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 1bu2_1_A DATA FIRST_RESID 22 DATA SEQUENCE RVLNNLKLRE LLLPKFTSLW EIQTEVTVDN RTILLTWMHL LCESFELDKS DATA SEQUENCE VFPLSVSILD RYLCKKQGTK KTLQKIGAAC VLIGSKIRTV KPMTVSKLTY DATA SEQUENCE LSCDCFTNLE LINQEKDILE ALKWDTEAVL ATDFLIPLCN ALKIPEDLWP DATA SEQUENCE QLYEAASTTI CKALIQPNIA LLSPGLICAG GLLTTIETDN TNCRPWTCYL DATA SEQUENCE EDLSSILNFS TNTVRTVKDQ VSEAFSLYD 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 22 R HA 0.000 nan 4.340 nan 0.000 0.208 22 R C 0.000 176.284 176.300 -0.027 0.000 0.893 22 R CA 0.000 56.097 56.100 -0.005 0.000 0.921 22 R CB 0.000 30.303 30.300 0.005 0.000 0.687 23 V N -0.153 119.730 119.914 -0.052 0.000 3.499 23 V HA 0.334 4.454 4.120 -0.000 0.000 0.308 23 V C 1.463 177.480 176.094 -0.129 0.000 1.319 23 V CA 0.737 62.987 62.300 -0.083 0.000 1.194 23 V CB -0.340 31.424 31.823 -0.099 0.000 1.072 23 V HN 0.685 nan 8.190 nan 0.000 0.426 24 L N -0.035 121.126 121.223 -0.103 0.000 2.179 24 L HA 0.032 4.372 4.340 -0.000 0.000 0.208 24 L C 2.590 179.422 176.870 -0.063 0.000 1.096 24 L CA 1.070 55.839 54.840 -0.119 0.000 0.779 24 L CB -0.506 41.530 42.059 -0.039 0.000 0.922 24 L HN 0.380 nan 8.230 nan 0.000 0.443 25 N N 0.383 119.063 118.700 -0.033 0.000 2.084 25 N HA -0.160 4.580 4.740 -0.000 0.000 0.190 25 N C 1.497 176.995 175.510 -0.020 0.000 1.030 25 N CA 1.256 54.299 53.050 -0.012 0.000 0.849 25 N CB -0.411 38.072 38.487 -0.007 0.000 1.012 25 N HN 0.393 nan 8.380 nan 0.000 0.423 26 N N 1.708 120.384 118.700 -0.039 0.000 2.043 26 N HA -0.119 4.621 4.740 -0.000 0.000 0.193 26 N C 2.090 177.570 175.510 -0.048 0.000 1.037 26 N CA 0.725 53.751 53.050 -0.040 0.000 0.851 26 N CB -0.665 37.792 38.487 -0.050 0.000 1.027 26 N HN 0.240 nan 8.380 nan 0.000 0.422 27 L N 1.636 122.794 121.223 -0.108 0.000 2.013 27 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 27 L C 2.909 179.793 176.870 0.024 0.000 1.073 27 L CA 2.198 56.950 54.840 -0.148 0.000 0.753 27 L CB -0.793 40.958 42.059 -0.513 0.000 0.890 27 L HN 0.320 nan 8.230 nan 0.000 0.432 28 K N 0.038 120.472 120.400 0.057 0.000 2.147 28 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 28 K C 1.834 178.475 176.600 0.068 0.000 1.049 28 K CA 1.437 57.797 56.287 0.121 0.000 0.936 28 K CB -0.905 31.653 32.500 0.097 0.000 0.722 28 K HN 0.283 nan 8.250 nan 0.000 0.446 29 L N 0.446 121.689 121.223 0.034 0.000 1.973 29 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 29 L C 2.821 179.703 176.870 0.020 0.000 1.073 29 L CA 1.640 56.492 54.840 0.020 0.000 0.746 29 L CB -0.224 41.839 42.059 0.007 0.000 0.891 29 L HN 0.536 nan 8.230 nan 0.000 0.433 30 R N 0.142 120.651 120.500 0.015 0.000 2.369 30 R HA -0.144 4.196 4.340 -0.000 0.000 0.200 30 R C 1.456 177.773 176.300 0.028 0.000 1.046 30 R CA 0.884 56.992 56.100 0.014 0.000 1.057 30 R CB -0.398 29.905 30.300 0.005 0.000 0.888 30 R HN 0.491 nan 8.270 nan 0.000 0.474 31 E N 1.128 121.359 120.200 0.052 0.000 2.400 31 E HA 0.031 4.381 4.350 -0.000 0.000 0.195 31 E C 1.422 178.037 176.600 0.025 0.000 1.012 31 E CA 0.023 56.466 56.400 0.072 0.000 0.875 31 E CB 0.224 30.016 29.700 0.153 0.000 0.859 31 E HN 0.448 nan 8.360 nan 0.000 0.498 32 L N 0.620 121.853 121.223 0.017 0.000 2.509 32 L HA 0.063 4.403 4.340 -0.000 0.000 0.222 32 L C 2.367 179.227 176.870 -0.016 0.000 1.123 32 L CA 0.197 55.036 54.840 -0.002 0.000 0.856 32 L CB 0.081 42.142 42.059 0.005 0.000 0.985 32 L HN 0.199 nan 8.230 nan 0.000 0.456 33 L N -0.162 121.054 121.223 -0.012 0.000 2.645 33 L HA 0.263 4.603 4.340 -0.000 0.000 0.235 33 L C 0.844 177.688 176.870 -0.043 0.000 1.150 33 L CA 0.515 55.343 54.840 -0.020 0.000 0.911 33 L CB -1.193 40.860 42.059 -0.009 0.000 1.077 33 L HN 0.115 nan 8.230 nan 0.000 0.438 34 L N 1.702 122.890 121.223 -0.059 0.000 2.305 34 L HA 0.434 4.774 4.340 -0.000 0.000 0.281 34 L C -1.631 175.133 176.870 -0.177 0.000 1.085 34 L CA -1.943 52.830 54.840 -0.112 0.000 0.813 34 L CB 1.294 43.291 42.059 -0.103 0.000 1.157 34 L HN 0.196 nan 8.230 nan 0.000 0.436 35 P HA 0.088 nan 4.420 nan 0.000 0.266 35 P C -0.411 176.623 177.300 -0.444 0.000 1.215 35 P CA -0.233 62.666 63.100 -0.335 0.000 0.763 35 P CB 0.452 31.930 31.700 -0.369 0.000 0.806 36 K N 3.830 124.103 120.400 -0.213 0.000 2.083 36 K HA 0.109 4.429 4.320 -0.000 0.000 0.246 36 K C 0.767 177.356 176.600 -0.019 0.000 1.160 36 K CA -0.309 55.904 56.287 -0.124 0.000 1.060 36 K CB -1.462 31.010 32.500 -0.047 0.000 1.417 36 K HN 0.178 nan 8.250 nan 0.000 0.329 37 F N 1.627 121.587 119.950 0.018 0.000 2.024 37 F HA -0.163 4.364 4.527 -0.000 0.000 0.296 37 F C 2.864 178.676 175.800 0.021 0.000 1.137 37 F CA 2.927 60.943 58.000 0.027 0.000 1.200 37 F CB -1.119 37.906 39.000 0.040 0.000 0.954 37 F HN 0.837 nan 8.300 nan 0.000 0.497 38 T N -2.685 112.008 114.554 0.232 0.000 8.466 38 T HA -0.174 4.176 4.350 -0.000 0.000 0.319 38 T C 0.881 175.638 174.700 0.095 0.000 2.022 38 T CA 1.676 63.848 62.100 0.119 0.000 3.147 38 T CB -2.328 66.591 68.868 0.084 0.000 2.153 38 T HN 1.063 nan 8.240 nan 0.000 1.109 39 S N 0.217 115.987 115.700 0.116 0.000 2.359 39 S HA 0.675 5.145 4.470 -0.000 0.000 0.148 39 S C 0.159 174.759 174.600 0.001 0.000 1.610 39 S CA -0.280 57.951 58.200 0.052 0.000 1.274 39 S CB 0.063 63.294 63.200 0.051 0.000 1.380 39 S HN 0.836 nan 8.310 nan 0.000 0.380 40 L N 2.636 123.833 121.223 -0.043 0.000 2.894 40 L HA -0.072 4.268 4.340 -0.000 0.000 0.286 40 L C -0.048 176.841 176.870 0.031 0.000 1.077 40 L CA 0.607 55.361 54.840 -0.142 0.000 1.070 40 L CB -0.746 41.174 42.059 -0.233 0.000 1.470 40 L HN 0.839 nan 8.230 nan 0.000 0.452 41 W N 0.338 121.467 121.300 -0.285 0.000 3.038 41 W HA -0.263 4.397 4.660 0.000 0.000 0.317 41 W C 1.574 178.014 176.519 -0.131 0.000 1.226 41 W CA 0.773 58.000 57.345 -0.197 0.000 0.612 41 W CB -2.065 27.307 29.460 -0.145 0.000 2.296 41 W HN 0.699 nan 8.180 nan 0.000 1.251 42 E N 0.269 120.510 120.200 0.069 0.000 2.114 42 E HA -0.210 4.140 4.350 -0.000 0.000 0.199 42 E C 1.640 178.246 176.600 0.009 0.000 1.008 42 E CA 2.225 58.645 56.400 0.034 0.000 0.810 42 E CB -0.658 29.054 29.700 0.021 0.000 0.739 42 E HN 0.458 nan 8.360 nan 0.000 0.456 43 I N 0.764 121.319 120.570 -0.026 0.000 2.916 43 I HA 0.002 4.172 4.170 -0.000 0.000 0.267 43 I C 2.215 178.291 176.117 -0.067 0.000 1.263 43 I CA 0.643 61.909 61.300 -0.057 0.000 1.471 43 I CB -0.843 37.099 38.000 -0.097 0.000 1.089 43 I HN 0.497 nan 8.210 nan 0.000 0.468 44 Q N 1.206 120.976 119.800 -0.050 0.000 2.286 44 Q HA 0.149 4.489 4.340 -0.000 0.000 0.267 44 Q C 0.837 176.834 176.000 -0.006 0.000 1.028 44 Q CA 0.394 56.168 55.803 -0.048 0.000 0.901 44 Q CB -0.038 28.701 28.738 0.001 0.000 1.183 44 Q HN 0.260 nan 8.270 nan 0.000 0.392 45 T N 1.695 116.234 114.554 -0.026 0.000 2.764 45 T HA -0.058 4.292 4.350 -0.000 0.000 0.243 45 T C 1.373 176.076 174.700 0.005 0.000 1.065 45 T CA 1.171 63.265 62.100 -0.011 0.000 1.219 45 T CB -0.051 68.804 68.868 -0.023 0.000 0.918 45 T HN 0.823 nan 8.240 nan 0.000 0.409 46 E N 0.924 121.122 120.200 -0.002 0.000 1.992 46 E HA -0.073 4.277 4.350 -0.000 0.000 0.202 46 E C 1.083 177.707 176.600 0.040 0.000 1.007 46 E CA 1.030 57.437 56.400 0.011 0.000 0.857 46 E CB -0.632 29.068 29.700 0.001 0.000 0.796 46 E HN 0.397 nan 8.360 nan 0.000 0.486 47 V N 0.964 120.909 119.914 0.053 0.000 2.814 47 V HA 0.055 4.175 4.120 -0.000 0.000 0.307 47 V C 0.120 176.337 176.094 0.206 0.000 1.089 47 V CA 0.359 62.741 62.300 0.135 0.000 1.212 47 V CB 0.410 32.317 31.823 0.141 0.000 0.912 47 V HN 0.429 nan 8.190 nan 0.000 0.497 48 T N 0.352 115.041 114.554 0.225 0.000 2.838 48 T HA 0.487 4.837 4.350 -0.000 0.000 0.292 48 T C 0.689 175.419 174.700 0.051 0.000 1.113 48 T CA 0.040 62.239 62.100 0.166 0.000 1.008 48 T CB 1.293 70.200 68.868 0.064 0.000 1.259 48 T HN 0.867 nan 8.240 nan 0.000 0.520 49 V N 1.443 121.304 119.914 -0.088 0.000 2.428 49 V HA -0.268 3.852 4.120 -0.000 0.000 0.255 49 V C 1.940 177.864 176.094 -0.284 0.000 1.080 49 V CA 3.157 65.268 62.300 -0.315 0.000 1.083 49 V CB -1.249 30.446 31.823 -0.213 0.000 0.665 49 V HN 1.035 nan 8.190 nan 0.000 0.461 50 D N -1.661 118.660 120.400 -0.131 0.000 2.317 50 D HA -0.102 4.538 4.640 -0.000 0.000 0.211 50 D C 1.670 177.939 176.300 -0.052 0.000 0.966 50 D CA 0.709 54.657 54.000 -0.087 0.000 0.876 50 D CB -0.514 40.260 40.800 -0.042 0.000 0.927 50 D HN 0.440 nan 8.370 nan 0.000 0.519 51 N N 0.360 119.054 118.700 -0.010 0.000 2.446 51 N HA -0.035 4.705 4.740 -0.000 0.000 0.179 51 N C 1.563 177.123 175.510 0.084 0.000 1.054 51 N CA 0.192 53.295 53.050 0.088 0.000 0.905 51 N CB 0.107 38.719 38.487 0.208 0.000 0.973 51 N HN 0.284 nan 8.380 nan 0.000 0.448 52 R N 0.763 121.132 120.500 -0.218 0.000 2.075 52 R HA 0.013 4.353 4.340 -0.000 0.000 0.226 52 R C 1.586 177.802 176.300 -0.140 0.000 1.114 52 R CA 1.269 57.110 56.100 -0.433 0.000 0.972 52 R CB -0.072 29.398 30.300 -1.384 0.000 0.869 52 R HN -0.023 nan 8.270 nan 0.000 0.437 53 T N 1.294 115.765 114.554 -0.138 0.000 2.788 53 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 53 T C 1.794 176.518 174.700 0.039 0.000 1.044 53 T CA 1.375 63.447 62.100 -0.047 0.000 1.139 53 T CB -0.070 68.763 68.868 -0.059 0.000 0.867 53 T HN 0.185 nan 8.240 nan 0.000 0.454 54 I N 0.516 121.118 120.570 0.053 0.000 2.163 54 I HA -0.118 4.052 4.170 -0.000 0.000 0.240 54 I C 2.353 178.587 176.117 0.194 0.000 1.081 54 I CA 0.881 62.242 61.300 0.102 0.000 1.353 54 I CB -0.405 37.641 38.000 0.076 0.000 1.054 54 I HN 0.167 nan 8.210 nan 0.000 0.407 55 L N 0.913 122.266 121.223 0.216 0.000 2.042 55 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 55 L C 2.258 179.391 176.870 0.438 0.000 1.076 55 L CA 1.883 56.924 54.840 0.335 0.000 0.749 55 L CB -0.537 41.723 42.059 0.335 0.000 0.893 55 L HN 0.162 nan 8.230 nan 0.000 0.432 56 L N -1.438 119.985 121.223 0.333 0.000 2.275 56 L HA -0.154 4.186 4.340 -0.000 0.000 0.215 56 L C 2.169 179.261 176.870 0.370 0.000 1.119 56 L CA 1.322 56.400 54.840 0.398 0.000 0.790 56 L CB -0.799 41.446 42.059 0.309 0.000 0.919 56 L HN 0.310 nan 8.230 nan 0.000 0.443 57 T N -1.571 113.135 114.554 0.254 0.000 2.896 57 T HA -0.189 4.161 4.350 -0.000 0.000 0.263 57 T C 1.322 176.141 174.700 0.199 0.000 1.050 57 T CA 0.911 63.110 62.100 0.165 0.000 1.140 57 T CB -0.222 68.722 68.868 0.127 0.000 0.877 57 T HN 0.490 nan 8.240 nan 0.000 0.457 58 W N 1.930 123.304 121.300 0.122 0.000 2.378 58 W HA -0.018 4.642 4.660 -0.000 0.000 0.313 58 W C 1.986 178.590 176.519 0.141 0.000 1.197 58 W CA 1.042 58.456 57.345 0.117 0.000 1.304 58 W CB -0.442 29.091 29.460 0.121 0.000 1.148 58 W HN 0.129 nan 8.180 nan 0.000 0.494 59 M N -0.623 119.032 119.600 0.091 0.000 2.159 59 M HA -0.225 4.255 4.480 -0.000 0.000 0.263 59 M C 2.130 178.400 176.300 -0.050 0.000 1.063 59 M CA 2.154 57.439 55.300 -0.026 0.000 1.110 59 M CB -1.096 31.749 32.600 0.408 0.000 1.374 59 M HN 0.133 nan 8.290 nan 0.000 0.411 60 H N 0.678 119.599 119.070 -0.248 0.000 2.321 60 H HA -0.169 4.387 4.556 -0.000 0.000 0.300 60 H C 1.778 176.858 175.328 -0.413 0.000 1.087 60 H CA 1.909 57.495 56.048 -0.770 0.000 1.319 60 H CB -0.162 29.097 29.762 -0.839 0.000 1.379 60 H HN 0.235 nan 8.280 nan 0.000 0.501 61 L N -0.288 120.753 121.223 -0.303 0.000 2.083 61 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 61 L C 2.202 178.901 176.870 -0.285 0.000 1.083 61 L CA 1.439 56.109 54.840 -0.283 0.000 0.752 61 L CB -0.853 41.106 42.059 -0.165 0.000 0.899 61 L HN 0.411 nan 8.230 nan 0.000 0.433 62 L N -0.821 120.179 121.223 -0.371 0.000 2.027 62 L HA -0.207 4.133 4.340 -0.000 0.000 0.206 62 L C 2.473 179.312 176.870 -0.051 0.000 1.074 62 L CA 1.946 56.629 54.840 -0.262 0.000 0.745 62 L CB -0.888 40.811 42.059 -0.601 0.000 0.898 62 L HN 0.389 nan 8.230 nan 0.000 0.433 63 C N -0.355 118.850 119.300 -0.158 0.000 2.432 63 C HA -0.055 4.405 4.460 -0.000 0.000 0.280 63 C C 2.579 177.521 174.990 -0.079 0.000 1.353 63 C CA 0.319 59.287 59.018 -0.083 0.000 1.766 63 C CB -0.883 26.834 27.740 -0.039 0.000 1.924 63 C HN 0.538 nan 8.230 nan 0.000 0.509 64 E N 0.906 120.974 120.200 -0.220 0.000 2.112 64 E HA -0.044 4.306 4.350 -0.000 0.000 0.190 64 E C 2.562 179.099 176.600 -0.106 0.000 0.979 64 E CA 1.363 57.636 56.400 -0.213 0.000 0.814 64 E CB -0.645 28.839 29.700 -0.360 0.000 0.762 64 E HN 0.724 nan 8.360 nan 0.000 0.460 65 S N 0.145 115.798 115.700 -0.079 0.000 2.442 65 S HA -0.088 4.382 4.470 -0.000 0.000 0.236 65 S C 1.617 176.090 174.600 -0.211 0.000 1.007 65 S CA 0.934 59.051 58.200 -0.139 0.000 0.965 65 S CB -0.334 62.772 63.200 -0.156 0.000 0.773 65 S HN 0.035 nan 8.310 nan 0.000 0.504 66 F N 0.688 120.572 119.950 -0.109 0.000 2.721 66 F HA 0.251 4.778 4.527 -0.000 0.000 0.301 66 F C 0.611 176.376 175.800 -0.058 0.000 1.096 66 F CA -0.032 57.924 58.000 -0.072 0.000 1.308 66 F CB 0.120 39.082 39.000 -0.063 0.000 1.086 66 F HN 0.186 nan 8.300 nan 0.000 0.587 67 E N 1.149 121.394 120.200 0.075 0.000 2.297 67 E HA -0.227 4.123 4.350 -0.000 0.000 0.228 67 E C -0.404 176.231 176.600 0.059 0.000 1.213 67 E CA -0.054 56.365 56.400 0.031 0.000 0.712 67 E CB -1.921 27.785 29.700 0.009 0.000 1.202 67 E HN 0.391 nan 8.360 nan 0.000 0.376 68 L N 0.448 121.713 121.223 0.070 0.000 2.456 68 L HA 0.226 4.566 4.340 -0.000 0.000 0.257 68 L C 0.910 177.812 176.870 0.053 0.000 1.162 68 L CA -0.742 54.135 54.840 0.061 0.000 0.808 68 L CB 0.356 42.440 42.059 0.042 0.000 1.136 68 L HN -0.016 nan 8.230 nan 0.000 0.466 69 D N 1.032 121.466 120.400 0.058 0.000 2.563 69 D HA -0.062 4.578 4.640 -0.000 0.000 0.229 69 D C 0.881 177.230 176.300 0.083 0.000 1.159 69 D CA 0.295 54.339 54.000 0.074 0.000 0.869 69 D CB 0.514 41.356 40.800 0.070 0.000 1.203 69 D HN 0.317 nan 8.370 nan 0.000 0.478 70 K N 0.755 121.214 120.400 0.099 0.000 2.360 70 K HA -0.101 4.219 4.320 -0.000 0.000 0.201 70 K C 1.671 178.333 176.600 0.103 0.000 1.046 70 K CA 0.696 57.030 56.287 0.079 0.000 0.945 70 K CB -0.289 32.224 32.500 0.021 0.000 0.750 70 K HN 0.491 nan 8.250 nan 0.000 0.464 71 S N -0.513 115.250 115.700 0.106 0.000 2.501 71 S HA -0.003 4.467 4.470 -0.000 0.000 0.220 71 S C 2.049 176.693 174.600 0.072 0.000 0.997 71 S CA 0.181 58.435 58.200 0.090 0.000 0.919 71 S CB -0.211 63.037 63.200 0.081 0.000 0.778 71 S HN -0.051 nan 8.310 nan 0.000 0.523 72 V N 1.215 121.176 119.914 0.079 0.000 2.307 72 V HA -0.079 4.041 4.120 -0.000 0.000 0.245 72 V C 2.099 178.243 176.094 0.083 0.000 1.045 72 V CA 2.007 64.343 62.300 0.060 0.000 1.024 72 V CB -1.014 30.835 31.823 0.045 0.000 0.651 72 V HN 0.554 nan 8.190 nan 0.000 0.449 73 F N 2.867 122.823 119.950 0.009 0.000 2.084 73 F HA -0.010 4.517 4.527 -0.000 0.000 0.296 73 F C 0.037 175.866 175.800 0.048 0.000 1.111 73 F CA 1.452 59.470 58.000 0.031 0.000 1.224 73 F CB -1.619 37.422 39.000 0.069 0.000 0.991 73 F HN 0.196 nan 8.300 nan 0.000 0.471 74 P HA -0.216 nan 4.420 nan 0.000 0.219 74 P C 2.254 179.463 177.300 -0.152 0.000 1.146 74 P CA 1.558 64.562 63.100 -0.159 0.000 0.808 74 P CB -0.244 31.468 31.700 0.020 0.000 0.779 75 L N 0.291 121.461 121.223 -0.087 0.000 2.179 75 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 75 L C 2.666 179.489 176.870 -0.079 0.000 1.096 75 L CA 1.690 56.498 54.840 -0.054 0.000 0.779 75 L CB -0.488 41.560 42.059 -0.017 0.000 0.922 75 L HN 0.070 nan 8.230 nan 0.000 0.443 76 S N -1.208 114.417 115.700 -0.125 0.000 2.402 76 S HA -0.128 4.342 4.470 -0.000 0.000 0.229 76 S C 1.806 176.333 174.600 -0.122 0.000 1.021 76 S CA 1.076 59.211 58.200 -0.107 0.000 0.974 76 S CB -0.707 62.440 63.200 -0.088 0.000 0.800 76 S HN 0.239 nan 8.310 nan 0.000 0.484 77 V N 1.982 121.737 119.914 -0.265 0.000 2.295 77 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 77 V C 3.038 179.131 176.094 -0.002 0.000 1.049 77 V CA 2.034 64.221 62.300 -0.189 0.000 1.024 77 V CB -1.423 30.195 31.823 -0.341 0.000 0.648 77 V HN 0.695 nan 8.190 nan 0.000 0.447 78 S N -0.140 115.557 115.700 -0.004 0.000 2.359 78 S HA -0.199 4.271 4.470 -0.000 0.000 0.223 78 S C 2.002 176.674 174.600 0.120 0.000 1.039 78 S CA 1.869 60.118 58.200 0.082 0.000 1.042 78 S CB -0.319 62.900 63.200 0.031 0.000 0.915 78 S HN 0.389 nan 8.310 nan 0.000 0.439 79 I N 1.631 122.234 120.570 0.055 0.000 2.127 79 I HA -0.154 4.016 4.170 -0.000 0.000 0.241 79 I C 2.494 178.668 176.117 0.096 0.000 1.075 79 I CA 1.252 62.581 61.300 0.049 0.000 1.334 79 I CB -1.659 36.331 38.000 -0.016 0.000 1.040 79 I HN 0.402 nan 8.210 nan 0.000 0.405 80 L N 1.453 122.730 121.223 0.091 0.000 1.990 80 L HA -0.248 4.092 4.340 -0.000 0.000 0.213 80 L C 2.058 179.024 176.870 0.160 0.000 1.072 80 L CA 2.114 57.035 54.840 0.135 0.000 0.755 80 L CB -0.909 41.257 42.059 0.179 0.000 0.889 80 L HN 0.213 nan 8.230 nan 0.000 0.432 81 D N -0.953 119.593 120.400 0.243 0.000 2.310 81 D HA -0.121 4.519 4.640 -0.000 0.000 0.212 81 D C 2.228 178.546 176.300 0.030 0.000 0.965 81 D CA 0.763 54.880 54.000 0.196 0.000 0.879 81 D CB 0.022 40.924 40.800 0.170 0.000 0.921 81 D HN 0.473 nan 8.370 nan 0.000 0.510 82 R N -0.444 120.204 120.500 0.246 0.000 2.048 82 R HA -0.071 4.269 4.340 -0.000 0.000 0.224 82 R C 2.245 178.601 176.300 0.094 0.000 1.163 82 R CA 0.375 56.638 56.100 0.271 0.000 0.956 82 R CB -0.687 29.764 30.300 0.252 0.000 0.849 82 R HN 0.117 nan 8.270 nan 0.000 0.435 83 Y N 2.109 122.380 120.300 -0.048 0.000 2.029 83 Y HA -0.276 4.274 4.550 -0.000 0.000 0.269 83 Y C 1.797 177.584 175.900 -0.188 0.000 1.201 83 Y CA 1.741 59.770 58.100 -0.118 0.000 1.115 83 Y CB -0.557 37.821 38.460 -0.136 0.000 0.945 83 Y HN 0.024 nan 8.280 nan 0.000 0.497 84 L N -0.496 120.500 121.223 -0.378 0.000 2.622 84 L HA -0.122 4.218 4.340 -0.000 0.000 0.233 84 L C 2.185 178.749 176.870 -0.511 0.000 1.156 84 L CA 0.638 55.086 54.840 -0.654 0.000 0.866 84 L CB -0.557 40.877 42.059 -1.041 0.000 0.980 84 L HN 0.481 nan 8.230 nan 0.000 0.448 85 C N -0.513 118.597 119.300 -0.318 0.000 2.673 85 C HA 0.113 4.573 4.460 -0.000 0.000 0.274 85 C C 1.921 176.824 174.990 -0.144 0.000 1.276 85 C CA 0.103 59.006 59.018 -0.192 0.000 1.701 85 C CB -0.822 26.878 27.740 -0.067 0.000 1.836 85 C HN 0.454 nan 8.230 nan 0.000 0.596 86 K N -0.458 119.804 120.400 -0.231 0.000 2.826 86 K HA 0.173 4.493 4.320 -0.000 0.000 0.195 86 K C 0.300 176.739 176.600 -0.269 0.000 1.516 86 K CA -0.227 55.944 56.287 -0.194 0.000 1.213 86 K CB 0.133 32.552 32.500 -0.134 0.000 1.762 86 K HN 0.035 nan 8.250 nan 0.000 0.583 87 K N 1.641 121.765 120.400 -0.458 0.000 2.179 87 K HA 0.258 4.578 4.320 -0.000 0.000 0.238 87 K C -0.166 176.163 176.600 -0.452 0.000 1.033 87 K CA -0.221 55.778 56.287 -0.479 0.000 0.926 87 K CB 0.962 33.030 32.500 -0.720 0.000 1.151 87 K HN -0.101 nan 8.250 nan 0.000 0.492 88 Q N -0.536 119.070 119.800 -0.324 0.000 2.309 88 Q HA 0.558 4.898 4.340 -0.000 0.000 0.264 88 Q C -0.680 175.191 176.000 -0.215 0.000 1.008 88 Q CA -0.406 55.248 55.803 -0.248 0.000 0.853 88 Q CB 1.836 30.483 28.738 -0.151 0.000 1.314 88 Q HN 0.727 nan 8.270 nan 0.000 0.448 89 G N 0.648 109.325 108.800 -0.205 0.000 2.537 89 G HA2 0.665 4.625 3.960 -0.000 0.000 0.308 89 G HA3 0.665 4.625 3.960 -0.000 0.000 0.308 89 G C -1.046 173.803 174.900 -0.086 0.000 1.237 89 G CA -0.359 44.659 45.100 -0.136 0.000 0.968 89 G HN 0.715 nan 8.290 nan 0.000 0.481 90 T N -3.282 111.243 114.554 -0.047 0.000 2.932 90 T HA 0.631 4.981 4.350 -0.000 0.000 0.289 90 T C 1.369 176.061 174.700 -0.013 0.000 1.039 90 T CA 0.373 62.458 62.100 -0.026 0.000 1.024 90 T CB 1.577 70.434 68.868 -0.018 0.000 1.090 90 T HN 0.780 nan 8.240 nan 0.000 0.496 91 K N 0.215 120.614 120.400 -0.002 0.000 2.147 91 K HA 0.076 4.396 4.320 -0.000 0.000 0.205 91 K C 2.445 179.037 176.600 -0.013 0.000 1.049 91 K CA 2.074 58.364 56.287 0.005 0.000 0.936 91 K CB -1.707 30.797 32.500 0.007 0.000 0.722 91 K HN 0.960 nan 8.250 nan 0.000 0.446 92 K N 0.962 121.353 120.400 -0.015 0.000 2.486 92 K HA 0.007 4.327 4.320 -0.000 0.000 0.194 92 K C 1.976 178.571 176.600 -0.010 0.000 1.033 92 K CA 1.626 57.901 56.287 -0.020 0.000 1.004 92 K CB -0.700 31.792 32.500 -0.014 0.000 0.798 92 K HN 0.787 nan 8.250 nan 0.000 0.495 93 T N -3.244 111.308 114.554 -0.004 0.000 3.043 93 T HA 0.237 4.587 4.350 -0.000 0.000 0.272 93 T C 1.800 176.504 174.700 0.008 0.000 0.990 93 T CA 0.003 62.112 62.100 0.014 0.000 0.897 93 T CB -0.210 68.666 68.868 0.014 0.000 1.111 93 T HN 0.211 nan 8.240 nan 0.000 0.529 94 L N 0.783 122.001 121.223 -0.008 0.000 2.129 94 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 94 L C 2.929 179.794 176.870 -0.008 0.000 1.087 94 L CA 1.623 56.468 54.840 0.009 0.000 0.757 94 L CB -0.609 41.474 42.059 0.041 0.000 0.896 94 L HN 0.371 nan 8.230 nan 0.000 0.434 95 Q N -0.472 119.261 119.800 -0.112 0.000 2.172 95 Q HA -0.196 4.144 4.340 -0.000 0.000 0.200 95 Q C 2.164 178.241 176.000 0.127 0.000 0.964 95 Q CA 1.034 56.676 55.803 -0.269 0.000 0.855 95 Q CB 0.037 28.441 28.738 -0.556 0.000 0.918 95 Q HN 0.399 nan 8.270 nan 0.000 0.444 96 K N 1.130 121.609 120.400 0.131 0.000 2.001 96 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 96 K C 2.001 178.491 176.600 -0.183 0.000 1.048 96 K CA 0.964 57.140 56.287 -0.184 0.000 0.932 96 K CB -0.038 32.429 32.500 -0.055 0.000 0.715 96 K HN 0.086 nan 8.250 nan 0.000 0.437 97 I N 0.693 121.213 120.570 -0.083 0.000 2.118 97 I HA -0.254 3.916 4.170 -0.000 0.000 0.241 97 I C 2.444 178.535 176.117 -0.044 0.000 1.070 97 I CA 1.687 62.922 61.300 -0.108 0.000 1.327 97 I CB -0.734 37.254 38.000 -0.021 0.000 1.034 97 I HN 0.424 nan 8.210 nan 0.000 0.405 98 G N 0.041 108.905 108.800 0.107 0.000 2.470 98 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.220 98 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.220 98 G C 1.772 176.839 174.900 0.278 0.000 1.121 98 G CA 0.788 46.040 45.100 0.253 0.000 0.766 98 G HN 0.520 nan 8.290 nan 0.000 0.553 99 A N 0.897 123.867 122.820 0.249 0.000 1.930 99 A HA 0.484 4.804 4.320 -0.000 0.000 0.215 99 A C 2.738 180.273 177.584 -0.082 0.000 1.176 99 A CA 1.688 53.803 52.037 0.129 0.000 0.632 99 A CB -0.531 18.489 19.000 0.033 0.000 0.819 99 A HN 0.598 nan 8.150 nan 0.000 0.445 100 A N -0.812 121.916 122.820 -0.154 0.000 1.930 100 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 100 A C 2.237 179.727 177.584 -0.157 0.000 1.175 100 A CA 1.623 53.544 52.037 -0.194 0.000 0.627 100 A CB -1.206 17.639 19.000 -0.258 0.000 0.815 100 A HN 0.578 nan 8.150 nan 0.000 0.443 101 C N -1.277 117.951 119.300 -0.121 0.000 2.425 101 C HA -0.050 4.410 4.460 -0.000 0.000 0.277 101 C C 2.694 177.643 174.990 -0.069 0.000 1.280 101 C CA 1.009 59.971 59.018 -0.093 0.000 1.744 101 C CB -1.192 26.521 27.740 -0.044 0.000 1.989 101 C HN 0.454 nan 8.230 nan 0.000 0.491 102 V N 0.649 120.530 119.914 -0.054 0.000 2.515 102 V HA -0.162 3.958 4.120 -0.000 0.000 0.250 102 V C 2.272 178.303 176.094 -0.104 0.000 1.058 102 V CA 1.704 63.963 62.300 -0.068 0.000 1.064 102 V CB -0.612 31.157 31.823 -0.090 0.000 0.675 102 V HN 0.516 nan 8.190 nan 0.000 0.461 103 L N -0.043 121.109 121.223 -0.118 0.000 2.007 103 L HA -0.071 4.269 4.340 -0.000 0.000 0.205 103 L C 2.212 179.031 176.870 -0.085 0.000 1.073 103 L CA 1.840 56.611 54.840 -0.114 0.000 0.744 103 L CB -0.433 41.555 42.059 -0.119 0.000 0.898 103 L HN 0.179 nan 8.230 nan 0.000 0.435 104 I N -0.222 120.293 120.570 -0.092 0.000 2.145 104 I HA -0.312 3.858 4.170 -0.000 0.000 0.244 104 I C 2.450 178.537 176.117 -0.050 0.000 1.075 104 I CA 1.582 62.836 61.300 -0.076 0.000 1.332 104 I CB -1.255 36.682 38.000 -0.105 0.000 1.033 104 I HN 0.486 nan 8.210 nan 0.000 0.410 105 G N 0.487 109.256 108.800 -0.051 0.000 2.422 105 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 105 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 105 G C 1.783 176.671 174.900 -0.020 0.000 1.146 105 G CA 1.074 46.155 45.100 -0.031 0.000 0.769 105 G HN 0.532 nan 8.290 nan 0.000 0.547 106 S N 0.378 116.058 115.700 -0.033 0.000 2.406 106 S HA 0.036 4.506 4.470 -0.000 0.000 0.228 106 S C 2.003 176.596 174.600 -0.012 0.000 1.020 106 S CA 1.144 59.330 58.200 -0.023 0.000 0.965 106 S CB -0.169 63.003 63.200 -0.047 0.000 0.798 106 S HN 0.369 nan 8.310 nan 0.000 0.488 107 K N 1.082 121.471 120.400 -0.017 0.000 2.362 107 K HA 0.099 4.419 4.320 -0.000 0.000 0.200 107 K C 1.910 178.515 176.600 0.008 0.000 1.046 107 K CA 1.343 57.628 56.287 -0.003 0.000 0.952 107 K CB -0.330 32.168 32.500 -0.004 0.000 0.753 107 K HN 0.773 nan 8.250 nan 0.000 0.466 108 I N -3.696 116.878 120.570 0.006 0.000 4.032 108 I HA 0.088 4.258 4.170 -0.000 0.000 0.313 108 I C 1.686 177.811 176.117 0.015 0.000 1.272 108 I CA -0.086 61.222 61.300 0.014 0.000 1.307 108 I CB 0.293 38.303 38.000 0.015 0.000 1.155 108 I HN -0.139 nan 8.210 nan 0.000 0.431 109 R N 2.198 122.706 120.500 0.014 0.000 2.051 109 R HA 0.195 4.535 4.340 -0.000 0.000 0.218 109 R C 1.189 177.501 176.300 0.020 0.000 1.188 109 R CA 1.451 57.562 56.100 0.019 0.000 0.992 109 R CB -1.193 29.122 30.300 0.025 0.000 0.883 109 R HN 0.507 nan 8.270 nan 0.000 0.444 110 T N -0.746 113.821 114.554 0.021 0.000 2.855 110 T HA 0.020 4.370 4.350 -0.000 0.000 0.314 110 T C 1.467 176.178 174.700 0.019 0.000 1.077 110 T CA 0.055 62.169 62.100 0.023 0.000 1.095 110 T CB 1.005 69.888 68.868 0.024 0.000 0.987 110 T HN -0.032 nan 8.240 nan 0.000 0.546 111 V N 0.907 120.833 119.914 0.020 0.000 2.591 111 V HA 0.144 4.264 4.120 -0.000 0.000 0.249 111 V C 1.123 177.228 176.094 0.019 0.000 1.053 111 V CA 1.189 63.499 62.300 0.018 0.000 1.068 111 V CB -0.609 31.224 31.823 0.016 0.000 0.689 111 V HN 0.884 nan 8.190 nan 0.000 0.462 112 K N 2.751 123.165 120.400 0.022 0.000 2.526 112 K HA 0.341 4.661 4.320 -0.000 0.000 0.214 112 K C -2.553 174.061 176.600 0.024 0.000 1.088 112 K CA -1.665 54.637 56.287 0.025 0.000 1.058 112 K CB 0.825 33.343 32.500 0.030 0.000 1.653 112 K HN 0.383 nan 8.250 nan 0.000 0.521 113 P HA -0.115 nan 4.420 nan 0.000 0.258 113 P C 0.050 177.354 177.300 0.007 0.000 1.214 113 P CA 0.079 63.184 63.100 0.009 0.000 0.872 113 P CB 0.293 31.997 31.700 0.008 0.000 0.890 114 M N 2.964 122.564 119.600 0.000 0.000 2.209 114 M HA -0.005 4.475 4.480 -0.000 0.000 0.361 114 M C 0.426 176.721 176.300 -0.007 0.000 1.211 114 M CA 1.186 56.486 55.300 -0.001 0.000 0.899 114 M CB -0.051 32.517 32.600 -0.054 0.000 1.817 114 M HN 0.491 nan 8.290 nan 0.000 0.476 115 T N 3.487 118.052 114.554 0.018 0.000 2.918 115 T HA 0.322 4.672 4.350 -0.000 0.000 0.283 115 T C 0.820 175.531 174.700 0.017 0.000 1.001 115 T CA -0.380 61.732 62.100 0.019 0.000 1.041 115 T CB 0.895 69.785 68.868 0.037 0.000 1.028 115 T HN 0.779 nan 8.240 nan 0.000 0.511 116 V N 1.559 121.481 119.914 0.012 0.000 2.688 116 V HA -0.147 3.973 4.120 -0.000 0.000 0.256 116 V C 2.349 178.475 176.094 0.054 0.000 1.084 116 V CA 2.940 65.247 62.300 0.011 0.000 1.103 116 V CB -0.751 31.075 31.823 0.005 0.000 0.688 116 V HN 0.897 nan 8.190 nan 0.000 0.480 117 S N -0.112 115.630 115.700 0.069 0.000 2.325 117 S HA -0.149 4.321 4.470 -0.000 0.000 0.214 117 S C 1.891 176.585 174.600 0.157 0.000 1.031 117 S CA 1.391 59.654 58.200 0.104 0.000 0.972 117 S CB -0.466 62.784 63.200 0.084 0.000 0.908 117 S HN 0.639 nan 8.310 nan 0.000 0.453 118 K N 0.602 121.092 120.400 0.151 0.000 2.362 118 K HA -0.085 4.235 4.320 -0.000 0.000 0.202 118 K C 1.709 178.478 176.600 0.283 0.000 1.045 118 K CA 0.733 57.150 56.287 0.216 0.000 0.936 118 K CB -0.135 32.477 32.500 0.186 0.000 0.747 118 K HN 0.183 nan 8.250 nan 0.000 0.467 119 L N -0.371 120.957 121.223 0.174 0.000 2.416 119 L HA 0.059 4.399 4.340 -0.000 0.000 0.216 119 L C 1.704 178.712 176.870 0.230 0.000 1.098 119 L CA 1.354 56.268 54.840 0.124 0.000 0.840 119 L CB 0.102 42.138 42.059 -0.038 0.000 0.981 119 L HN -0.030 nan 8.230 nan 0.000 0.462 120 T N -1.853 112.841 114.554 0.233 0.000 2.939 120 T HA -0.099 4.251 4.350 -0.000 0.000 0.254 120 T C 1.488 176.359 174.700 0.285 0.000 1.041 120 T CA 1.113 63.377 62.100 0.274 0.000 1.142 120 T CB -0.200 68.805 68.868 0.229 0.000 0.874 120 T HN 0.347 nan 8.240 nan 0.000 0.452 121 Y N 2.242 122.632 120.300 0.149 0.000 2.263 121 Y HA 0.147 4.697 4.550 0.000 0.000 0.292 121 Y C 2.395 178.364 175.900 0.115 0.000 1.130 121 Y CA 0.483 58.651 58.100 0.113 0.000 1.179 121 Y CB -0.779 37.730 38.460 0.082 0.000 0.998 121 Y HN 0.117 nan 8.280 nan 0.000 0.532 122 L N -0.494 120.732 121.223 0.004 0.000 2.201 122 L HA 0.007 4.347 4.340 -0.000 0.000 0.212 122 L C 2.078 178.909 176.870 -0.065 0.000 1.105 122 L CA 1.996 56.754 54.840 -0.138 0.000 0.775 122 L CB -1.760 40.306 42.059 0.013 0.000 0.913 122 L HN 0.504 nan 8.230 nan 0.000 0.440 123 S N -2.811 112.975 115.700 0.144 0.000 2.552 123 S HA 0.255 4.725 4.470 -0.000 0.000 0.246 123 S C 0.441 175.086 174.600 0.075 0.000 1.019 123 S CA -0.181 58.114 58.200 0.159 0.000 1.045 123 S CB -1.627 61.768 63.200 0.325 0.000 0.784 123 S HN 1.058 nan 8.310 nan 0.000 0.453 124 C N 1.917 121.208 119.300 -0.016 0.000 1.959 124 C HA -0.038 4.422 4.460 -0.000 0.000 0.203 124 C C 1.286 176.310 174.990 0.057 0.000 1.061 124 C CA 0.791 59.811 59.018 0.003 0.000 3.062 124 C CB -2.912 24.813 27.740 -0.025 0.000 1.783 124 C HN 1.044 nan 8.230 nan 0.000 0.255 125 D N 0.813 121.288 120.400 0.124 0.000 2.924 125 D HA -0.290 4.350 4.640 -0.000 0.000 0.212 125 D C 1.326 177.636 176.300 0.016 0.000 1.221 125 D CA 1.374 55.442 54.000 0.114 0.000 0.596 125 D CB -1.158 39.708 40.800 0.110 0.000 1.012 125 D HN 1.277 nan 8.370 nan 0.000 0.398 126 C N -0.920 118.342 119.300 -0.063 0.000 2.413 126 C HA 0.312 4.772 4.460 -0.000 0.000 0.277 126 C C 0.591 175.194 174.990 -0.644 0.000 1.265 126 C CA 1.225 60.005 59.018 -0.396 0.000 1.752 126 C CB -1.049 26.396 27.740 -0.492 0.000 1.998 126 C HN 0.702 nan 8.230 nan 0.000 0.489 127 F N -0.357 119.637 119.950 0.073 0.000 2.643 127 F HA 0.442 4.969 4.527 -0.000 0.000 0.314 127 F C 0.292 176.125 175.800 0.055 0.000 1.096 127 F CA -0.993 57.037 58.000 0.051 0.000 0.953 127 F CB 0.240 39.267 39.000 0.045 0.000 1.345 127 F HN -0.122 nan 8.300 nan 0.000 0.468 128 T N -1.479 113.225 114.554 0.251 0.000 2.851 128 T HA 0.084 4.434 4.350 -0.000 0.000 0.298 128 T C 1.056 175.840 174.700 0.140 0.000 0.977 128 T CA -0.543 61.651 62.100 0.157 0.000 1.126 128 T CB 0.807 69.736 68.868 0.101 0.000 0.916 128 T HN 0.748 nan 8.240 nan 0.000 0.529 129 N N 1.539 120.311 118.700 0.119 0.000 2.314 129 N HA -0.179 4.560 4.740 -0.000 0.000 0.191 129 N C 1.299 176.839 175.510 0.051 0.000 1.007 129 N CA 1.240 54.342 53.050 0.087 0.000 0.883 129 N CB -0.390 38.144 38.487 0.078 0.000 0.969 129 N HN 0.675 nan 8.380 nan 0.000 0.441 130 L N 1.099 122.351 121.223 0.049 0.000 2.162 130 L HA 0.079 4.419 4.340 -0.000 0.000 0.205 130 L C 2.179 179.058 176.870 0.016 0.000 1.086 130 L CA 1.216 56.073 54.840 0.030 0.000 0.778 130 L CB -0.348 41.731 42.059 0.033 0.000 0.928 130 L HN 0.107 nan 8.230 nan 0.000 0.446 131 E N -0.505 119.713 120.200 0.030 0.000 2.051 131 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 131 E C 2.233 178.796 176.600 -0.062 0.000 0.991 131 E CA 1.480 57.885 56.400 0.009 0.000 0.799 131 E CB -0.263 29.476 29.700 0.064 0.000 0.748 131 E HN 0.446 nan 8.360 nan 0.000 0.449 132 L N 1.037 122.197 121.223 -0.104 0.000 2.012 132 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 132 L C 2.528 179.327 176.870 -0.118 0.000 1.073 132 L CA 0.707 55.436 54.840 -0.185 0.000 0.748 132 L CB -0.594 41.348 42.059 -0.196 0.000 0.891 132 L HN 0.212 nan 8.230 nan 0.000 0.431 133 I N 0.454 120.986 120.570 -0.064 0.000 2.091 133 I HA -0.388 3.782 4.170 -0.000 0.000 0.240 133 I C 2.210 178.298 176.117 -0.049 0.000 1.046 133 I CA 2.106 63.382 61.300 -0.041 0.000 1.306 133 I CB -1.429 36.565 38.000 -0.010 0.000 1.018 133 I HN 0.402 nan 8.210 nan 0.000 0.404 134 N N 0.152 118.827 118.700 -0.042 0.000 2.453 134 N HA -0.213 4.527 4.740 -0.000 0.000 0.183 134 N C 1.704 177.171 175.510 -0.072 0.000 1.041 134 N CA 0.780 53.807 53.050 -0.039 0.000 0.900 134 N CB 0.052 38.529 38.487 -0.018 0.000 0.961 134 N HN 0.324 nan 8.380 nan 0.000 0.443 135 Q N 0.506 120.239 119.800 -0.112 0.000 2.165 135 Q HA 0.062 4.402 4.340 -0.000 0.000 0.197 135 Q C 1.761 177.621 176.000 -0.233 0.000 0.952 135 Q CA 1.145 56.848 55.803 -0.167 0.000 0.848 135 Q CB -0.249 28.372 28.738 -0.194 0.000 0.931 135 Q HN 0.409 nan 8.270 nan 0.000 0.470 136 E N 0.547 120.625 120.200 -0.205 0.000 2.013 136 E HA -0.309 4.041 4.350 -0.000 0.000 0.202 136 E C 1.822 178.280 176.600 -0.238 0.000 1.018 136 E CA 1.631 57.902 56.400 -0.216 0.000 0.834 136 E CB -0.173 29.439 29.700 -0.146 0.000 0.770 136 E HN 0.287 nan 8.360 nan 0.000 0.459 137 K N 0.224 120.525 120.400 -0.166 0.000 2.052 137 K HA -0.262 4.058 4.320 -0.000 0.000 0.215 137 K C 1.849 178.310 176.600 -0.231 0.000 1.053 137 K CA 2.383 58.570 56.287 -0.167 0.000 0.934 137 K CB -0.181 32.299 32.500 -0.033 0.000 0.717 137 K HN 0.165 nan 8.250 nan 0.000 0.450 138 D N 0.449 120.751 120.400 -0.163 0.000 2.116 138 D HA -0.198 4.442 4.640 -0.000 0.000 0.193 138 D C 1.899 178.104 176.300 -0.158 0.000 0.998 138 D CA 1.539 55.471 54.000 -0.113 0.000 0.836 138 D CB -0.235 40.536 40.800 -0.049 0.000 0.951 138 D HN 0.367 nan 8.370 nan 0.000 0.449 139 I N 0.360 120.727 120.570 -0.337 0.000 2.252 139 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 139 I C 2.205 178.112 176.117 -0.349 0.000 1.102 139 I CA 0.442 61.488 61.300 -0.423 0.000 1.385 139 I CB -0.148 37.462 38.000 -0.650 0.000 1.064 139 I HN 0.029 nan 8.210 nan 0.000 0.414 140 L N 0.744 121.659 121.223 -0.513 0.000 2.012 140 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 140 L C 2.564 178.804 176.870 -1.050 0.000 1.073 140 L CA 1.969 56.311 54.840 -0.829 0.000 0.748 140 L CB -1.442 39.859 42.059 -1.263 0.000 0.891 140 L HN 0.367 nan 8.230 nan 0.000 0.431 141 E N -0.004 119.682 120.200 -0.856 0.000 2.023 141 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 141 E C 2.242 178.709 176.600 -0.222 0.000 1.003 141 E CA 1.339 57.455 56.400 -0.475 0.000 0.809 141 E CB -0.154 29.464 29.700 -0.136 0.000 0.755 141 E HN 0.464 nan 8.360 nan 0.000 0.449 142 A N 1.597 124.350 122.820 -0.111 0.000 1.927 142 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 142 A C 2.116 179.685 177.584 -0.025 0.000 1.185 142 A CA 1.380 53.412 52.037 -0.008 0.000 0.639 142 A CB -0.744 18.343 19.000 0.146 0.000 0.820 142 A HN 0.180 nan 8.150 nan 0.000 0.451 143 L N -1.439 119.742 121.223 -0.070 0.000 2.645 143 L HA 0.051 4.391 4.340 -0.000 0.000 0.235 143 L C 0.095 176.938 176.870 -0.045 0.000 1.150 143 L CA 0.214 55.026 54.840 -0.045 0.000 0.911 143 L CB -0.405 41.624 42.059 -0.049 0.000 1.077 143 L HN 0.389 nan 8.230 nan 0.000 0.438 144 K N -0.562 119.802 120.400 -0.060 0.000 3.148 144 K HA -0.232 4.088 4.320 -0.000 0.000 0.267 144 K C -0.429 176.304 176.600 0.221 0.000 0.996 144 K CA 0.557 56.904 56.287 0.100 0.000 0.737 144 K CB -1.771 30.797 32.500 0.114 0.000 1.308 144 K HN 0.408 nan 8.250 nan 0.000 0.470 145 W N -1.550 119.758 121.300 0.013 0.000 5.078 145 W HA -0.250 4.410 4.660 0.000 0.000 0.343 145 W C 0.182 176.704 176.519 0.005 0.000 1.232 145 W CA 1.156 58.504 57.345 0.005 0.000 0.864 145 W CB -1.554 27.907 29.460 0.002 0.000 2.304 145 W HN 0.473 nan 8.180 nan 0.000 1.560 146 D N 0.464 120.938 120.400 0.124 0.000 2.458 146 D HA 0.343 4.983 4.640 -0.000 0.000 0.258 146 D C 0.031 176.357 176.300 0.043 0.000 1.134 146 D CA -0.121 53.931 54.000 0.088 0.000 0.915 146 D CB 0.449 41.294 40.800 0.073 0.000 1.028 146 D HN 0.008 nan 8.370 nan 0.000 0.508 147 T N 0.723 115.299 114.554 0.038 0.000 2.853 147 T HA 0.665 5.015 4.350 -0.000 0.000 0.317 147 T C -0.232 174.480 174.700 0.021 0.000 1.059 147 T CA -0.814 61.294 62.100 0.013 0.000 0.954 147 T CB 1.311 70.174 68.868 -0.008 0.000 0.994 147 T HN 0.198 nan 8.240 nan 0.000 0.479 148 E N 2.112 122.322 120.200 0.018 0.000 2.378 148 E HA 0.678 5.028 4.350 -0.000 0.000 0.283 148 E C -1.805 174.803 176.600 0.013 0.000 0.979 148 E CA -0.464 55.946 56.400 0.017 0.000 0.795 148 E CB 1.657 31.369 29.700 0.020 0.000 1.221 148 E HN 1.044 nan 8.360 nan 0.000 0.428 149 A N 2.030 124.859 122.820 0.015 0.000 2.594 149 A HA 0.589 4.909 4.320 -0.000 0.000 0.296 149 A C -1.425 176.178 177.584 0.032 0.000 1.061 149 A CA -0.499 51.548 52.037 0.016 0.000 0.689 149 A CB 1.187 20.193 19.000 0.011 0.000 1.280 149 A HN 0.461 nan 8.150 nan 0.000 0.406 150 V N 1.922 121.864 119.914 0.048 0.000 2.498 150 V HA 0.466 4.586 4.120 -0.000 0.000 0.279 150 V C 0.025 176.183 176.094 0.107 0.000 1.048 150 V CA -0.086 62.270 62.300 0.093 0.000 0.967 150 V CB 0.487 32.399 31.823 0.149 0.000 0.988 150 V HN 0.652 nan 8.190 nan 0.000 0.473 151 L N 3.354 124.652 121.223 0.124 0.000 2.334 151 L HA 0.596 4.936 4.340 -0.000 0.000 0.273 151 L C 1.536 178.504 176.870 0.163 0.000 1.013 151 L CA -0.708 54.192 54.840 0.100 0.000 0.816 151 L CB 1.534 43.635 42.059 0.070 0.000 1.278 151 L HN 0.667 nan 8.230 nan 0.000 0.431 152 A N 1.058 123.926 122.820 0.079 0.000 1.986 152 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 152 A C 2.091 179.765 177.584 0.149 0.000 1.171 152 A CA 2.516 54.580 52.037 0.046 0.000 0.640 152 A CB -0.761 18.217 19.000 -0.037 0.000 0.811 152 A HN 0.901 nan 8.150 nan 0.000 0.451 153 T N 0.295 114.918 114.554 0.116 0.000 2.737 153 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 153 T C 1.273 176.086 174.700 0.188 0.000 1.040 153 T CA 1.698 63.869 62.100 0.118 0.000 1.142 153 T CB -0.482 68.445 68.868 0.099 0.000 0.861 153 T HN 0.554 nan 8.240 nan 0.000 0.456 154 D N 0.016 120.533 120.400 0.195 0.000 2.350 154 D HA -0.005 4.635 4.640 -0.000 0.000 0.216 154 D C 1.217 177.542 176.300 0.041 0.000 0.968 154 D CA 0.650 54.714 54.000 0.106 0.000 0.894 154 D CB -0.163 40.664 40.800 0.046 0.000 0.909 154 D HN 0.442 nan 8.370 nan 0.000 0.520 155 F N 0.222 120.170 119.950 -0.003 0.000 2.714 155 F HA 0.175 4.702 4.527 0.000 0.000 0.294 155 F C 2.117 177.886 175.800 -0.052 0.000 1.120 155 F CA -0.111 57.873 58.000 -0.027 0.000 1.398 155 F CB -0.172 38.814 39.000 -0.024 0.000 1.120 155 F HN -0.141 nan 8.300 nan 0.000 0.589 156 L N 0.211 121.520 121.223 0.143 0.000 1.944 156 L HA -0.289 4.051 4.340 -0.000 0.000 0.218 156 L C 3.050 179.839 176.870 -0.134 0.000 1.075 156 L CA 1.890 56.759 54.840 0.048 0.000 0.767 156 L CB -1.459 40.708 42.059 0.181 0.000 0.890 156 L HN 0.219 nan 8.230 nan 0.000 0.434 157 I N -0.355 120.092 120.570 -0.205 0.000 2.127 157 I HA -0.167 4.003 4.170 -0.000 0.000 0.241 157 I C 0.408 176.241 176.117 -0.474 0.000 1.075 157 I CA 2.420 63.386 61.300 -0.556 0.000 1.334 157 I CB -2.587 35.116 38.000 -0.495 0.000 1.040 157 I HN 0.216 nan 8.210 nan 0.000 0.405 158 P HA -0.135 nan 4.420 nan 0.000 0.217 158 P C 1.578 178.827 177.300 -0.085 0.000 1.148 158 P CA 1.221 64.221 63.100 -0.166 0.000 0.828 158 P CB -0.146 31.434 31.700 -0.201 0.000 0.783 159 L N -2.706 118.483 121.223 -0.056 0.000 2.529 159 L HA 0.025 4.365 4.340 -0.000 0.000 0.223 159 L C 2.205 179.055 176.870 -0.034 0.000 1.113 159 L CA 0.245 55.096 54.840 0.019 0.000 0.861 159 L CB -0.594 41.517 42.059 0.086 0.000 1.012 159 L HN 0.054 nan 8.230 nan 0.000 0.461 160 C N 1.292 120.486 119.300 -0.177 0.000 2.446 160 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 160 C C 2.627 177.719 174.990 0.171 0.000 1.275 160 C CA 1.630 60.528 59.018 -0.199 0.000 1.727 160 C CB -0.878 26.375 27.740 -0.812 0.000 2.010 160 C HN 0.793 nan 8.230 nan 0.000 0.486 161 N N 1.843 120.717 118.700 0.290 0.000 2.173 161 N HA 0.011 4.751 4.740 -0.000 0.000 0.184 161 N C 1.639 177.317 175.510 0.279 0.000 1.025 161 N CA 1.569 54.907 53.050 0.481 0.000 0.852 161 N CB -0.732 38.096 38.487 0.568 0.000 0.998 161 N HN 0.309 nan 8.380 nan 0.000 0.427 162 A N 0.534 123.484 122.820 0.216 0.000 2.084 162 A HA -0.037 4.283 4.320 -0.000 0.000 0.221 162 A C 1.858 179.681 177.584 0.398 0.000 1.161 162 A CA 0.934 53.122 52.037 0.252 0.000 0.653 162 A CB -0.865 18.241 19.000 0.177 0.000 0.802 162 A HN 0.418 nan 8.150 nan 0.000 0.457 163 L N -1.143 120.234 121.223 0.257 0.000 2.688 163 L HA 0.095 4.435 4.340 -0.000 0.000 0.234 163 L C 0.944 177.826 176.870 0.020 0.000 1.192 163 L CA 0.092 55.030 54.840 0.163 0.000 0.984 163 L CB -0.156 41.868 42.059 -0.059 0.000 1.232 163 L HN 0.500 nan 8.230 nan 0.000 0.465 164 K N 0.646 121.115 120.400 0.115 0.000 3.077 164 K HA -0.239 4.081 4.320 -0.000 0.000 0.264 164 K C -0.535 176.175 176.600 0.185 0.000 1.008 164 K CA 0.754 57.107 56.287 0.111 0.000 0.740 164 K CB -1.335 31.120 32.500 -0.076 0.000 1.273 164 K HN 0.247 nan 8.250 nan 0.000 0.477 165 I N 1.456 122.122 120.570 0.159 0.000 2.355 165 I HA 0.516 4.686 4.170 -0.000 0.000 0.288 165 I C -1.824 174.354 176.117 0.102 0.000 0.999 165 I CA -2.185 59.197 61.300 0.137 0.000 1.163 165 I CB 0.798 38.825 38.000 0.046 0.000 1.316 165 I HN 0.058 nan 8.210 nan 0.000 0.454 166 P HA 0.145 nan 4.420 nan 0.000 0.269 166 P C -0.023 176.917 177.300 -0.601 0.000 1.209 166 P CA 0.091 63.037 63.100 -0.256 0.000 0.776 166 P CB 0.769 32.389 31.700 -0.134 0.000 0.876 167 E N 0.827 120.491 120.200 -0.893 0.000 2.381 167 E HA -0.077 4.273 4.350 -0.000 0.000 0.198 167 E C 0.223 176.564 176.600 -0.432 0.000 1.204 167 E CA 0.299 56.053 56.400 -1.077 0.000 0.998 167 E CB -0.276 28.898 29.700 -0.877 0.000 1.080 167 E HN 0.401 nan 8.360 nan 0.000 0.481 168 D N -0.602 119.637 120.400 -0.270 0.000 2.423 168 D HA -0.005 4.635 4.640 -0.000 0.000 0.212 168 D C 1.491 177.780 176.300 -0.018 0.000 1.060 168 D CA 0.357 54.293 54.000 -0.106 0.000 0.872 168 D CB 0.689 41.442 40.800 -0.079 0.000 1.012 168 D HN 0.235 nan 8.370 nan 0.000 0.503 169 L N -0.929 120.305 121.223 0.018 0.000 2.808 169 L HA 0.336 4.676 4.340 -0.000 0.000 0.246 169 L C 1.791 178.807 176.870 0.244 0.000 1.153 169 L CA -0.350 54.555 54.840 0.108 0.000 0.956 169 L CB -1.051 41.062 42.059 0.091 0.000 1.270 169 L HN -0.047 nan 8.230 nan 0.000 0.528 170 W N 1.083 122.384 121.300 0.001 0.000 2.355 170 W HA -0.002 4.658 4.660 -0.000 0.000 0.309 170 W C 0.294 176.844 176.519 0.051 0.000 1.206 170 W CA 2.033 59.386 57.345 0.014 0.000 1.284 170 W CB -1.595 27.860 29.460 -0.009 0.000 1.145 170 W HN 0.380 nan 8.180 nan 0.000 0.502 171 P HA -0.204 nan 4.420 nan 0.000 0.216 171 P C 1.310 178.708 177.300 0.164 0.000 1.150 171 P CA 3.279 66.492 63.100 0.189 0.000 0.843 171 P CB -0.314 31.463 31.700 0.128 0.000 0.787 172 Q N -0.561 119.320 119.800 0.135 0.000 2.376 172 Q HA 0.104 4.444 4.340 -0.000 0.000 0.206 172 Q C 2.033 178.082 176.000 0.082 0.000 0.921 172 Q CA 0.600 56.459 55.803 0.093 0.000 0.911 172 Q CB -1.261 27.518 28.738 0.069 0.000 1.032 172 Q HN 0.192 nan 8.270 nan 0.000 0.510 173 L N -1.147 120.141 121.223 0.108 0.000 2.270 173 L HA 0.173 4.513 4.340 -0.000 0.000 0.210 173 L C 2.152 179.051 176.870 0.049 0.000 1.104 173 L CA 1.322 56.200 54.840 0.062 0.000 0.804 173 L CB -0.234 41.864 42.059 0.065 0.000 0.937 173 L HN 0.553 nan 8.230 nan 0.000 0.450 174 Y N -0.340 119.947 120.300 -0.023 0.000 2.475 174 Y HA -0.076 4.474 4.550 -0.000 0.000 0.289 174 Y C 2.368 178.258 175.900 -0.016 0.000 1.121 174 Y CA 1.422 59.495 58.100 -0.045 0.000 1.257 174 Y CB 0.238 38.671 38.460 -0.046 0.000 1.026 174 Y HN 0.353 nan 8.280 nan 0.000 0.555 175 E N 0.241 120.426 120.200 -0.024 0.000 2.051 175 E HA -0.040 4.310 4.350 -0.000 0.000 0.189 175 E C 2.233 178.776 176.600 -0.096 0.000 0.979 175 E CA 1.452 57.811 56.400 -0.068 0.000 0.803 175 E CB -0.463 29.247 29.700 0.015 0.000 0.761 175 E HN 0.356 nan 8.360 nan 0.000 0.451 176 A N 0.665 123.450 122.820 -0.058 0.000 1.929 176 A HA 0.107 4.427 4.320 -0.000 0.000 0.216 176 A C 2.371 179.908 177.584 -0.078 0.000 1.176 176 A CA 1.685 53.690 52.037 -0.052 0.000 0.628 176 A CB -0.813 18.172 19.000 -0.026 0.000 0.816 176 A HN 0.355 nan 8.150 nan 0.000 0.444 177 A N -0.546 122.211 122.820 -0.105 0.000 1.930 177 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 177 A C 2.410 179.906 177.584 -0.146 0.000 1.175 177 A CA 1.932 53.900 52.037 -0.114 0.000 0.627 177 A CB -0.695 18.236 19.000 -0.115 0.000 0.815 177 A HN 0.427 nan 8.150 nan 0.000 0.443 178 S N -0.362 115.192 115.700 -0.242 0.000 2.368 178 S HA -0.105 4.365 4.470 -0.000 0.000 0.224 178 S C 2.009 176.548 174.600 -0.103 0.000 1.029 178 S CA 1.691 59.749 58.200 -0.237 0.000 0.988 178 S CB -0.471 62.473 63.200 -0.427 0.000 0.838 178 S HN 0.688 nan 8.310 nan 0.000 0.462 179 T N 1.989 116.491 114.554 -0.088 0.000 2.833 179 T HA -0.078 4.272 4.350 -0.000 0.000 0.269 179 T C 1.987 176.671 174.700 -0.028 0.000 1.054 179 T CA 1.620 63.703 62.100 -0.028 0.000 1.135 179 T CB -0.558 68.293 68.868 -0.030 0.000 0.869 179 T HN 0.417 nan 8.240 nan 0.000 0.466 180 T N 2.232 116.759 114.554 -0.046 0.000 2.668 180 T HA 0.075 4.425 4.350 -0.000 0.000 0.262 180 T C 2.019 176.694 174.700 -0.042 0.000 1.045 180 T CA 0.876 62.949 62.100 -0.045 0.000 1.152 180 T CB -0.413 68.428 68.868 -0.045 0.000 0.864 180 T HN 0.291 nan 8.240 nan 0.000 0.419 181 I N 1.049 121.597 120.570 -0.036 0.000 2.118 181 I HA -0.239 3.931 4.170 -0.000 0.000 0.241 181 I C 2.711 178.845 176.117 0.029 0.000 1.070 181 I CA 1.100 62.391 61.300 -0.016 0.000 1.327 181 I CB -0.610 37.377 38.000 -0.022 0.000 1.034 181 I HN 0.336 nan 8.210 nan 0.000 0.405 182 C N 0.875 120.213 119.300 0.063 0.000 2.419 182 C HA -0.163 4.297 4.460 -0.000 0.000 0.281 182 C C 3.226 178.194 174.990 -0.037 0.000 1.336 182 C CA 1.523 60.651 59.018 0.183 0.000 1.770 182 C CB -1.449 26.432 27.740 0.235 0.000 1.929 182 C HN 0.582 nan 8.230 nan 0.000 0.509 183 K N 0.177 120.480 120.400 -0.162 0.000 2.186 183 K HA 0.357 4.677 4.320 -0.000 0.000 0.202 183 K C 2.061 178.569 176.600 -0.153 0.000 1.052 183 K CA 1.267 57.359 56.287 -0.326 0.000 0.965 183 K CB -0.806 31.562 32.500 -0.220 0.000 0.746 183 K HN 0.526 nan 8.250 nan 0.000 0.457 184 A N 0.867 123.646 122.820 -0.068 0.000 1.929 184 A HA 0.122 4.442 4.320 -0.000 0.000 0.216 184 A C 2.274 179.852 177.584 -0.009 0.000 1.176 184 A CA 1.156 53.170 52.037 -0.038 0.000 0.628 184 A CB -0.287 18.694 19.000 -0.031 0.000 0.816 184 A HN 0.388 nan 8.150 nan 0.000 0.444 185 L N -0.042 121.204 121.223 0.037 0.000 2.549 185 L HA -0.118 4.222 4.340 -0.000 0.000 0.230 185 L C 1.915 178.833 176.870 0.080 0.000 1.162 185 L CA 0.434 55.312 54.840 0.062 0.000 0.834 185 L CB -0.413 41.704 42.059 0.097 0.000 0.947 185 L HN 0.432 nan 8.230 nan 0.000 0.452 186 I N -1.239 119.377 120.570 0.078 0.000 2.546 186 I HA -0.151 4.019 4.170 -0.000 0.000 0.255 186 I C 0.960 177.077 176.117 0.001 0.000 1.163 186 I CA 0.460 61.804 61.300 0.073 0.000 1.457 186 I CB -0.142 37.857 38.000 -0.001 0.000 1.092 186 I HN 0.271 nan 8.210 nan 0.000 0.434 187 Q N 2.441 122.228 119.800 -0.022 0.000 2.288 187 Q HA 0.148 4.488 4.340 -0.000 0.000 0.254 187 Q C -1.647 174.316 176.000 -0.062 0.000 0.932 187 Q CA -2.038 53.738 55.803 -0.046 0.000 0.902 187 Q CB 0.410 29.124 28.738 -0.040 0.000 1.203 187 Q HN 0.114 nan 8.270 nan 0.000 0.415 188 P HA -0.129 nan 4.420 nan 0.000 0.236 188 P C 0.099 177.359 177.300 -0.067 0.000 1.172 188 P CA 0.735 63.767 63.100 -0.113 0.000 0.759 188 P CB 0.565 32.171 31.700 -0.158 0.000 0.843 189 N N 0.796 119.467 118.700 -0.049 0.000 2.124 189 N HA -0.059 4.681 4.740 -0.000 0.000 0.189 189 N C 1.778 177.274 175.510 -0.023 0.000 1.050 189 N CA 0.921 53.951 53.050 -0.033 0.000 0.848 189 N CB -0.954 37.514 38.487 -0.030 0.000 1.027 189 N HN 0.094 nan 8.380 nan 0.000 0.435 190 I N 2.092 122.647 120.570 -0.024 0.000 2.399 190 I HA -0.172 3.998 4.170 -0.000 0.000 0.254 190 I C 1.731 177.844 176.117 -0.007 0.000 1.146 190 I CA 0.438 61.725 61.300 -0.020 0.000 1.412 190 I CB -0.868 37.119 38.000 -0.021 0.000 1.076 190 I HN 0.105 nan 8.210 nan 0.000 0.432 191 A N -0.109 122.711 122.820 0.001 0.000 2.176 191 A HA 0.210 4.530 4.320 -0.000 0.000 0.214 191 A C 1.242 178.873 177.584 0.079 0.000 1.327 191 A CA 0.653 52.715 52.037 0.042 0.000 1.015 191 A CB -0.928 18.083 19.000 0.017 0.000 0.818 191 A HN 0.470 nan 8.150 nan 0.000 0.500 192 L N -0.966 120.280 121.223 0.039 0.000 3.524 192 L HA 0.326 4.666 4.340 -0.000 0.000 0.337 192 L C -0.761 176.111 176.870 0.004 0.000 1.330 192 L CA -0.058 54.806 54.840 0.040 0.000 0.966 192 L CB 0.183 42.261 42.059 0.032 0.000 1.395 192 L HN 0.234 nan 8.230 nan 0.000 0.616 193 L N -0.973 120.242 121.223 -0.014 0.000 2.301 193 L HA 0.503 4.843 4.340 -0.000 0.000 0.264 193 L C 0.555 177.387 176.870 -0.064 0.000 1.016 193 L CA -0.673 54.142 54.840 -0.041 0.000 0.821 193 L CB 2.081 44.110 42.059 -0.050 0.000 1.346 193 L HN -0.074 nan 8.230 nan 0.000 0.429 194 S N 1.867 117.516 115.700 -0.086 0.000 2.549 194 S HA 0.170 4.640 4.470 -0.000 0.000 0.283 194 S C -1.308 173.180 174.600 -0.187 0.000 1.320 194 S CA -1.096 57.035 58.200 -0.115 0.000 1.058 194 S CB 0.738 63.867 63.200 -0.118 0.000 0.882 194 S HN 0.469 nan 8.310 nan 0.000 0.498 195 P HA -0.054 nan 4.420 nan 0.000 0.219 195 P C 1.476 178.392 177.300 -0.640 0.000 1.146 195 P CA 1.383 64.334 63.100 -0.248 0.000 0.808 195 P CB -0.335 31.322 31.700 -0.072 0.000 0.779 196 G N 0.796 109.039 108.800 -0.929 0.000 2.433 196 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 196 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 196 G C 1.710 176.227 174.900 -0.638 0.000 1.186 196 G CA 0.560 44.790 45.100 -1.449 0.000 0.779 196 G HN 0.215 nan 8.290 nan 0.000 0.543 197 L N 1.114 122.130 121.223 -0.345 0.000 1.976 197 L HA -0.069 4.271 4.340 -0.000 0.000 0.209 197 L C 2.910 179.676 176.870 -0.174 0.000 1.071 197 L CA 1.495 56.221 54.840 -0.190 0.000 0.746 197 L CB -0.668 41.319 42.059 -0.120 0.000 0.890 197 L HN 0.417 nan 8.230 nan 0.000 0.432 198 I N -2.646 117.819 120.570 -0.175 0.000 2.623 198 I HA -0.319 3.851 4.170 -0.000 0.000 0.261 198 I C 2.574 178.616 176.117 -0.125 0.000 1.204 198 I CA 1.455 62.680 61.300 -0.124 0.000 1.444 198 I CB -0.770 37.170 38.000 -0.100 0.000 1.094 198 I HN 0.364 nan 8.210 nan 0.000 0.451 199 C N 1.008 120.194 119.300 -0.190 0.000 2.512 199 C HA 0.386 4.846 4.460 -0.000 0.000 0.276 199 C C 3.038 177.978 174.990 -0.084 0.000 1.368 199 C CA 0.515 59.458 59.018 -0.124 0.000 1.755 199 C CB -0.908 26.762 27.740 -0.117 0.000 2.008 199 C HN 0.649 nan 8.230 nan 0.000 0.511 200 A N 1.012 123.772 122.820 -0.100 0.000 1.840 200 A HA 0.178 4.498 4.320 -0.000 0.000 0.214 200 A C 2.480 180.041 177.584 -0.039 0.000 1.198 200 A CA 1.822 53.830 52.037 -0.049 0.000 0.608 200 A CB -1.675 17.303 19.000 -0.036 0.000 0.839 200 A HN 0.630 nan 8.150 nan 0.000 0.443 201 G N -0.721 108.054 108.800 -0.041 0.000 2.475 201 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.220 201 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.220 201 G C 1.399 176.281 174.900 -0.031 0.000 1.125 201 G CA 1.366 46.450 45.100 -0.027 0.000 0.755 201 G HN 0.762 nan 8.290 nan 0.000 0.565 202 G N 0.136 108.909 108.800 -0.044 0.000 2.494 202 G HA2 0.049 4.009 3.960 -0.000 0.000 0.216 202 G HA3 0.049 4.009 3.960 -0.000 0.000 0.216 202 G C 1.607 176.476 174.900 -0.052 0.000 1.140 202 G CA 0.628 45.701 45.100 -0.046 0.000 0.801 202 G HN 0.368 nan 8.290 nan 0.000 0.536 203 L N 0.275 121.463 121.223 -0.059 0.000 2.240 203 L HA 0.310 4.650 4.340 -0.000 0.000 0.211 203 L C 2.505 179.323 176.870 -0.087 0.000 1.106 203 L CA 1.016 55.807 54.840 -0.081 0.000 0.793 203 L CB -0.157 41.849 42.059 -0.090 0.000 0.927 203 L HN 0.148 nan 8.230 nan 0.000 0.446 204 L N -1.310 119.882 121.223 -0.051 0.000 2.049 204 L HA -0.115 4.225 4.340 -0.000 0.000 0.203 204 L C 2.441 179.312 176.870 0.002 0.000 1.074 204 L CA 1.493 56.324 54.840 -0.016 0.000 0.749 204 L CB -1.216 40.860 42.059 0.028 0.000 0.907 204 L HN 0.364 nan 8.230 nan 0.000 0.439 205 T N -4.070 110.482 114.554 -0.003 0.000 2.946 205 T HA -0.166 4.184 4.350 -0.000 0.000 0.271 205 T C 1.628 176.326 174.700 -0.004 0.000 1.104 205 T CA 1.771 63.872 62.100 0.001 0.000 1.114 205 T CB -0.570 68.293 68.868 -0.008 0.000 0.867 205 T HN 0.228 nan 8.240 nan 0.000 0.513 206 T N 1.534 116.077 114.554 -0.018 0.000 2.852 206 T HA 0.212 4.562 4.350 -0.000 0.000 0.256 206 T C 2.535 177.231 174.700 -0.007 0.000 1.038 206 T CA 1.177 63.266 62.100 -0.020 0.000 1.141 206 T CB -0.679 68.166 68.868 -0.039 0.000 0.869 206 T HN 0.594 nan 8.240 nan 0.000 0.439 207 I N 1.576 122.135 120.570 -0.018 0.000 2.614 207 I HA 0.040 4.210 4.170 -0.000 0.000 0.258 207 I C 2.243 178.401 176.117 0.068 0.000 1.189 207 I CA 1.807 63.113 61.300 0.011 0.000 1.462 207 I CB -1.103 36.868 38.000 -0.049 0.000 1.092 207 I HN 0.436 nan 8.210 nan 0.000 0.442 208 E N 1.066 121.300 120.200 0.057 0.000 2.001 208 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 208 E C 2.489 179.118 176.600 0.048 0.000 0.994 208 E CA 2.335 58.773 56.400 0.065 0.000 0.815 208 E CB -0.271 29.458 29.700 0.049 0.000 0.770 208 E HN 0.747 nan 8.360 nan 0.000 0.453 209 T N -1.601 112.971 114.554 0.030 0.000 2.802 209 T HA -0.190 4.160 4.350 -0.000 0.000 0.269 209 T C 0.965 175.681 174.700 0.027 0.000 1.062 209 T CA 1.842 63.956 62.100 0.023 0.000 1.133 209 T CB -0.764 68.112 68.868 0.013 0.000 0.852 209 T HN 0.293 nan 8.240 nan 0.000 0.485 210 D N 0.905 121.325 120.400 0.033 0.000 2.795 210 D HA 0.442 5.082 4.640 -0.000 0.000 0.335 210 D C -0.484 175.849 176.300 0.056 0.000 1.262 210 D CA -0.829 53.193 54.000 0.037 0.000 0.885 210 D CB -0.990 39.828 40.800 0.030 0.000 1.047 210 D HN 0.572 nan 8.370 nan 0.000 0.500 211 N N 0.647 119.385 118.700 0.063 0.000 2.452 211 N HA 0.464 5.204 4.740 -0.000 0.000 0.266 211 N C 1.472 177.029 175.510 0.079 0.000 1.175 211 N CA 0.826 53.927 53.050 0.085 0.000 0.945 211 N CB 1.547 40.079 38.487 0.075 0.000 1.063 211 N HN 0.534 nan 8.380 nan 0.000 0.472 212 T N 0.122 114.739 114.554 0.105 0.000 2.978 212 T HA 0.047 4.397 4.350 -0.000 0.000 0.248 212 T C 0.603 175.358 174.700 0.091 0.000 1.018 212 T CA 0.328 62.482 62.100 0.090 0.000 1.026 212 T CB 0.226 69.155 68.868 0.101 0.000 1.032 212 T HN 0.475 nan 8.240 nan 0.000 0.485 213 N N -0.705 118.075 118.700 0.134 0.000 2.455 213 N HA 0.544 5.284 4.740 -0.000 0.000 0.278 213 N C 0.045 175.602 175.510 0.077 0.000 1.291 213 N CA 0.070 53.168 53.050 0.080 0.000 0.780 213 N CB 1.250 39.802 38.487 0.108 0.000 1.520 213 N HN 0.389 nan 8.380 nan 0.000 0.486 214 C N 0.869 120.149 119.300 -0.034 0.000 2.825 214 C HA 0.474 4.934 4.460 -0.000 0.000 0.279 214 C C 1.120 176.096 174.990 -0.023 0.000 1.910 214 C CA -0.144 58.860 59.018 -0.023 0.000 1.960 214 C CB -0.343 27.355 27.740 -0.070 0.000 1.951 214 C HN 0.739 nan 8.230 nan 0.000 0.587 215 R N 0.115 120.610 120.500 -0.008 0.000 3.039 215 R HA 0.199 4.539 4.340 -0.000 0.000 0.336 215 R C -1.904 174.350 176.300 -0.076 0.000 1.258 215 R CA -0.544 55.605 56.100 0.081 0.000 1.125 215 R CB -0.206 30.201 30.300 0.179 0.000 1.427 215 R HN 0.615 nan 8.270 nan 0.000 0.588 216 P HA -0.118 nan 4.420 nan 0.000 0.231 216 P C -0.084 177.147 177.300 -0.115 0.000 1.158 216 P CA 0.753 63.705 63.100 -0.246 0.000 0.763 216 P CB 0.064 31.549 31.700 -0.358 0.000 0.805 217 W N -1.284 120.046 121.300 0.050 0.000 2.825 217 W HA 0.100 4.760 4.660 0.000 0.000 0.243 217 W C 2.268 178.858 176.519 0.119 0.000 1.293 217 W CA 1.184 58.584 57.345 0.091 0.000 1.403 217 W CB -2.190 27.291 29.460 0.034 0.000 1.134 217 W HN -0.057 nan 8.180 nan 0.000 0.666 218 T N -0.061 114.657 114.554 0.274 0.000 2.929 218 T HA -0.132 4.218 4.350 -0.000 0.000 0.271 218 T C 1.818 176.609 174.700 0.153 0.000 1.085 218 T CA 2.423 64.632 62.100 0.183 0.000 1.125 218 T CB -0.829 68.111 68.868 0.121 0.000 0.874 218 T HN 0.480 nan 8.240 nan 0.000 0.494 219 C N -1.072 118.325 119.300 0.162 0.000 2.524 219 C HA 0.470 4.930 4.460 -0.000 0.000 0.284 219 C C 2.413 177.501 174.990 0.162 0.000 1.346 219 C CA 0.891 59.984 59.018 0.124 0.000 1.739 219 C CB -0.890 26.904 27.740 0.090 0.000 2.119 219 C HN 0.590 nan 8.230 nan 0.000 0.501 220 Y N 1.456 121.824 120.300 0.114 0.000 2.114 220 Y HA -0.168 4.382 4.550 -0.000 0.000 0.282 220 Y C 2.467 178.449 175.900 0.136 0.000 1.165 220 Y CA 2.005 60.190 58.100 0.142 0.000 1.148 220 Y CB -0.171 38.428 38.460 0.233 0.000 0.972 220 Y HN 0.364 nan 8.280 nan 0.000 0.504 221 L N -0.560 120.858 121.223 0.325 0.000 2.156 221 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 221 L C 2.679 179.620 176.870 0.118 0.000 1.095 221 L CA 1.260 56.225 54.840 0.208 0.000 0.770 221 L CB -1.072 41.092 42.059 0.175 0.000 0.914 221 L HN 0.345 nan 8.230 nan 0.000 0.439 222 E N 0.367 120.628 120.200 0.102 0.000 2.394 222 E HA -0.298 4.052 4.350 -0.000 0.000 0.202 222 E C 1.380 178.000 176.600 0.033 0.000 1.029 222 E CA 2.007 58.443 56.400 0.059 0.000 0.855 222 E CB -0.793 28.939 29.700 0.053 0.000 0.770 222 E HN 0.645 nan 8.360 nan 0.000 0.527 223 D N -1.274 119.139 120.400 0.022 0.000 2.380 223 D HA 0.182 4.822 4.640 -0.000 0.000 0.212 223 D C 1.950 178.261 176.300 0.018 0.000 1.021 223 D CA 0.137 54.135 54.000 -0.003 0.000 0.884 223 D CB 0.270 41.037 40.800 -0.055 0.000 1.001 223 D HN 0.425 nan 8.370 nan 0.000 0.506 224 L N 0.553 121.804 121.223 0.046 0.000 1.993 224 L HA 0.008 4.348 4.340 -0.000 0.000 0.206 224 L C 2.445 179.363 176.870 0.079 0.000 1.074 224 L CA 1.573 56.456 54.840 0.071 0.000 0.746 224 L CB -0.752 41.373 42.059 0.109 0.000 0.896 224 L HN 0.040 nan 8.230 nan 0.000 0.435 225 S N -0.836 114.911 115.700 0.079 0.000 2.593 225 S HA 0.116 4.586 4.470 -0.000 0.000 0.217 225 S C 0.791 175.413 174.600 0.037 0.000 0.966 225 S CA 0.174 58.411 58.200 0.062 0.000 0.914 225 S CB -0.130 63.090 63.200 0.032 0.000 0.776 225 S HN 0.286 nan 8.310 nan 0.000 0.523 226 S N -0.356 115.365 115.700 0.034 0.000 3.580 226 S HA 0.174 4.644 4.470 -0.000 0.000 0.472 226 S C -0.038 174.572 174.600 0.017 0.000 0.730 226 S CA 0.728 58.941 58.200 0.022 0.000 1.324 226 S CB -2.430 60.781 63.200 0.019 0.000 1.439 226 S HN 2.137 nan 8.310 nan 0.000 0.676 227 I N 0.449 121.029 120.570 0.018 0.000 1.893 227 I HA 0.628 4.798 4.170 -0.000 0.000 0.319 227 I C -0.136 175.993 176.117 0.021 0.000 2.820 227 I CA -0.261 61.048 61.300 0.015 0.000 0.966 227 I CB 0.341 38.347 38.000 0.009 0.000 2.159 227 I HN 0.763 nan 8.210 nan 0.000 0.682 228 L N 2.128 123.362 121.223 0.019 0.000 2.688 228 L HA 0.453 4.793 4.340 -0.000 0.000 0.216 228 L C 2.042 178.926 176.870 0.022 0.000 1.036 228 L CA 2.296 57.150 54.840 0.025 0.000 0.906 228 L CB -0.250 41.822 42.059 0.022 0.000 1.501 228 L HN 1.660 nan 8.230 nan 0.000 0.489 229 N N -1.077 117.632 118.700 0.015 0.000 2.424 229 N HA 0.026 4.766 4.740 -0.000 0.000 0.178 229 N C 1.785 177.300 175.510 0.009 0.000 1.060 229 N CA 1.213 54.271 53.050 0.013 0.000 0.901 229 N CB -1.074 37.418 38.487 0.009 0.000 0.979 229 N HN 0.389 nan 8.380 nan 0.000 0.451 230 F N -0.050 119.905 119.950 0.008 0.000 2.569 230 F HA 0.599 5.126 4.527 -0.000 0.000 0.295 230 F C 2.735 178.536 175.800 0.001 0.000 1.115 230 F CA 1.320 59.321 58.000 0.002 0.000 1.450 230 F CB -1.024 37.976 39.000 -0.000 0.000 1.107 230 F HN 0.602 nan 8.300 nan 0.000 0.563 231 S N -0.229 115.476 115.700 0.009 0.000 2.593 231 S HA 0.316 4.786 4.470 -0.000 0.000 0.217 231 S C 1.782 176.391 174.600 0.016 0.000 0.966 231 S CA 1.320 59.527 58.200 0.010 0.000 0.914 231 S CB -1.261 61.954 63.200 0.026 0.000 0.776 231 S HN 0.708 nan 8.310 nan 0.000 0.523 232 T N 0.500 115.063 114.554 0.015 0.000 3.004 232 T HA 0.210 4.560 4.350 -0.000 0.000 0.243 232 T C 2.026 176.730 174.700 0.008 0.000 1.020 232 T CA 1.434 63.545 62.100 0.018 0.000 1.145 232 T CB -1.193 67.687 68.868 0.020 0.000 0.876 232 T HN 0.523 nan 8.240 nan 0.000 0.449 233 N N 1.695 120.397 118.700 0.003 0.000 2.137 233 N HA -0.020 4.720 4.740 -0.000 0.000 0.190 233 N C 2.376 177.881 175.510 -0.009 0.000 1.017 233 N CA 2.888 55.936 53.050 -0.003 0.000 0.859 233 N CB -1.776 36.708 38.487 -0.004 0.000 1.002 233 N HN 0.745 nan 8.380 nan 0.000 0.428 234 T N -0.253 114.293 114.554 -0.013 0.000 2.746 234 T HA 0.041 4.391 4.350 -0.000 0.000 0.267 234 T C 2.349 177.038 174.700 -0.019 0.000 1.039 234 T CA 1.997 64.083 62.100 -0.023 0.000 1.142 234 T CB -0.645 68.202 68.868 -0.035 0.000 0.866 234 T HN 0.302 nan 8.240 nan 0.000 0.444 235 V N 1.524 121.433 119.914 -0.009 0.000 2.295 235 V HA -0.120 4.000 4.120 -0.000 0.000 0.246 235 V C 3.481 179.572 176.094 -0.005 0.000 1.049 235 V CA 2.411 64.709 62.300 -0.004 0.000 1.024 235 V CB -1.181 30.649 31.823 0.011 0.000 0.648 235 V HN 0.769 nan 8.190 nan 0.000 0.447 236 R N -0.197 120.301 120.500 -0.003 0.000 2.152 236 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 236 R C 2.176 178.470 176.300 -0.010 0.000 1.117 236 R CA 2.391 58.489 56.100 -0.004 0.000 0.981 236 R CB -1.900 28.399 30.300 -0.002 0.000 0.870 236 R HN 0.679 nan 8.270 nan 0.000 0.451 237 T N -0.547 113.999 114.554 -0.014 0.000 2.894 237 T HA 0.188 4.538 4.350 -0.000 0.000 0.258 237 T C 2.302 176.989 174.700 -0.022 0.000 1.043 237 T CA 1.493 63.582 62.100 -0.018 0.000 1.141 237 T CB -0.166 68.690 68.868 -0.020 0.000 0.873 237 T HN 0.148 nan 8.240 nan 0.000 0.449 238 V N 2.072 121.971 119.914 -0.024 0.000 2.220 238 V HA -0.090 4.030 4.120 -0.000 0.000 0.246 238 V C 3.402 179.481 176.094 -0.025 0.000 1.049 238 V CA 2.719 65.003 62.300 -0.027 0.000 1.003 238 V CB -1.174 30.631 31.823 -0.031 0.000 0.634 238 V HN 0.731 nan 8.190 nan 0.000 0.444 239 K N 0.125 120.513 120.400 -0.020 0.000 2.152 239 K HA -0.269 4.051 4.320 -0.000 0.000 0.206 239 K C 1.899 178.489 176.600 -0.017 0.000 1.048 239 K CA 2.530 58.807 56.287 -0.017 0.000 0.933 239 K CB -1.946 30.549 32.500 -0.009 0.000 0.721 239 K HN 0.784 nan 8.250 nan 0.000 0.447 240 D N -0.851 119.539 120.400 -0.017 0.000 2.123 240 D HA -0.026 4.614 4.640 -0.000 0.000 0.200 240 D C 2.425 178.712 176.300 -0.022 0.000 0.976 240 D CA 2.178 56.168 54.000 -0.017 0.000 0.831 240 D CB -0.745 40.046 40.800 -0.015 0.000 0.974 240 D HN 0.695 nan 8.370 nan 0.000 0.469 241 Q N -0.381 119.404 119.800 -0.026 0.000 2.079 241 Q HA 0.275 4.615 4.340 -0.000 0.000 0.200 241 Q C 2.865 178.842 176.000 -0.038 0.000 0.974 241 Q CA 2.384 58.169 55.803 -0.031 0.000 0.840 241 Q CB -1.476 27.243 28.738 -0.031 0.000 0.898 241 Q HN 1.253 nan 8.270 nan 0.000 0.430 242 V N 1.309 121.200 119.914 -0.038 0.000 2.332 242 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 242 V C 2.471 178.540 176.094 -0.040 0.000 1.055 242 V CA 2.956 65.228 62.300 -0.046 0.000 1.038 242 V CB -1.147 30.652 31.823 -0.040 0.000 0.651 242 V HN 0.874 nan 8.190 nan 0.000 0.450 243 S N -0.688 114.994 115.700 -0.029 0.000 2.803 243 S HA 0.036 4.506 4.470 -0.000 0.000 0.226 243 S C 0.741 175.326 174.600 -0.024 0.000 0.962 243 S CA 0.884 59.070 58.200 -0.024 0.000 0.968 243 S CB -0.224 62.966 63.200 -0.017 0.000 0.786 243 S HN 0.756 nan 8.310 nan 0.000 0.527 244 E N 1.110 121.291 120.200 -0.031 0.000 2.989 244 E HA 0.380 4.730 4.350 -0.000 0.000 0.207 244 E C -0.428 176.152 176.600 -0.034 0.000 0.989 244 E CA -0.133 56.250 56.400 -0.029 0.000 1.186 244 E CB 0.751 30.434 29.700 -0.029 0.000 1.141 244 E HN 0.544 nan 8.360 nan 0.000 0.454 245 A N 0.947 123.744 122.820 -0.038 0.000 2.910 245 A HA 0.519 4.839 4.320 -0.000 0.000 0.316 245 A C 0.175 177.747 177.584 -0.019 0.000 1.493 245 A CA -0.425 51.587 52.037 -0.042 0.000 1.150 245 A CB -1.161 17.801 19.000 -0.063 0.000 1.159 245 A HN 0.233 nan 8.150 nan 0.000 0.526 246 F N 1.218 121.162 119.950 -0.010 0.000 2.406 246 F HA 0.427 4.954 4.527 -0.000 0.000 0.358 246 F C 1.245 177.052 175.800 0.012 0.000 1.161 246 F CA -0.075 57.925 58.000 0.000 0.000 1.185 246 F CB 0.354 39.354 39.000 0.000 0.000 1.421 246 F HN 0.710 nan 8.300 nan 0.000 0.576 247 S N 2.098 117.807 115.700 0.015 0.000 2.465 247 S HA -0.068 4.402 4.470 -0.000 0.000 0.241 247 S C 2.049 176.670 174.600 0.034 0.000 1.000 247 S CA 1.626 59.844 58.200 0.031 0.000 0.964 247 S CB -0.827 62.389 63.200 0.026 0.000 0.763 247 S HN 1.641 nan 8.310 nan 0.000 0.512 248 L N -0.517 120.720 121.223 0.023 0.000 2.693 248 L HA 0.478 4.818 4.340 -0.000 0.000 0.242 248 L C 2.056 178.940 176.870 0.024 0.000 1.157 248 L CA 1.281 56.134 54.840 0.022 0.000 0.929 248 L CB -2.522 39.544 42.059 0.013 0.000 1.103 248 L HN 0.744 nan 8.230 nan 0.000 0.430 249 Y N -1.985 118.334 120.300 0.031 0.000 2.442 249 Y HA 0.475 5.025 4.550 -0.000 0.000 0.250 249 Y C 1.033 176.961 175.900 0.047 0.000 1.113 249 Y CA 0.924 59.043 58.100 0.031 0.000 1.273 249 Y CB -0.681 37.794 38.460 0.026 0.000 1.138 249 Y HN 0.627 nan 8.280 nan 0.000 0.522 250 D N 0.000 120.439 120.400 0.066 0.000 6.856 250 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 250 D CA 0.000 54.056 54.000 0.093 0.000 0.868 250 D CB 0.000 40.897 40.800 0.161 0.000 0.688 250 D HN 0.000 nan 8.370 nan 0.000 0.683