0.000 1.075 209 L CA 1.321 56.143 54.840 -0.031 0.000 0.747 209 L CB -0.737 41.304 42.059 -0.031 0.000 0.903 209 L HN 0.387 nan 8.230 nan 0.000 0.435 210 S N -0.214 115.465 115.700 -0.036 0.000 2.720 210 S HA 0.136 4.606 4.470 0.000 0.000 0.222 210 S C 1.438 176.019 174.600 -0.032 0.000 0.958 210 S CA 0.246 58.425 58.200 -0.035 0.000 0.943 210 S CB -0.217 62.961 63.200 -0.037 0.000 0.779 210 S HN 0.565 nan 8.310 nan 0.000 0.526 211 G N 1.199 109.979 108.800 -0.033 0.000 2.179 211 G HA2 -0.259 3.701 3.960 0.000 0.000 0.257 211 G HA3 -0.259 3.701 3.960 0.000 0.000 0.257 211 G C -0.017 174.863 174.900 -0.033 0.000 1.010 211 G CA 0.265 45.346 45.100 -0.033 0.000 0.736 211 G HN 0.640 nan 8.290 nan 0.000 0.513 212 I N 1.060 121.609 120.570 -0.034 0.000 2.519 212 I HA 0.234 4.404 4.170 0.000 0.000 0.287 212 I C 1.057 177.152 176.117 -0.037 0.000 1.047 212 I CA -0.520 60.760 61.300 -0.034 0.000 1.381 212 I CB 0.845 38.824 38.000 -0.036 0.000 1.417 212 I HN 0.426 nan 8.210 nan 0.000 0.540 213 E N 4.818 124.997 120.200 -0.035 0.000 2.180 213 E HA 0.339 4.689 4.350 0.000 0.000 0.283 213 E C -0.944 175.634 176.600 -0.038 0.000 1.061 213 E CA -0.376 56.002 56.400 -0.036 0.000 0.861 213 E CB 0.871 30.552 29.700 -0.032 0.000 1.056 213 E HN 0.452 nan 8.360 nan 0.000 0.407 214 T N 3.485 118.016 114.554 -0.039 0.000 2.923 214 T HA 0.355 4.705 4.350 0.000 0.000 0.311 214 T C -2.501 172.178 174.700 -0.035 0.000 1.183 214 T CA -1.301 60.775 62.100 -0.041 0.000 1.020 214 T CB 1.660 70.500 68.868 -0.046 0.000 1.165 214 T HN 0.421 nan 8.240 nan 0.000 0.482 215 P HA 0.569 nan 4.420 nan 0.000 0.268 215 P C -1.417 175.875 177.300 -0.013 0.000 1.204 215 P CA -0.280 62.808 63.100 -0.021 0.000 0.768 215 P CB 0.436 32.123 31.700 -0.022 0.000 0.842 216 A N 1.527 124.346 122.820 -0.003 0.000 2.556 216 A HA 0.718 5.038 4.320 0.000 0.000 0.294 216 A C 0.439 178.042 177.584 0.031 0.000 1.091 216 A CA -0.175 51.870 52.037 0.013 0.000 0.704 216 A CB 1.355 20.352 19.000 -0.005 0.000 1.300 216 A HN 0.866 nan 8.150 nan 0.000 0.406 217 G N 0.222 109.058 108.800 0.061 0.000 2.165 217 G HA2 -0.090 3.870 3.960 0.000 0.000 0.226 217 G HA3 -0.090 3.870 3.960 0.000 0.000 0.226 217 G C -0.403 174.540 174.900 0.071 0.000 1.035 217 G CA 0.412 45.558 45.100 0.077 0.000 0.744 217 G HN 0.892 nan 8.290 nan 0.000 0.501 218 E N -0.789 119.456 120.200 0.075 0.000 2.275 218 E HA 0.473 4.823 4.350 0.000 0.000 0.270 218 E C -0.817 175.843 176.600 0.100 0.000 0.882 218 E CA -1.182 55.263 56.400 0.075 0.000 0.758 218 E CB 2.298 32.032 29.700 0.057 0.000 1.195 218 E HN 0.186 nan 8.360 nan 0.000 0.419 219 L N 3.723 125.012 121.223 0.111 0.000 2.312 219 L HA 0.242 4.582 4.340 0.000 0.000 0.287 219 L C -0.389 176.575 176.870 0.158 0.000 1.091 219 L CA 0.017 54.941 54.840 0.140 0.000 0.846 219 L CB -0.163 41.978 42.059 0.136 0.000 1.219 219 L HN 0.393 nan 8.230 nan 0.000 0.439 220 R N 5.870 126.481 120.500 0.185 0.000 2.340 220 R HA 0.511 4.851 4.340 0.000 0.000 0.300 220 R C -1.056 175.437 176.300 0.322 0.000 1.069 220 R CA -0.425 55.832 56.100 0.262 0.000 0.984 220 R CB 0.655 31.111 30.300 0.261 0.000 1.003 220 R HN 0.600 nan 8.270 nan 0.000 0.459 221 L N 3.521 124.947 121.223 0.338 0.000 2.365 221 L HA 0.528 4.868 4.340 0.000 0.000 0.273 221 L C -0.697 176.255 176.870 0.137 0.000 1.000 221 L CA -0.873 54.100 54.840 0.223 0.000 0.819 221 L CB 1.206 43.348 42.059 0.139 0.000 1.284 221 L HN 0.412 nan 8.230 nan 0.000 0.418 222 F N 2.211 121.965 119.950 -0.327 0.000 2.538 222 F HA 0.563 5.090 4.527 0.000 0.000 0.325 222 F C -0.730 174.816 175.800 -0.422 0.000 1.066 222 F CA -0.981 56.527 58.000 -0.820 0.000 0.946 222 F CB 1.819 40.044 39.000 -1.292 0.000 1.199 222 F HN 0.413 nan 8.300 nan 0.000 0.473 223 D N 2.555 122.268 120.400 -1.145 0.000 2.386 223 D HA 0.242 4.882 4.640 0.000 0.000 0.247 223 D C 0.570 176.166 176.300 -1.174 0.000 1.336 223 D CA -0.154 53.349 54.000 -0.828 0.000 0.976 223 D CB 1.550 42.108 40.800 -0.404 0.000 1.257 223 D HN 0.796 nan 8.370 nan 0.000 0.570 224 G N 2.988 111.163 108.800 -1.042 0.000 2.679 224 G HA2 -0.175 3.785 3.960 0.000 0.000 0.212 224 G HA3 -0.175 3.785 3.960 0.000 0.000 0.212 224 G C 1.256 176.120 174.900 -0.059 0.000 1.137 224 G CA 0.351 45.110 45.100 -0.569 0.000 0.787 224 G HN 0.397 nan 8.290 nan 0.000 0.534 225 K N 0.797 121.089 120.400 -0.180 0.000 2.078 225 K HA -0.030 4.290 4.320 0.000 0.000 0.203 225 K C 2.782 179.269 176.600 -0.189 0.000 1.043 225 K CA 1.250 57.363 56.287 -0.289 0.000 0.960 225 K CB -0.047 32.144 32.500 -0.515 0.000 0.761 225 K HN 0.338 nan 8.250 nan 0.000 0.448 226 S N -0.312 115.271 115.700 -0.195 0.000 2.470 226 S HA 0.015 4.485 4.470 0.000 0.000 0.225 226 S C 0.565 175.120 174.600 -0.075 0.000 1.006 226 S CA 0.600 58.726 58.200 -0.123 0.000 0.934 226 S CB 0.089 63.220 63.200 -0.115 0.000 0.778 226 S HN 0.248 nan 8.310 nan 0.000 0.517 227 S N 0.816 116.444 115.700 -0.120 0.000 3.867 227 S HA -0.128 4.342 4.470 0.000 0.000 0.334 227 S C -0.429 174.232 174.600 0.102 0.000 1.069 227 S CA 0.499 58.712 58.200 0.022 0.000 0.977 227 S CB -1.785 61.476 63.200 0.101 0.000 0.889 227 S HN 0.851 nan 8.310 nan 0.000 0.484 228 Q N -1.077 118.710 119.800 -0.022 0.000 2.394 228 Q HA 0.631 4.971 4.340 0.000 0.000 0.273 228 Q C -0.976 175.056 176.000 0.053 0.000 1.089 228 Q CA -0.637 55.220 55.803 0.089 0.000 0.812 228 Q CB 1.391 30.163 28.738 0.056 0.000 1.353 228 Q HN 0.447 nan 8.270 nan 0.000 0.438 229 W N 0.991 122.405 121.300 0.191 0.000 2.606 229 W HA 0.583 5.243 4.660 0.000 0.000 0.332 229 W C 0.206 176.790 176.519 0.108 0.000 1.052 229 W CA -0.352 57.103 57.345 0.184 0.000 1.223 229 W CB 1.469 31.011 29.460 0.138 0.000 1.383 229 W HN 0.412 nan 8.180 nan 0.000 0.524 230 R N 0.743 121.440 120.500 0.327 0.000 3.029 230 R HA 0.858 5.198 4.340 0.000 0.000 0.239 230 R C -1.001 175.425 176.300 0.210 0.000 1.351 230 R CA -0.903 55.320 56.100 0.205 0.000 1.052 230 R CB 2.128 32.506 30.300 0.130 0.000 1.354 230 R HN 0.401 nan 8.270 nan 0.000 0.499 231 S N 0.315 116.100 115.700 0.142 0.000 2.570 231 S HA 0.383 4.853 4.470 0.000 0.000 0.286 231 S C -1.619 173.034 174.600 0.088 0.000 1.143 231 S CA -0.747 57.528 58.200 0.124 0.000 0.921 231 S CB 1.016 64.280 63.200 0.106 0.000 1.108 231 S HN 0.298 nan 8.310 nan 0.000 0.456 232 L N 2.244 123.518 121.223 0.084 0.000 2.329 232 L HA 0.791 5.131 4.340 0.000 0.000 0.279 232 L C 0.388 177.291 176.870 0.055 0.000 1.014 232 L CA -1.039 53.836 54.840 0.059 0.000 0.814 232 L CB 1.541 43.631 42.059 0.053 0.000 1.257 232 L HN 0.764 nan 8.230 nan 0.000 0.424 233 A N 4.376 127.220 122.820 0.040 0.000 2.409 233 A HA 0.526 4.846 4.320 0.000 0.000 0.267 233 A C -0.210 177.396 177.584 0.036 0.000 1.127 233 A CA -0.321 51.739 52.037 0.038 0.000 0.795 233 A CB 0.078 19.095 19.000 0.028 0.000 1.061 233 A HN 0.656 nan 8.150 nan 0.000 0.502 234 L N 3.022 124.273 121.223 0.048 0.000 2.350 234 L HA 0.507 4.847 4.340 0.000 0.000 0.275 234 L C 0.840 177.735 176.870 0.042 0.000 1.099 234 L CA -0.413 54.456 54.840 0.048 0.000 0.808 234 L CB 0.742 42.848 42.059 0.077 0.000 1.149 234 L HN 0.775 nan 8.230 nan 0.000 0.442 235 R N 3.230 123.746 120.500 0.027 0.000 2.740 235 R HA 0.442 4.782 4.340 0.000 0.000 0.282 235 R C -0.934 175.383 176.300 0.028 0.000 0.969 235 R CA -0.868 55.247 56.100 0.025 0.000 0.918 235 R CB 1.909 32.213 30.300 0.007 0.000 1.175 235 R HN 0.768 nan 8.270 nan 0.000 0.464 236 R N 2.039 122.562 120.500 0.038 0.000 2.308 236 R HA 0.444 4.784 4.340 0.000 0.000 0.305 236 R C -0.626 175.685 176.300 0.017 0.000 1.053 236 R CA -0.381 55.743 56.100 0.041 0.000 0.957 236 R CB 1.162 31.501 30.300 0.064 0.000 1.022 236 R HN 0.499 nan 8.270 nan 0.000 0.461 237 A N 3.588 126.410 122.820 0.004 0.000 2.438 237 A HA 0.137 4.457 4.320 0.000 0.000 0.280 237 A C 0.370 177.953 177.584 -0.002 0.000 1.160 237 A CA -0.396 51.636 52.037 -0.009 0.000 0.821 237 A CB -0.039 18.948 19.000 -0.022 0.000 1.101 237 A HN 0.881 nan 8.150 nan 0.000 0.515 238 S N 2.674 118.373 115.700 -0.001 0.000 2.643 238 S HA 0.403 4.873 4.470 0.000 0.000 0.329 238 S C 0.868 175.467 174.600 -0.002 0.000 1.193 238 S CA 0.109 58.310 58.200 0.002 0.000 1.293 238 S CB -0.626 62.574 63.200 0.001 0.000 1.205 238 S HN 2.387 nan 8.310 nan 0.000 0.550 239 G N 1.398 110.198 108.800 -0.000 0.000 2.842 239 G HA2 -0.163 3.797 3.960 0.000 0.000 0.242 239 G HA3 -0.163 3.797 3.960 0.000 0.000 0.242 239 G C -0.129 174.767 174.900 -0.007 0.000 1.135 239 G CA -0.505 44.593 45.100 -0.003 0.000 1.048 239 G HN 1.264 nan 8.290 nan 0.000 0.530 240 C N 1.706 121.001 119.300 -0.008 0.000 2.341 240 C HA 0.748 5.208 4.460 0.000 0.000 0.338 240 C C 0.213 175.193 174.990 -0.017 0.000 1.257 240 C CA -1.519 57.490 59.018 -0.014 0.000 1.883 240 C CB 0.767 28.496 27.740 -0.019 0.000 2.334 240 C HN 0.447 nan 8.230 nan 0.000 0.524 241 P HA -0.141 nan 4.420 nan 0.000 0.220 241 P C 1.051 178.336 177.300 -0.026 0.000 1.144 241 P CA 1.471 64.562 63.100 -0.014 0.000 0.800 241 P CB 0.179 31.877 31.700 -0.005 0.000 0.772 242 V N -1.696 118.192 119.914 -0.044 0.000 3.054 242 V HA -0.034 4.086 4.120 0.000 0.000 0.227 242 V C 2.046 178.075 176.094 -0.108 0.000 1.252 242 V CA 1.031 63.286 62.300 -0.075 0.000 1.279 242 V CB -0.219 31.548 31.823 -0.094 0.000 1.118 242 V HN 0.242 nan 8.190 nan 0.000 0.504 243 C N 2.179 121.398 119.300 -0.136 0.000 2.495 243 C HA 0.500 4.960 4.460 0.000 0.000 0.275 243 C C 1.805 176.769 174.990 -0.042 0.000 1.392 243 C CA -0.082 58.842 59.018 -0.156 0.000 1.766 243 C CB -2.070 25.552 27.740 -0.197 0.000 1.933 243 C HN 0.657 nan 8.230 nan 0.000 0.519 244 G N 0.000 108.786 108.800 -0.024 0.000 5.446 244 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 244 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 244 G CA 0.000 45.102 45.100 0.003 0.000 0.502 244 G HN 0.000 nan 8.290 nan 0.000 0.925