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_B 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 0.000 174.614 174.600 0.023 0.000 1.055 6 S CA 0.000 58.232 58.200 0.054 0.000 1.107 6 S CB 0.000 63.251 63.200 0.085 0.000 0.593 7 P HA 0.465 nan 4.420 nan 0.000 0.272 7 P C -0.997 176.306 177.300 0.006 0.000 1.223 7 P CA -0.253 62.859 63.100 0.022 0.000 0.784 7 P CB 0.257 31.979 31.700 0.037 0.000 0.923 8 Q N -0.034 119.787 119.800 0.035 0.000 2.451 8 Q HA 0.694 5.032 4.340 -0.004 0.000 0.281 8 Q C -0.973 175.094 176.000 0.112 0.000 1.099 8 Q CA -0.718 55.116 55.803 0.053 0.000 0.806 8 Q CB 2.254 31.012 28.738 0.033 0.000 1.419 8 Q HN 0.715 nan 8.270 nan 0.000 0.427 9 C N -1.325 118.080 119.300 0.175 0.000 3.321 9 C HA 0.769 5.227 4.460 -0.004 0.000 0.329 9 C C -1.117 174.062 174.990 0.315 0.000 1.394 9 C CA -0.888 58.267 59.018 0.227 0.000 1.291 9 C CB 1.797 29.663 27.740 0.210 0.000 1.606 9 C HN 1.052 nan 8.230 nan 0.000 0.463 10 H N -0.637 118.573 119.070 0.234 0.000 2.895 10 H HA 0.787 5.340 4.556 -0.004 0.000 0.373 10 H C -2.282 173.315 175.328 0.448 0.000 1.174 10 H CA -0.814 55.350 56.048 0.194 0.000 1.144 10 H CB 1.427 31.241 29.762 0.086 0.000 1.793 10 H HN 0.577 nan 8.280 nan 0.000 0.551 11 F N 0.969 121.050 119.950 0.218 0.000 2.508 11 F HA 0.317 4.841 4.527 -0.004 0.000 0.325 11 F C -0.179 175.759 175.800 0.229 0.000 1.090 11 F CA -0.908 57.205 58.000 0.188 0.000 0.945 11 F CB 1.955 41.130 39.000 0.291 0.000 1.156 11 F HN 0.504 nan 8.300 nan 0.000 0.463 12 D N 3.322 123.954 120.400 0.388 0.000 2.278 12 D HA 0.438 5.076 4.640 -0.004 0.000 0.245 12 D C -0.370 176.049 176.300 0.199 0.000 1.052 12 D CA -0.094 54.058 54.000 0.254 0.000 0.834 12 D CB 2.180 43.103 40.800 0.204 0.000 1.194 12 D HN 0.055 nan 8.370 nan 0.000 0.481 13 I N 1.514 122.185 120.570 0.169 0.000 2.441 13 I HA 0.290 4.458 4.170 -0.004 0.000 0.295 13 I C 0.375 176.557 176.117 0.110 0.000 0.994 13 I CA -0.579 60.819 61.300 0.163 0.000 1.144 13 I CB 1.508 39.611 38.000 0.172 0.000 1.314 13 I HN 0.176 nan 8.210 nan 0.000 0.445 14 E N 5.892 126.155 120.200 0.105 0.000 2.187 14 E HA 0.575 4.922 4.350 -0.004 0.000 0.268 14 E C -0.945 175.706 176.600 0.085 0.000 0.896 14 E CA -0.626 55.822 56.400 0.080 0.000 0.766 14 E CB 2.911 32.651 29.700 0.067 0.000 1.142 14 E HN 0.411 nan 8.360 nan 0.000 0.408 15 I N 3.333 123.944 120.570 0.069 0.000 2.330 15 I HA 0.163 4.331 4.170 -0.004 0.000 0.289 15 I C -0.264 175.889 176.117 0.059 0.000 1.001 15 I CA -0.639 60.703 61.300 0.068 0.000 1.193 15 I CB 0.893 38.927 38.000 0.057 0.000 1.345 15 I HN 0.511 nan 8.210 nan 0.000 0.461 16 N N 6.183 124.921 118.700 0.063 0.000 2.727 16 N HA -0.236 4.502 4.740 -0.004 0.000 0.249 16 N C 0.424 175.961 175.510 0.046 0.000 1.048 16 N CA 0.833 53.916 53.050 0.054 0.000 0.714 16 N CB -0.712 37.805 38.487 0.051 0.000 0.959 16 N HN 0.729 nan 8.380 nan 0.000 0.544 17 R N -3.100 117.429 120.500 0.048 0.000 3.840 17 R HA -0.181 4.157 4.340 -0.004 0.000 0.464 17 R C -0.798 175.525 176.300 0.038 0.000 0.986 17 R CA 1.101 57.226 56.100 0.042 0.000 1.305 17 R CB -1.043 29.278 30.300 0.035 0.000 1.950 17 R HN 0.243 nan 8.270 nan 0.000 0.526 18 E N 1.704 121.928 120.200 0.039 0.000 2.167 18 E HA 0.254 4.602 4.350 -0.004 0.000 0.284 18 E C -2.341 174.282 176.600 0.038 0.000 1.016 18 E CA -2.463 53.958 56.400 0.034 0.000 0.817 18 E CB 0.945 30.664 29.700 0.032 0.000 1.080 18 E HN -0.002 nan 8.360 nan 0.000 0.397 19 P HA -0.028 nan 4.420 nan 0.000 0.267 19 P C 0.619 177.938 177.300 0.031 0.000 1.205 19 P CA 0.111 63.233 63.100 0.037 0.000 0.765 19 P CB 0.610 32.328 31.700 0.030 0.000 0.828 20 V N 0.673 120.608 119.914 0.035 0.000 3.432 20 V HA 0.663 4.781 4.120 -0.004 0.000 0.298 20 V C 0.543 176.646 176.094 0.013 0.000 1.464 20 V CA 0.456 62.770 62.300 0.024 0.000 1.046 20 V CB -0.311 31.527 31.823 0.026 0.000 0.887 20 V HN 0.766 nan 8.190 nan 0.000 0.441 21 G N 0.874 109.686 108.800 0.020 0.000 2.343 21 G HA2 0.173 4.130 3.960 -0.004 0.000 0.465 21 G HA3 0.173 4.130 3.960 -0.004 0.000 0.465 21 G C -0.956 173.955 174.900 0.018 0.000 1.282 21 G CA -0.427 44.674 45.100 0.001 0.000 0.996 21 G HN 0.687 nan 8.290 nan 0.000 0.521 22 R N -0.550 119.939 120.500 -0.019 0.000 2.514 22 R HA 0.758 5.096 4.340 -0.004 0.000 0.301 22 R C -0.520 175.719 176.300 -0.101 0.000 0.962 22 R CA -0.929 55.171 56.100 0.001 0.000 0.882 22 R CB 0.983 31.268 30.300 -0.026 0.000 1.143 22 R HN 0.505 nan 8.270 nan 0.000 0.452 23 I N 4.821 125.332 120.570 -0.100 0.000 2.336 23 I HA 0.312 4.480 4.170 -0.004 0.000 0.292 23 I C -0.209 175.576 176.117 -0.553 0.000 0.991 23 I CA -0.643 60.414 61.300 -0.404 0.000 1.227 23 I CB 1.834 39.565 38.000 -0.449 0.000 1.366 23 I HN 0.574 nan 8.210 nan 0.000 0.466 24 M N 6.577 125.795 119.600 -0.637 0.000 2.294 24 M HA 0.532 5.010 4.480 -0.004 0.000 0.335 24 M C -1.488 174.419 176.300 -0.655 0.000 1.079 24 M CA -0.203 54.814 55.300 -0.472 0.000 0.982 24 M CB 1.268 33.713 32.600 -0.259 0.000 1.651 24 M HN 0.279 nan 8.290 nan 0.000 0.437 25 F N 2.216 122.037 119.950 -0.215 0.000 2.469 25 F HA 0.480 5.005 4.527 -0.004 0.000 0.332 25 F C -0.023 175.630 175.800 -0.246 0.000 1.103 25 F CA -0.583 57.247 58.000 -0.283 0.000 0.979 25 F CB 1.569 40.362 39.000 -0.345 0.000 1.137 25 F HN 0.438 nan 8.300 nan 0.000 0.463 26 Q N 3.984 123.708 119.800 -0.127 0.000 2.282 26 Q HA 0.661 4.999 4.340 -0.004 0.000 0.260 26 Q C -1.860 173.828 176.000 -0.519 0.000 0.964 26 Q CA -0.597 55.059 55.803 -0.246 0.000 0.880 26 Q CB 1.412 30.008 28.738 -0.237 0.000 1.286 26 Q HN 0.776 nan 8.270 nan 0.000 0.445 27 L N 3.642 124.611 121.223 -0.423 0.000 2.329 27 L HA 0.462 4.800 4.340 -0.004 0.000 0.279 27 L C -0.898 175.738 176.870 -0.390 0.000 1.014 27 L CA -0.946 53.633 54.840 -0.435 0.000 0.814 27 L CB 1.166 43.162 42.059 -0.104 0.000 1.257 27 L HN 0.706 nan 8.230 nan 0.000 0.424 28 F N 0.811 120.788 119.950 0.044 0.000 2.425 28 F HA 0.140 4.665 4.527 -0.003 0.000 0.354 28 F C 1.499 177.341 175.800 0.071 0.000 1.162 28 F CA -0.690 57.337 58.000 0.046 0.000 1.250 28 F CB 0.305 39.321 39.000 0.026 0.000 1.579 28 F HN 0.496 nan 8.300 nan 0.000 0.589 29 S N -1.310 114.503 115.700 0.189 0.000 2.496 29 S HA -0.129 4.339 4.470 -0.004 0.000 0.224 29 S C 1.572 176.241 174.600 0.114 0.000 0.996 29 S CA 0.591 58.871 58.200 0.134 0.000 0.927 29 S CB -0.321 62.934 63.200 0.092 0.000 0.774 29 S HN 0.538 nan 8.310 nan 0.000 0.524 30 D N 2.898 123.374 120.400 0.126 0.000 2.097 30 D HA -0.128 4.510 4.640 -0.004 0.000 0.195 30 D C 1.749 178.095 176.300 0.076 0.000 0.989 30 D CA 1.106 55.159 54.000 0.087 0.000 0.827 30 D CB -0.711 40.137 40.800 0.080 0.000 0.966 30 D HN 0.526 nan 8.370 nan 0.000 0.456 31 I N -0.399 120.233 120.570 0.102 0.000 2.333 31 I HA -0.078 4.090 4.170 -0.004 0.000 0.246 31 I C 0.864 177.030 176.117 0.082 0.000 1.106 31 I CA 0.649 61.995 61.300 0.077 0.000 1.411 31 I CB 0.178 38.223 38.000 0.074 0.000 1.082 31 I HN 0.024 nan 8.210 nan 0.000 0.420 32 C N 2.166 121.540 119.300 0.124 0.000 3.414 32 C HA 0.277 4.735 4.460 -0.004 0.000 0.208 32 C C -1.082 173.962 174.990 0.089 0.000 1.422 32 C CA -1.010 58.071 59.018 0.105 0.000 1.437 32 C CB 0.011 27.848 27.740 0.162 0.000 1.850 32 C HN 0.261 nan 8.230 nan 0.000 0.481 33 P HA -0.160 nan 4.420 nan 0.000 0.216 33 P C 1.537 178.854 177.300 0.028 0.000 1.153 33 P CA 1.456 64.584 63.100 0.046 0.000 0.848 33 P CB 0.393 32.111 31.700 0.029 0.000 0.787 34 K N -0.493 119.907 120.400 -0.000 0.000 2.097 34 K HA -0.069 4.249 4.320 -0.004 0.000 0.205 34 K C 1.951 178.536 176.600 -0.024 0.000 1.050 34 K CA 1.698 57.954 56.287 -0.051 0.000 0.938 34 K CB -0.354 32.045 32.500 -0.169 0.000 0.718 34 K HN 0.018 nan 8.250 nan 0.000 0.442 35 T N -0.043 114.535 114.554 0.039 0.000 2.896 35 T HA -0.091 4.257 4.350 -0.004 0.000 0.263 35 T C 1.919 176.519 174.700 -0.166 0.000 1.050 35 T CA 1.007 63.112 62.100 0.009 0.000 1.140 35 T CB -0.207 68.584 68.868 -0.127 0.000 0.877 35 T HN 0.325 nan 8.240 nan 0.000 0.457 36 C N 1.248 120.529 119.300 -0.032 0.000 2.457 36 C HA 0.082 4.540 4.460 -0.004 0.000 0.278 36 C C 2.738 177.783 174.990 0.092 0.000 1.309 36 C CA 0.291 59.364 59.018 0.091 0.000 1.735 36 C CB -0.650 27.173 27.740 0.138 0.000 1.992 36 C HN 0.585 nan 8.230 nan 0.000 0.493 37 K N 1.448 121.875 120.400 0.045 0.000 2.097 37 K HA -0.200 4.118 4.320 -0.004 0.000 0.206 37 K C 1.803 178.373 176.600 -0.050 0.000 1.049 37 K CA 1.998 58.294 56.287 0.015 0.000 0.933 37 K CB -0.336 32.182 32.500 0.030 0.000 0.717 37 K HN 0.445 nan 8.250 nan 0.000 0.442 38 N N 0.100 118.751 118.700 -0.082 0.000 2.069 38 N HA -0.217 4.520 4.740 -0.004 0.000 0.191 38 N C 1.604 177.081 175.510 -0.055 0.000 1.031 38 N CA 1.636 54.571 53.050 -0.192 0.000 0.852 38 N CB -0.338 38.031 38.487 -0.196 0.000 1.018 38 N HN 0.260 nan 8.380 nan 0.000 0.423 39 F N 0.607 120.516 119.950 -0.068 0.000 2.146 39 F HA 0.057 4.582 4.527 -0.003 0.000 0.298 39 F C 1.954 177.759 175.800 0.008 0.000 1.096 39 F CA 0.997 59.027 58.000 0.050 0.000 1.275 39 F CB -0.245 38.852 39.000 0.161 0.000 1.008 39 F HN 0.060 nan 8.300 nan 0.000 0.480 40 L N -0.799 120.511 121.223 0.145 0.000 2.012 40 L HA -0.321 4.017 4.340 -0.004 0.000 0.210 40 L C 2.598 179.401 176.870 -0.111 0.000 1.073 40 L CA 1.443 56.302 54.840 0.032 0.000 0.748 40 L CB -0.999 41.096 42.059 0.061 0.000 0.891 40 L HN 0.267 nan 8.230 nan 0.000 0.431 41 C N -0.317 118.893 119.300 -0.151 0.000 2.422 41 C HA -0.127 4.331 4.460 -0.004 0.000 0.279 41 C C 2.692 177.495 174.990 -0.311 0.000 1.305 41 C CA 0.414 59.306 59.018 -0.211 0.000 1.757 41 C CB -0.836 26.765 27.740 -0.231 0.000 1.962 41 C HN 0.438 nan 8.230 nan 0.000 0.499 42 L N -0.367 120.595 121.223 -0.436 0.000 2.201 42 L HA -0.138 4.200 4.340 -0.004 0.000 0.212 42 L C 2.509 178.999 176.870 -0.633 0.000 1.105 42 L CA 1.008 55.413 54.840 -0.725 0.000 0.775 42 L CB -0.600 40.731 42.059 -1.213 0.000 0.913 42 L HN 0.433 nan 8.230 nan 0.000 0.440 43 C N -0.788 118.277 119.300 -0.392 0.000 2.457 43 C HA -0.092 4.366 4.460 -0.004 0.000 0.278 43 C C 3.156 178.052 174.990 -0.157 0.000 1.309 43 C CA 1.054 59.971 59.018 -0.168 0.000 1.735 43 C CB -0.694 26.997 27.740 -0.081 0.000 1.992 43 C HN 0.676 nan 8.230 nan 0.000 0.493 44 S N -0.037 115.565 115.700 -0.163 0.000 2.425 44 S HA 0.249 4.717 4.470 -0.004 0.000 0.225 44 S C 1.710 176.218 174.600 -0.153 0.000 1.024 44 S CA 1.261 59.385 58.200 -0.126 0.000 0.951 44 S CB -0.505 62.635 63.200 -0.100 0.000 0.796 44 S HN 1.091 nan 8.310 nan 0.000 0.498 45 G N 2.233 110.902 108.800 -0.218 0.000 2.148 45 G HA2 -0.355 3.603 3.960 -0.004 0.000 0.254 45 G HA3 -0.355 3.603 3.960 -0.004 0.000 0.254 45 G C 0.628 175.411 174.900 -0.196 0.000 0.981 45 G CA 0.569 45.526 45.100 -0.237 0.000 0.670 45 G HN 0.799 nan 8.290 nan 0.000 0.528 46 E N -0.292 119.807 120.200 -0.169 0.000 2.268 46 E HA -0.030 4.318 4.350 -0.004 0.000 0.195 46 E C 1.731 178.249 176.600 -0.138 0.000 0.995 46 E CA 0.879 57.200 56.400 -0.132 0.000 0.836 46 E CB -0.094 29.540 29.700 -0.110 0.000 0.763 46 E HN 0.297 nan 8.360 nan 0.000 0.491 47 K N 0.835 121.132 120.400 -0.173 0.000 2.444 47 K HA 0.152 4.470 4.320 -0.004 0.000 0.193 47 K C 1.085 177.591 176.600 -0.156 0.000 1.024 47 K CA 0.710 56.898 56.287 -0.165 0.000 1.077 47 K CB 0.513 32.893 32.500 -0.200 0.000 0.833 47 K HN 0.337 nan 8.250 nan 0.000 0.517 48 G N 1.493 110.193 108.800 -0.167 0.000 2.514 48 G HA2 -0.307 3.651 3.960 -0.004 0.000 0.265 48 G HA3 -0.307 3.651 3.960 -0.004 0.000 0.265 48 G C -0.377 174.423 174.900 -0.166 0.000 1.150 48 G CA -0.258 44.754 45.100 -0.147 0.000 0.959 48 G HN 0.182 nan 8.290 nan 0.000 0.556 49 L N 1.877 123.028 121.223 -0.120 0.000 2.350 49 L HA 0.604 4.942 4.340 -0.004 0.000 0.275 49 L C 1.488 178.313 176.870 -0.075 0.000 1.099 49 L CA -0.263 54.517 54.840 -0.099 0.000 0.808 49 L CB 1.057 43.079 42.059 -0.061 0.000 1.149 49 L HN 0.928 nan 8.230 nan 0.000 0.442 50 G N 0.856 109.635 108.800 -0.035 0.000 2.483 50 G HA2 0.095 4.053 3.960 -0.004 0.000 0.248 50 G HA3 0.095 4.053 3.960 -0.004 0.000 0.248 50 G C 0.558 175.465 174.900 0.013 0.000 1.248 50 G CA -0.374 44.740 45.100 0.023 0.000 0.838 50 G HN 0.822 nan 8.290 nan 0.000 0.566 51 K N -0.007 120.394 120.400 0.001 0.000 2.057 51 K HA -0.121 4.197 4.320 -0.004 0.000 0.206 51 K C 2.516 179.111 176.600 -0.008 0.000 1.050 51 K CA 1.971 58.254 56.287 -0.008 0.000 0.935 51 K CB 0.029 32.523 32.500 -0.009 0.000 0.715 51 K HN 0.622 nan 8.250 nan 0.000 0.439 52 T N -3.420 111.127 114.554 -0.012 0.000 3.015 52 T HA -0.005 4.343 4.350 -0.004 0.000 0.250 52 T C 1.774 176.463 174.700 -0.019 0.000 1.057 52 T CA 0.830 62.912 62.100 -0.031 0.000 1.066 52 T CB 0.141 68.964 68.868 -0.075 0.000 0.959 52 T HN 0.273 nan 8.240 nan 0.000 0.488 53 T N -2.019 112.542 114.554 0.011 0.000 3.037 53 T HA 0.424 4.772 4.350 -0.004 0.000 0.252 53 T C 2.049 176.777 174.700 0.047 0.000 1.073 53 T CA 0.744 62.860 62.100 0.026 0.000 1.091 53 T CB -0.539 68.367 68.868 0.063 0.000 0.935 53 T HN 0.896 nan 8.240 nan 0.000 0.488 54 G N 1.641 110.468 108.800 0.045 0.000 2.166 54 G HA2 -0.268 3.690 3.960 -0.004 0.000 0.260 54 G HA3 -0.268 3.690 3.960 -0.004 0.000 0.260 54 G C -0.045 174.880 174.900 0.041 0.000 0.986 54 G CA 0.632 45.749 45.100 0.028 0.000 0.683 54 G HN 0.691 nan 8.290 nan 0.000 0.527 55 K N -0.397 120.064 120.400 0.103 0.000 2.238 55 K HA 0.496 4.814 4.320 -0.004 0.000 0.239 55 K C 0.309 176.886 176.600 -0.038 0.000 0.987 55 K CA -0.950 55.396 56.287 0.098 0.000 0.857 55 K CB 1.512 34.154 32.500 0.236 0.000 1.154 55 K HN 0.088 nan 8.250 nan 0.000 0.439 56 K N 2.151 122.447 120.400 -0.173 0.000 2.416 56 K HA 0.055 4.373 4.320 -0.004 0.000 0.283 56 K C -0.370 175.765 176.600 -0.776 0.000 1.037 56 K CA -0.080 56.006 56.287 -0.335 0.000 0.995 56 K CB 0.262 32.612 32.500 -0.250 0.000 0.938 56 K HN 0.441 nan 8.250 nan 0.000 0.475 57 L N 5.702 126.511 121.223 -0.690 0.000 2.449 57 L HA 0.053 4.391 4.340 -0.004 0.000 0.266 57 L C -0.151 176.267 176.870 -0.752 0.000 1.321 57 L CA -0.312 54.013 54.840 -0.858 0.000 1.194 57 L CB -0.392 41.398 42.059 -0.448 0.000 1.384 57 L HN 0.550 nan 8.230 nan 0.000 0.438 58 C N 0.735 119.494 119.300 -0.902 0.000 3.090 58 C HA 0.311 4.769 4.460 -0.004 0.000 0.347 58 C C 0.716 175.467 174.990 -0.397 0.000 1.147 58 C CA -0.623 58.056 59.018 -0.566 0.000 1.305 58 C CB 1.291 28.812 27.740 -0.365 0.000 1.692 58 C HN 0.630 nan 8.230 nan 0.000 0.506 59 Y N 1.698 121.853 120.300 -0.242 0.000 2.523 59 Y HA 0.233 4.781 4.550 -0.003 0.000 0.279 59 Y C 1.497 177.249 175.900 -0.246 0.000 1.139 59 Y CA 0.528 58.495 58.100 -0.222 0.000 1.296 59 Y CB -0.193 38.043 38.460 -0.374 0.000 1.045 59 Y HN 0.569 nan 8.280 nan 0.000 0.538 60 K N 0.379 120.730 120.400 -0.082 0.000 2.436 60 K HA 0.250 4.568 4.320 -0.004 0.000 0.282 60 K C 1.159 177.729 176.600 -0.049 0.000 1.044 60 K CA 1.092 57.331 56.287 -0.081 0.000 1.028 60 K CB -0.170 32.284 32.500 -0.077 0.000 0.919 60 K HN 0.481 nan 8.250 nan 0.000 0.474 61 G N 2.308 111.087 108.800 -0.035 0.000 2.195 61 G HA2 -0.315 3.643 3.960 -0.004 0.000 0.246 61 G HA3 -0.315 3.643 3.960 -0.004 0.000 0.246 61 G C 0.080 174.986 174.900 0.010 0.000 0.984 61 G CA 0.373 45.469 45.100 -0.006 0.000 0.633 61 G HN 0.848 nan 8.290 nan 0.000 0.525 62 S N -0.039 115.663 115.700 0.003 0.000 2.655 62 S HA 0.774 5.242 4.470 -0.004 0.000 0.265 62 S C 0.371 174.953 174.600 -0.029 0.000 1.240 62 S CA 0.839 59.053 58.200 0.023 0.000 0.986 62 S CB 1.770 65.026 63.200 0.094 0.000 0.985 62 S HN 1.660 nan 8.310 nan 0.000 0.562 63 T N -2.066 112.472 114.554 -0.027 0.000 2.907 63 T HA 0.657 5.004 4.350 -0.004 0.000 0.290 63 T C -0.935 173.701 174.700 -0.106 0.000 1.066 63 T CA -0.834 61.273 62.100 0.011 0.000 1.012 63 T CB 0.524 69.442 68.868 0.083 0.000 1.184 63 T HN 0.443 nan 8.240 nan 0.000 0.522 64 F N 2.150 122.141 119.950 0.069 0.000 2.375 64 F HA 0.308 4.833 4.527 -0.004 0.000 0.362 64 F C 1.476 177.267 175.800 -0.014 0.000 1.129 64 F CA -0.555 57.446 58.000 0.002 0.000 1.154 64 F CB 0.467 39.478 39.000 0.018 0.000 1.205 64 F HN 0.893 nan 8.300 nan 0.000 0.513 65 H N 0.380 119.481 119.070 0.051 0.000 2.553 65 H HA 0.300 4.854 4.556 -0.004 0.000 0.265 65 H C 0.485 175.819 175.328 0.010 0.000 0.964 65 H CA -0.277 55.781 56.048 0.017 0.000 1.156 65 H CB 0.400 30.145 29.762 -0.027 0.000 1.411 65 H HN 0.448 nan 8.280 nan 0.000 0.558 66 R N 0.861 121.107 120.500 -0.423 0.000 2.515 66 R HA 0.530 4.868 4.340 -0.004 0.000 0.291 66 R C -2.214 174.003 176.300 -0.139 0.000 1.046 66 R CA -0.753 55.194 56.100 -0.254 0.000 0.914 66 R CB 1.920 32.016 30.300 -0.340 0.000 1.191 66 R HN 0.135 nan 8.270 nan 0.000 0.435 67 V N 5.297 125.172 119.914 -0.066 0.000 2.482 67 V HA 0.410 4.528 4.120 -0.004 0.000 0.295 67 V C -0.910 175.178 176.094 -0.011 0.000 1.026 67 V CA -0.710 61.571 62.300 -0.033 0.000 0.856 67 V CB 2.042 33.856 31.823 -0.015 0.000 1.001 67 V HN 0.531 nan 8.190 nan 0.000 0.424 68 V N 4.679 124.597 119.914 0.007 0.000 2.325 68 V HA 0.365 4.482 4.120 -0.004 0.000 0.280 68 V C 0.137 176.284 176.094 0.089 0.000 1.016 68 V CA -1.139 61.201 62.300 0.067 0.000 0.818 68 V CB 1.454 33.373 31.823 0.160 0.000 1.019 68 V HN 0.873 nan 8.190 nan 0.000 0.434 69 K N 4.276 124.715 120.400 0.064 0.000 2.511 69 K HA 0.006 4.324 4.320 -0.004 0.000 0.280 69 K C 0.762 177.412 176.600 0.082 0.000 1.008 69 K CA 1.420 57.743 56.287 0.060 0.000 1.050 69 K CB -0.524 32.002 32.500 0.044 0.000 0.889 69 K HN 0.757 nan 8.250 nan 0.000 0.484 70 N N 1.519 120.267 118.700 0.081 0.000 2.948 70 N HA -0.236 4.502 4.740 -0.004 0.000 0.239 70 N C -0.450 175.168 175.510 0.181 0.000 0.954 70 N CA 0.822 53.924 53.050 0.086 0.000 0.941 70 N CB -0.924 37.592 38.487 0.047 0.000 1.101 70 N HN 0.511 nan 8.380 nan 0.000 0.579 71 F N 0.438 120.381 119.950 -0.012 0.000 2.017 71 F HA 0.517 5.042 4.527 -0.003 0.000 0.245 71 F C -0.225 175.586 175.800 0.018 0.000 1.060 71 F CA 1.308 59.306 58.000 -0.003 0.000 1.231 71 F CB 0.392 39.379 39.000 -0.020 0.000 1.527 71 F HN -0.015 nan 8.300 nan 0.000 0.636 72 M N 1.015 120.539 119.600 -0.126 0.000 2.853 72 M HA 0.444 4.922 4.480 -0.004 0.000 0.273 72 M C -1.915 174.327 176.300 -0.097 0.000 1.128 72 M CA -0.845 54.326 55.300 -0.215 0.000 0.814 72 M CB 2.182 34.418 32.600 -0.606 0.000 1.667 72 M HN 0.164 nan 8.290 nan 0.000 0.519 73 I N -0.880 119.697 120.570 0.010 0.000 2.509 73 I HA 0.799 4.967 4.170 -0.004 0.000 0.293 73 I C -1.409 174.823 176.117 0.192 0.000 1.020 73 I CA -0.534 60.794 61.300 0.047 0.000 1.088 73 I CB 2.118 40.077 38.000 -0.068 0.000 1.267 73 I HN 0.965 nan 8.210 nan 0.000 0.430 74 Q N 4.084 123.943 119.800 0.099 0.000 2.353 74 Q HA 0.772 5.109 4.340 -0.004 0.000 0.268 74 Q C -0.886 174.900 176.000 -0.356 0.000 1.045 74 Q CA -0.626 55.095 55.803 -0.136 0.000 0.811 74 Q CB 2.448 31.017 28.738 -0.282 0.000 1.305 74 Q HN 1.083 nan 8.270 nan 0.000 0.447 75 G N 0.078 108.360 108.800 -0.862 0.000 2.976 75 G HA2 0.563 4.521 3.960 -0.004 0.000 0.276 75 G HA3 0.563 4.521 3.960 -0.004 0.000 0.276 75 G C 0.209 174.674 174.900 -0.725 0.000 1.207 75 G CA -0.123 44.474 45.100 -0.837 0.000 0.803 75 G HN 1.153 nan 8.290 nan 0.000 0.572 76 G N -0.572 108.047 108.800 -0.301 0.000 2.179 76 G HA2 -0.230 3.728 3.960 -0.004 0.000 0.260 76 G HA3 -0.230 3.728 3.960 -0.004 0.000 0.260 76 G C 0.259 175.312 174.900 0.256 0.000 0.977 76 G CA 0.797 46.061 45.100 0.274 0.000 0.641 76 G HN 0.872 nan 8.290 nan 0.000 0.533 77 D N 0.883 121.309 120.400 0.043 0.000 2.551 77 D HA 0.355 4.993 4.640 -0.004 0.000 0.223 77 D C 1.676 177.928 176.300 -0.081 0.000 1.144 77 D CA -0.731 53.196 54.000 -0.122 0.000 1.025 77 D CB -0.851 39.764 40.800 -0.307 0.000 1.085 77 D HN 0.378 nan 8.370 nan 0.000 0.506 78 F N 0.883 120.868 119.950 0.058 0.000 2.604 78 F HA 0.005 4.530 4.527 -0.003 0.000 0.298 78 F C 1.773 177.569 175.800 -0.008 0.000 1.131 78 F CA 0.504 58.519 58.000 0.025 0.000 1.457 78 F CB -0.629 38.383 39.000 0.020 0.000 1.095 78 F HN 0.198 nan 8.300 nan 0.000 0.574 79 S N -1.481 114.076 115.700 -0.239 0.000 2.497 79 S HA 0.155 4.623 4.470 -0.004 0.000 0.221 79 S C 1.410 175.960 174.600 -0.083 0.000 1.037 79 S CA 0.081 58.220 58.200 -0.101 0.000 0.920 79 S CB -0.049 63.031 63.200 -0.200 0.000 0.800 79 S HN 0.367 nan 8.310 nan 0.000 0.505 80 E N 0.564 120.686 120.200 -0.130 0.000 2.500 80 E HA 0.264 4.612 4.350 -0.004 0.000 0.217 80 E C 1.229 177.764 176.600 -0.109 0.000 0.848 80 E CA 0.644 56.982 56.400 -0.104 0.000 1.217 80 E CB 0.397 30.026 29.700 -0.118 0.000 1.217 80 E HN 0.568 nan 8.360 nan 0.000 0.573 81 G N 3.337 112.050 108.800 -0.145 0.000 2.168 81 G HA2 -0.321 3.637 3.960 -0.004 0.000 0.257 81 G HA3 -0.321 3.637 3.960 -0.004 0.000 0.257 81 G C 0.440 175.219 174.900 -0.202 0.000 0.997 81 G CA 1.043 46.068 45.100 -0.126 0.000 0.708 81 G HN 0.373 nan 8.290 nan 0.000 0.520 82 N N -1.867 116.628 118.700 -0.342 0.000 2.081 82 N HA 0.424 5.162 4.740 -0.004 0.000 0.230 82 N C 1.415 176.681 175.510 -0.406 0.000 1.351 82 N CA 1.052 53.925 53.050 -0.296 0.000 0.840 82 N CB 0.076 38.494 38.487 -0.116 0.000 1.189 82 N HN 1.477 nan 8.380 nan 0.000 0.503 83 G N 0.729 109.112 108.800 -0.695 0.000 2.232 83 G HA2 -0.323 3.635 3.960 -0.004 0.000 0.226 83 G HA3 -0.323 3.635 3.960 -0.004 0.000 0.226 83 G C 0.882 175.700 174.900 -0.137 0.000 0.996 83 G CA 0.381 45.279 45.100 -0.337 0.000 0.626 83 G HN 0.377 nan 8.290 nan 0.000 0.509 84 K N 0.658 120.976 120.400 -0.136 0.000 2.365 84 K HA 0.395 4.712 4.320 -0.004 0.000 0.197 84 K C 1.741 178.303 176.600 -0.064 0.000 1.042 84 K CA 0.817 57.066 56.287 -0.064 0.000 0.987 84 K CB 0.272 32.741 32.500 -0.052 0.000 0.779 84 K HN 0.515 nan 8.250 nan 0.000 0.484 85 G N -0.508 108.213 108.800 -0.132 0.000 3.119 85 G HA2 0.598 4.556 3.960 -0.004 0.000 0.206 85 G HA3 0.598 4.556 3.960 -0.004 0.000 0.206 85 G C -0.268 174.491 174.900 -0.235 0.000 1.313 85 G CA -0.320 44.677 45.100 -0.171 0.000 1.010 85 G HN 0.283 nan 8.290 nan 0.000 0.578 86 G N -1.266 107.243 108.800 -0.484 0.000 2.730 86 G HA2 0.432 4.390 3.960 -0.004 0.000 0.686 86 G HA3 0.432 4.390 3.960 -0.004 0.000 0.686 86 G C -0.425 174.283 174.900 -0.320 0.000 1.343 86 G CA 0.513 45.151 45.100 -0.770 0.000 0.826 86 G HN 1.655 nan 8.290 nan 0.000 0.582 87 E N -1.635 118.484 120.200 -0.135 0.000 2.422 87 E HA 0.670 5.017 4.350 -0.004 0.000 0.280 87 E C -0.029 176.720 176.600 0.248 0.000 1.091 87 E CA -0.417 56.043 56.400 0.100 0.000 0.849 87 E CB 0.759 30.471 29.700 0.020 0.000 1.353 87 E HN 1.666 nan 8.360 nan 0.000 0.449 88 S N 0.374 116.226 115.700 0.253 0.000 2.669 88 S HA 0.274 4.742 4.470 -0.004 0.000 0.270 88 S C 1.564 176.122 174.600 -0.070 0.000 1.225 88 S CA -0.338 57.966 58.200 0.174 0.000 0.991 88 S CB 0.403 63.835 63.200 0.386 0.000 0.987 88 S HN 0.808 nan 8.310 nan 0.000 0.552 89 I N -1.810 118.541 120.570 -0.366 0.000 2.850 89 I HA -0.055 4.113 4.170 -0.004 0.000 0.266 89 I C 0.884 176.705 176.117 -0.492 0.000 1.257 89 I CA 1.029 62.045 61.300 -0.474 0.000 1.465 89 I CB -0.602 37.031 38.000 -0.612 0.000 1.091 89 I HN 0.610 nan 8.210 nan 0.000 0.467 90 Y N 2.670 122.914 120.300 -0.093 0.000 2.523 90 Y HA 0.450 4.998 4.550 -0.003 0.000 0.279 90 Y C 1.446 177.336 175.900 -0.017 0.000 1.139 90 Y CA -0.113 57.942 58.100 -0.074 0.000 1.296 90 Y CB -0.519 37.876 38.460 -0.107 0.000 1.045 90 Y HN 0.349 nan 8.280 nan 0.000 0.538 91 G N -0.232 108.612 108.800 0.073 0.000 3.439 91 G HA2 0.350 4.308 3.960 -0.004 0.000 0.686 91 G HA3 0.350 4.308 3.960 -0.004 0.000 0.686 91 G C 0.400 175.336 174.900 0.061 0.000 1.075 91 G CA -0.511 44.619 45.100 0.049 0.000 0.926 91 G HN 0.965 nan 8.290 nan 0.000 0.485 92 G N 1.865 110.660 108.800 -0.008 0.000 2.574 92 G HA2 0.017 3.975 3.960 -0.004 0.000 0.286 92 G HA3 0.017 3.975 3.960 -0.004 0.000 0.286 92 G C 0.278 175.189 174.900 0.018 0.000 1.212 92 G CA 0.922 45.934 45.100 -0.146 0.000 0.979 92 G HN 1.877 nan 8.290 nan 0.000 0.557 93 Y N 0.779 121.188 120.300 0.181 0.000 2.403 93 Y HA 0.673 5.221 4.550 -0.003 0.000 0.323 93 Y C 0.840 176.929 175.900 0.316 0.000 1.226 93 Y CA -0.679 57.552 58.100 0.217 0.000 1.235 93 Y CB 0.928 39.454 38.460 0.110 0.000 1.248 93 Y HN 0.692 nan 8.280 nan 0.000 0.489 94 F N -1.452 118.669 119.950 0.285 0.000 2.593 94 F HA 0.723 5.248 4.527 -0.003 0.000 0.320 94 F C -0.577 175.274 175.800 0.085 0.000 1.060 94 F CA -1.762 56.317 58.000 0.131 0.000 0.940 94 F CB 1.185 40.234 39.000 0.082 0.000 1.268 94 F HN 0.207 nan 8.300 nan 0.000 0.475 95 K N 1.198 121.617 120.400 0.031 0.000 2.380 95 K HA 0.034 4.352 4.320 -0.004 0.000 0.267 95 K C -0.725 175.846 176.600 -0.048 0.000 0.990 95 K CA -0.244 55.973 56.287 -0.116 0.000 0.946 95 K CB 0.215 32.482 32.500 -0.388 0.000 0.937 95 K HN 0.596 nan 8.250 nan 0.000 0.491 96 D N 3.042 123.572 120.400 0.216 0.000 2.389 96 D HA -0.074 4.563 4.640 -0.004 0.000 0.263 96 D C 0.986 177.179 176.300 -0.178 0.000 1.255 96 D CA 0.563 54.518 54.000 -0.076 0.000 0.914 96 D CB 0.888 41.648 40.800 -0.067 0.000 1.116 96 D HN 0.558 nan 8.370 nan 0.000 0.502 97 E N 2.712 122.796 120.200 -0.193 0.000 2.051 97 E HA -0.216 4.131 4.350 -0.004 0.000 0.192 97 E C 0.076 176.556 176.600 -0.199 0.000 0.991 97 E CA 1.023 57.349 56.400 -0.123 0.000 0.799 97 E CB 0.317 30.001 29.700 -0.026 0.000 0.748 97 E HN 0.658 nan 8.360 nan 0.000 0.449 98 N N -2.903 115.577 118.700 -0.368 0.000 3.348 98 N HA 0.090 4.828 4.740 -0.004 0.000 0.233 98 N C -1.462 173.708 175.510 -0.568 0.000 1.440 98 N CA -0.665 52.173 53.050 -0.354 0.000 0.887 98 N CB -0.042 38.383 38.487 -0.104 0.000 1.410 98 N HN -0.069 nan 8.380 nan 0.000 0.502 99 F N 0.163 120.148 119.950 0.058 0.000 2.928 99 F HA 0.537 5.062 4.527 -0.003 0.000 0.337 99 F C 1.068 176.894 175.800 0.044 0.000 1.259 99 F CA -0.712 57.325 58.000 0.061 0.000 1.267 99 F CB -0.281 38.758 39.000 0.065 0.000 0.986 99 F HN 0.437 nan 8.300 nan 0.000 0.507 100 I N -0.239 120.407 120.570 0.126 0.000 2.163 100 I HA -0.196 3.972 4.170 -0.004 0.000 0.240 100 I C 1.002 177.155 176.117 0.060 0.000 1.081 100 I CA 1.104 62.451 61.300 0.078 0.000 1.353 100 I CB -0.090 37.929 38.000 0.032 0.000 1.054 100 I HN 0.013 nan 8.210 nan 0.000 0.407 101 L N 1.841 123.090 121.223 0.044 0.000 2.397 101 L HA 0.182 4.520 4.340 -0.004 0.000 0.271 101 L C 0.004 176.879 176.870 0.009 0.000 1.148 101 L CA -0.237 54.601 54.840 -0.002 0.000 0.825 101 L CB 0.338 42.382 42.059 -0.025 0.000 1.117 101 L HN 0.039 nan 8.230 nan 0.000 0.456 102 K N 0.918 121.313 120.400 -0.008 0.000 2.166 102 K HA 0.344 4.662 4.320 -0.004 0.000 0.245 102 K C -0.608 175.977 176.600 -0.024 0.000 0.967 102 K CA -0.870 55.439 56.287 0.037 0.000 0.863 102 K CB 1.084 33.627 32.500 0.072 0.000 1.107 102 K HN 0.383 nan 8.250 nan 0.000 0.436 103 H N 1.376 120.499 119.070 0.088 0.000 2.799 103 H HA 0.028 4.582 4.556 -0.004 0.000 0.225 103 H C 0.354 175.725 175.328 0.072 0.000 1.904 103 H CA -0.060 56.041 56.048 0.088 0.000 1.344 103 H CB -0.201 29.631 29.762 0.116 0.000 1.744 103 H HN 0.481 nan 8.280 nan 0.000 0.542 104 D N 0.995 121.465 120.400 0.116 0.000 2.349 104 D HA -0.013 4.625 4.640 -0.004 0.000 0.214 104 D C 0.526 176.864 176.300 0.064 0.000 1.063 104 D CA -0.218 53.832 54.000 0.084 0.000 0.847 104 D CB 0.684 41.516 40.800 0.053 0.000 0.933 104 D HN 0.583 nan 8.370 nan 0.000 0.513 105 R N -1.489 119.049 120.500 0.064 0.000 2.712 105 R HA 0.646 4.984 4.340 -0.004 0.000 0.272 105 R C -1.287 175.011 176.300 -0.003 0.000 1.032 105 R CA -0.933 55.186 56.100 0.032 0.000 0.874 105 R CB 0.592 30.921 30.300 0.049 0.000 1.256 105 R HN -0.119 nan 8.270 nan 0.000 0.468 106 A N 1.033 123.783 122.820 -0.117 0.000 2.425 106 A HA 0.499 4.817 4.320 -0.004 0.000 0.242 106 A C -0.220 177.236 177.584 -0.213 0.000 1.077 106 A CA 0.287 52.082 52.037 -0.403 0.000 0.781 106 A CB -0.660 17.772 19.000 -0.946 0.000 1.020 106 A HN 0.815 nan 8.150 nan 0.000 0.494 107 F N -2.404 117.618 119.950 0.120 0.000 2.681 107 F HA -0.161 4.364 4.527 -0.004 0.000 0.299 107 F C 0.239 176.085 175.800 0.076 0.000 0.676 107 F CA 0.143 58.224 58.000 0.135 0.000 1.496 107 F CB -2.509 36.652 39.000 0.269 0.000 1.827 107 F HN 0.428 nan 8.300 nan 0.000 0.328 108 L N 0.896 122.199 121.223 0.133 0.000 2.418 108 L HA 0.486 4.824 4.340 -0.004 0.000 0.265 108 L C 0.264 177.072 176.870 -0.104 0.000 1.143 108 L CA -0.813 54.035 54.840 0.014 0.000 0.809 108 L CB 0.908 42.950 42.059 -0.028 0.000 1.124 108 L HN 0.110 nan 8.230 nan 0.000 0.456 109 L N 1.971 123.008 121.223 -0.310 0.000 2.296 109 L HA 0.584 4.922 4.340 -0.004 0.000 0.286 109 L C -0.353 176.056 176.870 -0.768 0.000 1.023 109 L CA 0.549 55.047 54.840 -0.570 0.000 0.812 109 L CB 1.533 43.050 42.059 -0.903 0.000 1.223 109 L HN 0.559 nan 8.230 nan 0.000 0.421 110 S N 4.998 120.305 115.700 -0.655 0.000 2.564 110 S HA 0.708 5.176 4.470 -0.004 0.000 0.274 110 S C -0.868 173.648 174.600 -0.139 0.000 1.124 110 S CA -0.846 57.077 58.200 -0.462 0.000 0.869 110 S CB 1.133 63.836 63.200 -0.828 0.000 1.105 110 S HN 0.565 nan 8.310 nan 0.000 0.472 111 M N 3.288 123.079 119.600 0.317 0.000 2.162 111 M HA 0.390 4.868 4.480 -0.004 0.000 0.356 111 M C 0.581 177.252 176.300 0.618 0.000 1.303 111 M CA -0.356 55.201 55.300 0.429 0.000 1.116 111 M CB 0.291 33.067 32.600 0.293 0.000 1.632 111 M HN 0.804 nan 8.290 nan 0.000 0.469 112 A N 4.769 127.943 122.820 0.590 0.000 2.425 112 A HA 0.476 4.793 4.320 -0.004 0.000 0.242 112 A C 0.260 178.075 177.584 0.386 0.000 1.077 112 A CA -0.161 52.190 52.037 0.523 0.000 0.781 112 A CB -0.037 19.159 19.000 0.326 0.000 1.020 112 A HN 0.982 nan 8.150 nan 0.000 0.494 113 N N -0.959 117.952 118.700 0.352 0.000 3.106 113 N HA 0.477 5.215 4.740 -0.004 0.000 0.253 113 N C -0.675 174.867 175.510 0.054 0.000 1.506 113 N CA -0.583 52.532 53.050 0.108 0.000 0.876 113 N CB 0.796 39.287 38.487 0.006 0.000 1.452 113 N HN 0.547 nan 8.380 nan 0.000 0.542 114 R N -0.605 119.851 120.500 -0.073 0.000 2.690 114 R HA 0.667 5.005 4.340 -0.004 0.000 0.419 114 R C -0.043 176.202 176.300 -0.092 0.000 1.090 114 R CA -0.251 55.813 56.100 -0.059 0.000 1.064 114 R CB -0.184 30.080 30.300 -0.060 0.000 1.391 114 R HN 0.895 nan 8.270 nan 0.000 0.586 115 G N 0.992 109.722 108.800 -0.116 0.000 2.361 115 G HA2 -0.036 3.922 3.960 -0.004 0.000 0.331 115 G HA3 -0.036 3.922 3.960 -0.004 0.000 0.331 115 G C -1.615 173.191 174.900 -0.157 0.000 1.324 115 G CA -1.250 43.777 45.100 -0.122 0.000 0.984 115 G HN 0.104 nan 8.290 nan 0.000 0.586 116 K N 0.404 120.701 120.400 -0.172 0.000 2.484 116 K HA 0.297 4.614 4.320 -0.004 0.000 0.280 116 K C 0.282 176.744 176.600 -0.229 0.000 1.013 116 K CA 0.674 56.790 56.287 -0.284 0.000 1.029 116 K CB -0.130 32.140 32.500 -0.384 0.000 0.902 116 K HN 0.788 nan 8.250 nan 0.000 0.481 117 H N -0.175 118.857 119.070 -0.064 0.000 2.748 117 H HA -0.144 4.410 4.556 -0.004 0.000 0.322 117 H C -0.337 174.895 175.328 -0.160 0.000 1.208 117 H CA 0.593 56.584 56.048 -0.094 0.000 1.151 117 H CB -1.634 28.112 29.762 -0.026 0.000 1.505 117 H HN 0.783 nan 8.280 nan 0.000 0.429 118 T N -2.634 111.797 114.554 -0.206 0.000 3.487 118 T HA 0.135 4.483 4.350 -0.004 0.000 0.287 118 T C 0.201 174.619 174.700 -0.471 0.000 1.004 118 T CA -0.832 60.909 62.100 -0.598 0.000 0.977 118 T CB 0.228 68.617 68.868 -0.797 0.000 1.180 118 T HN 0.277 nan 8.240 nan 0.000 0.490 119 N N 1.344 119.864 118.700 -0.300 0.000 2.475 119 N HA 0.419 5.157 4.740 -0.004 0.000 0.267 119 N C 0.703 176.277 175.510 0.106 0.000 1.169 119 N CA 0.322 53.192 53.050 -0.299 0.000 0.947 119 N CB 1.762 39.636 38.487 -1.022 0.000 1.061 119 N HN 0.617 nan 8.380 nan 0.000 0.466 120 G N 0.533 109.528 108.800 0.326 0.000 2.844 120 G HA2 0.066 4.024 3.960 -0.004 0.000 0.204 120 G HA3 0.066 4.024 3.960 -0.004 0.000 0.204 120 G C 0.625 175.801 174.900 0.461 0.000 1.815 120 G CA -0.032 45.353 45.100 0.476 0.000 0.739 120 G HN 0.511 nan 8.290 nan 0.000 0.807 121 S N -0.790 115.144 115.700 0.390 0.000 2.549 121 S HA 0.269 4.737 4.470 -0.004 0.000 0.225 121 S C 0.733 175.727 174.600 0.658 0.000 1.039 121 S CA -0.148 58.363 58.200 0.519 0.000 0.942 121 S CB 0.174 63.681 63.200 0.512 0.000 0.881 121 S HN 0.401 nan 8.310 nan 0.000 0.503 122 Q N 1.351 121.407 119.800 0.426 0.000 2.337 122 Q HA 0.485 4.822 4.340 -0.004 0.000 0.270 122 Q C -0.855 175.398 176.000 0.422 0.000 1.002 122 Q CA -0.020 55.975 55.803 0.321 0.000 0.888 122 Q CB 0.511 29.364 28.738 0.192 0.000 1.222 122 Q HN 0.652 nan 8.270 nan 0.000 0.400 123 F N 0.142 120.296 119.950 0.340 0.000 2.643 123 F HA 0.781 5.306 4.527 -0.004 0.000 0.314 123 F C -1.330 174.668 175.800 0.331 0.000 1.096 123 F CA -1.718 56.479 58.000 0.328 0.000 0.953 123 F CB 1.081 40.295 39.000 0.357 0.000 1.345 123 F HN 0.414 nan 8.300 nan 0.000 0.468 124 F N -0.079 120.007 119.950 0.227 0.000 2.599 124 F HA 0.852 5.377 4.527 -0.004 0.000 0.311 124 F C -1.774 174.163 175.800 0.228 0.000 1.076 124 F CA -1.642 56.421 58.000 0.104 0.000 0.937 124 F CB 1.613 40.541 39.000 -0.119 0.000 1.282 124 F HN 0.454 nan 8.300 nan 0.000 0.460 125 I N 2.365 123.151 120.570 0.360 0.000 2.362 125 I HA 0.323 4.491 4.170 -0.004 0.000 0.289 125 I C 0.153 176.393 176.117 0.205 0.000 0.994 125 I CA -0.712 60.734 61.300 0.244 0.000 1.158 125 I CB 2.215 40.421 38.000 0.343 0.000 1.315 125 I HN 0.876 nan 8.210 nan 0.000 0.451 126 T N 0.673 115.314 114.554 0.145 0.000 2.898 126 T HA 0.171 4.518 4.350 -0.004 0.000 0.301 126 T C 0.872 175.540 174.700 -0.054 0.000 1.049 126 T CA -0.139 62.015 62.100 0.091 0.000 1.095 126 T CB 1.077 70.024 68.868 0.131 0.000 0.976 126 T HN 0.761 nan 8.240 nan 0.000 0.539 127 T N -1.964 112.539 114.554 -0.086 0.000 3.091 127 T HA 0.389 4.737 4.350 -0.004 0.000 0.277 127 T C 0.130 174.698 174.700 -0.221 0.000 0.996 127 T CA -0.611 61.339 62.100 -0.251 0.000 0.897 127 T CB 0.104 68.916 68.868 -0.094 0.000 1.109 127 T HN 0.571 nan 8.240 nan 0.000 0.534 128 K N 1.029 121.384 120.400 -0.076 0.000 2.607 128 K HA 0.463 4.781 4.320 -0.004 0.000 0.287 128 K C -3.390 173.248 176.600 0.064 0.000 0.996 128 K CA -1.985 54.294 56.287 -0.013 0.000 0.876 128 K CB 1.248 33.781 32.500 0.056 0.000 1.496 128 K HN -0.160 nan 8.250 nan 0.000 0.415 129 P HA 0.075 nan 4.420 nan 0.000 0.267 129 P C -0.891 176.518 177.300 0.182 0.000 1.200 129 P CA 0.074 63.243 63.100 0.115 0.000 0.772 129 P CB 0.407 32.156 31.700 0.081 0.000 0.855 130 A N 4.468 127.417 122.820 0.214 0.000 3.410 130 A HA 0.357 4.675 4.320 -0.004 0.000 0.276 130 A C -1.733 175.880 177.584 0.048 0.000 0.995 130 A CA -0.840 51.308 52.037 0.185 0.000 0.934 130 A CB 0.298 19.427 19.000 0.215 0.000 1.191 130 A HN 0.312 nan 8.150 nan 0.000 0.511 131 P HA -0.231 nan 4.420 nan 0.000 0.221 131 P C 1.177 178.521 177.300 0.073 0.000 1.145 131 P CA 1.523 64.692 63.100 0.115 0.000 0.795 131 P CB -0.317 31.449 31.700 0.110 0.000 0.775 132 H N -0.345 118.724 119.070 -0.001 0.000 2.518 132 H HA 0.022 4.576 4.556 -0.004 0.000 0.289 132 H C 1.492 176.804 175.328 -0.025 0.000 1.051 132 H CA 0.634 56.665 56.048 -0.027 0.000 1.280 132 H CB -1.129 28.597 29.762 -0.060 0.000 1.380 132 H HN 0.200 nan 8.280 nan 0.000 0.566 133 L N 0.866 121.809 121.223 -0.466 0.000 2.567 133 L HA 0.100 4.438 4.340 -0.004 0.000 0.225 133 L C -0.057 176.761 176.870 -0.086 0.000 1.119 133 L CA -0.206 54.419 54.840 -0.359 0.000 0.871 133 L CB -0.027 41.556 42.059 -0.793 0.000 1.036 133 L HN -0.041 nan 8.230 nan 0.000 0.459 134 D N 1.362 121.784 120.400 0.038 0.000 2.458 134 D HA 0.230 4.868 4.640 -0.004 0.000 0.243 134 D C 1.289 177.542 176.300 -0.078 0.000 1.146 134 D CA 1.217 55.311 54.000 0.156 0.000 0.877 134 D CB 1.164 42.048 40.800 0.140 0.000 1.176 134 D HN 0.257 nan 8.370 nan 0.000 0.461 135 G N 1.015 109.661 108.800 -0.256 0.000 2.162 135 G HA2 -0.288 3.670 3.960 -0.004 0.000 0.260 135 G HA3 -0.288 3.670 3.960 -0.004 0.000 0.260 135 G C 0.832 174.949 174.900 -1.304 0.000 0.976 135 G CA 0.400 44.936 45.100 -0.941 0.000 0.655 135 G HN 0.455 nan 8.290 nan 0.000 0.533 136 V N -0.456 119.062 119.914 -0.661 0.000 3.137 136 V HA 0.309 4.427 4.120 -0.004 0.000 0.236 136 V C 0.892 176.841 176.094 -0.242 0.000 1.260 136 V CA 0.829 62.868 62.300 -0.433 0.000 1.244 136 V CB 0.206 31.876 31.823 -0.254 0.000 1.016 136 V HN 0.480 nan 8.190 nan 0.000 0.477 137 H N -0.084 119.197 119.070 0.351 0.000 2.524 137 H HA 0.529 5.082 4.556 -0.004 0.000 0.353 137 H C -0.925 174.792 175.328 0.648 0.000 1.136 137 H CA -0.538 55.840 56.048 0.549 0.000 1.193 137 H CB 2.488 32.635 29.762 0.641 0.000 1.558 137 H HN 0.009 nan 8.280 nan 0.000 0.515 138 V N 4.140 124.368 119.914 0.524 0.000 2.405 138 V HA 0.021 4.139 4.120 -0.004 0.000 0.264 138 V C 0.526 176.799 176.094 0.300 0.000 1.048 138 V CA -0.454 62.020 62.300 0.290 0.000 0.966 138 V CB 0.710 32.559 31.823 0.043 0.000 1.015 138 V HN 0.410 nan 8.190 nan 0.000 0.477 139 V N 7.038 127.044 119.914 0.155 0.000 2.530 139 V HA 0.284 4.402 4.120 -0.004 0.000 0.282 139 V C 0.471 176.675 176.094 0.182 0.000 1.048 139 V CA 0.160 62.461 62.300 0.000 0.000 0.997 139 V CB 0.698 32.388 31.823 -0.221 0.000 0.987 139 V HN 0.940 nan 8.190 nan 0.000 0.477 140 F N 1.561 121.493 119.950 -0.031 0.000 2.960 140 F HA 0.802 5.327 4.527 -0.004 0.000 0.345 140 F C 0.402 176.178 175.800 -0.039 0.000 1.147 140 F CA 0.013 58.031 58.000 0.029 0.000 1.099 140 F CB 0.235 39.223 39.000 -0.019 0.000 1.219 140 F HN 0.601 nan 8.300 nan 0.000 0.525 141 G N 0.835 109.323 108.800 -0.521 0.000 2.550 141 G HA2 0.568 4.526 3.960 -0.004 0.000 0.293 141 G HA3 0.568 4.526 3.960 -0.004 0.000 0.293 141 G C -2.715 171.940 174.900 -0.409 0.000 1.402 141 G CA -0.780 43.882 45.100 -0.729 0.000 0.784 141 G HN 0.331 nan 8.290 nan 0.000 0.482 142 L N -0.074 120.938 121.223 -0.352 0.000 2.526 142 L HA 0.670 5.008 4.340 -0.004 0.000 0.263 142 L C -0.665 176.178 176.870 -0.045 0.000 0.943 142 L CA -0.638 54.167 54.840 -0.059 0.000 0.859 142 L CB 2.087 44.208 42.059 0.103 0.000 1.313 142 L HN 0.545 nan 8.230 nan 0.000 0.406 143 V N 5.946 125.869 119.914 0.014 0.000 2.529 143 V HA 0.114 4.232 4.120 -0.004 0.000 0.292 143 V C 1.342 177.334 176.094 -0.170 0.000 1.028 143 V CA 0.775 62.942 62.300 -0.221 0.000 1.074 143 V CB 0.805 32.453 31.823 -0.291 0.000 0.958 143 V HN 0.790 nan 8.190 nan 0.000 0.481 144 I N 1.497 121.881 120.570 -0.310 0.000 4.139 144 I HA 0.487 4.654 4.170 -0.004 0.000 0.335 144 I C 0.583 176.506 176.117 -0.324 0.000 1.327 144 I CA 0.224 61.444 61.300 -0.135 0.000 1.112 144 I CB 0.748 38.713 38.000 -0.059 0.000 1.058 144 I HN 0.524 nan 8.210 nan 0.000 0.396 145 S N 0.231 115.480 115.700 -0.753 0.000 2.552 145 S HA 0.620 5.088 4.470 -0.004 0.000 0.272 145 S C 0.109 174.151 174.600 -0.930 0.000 1.150 145 S CA 0.210 57.957 58.200 -0.755 0.000 0.849 145 S CB 1.425 64.414 63.200 -0.352 0.000 1.113 145 S HN 0.976 nan 8.310 nan 0.000 0.458 146 G N 1.904 110.257 108.800 -0.744 0.000 2.141 146 G HA2 -0.193 3.764 3.960 -0.004 0.000 0.195 146 G HA3 -0.193 3.764 3.960 -0.004 0.000 0.195 146 G C 0.340 174.917 174.900 -0.540 0.000 1.012 146 G CA 0.269 45.060 45.100 -0.515 0.000 0.696 146 G HN 0.650 nan 8.290 nan 0.000 0.508 147 F N 1.685 121.428 119.950 -0.345 0.000 2.171 147 F HA -0.052 4.473 4.527 -0.003 0.000 0.300 147 F C 2.698 178.377 175.800 -0.202 0.000 1.090 147 F CA 1.635 59.348 58.000 -0.477 0.000 1.293 147 F CB -0.157 38.432 39.000 -0.685 0.000 1.013 147 F HN 0.435 nan 8.300 nan 0.000 0.486 148 E N 0.989 121.196 120.200 0.011 0.000 2.110 148 E HA -0.140 4.208 4.350 -0.004 0.000 0.193 148 E C 2.148 178.747 176.600 -0.002 0.000 0.988 148 E CA 1.629 58.042 56.400 0.022 0.000 0.804 148 E CB -1.266 28.441 29.700 0.011 0.000 0.745 148 E HN 0.327 nan 8.360 nan 0.000 0.458 149 V N 1.758 121.642 119.914 -0.051 0.000 2.307 149 V HA -0.225 3.893 4.120 -0.004 0.000 0.245 149 V C 2.712 178.779 176.094 -0.046 0.000 1.045 149 V CA 1.718 63.988 62.300 -0.050 0.000 1.024 149 V CB -0.570 31.209 31.823 -0.073 0.000 0.651 149 V HN 0.127 nan 8.190 nan 0.000 0.449 150 I N 0.183 120.728 120.570 -0.041 0.000 2.208 150 I HA -0.270 3.898 4.170 -0.004 0.000 0.245 150 I C 2.579 178.735 176.117 0.066 0.000 1.097 150 I CA 1.800 63.110 61.300 0.017 0.000 1.363 150 I CB -0.443 37.648 38.000 0.152 0.000 1.051 150 I HN 0.384 nan 8.210 nan 0.000 0.413 151 E N 0.155 120.424 120.200 0.116 0.000 2.077 151 E HA -0.303 4.045 4.350 -0.004 0.000 0.193 151 E C 2.145 178.777 176.600 0.053 0.000 0.989 151 E CA 1.110 57.577 56.400 0.111 0.000 0.800 151 E CB -0.200 29.579 29.700 0.132 0.000 0.746 151 E HN 0.520 nan 8.360 nan 0.000 0.452 152 Q N 0.839 120.657 119.800 0.031 0.000 2.061 152 Q HA -0.195 4.143 4.340 -0.004 0.000 0.204 152 Q C 2.207 178.209 176.000 0.004 0.000 0.984 152 Q CA 1.392 57.206 55.803 0.018 0.000 0.846 152 Q CB -0.048 28.697 28.738 0.012 0.000 0.902 152 Q HN 0.294 nan 8.270 nan 0.000 0.421 153 I N 0.515 121.067 120.570 -0.030 0.000 2.179 153 I HA -0.271 3.897 4.170 -0.004 0.000 0.242 153 I C 2.476 178.571 176.117 -0.037 0.000 1.088 153 I CA 1.432 62.693 61.300 -0.065 0.000 1.357 153 I CB -0.433 37.444 38.000 -0.205 0.000 1.051 153 I HN 0.376 nan 8.210 nan 0.000 0.409 154 E N 1.125 121.312 120.200 -0.021 0.000 2.171 154 E HA -0.259 4.089 4.350 -0.004 0.000 0.197 154 E C 1.459 178.072 176.600 0.022 0.000 0.997 154 E CA 1.275 57.679 56.400 0.007 0.000 0.810 154 E CB 0.025 29.747 29.700 0.037 0.000 0.738 154 E HN 0.470 nan 8.360 nan 0.000 0.467 155 N N 0.179 118.896 118.700 0.027 0.000 2.398 155 N HA 0.048 4.785 4.740 -0.004 0.000 0.188 155 N C -0.011 175.522 175.510 0.040 0.000 1.122 155 N CA 0.147 53.218 53.050 0.035 0.000 0.866 155 N CB 0.220 38.729 38.487 0.037 0.000 0.970 155 N HN 0.167 nan 8.380 nan 0.000 0.462 156 L N 1.329 122.575 121.223 0.039 0.000 2.456 156 L HA 0.063 4.401 4.340 -0.004 0.000 0.272 156 L C 0.924 177.839 176.870 0.076 0.000 1.189 156 L CA -0.424 54.450 54.840 0.057 0.000 0.846 156 L CB 0.357 42.449 42.059 0.055 0.000 1.111 156 L HN -0.138 nan 8.230 nan 0.000 0.475 157 K N 2.057 122.527 120.400 0.117 0.000 2.484 157 K HA 0.104 4.422 4.320 -0.004 0.000 0.280 157 K C -0.229 176.487 176.600 0.193 0.000 1.013 157 K CA 0.161 56.555 56.287 0.178 0.000 1.029 157 K CB 0.474 33.111 32.500 0.229 0.000 0.902 157 K HN 0.711 nan 8.250 nan 0.000 0.481 158 T N 0.546 115.166 114.554 0.110 0.000 2.906 158 T HA 0.424 4.772 4.350 -0.004 0.000 0.295 158 T C -0.493 174.131 174.700 -0.126 0.000 1.075 158 T CA -1.013 61.020 62.100 -0.111 0.000 1.005 158 T CB 1.193 70.017 68.868 -0.073 0.000 1.136 158 T HN 0.605 nan 8.240 nan 0.000 0.498 159 D N 1.001 121.150 120.400 -0.418 0.000 2.398 159 D HA 0.406 5.043 4.640 -0.004 0.000 0.264 159 D C 1.754 178.029 176.300 -0.043 0.000 1.263 159 D CA -0.161 53.739 54.000 -0.167 0.000 1.037 159 D CB -0.137 40.513 40.800 -0.251 0.000 1.101 159 D HN 0.704 nan 8.370 nan 0.000 0.551 160 A N -0.627 122.196 122.820 0.005 0.000 2.019 160 A HA 0.091 4.409 4.320 -0.004 0.000 0.219 160 A C 2.007 179.587 177.584 -0.007 0.000 1.164 160 A CA 1.910 53.953 52.037 0.009 0.000 0.644 160 A CB -1.095 17.916 19.000 0.020 0.000 0.805 160 A HN 0.692 nan 8.150 nan 0.000 0.449 161 A N -1.538 121.268 122.820 -0.023 0.000 2.337 161 A HA 0.460 4.777 4.320 -0.004 0.000 0.227 161 A C 1.057 178.625 177.584 -0.026 0.000 1.259 161 A CA 0.812 52.839 52.037 -0.017 0.000 0.870 161 A CB -0.596 18.397 19.000 -0.012 0.000 0.927 161 A HN 0.891 nan 8.150 nan 0.000 0.497 162 S N -1.225 114.450 115.700 -0.042 0.000 3.561 162 S HA -0.191 4.276 4.470 -0.004 0.000 0.318 162 S C 0.378 174.936 174.600 -0.070 0.000 1.181 162 S CA 1.191 59.364 58.200 -0.045 0.000 0.916 162 S CB -1.422 61.768 63.200 -0.016 0.000 0.966 162 S HN 0.903 nan 8.310 nan 0.000 0.550 163 R N 1.722 122.157 120.500 -0.109 0.000 2.254 163 R HA 0.354 4.691 4.340 -0.004 0.000 0.318 163 R C -2.916 173.249 176.300 -0.225 0.000 1.031 163 R CA -1.984 54.046 56.100 -0.116 0.000 0.905 163 R CB 0.565 30.812 30.300 -0.088 0.000 1.050 163 R HN -0.015 nan 8.270 nan 0.000 0.456 164 P HA -0.017 nan 4.420 nan 0.000 0.268 164 P C -0.530 176.680 177.300 -0.150 0.000 1.205 164 P CA 0.176 63.214 63.100 -0.103 0.000 0.771 164 P CB 0.322 32.033 31.700 0.018 0.000 0.858 165 Y N 1.597 121.924 120.300 0.044 0.000 2.337 165 Y HA 0.055 4.603 4.550 -0.004 0.000 0.293 165 Y C 1.757 177.683 175.900 0.043 0.000 1.123 165 Y CA 0.925 59.049 58.100 0.040 0.000 1.201 165 Y CB -0.840 37.639 38.460 0.032 0.000 1.011 165 Y HN 0.315 nan 8.280 nan 0.000 0.545 166 A N 0.373 123.310 122.820 0.195 0.000 2.346 166 A HA 0.133 4.450 4.320 -0.004 0.000 0.252 166 A C -0.582 177.068 177.584 0.109 0.000 1.089 166 A CA -0.279 51.837 52.037 0.132 0.000 0.797 166 A CB -0.125 18.940 19.000 0.109 0.000 1.047 166 A HN 0.275 nan 8.150 nan 0.000 0.494 167 D N 0.299 120.757 120.400 0.096 0.000 2.365 167 D HA 0.401 5.039 4.640 -0.004 0.000 0.237 167 D C -0.869 175.494 176.300 0.105 0.000 1.190 167 D CA 0.135 54.191 54.000 0.092 0.000 0.867 167 D CB 0.454 41.301 40.800 0.077 0.000 1.050 167 D HN 0.133 nan 8.370 nan 0.000 0.491 168 V N 5.048 125.041 119.914 0.133 0.000 2.313 168 V HA 0.451 4.568 4.120 -0.004 0.000 0.278 168 V C 0.110 176.336 176.094 0.221 0.000 1.017 168 V CA -0.821 61.586 62.300 0.178 0.000 0.823 168 V CB 0.811 32.763 31.823 0.215 0.000 1.010 168 V HN 0.416 nan 8.190 nan 0.000 0.443 169 R N 3.717 124.324 120.500 0.179 0.000 2.534 169 R HA 0.619 4.957 4.340 -0.004 0.000 0.301 169 R C -1.125 175.251 176.300 0.127 0.000 0.961 169 R CA -0.497 55.680 56.100 0.129 0.000 0.871 169 R CB 1.959 32.310 30.300 0.085 0.000 1.170 169 R HN 0.438 nan 8.270 nan 0.000 0.446 170 V N 7.305 127.248 119.914 0.050 0.000 2.352 170 V HA 0.078 4.196 4.120 -0.004 0.000 0.253 170 V C 1.177 177.259 176.094 -0.019 0.000 1.083 170 V CA 0.011 62.289 62.300 -0.037 0.000 0.993 170 V CB 0.365 31.982 31.823 -0.344 0.000 1.111 170 V HN 0.801 nan 8.190 nan 0.000 0.490 171 I N 2.670 123.264 120.570 0.039 0.000 2.617 171 I HA 0.116 4.284 4.170 -0.004 0.000 0.256 171 I C 0.725 176.862 176.117 0.034 0.000 1.167 171 I CA 1.213 62.537 61.300 0.039 0.000 1.469 171 I CB 0.165 38.200 38.000 0.058 0.000 1.098 171 I HN 0.707 nan 8.210 nan 0.000 0.436 172 D N -1.441 118.991 120.400 0.053 0.000 2.609 172 D HA 0.492 5.130 4.640 -0.004 0.000 0.239 172 D C -1.426 174.899 176.300 0.041 0.000 1.229 172 D CA -0.294 53.742 54.000 0.060 0.000 0.808 172 D CB 1.858 42.734 40.800 0.127 0.000 1.448 172 D HN 0.164 nan 8.370 nan 0.000 0.433 173 C N 0.242 119.511 119.300 -0.052 0.000 3.321 173 C HA 1.118 5.576 4.460 -0.004 0.000 0.329 173 C C 0.006 174.787 174.990 -0.348 0.000 1.394 173 C CA -0.196 58.685 59.018 -0.229 0.000 1.291 173 C CB 1.180 28.899 27.740 -0.035 0.000 1.606 173 C HN 0.811 nan 8.230 nan 0.000 0.463 174 G N -0.367 108.124 108.800 -0.515 0.000 2.441 174 G HA2 0.592 4.550 3.960 -0.004 0.000 0.294 174 G HA3 0.592 4.550 3.960 -0.004 0.000 0.294 174 G C -2.053 172.825 174.900 -0.036 0.000 1.393 174 G CA -0.296 44.708 45.100 -0.160 0.000 0.796 174 G HN 1.303 nan 8.290 nan 0.000 0.494 175 V N 0.641 120.581 119.914 0.045 0.000 2.532 175 V HA 0.579 4.697 4.120 -0.004 0.000 0.295 175 V C 0.363 176.525 176.094 0.113 0.000 1.041 175 V CA -0.579 61.766 62.300 0.074 0.000 0.926 175 V CB 1.335 33.178 31.823 0.034 0.000 0.992 175 V HN 0.606 nan 8.190 nan 0.000 0.457 176 L N 3.143 124.437 121.223 0.117 0.000 2.399 176 L HA 0.689 5.027 4.340 -0.004 0.000 0.265 176 L C 0.891 177.794 176.870 0.056 0.000 1.089 176 L CA -0.473 54.423 54.840 0.093 0.000 0.802 176 L CB 1.105 43.215 42.059 0.085 0.000 1.180 176 L HN 0.770 nan 8.230 nan 0.000 0.454 177 A N 0.000 122.844 122.820 0.040 0.000 2.254 177 A HA 0.000 4.318 4.320 -0.004 0.000 0.244 177 A CA 0.000 52.053 52.037 0.027 0.000 0.836 177 A CB 0.000 19.011 19.000 0.019 0.000 0.831 177 A HN 0.000 nan 8.150 nan 0.000 0.486