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 3nwy_1_C DATA FIRST_RESID 28 DATA SEQUENCE SGYSRVLLKL GGEMFGGGQV GLDPDVVAQV ARQIADVVRG GVQIAVVIGG DATA SEQUENCE GNFFRGAQLQ QLGMERTRSD YMGMLGTVMN SLALQDFLEK EGIVTRVQTA DATA SEQUENCE ITMGQVAEPY LPLRAVRHLE KGRVVIFGAG MGLPYFSTDT TAAQRALEIG DATA SEQUENCE ADVVLMAKAV DGVFAEDPRX XXXAELLTAV SHREVLDRGL RVADATAFSL DATA SEQUENCE CMDNGMPILV FNLLTDGNIA RAVRGEKIGT LVTT 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.457 174.600 -0.238 0.000 1.055 28 S CA 0.000 58.121 58.200 -0.131 0.000 1.107 28 S CB 0.000 63.135 63.200 -0.109 0.000 0.593 29 G N 0.472 109.118 108.800 -0.256 0.000 2.882 29 G HA2 0.672 4.632 3.960 0.000 0.000 0.164 29 G HA3 0.672 4.632 3.960 0.000 0.000 0.164 29 G C -0.546 174.021 174.900 -0.555 0.000 1.429 29 G CA -0.504 44.320 45.100 -0.461 0.000 1.059 29 G HN 0.437 nan 8.290 nan 0.000 0.581 30 Y N -0.906 119.382 120.300 -0.021 0.000 2.409 30 Y HA 0.474 5.024 4.550 0.000 0.000 0.339 30 Y C 1.457 177.353 175.900 -0.006 0.000 1.033 30 Y CA -0.504 57.587 58.100 -0.014 0.000 1.094 30 Y CB 2.551 40.999 38.460 -0.019 0.000 1.210 30 Y HN 0.332 nan 8.280 nan 0.000 0.456 31 S N 1.281 117.069 115.700 0.147 0.000 2.371 31 S HA 0.082 4.552 4.470 0.000 0.000 0.219 31 S C 0.211 174.865 174.600 0.090 0.000 1.040 31 S CA 0.359 58.611 58.200 0.087 0.000 0.958 31 S CB 0.116 63.352 63.200 0.060 0.000 0.860 31 S HN 0.694 nan 8.310 nan 0.000 0.487 32 R N 0.529 121.089 120.500 0.100 0.000 2.744 32 R HA 0.728 5.068 4.340 0.000 0.000 0.279 32 R C -1.125 175.217 176.300 0.069 0.000 0.977 32 R CA -0.876 55.274 56.100 0.082 0.000 0.906 32 R CB 1.634 31.977 30.300 0.072 0.000 1.197 32 R HN 0.123 nan 8.270 nan 0.000 0.463 33 V N -0.277 119.665 119.914 0.046 0.000 3.040 33 V HA 0.684 4.804 4.120 0.000 0.000 0.312 33 V C -1.061 175.057 176.094 0.040 0.000 1.115 33 V CA -1.207 61.093 62.300 -0.001 0.000 0.998 33 V CB 2.015 33.807 31.823 -0.051 0.000 1.042 33 V HN 0.820 nan 8.190 nan 0.000 0.433 34 L N 3.022 124.266 121.223 0.035 0.000 2.325 34 L HA 0.716 5.056 4.340 0.000 0.000 0.281 34 L C -1.020 175.895 176.870 0.075 0.000 1.004 34 L CA -0.798 54.092 54.840 0.083 0.000 0.823 34 L CB 1.452 43.566 42.059 0.093 0.000 1.236 34 L HN 0.865 nan 8.230 nan 0.000 0.415 35 L N 5.888 127.171 121.223 0.100 0.000 2.282 35 L HA 0.463 4.803 4.340 0.000 0.000 0.288 35 L C -0.624 176.309 176.870 0.104 0.000 1.033 35 L CA 0.015 54.926 54.840 0.117 0.000 0.807 35 L CB 0.964 43.103 42.059 0.134 0.000 1.209 35 L HN 0.510 nan 8.230 nan 0.000 0.423 36 K N 6.830 127.286 120.400 0.093 0.000 2.316 36 K HA 0.417 4.737 4.320 0.000 0.000 0.267 36 K C -1.607 175.006 176.600 0.022 0.000 1.025 36 K CA -0.448 55.871 56.287 0.054 0.000 0.896 36 K CB 0.499 33.027 32.500 0.047 0.000 1.124 36 K HN 0.743 nan 8.250 nan 0.000 0.451 37 L N 2.879 124.096 121.223 -0.010 0.000 2.309 37 L HA 0.442 4.782 4.340 0.000 0.000 0.282 37 L C 1.026 177.834 176.870 -0.104 0.000 1.036 37 L CA -1.152 53.658 54.840 -0.050 0.000 0.806 37 L CB 1.619 43.651 42.059 -0.045 0.000 1.220 37 L HN 0.649 nan 8.230 nan 0.000 0.429 38 G N 0.944 109.688 108.800 -0.094 0.000 2.527 38 G HA2 0.310 4.270 3.960 0.000 0.000 0.248 38 G HA3 0.310 4.270 3.960 0.000 0.000 0.248 38 G C 0.942 175.733 174.900 -0.181 0.000 1.231 38 G CA 0.105 45.139 45.100 -0.109 0.000 0.838 38 G HN 0.856 nan 8.290 nan 0.000 0.570 39 G N 0.441 109.124 108.800 -0.195 0.000 2.418 39 G HA2 -0.166 3.794 3.960 0.000 0.000 0.217 39 G HA3 -0.166 3.794 3.960 0.000 0.000 0.217 39 G C 1.432 176.207 174.900 -0.208 0.000 1.158 39 G CA 1.059 46.003 45.100 -0.260 0.000 0.771 39 G HN 0.620 nan 8.290 nan 0.000 0.545 40 E N -0.403 119.702 120.200 -0.159 0.000 2.187 40 E HA -0.190 4.160 4.350 0.000 0.000 0.199 40 E C 2.278 178.836 176.600 -0.071 0.000 1.004 40 E CA 1.102 57.426 56.400 -0.126 0.000 0.813 40 E CB -0.253 29.389 29.700 -0.098 0.000 0.736 40 E HN 0.550 nan 8.360 nan 0.000 0.468 41 M N -0.799 118.783 119.600 -0.031 0.000 2.108 41 M HA -0.204 4.276 4.480 0.000 0.000 0.261 41 M C 1.228 177.614 176.300 0.142 0.000 1.066 41 M CA 1.498 56.825 55.300 0.046 0.000 1.107 41 M CB -0.039 32.607 32.600 0.077 0.000 1.356 41 M HN 0.089 nan 8.290 nan 0.000 0.406 42 F N 0.075 119.933 119.950 -0.153 0.000 2.234 42 F HA 0.042 4.569 4.527 0.000 0.000 0.299 42 F C 2.490 178.173 175.800 -0.195 0.000 1.087 42 F CA 1.275 59.175 58.000 -0.167 0.000 1.340 42 F CB -1.403 37.500 39.000 -0.161 0.000 1.031 42 F HN 0.261 nan 8.300 nan 0.000 0.500 43 G N -1.175 107.597 108.800 -0.047 0.000 2.551 43 G HA2 0.146 4.106 3.960 0.000 0.000 0.216 43 G HA3 0.146 4.106 3.960 0.000 0.000 0.216 43 G C 1.468 176.316 174.900 -0.087 0.000 1.137 43 G CA 0.397 45.426 45.100 -0.119 0.000 0.798 43 G HN 0.592 nan 8.290 nan 0.000 0.536 44 G N 0.167 108.928 108.800 -0.066 0.000 2.390 44 G HA2 0.237 4.197 3.960 0.000 0.000 0.299 44 G HA3 0.237 4.197 3.960 0.000 0.000 0.299 44 G C 0.917 175.781 174.900 -0.059 0.000 1.002 44 G CA 0.652 45.716 45.100 -0.060 0.000 0.979 44 G HN 1.721 nan 8.290 nan 0.000 0.513 45 G N -1.137 107.625 108.800 -0.064 0.000 2.415 45 G HA2 0.095 4.055 3.960 0.000 0.000 0.189 45 G HA3 0.095 4.055 3.960 0.000 0.000 0.189 45 G C 0.499 175.368 174.900 -0.053 0.000 0.317 45 G CA 1.229 46.294 45.100 -0.057 0.000 0.991 45 G HN 1.443 nan 8.290 nan 0.000 0.415 46 Q N 0.461 120.227 119.800 -0.057 0.000 3.074 46 Q HA 0.634 4.974 4.340 0.000 0.000 0.208 46 Q C 0.107 176.058 176.000 -0.082 0.000 1.167 46 Q CA -0.531 55.239 55.803 -0.054 0.000 0.323 46 Q CB 0.821 29.540 28.738 -0.032 0.000 5.787 46 Q HN 0.540 nan 8.270 nan 0.000 0.307 47 V N 1.040 120.915 119.914 -0.065 0.000 2.394 47 V HA 0.598 4.718 4.120 0.000 0.000 0.282 47 V C 0.483 176.516 176.094 -0.102 0.000 1.031 47 V CA 0.607 62.857 62.300 -0.083 0.000 0.881 47 V CB 0.176 31.996 31.823 -0.006 0.000 0.982 47 V HN 0.982 nan 8.190 nan 0.000 0.451 48 G N 4.609 113.242 108.800 -0.279 0.000 2.516 48 G HA2 -0.139 3.821 3.960 0.000 0.000 0.220 48 G HA3 -0.139 3.821 3.960 0.000 0.000 0.220 48 G C -0.917 173.781 174.900 -0.336 0.000 1.165 48 G CA -0.420 44.487 45.100 -0.321 0.000 1.013 48 G HN 0.698 nan 8.290 nan 0.000 0.590 49 L N 1.170 122.341 121.223 -0.088 0.000 2.349 49 L HA 0.471 4.811 4.340 0.000 0.000 0.278 49 L C -0.922 175.916 176.870 -0.053 0.000 0.996 49 L CA -0.747 54.064 54.840 -0.048 0.000 0.825 49 L CB 1.931 44.035 42.059 0.075 0.000 1.243 49 L HN 0.592 nan 8.230 nan 0.000 0.412 50 D N 5.943 126.280 120.400 -0.104 0.000 2.393 50 D HA 0.166 4.806 4.640 0.000 0.000 0.232 50 D C -1.534 174.654 176.300 -0.186 0.000 1.192 50 D CA -1.929 52.004 54.000 -0.112 0.000 0.882 50 D CB 1.562 42.294 40.800 -0.113 0.000 1.038 50 D HN 0.237 nan 8.370 nan 0.000 0.499 51 P HA -0.069 nan 4.420 nan 0.000 0.231 51 P C 0.432 177.532 177.300 -0.333 0.000 1.158 51 P CA 0.460 63.444 63.100 -0.194 0.000 0.763 51 P CB 0.712 32.499 31.700 0.146 0.000 0.805 52 D N -0.065 120.205 120.400 -0.216 0.000 2.110 52 D HA -0.079 4.561 4.640 0.000 0.000 0.202 52 D C 2.219 178.356 176.300 -0.271 0.000 0.975 52 D CA 0.843 54.725 54.000 -0.197 0.000 0.839 52 D CB -0.836 39.897 40.800 -0.112 0.000 0.996 52 D HN -0.037 nan 8.370 nan 0.000 0.464 53 V N 1.267 121.023 119.914 -0.263 0.000 2.282 53 V HA -0.233 3.887 4.120 0.000 0.000 0.249 53 V C 2.673 178.514 176.094 -0.422 0.000 1.057 53 V CA 1.303 63.439 62.300 -0.272 0.000 1.032 53 V CB -0.582 31.108 31.823 -0.222 0.000 0.645 53 V HN 0.053 nan 8.190 nan 0.000 0.447 54 V N 0.038 119.553 119.914 -0.665 0.000 2.626 54 V HA -0.184 3.936 4.120 0.000 0.000 0.252 54 V C 2.593 178.188 176.094 -0.831 0.000 1.067 54 V CA 1.625 63.367 62.300 -0.930 0.000 1.081 54 V CB -1.052 30.067 31.823 -1.173 0.000 0.686 54 V HN 0.558 nan 8.190 nan 0.000 0.468 55 A N -0.406 121.909 122.820 -0.841 0.000 1.873 55 A HA -0.265 4.055 4.320 0.000 0.000 0.215 55 A C 2.190 179.639 177.584 -0.225 0.000 1.186 55 A CA 1.769 53.516 52.037 -0.483 0.000 0.616 55 A CB -0.468 18.359 19.000 -0.288 0.000 0.823 55 A HN 0.578 nan 8.150 nan 0.000 0.442 56 Q N -0.388 119.287 119.800 -0.209 0.000 2.077 56 Q HA -0.169 4.171 4.340 0.000 0.000 0.206 56 Q C 2.125 178.068 176.000 -0.094 0.000 0.989 56 Q CA 1.982 57.714 55.803 -0.119 0.000 0.853 56 Q CB -0.464 28.208 28.738 -0.109 0.000 0.907 56 Q HN 0.518 nan 8.270 nan 0.000 0.418 57 V N 0.705 120.537 119.914 -0.138 0.000 2.358 57 V HA -0.244 3.876 4.120 0.000 0.000 0.246 57 V C 2.248 178.327 176.094 -0.025 0.000 1.047 57 V CA 1.640 63.901 62.300 -0.066 0.000 1.035 57 V CB -1.072 30.710 31.823 -0.068 0.000 0.658 57 V HN 0.402 nan 8.190 nan 0.000 0.452 58 A N 0.177 122.965 122.820 -0.054 0.000 1.865 58 A HA -0.281 4.039 4.320 0.000 0.000 0.217 58 A C 2.375 179.977 177.584 0.030 0.000 1.191 58 A CA 2.228 54.277 52.037 0.021 0.000 0.623 58 A CB -0.625 18.421 19.000 0.077 0.000 0.826 58 A HN 0.446 nan 8.150 nan 0.000 0.444 59 R N -0.965 119.543 120.500 0.014 0.000 2.103 59 R HA -0.181 4.159 4.340 0.000 0.000 0.242 59 R C 2.441 178.756 176.300 0.026 0.000 1.142 59 R CA 1.853 57.965 56.100 0.020 0.000 0.960 59 R CB -0.177 30.126 30.300 0.006 0.000 0.858 59 R HN 0.554 nan 8.270 nan 0.000 0.439 60 Q N -0.130 119.686 119.800 0.026 0.000 2.123 60 Q HA -0.091 4.249 4.340 0.000 0.000 0.199 60 Q C 2.181 178.215 176.000 0.056 0.000 0.966 60 Q CA 1.210 57.040 55.803 0.046 0.000 0.845 60 Q CB 0.015 28.787 28.738 0.057 0.000 0.907 60 Q HN 0.468 nan 8.270 nan 0.000 0.439 61 I N 0.488 121.092 120.570 0.056 0.000 2.439 61 I HA -0.197 3.973 4.170 0.000 0.000 0.251 61 I C 2.256 178.402 176.117 0.048 0.000 1.139 61 I CA 0.741 62.077 61.300 0.061 0.000 1.438 61 I CB -0.338 37.702 38.000 0.067 0.000 1.085 61 I HN 0.038 nan 8.210 nan 0.000 0.427 62 A N 0.636 123.481 122.820 0.042 0.000 1.877 62 A HA -0.256 4.064 4.320 0.000 0.000 0.216 62 A C 1.961 179.563 177.584 0.031 0.000 1.186 62 A CA 2.018 54.076 52.037 0.034 0.000 0.620 62 A CB -0.601 18.418 19.000 0.032 0.000 0.822 62 A HN 0.309 nan 8.150 nan 0.000 0.443 63 D N -0.334 120.086 120.400 0.033 0.000 2.190 63 D HA -0.116 4.524 4.640 0.000 0.000 0.200 63 D C 2.037 178.355 176.300 0.030 0.000 0.992 63 D CA 1.405 55.423 54.000 0.030 0.000 0.854 63 D CB -0.247 40.572 40.800 0.031 0.000 0.936 63 D HN 0.242 nan 8.370 nan 0.000 0.462 64 V N 0.243 120.178 119.914 0.036 0.000 2.270 64 V HA -0.190 3.930 4.120 0.000 0.000 0.245 64 V C 2.679 178.792 176.094 0.032 0.000 1.043 64 V CA 0.912 63.233 62.300 0.035 0.000 1.014 64 V CB -0.498 31.350 31.823 0.042 0.000 0.645 64 V HN 0.047 nan 8.190 nan 0.000 0.447 65 V N 0.167 120.101 119.914 0.032 0.000 2.282 65 V HA -0.292 3.828 4.120 0.000 0.000 0.249 65 V C 2.632 178.740 176.094 0.024 0.000 1.057 65 V CA 2.202 64.519 62.300 0.028 0.000 1.032 65 V CB -0.797 31.041 31.823 0.026 0.000 0.645 65 V HN 0.482 nan 8.190 nan 0.000 0.447 66 R N 0.047 120.561 120.500 0.022 0.000 2.148 66 R HA -0.062 4.278 4.340 0.000 0.000 0.227 66 R C 2.287 178.597 176.300 0.018 0.000 1.103 66 R CA 1.162 57.273 56.100 0.018 0.000 0.983 66 R CB -0.686 29.624 30.300 0.017 0.000 0.874 66 R HN 0.590 nan 8.270 nan 0.000 0.451 67 G N -0.313 108.499 108.800 0.020 0.000 2.708 67 G HA2 -0.007 3.953 3.960 0.000 0.000 0.210 67 G HA3 -0.007 3.953 3.960 0.000 0.000 0.210 67 G C 0.984 175.896 174.900 0.019 0.000 1.141 67 G CA 0.759 45.870 45.100 0.018 0.000 0.788 67 G HN 0.492 nan 8.290 nan 0.000 0.531 68 G N -1.603 107.209 108.800 0.021 0.000 2.258 68 G HA2 -0.269 3.691 3.960 0.000 0.000 0.233 68 G HA3 -0.269 3.691 3.960 0.000 0.000 0.233 68 G C 0.412 175.329 174.900 0.028 0.000 1.006 68 G CA 0.130 45.242 45.100 0.021 0.000 0.620 68 G HN 0.688 nan 8.290 nan 0.000 0.511 69 V N 1.747 121.681 119.914 0.034 0.000 2.775 69 V HA 0.406 4.526 4.120 0.000 0.000 0.299 69 V C 0.781 176.901 176.094 0.045 0.000 1.062 69 V CA 0.128 62.455 62.300 0.045 0.000 1.063 69 V CB 1.528 33.383 31.823 0.054 0.000 0.994 69 V HN 0.476 nan 8.190 nan 0.000 0.483 70 Q N 3.347 123.177 119.800 0.051 0.000 2.256 70 Q HA 0.629 4.969 4.340 0.000 0.000 0.254 70 Q C -1.258 174.776 176.000 0.057 0.000 0.916 70 Q CA -0.333 55.501 55.803 0.052 0.000 0.932 70 Q CB 1.483 30.255 28.738 0.056 0.000 1.207 70 Q HN 0.616 nan 8.270 nan 0.000 0.426 71 I N 0.768 121.370 120.570 0.053 0.000 2.534 71 I HA 0.653 4.823 4.170 0.000 0.000 0.288 71 I C -0.731 175.419 176.117 0.055 0.000 1.077 71 I CA -0.815 60.520 61.300 0.058 0.000 1.051 71 I CB 1.921 39.953 38.000 0.054 0.000 1.234 71 I HN 0.512 nan 8.210 nan 0.000 0.425 72 A N 5.044 127.917 122.820 0.087 0.000 2.320 72 A HA 0.970 5.290 4.320 0.000 0.000 0.334 72 A C -0.694 176.959 177.584 0.116 0.000 1.147 72 A CA -0.721 51.368 52.037 0.086 0.000 0.820 72 A CB 1.417 20.569 19.000 0.254 0.000 1.218 72 A HN 0.534 nan 8.150 nan 0.000 0.482 73 V N 1.336 121.302 119.914 0.087 0.000 2.604 73 V HA 0.556 4.676 4.120 0.000 0.000 0.305 73 V C -0.580 175.611 176.094 0.162 0.000 1.043 73 V CA -0.555 61.812 62.300 0.110 0.000 0.888 73 V CB 1.695 33.566 31.823 0.080 0.000 0.995 73 V HN 0.652 nan 8.190 nan 0.000 0.429 74 V N 5.558 125.557 119.914 0.141 0.000 2.487 74 V HA 0.560 4.680 4.120 0.000 0.000 0.298 74 V C -0.334 175.774 176.094 0.024 0.000 1.028 74 V CA -0.325 62.045 62.300 0.118 0.000 0.860 74 V CB 1.776 33.660 31.823 0.102 0.000 0.991 74 V HN 0.680 nan 8.190 nan 0.000 0.427 75 I N 3.026 123.581 120.570 -0.025 0.000 2.693 75 I HA 0.672 4.842 4.170 0.000 0.000 0.303 75 I C 0.944 176.987 176.117 -0.123 0.000 1.025 75 I CA -0.577 60.634 61.300 -0.149 0.000 1.086 75 I CB 2.019 39.841 38.000 -0.297 0.000 1.268 75 I HN 0.678 nan 8.210 nan 0.000 0.440 76 G N 1.613 110.313 108.800 -0.167 0.000 2.525 76 G HA2 0.471 4.431 3.960 0.000 0.000 0.287 76 G HA3 0.471 4.431 3.960 0.000 0.000 0.287 76 G C 0.505 175.338 174.900 -0.112 0.000 1.350 76 G CA -0.128 44.906 45.100 -0.110 0.000 1.039 76 G HN 0.861 nan 8.290 nan 0.000 0.513 77 G N -1.740 107.020 108.800 -0.067 0.000 3.829 77 G HA2 0.368 4.328 3.960 0.000 0.000 0.279 77 G HA3 0.368 4.328 3.960 0.000 0.000 0.279 77 G C 1.182 175.960 174.900 -0.204 0.000 1.008 77 G CA 1.072 46.160 45.100 -0.020 0.000 0.840 77 G HN 0.953 nan 8.290 nan 0.000 0.474 78 G N 2.331 110.965 108.800 -0.277 0.000 2.450 78 G HA2 -0.253 3.707 3.960 0.000 0.000 0.220 78 G HA3 -0.253 3.707 3.960 0.000 0.000 0.220 78 G C 1.605 176.186 174.900 -0.532 0.000 1.130 78 G CA 1.222 46.061 45.100 -0.434 0.000 0.760 78 G HN 0.524 nan 8.290 nan 0.000 0.557 79 N N 0.389 118.823 118.700 -0.443 0.000 2.588 79 N HA -0.087 4.654 4.740 0.000 0.000 0.190 79 N C 1.236 176.400 175.510 -0.577 0.000 1.094 79 N CA 0.675 53.427 53.050 -0.496 0.000 0.921 79 N CB -0.557 37.605 38.487 -0.540 0.000 0.959 79 N HN 0.438 nan 8.380 nan 0.000 0.448 80 F N -0.175 119.553 119.950 -0.371 0.000 2.695 80 F HA 0.301 4.828 4.527 0.000 0.000 0.303 80 F C -0.102 175.653 175.800 -0.074 0.000 1.091 80 F CA -0.689 57.195 58.000 -0.193 0.000 1.300 80 F CB 0.257 39.210 39.000 -0.077 0.000 1.071 80 F HN -0.152 nan 8.300 nan 0.000 0.578 81 F N -2.743 117.289 119.950 0.136 0.000 2.556 81 F HA 0.682 5.209 4.527 0.000 0.000 0.314 81 F C 0.719 176.542 175.800 0.039 0.000 1.106 81 F CA -2.081 55.969 58.000 0.084 0.000 0.911 81 F CB 0.556 39.599 39.000 0.070 0.000 1.190 81 F HN -0.412 nan 8.300 nan 0.000 0.448 82 R N 1.734 122.355 120.500 0.202 0.000 2.467 82 R HA 0.124 4.464 4.340 0.000 0.000 0.188 82 R C 0.939 177.277 176.300 0.064 0.000 0.993 82 R CA 1.878 58.042 56.100 0.106 0.000 0.511 82 R CB -1.330 29.030 30.300 0.100 0.000 0.776 82 R HN 1.422 nan 8.270 nan 0.000 0.297 83 G N -4.051 104.797 108.800 0.081 0.000 2.339 83 G HA2 0.455 4.415 3.960 0.000 0.000 0.275 83 G HA3 0.455 4.415 3.960 0.000 0.000 0.275 83 G C -1.870 173.107 174.900 0.128 0.000 1.323 83 G CA -0.162 45.017 45.100 0.131 0.000 0.927 83 G HN 0.767 nan 8.290 nan 0.000 0.486 84 A N -1.153 121.759 122.820 0.153 0.000 2.356 84 A HA 0.883 5.204 4.320 0.000 0.000 0.310 84 A C 0.469 178.084 177.584 0.052 0.000 1.075 84 A CA 1.015 53.127 52.037 0.126 0.000 0.746 84 A CB 1.704 20.798 19.000 0.157 0.000 1.221 84 A HN 2.019 nan 8.150 nan 0.000 0.443 85 Q N -0.667 119.147 119.800 0.023 0.000 6.606 85 Q HA -0.304 4.036 4.340 0.000 0.000 0.318 85 Q C 1.785 177.779 176.000 -0.011 0.000 1.854 85 Q CA 2.095 57.910 55.803 0.019 0.000 0.454 85 Q CB -1.704 27.064 28.738 0.049 0.000 0.175 85 Q HN 1.684 nan 8.270 nan 0.000 0.765 86 L N 1.222 122.421 121.223 -0.040 0.000 1.989 86 L HA -0.141 4.199 4.340 0.000 0.000 0.211 86 L C 2.338 179.159 176.870 -0.081 0.000 1.071 86 L CA 2.941 57.726 54.840 -0.091 0.000 0.749 86 L CB -1.565 40.371 42.059 -0.206 0.000 0.890 86 L HN 0.518 nan 8.230 nan 0.000 0.431 87 Q N -0.410 119.343 119.800 -0.079 0.000 1.994 87 Q HA -0.041 4.299 4.340 0.000 0.000 0.198 87 Q C 1.931 177.909 176.000 -0.036 0.000 0.976 87 Q CA 1.255 57.020 55.803 -0.064 0.000 0.828 87 Q CB -0.160 28.543 28.738 -0.060 0.000 0.894 87 Q HN 0.870 nan 8.270 nan 0.000 0.432 88 Q N 0.129 119.917 119.800 -0.020 0.000 2.780 88 Q HA 0.449 4.789 4.340 0.000 0.000 0.234 88 Q C 0.280 176.273 176.000 -0.011 0.000 1.355 88 Q CA 0.784 56.580 55.803 -0.011 0.000 0.919 88 Q CB -0.981 nan 28.738 nan 0.000 1.645 88 Q HN 0.512 nan 8.270 nan 0.000 0.568 89 L N -2.014 119.199 121.223 -0.017 0.000 0.897 89 L HA 0.438 4.778 4.340 0.000 0.000 0.501 89 L C 1.341 178.196 176.870 -0.025 0.000 0.799 89 L CA 0.838 55.667 54.840 -0.018 0.000 1.788 89 L CB -1.545 nan 42.059 nan 0.000 1.333 89 L HN 1.977 nan 8.230 nan 0.000 0.357 90 G N -1.135 107.648 108.800 -0.027 0.000 2.561 90 G HA2 0.006 3.966 3.960 0.000 0.000 0.203 90 G HA3 0.006 3.966 3.960 0.000 0.000 0.203 90 G C 0.441 175.318 174.900 -0.038 0.000 1.101 90 G CA 0.188 45.271 45.100 -0.028 0.000 0.711 90 G HN 1.230 nan 8.290 nan 0.000 0.511 91 M N 2.259 121.826 119.600 -0.055 0.000 2.252 91 M HA 0.176 4.656 4.480 0.000 0.000 0.348 91 M C 0.479 176.734 176.300 -0.076 0.000 1.334 91 M CA 0.378 55.634 55.300 -0.073 0.000 1.071 91 M CB 0.411 32.945 32.600 -0.110 0.000 1.763 91 M HN 0.292 nan 8.290 nan 0.000 0.452 92 E N 2.917 123.074 120.200 -0.072 0.000 2.415 92 E HA -0.039 4.311 4.350 0.000 0.000 0.262 92 E C 0.857 177.373 176.600 -0.140 0.000 1.038 92 E CA 0.074 56.426 56.400 -0.081 0.000 0.921 92 E CB 0.658 30.322 29.700 -0.062 0.000 0.950 92 E HN 0.579 nan 8.360 nan 0.000 0.438 93 R N 1.559 121.960 120.500 -0.164 0.000 2.103 93 R HA -0.173 4.167 4.340 0.000 0.000 0.242 93 R C 2.054 178.112 176.300 -0.402 0.000 1.142 93 R CA 1.869 57.805 56.100 -0.274 0.000 0.960 93 R CB -0.246 29.852 30.300 -0.337 0.000 0.858 93 R HN 0.510 nan 8.270 nan 0.000 0.439 94 T N -0.132 114.185 114.554 -0.394 0.000 2.665 94 T HA -0.206 4.144 4.350 0.000 0.000 0.268 94 T C 1.827 176.232 174.700 -0.491 0.000 1.035 94 T CA 1.880 63.697 62.100 -0.471 0.000 1.151 94 T CB -0.088 68.636 68.868 -0.240 0.000 0.862 94 T HN 0.284 nan 8.240 nan 0.000 0.438 95 R N 0.510 120.872 120.500 -0.230 0.000 2.093 95 R HA -0.005 4.335 4.340 0.000 0.000 0.224 95 R C 2.613 178.834 176.300 -0.131 0.000 1.101 95 R CA 1.695 57.743 56.100 -0.088 0.000 0.979 95 R CB -0.179 30.101 30.300 -0.034 0.000 0.877 95 R HN 0.448 nan 8.270 nan 0.000 0.441 96 S N 0.168 115.743 115.700 -0.207 0.000 2.406 96 S HA -0.076 4.394 4.470 0.000 0.000 0.228 96 S C 1.259 175.751 174.600 -0.180 0.000 1.020 96 S CA 1.109 59.158 58.200 -0.252 0.000 0.965 96 S CB -0.207 62.828 63.200 -0.274 0.000 0.798 96 S HN 0.270 nan 8.310 nan 0.000 0.488 97 D N 1.169 121.435 120.400 -0.223 0.000 2.117 97 D HA -0.053 4.588 4.640 0.000 0.000 0.197 97 D C 1.621 177.881 176.300 -0.067 0.000 0.987 97 D CA 1.191 55.081 54.000 -0.184 0.000 0.829 97 D CB -0.507 40.076 40.800 -0.362 0.000 0.961 97 D HN 0.602 nan 8.370 nan 0.000 0.460 98 Y N 0.052 120.330 120.300 -0.037 0.000 2.274 98 Y HA -0.111 4.439 4.550 0.000 0.000 0.290 98 Y C 2.554 178.458 175.900 0.007 0.000 1.145 98 Y CA 0.282 58.374 58.100 -0.013 0.000 1.203 98 Y CB -0.106 38.338 38.460 -0.026 0.000 0.984 98 Y HN -0.055 nan 8.280 nan 0.000 0.533 99 M N -0.618 119.062 119.600 0.133 0.000 2.156 99 M HA -0.122 4.358 4.480 0.000 0.000 0.264 99 M C 2.557 179.016 176.300 0.265 0.000 1.067 99 M CA 1.547 56.918 55.300 0.118 0.000 1.131 99 M CB -0.780 31.791 32.600 -0.050 0.000 1.368 99 M HN 0.385 nan 8.290 nan 0.000 0.416 100 G N 0.523 109.517 108.800 0.324 0.000 2.459 100 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 100 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 100 G C 1.502 176.522 174.900 0.200 0.000 1.183 100 G CA 0.785 46.104 45.100 0.365 0.000 0.776 100 G HN 0.328 nan 8.290 nan 0.000 0.552 101 M N -0.087 119.610 119.600 0.162 0.000 2.082 101 M HA -0.049 4.431 4.480 0.000 0.000 0.258 101 M C 2.609 178.968 176.300 0.098 0.000 1.069 101 M CA 1.260 56.636 55.300 0.127 0.000 1.102 101 M CB -0.467 32.227 32.600 0.157 0.000 1.336 101 M HN 0.155 nan 8.290 nan 0.000 0.404 102 L N -0.646 120.633 121.223 0.094 0.000 2.131 102 L HA -0.129 4.211 4.340 0.000 0.000 0.210 102 L C 2.673 179.537 176.870 -0.011 0.000 1.092 102 L CA 1.215 56.075 54.840 0.033 0.000 0.759 102 L CB -1.164 40.905 42.059 0.016 0.000 0.903 102 L HN 0.427 nan 8.230 nan 0.000 0.435 103 G N -0.205 108.622 108.800 0.045 0.000 2.421 103 G HA2 -0.308 3.652 3.960 0.000 0.000 0.216 103 G HA3 -0.308 3.652 3.960 0.000 0.000 0.216 103 G C 1.717 176.705 174.900 0.146 0.000 1.171 103 G CA 1.347 46.479 45.100 0.054 0.000 0.775 103 G HN 0.449 nan 8.290 nan 0.000 0.543 104 T N -0.598 114.023 114.554 0.110 0.000 2.759 104 T HA -0.132 4.218 4.350 0.000 0.000 0.269 104 T C 2.225 176.966 174.700 0.069 0.000 1.042 104 T CA 1.663 63.803 62.100 0.066 0.000 1.140 104 T CB -0.500 68.394 68.868 0.042 0.000 0.864 104 T HN 0.032 nan 8.240 nan 0.000 0.455 105 V N 0.812 120.760 119.914 0.057 0.000 2.667 105 V HA 0.055 4.175 4.120 0.000 0.000 0.252 105 V C 2.693 178.823 176.094 0.059 0.000 1.065 105 V CA 1.492 63.823 62.300 0.052 0.000 1.083 105 V CB -0.681 31.163 31.823 0.035 0.000 0.692 105 V HN 0.461 nan 8.190 nan 0.000 0.468 106 M N -0.156 119.469 119.600 0.040 0.000 2.156 106 M HA -0.099 4.381 4.480 0.000 0.000 0.264 106 M C 2.177 178.625 176.300 0.247 0.000 1.067 106 M CA 1.424 56.763 55.300 0.066 0.000 1.131 106 M CB -0.376 32.123 32.600 -0.168 0.000 1.368 106 M HN 0.332 nan 8.290 nan 0.000 0.416 107 N N 0.094 118.988 118.700 0.323 0.000 2.104 107 N HA -0.119 4.622 4.740 0.000 0.000 0.190 107 N C 1.723 177.440 175.510 0.345 0.000 1.024 107 N CA 1.642 54.911 53.050 0.366 0.000 0.853 107 N CB -0.479 38.012 38.487 0.007 0.000 1.008 107 N HN 0.215 nan 8.380 nan 0.000 0.424 108 S N 1.000 116.812 115.700 0.186 0.000 2.368 108 S HA 0.032 4.502 4.470 0.000 0.000 0.225 108 S C 2.080 176.777 174.600 0.163 0.000 1.030 108 S CA 0.580 58.874 58.200 0.158 0.000 0.999 108 S CB -0.182 63.072 63.200 0.090 0.000 0.844 108 S HN 0.263 nan 8.310 nan 0.000 0.459 109 L N 0.975 122.284 121.223 0.143 0.000 2.093 109 L HA -0.103 4.237 4.340 0.000 0.000 0.208 109 L C 2.815 179.771 176.870 0.143 0.000 1.085 109 L CA 1.182 56.089 54.840 0.111 0.000 0.755 109 L CB -0.838 41.268 42.059 0.080 0.000 0.904 109 L HN 0.335 nan 8.230 nan 0.000 0.435 110 A N 0.185 123.135 122.820 0.217 0.000 1.877 110 A HA -0.235 4.085 4.320 0.000 0.000 0.216 110 A C 2.189 179.966 177.584 0.323 0.000 1.186 110 A CA 1.612 53.809 52.037 0.267 0.000 0.620 110 A CB -0.678 18.511 19.000 0.315 0.000 0.822 110 A HN 0.314 nan 8.150 nan 0.000 0.443 111 L N -0.039 121.369 121.223 0.309 0.000 2.046 111 L HA -0.190 4.150 4.340 0.000 0.000 0.208 111 L C 2.508 179.497 176.870 0.200 0.000 1.077 111 L CA 2.683 57.680 54.840 0.262 0.000 0.747 111 L CB -1.000 41.262 42.059 0.340 0.000 0.896 111 L HN 0.629 nan 8.230 nan 0.000 0.432 112 Q N -0.686 119.201 119.800 0.146 0.000 2.077 112 Q HA -0.325 4.015 4.340 0.000 0.000 0.206 112 Q C 1.984 178.017 176.000 0.055 0.000 0.989 112 Q CA 2.533 58.382 55.803 0.077 0.000 0.853 112 Q CB -0.283 28.483 28.738 0.046 0.000 0.907 112 Q HN 0.684 nan 8.270 nan 0.000 0.418 113 D N -1.176 119.251 120.400 0.045 0.000 2.117 113 D HA -0.155 4.485 4.640 0.000 0.000 0.197 113 D C 1.406 177.630 176.300 -0.125 0.000 0.987 113 D CA 1.249 55.210 54.000 -0.064 0.000 0.829 113 D CB -0.109 40.616 40.800 -0.125 0.000 0.961 113 D HN 0.314 nan 8.370 nan 0.000 0.460 114 F N -0.023 119.917 119.950 -0.017 0.000 2.234 114 F HA 0.032 4.559 4.527 0.000 0.000 0.299 114 F C 2.086 177.873 175.800 -0.021 0.000 1.087 114 F CA 0.552 58.533 58.000 -0.031 0.000 1.340 114 F CB -0.099 38.865 39.000 -0.061 0.000 1.031 114 F HN 0.008 nan 8.300 nan 0.000 0.500 115 L N -0.425 120.889 121.223 0.152 0.000 2.093 115 L HA -0.176 4.164 4.340 0.000 0.000 0.208 115 L C 2.258 179.150 176.870 0.038 0.000 1.085 115 L CA 1.302 56.192 54.840 0.084 0.000 0.755 115 L CB -0.518 41.581 42.059 0.067 0.000 0.904 115 L HN 0.141 nan 8.230 nan 0.000 0.435 116 E N -0.023 120.184 120.200 0.012 0.000 2.106 116 E HA -0.172 4.178 4.350 0.000 0.000 0.192 116 E C 1.824 178.411 176.600 -0.022 0.000 0.984 116 E CA 0.719 57.110 56.400 -0.014 0.000 0.806 116 E CB 0.112 29.793 29.700 -0.032 0.000 0.750 116 E HN 0.317 nan 8.360 nan 0.000 0.458 117 K N 0.722 121.100 120.400 -0.037 0.000 2.439 117 K HA -0.075 4.245 4.320 0.000 0.000 0.197 117 K C 1.288 177.888 176.600 -0.000 0.000 1.041 117 K CA 0.629 56.892 56.287 -0.040 0.000 0.970 117 K CB 0.143 32.590 32.500 -0.087 0.000 0.773 117 K HN 0.014 nan 8.250 nan 0.000 0.479 118 E N -0.071 120.142 120.200 0.021 0.000 2.465 118 E HA 0.077 4.427 4.350 0.000 0.000 0.191 118 E C 0.775 177.386 176.600 0.018 0.000 1.053 118 E CA 0.368 56.787 56.400 0.032 0.000 0.869 118 E CB 0.136 29.868 29.700 0.052 0.000 0.977 118 E HN 0.402 nan 8.360 nan 0.000 0.483 119 G N 0.318 109.122 108.800 0.008 0.000 2.179 119 G HA2 -0.245 3.715 3.960 0.000 0.000 0.260 119 G HA3 -0.245 3.715 3.960 0.000 0.000 0.260 119 G C 0.154 175.057 174.900 0.004 0.000 0.977 119 G CA 0.281 45.383 45.100 0.004 0.000 0.641 119 G HN 0.216 nan 8.290 nan 0.000 0.533 120 I N 1.862 122.437 120.570 0.009 0.000 2.325 120 I HA 0.331 4.501 4.170 0.000 0.000 0.291 120 I C 1.031 177.145 176.117 -0.004 0.000 1.019 120 I CA -0.967 60.338 61.300 0.007 0.000 1.302 120 I CB 1.107 39.118 38.000 0.017 0.000 1.401 120 I HN -0.119 nan 8.210 nan 0.000 0.485 121 V N 7.249 127.155 119.914 -0.013 0.000 2.521 121 V HA 0.201 4.321 4.120 0.000 0.000 0.286 121 V C 0.559 176.625 176.094 -0.047 0.000 1.034 121 V CA 0.312 62.594 62.300 -0.031 0.000 1.045 121 V CB 0.791 32.594 31.823 -0.033 0.000 0.974 121 V HN 0.849 nan 8.190 nan 0.000 0.480 122 T N 5.990 120.506 114.554 -0.064 0.000 2.912 122 T HA 0.614 4.964 4.350 0.000 0.000 0.299 122 T C -0.599 174.026 174.700 -0.124 0.000 1.052 122 T CA -0.888 61.166 62.100 -0.076 0.000 0.996 122 T CB 1.823 70.670 68.868 -0.033 0.000 1.070 122 T HN 0.462 nan 8.240 nan 0.000 0.465 123 R N 1.335 121.732 120.500 -0.172 0.000 2.670 123 R HA 0.725 5.065 4.340 0.000 0.000 0.289 123 R C -1.225 174.996 176.300 -0.131 0.000 0.965 123 R CA -0.816 55.163 56.100 -0.202 0.000 0.899 123 R CB 2.042 32.092 30.300 -0.416 0.000 1.173 123 R HN 0.452 nan 8.270 nan 0.000 0.456 124 V N 3.452 123.322 119.914 -0.073 0.000 2.417 124 V HA 0.364 4.484 4.120 0.000 0.000 0.291 124 V C -0.068 176.035 176.094 0.016 0.000 1.024 124 V CA -0.765 61.513 62.300 -0.037 0.000 0.861 124 V CB 1.720 33.544 31.823 0.003 0.000 0.985 124 V HN 0.542 nan 8.190 nan 0.000 0.436 125 Q N 2.492 122.319 119.800 0.044 0.000 2.312 125 Q HA 0.581 4.921 4.340 0.000 0.000 0.263 125 Q C -0.337 175.797 176.000 0.223 0.000 0.995 125 Q CA -0.642 55.267 55.803 0.177 0.000 0.853 125 Q CB 2.424 31.349 28.738 0.312 0.000 1.300 125 Q HN 0.855 nan 8.270 nan 0.000 0.448 126 T N -1.833 112.833 114.554 0.187 0.000 2.794 126 T HA 0.514 4.864 4.350 0.000 0.000 0.280 126 T C 0.959 175.744 174.700 0.141 0.000 0.987 126 T CA -0.374 61.811 62.100 0.141 0.000 0.993 126 T CB 1.673 70.595 68.868 0.090 0.000 0.939 126 T HN 0.624 nan 8.240 nan 0.000 0.449 127 A N 3.765 126.618 122.820 0.056 0.000 1.873 127 A HA 0.090 4.410 4.320 0.000 0.000 0.218 127 A C 1.041 178.651 177.584 0.044 0.000 1.193 127 A CA 0.862 52.881 52.037 -0.029 0.000 0.629 127 A CB -0.858 18.067 19.000 -0.124 0.000 0.826 127 A HN 0.880 nan 8.150 nan 0.000 0.447 128 I N 0.656 121.251 120.570 0.041 0.000 2.441 128 I HA 0.156 4.326 4.170 0.000 0.000 0.287 128 I C 0.812 176.958 176.117 0.049 0.000 1.049 128 I CA -0.109 61.213 61.300 0.036 0.000 1.381 128 I CB 1.380 39.385 38.000 0.009 0.000 1.409 128 I HN 0.226 nan 8.210 nan 0.000 0.523 129 T N 6.585 121.168 114.554 0.049 0.000 2.814 129 T HA 0.404 4.754 4.350 0.000 0.000 0.297 129 T C -0.113 174.606 174.700 0.032 0.000 0.956 129 T CA -0.418 61.715 62.100 0.054 0.000 1.123 129 T CB 0.228 69.130 68.868 0.056 0.000 0.902 129 T HN 0.537 nan 8.240 nan 0.000 0.528 130 M N 5.167 124.788 119.600 0.035 0.000 2.634 130 M HA 0.307 4.787 4.480 0.000 0.000 0.211 130 M C 1.657 177.971 176.300 0.023 0.000 1.019 130 M CA -0.763 54.550 55.300 0.021 0.000 0.834 130 M CB 0.718 33.331 32.600 0.020 0.000 1.376 130 M HN 0.989 nan 8.290 nan 0.000 0.465 131 G N 1.002 109.814 108.800 0.021 0.000 2.783 131 G HA2 -0.337 3.623 3.960 0.000 0.000 0.225 131 G HA3 -0.337 3.623 3.960 0.000 0.000 0.225 131 G C 1.136 176.047 174.900 0.019 0.000 1.191 131 G CA 1.625 46.738 45.100 0.022 0.000 0.774 131 G HN 0.549 nan 8.290 nan 0.000 0.632 132 Q N -0.505 119.303 119.800 0.013 0.000 2.172 132 Q HA 0.126 4.466 4.340 0.000 0.000 0.200 132 Q C 2.808 178.815 176.000 0.012 0.000 0.964 132 Q CA 1.087 56.896 55.803 0.010 0.000 0.855 132 Q CB -0.197 28.544 28.738 0.006 0.000 0.918 132 Q HN 0.412 nan 8.270 nan 0.000 0.444 133 V N -0.602 119.320 119.914 0.014 0.000 2.535 133 V HA 0.151 4.271 4.120 0.000 0.000 0.246 133 V C 0.707 176.813 176.094 0.019 0.000 1.045 133 V CA 1.131 63.440 62.300 0.014 0.000 1.058 133 V CB -0.049 31.783 31.823 0.014 0.000 0.689 133 V HN 0.359 nan 8.190 nan 0.000 0.461 134 A N -1.155 121.681 122.820 0.027 0.000 2.536 134 A HA 0.591 4.911 4.320 0.000 0.000 0.293 134 A C -1.031 176.581 177.584 0.047 0.000 1.119 134 A CA -0.717 51.340 52.037 0.034 0.000 0.654 134 A CB 0.791 19.816 19.000 0.042 0.000 1.291 134 A HN 0.205 nan 8.150 nan 0.000 0.439 135 E N 0.574 120.810 120.200 0.060 0.000 2.349 135 E HA 0.432 4.782 4.350 0.000 0.000 0.262 135 E C -2.409 174.256 176.600 0.109 0.000 1.088 135 E CA -1.544 54.905 56.400 0.081 0.000 0.899 135 E CB 0.540 30.301 29.700 0.102 0.000 1.044 135 E HN 0.344 nan 8.360 nan 0.000 0.420 136 P HA -0.022 nan 4.420 nan 0.000 0.276 136 P C -1.061 176.357 177.300 0.196 0.000 1.244 136 P CA -0.285 62.896 63.100 0.135 0.000 0.801 136 P CB 0.268 32.023 31.700 0.092 0.000 1.006 137 Y N 2.855 123.215 120.300 0.102 0.000 2.697 137 Y HA 0.246 4.796 4.550 0.000 0.000 0.349 137 Y C -0.664 175.292 175.900 0.093 0.000 1.120 137 Y CA 0.286 58.465 58.100 0.132 0.000 1.468 137 Y CB -0.728 37.790 38.460 0.097 0.000 1.182 137 Y HN 0.142 nan 8.280 nan 0.000 0.525 138 L N 10.267 131.336 121.223 -0.257 0.000 2.490 138 L HA 0.265 4.605 4.340 0.000 0.000 0.256 138 L C -1.697 174.994 176.870 -0.299 0.000 1.089 138 L CA -1.710 52.946 54.840 -0.307 0.000 0.916 138 L CB 1.834 43.821 42.059 -0.121 0.000 1.188 138 L HN 0.415 nan 8.230 nan 0.000 0.476 139 P HA -0.208 nan 4.420 nan 0.000 0.217 139 P C 1.623 178.865 177.300 -0.095 0.000 1.151 139 P CA 1.389 64.360 63.100 -0.216 0.000 0.849 139 P CB 0.479 32.033 31.700 -0.244 0.000 0.787 140 L N -1.177 119.975 121.223 -0.119 0.000 2.131 140 L HA -0.121 4.219 4.340 0.000 0.000 0.210 140 L C 2.984 179.788 176.870 -0.111 0.000 1.092 140 L CA 1.374 56.160 54.840 -0.089 0.000 0.759 140 L CB -0.575 41.434 42.059 -0.083 0.000 0.903 140 L HN -0.072 nan 8.230 nan 0.000 0.435 141 R N -0.323 120.090 120.500 -0.145 0.000 2.119 141 R HA -0.055 4.285 4.340 0.000 0.000 0.222 141 R C 2.401 178.482 176.300 -0.366 0.000 1.088 141 R CA 0.997 56.945 56.100 -0.252 0.000 0.984 141 R CB -0.108 30.069 30.300 -0.205 0.000 0.884 141 R HN 0.319 nan 8.270 nan 0.000 0.447 142 A N 0.327 123.078 122.820 -0.115 0.000 1.858 142 A HA -0.134 4.186 4.320 0.000 0.000 0.216 142 A C 2.194 179.799 177.584 0.035 0.000 1.190 142 A CA 1.572 53.638 52.037 0.049 0.000 0.617 142 A CB -0.705 18.444 19.000 0.248 0.000 0.827 142 A HN 0.168 nan 8.150 nan 0.000 0.443 143 V N -0.032 119.893 119.914 0.018 0.000 2.282 143 V HA -0.291 3.829 4.120 0.000 0.000 0.249 143 V C 2.689 178.780 176.094 -0.005 0.000 1.057 143 V CA 2.474 64.788 62.300 0.023 0.000 1.032 143 V CB -0.850 30.979 31.823 0.010 0.000 0.645 143 V HN 0.564 nan 8.190 nan 0.000 0.447 144 R N -0.556 119.899 120.500 -0.075 0.000 2.103 144 R HA -0.168 4.173 4.340 0.000 0.000 0.242 144 R C 2.275 178.561 176.300 -0.022 0.000 1.142 144 R CA 1.685 57.733 56.100 -0.086 0.000 0.960 144 R CB -0.750 29.451 30.300 -0.167 0.000 0.858 144 R HN 0.636 nan 8.270 nan 0.000 0.439 145 H N -0.029 119.044 119.070 0.005 0.000 2.321 145 H HA -0.052 4.504 4.556 0.000 0.000 0.300 145 H C 2.058 177.387 175.328 0.001 0.000 1.087 145 H CA 1.709 57.756 56.048 -0.003 0.000 1.319 145 H CB -0.500 29.252 29.762 -0.017 0.000 1.379 145 H HN 0.172 nan 8.280 nan 0.000 0.501 146 L N 0.621 121.928 121.223 0.140 0.000 2.013 146 L HA -0.202 4.138 4.340 0.000 0.000 0.212 146 L C 2.237 179.145 176.870 0.064 0.000 1.073 146 L CA 1.502 56.394 54.840 0.085 0.000 0.753 146 L CB -0.467 41.639 42.059 0.078 0.000 0.890 146 L HN 0.294 nan 8.230 nan 0.000 0.432 147 E N 0.068 120.301 120.200 0.055 0.000 2.409 147 E HA -0.171 4.180 4.350 0.000 0.000 0.198 147 E C 1.337 177.960 176.600 0.039 0.000 1.024 147 E CA 0.648 57.071 56.400 0.039 0.000 0.861 147 E CB 0.070 29.785 29.700 0.026 0.000 0.788 147 E HN 0.467 nan 8.360 nan 0.000 0.521 148 K N -0.313 120.119 120.400 0.053 0.000 2.410 148 K HA 0.137 4.457 4.320 0.000 0.000 0.200 148 K C 0.624 177.247 176.600 0.038 0.000 1.023 148 K CA 0.332 56.647 56.287 0.047 0.000 1.149 148 K CB 0.961 33.499 32.500 0.063 0.000 0.859 148 K HN 0.129 nan 8.250 nan 0.000 0.514 149 G N 2.541 111.363 108.800 0.037 0.000 2.246 149 G HA2 -0.310 3.650 3.960 0.000 0.000 0.273 149 G HA3 -0.310 3.650 3.960 0.000 0.000 0.273 149 G C -0.421 174.492 174.900 0.021 0.000 1.055 149 G CA 0.042 45.159 45.100 0.028 0.000 0.851 149 G HN 0.295 nan 8.290 nan 0.000 0.500 150 R N -0.892 119.623 120.500 0.025 0.000 2.474 150 R HA 0.570 4.910 4.340 0.000 0.000 0.295 150 R C 0.357 176.654 176.300 -0.004 0.000 0.980 150 R CA -0.902 55.195 56.100 -0.005 0.000 0.934 150 R CB 1.913 32.189 30.300 -0.039 0.000 1.101 150 R HN 0.083 nan 8.270 nan 0.000 0.469 151 V N 3.045 122.945 119.914 -0.023 0.000 2.614 151 V HA 0.155 4.275 4.120 0.000 0.000 0.291 151 V C 0.167 176.215 176.094 -0.077 0.000 1.049 151 V CA -0.400 61.885 62.300 -0.027 0.000 1.038 151 V CB 1.466 33.282 31.823 -0.011 0.000 0.980 151 V HN 0.424 nan 8.190 nan 0.000 0.481 152 V N 6.123 125.971 119.914 -0.110 0.000 2.459 152 V HA 0.495 4.615 4.120 0.000 0.000 0.295 152 V C -0.134 175.757 176.094 -0.339 0.000 1.029 152 V CA -0.407 61.746 62.300 -0.244 0.000 0.874 152 V CB 1.695 33.339 31.823 -0.299 0.000 0.985 152 V HN 0.648 nan 8.190 nan 0.000 0.438 153 I N 4.625 125.008 120.570 -0.313 0.000 2.377 153 I HA 0.454 4.624 4.170 0.000 0.000 0.293 153 I C -1.041 174.908 176.117 -0.279 0.000 0.987 153 I CA -0.307 60.865 61.300 -0.213 0.000 1.185 153 I CB 1.580 39.552 38.000 -0.047 0.000 1.341 153 I HN 0.401 nan 8.210 nan 0.000 0.455 154 F N 3.997 123.984 119.950 0.062 0.000 2.361 154 F HA 0.550 5.077 4.527 0.000 0.000 0.364 154 F C 0.858 176.664 175.800 0.010 0.000 1.117 154 F CA -0.638 57.391 58.000 0.047 0.000 1.071 154 F CB 1.405 40.424 39.000 0.031 0.000 1.188 154 F HN 0.389 nan 8.300 nan 0.000 0.464 155 G N 1.220 110.129 108.800 0.182 0.000 2.461 155 G HA2 0.527 4.487 3.960 0.000 0.000 0.329 155 G HA3 0.527 4.487 3.960 0.000 0.000 0.329 155 G C 0.120 175.064 174.900 0.073 0.000 1.170 155 G CA -0.459 44.702 45.100 0.102 0.000 0.935 155 G HN 1.203 nan 8.290 nan 0.000 0.492 156 A N -0.870 121.985 122.820 0.057 0.000 2.872 156 A HA 0.220 4.540 4.320 0.000 0.000 0.273 156 A C 2.169 179.774 177.584 0.034 0.000 1.442 156 A CA 1.611 53.681 52.037 0.054 0.000 0.801 156 A CB -1.510 17.522 19.000 0.054 0.000 1.031 156 A HN 3.038 nan 8.150 nan 0.000 0.582 157 G N -1.476 107.335 108.800 0.018 0.000 2.651 157 G HA2 -0.291 3.669 3.960 0.000 0.000 0.315 157 G HA3 -0.291 3.669 3.960 0.000 0.000 0.315 157 G C 0.839 175.683 174.900 -0.092 0.000 1.258 157 G CA 1.352 46.444 45.100 -0.013 0.000 1.002 157 G HN 1.440 nan 8.290 nan 0.000 0.551 158 M N 1.741 121.298 119.600 -0.072 0.000 2.371 158 M HA 0.408 4.888 4.480 0.000 0.000 0.246 158 M C 1.731 178.010 176.300 -0.035 0.000 1.103 158 M CA 1.532 56.750 55.300 -0.137 0.000 1.010 158 M CB 0.461 32.956 32.600 -0.176 0.000 1.457 158 M HN 2.085 nan 8.290 nan 0.000 0.486 159 G N 1.326 110.150 108.800 0.040 0.000 2.153 159 G HA2 -0.244 3.716 3.960 0.000 0.000 0.252 159 G HA3 -0.244 3.716 3.960 0.000 0.000 0.252 159 G C -0.272 174.751 174.900 0.204 0.000 0.994 159 G CA 0.063 45.230 45.100 0.112 0.000 0.698 159 G HN 0.426 nan 8.290 nan 0.000 0.521 160 L N 0.120 121.470 121.223 0.212 0.000 2.436 160 L HA 0.484 4.824 4.340 0.000 0.000 0.268 160 L C -2.260 174.701 176.870 0.150 0.000 0.974 160 L CA -2.404 52.584 54.840 0.247 0.000 0.826 160 L CB 2.588 44.863 42.059 0.360 0.000 1.291 160 L HN -0.153 nan 8.230 nan 0.000 0.406 161 P HA 0.170 nan 4.420 nan 0.000 0.270 161 P C -0.636 176.585 177.300 -0.131 0.000 1.223 161 P CA 0.323 63.262 63.100 -0.267 0.000 0.785 161 P CB 0.221 31.609 31.700 -0.520 0.000 0.923 162 Y N -3.110 117.081 120.300 -0.181 0.000 4.866 162 Y HA -0.221 4.329 4.550 0.000 0.000 0.282 162 Y C 0.231 175.935 175.900 -0.327 0.000 0.899 162 Y CA 0.226 58.168 58.100 -0.263 0.000 1.720 162 Y CB -2.502 35.752 38.460 -0.344 0.000 1.107 162 Y HN 0.214 nan 8.280 nan 0.000 0.460 163 F N 1.596 121.593 119.950 0.078 0.000 2.420 163 F HA 0.474 5.001 4.527 0.000 0.000 0.342 163 F C 0.856 176.667 175.800 0.018 0.000 1.113 163 F CA -0.568 57.459 58.000 0.045 0.000 1.059 163 F CB 1.152 40.169 39.000 0.027 0.000 1.128 163 F HN -0.041 nan 8.300 nan 0.000 0.475 164 S N 0.835 116.670 115.700 0.224 0.000 2.614 164 S HA 0.128 4.598 4.470 0.000 0.000 0.265 164 S C 1.067 175.727 174.600 0.101 0.000 1.303 164 S CA -0.542 57.733 58.200 0.125 0.000 1.000 164 S CB 1.238 64.499 63.200 0.102 0.000 0.935 164 S HN 0.690 nan 8.310 nan 0.000 0.551 165 T N 1.490 116.078 114.554 0.057 0.000 2.665 165 T HA -0.170 4.180 4.350 0.000 0.000 0.268 165 T C 1.132 175.849 174.700 0.028 0.000 1.035 165 T CA 2.030 64.148 62.100 0.029 0.000 1.151 165 T CB -0.790 68.083 68.868 0.007 0.000 0.862 165 T HN 0.685 nan 8.240 nan 0.000 0.438 166 D N 1.019 121.445 120.400 0.043 0.000 2.126 166 D HA -0.107 4.533 4.640 0.000 0.000 0.190 166 D C 2.374 178.700 176.300 0.044 0.000 1.001 166 D CA 1.663 55.694 54.000 0.052 0.000 0.841 166 D CB -0.808 40.035 40.800 0.073 0.000 0.949 166 D HN 0.373 nan 8.370 nan 0.000 0.446 167 T N -0.008 114.583 114.554 0.061 0.000 2.788 167 T HA -0.103 4.247 4.350 0.000 0.000 0.268 167 T C 2.003 176.656 174.700 -0.079 0.000 1.044 167 T CA 1.605 63.721 62.100 0.026 0.000 1.139 167 T CB -0.486 68.461 68.868 0.132 0.000 0.867 167 T HN 0.160 nan 8.240 nan 0.000 0.454 168 T N 2.069 116.582 114.554 -0.067 0.000 2.708 168 T HA -0.038 4.312 4.350 0.000 0.000 0.266 168 T C 2.455 177.087 174.700 -0.113 0.000 1.037 168 T CA 1.184 63.208 62.100 -0.127 0.000 1.146 168 T CB -0.623 68.194 68.868 -0.085 0.000 0.865 168 T HN 0.449 nan 8.240 nan 0.000 0.435 169 A N 1.683 124.476 122.820 -0.046 0.000 1.873 169 A HA 0.004 4.324 4.320 0.000 0.000 0.218 169 A C 2.673 180.236 177.584 -0.034 0.000 1.193 169 A CA 2.195 54.221 52.037 -0.018 0.000 0.629 169 A CB -1.301 17.711 19.000 0.020 0.000 0.826 169 A HN 0.526 nan 8.150 nan 0.000 0.447 170 A N -1.517 121.282 122.820 -0.034 0.000 1.883 170 A HA -0.237 4.083 4.320 0.000 0.000 0.217 170 A C 2.232 179.772 177.584 -0.073 0.000 1.186 170 A CA 1.920 53.934 52.037 -0.039 0.000 0.624 170 A CB -0.523 18.458 19.000 -0.031 0.000 0.822 170 A HN 0.556 nan 8.150 nan 0.000 0.444 171 Q N -0.738 118.992 119.800 -0.116 0.000 2.123 171 Q HA -0.115 4.225 4.340 0.000 0.000 0.199 171 Q C 2.243 178.161 176.000 -0.138 0.000 0.966 171 Q CA 1.283 57.002 55.803 -0.139 0.000 0.845 171 Q CB -0.108 28.506 28.738 -0.205 0.000 0.907 171 Q HN 0.543 nan 8.270 nan 0.000 0.439 172 R N 0.272 120.659 120.500 -0.189 0.000 2.075 172 R HA -0.011 4.329 4.340 0.000 0.000 0.232 172 R C 2.219 178.456 176.300 -0.105 0.000 1.126 172 R CA 1.397 57.345 56.100 -0.254 0.000 0.963 172 R CB -0.825 29.198 30.300 -0.462 0.000 0.858 172 R HN 0.313 nan 8.270 nan 0.000 0.435 173 A N 0.566 123.359 122.820 -0.046 0.000 1.908 173 A HA -0.173 4.147 4.320 0.000 0.000 0.218 173 A C 2.106 179.688 177.584 -0.004 0.000 1.181 173 A CA 1.454 53.493 52.037 0.003 0.000 0.627 173 A CB -0.678 18.323 19.000 0.001 0.000 0.818 173 A HN 0.233 nan 8.150 nan 0.000 0.445 174 L N -0.768 120.438 121.223 -0.029 0.000 1.976 174 L HA -0.200 4.140 4.340 0.000 0.000 0.209 174 L C 2.745 179.604 176.870 -0.019 0.000 1.071 174 L CA 1.652 56.476 54.840 -0.028 0.000 0.746 174 L CB -0.769 41.262 42.059 -0.046 0.000 0.890 174 L HN 0.404 nan 8.230 nan 0.000 0.432 175 E N 0.605 120.789 120.200 -0.026 0.000 2.065 175 E HA -0.270 4.080 4.350 0.000 0.000 0.201 175 E C 2.088 178.689 176.600 0.001 0.000 1.016 175 E CA 2.143 58.534 56.400 -0.016 0.000 0.818 175 E CB -0.388 29.310 29.700 -0.003 0.000 0.749 175 E HN 0.686 nan 8.360 nan 0.000 0.453 176 I N -2.256 118.332 120.570 0.029 0.000 3.334 176 I HA 0.156 4.326 4.170 0.000 0.000 0.282 176 I C 1.160 177.307 176.117 0.050 0.000 1.313 176 I CA 0.762 62.103 61.300 0.069 0.000 1.396 176 I CB -0.507 37.585 38.000 0.153 0.000 1.054 176 I HN 0.079 nan 8.210 nan 0.000 0.495 177 G N 1.825 110.643 108.800 0.030 0.000 2.272 177 G HA2 -0.207 3.753 3.960 0.000 0.000 0.280 177 G HA3 -0.207 3.753 3.960 0.000 0.000 0.280 177 G C 0.357 175.281 174.900 0.039 0.000 1.067 177 G CA 0.122 45.238 45.100 0.026 0.000 0.902 177 G HN 0.991 nan 8.290 nan 0.000 0.500 178 A N -0.373 122.473 122.820 0.043 0.000 2.445 178 A HA 0.508 4.828 4.320 0.000 0.000 0.242 178 A C 1.322 178.932 177.584 0.043 0.000 1.075 178 A CA 0.639 52.705 52.037 0.047 0.000 0.777 178 A CB 0.380 19.405 19.000 0.042 0.000 1.013 178 A HN 0.294 nan 8.150 nan 0.000 0.493 179 D N -0.209 120.230 120.400 0.066 0.000 2.269 179 D HA 0.080 4.720 4.640 0.000 0.000 0.208 179 D C 0.301 176.629 176.300 0.048 0.000 0.963 179 D CA 1.472 55.540 54.000 0.113 0.000 0.864 179 D CB 0.306 41.260 40.800 0.256 0.000 0.936 179 D HN 0.292 nan 8.370 nan 0.000 0.505 180 V N -0.063 119.809 119.914 -0.071 0.000 3.108 180 V HA 0.159 4.279 4.120 0.000 0.000 0.287 180 V C -1.674 174.346 176.094 -0.124 0.000 1.436 180 V CA -0.827 61.371 62.300 -0.171 0.000 1.001 180 V CB 2.447 33.948 31.823 -0.537 0.000 1.141 180 V HN -0.266 nan 8.190 nan 0.000 0.443 181 V N 6.797 126.669 119.914 -0.069 0.000 2.334 181 V HA 0.422 4.542 4.120 0.000 0.000 0.267 181 V C 0.136 176.222 176.094 -0.013 0.000 1.040 181 V CA -0.383 61.907 62.300 -0.017 0.000 0.866 181 V CB 1.029 32.866 31.823 0.023 0.000 1.019 181 V HN 0.636 nan 8.190 nan 0.000 0.468 182 L N 6.076 127.300 121.223 0.003 0.000 2.342 182 L HA 0.381 4.721 4.340 0.000 0.000 0.285 182 L C 0.256 177.262 176.870 0.228 0.000 1.095 182 L CA 0.157 55.054 54.840 0.095 0.000 0.843 182 L CB 0.278 42.385 42.059 0.080 0.000 1.201 182 L HN 0.481 nan 8.230 nan 0.000 0.445 183 M N 3.657 123.400 119.600 0.238 0.000 2.094 183 M HA 0.280 4.760 4.480 0.000 0.000 0.348 183 M C 0.202 176.544 176.300 0.071 0.000 1.267 183 M CA -0.277 55.112 55.300 0.149 0.000 1.125 183 M CB 1.368 34.032 32.600 0.108 0.000 1.527 183 M HN 0.621 nan 8.290 nan 0.000 0.447 184 A N 5.611 128.387 122.820 -0.074 0.000 2.437 184 A HA 0.369 4.689 4.320 0.000 0.000 0.303 184 A C 0.305 177.758 177.584 -0.220 0.000 1.324 184 A CA -0.273 51.547 52.037 -0.362 0.000 0.983 184 A CB 0.103 18.922 19.000 -0.301 0.000 1.142 184 A HN 0.669 nan 8.150 nan 0.000 0.541 185 K N 1.224 121.491 120.400 -0.223 0.000 2.502 185 K HA 0.644 4.964 4.320 0.000 0.000 0.252 185 K C 1.151 177.671 176.600 -0.132 0.000 1.043 185 K CA -0.021 56.193 56.287 -0.121 0.000 0.999 185 K CB 1.239 33.704 32.500 -0.058 0.000 1.343 185 K HN 0.493 nan 8.250 nan 0.000 0.513 186 A N 0.284 123.063 122.820 -0.069 0.000 2.095 186 A HA 0.119 4.439 4.320 0.000 0.000 0.212 186 A C 0.553 178.128 177.584 -0.014 0.000 1.162 186 A CA 0.260 52.267 52.037 -0.049 0.000 0.753 186 A CB 0.298 19.281 19.000 -0.028 0.000 0.840 186 A HN 0.226 nan 8.150 nan 0.000 0.468 187 V N 1.522 121.443 119.914 0.013 0.000 2.432 187 V HA 0.137 4.257 4.120 0.000 0.000 0.275 187 V C 0.044 176.139 176.094 0.001 0.000 1.043 187 V CA -0.259 62.079 62.300 0.063 0.000 0.925 187 V CB 1.281 33.202 31.823 0.164 0.000 0.985 187 V HN 0.410 nan 8.190 nan 0.000 0.466 188 D N 3.857 124.249 120.400 -0.013 0.000 2.841 188 D HA 0.429 5.069 4.640 0.000 0.000 0.244 188 D C 0.550 176.826 176.300 -0.041 0.000 1.228 188 D CA 1.248 55.242 54.000 -0.009 0.000 0.872 188 D CB -0.408 40.398 40.800 0.010 0.000 1.082 188 D HN 0.849 nan 8.370 nan 0.000 0.457 189 G N -1.592 107.170 108.800 -0.064 0.000 2.350 189 G HA2 0.167 4.128 3.960 0.000 0.000 0.276 189 G HA3 0.167 4.128 3.960 0.000 0.000 0.276 189 G C -1.645 173.178 174.900 -0.128 0.000 1.313 189 G CA -0.435 44.603 45.100 -0.104 0.000 0.903 189 G HN 0.085 nan 8.290 nan 0.000 0.490 190 V N 0.689 120.511 119.914 -0.154 0.000 2.407 190 V HA 0.564 4.684 4.120 0.000 0.000 0.291 190 V C -0.552 175.462 176.094 -0.133 0.000 1.018 190 V CA -0.587 61.666 62.300 -0.080 0.000 0.842 190 V CB 1.085 32.892 31.823 -0.028 0.000 0.996 190 V HN 0.562 nan 8.190 nan 0.000 0.426 191 F N 2.822 122.768 119.950 -0.007 0.000 2.495 191 F HA 0.488 5.015 4.527 0.000 0.000 0.365 191 F C 1.141 176.935 175.800 -0.011 0.000 1.090 191 F CA -0.008 57.988 58.000 -0.007 0.000 1.235 191 F CB 0.854 39.849 39.000 -0.008 0.000 1.119 191 F HN 0.601 nan 8.300 nan 0.000 0.562 192 A N 4.897 127.805 122.820 0.148 0.000 2.484 192 A HA 0.342 4.662 4.320 0.000 0.000 0.268 192 A C 0.107 177.757 177.584 0.110 0.000 1.114 192 A CA -0.326 51.767 52.037 0.094 0.000 0.780 192 A CB -0.757 18.278 19.000 0.059 0.000 1.061 192 A HN 0.904 nan 8.150 nan 0.000 0.505 193 E N 1.488 121.732 120.200 0.073 0.000 8.353 193 E HA -0.210 4.140 4.350 0.000 0.000 0.467 193 E C -0.716 175.908 176.600 0.040 0.000 0.960 193 E CA 0.544 56.970 56.400 0.045 0.000 1.669 193 E CB -0.664 29.051 29.700 0.026 0.000 0.996 193 E HN 0.894 nan 8.360 nan 0.000 0.304 194 D N 2.566 122.960 120.400 -0.009 0.000 2.424 194 D HA 0.172 4.812 4.640 0.000 0.000 0.244 194 D C -1.908 174.322 176.300 -0.118 0.000 1.134 194 D CA -1.389 52.569 54.000 -0.072 0.000 0.881 194 D CB 0.569 41.329 40.800 -0.066 0.000 1.191 194 D HN 0.308 nan 8.370 nan 0.000 0.445 195 P HA 0.262 nan 4.420 nan 0.000 0.274 195 P C 0.532 177.721 177.300 -0.185 0.000 1.470 195 P CA -0.108 62.843 63.100 -0.247 0.000 1.001 195 P CB 0.162 31.567 31.700 -0.492 0.000 1.332 202 E N 1.003 121.313 120.200 0.183 0.000 2.207 202 E HA 0.660 5.010 4.350 0.000 0.000 0.270 202 E C -0.622 175.961 176.600 -0.028 0.000 0.927 202 E CA -0.803 55.647 56.400 0.082 0.000 0.799 202 E CB 1.182 30.901 29.700 0.032 0.000 1.172 202 E HN 0.676 nan 8.360 nan 0.000 0.404 203 L N 1.880 122.943 121.223 -0.266 0.000 2.326 203 L HA 0.332 4.672 4.340 0.000 0.000 0.278 203 L C -0.517 176.244 176.870 -0.181 0.000 1.092 203 L CA -0.753 53.846 54.840 -0.402 0.000 0.810 203 L CB -0.209 41.434 42.059 -0.693 0.000 1.153 203 L HN 0.302 nan 8.230 nan 0.000 0.439 204 L N 2.255 123.402 121.223 -0.126 0.000 2.467 204 L HA 0.212 4.552 4.340 0.000 0.000 0.270 204 L C 1.625 178.457 176.870 -0.064 0.000 1.205 204 L CA 0.634 55.434 54.840 -0.067 0.000 0.828 204 L CB 0.459 42.492 42.059 -0.042 0.000 1.101 204 L HN 1.015 nan 8.230 nan 0.000 0.479 205 T N -2.048 112.483 114.554 -0.039 0.000 3.039 205 T HA 0.473 4.823 4.350 0.000 0.000 0.250 205 T C 0.502 175.193 174.700 -0.016 0.000 1.052 205 T CA 0.452 62.536 62.100 -0.027 0.000 1.125 205 T CB 0.398 69.254 68.868 -0.019 0.000 0.908 205 T HN 0.689 nan 8.240 nan 0.000 0.473 206 A N 1.073 123.883 122.820 -0.016 0.000 2.511 206 A HA 0.634 4.954 4.320 0.000 0.000 0.292 206 A C -0.770 176.806 177.584 -0.013 0.000 1.045 206 A CA -0.719 51.311 52.037 -0.012 0.000 0.870 206 A CB 1.048 20.045 19.000 -0.004 0.000 1.361 206 A HN 0.898 nan 8.150 nan 0.000 0.396 207 V N 0.179 120.080 119.914 -0.020 0.000 3.102 207 V HA 0.976 5.096 4.120 0.000 0.000 0.312 207 V C 0.318 176.391 176.094 -0.034 0.000 1.135 207 V CA -0.250 62.040 62.300 -0.016 0.000 1.022 207 V CB 1.459 33.277 31.823 -0.009 0.000 1.056 207 V HN 1.619 nan 8.190 nan 0.000 0.436 208 S N -0.571 115.124 115.700 -0.010 0.000 2.693 208 S HA 0.441 4.911 4.470 0.000 0.000 0.276 208 S C 0.755 175.370 174.600 0.025 0.000 1.192 208 S CA 0.151 58.345 58.200 -0.011 0.000 0.994 208 S CB 0.709 63.936 63.200 0.045 0.000 1.012 208 S HN 0.842 nan 8.310 nan 0.000 0.550 209 H N 0.373 119.529 119.070 0.143 0.000 2.321 209 H HA 0.065 4.621 4.556 0.000 0.000 0.300 209 H C 2.463 177.963 175.328 0.288 0.000 1.087 209 H CA 1.776 57.978 56.048 0.258 0.000 1.319 209 H CB 0.039 29.823 29.762 0.036 0.000 1.379 209 H HN 0.340 nan 8.280 nan 0.000 0.501 210 R N 1.033 121.697 120.500 0.274 0.000 2.081 210 R HA -0.131 4.209 4.340 0.000 0.000 0.235 210 R C 2.032 178.417 176.300 0.141 0.000 1.131 210 R CA 1.378 57.590 56.100 0.188 0.000 0.960 210 R CB -0.288 30.084 30.300 0.119 0.000 0.856 210 R HN 0.550 nan 8.270 nan 0.000 0.436 211 E N -0.255 120.010 120.200 0.109 0.000 2.097 211 E HA -0.167 4.183 4.350 0.000 0.000 0.196 211 E C 2.004 178.633 176.600 0.048 0.000 1.000 211 E CA 1.588 58.026 56.400 0.064 0.000 0.804 211 E CB -0.037 29.689 29.700 0.044 0.000 0.740 211 E HN 0.059 nan 8.360 nan 0.000 0.454 212 V N 0.945 120.897 119.914 0.063 0.000 2.295 212 V HA -0.254 3.866 4.120 0.000 0.000 0.246 212 V C 2.233 178.271 176.094 -0.094 0.000 1.049 212 V CA 1.473 63.749 62.300 -0.039 0.000 1.024 212 V CB -0.428 31.330 31.823 -0.109 0.000 0.648 212 V HN 0.207 nan 8.190 nan 0.000 0.447 213 L N 0.110 121.330 121.223 -0.005 0.000 1.973 213 L HA -0.026 4.314 4.340 0.000 0.000 0.208 213 L C 1.291 178.175 176.870 0.023 0.000 1.073 213 L CA 1.767 56.615 54.840 0.014 0.000 0.746 213 L CB -0.651 41.515 42.059 0.178 0.000 0.891 213 L HN 0.267 nan 8.230 nan 0.000 0.433 214 D N 1.880 122.312 120.400 0.053 0.000 2.479 214 D HA 0.183 4.823 4.640 0.000 0.000 0.253 214 D C 0.020 176.333 176.300 0.021 0.000 1.278 214 D CA 1.008 55.032 54.000 0.040 0.000 1.145 214 D CB -0.576 40.253 40.800 0.049 0.000 1.118 214 D HN 0.370 nan 8.370 nan 0.000 0.513 215 R N 1.424 121.931 120.500 0.010 0.000 2.127 215 R HA 0.039 4.379 4.340 0.000 0.000 0.352 215 R C 0.545 176.844 176.300 -0.002 0.000 1.151 215 R CA 0.834 56.937 56.100 0.004 0.000 0.994 215 R CB -2.460 27.845 30.300 0.009 0.000 2.901 215 R HN 0.758 nan 8.270 nan 0.000 0.493 216 G N 1.345 110.137 108.800 -0.014 0.000 5.528 216 G HA2 0.521 4.481 3.960 0.000 0.000 0.194 216 G HA3 0.521 4.481 3.960 0.000 0.000 0.194 216 G C -0.333 174.542 174.900 -0.042 0.000 0.679 216 G CA 0.014 45.100 45.100 -0.023 0.000 0.640 216 G HN 0.698 nan 8.290 nan 0.000 0.397 217 L N 0.296 121.480 121.223 -0.065 0.000 2.567 217 L HA 0.764 5.104 4.340 0.000 0.000 0.238 217 L C 0.194 176.988 176.870 -0.126 0.000 1.168 217 L CA -0.674 54.122 54.840 -0.074 0.000 0.817 217 L CB 0.883 42.904 42.059 -0.064 0.000 1.409 217 L HN 0.350 nan 8.230 nan 0.000 0.502 218 R N -0.219 120.215 120.500 -0.109 0.000 2.713 218 R HA 0.369 4.709 4.340 0.000 0.000 0.282 218 R C 0.089 176.333 176.300 -0.094 0.000 1.472 218 R CA -0.340 55.690 56.100 -0.116 0.000 1.060 218 R CB 1.049 31.315 30.300 -0.057 0.000 1.237 218 R HN 0.274 nan 8.270 nan 0.000 0.484 219 V N 0.306 120.128 119.914 -0.153 0.000 2.581 219 V HA 0.353 4.473 4.120 0.000 0.000 0.240 219 V C 0.798 176.894 176.094 0.004 0.000 1.054 219 V CA 1.546 63.811 62.300 -0.058 0.000 1.076 219 V CB 0.433 32.233 31.823 -0.037 0.000 0.748 219 V HN 0.775 nan 8.190 nan 0.000 0.474 220 A N -0.532 122.288 122.820 -0.000 0.000 2.583 220 A HA 0.575 4.895 4.320 0.000 0.000 0.289 220 A C -1.330 176.286 177.584 0.053 0.000 1.151 220 A CA -0.405 51.671 52.037 0.065 0.000 0.695 220 A CB 0.916 20.008 19.000 0.153 0.000 1.290 220 A HN 0.206 nan 8.150 nan 0.000 0.419 221 D N 0.598 121.042 120.400 0.074 0.000 2.629 221 D HA 0.196 4.836 4.640 0.000 0.000 0.228 221 D C 1.375 177.749 176.300 0.124 0.000 1.127 221 D CA 1.035 55.084 54.000 0.083 0.000 0.855 221 D CB 0.850 41.705 40.800 0.092 0.000 1.180 221 D HN 0.781 nan 8.370 nan 0.000 0.484 222 A N 3.380 126.262 122.820 0.103 0.000 1.940 222 A HA -0.188 4.132 4.320 0.000 0.000 0.219 222 A C 2.175 179.868 177.584 0.182 0.000 1.176 222 A CA 2.114 54.235 52.037 0.140 0.000 0.631 222 A CB -0.733 18.320 19.000 0.089 0.000 0.814 222 A HN 0.714 nan 8.150 nan 0.000 0.446 223 T N 0.314 114.956 114.554 0.145 0.000 2.708 223 T HA -0.011 4.339 4.350 0.000 0.000 0.266 223 T C 2.254 177.044 174.700 0.150 0.000 1.037 223 T CA 1.619 63.809 62.100 0.150 0.000 1.146 223 T CB -0.512 68.459 68.868 0.173 0.000 0.865 223 T HN 0.610 nan 8.240 nan 0.000 0.435 224 A N 1.003 123.917 122.820 0.157 0.000 1.902 224 A HA -0.048 4.272 4.320 0.000 0.000 0.217 224 A C 2.026 179.693 177.584 0.140 0.000 1.181 224 A CA 1.367 53.480 52.037 0.127 0.000 0.623 224 A CB -1.004 18.071 19.000 0.126 0.000 0.818 224 A HN 0.463 nan 8.150 nan 0.000 0.443 225 F N 1.042 121.021 119.950 0.049 0.000 2.171 225 F HA -0.115 4.412 4.527 0.000 0.000 0.300 225 F C 2.600 178.416 175.800 0.026 0.000 1.090 225 F CA 1.571 59.604 58.000 0.055 0.000 1.293 225 F CB -0.308 38.733 39.000 0.069 0.000 1.013 225 F HN 0.195 nan 8.300 nan 0.000 0.486 226 S N 0.744 116.479 115.700 0.058 0.000 2.356 226 S HA -0.194 4.276 4.470 0.000 0.000 0.223 226 S C 2.194 176.717 174.600 -0.128 0.000 1.032 226 S CA 1.359 59.535 58.200 -0.040 0.000 1.005 226 S CB -0.669 62.557 63.200 0.044 0.000 0.867 226 S HN 0.431 nan 8.310 nan 0.000 0.449 227 L N 0.707 121.883 121.223 -0.078 0.000 1.989 227 L HA -0.225 4.115 4.340 0.000 0.000 0.211 227 L C 2.483 179.254 176.870 -0.164 0.000 1.071 227 L CA 1.503 56.286 54.840 -0.094 0.000 0.749 227 L CB -0.485 41.537 42.059 -0.062 0.000 0.890 227 L HN 0.434 nan 8.230 nan 0.000 0.431 228 C N -0.739 118.437 119.300 -0.206 0.000 2.413 228 C HA -0.261 4.199 4.460 0.000 0.000 0.276 228 C C 2.765 177.450 174.990 -0.508 0.000 1.236 228 C CA 1.343 60.194 59.018 -0.279 0.000 1.735 228 C CB -0.601 27.005 27.740 -0.224 0.000 2.031 228 C HN 0.589 nan 8.230 nan 0.000 0.474 229 M N 0.704 119.893 119.600 -0.684 0.000 2.132 229 M HA -0.122 4.358 4.480 0.000 0.000 0.263 229 M C 1.466 177.500 176.300 -0.443 0.000 1.065 229 M CA 1.837 56.645 55.300 -0.820 0.000 1.122 229 M CB -0.310 31.866 32.600 -0.707 0.000 1.365 229 M HN 0.232 nan 8.290 nan 0.000 0.411 230 D N 0.251 120.482 120.400 -0.281 0.000 2.264 230 D HA -0.078 4.562 4.640 0.000 0.000 0.208 230 D C 1.060 177.270 176.300 -0.149 0.000 0.966 230 D CA 0.921 54.820 54.000 -0.167 0.000 0.864 230 D CB -0.227 40.507 40.800 -0.109 0.000 0.933 230 D HN 0.470 nan 8.370 nan 0.000 0.499 231 N N -0.564 118.030 118.700 -0.177 0.000 2.205 231 N HA 0.099 4.839 4.740 0.000 0.000 0.201 231 N C 0.735 176.167 175.510 -0.129 0.000 1.128 231 N CA 0.437 53.411 53.050 -0.127 0.000 0.867 231 N CB 1.400 39.825 38.487 -0.103 0.000 0.996 231 N HN 0.069 nan 8.380 nan 0.000 0.503 232 G N 2.258 110.934 108.800 -0.208 0.000 2.295 232 G HA2 -0.292 3.668 3.960 0.000 0.000 0.287 232 G HA3 -0.292 3.668 3.960 0.000 0.000 0.287 232 G C -0.034 174.832 174.900 -0.057 0.000 1.055 232 G CA 0.299 45.306 45.100 -0.155 0.000 0.922 232 G HN 0.234 nan 8.290 nan 0.000 0.503 233 M N 1.122 120.663 119.600 -0.099 0.000 2.105 233 M HA 0.548 5.028 4.480 0.000 0.000 0.350 233 M C -2.147 174.234 176.300 0.135 0.000 1.308 233 M CA -3.019 52.282 55.300 0.003 0.000 1.108 233 M CB 0.763 33.343 32.600 -0.033 0.000 1.622 233 M HN -0.028 nan 8.290 nan 0.000 0.468 234 P HA 0.202 nan 4.420 nan 0.000 0.268 234 P C -1.010 176.328 177.300 0.064 0.000 1.204 234 P CA 0.334 63.502 63.100 0.113 0.000 0.768 234 P CB 0.255 32.003 31.700 0.080 0.000 0.842 235 I N 3.315 123.927 120.570 0.069 0.000 2.493 235 I HA 0.380 4.550 4.170 0.000 0.000 0.298 235 I C -0.395 175.737 176.117 0.025 0.000 0.998 235 I CA -0.901 60.439 61.300 0.067 0.000 1.137 235 I CB 1.649 39.741 38.000 0.153 0.000 1.310 235 I HN 0.111 nan 8.210 nan 0.000 0.445 236 L N 7.869 129.103 121.223 0.017 0.000 2.377 236 L HA 0.496 4.836 4.340 0.000 0.000 0.270 236 L C -0.860 176.089 176.870 0.132 0.000 0.991 236 L CA -0.640 54.209 54.840 0.016 0.000 0.851 236 L CB 1.378 43.373 42.059 -0.107 0.000 1.218 236 L HN 0.254 nan 8.230 nan 0.000 0.420 237 V N 6.952 126.946 119.914 0.133 0.000 2.461 237 V HA 0.560 4.680 4.120 0.000 0.000 0.275 237 V C -0.027 176.223 176.094 0.261 0.000 1.047 237 V CA -0.155 62.247 62.300 0.170 0.000 0.955 237 V CB 0.429 32.299 31.823 0.079 0.000 0.988 237 V HN 0.711 nan 8.190 nan 0.000 0.471 238 F N 2.528 122.469 119.950 -0.014 0.000 2.693 238 F HA 0.544 5.071 4.527 0.000 0.000 0.309 238 F C -0.886 174.910 175.800 -0.006 0.000 1.129 238 F CA -1.157 56.833 58.000 -0.015 0.000 0.948 238 F CB 1.790 40.783 39.000 -0.012 0.000 1.315 238 F HN 0.319 nan 8.300 nan 0.000 0.447 239 N N 2.661 121.217 118.700 -0.240 0.000 2.408 239 N HA 0.147 4.887 4.740 0.000 0.000 0.257 239 N C 0.181 175.410 175.510 -0.468 0.000 1.064 239 N CA -0.181 52.664 53.050 -0.341 0.000 0.952 239 N CB 1.672 40.096 38.487 -0.106 0.000 1.093 239 N HN 0.999 nan 8.380 nan 0.000 0.490 240 L N 4.881 125.714 121.223 -0.649 0.000 2.240 240 L HA 0.121 4.461 4.340 0.000 0.000 0.211 240 L C 1.640 178.471 176.870 -0.066 0.000 1.106 240 L CA 0.966 55.612 54.840 -0.323 0.000 0.793 240 L CB 0.112 41.995 42.059 -0.293 0.000 0.927 240 L HN 0.600 nan 8.230 nan 0.000 0.446 241 L N -0.790 120.378 121.223 -0.091 0.000 2.395 241 L HA 0.009 4.349 4.340 0.000 0.000 0.218 241 L C 0.614 177.474 176.870 -0.016 0.000 1.130 241 L CA 0.020 54.833 54.840 -0.045 0.000 0.826 241 L CB -0.772 41.253 42.059 -0.058 0.000 0.941 241 L HN 0.086 nan 8.230 nan 0.000 0.451 242 T N 1.123 115.675 114.554 -0.004 0.000 2.759 242 T HA -0.045 4.305 4.350 0.000 0.000 0.273 242 T C 0.104 174.830 174.700 0.043 0.000 0.938 242 T CA 0.036 62.149 62.100 0.023 0.000 1.197 242 T CB -0.224 68.669 68.868 0.041 0.000 0.887 242 T HN 0.108 nan 8.240 nan 0.000 0.540 243 D N 2.340 122.756 120.400 0.028 0.000 2.583 243 D HA 0.255 4.895 4.640 0.000 0.000 0.232 243 D C 1.410 177.737 176.300 0.044 0.000 1.128 243 D CA 1.948 55.967 54.000 0.031 0.000 0.859 243 D CB 0.052 40.863 40.800 0.017 0.000 1.169 243 D HN 0.735 nan 8.370 nan 0.000 0.481 244 G N 3.206 112.038 108.800 0.053 0.000 2.217 244 G HA2 -0.391 3.569 3.960 0.000 0.000 0.246 244 G HA3 -0.391 3.569 3.960 0.000 0.000 0.246 244 G C 1.390 176.331 174.900 0.068 0.000 0.990 244 G CA 0.477 45.608 45.100 0.052 0.000 0.627 244 G HN 0.547 nan 8.290 nan 0.000 0.522 245 N N 0.382 119.150 118.700 0.113 0.000 2.018 245 N HA -0.037 4.703 4.740 0.000 0.000 0.196 245 N C 2.185 177.740 175.510 0.075 0.000 1.043 245 N CA 1.776 54.918 53.050 0.153 0.000 0.856 245 N CB -0.359 38.336 38.487 0.346 0.000 1.042 245 N HN 0.631 nan 8.380 nan 0.000 0.423 246 I N 0.371 121.024 120.570 0.139 0.000 2.208 246 I HA -0.254 3.916 4.170 0.000 0.000 0.245 246 I C 1.849 177.943 176.117 -0.038 0.000 1.097 246 I CA 1.420 62.713 61.300 -0.011 0.000 1.363 246 I CB -0.193 37.896 38.000 0.149 0.000 1.051 246 I HN 0.154 nan 8.210 nan 0.000 0.413 247 A N 0.536 123.365 122.820 0.015 0.000 1.972 247 A HA -0.220 4.100 4.320 0.000 0.000 0.219 247 A C 2.336 179.920 177.584 -0.000 0.000 1.169 247 A CA 1.727 53.771 52.037 0.012 0.000 0.635 247 A CB -0.577 18.436 19.000 0.022 0.000 0.810 247 A HN 0.473 nan 8.150 nan 0.000 0.446 248 R N -0.661 119.835 120.500 -0.007 0.000 2.055 248 R HA 0.076 4.416 4.340 0.000 0.000 0.226 248 R C 2.594 178.878 176.300 -0.027 0.000 1.135 248 R CA 1.072 57.165 56.100 -0.011 0.000 0.959 248 R CB -0.569 29.729 30.300 -0.003 0.000 0.854 248 R HN 0.451 nan 8.270 nan 0.000 0.431 249 A N 1.176 123.945 122.820 -0.084 0.000 1.896 249 A HA -0.228 4.092 4.320 0.000 0.000 0.220 249 A C 2.332 179.925 177.584 0.015 0.000 1.206 249 A CA 2.465 54.424 52.037 -0.129 0.000 0.647 249 A CB -1.080 17.662 19.000 -0.429 0.000 0.828 249 A HN 0.289 nan 8.150 nan 0.000 0.455 250 V N -2.905 117.018 119.914 0.015 0.000 2.970 250 V HA -0.061 4.059 4.120 0.000 0.000 0.260 250 V C 1.955 178.120 176.094 0.118 0.000 1.100 250 V CA 1.744 64.132 62.300 0.146 0.000 1.122 250 V CB -0.935 30.933 31.823 0.074 0.000 0.721 250 V HN 0.495 nan 8.190 nan 0.000 0.483 251 R N 1.394 121.916 120.500 0.037 0.000 2.307 251 R HA 0.284 4.624 4.340 0.000 0.000 0.199 251 R C 1.490 177.759 176.300 -0.052 0.000 1.000 251 R CA 0.642 56.736 56.100 -0.008 0.000 1.023 251 R CB -0.237 30.057 30.300 -0.010 0.000 0.908 251 R HN 0.761 nan 8.270 nan 0.000 0.473 252 G N 1.753 110.533 108.800 -0.034 0.000 2.303 252 G HA2 -0.273 3.687 3.960 0.000 0.000 0.260 252 G HA3 -0.273 3.687 3.960 0.000 0.000 0.260 252 G C -0.094 174.781 174.900 -0.043 0.000 1.106 252 G CA -0.017 45.025 45.100 -0.097 0.000 0.900 252 G HN 0.450 nan 8.290 nan 0.000 0.495 253 E N 0.351 120.546 120.200 -0.009 0.000 2.723 253 E HA 0.469 4.819 4.350 0.000 0.000 0.219 253 E C 1.186 177.782 176.600 -0.007 0.000 1.060 253 E CA 0.411 56.804 56.400 -0.013 0.000 1.291 253 E CB -0.520 29.173 29.700 -0.011 0.000 1.265 253 E HN 1.292 nan 8.360 nan 0.000 0.438 254 K N 0.489 120.888 120.400 -0.001 0.000 4.040 254 K HA -0.181 4.139 4.320 0.000 0.000 0.279 254 K C -0.453 176.145 176.600 -0.002 0.000 0.890 254 K CA 1.548 57.835 56.287 -0.000 0.000 0.782 254 K CB -2.669 29.828 32.500 -0.005 0.000 1.613 254 K HN 0.487 nan 8.250 nan 0.000 0.440 255 I N -3.475 117.092 120.570 -0.005 0.000 2.647 255 I HA 0.883 5.053 4.170 0.000 0.000 0.295 255 I C 0.934 177.061 176.117 0.018 0.000 1.078 255 I CA 0.310 61.614 61.300 0.006 0.000 1.048 255 I CB 2.177 40.183 38.000 0.010 0.000 1.239 255 I HN 1.635 nan 8.210 nan 0.000 0.421 256 G N 4.009 112.836 108.800 0.045 0.000 2.562 256 G HA2 -0.104 3.856 3.960 0.000 0.000 0.250 256 G HA3 -0.104 3.856 3.960 0.000 0.000 0.250 256 G C -0.274 174.634 174.900 0.012 0.000 1.269 256 G CA -0.112 45.026 45.100 0.064 0.000 0.919 256 G HN 1.020 nan 8.290 nan 0.000 0.574 257 T N 0.795 115.361 114.554 0.020 0.000 2.847 257 T HA 0.509 4.859 4.350 0.000 0.000 0.291 257 T C -0.447 174.258 174.700 0.008 0.000 0.998 257 T CA -0.280 61.818 62.100 -0.004 0.000 0.967 257 T CB 1.577 70.430 68.868 -0.025 0.000 0.954 257 T HN 0.920 nan 8.240 nan 0.000 0.441 258 L N 5.891 127.115 121.223 0.002 0.000 2.261 258 L HA 0.545 4.885 4.340 0.000 0.000 0.289 258 L C -0.515 176.342 176.870 -0.022 0.000 1.059 258 L CA -0.258 54.585 54.840 0.005 0.000 0.816 258 L CB 0.461 42.539 42.059 0.031 0.000 1.191 258 L HN 0.409 nan 8.230 nan 0.000 0.431 259 V N 4.983 124.870 119.914 -0.046 0.000 2.567 259 V HA 0.685 4.805 4.120 0.000 0.000 0.289 259 V C 0.473 176.414 176.094 -0.255 0.000 1.049 259 V CA -0.207 62.003 62.300 -0.149 0.000 0.969 259 V CB 1.335 33.087 31.823 -0.118 0.000 0.995 259 V HN 0.920 nan 8.190 nan 0.000 0.471 260 T N 2.389 116.736 114.554 -0.346 0.000 2.711 260 T HA 0.637 4.987 4.350 0.000 0.000 0.302 260 T C -0.798 173.881 174.700 -0.036 0.000 1.373 260 T CA -0.097 61.918 62.100 -0.142 0.000 1.000 260 T CB 2.229 71.084 68.868 -0.021 0.000 1.483 260 T HN 0.806 nan 8.240 nan 0.000 0.499 261 T N 0.000 114.627 114.554 0.122 0.000 3.816 261 T HA 0.000 4.350 4.350 0.000 0.000 0.228 261 T CA 0.000 62.187 62.100 0.145 0.000 1.349 261 T CB 0.000 69.022 68.868 0.256 0.000 0.612 261 T HN 0.000 nan 8.240 nan 0.000 0.658