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 2he9_1_A DATA FIRST_RESID 6 DATA SEQUENCE SPQCHFDIEI NREPVGRIMF QLFSDICPKT CKNFLCLCSG EKGLGKTTGK DATA SEQUENCE KLCYKGSTFH RVVKNFMIQG GDFSEGNGKG GESIYGGYFK DENFILKHDR DATA SEQUENCE AFLLSMANRG KHTNGSQFFI TTKPAPHLDG VHVVFGLVIS GFEVIEQIEN DATA SEQUENCE LKTDAASRPY ADVRVIDCGV LA 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.613 174.600 0.022 0.000 1.055 6 S CA 0.000 58.232 58.200 0.054 0.000 1.107 6 S CB 0.000 63.246 63.200 0.077 0.000 0.593 7 P HA 0.334 nan 4.420 nan 0.000 0.269 7 P C -0.868 176.436 177.300 0.007 0.000 1.215 7 P CA -0.141 62.974 63.100 0.024 0.000 0.780 7 P CB 0.386 32.111 31.700 0.042 0.000 0.898 8 Q N -0.234 119.585 119.800 0.032 0.000 2.421 8 Q HA 0.656 4.996 4.340 0.000 0.000 0.280 8 Q C -0.958 175.102 176.000 0.100 0.000 1.085 8 Q CA -0.661 55.165 55.803 0.039 0.000 0.807 8 Q CB 2.340 31.087 28.738 0.014 0.000 1.405 8 Q HN 0.759 nan 8.270 nan 0.000 0.419 9 C N -0.737 118.656 119.300 0.155 0.000 3.311 9 C HA 0.851 5.311 4.460 0.000 0.000 0.325 9 C C -1.239 173.910 174.990 0.264 0.000 1.352 9 C CA -0.968 58.180 59.018 0.218 0.000 1.308 9 C CB 0.864 28.746 27.740 0.238 0.000 1.619 9 C HN 1.142 nan 8.230 nan 0.000 0.469 10 H N -1.092 118.077 119.070 0.164 0.000 2.928 10 H HA 0.874 5.430 4.556 0.000 0.000 0.371 10 H C -1.961 173.570 175.328 0.339 0.000 1.186 10 H CA -0.824 55.274 56.048 0.083 0.000 1.134 10 H CB 1.056 30.830 29.762 0.020 0.000 1.824 10 H HN 0.538 nan 8.280 nan 0.000 0.554 11 F N 0.887 120.894 119.950 0.095 0.000 2.495 11 F HA 0.365 4.892 4.527 0.000 0.000 0.327 11 F C -0.487 175.411 175.800 0.162 0.000 1.103 11 F CA -1.180 56.877 58.000 0.095 0.000 0.949 11 F CB 1.888 41.014 39.000 0.210 0.000 1.142 11 F HN 0.610 nan 8.300 nan 0.000 0.457 12 D N 3.425 124.039 120.400 0.355 0.000 2.256 12 D HA 0.421 5.061 4.640 0.000 0.000 0.240 12 D C -0.274 176.127 176.300 0.168 0.000 1.062 12 D CA -0.070 54.069 54.000 0.230 0.000 0.832 12 D CB 2.122 43.045 40.800 0.205 0.000 1.135 12 D HN 0.074 nan 8.370 nan 0.000 0.484 13 I N 1.601 122.246 120.570 0.126 0.000 2.441 13 I HA 0.293 4.463 4.170 0.000 0.000 0.295 13 I C 0.394 176.553 176.117 0.070 0.000 0.994 13 I CA -0.584 60.782 61.300 0.109 0.000 1.144 13 I CB 1.573 39.625 38.000 0.086 0.000 1.314 13 I HN 0.189 nan 8.210 nan 0.000 0.445 14 E N 5.720 125.963 120.200 0.070 0.000 2.222 14 E HA 0.587 4.937 4.350 0.000 0.000 0.267 14 E C -1.030 175.603 176.600 0.055 0.000 0.884 14 E CA -0.670 55.761 56.400 0.052 0.000 0.764 14 E CB 3.112 32.841 29.700 0.048 0.000 1.169 14 E HN 0.395 nan 8.360 nan 0.000 0.413 15 I N 3.039 123.634 120.570 0.042 0.000 2.355 15 I HA 0.169 4.339 4.170 0.000 0.000 0.288 15 I C -0.365 175.779 176.117 0.044 0.000 0.999 15 I CA -0.603 60.725 61.300 0.046 0.000 1.163 15 I CB 0.898 38.918 38.000 0.034 0.000 1.316 15 I HN 0.505 nan 8.210 nan 0.000 0.454 16 N N 6.251 124.981 118.700 0.051 0.000 2.727 16 N HA -0.232 4.508 4.740 0.000 0.000 0.249 16 N C 0.360 175.892 175.510 0.037 0.000 1.048 16 N CA 0.782 53.859 53.050 0.045 0.000 0.714 16 N CB -0.766 37.746 38.487 0.043 0.000 0.959 16 N HN 0.708 nan 8.380 nan 0.000 0.544 17 R N -2.588 117.935 120.500 0.039 0.000 3.994 17 R HA -0.249 4.091 4.340 0.000 0.000 0.403 17 R C -0.045 176.273 176.300 0.029 0.000 1.126 17 R CA 1.503 57.623 56.100 0.034 0.000 1.143 17 R CB -1.444 28.873 30.300 0.029 0.000 1.695 17 R HN 0.639 nan 8.270 nan 0.000 0.555 18 E N 2.376 122.593 120.200 0.028 0.000 2.167 18 E HA 0.212 4.562 4.350 0.000 0.000 0.284 18 E C -2.316 174.298 176.600 0.023 0.000 1.016 18 E CA -2.333 54.080 56.400 0.023 0.000 0.817 18 E CB 0.972 30.684 29.700 0.020 0.000 1.080 18 E HN -0.097 nan 8.360 nan 0.000 0.397 19 P HA -0.056 nan 4.420 nan 0.000 0.267 19 P C 0.347 177.654 177.300 0.012 0.000 1.209 19 P CA 0.158 63.270 63.100 0.020 0.000 0.763 19 P CB 0.826 32.537 31.700 0.017 0.000 0.816 20 V N 0.769 120.689 119.914 0.011 0.000 3.556 20 V HA 0.647 4.767 4.120 0.000 0.000 0.287 20 V C 0.647 176.731 176.094 -0.018 0.000 1.422 20 V CA 0.545 62.843 62.300 -0.003 0.000 1.038 20 V CB -0.349 31.471 31.823 -0.004 0.000 0.850 20 V HN 0.750 nan 8.190 nan 0.000 0.437 21 G N 0.733 109.526 108.800 -0.012 0.000 2.359 21 G HA2 0.222 4.182 3.960 0.000 0.000 0.303 21 G HA3 0.222 4.182 3.960 0.000 0.000 0.303 21 G C -1.107 173.780 174.900 -0.022 0.000 1.293 21 G CA -0.463 44.617 45.100 -0.034 0.000 0.964 21 G HN 0.575 nan 8.290 nan 0.000 0.531 22 R N -0.334 120.131 120.500 -0.059 0.000 2.445 22 R HA 0.721 5.061 4.340 0.000 0.000 0.308 22 R C -0.501 175.696 176.300 -0.171 0.000 0.961 22 R CA -0.863 55.209 56.100 -0.048 0.000 0.862 22 R CB 0.835 31.096 30.300 -0.065 0.000 1.144 22 R HN 0.464 nan 8.270 nan 0.000 0.447 23 I N 5.126 125.582 120.570 -0.189 0.000 2.315 23 I HA 0.249 4.419 4.170 0.000 0.000 0.291 23 I C -0.194 175.548 176.117 -0.624 0.000 1.006 23 I CA -0.740 60.270 61.300 -0.484 0.000 1.265 23 I CB 1.692 39.376 38.000 -0.527 0.000 1.387 23 I HN 0.585 nan 8.210 nan 0.000 0.475 24 M N 7.905 127.111 119.600 -0.658 0.000 2.268 24 M HA 0.526 5.006 4.480 0.000 0.000 0.344 24 M C -1.577 174.342 176.300 -0.635 0.000 1.106 24 M CA 0.108 55.103 55.300 -0.508 0.000 1.010 24 M CB 0.735 33.144 32.600 -0.320 0.000 1.649 24 M HN 0.232 nan 8.290 nan 0.000 0.443 25 F N 2.602 122.410 119.950 -0.237 0.000 2.469 25 F HA 0.509 5.036 4.527 0.000 0.000 0.332 25 F C -0.001 175.638 175.800 -0.270 0.000 1.103 25 F CA -0.527 57.289 58.000 -0.305 0.000 0.979 25 F CB 1.555 40.318 39.000 -0.395 0.000 1.137 25 F HN 0.519 nan 8.300 nan 0.000 0.463 26 Q N 3.998 123.711 119.800 -0.146 0.000 2.290 26 Q HA 0.590 4.930 4.340 0.000 0.000 0.259 26 Q C -1.685 173.993 176.000 -0.537 0.000 0.941 26 Q CA -0.516 55.123 55.803 -0.274 0.000 0.912 26 Q CB 1.139 29.704 28.738 -0.288 0.000 1.244 26 Q HN 0.725 nan 8.270 nan 0.000 0.441 27 L N 3.777 124.757 121.223 -0.405 0.000 2.331 27 L HA 0.464 4.804 4.340 0.000 0.000 0.275 27 L C -0.802 175.887 176.870 -0.301 0.000 1.022 27 L CA -0.880 53.728 54.840 -0.388 0.000 0.812 27 L CB 1.022 43.025 42.059 -0.095 0.000 1.257 27 L HN 0.727 nan 8.230 nan 0.000 0.435 28 F N 0.640 120.612 119.950 0.036 0.000 2.344 28 F HA 0.139 4.666 4.527 -0.000 0.000 0.344 28 F C 1.366 177.205 175.800 0.065 0.000 1.140 28 F CA -0.674 57.349 58.000 0.037 0.000 1.256 28 F CB 0.707 39.718 39.000 0.017 0.000 1.573 28 F HN 0.499 nan 8.300 nan 0.000 0.547 29 S N -1.214 114.607 115.700 0.202 0.000 2.528 29 S HA -0.073 4.397 4.470 0.000 0.000 0.219 29 S C 1.350 176.018 174.600 0.113 0.000 0.985 29 S CA 0.506 58.790 58.200 0.141 0.000 0.914 29 S CB -0.082 63.177 63.200 0.099 0.000 0.776 29 S HN 0.341 nan 8.310 nan 0.000 0.526 30 D N 1.635 122.108 120.400 0.122 0.000 2.183 30 D HA 0.080 4.720 4.640 0.000 0.000 0.203 30 D C 1.619 177.959 176.300 0.066 0.000 0.969 30 D CA 0.791 54.840 54.000 0.081 0.000 0.842 30 D CB -0.138 40.705 40.800 0.071 0.000 0.957 30 D HN 0.535 nan 8.370 nan 0.000 0.484 31 I N -0.869 119.752 120.570 0.085 0.000 2.731 31 I HA -0.017 4.153 4.170 0.000 0.000 0.260 31 I C 0.195 176.353 176.117 0.069 0.000 1.138 31 I CA 0.667 62.002 61.300 0.058 0.000 1.461 31 I CB 0.633 38.654 38.000 0.036 0.000 1.128 31 I HN -0.140 nan 8.210 nan 0.000 0.438 32 C N 3.226 122.593 119.300 0.111 0.000 3.273 32 C HA 0.376 4.836 4.460 0.000 0.000 0.227 32 C C -1.308 173.736 174.990 0.090 0.000 1.409 32 C CA -0.946 58.133 59.018 0.102 0.000 1.516 32 C CB -0.071 27.767 27.740 0.163 0.000 1.853 32 C HN 0.337 nan 8.230 nan 0.000 0.472 33 P HA -0.146 nan 4.420 nan 0.000 0.216 33 P C 1.585 178.903 177.300 0.030 0.000 1.153 33 P CA 1.424 64.553 63.100 0.048 0.000 0.844 33 P CB 0.342 32.060 31.700 0.029 0.000 0.787 34 K N -0.439 119.963 120.400 0.003 0.000 2.057 34 K HA -0.076 4.244 4.320 0.000 0.000 0.206 34 K C 1.954 178.539 176.600 -0.026 0.000 1.050 34 K CA 1.785 58.045 56.287 -0.046 0.000 0.935 34 K CB -0.481 31.926 32.500 -0.154 0.000 0.715 34 K HN 0.002 nan 8.250 nan 0.000 0.439 35 T N 0.440 115.014 114.554 0.034 0.000 2.746 35 T HA -0.157 4.193 4.350 0.000 0.000 0.267 35 T C 2.047 176.645 174.700 -0.171 0.000 1.039 35 T CA 1.397 63.484 62.100 -0.022 0.000 1.142 35 T CB -0.420 68.371 68.868 -0.128 0.000 0.866 35 T HN 0.346 nan 8.240 nan 0.000 0.444 36 C N 1.238 120.523 119.300 -0.026 0.000 2.440 36 C HA 0.047 4.507 4.460 0.000 0.000 0.278 36 C C 2.738 177.788 174.990 0.100 0.000 1.295 36 C CA 0.230 59.313 59.018 0.108 0.000 1.738 36 C CB -0.753 27.079 27.740 0.152 0.000 1.987 36 C HN 0.577 nan 8.230 nan 0.000 0.492 37 K N 1.426 121.856 120.400 0.050 0.000 2.057 37 K HA -0.197 4.123 4.320 0.000 0.000 0.207 37 K C 1.855 178.433 176.600 -0.037 0.000 1.049 37 K CA 1.951 58.253 56.287 0.025 0.000 0.931 37 K CB -0.356 32.167 32.500 0.038 0.000 0.714 37 K HN 0.445 nan 8.250 nan 0.000 0.440 38 N N 0.177 118.826 118.700 -0.085 0.000 2.036 38 N HA -0.230 4.510 4.740 0.000 0.000 0.195 38 N C 1.643 177.129 175.510 -0.040 0.000 1.037 38 N CA 1.766 54.705 53.050 -0.186 0.000 0.855 38 N CB -0.370 37.987 38.487 -0.216 0.000 1.033 38 N HN 0.237 nan 8.380 nan 0.000 0.423 39 F N 0.561 120.483 119.950 -0.046 0.000 2.146 39 F HA 0.031 4.558 4.527 0.000 0.000 0.298 39 F C 1.941 177.770 175.800 0.050 0.000 1.096 39 F CA 1.014 59.068 58.000 0.089 0.000 1.275 39 F CB -0.198 38.922 39.000 0.201 0.000 1.008 39 F HN 0.072 nan 8.300 nan 0.000 0.480 40 L N -0.958 120.384 121.223 0.198 0.000 2.012 40 L HA -0.315 4.026 4.340 0.000 0.000 0.210 40 L C 2.597 179.433 176.870 -0.057 0.000 1.073 40 L CA 1.381 56.273 54.840 0.086 0.000 0.748 40 L CB -1.025 41.087 42.059 0.087 0.000 0.891 40 L HN 0.252 nan 8.230 nan 0.000 0.431 41 C N -0.326 118.906 119.300 -0.113 0.000 2.435 41 C HA -0.102 4.358 4.460 0.000 0.000 0.279 41 C C 2.678 177.503 174.990 -0.275 0.000 1.321 41 C CA 0.372 59.284 59.018 -0.177 0.000 1.752 41 C CB -0.766 26.851 27.740 -0.205 0.000 1.959 41 C HN 0.431 nan 8.230 nan 0.000 0.500 42 L N -0.535 120.452 121.223 -0.394 0.000 2.275 42 L HA -0.129 4.211 4.340 0.000 0.000 0.215 42 L C 2.421 178.943 176.870 -0.581 0.000 1.119 42 L CA 0.910 55.337 54.840 -0.688 0.000 0.790 42 L CB -0.501 40.825 42.059 -1.222 0.000 0.919 42 L HN 0.443 nan 8.230 nan 0.000 0.443 43 C N -1.108 118.009 119.300 -0.306 0.000 2.492 43 C HA -0.063 4.398 4.460 0.000 0.000 0.279 43 C C 3.122 178.056 174.990 -0.094 0.000 1.335 43 C CA 0.946 59.914 59.018 -0.082 0.000 1.734 43 C CB -0.535 27.223 27.740 0.029 0.000 2.027 43 C HN 0.669 nan 8.230 nan 0.000 0.496 44 S N -0.015 115.619 115.700 -0.111 0.000 2.446 44 S HA 0.239 4.709 4.470 0.000 0.000 0.225 44 S C 1.682 176.208 174.600 -0.124 0.000 1.016 44 S CA 1.317 59.465 58.200 -0.087 0.000 0.943 44 S CB -0.451 62.709 63.200 -0.068 0.000 0.786 44 S HN 1.072 nan 8.310 nan 0.000 0.508 45 G N 2.267 110.954 108.800 -0.188 0.000 2.148 45 G HA2 -0.367 3.593 3.960 0.000 0.000 0.254 45 G HA3 -0.367 3.593 3.960 0.000 0.000 0.254 45 G C 0.644 175.439 174.900 -0.175 0.000 0.981 45 G CA 0.608 45.578 45.100 -0.216 0.000 0.670 45 G HN 0.811 nan 8.290 nan 0.000 0.528 46 E N -0.271 119.841 120.200 -0.146 0.000 2.333 46 E HA -0.065 4.285 4.350 0.000 0.000 0.198 46 E C 1.766 178.293 176.600 -0.121 0.000 1.007 46 E CA 0.954 57.286 56.400 -0.113 0.000 0.845 46 E CB -0.104 29.542 29.700 -0.090 0.000 0.766 46 E HN 0.307 nan 8.360 nan 0.000 0.507 47 K N 0.751 121.058 120.400 -0.156 0.000 2.426 47 K HA 0.153 4.473 4.320 0.000 0.000 0.193 47 K C 1.089 177.606 176.600 -0.139 0.000 1.028 47 K CA 0.758 56.955 56.287 -0.149 0.000 1.047 47 K CB 0.524 32.913 32.500 -0.185 0.000 0.821 47 K HN 0.345 nan 8.250 nan 0.000 0.513 48 G N 1.270 109.980 108.800 -0.151 0.000 2.496 48 G HA2 -0.285 3.676 3.960 0.000 0.000 0.243 48 G HA3 -0.285 3.676 3.960 0.000 0.000 0.243 48 G C -0.552 174.261 174.900 -0.145 0.000 1.176 48 G CA -0.442 44.581 45.100 -0.129 0.000 0.940 48 G HN 0.146 nan 8.290 nan 0.000 0.573 49 L N 2.065 123.226 121.223 -0.103 0.000 2.326 49 L HA 0.548 4.888 4.340 0.000 0.000 0.278 49 L C 1.636 178.469 176.870 -0.061 0.000 1.092 49 L CA -0.143 54.647 54.840 -0.083 0.000 0.810 49 L CB 0.974 43.004 42.059 -0.048 0.000 1.153 49 L HN 0.982 nan 8.230 nan 0.000 0.439 50 G N 1.951 110.735 108.800 -0.026 0.000 2.353 50 G HA2 0.013 3.973 3.960 0.000 0.000 0.239 50 G HA3 0.013 3.973 3.960 0.000 0.000 0.239 50 G C 0.640 175.558 174.900 0.030 0.000 1.295 50 G CA -0.315 44.813 45.100 0.046 0.000 0.884 50 G HN 0.785 nan 8.290 nan 0.000 0.537 51 K N 0.549 120.960 120.400 0.018 0.000 2.148 51 K HA -0.087 4.233 4.320 0.000 0.000 0.204 51 K C 2.597 179.199 176.600 0.004 0.000 1.050 51 K CA 1.734 58.024 56.287 0.005 0.000 0.942 51 K CB 0.120 32.622 32.500 0.003 0.000 0.724 51 K HN 0.661 nan 8.250 nan 0.000 0.446 52 T N -2.919 111.638 114.554 0.005 0.000 3.015 52 T HA -0.011 4.339 4.350 0.000 0.000 0.250 52 T C 1.915 176.611 174.700 -0.007 0.000 1.057 52 T CA 0.810 62.900 62.100 -0.018 0.000 1.066 52 T CB 0.133 68.965 68.868 -0.060 0.000 0.959 52 T HN 0.178 nan 8.240 nan 0.000 0.488 53 T N -2.038 112.534 114.554 0.029 0.000 3.023 53 T HA 0.425 4.775 4.350 0.000 0.000 0.249 53 T C 2.032 176.766 174.700 0.058 0.000 1.050 53 T CA 0.812 62.939 62.100 0.044 0.000 1.088 53 T CB -0.540 68.376 68.868 0.080 0.000 0.946 53 T HN 0.963 nan 8.240 nan 0.000 0.480 54 G N 1.997 110.830 108.800 0.055 0.000 2.168 54 G HA2 -0.218 3.742 3.960 0.000 0.000 0.257 54 G HA3 -0.218 3.742 3.960 0.000 0.000 0.257 54 G C -0.059 174.870 174.900 0.048 0.000 0.997 54 G CA 0.326 45.447 45.100 0.035 0.000 0.708 54 G HN 0.643 nan 8.290 nan 0.000 0.520 55 K N -0.059 120.406 120.400 0.109 0.000 2.208 55 K HA 0.431 4.751 4.320 0.000 0.000 0.247 55 K C 0.358 176.934 176.600 -0.040 0.000 0.953 55 K CA -1.076 55.275 56.287 0.107 0.000 0.837 55 K CB 1.665 34.340 32.500 0.292 0.000 1.131 55 K HN 0.235 nan 8.250 nan 0.000 0.431 56 K N 2.025 122.331 120.400 -0.157 0.000 2.491 56 K HA -0.031 4.290 4.320 0.000 0.000 0.279 56 K C -0.180 175.999 176.600 -0.703 0.000 1.026 56 K CA 0.067 56.170 56.287 -0.307 0.000 1.070 56 K CB 0.083 32.440 32.500 -0.239 0.000 0.887 56 K HN 0.424 nan 8.250 nan 0.000 0.481 57 L N 6.159 127.009 121.223 -0.623 0.000 2.400 57 L HA 0.088 4.428 4.340 0.000 0.000 0.262 57 L C -0.269 176.163 176.870 -0.729 0.000 1.309 57 L CA -0.347 54.006 54.840 -0.812 0.000 1.186 57 L CB -0.263 41.545 42.059 -0.419 0.000 1.375 57 L HN 0.590 nan 8.230 nan 0.000 0.433 58 C N 0.550 119.322 119.300 -0.879 0.000 3.090 58 C HA 0.313 4.773 4.460 0.000 0.000 0.347 58 C C 0.857 175.599 174.990 -0.414 0.000 1.147 58 C CA -0.651 58.034 59.018 -0.555 0.000 1.305 58 C CB 1.228 28.759 27.740 -0.348 0.000 1.692 58 C HN 0.641 nan 8.230 nan 0.000 0.506 59 Y N 1.816 121.986 120.300 -0.216 0.000 2.561 59 Y HA 0.185 4.735 4.550 0.000 0.000 0.291 59 Y C 1.532 177.305 175.900 -0.212 0.000 1.141 59 Y CA 0.700 58.683 58.100 -0.195 0.000 1.303 59 Y CB -0.220 38.045 38.460 -0.326 0.000 1.015 59 Y HN 0.571 nan 8.280 nan 0.000 0.547 60 K N 0.262 120.632 120.400 -0.050 0.000 2.416 60 K HA 0.275 4.595 4.320 0.000 0.000 0.283 60 K C 1.148 177.730 176.600 -0.029 0.000 1.037 60 K CA 0.980 57.234 56.287 -0.055 0.000 0.995 60 K CB -0.071 32.396 32.500 -0.054 0.000 0.938 60 K HN 0.457 nan 8.250 nan 0.000 0.475 61 G N 2.285 111.076 108.800 -0.015 0.000 2.199 61 G HA2 -0.319 3.641 3.960 0.000 0.000 0.254 61 G HA3 -0.319 3.641 3.960 0.000 0.000 0.254 61 G C 0.084 175.003 174.900 0.032 0.000 0.982 61 G CA 0.422 45.529 45.100 0.011 0.000 0.632 61 G HN 0.854 nan 8.290 nan 0.000 0.529 62 S N 0.017 115.737 115.700 0.034 0.000 2.624 62 S HA 0.751 5.221 4.470 0.000 0.000 0.263 62 S C 0.452 175.065 174.600 0.022 0.000 1.287 62 S CA 0.905 59.139 58.200 0.057 0.000 0.990 62 S CB 1.709 64.987 63.200 0.130 0.000 0.950 62 S HN 1.653 nan 8.310 nan 0.000 0.561 63 T N -1.824 112.746 114.554 0.026 0.000 2.910 63 T HA 0.666 5.016 4.350 0.000 0.000 0.287 63 T C -0.913 173.784 174.700 -0.006 0.000 1.050 63 T CA -0.846 61.304 62.100 0.083 0.000 1.011 63 T CB 0.517 69.452 68.868 0.113 0.000 1.195 63 T HN 0.485 nan 8.240 nan 0.000 0.540 64 F N 2.379 122.365 119.950 0.060 0.000 2.391 64 F HA 0.333 4.860 4.527 0.000 0.000 0.359 64 F C 1.744 177.535 175.800 -0.015 0.000 1.122 64 F CA -0.582 57.418 58.000 -0.000 0.000 1.120 64 F CB 0.942 39.955 39.000 0.021 0.000 1.142 64 F HN 0.817 nan 8.300 nan 0.000 0.483 65 H N 2.237 121.324 119.070 0.029 0.000 2.652 65 H HA 0.324 4.880 4.556 0.000 0.000 0.274 65 H C 0.107 175.435 175.328 -0.001 0.000 1.021 65 H CA -0.247 55.803 56.048 0.004 0.000 1.187 65 H CB 0.568 30.303 29.762 -0.045 0.000 1.505 65 H HN 0.513 nan 8.280 nan 0.000 0.530 66 R N 1.039 121.304 120.500 -0.391 0.000 2.533 66 R HA 0.505 4.846 4.340 0.000 0.000 0.288 66 R C -2.143 174.094 176.300 -0.105 0.000 1.039 66 R CA -0.568 55.400 56.100 -0.220 0.000 0.909 66 R CB 2.512 32.646 30.300 -0.277 0.000 1.195 66 R HN 0.027 nan 8.270 nan 0.000 0.438 67 V N 4.973 124.864 119.914 -0.038 0.000 2.525 67 V HA 0.438 4.558 4.120 0.000 0.000 0.299 67 V C -0.921 175.187 176.094 0.023 0.000 1.034 67 V CA -0.705 61.598 62.300 0.005 0.000 0.863 67 V CB 2.147 33.981 31.823 0.018 0.000 0.999 67 V HN 0.517 nan 8.190 nan 0.000 0.423 68 V N 4.828 124.773 119.914 0.052 0.000 2.380 68 V HA 0.381 4.501 4.120 0.000 0.000 0.286 68 V C 0.130 176.305 176.094 0.134 0.000 1.015 68 V CA -1.042 61.327 62.300 0.116 0.000 0.834 68 V CB 1.579 33.549 31.823 0.244 0.000 1.009 68 V HN 0.878 nan 8.190 nan 0.000 0.428 69 K N 4.652 125.111 120.400 0.098 0.000 2.484 69 K HA 0.053 4.373 4.320 0.000 0.000 0.280 69 K C 0.804 177.471 176.600 0.111 0.000 1.013 69 K CA 0.522 56.862 56.287 0.089 0.000 1.029 69 K CB 0.096 32.634 32.500 0.063 0.000 0.902 69 K HN 0.738 nan 8.250 nan 0.000 0.481 70 N N 1.938 120.704 118.700 0.110 0.000 2.850 70 N HA -0.235 4.505 4.740 0.000 0.000 0.249 70 N C -0.505 175.132 175.510 0.211 0.000 1.060 70 N CA 1.403 54.520 53.050 0.112 0.000 0.825 70 N CB -1.153 37.376 38.487 0.070 0.000 1.132 70 N HN 0.600 nan 8.380 nan 0.000 0.564 71 F N 0.234 120.197 119.950 0.022 0.000 2.017 71 F HA 0.494 5.022 4.527 0.000 0.000 0.245 71 F C 0.119 175.959 175.800 0.066 0.000 1.060 71 F CA 1.218 59.237 58.000 0.032 0.000 1.231 71 F CB 0.131 39.139 39.000 0.013 0.000 1.527 71 F HN -0.007 nan 8.300 nan 0.000 0.636 72 M N 1.263 120.779 119.600 -0.139 0.000 2.694 72 M HA 0.451 4.932 4.480 0.000 0.000 0.276 72 M C -1.880 174.394 176.300 -0.043 0.000 1.167 72 M CA -0.890 54.291 55.300 -0.198 0.000 0.849 72 M CB 1.940 34.198 32.600 -0.569 0.000 1.705 72 M HN 0.195 nan 8.290 nan 0.000 0.504 73 I N -0.727 119.898 120.570 0.092 0.000 2.603 73 I HA 0.851 5.021 4.170 0.000 0.000 0.300 73 I C -1.324 174.961 176.117 0.280 0.000 1.017 73 I CA -0.588 60.811 61.300 0.166 0.000 1.098 73 I CB 2.110 40.199 38.000 0.147 0.000 1.279 73 I HN 1.005 nan 8.210 nan 0.000 0.437 74 Q N 3.795 123.683 119.800 0.147 0.000 2.347 74 Q HA 0.763 5.103 4.340 0.000 0.000 0.271 74 Q C -1.064 174.587 176.000 -0.582 0.000 1.064 74 Q CA -0.599 55.088 55.803 -0.194 0.000 0.800 74 Q CB 2.437 30.979 28.738 -0.327 0.000 1.304 74 Q HN 1.088 nan 8.270 nan 0.000 0.438 75 G N 0.078 108.184 108.800 -1.156 0.000 2.947 75 G HA2 0.592 4.553 3.960 0.000 0.000 0.293 75 G HA3 0.592 4.553 3.960 0.000 0.000 0.293 75 G C 0.190 174.509 174.900 -0.967 0.000 1.243 75 G CA -0.261 44.142 45.100 -1.161 0.000 0.802 75 G HN 1.288 nan 8.290 nan 0.000 0.560 76 G N -0.631 107.891 108.800 -0.464 0.000 2.157 76 G HA2 -0.208 3.752 3.960 0.000 0.000 0.248 76 G HA3 -0.208 3.752 3.960 0.000 0.000 0.248 76 G C 0.151 175.180 174.900 0.215 0.000 0.979 76 G CA 0.750 45.938 45.100 0.147 0.000 0.650 76 G HN 0.920 nan 8.290 nan 0.000 0.529 77 D N 0.797 121.208 120.400 0.019 0.000 2.522 77 D HA 0.417 5.058 4.640 0.000 0.000 0.218 77 D C 1.537 177.781 176.300 -0.093 0.000 1.149 77 D CA -0.909 53.006 54.000 -0.142 0.000 0.981 77 D CB -0.701 39.905 40.800 -0.324 0.000 1.041 77 D HN 0.326 nan 8.370 nan 0.000 0.518 78 F N 1.292 121.272 119.950 0.050 0.000 2.710 78 F HA 0.070 4.597 4.527 0.000 0.000 0.298 78 F C 1.802 177.600 175.800 -0.002 0.000 1.137 78 F CA 0.364 58.381 58.000 0.029 0.000 1.444 78 F CB -0.629 38.390 39.000 0.032 0.000 1.111 78 F HN 0.219 nan 8.300 nan 0.000 0.580 79 S N -0.917 114.640 115.700 -0.240 0.000 2.483 79 S HA 0.132 4.602 4.470 0.000 0.000 0.221 79 S C 1.369 175.926 174.600 -0.073 0.000 1.030 79 S CA 0.252 58.401 58.200 -0.085 0.000 0.925 79 S CB -0.214 62.869 63.200 -0.195 0.000 0.795 79 S HN 0.480 nan 8.310 nan 0.000 0.511 80 E N 0.426 120.548 120.200 -0.129 0.000 2.536 80 E HA 0.242 4.592 4.350 0.000 0.000 0.220 80 E C 1.108 177.638 176.600 -0.116 0.000 0.876 80 E CA 0.458 56.794 56.400 -0.106 0.000 1.190 80 E CB 0.485 30.110 29.700 -0.124 0.000 1.191 80 E HN 0.575 nan 8.360 nan 0.000 0.557 81 G N 3.550 112.261 108.800 -0.148 0.000 2.233 81 G HA2 -0.313 3.647 3.960 0.000 0.000 0.270 81 G HA3 -0.313 3.647 3.960 0.000 0.000 0.270 81 G C 0.401 175.163 174.900 -0.231 0.000 1.011 81 G CA 1.172 46.187 45.100 -0.142 0.000 0.762 81 G HN 0.402 nan 8.290 nan 0.000 0.511 82 N N -2.292 116.176 118.700 -0.387 0.000 2.036 82 N HA 0.410 5.150 4.740 0.000 0.000 0.228 82 N C 1.402 176.650 175.510 -0.436 0.000 1.368 82 N CA 1.032 53.885 53.050 -0.328 0.000 0.846 82 N CB 0.009 38.417 38.487 -0.132 0.000 1.145 82 N HN 1.455 nan 8.380 nan 0.000 0.502 83 G N 0.793 109.165 108.800 -0.714 0.000 2.232 83 G HA2 -0.308 3.652 3.960 0.000 0.000 0.226 83 G HA3 -0.308 3.652 3.960 0.000 0.000 0.226 83 G C 0.820 175.627 174.900 -0.156 0.000 0.996 83 G CA 0.373 45.258 45.100 -0.358 0.000 0.626 83 G HN 0.367 nan 8.290 nan 0.000 0.509 84 K N 0.633 120.942 120.400 -0.152 0.000 2.361 84 K HA 0.330 4.650 4.320 0.000 0.000 0.196 84 K C 1.771 178.331 176.600 -0.066 0.000 1.039 84 K CA 0.594 56.837 56.287 -0.073 0.000 1.001 84 K CB 0.456 32.922 32.500 -0.057 0.000 0.795 84 K HN 0.425 nan 8.250 nan 0.000 0.495 85 G N 0.237 108.955 108.800 -0.137 0.000 2.857 85 G HA2 0.548 4.508 3.960 0.000 0.000 0.217 85 G HA3 0.548 4.508 3.960 0.000 0.000 0.217 85 G C -0.146 174.623 174.900 -0.218 0.000 1.357 85 G CA -0.113 44.885 45.100 -0.169 0.000 1.033 85 G HN 0.269 nan 8.290 nan 0.000 0.571 86 G N -1.263 107.252 108.800 -0.475 0.000 2.758 86 G HA2 0.374 4.334 3.960 0.000 0.000 0.686 86 G HA3 0.374 4.334 3.960 0.000 0.000 0.686 86 G C -0.372 174.377 174.900 -0.251 0.000 1.389 86 G CA 0.454 45.111 45.100 -0.739 0.000 0.845 86 G HN 1.532 nan 8.290 nan 0.000 0.572 87 E N -1.501 118.652 120.200 -0.079 0.000 2.429 87 E HA 0.697 5.048 4.350 0.000 0.000 0.280 87 E C 0.075 176.861 176.600 0.310 0.000 1.068 87 E CA -0.471 56.048 56.400 0.198 0.000 0.837 87 E CB 0.877 30.644 29.700 0.112 0.000 1.357 87 E HN 1.583 nan 8.360 nan 0.000 0.455 88 S N 0.154 116.051 115.700 0.328 0.000 2.645 88 S HA 0.228 4.698 4.470 0.000 0.000 0.266 88 S C 1.513 176.090 174.600 -0.037 0.000 1.258 88 S CA -0.304 58.030 58.200 0.223 0.000 0.990 88 S CB 0.277 63.753 63.200 0.461 0.000 0.967 88 S HN 0.776 nan 8.310 nan 0.000 0.556 89 I N -1.832 118.519 120.570 -0.365 0.000 2.916 89 I HA -0.022 4.148 4.170 0.000 0.000 0.267 89 I C 1.020 176.853 176.117 -0.474 0.000 1.263 89 I CA 0.925 61.942 61.300 -0.472 0.000 1.471 89 I CB -0.628 37.004 38.000 -0.614 0.000 1.089 89 I HN 0.611 nan 8.210 nan 0.000 0.468 90 Y N 2.698 122.964 120.300 -0.057 0.000 2.544 90 Y HA 0.438 4.988 4.550 0.000 0.000 0.286 90 Y C 1.454 177.359 175.900 0.008 0.000 1.141 90 Y CA -0.126 57.949 58.100 -0.043 0.000 1.299 90 Y CB -0.599 37.820 38.460 -0.069 0.000 1.030 90 Y HN 0.339 nan 8.280 nan 0.000 0.543 91 G N -0.215 108.649 108.800 0.107 0.000 3.439 91 G HA2 0.338 4.298 3.960 0.000 0.000 0.686 91 G HA3 0.338 4.298 3.960 0.000 0.000 0.686 91 G C 0.424 175.377 174.900 0.089 0.000 1.075 91 G CA -0.498 44.649 45.100 0.078 0.000 0.926 91 G HN 0.961 nan 8.290 nan 0.000 0.485 92 G N 1.925 110.743 108.800 0.030 0.000 2.596 92 G HA2 0.009 3.969 3.960 0.000 0.000 0.295 92 G HA3 0.009 3.969 3.960 0.000 0.000 0.295 92 G C 0.217 175.209 174.900 0.153 0.000 1.240 92 G CA 0.945 45.993 45.100 -0.087 0.000 0.985 92 G HN 1.835 nan 8.290 nan 0.000 0.555 93 Y N 0.698 121.107 120.300 0.182 0.000 2.453 93 Y HA 0.706 5.256 4.550 0.000 0.000 0.326 93 Y C 0.775 176.857 175.900 0.302 0.000 1.186 93 Y CA -1.112 57.109 58.100 0.203 0.000 1.200 93 Y CB 1.118 39.633 38.460 0.092 0.000 1.247 93 Y HN 0.693 nan 8.280 nan 0.000 0.482 94 F N -1.324 118.803 119.950 0.294 0.000 2.611 94 F HA 0.737 5.265 4.527 0.000 0.000 0.324 94 F C -0.560 175.314 175.800 0.122 0.000 1.061 94 F CA -1.703 56.391 58.000 0.157 0.000 0.954 94 F CB 1.179 40.251 39.000 0.120 0.000 1.301 94 F HN 0.197 nan 8.300 nan 0.000 0.482 95 K N 0.915 121.386 120.400 0.118 0.000 2.276 95 K HA 0.059 4.379 4.320 0.000 0.000 0.259 95 K C -0.780 175.856 176.600 0.061 0.000 1.001 95 K CA -0.364 55.972 56.287 0.082 0.000 0.927 95 K CB 0.223 32.653 32.500 -0.116 0.000 0.969 95 K HN 0.583 nan 8.250 nan 0.000 0.490 96 D N 2.803 123.341 120.400 0.230 0.000 2.389 96 D HA -0.068 4.572 4.640 0.000 0.000 0.263 96 D C 0.962 177.164 176.300 -0.163 0.000 1.255 96 D CA 0.571 54.502 54.000 -0.116 0.000 0.914 96 D CB 0.922 41.598 40.800 -0.207 0.000 1.116 96 D HN 0.544 nan 8.370 nan 0.000 0.502 97 E N 2.628 122.729 120.200 -0.164 0.000 2.047 97 E HA -0.206 4.144 4.350 0.000 0.000 0.191 97 E C 0.068 176.565 176.600 -0.172 0.000 0.987 97 E CA 0.979 57.327 56.400 -0.088 0.000 0.799 97 E CB 0.316 30.015 29.700 -0.001 0.000 0.752 97 E HN 0.669 nan 8.360 nan 0.000 0.449 98 N N -3.018 115.482 118.700 -0.332 0.000 3.348 98 N HA 0.083 4.824 4.740 0.000 0.000 0.233 98 N C -1.438 173.775 175.510 -0.495 0.000 1.440 98 N CA -0.655 52.200 53.050 -0.325 0.000 0.887 98 N CB -0.050 38.381 38.487 -0.094 0.000 1.410 98 N HN -0.080 nan 8.380 nan 0.000 0.502 99 F N 0.204 120.186 119.950 0.053 0.000 2.908 99 F HA 0.531 5.059 4.527 0.000 0.000 0.328 99 F C 1.068 176.891 175.800 0.038 0.000 1.211 99 F CA -0.705 57.327 58.000 0.055 0.000 1.291 99 F CB -0.246 38.787 39.000 0.056 0.000 0.962 99 F HN 0.450 nan 8.300 nan 0.000 0.505 100 I N -0.371 120.274 120.570 0.125 0.000 2.179 100 I HA -0.200 3.971 4.170 0.000 0.000 0.242 100 I C 1.010 177.157 176.117 0.049 0.000 1.088 100 I CA 1.048 62.393 61.300 0.075 0.000 1.357 100 I CB -0.136 37.882 38.000 0.029 0.000 1.051 100 I HN -0.001 nan 8.210 nan 0.000 0.409 101 L N 2.046 123.287 121.223 0.030 0.000 2.397 101 L HA 0.163 4.503 4.340 0.000 0.000 0.271 101 L C 0.109 176.972 176.870 -0.012 0.000 1.148 101 L CA -0.170 54.657 54.840 -0.022 0.000 0.825 101 L CB 0.356 42.386 42.059 -0.048 0.000 1.117 101 L HN 0.053 nan 8.230 nan 0.000 0.456 102 K N 1.074 121.457 120.400 -0.028 0.000 2.185 102 K HA 0.339 4.659 4.320 0.000 0.000 0.240 102 K C -0.566 175.997 176.600 -0.063 0.000 0.983 102 K CA -0.856 55.439 56.287 0.013 0.000 0.873 102 K CB 0.933 33.469 32.500 0.060 0.000 1.118 102 K HN 0.380 nan 8.250 nan 0.000 0.441 103 H N 1.283 120.400 119.070 0.079 0.000 2.799 103 H HA 0.044 4.600 4.556 0.000 0.000 0.225 103 H C 0.204 175.569 175.328 0.061 0.000 1.904 103 H CA -0.111 55.982 56.048 0.075 0.000 1.344 103 H CB -0.222 29.604 29.762 0.105 0.000 1.744 103 H HN 0.466 nan 8.280 nan 0.000 0.542 104 D N 0.846 121.306 120.400 0.100 0.000 2.363 104 D HA -0.001 4.639 4.640 0.000 0.000 0.214 104 D C 0.558 176.885 176.300 0.045 0.000 1.093 104 D CA -0.253 53.789 54.000 0.071 0.000 0.837 104 D CB 0.689 41.512 40.800 0.039 0.000 0.948 104 D HN 0.572 nan 8.370 nan 0.000 0.507 105 R N -1.481 119.044 120.500 0.042 0.000 2.712 105 R HA 0.662 5.002 4.340 0.000 0.000 0.272 105 R C -1.270 175.006 176.300 -0.040 0.000 1.032 105 R CA -0.967 55.132 56.100 -0.002 0.000 0.874 105 R CB 0.612 30.914 30.300 0.004 0.000 1.256 105 R HN -0.124 nan 8.270 nan 0.000 0.468 106 A N 0.907 123.624 122.820 -0.171 0.000 2.406 106 A HA 0.495 4.816 4.320 0.000 0.000 0.243 106 A C -0.228 177.202 177.584 -0.255 0.000 1.082 106 A CA 0.174 51.960 52.037 -0.419 0.000 0.786 106 A CB -0.622 17.833 19.000 -0.909 0.000 1.029 106 A HN 0.786 nan 8.150 nan 0.000 0.495 107 F N -2.407 117.593 119.950 0.082 0.000 2.926 107 F HA -0.165 4.362 4.527 0.000 0.000 0.288 107 F C 0.253 176.087 175.800 0.057 0.000 0.756 107 F CA 0.164 58.228 58.000 0.107 0.000 1.292 107 F CB -2.525 36.590 39.000 0.192 0.000 1.482 107 F HN 0.429 nan 8.300 nan 0.000 0.400 108 L N 0.705 122.005 121.223 0.129 0.000 2.418 108 L HA 0.481 4.821 4.340 0.000 0.000 0.265 108 L C 0.281 177.070 176.870 -0.135 0.000 1.143 108 L CA -0.798 54.040 54.840 -0.004 0.000 0.809 108 L CB 1.001 43.031 42.059 -0.049 0.000 1.124 108 L HN 0.119 nan 8.230 nan 0.000 0.456 109 L N 2.079 123.089 121.223 -0.356 0.000 2.307 109 L HA 0.611 4.951 4.340 0.000 0.000 0.284 109 L C -0.364 176.004 176.870 -0.835 0.000 1.023 109 L CA 0.532 54.990 54.840 -0.637 0.000 0.810 109 L CB 1.654 43.087 42.059 -1.043 0.000 1.231 109 L HN 0.560 nan 8.230 nan 0.000 0.423 110 S N 4.700 119.988 115.700 -0.687 0.000 2.556 110 S HA 0.691 5.161 4.470 0.000 0.000 0.271 110 S C -0.976 173.583 174.600 -0.069 0.000 1.135 110 S CA -0.827 57.118 58.200 -0.426 0.000 0.858 110 S CB 1.149 63.897 63.200 -0.753 0.000 1.114 110 S HN 0.566 nan 8.310 nan 0.000 0.468 111 M N 3.275 123.100 119.600 0.376 0.000 2.162 111 M HA 0.401 4.881 4.480 0.000 0.000 0.356 111 M C 0.609 177.298 176.300 0.649 0.000 1.303 111 M CA -0.372 55.209 55.300 0.468 0.000 1.116 111 M CB 0.313 33.088 32.600 0.291 0.000 1.632 111 M HN 0.817 nan 8.290 nan 0.000 0.469 112 A N 4.824 128.000 122.820 0.593 0.000 2.406 112 A HA 0.473 4.793 4.320 0.000 0.000 0.243 112 A C 0.270 178.044 177.584 0.316 0.000 1.082 112 A CA -0.122 52.191 52.037 0.460 0.000 0.786 112 A CB 0.017 19.166 19.000 0.249 0.000 1.029 112 A HN 0.979 nan 8.150 nan 0.000 0.495 113 N N -1.235 117.616 118.700 0.251 0.000 3.106 113 N HA 0.433 5.173 4.740 0.000 0.000 0.253 113 N C -0.824 174.679 175.510 -0.011 0.000 1.506 113 N CA -0.718 52.348 53.050 0.027 0.000 0.876 113 N CB 0.733 39.199 38.487 -0.035 0.000 1.452 113 N HN 0.534 nan 8.380 nan 0.000 0.542 114 R N -0.436 120.001 120.500 -0.105 0.000 2.816 114 R HA 0.670 5.010 4.340 0.000 0.000 0.382 114 R C 0.080 176.339 176.300 -0.069 0.000 1.140 114 R CA -0.306 55.755 56.100 -0.064 0.000 1.050 114 R CB -0.229 30.040 30.300 -0.052 0.000 1.396 114 R HN 0.952 nan 8.270 nan 0.000 0.583 115 G N 1.241 109.985 108.800 -0.094 0.000 2.408 115 G HA2 -0.133 3.828 3.960 0.000 0.000 0.682 115 G HA3 -0.133 3.828 3.960 0.000 0.000 0.682 115 G C -1.389 173.432 174.900 -0.131 0.000 1.303 115 G CA -1.205 43.835 45.100 -0.099 0.000 0.966 115 G HN 0.157 nan 8.290 nan 0.000 0.560 116 K N 0.371 120.684 120.400 -0.145 0.000 2.489 116 K HA 0.278 4.598 4.320 0.000 0.000 0.278 116 K C 0.484 176.965 176.600 -0.199 0.000 1.000 116 K CA 0.842 56.965 56.287 -0.275 0.000 1.012 116 K CB -0.121 32.164 32.500 -0.357 0.000 0.903 116 K HN 0.825 nan 8.250 nan 0.000 0.485 117 H N -0.473 118.579 119.070 -0.031 0.000 2.819 117 H HA -0.141 4.415 4.556 0.000 0.000 0.315 117 H C -0.274 175.001 175.328 -0.088 0.000 1.242 117 H CA 0.733 56.747 56.048 -0.057 0.000 1.157 117 H CB -1.675 28.089 29.762 0.003 0.000 1.451 117 H HN 0.772 nan 8.280 nan 0.000 0.430 118 T N -2.686 111.776 114.554 -0.153 0.000 3.487 118 T HA 0.230 4.581 4.350 0.000 0.000 0.287 118 T C 0.093 174.410 174.700 -0.639 0.000 1.004 118 T CA -0.711 61.115 62.100 -0.458 0.000 0.977 118 T CB -0.027 68.543 68.868 -0.497 0.000 1.180 118 T HN 0.312 nan 8.240 nan 0.000 0.490 119 N N 0.761 119.198 118.700 -0.437 0.000 2.470 119 N HA 0.556 5.296 4.740 0.000 0.000 0.268 119 N C 1.007 176.426 175.510 -0.152 0.000 1.136 119 N CA 0.071 52.843 53.050 -0.462 0.000 0.961 119 N CB 1.181 39.043 38.487 -1.041 0.000 1.067 119 N HN 0.476 nan 8.380 nan 0.000 0.468 120 G N 0.008 108.870 108.800 0.103 0.000 2.844 120 G HA2 0.080 4.040 3.960 0.000 0.000 0.204 120 G HA3 0.080 4.040 3.960 0.000 0.000 0.204 120 G C 0.560 175.718 174.900 0.429 0.000 1.815 120 G CA 0.038 45.376 45.100 0.396 0.000 0.739 120 G HN 0.534 nan 8.290 nan 0.000 0.807 121 S N -0.763 115.154 115.700 0.362 0.000 2.549 121 S HA 0.264 4.734 4.470 0.000 0.000 0.225 121 S C 0.704 175.656 174.600 0.587 0.000 1.039 121 S CA -0.135 58.358 58.200 0.487 0.000 0.942 121 S CB 0.127 63.632 63.200 0.508 0.000 0.881 121 S HN 0.411 nan 8.310 nan 0.000 0.503 122 Q N 1.289 121.299 119.800 0.350 0.000 2.352 122 Q HA 0.505 4.845 4.340 0.000 0.000 0.260 122 Q C -0.790 175.422 176.000 0.353 0.000 0.976 122 Q CA -0.105 55.836 55.803 0.230 0.000 0.881 122 Q CB 0.528 29.332 28.738 0.110 0.000 1.235 122 Q HN 0.655 nan 8.270 nan 0.000 0.419 123 F N -0.265 119.867 119.950 0.303 0.000 2.643 123 F HA 0.794 5.322 4.527 0.001 0.000 0.314 123 F C -1.234 174.742 175.800 0.295 0.000 1.096 123 F CA -1.720 56.467 58.000 0.311 0.000 0.953 123 F CB 1.082 40.294 39.000 0.353 0.000 1.345 123 F HN 0.445 nan 8.300 nan 0.000 0.468 124 F N -0.421 119.673 119.950 0.241 0.000 2.626 124 F HA 0.860 5.388 4.527 0.001 0.000 0.311 124 F C -1.790 174.157 175.800 0.245 0.000 1.088 124 F CA -1.682 56.392 58.000 0.123 0.000 0.949 124 F CB 1.697 40.631 39.000 -0.109 0.000 1.322 124 F HN 0.459 nan 8.300 nan 0.000 0.461 125 I N 2.143 122.928 120.570 0.357 0.000 2.389 125 I HA 0.360 4.530 4.170 0.000 0.000 0.288 125 I C -0.064 176.191 176.117 0.230 0.000 0.999 125 I CA -0.776 60.673 61.300 0.249 0.000 1.129 125 I CB 2.324 40.558 38.000 0.391 0.000 1.288 125 I HN 0.867 nan 8.210 nan 0.000 0.444 126 T N 0.403 115.050 114.554 0.155 0.000 2.882 126 T HA 0.267 4.617 4.350 0.000 0.000 0.287 126 T C 0.797 175.515 174.700 0.031 0.000 1.014 126 T CA -0.239 61.925 62.100 0.105 0.000 1.049 126 T CB 1.392 70.339 68.868 0.132 0.000 1.001 126 T HN 0.752 nan 8.240 nan 0.000 0.525 127 T N -2.638 111.901 114.554 -0.025 0.000 3.091 127 T HA 0.338 4.689 4.350 0.000 0.000 0.277 127 T C 0.065 174.638 174.700 -0.211 0.000 0.996 127 T CA -0.643 61.350 62.100 -0.177 0.000 0.897 127 T CB -0.408 68.459 68.868 -0.003 0.000 1.109 127 T HN 1.021 nan 8.240 nan 0.000 0.534 128 K N -0.413 119.941 120.400 -0.077 0.000 2.579 128 K HA 0.661 4.981 4.320 0.000 0.000 0.284 128 K C -3.592 173.038 176.600 0.049 0.000 0.990 128 K CA -2.146 54.119 56.287 -0.036 0.000 0.880 128 K CB 0.448 32.967 32.500 0.031 0.000 1.488 128 K HN -0.271 nan 8.250 nan 0.000 0.425 129 P HA 0.056 nan 4.420 nan 0.000 0.266 129 P C -1.004 176.402 177.300 0.178 0.000 1.195 129 P CA -0.168 62.994 63.100 0.104 0.000 0.768 129 P CB 0.740 32.483 31.700 0.070 0.000 0.838 130 A N 4.601 127.554 122.820 0.221 0.000 3.370 130 A HA 0.351 4.671 4.320 0.000 0.000 0.295 130 A C -1.766 175.893 177.584 0.125 0.000 1.030 130 A CA -0.823 51.355 52.037 0.235 0.000 0.883 130 A CB 0.379 19.517 19.000 0.230 0.000 1.191 130 A HN 0.326 nan 8.150 nan 0.000 0.507 131 P HA -0.202 nan 4.420 nan 0.000 0.222 131 P C 1.075 178.443 177.300 0.113 0.000 1.147 131 P CA 1.290 64.480 63.100 0.150 0.000 0.790 131 P CB -0.275 31.502 31.700 0.129 0.000 0.780 132 H N -0.249 118.828 119.070 0.012 0.000 2.518 132 H HA 0.024 4.580 4.556 0.000 0.000 0.289 132 H C 1.550 176.869 175.328 -0.016 0.000 1.051 132 H CA 0.561 56.601 56.048 -0.013 0.000 1.280 132 H CB -1.270 28.469 29.762 -0.038 0.000 1.380 132 H HN 0.199 nan 8.280 nan 0.000 0.566 133 L N 0.888 121.846 121.223 -0.442 0.000 2.558 133 L HA 0.075 4.416 4.340 0.000 0.000 0.225 133 L C -0.066 176.765 176.870 -0.066 0.000 1.128 133 L CA -0.118 54.507 54.840 -0.357 0.000 0.868 133 L CB -0.095 41.534 42.059 -0.716 0.000 1.006 133 L HN -0.033 nan 8.230 nan 0.000 0.454 134 D N 1.298 121.736 120.400 0.064 0.000 2.425 134 D HA 0.252 4.892 4.640 0.000 0.000 0.247 134 D C 1.271 177.520 176.300 -0.086 0.000 1.147 134 D CA 1.144 55.242 54.000 0.163 0.000 0.879 134 D CB 1.201 42.088 40.800 0.146 0.000 1.179 134 D HN 0.247 nan 8.370 nan 0.000 0.456 135 G N 0.982 109.618 108.800 -0.274 0.000 2.159 135 G HA2 -0.285 3.675 3.960 0.000 0.000 0.256 135 G HA3 -0.285 3.675 3.960 0.000 0.000 0.256 135 G C 0.832 174.917 174.900 -1.358 0.000 0.977 135 G CA 0.382 44.863 45.100 -1.032 0.000 0.652 135 G HN 0.448 nan 8.290 nan 0.000 0.531 136 V N -0.456 119.060 119.914 -0.663 0.000 2.996 136 V HA 0.317 4.437 4.120 0.000 0.000 0.235 136 V C 0.905 176.851 176.094 -0.246 0.000 1.205 136 V CA 0.889 62.924 62.300 -0.441 0.000 1.225 136 V CB 0.144 31.799 31.823 -0.280 0.000 0.995 136 V HN 0.462 nan 8.190 nan 0.000 0.484 137 H N 0.079 119.360 119.070 0.352 0.000 2.489 137 H HA 0.507 5.063 4.556 0.000 0.000 0.343 137 H C -0.878 174.818 175.328 0.612 0.000 1.086 137 H CA -0.549 55.813 56.048 0.524 0.000 1.198 137 H CB 2.349 32.494 29.762 0.639 0.000 1.490 137 H HN 0.021 nan 8.280 nan 0.000 0.504 138 V N 4.421 124.644 119.914 0.514 0.000 2.439 138 V HA -0.007 4.113 4.120 0.000 0.000 0.271 138 V C 0.561 176.847 176.094 0.320 0.000 1.040 138 V CA -0.357 62.121 62.300 0.297 0.000 1.002 138 V CB 0.640 32.498 31.823 0.057 0.000 1.000 138 V HN 0.415 nan 8.190 nan 0.000 0.477 139 V N 7.220 127.235 119.914 0.169 0.000 2.488 139 V HA 0.260 4.381 4.120 0.000 0.000 0.277 139 V C 0.474 176.675 176.094 0.179 0.000 1.046 139 V CA 0.126 62.431 62.300 0.007 0.000 0.986 139 V CB 0.589 32.286 31.823 -0.209 0.000 0.989 139 V HN 0.930 nan 8.190 nan 0.000 0.475 140 F N 1.672 121.607 119.950 -0.026 0.000 2.899 140 F HA 0.815 5.342 4.527 0.000 0.000 0.337 140 F C 0.460 176.254 175.800 -0.010 0.000 1.129 140 F CA -0.028 57.994 58.000 0.037 0.000 1.128 140 F CB 0.327 39.320 39.000 -0.011 0.000 1.154 140 F HN 0.587 nan 8.300 nan 0.000 0.531 141 G N 0.834 109.344 108.800 -0.484 0.000 2.506 141 G HA2 0.549 4.509 3.960 0.000 0.000 0.292 141 G HA3 0.549 4.509 3.960 0.000 0.000 0.292 141 G C -2.772 171.842 174.900 -0.476 0.000 1.425 141 G CA -0.798 43.844 45.100 -0.762 0.000 0.788 141 G HN 0.278 nan 8.290 nan 0.000 0.490 142 L N -0.045 120.914 121.223 -0.440 0.000 2.472 142 L HA 0.744 5.084 4.340 0.000 0.000 0.260 142 L C -0.642 176.207 176.870 -0.036 0.000 0.963 142 L CA -0.743 54.035 54.840 -0.104 0.000 0.829 142 L CB 2.223 44.306 42.059 0.040 0.000 1.348 142 L HN 0.529 nan 8.230 nan 0.000 0.408 143 V N 5.672 125.632 119.914 0.076 0.000 2.555 143 V HA 0.172 4.292 4.120 0.000 0.000 0.286 143 V C 1.184 177.269 176.094 -0.015 0.000 1.044 143 V CA 0.598 62.849 62.300 -0.082 0.000 1.026 143 V CB 0.976 32.711 31.823 -0.147 0.000 0.981 143 V HN 0.795 nan 8.190 nan 0.000 0.480 144 I N 1.323 121.767 120.570 -0.209 0.000 4.227 144 I HA 0.505 4.675 4.170 0.000 0.000 0.334 144 I C 0.539 176.450 176.117 -0.344 0.000 1.341 144 I CA 0.214 61.474 61.300 -0.066 0.000 1.123 144 I CB 0.792 38.765 38.000 -0.046 0.000 1.097 144 I HN 0.501 nan 8.210 nan 0.000 0.399 145 S N 0.323 115.540 115.700 -0.805 0.000 2.547 145 S HA 0.624 5.094 4.470 0.000 0.000 0.270 145 S C 0.106 174.078 174.600 -1.047 0.000 1.150 145 S CA 0.175 57.814 58.200 -0.935 0.000 0.850 145 S CB 1.451 64.381 63.200 -0.449 0.000 1.118 145 S HN 1.018 nan 8.310 nan 0.000 0.461 146 G N 2.150 110.390 108.800 -0.934 0.000 2.140 146 G HA2 -0.192 3.768 3.960 0.000 0.000 0.211 146 G HA3 -0.192 3.768 3.960 0.000 0.000 0.211 146 G C 0.284 174.806 174.900 -0.631 0.000 1.013 146 G CA 0.258 44.976 45.100 -0.637 0.000 0.705 146 G HN 0.622 nan 8.290 nan 0.000 0.508 147 F N 1.584 121.304 119.950 -0.383 0.000 2.171 147 F HA -0.028 4.499 4.527 0.000 0.000 0.300 147 F C 2.664 178.318 175.800 -0.243 0.000 1.090 147 F CA 1.543 59.232 58.000 -0.518 0.000 1.293 147 F CB -0.207 38.468 39.000 -0.542 0.000 1.013 147 F HN 0.454 nan 8.300 nan 0.000 0.486 148 E N 0.984 121.174 120.200 -0.017 0.000 2.150 148 E HA -0.124 4.226 4.350 0.000 0.000 0.193 148 E C 2.100 178.681 176.600 -0.031 0.000 0.985 148 E CA 1.499 57.900 56.400 0.001 0.000 0.814 148 E CB -1.231 28.466 29.700 -0.004 0.000 0.752 148 E HN 0.315 nan 8.360 nan 0.000 0.466 149 V N 1.902 121.762 119.914 -0.090 0.000 2.307 149 V HA -0.228 3.892 4.120 0.000 0.000 0.245 149 V C 2.661 178.703 176.094 -0.087 0.000 1.045 149 V CA 1.467 63.711 62.300 -0.093 0.000 1.024 149 V CB -0.490 31.255 31.823 -0.129 0.000 0.651 149 V HN 0.172 nan 8.190 nan 0.000 0.449 150 I N 0.344 120.864 120.570 -0.084 0.000 2.163 150 I HA -0.246 3.924 4.170 0.000 0.000 0.243 150 I C 2.570 178.719 176.117 0.053 0.000 1.085 150 I CA 1.859 63.152 61.300 -0.011 0.000 1.347 150 I CB -1.261 36.798 38.000 0.100 0.000 1.044 150 I HN 0.522 nan 8.210 nan 0.000 0.408 151 E N 0.739 120.993 120.200 0.090 0.000 2.058 151 E HA -0.302 4.048 4.350 0.000 0.000 0.194 151 E C 2.252 178.882 176.600 0.049 0.000 0.997 151 E CA 1.692 58.152 56.400 0.101 0.000 0.801 151 E CB -0.081 29.679 29.700 0.101 0.000 0.746 151 E HN 0.514 nan 8.360 nan 0.000 0.450 152 Q N 0.205 120.016 119.800 0.019 0.000 2.050 152 Q HA -0.181 4.159 4.340 0.000 0.000 0.202 152 Q C 2.341 178.338 176.000 -0.005 0.000 0.980 152 Q CA 1.859 57.666 55.803 0.006 0.000 0.840 152 Q CB -0.100 28.634 28.738 -0.006 0.000 0.898 152 Q HN 0.402 nan 8.270 nan 0.000 0.424 153 I N 0.542 121.086 120.570 -0.044 0.000 2.163 153 I HA -0.284 3.886 4.170 0.000 0.000 0.243 153 I C 2.455 178.557 176.117 -0.025 0.000 1.085 153 I CA 1.416 62.672 61.300 -0.074 0.000 1.347 153 I CB -0.410 37.455 38.000 -0.225 0.000 1.044 153 I HN 0.366 nan 8.210 nan 0.000 0.408 154 E N 1.026 121.227 120.200 0.001 0.000 2.209 154 E HA -0.235 4.115 4.350 0.000 0.000 0.196 154 E C 1.400 178.026 176.600 0.043 0.000 0.993 154 E CA 1.076 57.499 56.400 0.037 0.000 0.819 154 E CB 0.021 29.764 29.700 0.072 0.000 0.745 154 E HN 0.510 nan 8.360 nan 0.000 0.477 155 N N 0.215 118.939 118.700 0.039 0.000 2.336 155 N HA 0.059 4.800 4.740 0.000 0.000 0.189 155 N C -0.088 175.449 175.510 0.045 0.000 1.113 155 N CA 0.014 53.090 53.050 0.043 0.000 0.858 155 N CB 0.418 38.930 38.487 0.042 0.000 0.970 155 N HN 0.146 nan 8.380 nan 0.000 0.471 156 L N 1.477 122.725 121.223 0.043 0.000 2.456 156 L HA 0.064 4.404 4.340 0.000 0.000 0.272 156 L C 0.891 177.805 176.870 0.074 0.000 1.189 156 L CA -0.279 54.596 54.840 0.058 0.000 0.846 156 L CB 0.321 42.412 42.059 0.053 0.000 1.111 156 L HN -0.156 nan 8.230 nan 0.000 0.475 157 K N 1.976 122.444 120.400 0.113 0.000 2.484 157 K HA 0.094 4.414 4.320 0.000 0.000 0.280 157 K C -0.149 176.544 176.600 0.154 0.000 1.013 157 K CA 0.138 56.526 56.287 0.168 0.000 1.029 157 K CB 0.466 33.112 32.500 0.243 0.000 0.902 157 K HN 0.708 nan 8.250 nan 0.000 0.481 158 T N 0.388 114.978 114.554 0.060 0.000 2.926 158 T HA 0.462 4.812 4.350 0.000 0.000 0.289 158 T C -0.353 174.187 174.700 -0.267 0.000 1.054 158 T CA -1.015 60.983 62.100 -0.171 0.000 1.015 158 T CB 1.255 70.066 68.868 -0.094 0.000 1.167 158 T HN 0.590 nan 8.240 nan 0.000 0.526 159 D N 0.436 120.513 120.400 -0.539 0.000 2.469 159 D HA 0.472 5.112 4.640 0.000 0.000 0.278 159 D C 1.707 177.959 176.300 -0.080 0.000 1.231 159 D CA -0.319 53.517 54.000 -0.274 0.000 1.075 159 D CB -0.169 40.433 40.800 -0.331 0.000 1.121 159 D HN 0.661 nan 8.370 nan 0.000 0.571 160 A N -0.742 122.069 122.820 -0.014 0.000 2.019 160 A HA 0.134 4.454 4.320 0.000 0.000 0.219 160 A C 1.982 179.558 177.584 -0.013 0.000 1.164 160 A CA 1.809 53.848 52.037 0.002 0.000 0.644 160 A CB -1.120 17.891 19.000 0.019 0.000 0.805 160 A HN 0.663 nan 8.150 nan 0.000 0.449 161 A N -1.411 121.391 122.820 -0.030 0.000 2.370 161 A HA 0.452 4.772 4.320 0.000 0.000 0.238 161 A C 1.072 178.640 177.584 -0.027 0.000 1.289 161 A CA 0.795 52.820 52.037 -0.020 0.000 0.885 161 A CB -0.683 18.309 19.000 -0.014 0.000 0.961 161 A HN 0.867 nan 8.150 nan 0.000 0.499 162 S N -1.284 114.390 115.700 -0.044 0.000 3.561 162 S HA -0.196 4.274 4.470 0.000 0.000 0.318 162 S C 0.402 174.963 174.600 -0.066 0.000 1.181 162 S CA 1.236 59.410 58.200 -0.043 0.000 0.916 162 S CB -1.374 61.820 63.200 -0.009 0.000 0.966 162 S HN 0.905 nan 8.310 nan 0.000 0.550 163 R N 1.649 122.085 120.500 -0.108 0.000 2.221 163 R HA 0.356 4.696 4.340 0.000 0.000 0.327 163 R C -2.960 173.209 176.300 -0.218 0.000 1.033 163 R CA -2.018 54.018 56.100 -0.107 0.000 0.887 163 R CB 0.591 30.844 30.300 -0.079 0.000 1.057 163 R HN -0.021 nan 8.270 nan 0.000 0.455 164 P HA -0.018 nan 4.420 nan 0.000 0.268 164 P C -0.526 176.708 177.300 -0.110 0.000 1.204 164 P CA 0.188 63.234 63.100 -0.089 0.000 0.768 164 P CB 0.316 32.031 31.700 0.025 0.000 0.842 165 Y N 1.854 122.181 120.300 0.045 0.000 2.314 165 Y HA 0.013 4.563 4.550 0.000 0.000 0.293 165 Y C 1.729 177.655 175.900 0.043 0.000 1.129 165 Y CA 0.950 59.074 58.100 0.041 0.000 1.201 165 Y CB -0.820 37.660 38.460 0.032 0.000 0.999 165 Y HN 0.314 nan 8.280 nan 0.000 0.541 166 A N 0.367 123.304 122.820 0.194 0.000 2.313 166 A HA 0.149 4.469 4.320 0.000 0.000 0.261 166 A C -0.576 177.072 177.584 0.107 0.000 1.090 166 A CA -0.348 51.767 52.037 0.130 0.000 0.807 166 A CB -0.089 18.973 19.000 0.104 0.000 1.055 166 A HN 0.269 nan 8.150 nan 0.000 0.492 167 D N 0.401 120.856 120.400 0.091 0.000 2.336 167 D HA 0.375 5.015 4.640 0.000 0.000 0.249 167 D C -0.809 175.548 176.300 0.095 0.000 1.213 167 D CA 0.191 54.244 54.000 0.088 0.000 0.870 167 D CB 0.418 41.262 40.800 0.073 0.000 1.076 167 D HN 0.120 nan 8.370 nan 0.000 0.483 168 V N 5.219 125.207 119.914 0.123 0.000 2.293 168 V HA 0.407 4.527 4.120 0.000 0.000 0.275 168 V C 0.154 176.371 176.094 0.205 0.000 1.021 168 V CA -0.801 61.590 62.300 0.152 0.000 0.815 168 V CB 0.701 32.627 31.823 0.173 0.000 1.025 168 V HN 0.414 nan 8.190 nan 0.000 0.448 169 R N 3.720 124.314 120.500 0.157 0.000 2.494 169 R HA 0.601 4.941 4.340 0.000 0.000 0.305 169 R C -1.036 175.341 176.300 0.128 0.000 0.959 169 R CA -0.492 55.686 56.100 0.130 0.000 0.864 169 R CB 1.869 32.220 30.300 0.085 0.000 1.159 169 R HN 0.429 nan 8.270 nan 0.000 0.446 170 V N 7.360 127.322 119.914 0.080 0.000 2.352 170 V HA 0.085 4.205 4.120 0.000 0.000 0.253 170 V C 1.162 177.255 176.094 -0.002 0.000 1.083 170 V CA 0.041 62.334 62.300 -0.011 0.000 0.993 170 V CB 0.428 32.080 31.823 -0.286 0.000 1.111 170 V HN 0.797 nan 8.190 nan 0.000 0.490 171 I N 2.846 123.441 120.570 0.042 0.000 2.876 171 I HA 0.145 4.315 4.170 0.000 0.000 0.264 171 I C 0.655 176.795 176.117 0.038 0.000 1.204 171 I CA 1.117 62.442 61.300 0.041 0.000 1.485 171 I CB 0.214 38.245 38.000 0.053 0.000 1.103 171 I HN 0.727 nan 8.210 nan 0.000 0.446 172 D N -1.353 119.077 120.400 0.050 0.000 2.623 172 D HA 0.506 5.146 4.640 0.000 0.000 0.241 172 D C -1.489 174.821 176.300 0.017 0.000 1.241 172 D CA -0.234 53.799 54.000 0.056 0.000 0.788 172 D CB 1.749 42.623 40.800 0.123 0.000 1.413 172 D HN 0.145 nan 8.370 nan 0.000 0.429 173 C N 0.106 119.361 119.300 -0.075 0.000 3.312 173 C HA 1.100 5.560 4.460 0.000 0.000 0.332 173 C C -0.129 174.688 174.990 -0.288 0.000 1.340 173 C CA -0.173 58.698 59.018 -0.246 0.000 1.265 173 C CB 1.135 28.916 27.740 0.068 0.000 1.563 173 C HN 0.879 nan 8.230 nan 0.000 0.471 174 G N -0.289 108.298 108.800 -0.356 0.000 2.368 174 G HA2 0.591 4.552 3.960 0.000 0.000 0.293 174 G HA3 0.591 4.552 3.960 0.000 0.000 0.293 174 G C -1.960 172.979 174.900 0.064 0.000 1.467 174 G CA -0.264 44.804 45.100 -0.053 0.000 0.804 174 G HN 1.397 nan 8.290 nan 0.000 0.535 175 V N 0.437 120.405 119.914 0.091 0.000 2.539 175 V HA 0.582 4.703 4.120 0.000 0.000 0.292 175 V C 0.216 176.381 176.094 0.118 0.000 1.045 175 V CA -0.553 61.810 62.300 0.104 0.000 0.945 175 V CB 1.305 33.163 31.823 0.058 0.000 0.993 175 V HN 0.630 nan 8.190 nan 0.000 0.464 176 L N 3.146 124.436 121.223 0.111 0.000 2.416 176 L HA 0.682 5.023 4.340 0.000 0.000 0.262 176 L C 0.850 177.750 176.870 0.049 0.000 1.093 176 L CA 0.412 55.299 54.840 0.079 0.000 0.801 176 L CB 0.928 43.025 42.059 0.062 0.000 1.191 176 L HN 0.813 nan 8.230 nan 0.000 0.459 177 A N 0.000 122.839 122.820 0.032 0.000 2.254 177 A HA 0.000 4.320 4.320 0.000 0.000 0.244 177 A CA 0.000 52.050 52.037 0.022 0.000 0.836 177 A CB 0.000 19.008 19.000 0.014 0.000 0.831 177 A HN 0.000 nan 8.150 nan 0.000 0.486