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 3kqx_1_I DATA FIRST_RESID 86 DATA SEQUENCE SEVPQVVSLD PTSIPIEYNT PIHDIKVQVY DIKGGCNVEE GLTIFLVNNP DATA SEQUENCE GKENGPVKIS SKVNDKQVSE FLKDENMEKF NVKLGTSKHF YMFNDNKNSV DATA SEQUENCE AVGYVGCGSV ADLSEADMKR VVLSLVTMLH DNKLSKLTVV FEINVDKNLF DATA SEQUENCE RFFLETLFYE YMTDERFKST DKNXXXEYIK HLGVYINNAD TYKEEVEKAR DATA SEQUENCE VYYFGTYYAS QLIAAPSNYC NPVSLSNAAV ELAQKLNLEY KILGVKELEE DATA SEQUENCE LKMGAYLSVG KGSMYPNKFI HLTYKSKGDV KKKIALVGKG ITFDSGGYNL DATA SEQUENCE KAAPGSMIDL MKFDMSGCAA VLGCAYCVGT LKPENVEIHF LSAVCENMVS DATA SEQUENCE KNSYRPGDII TASNGKTIEV GNTDAEGRLT LADALVYAEK LGVDYIVDIA DATA SEQUENCE TLTGAMLYSL GTSYAGVFGN NEELINKILQ SSKTSNEPVW WLPIINEYRA DATA SEQUENCE TLNSKYADIN QISSSVKASS IVASLFLKEF VQNTAWAHID IAGVSWNFKA DATA SEQUENCE RKPKGFGVRL LTEFVLND 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 86 S HA 0.000 nan 4.470 nan 0.000 0.327 86 S C 0.000 174.635 174.600 0.059 0.000 1.055 86 S CA 0.000 58.239 58.200 0.065 0.000 1.107 86 S CB 0.000 63.238 63.200 0.063 0.000 0.593 87 E N 2.055 122.288 120.200 0.055 0.000 2.344 87 E HA 0.513 4.863 4.350 -0.000 0.000 0.270 87 E C -0.372 176.268 176.600 0.067 0.000 1.021 87 E CA -0.105 56.326 56.400 0.052 0.000 0.887 87 E CB 0.390 30.115 29.700 0.042 0.000 0.997 87 E HN 0.320 nan 8.360 nan 0.000 0.429 88 V N 6.210 126.166 119.914 0.069 0.000 2.427 88 V HA 0.283 4.403 4.120 -0.000 0.000 0.268 88 V C -1.652 174.507 176.094 0.109 0.000 1.046 88 V CA -1.208 61.155 62.300 0.105 0.000 0.970 88 V CB 0.896 32.767 31.823 0.079 0.000 1.001 88 V HN 0.833 nan 8.190 nan 0.000 0.476 89 P HA 0.241 nan 4.420 nan 0.000 0.271 89 P C -0.938 176.396 177.300 0.057 0.000 1.218 89 P CA -0.313 62.818 63.100 0.052 0.000 0.780 89 P CB 0.819 32.504 31.700 -0.025 0.000 0.901 90 Q N 0.526 120.330 119.800 0.007 0.000 2.394 90 Q HA 0.333 4.673 4.340 -0.000 0.000 0.273 90 Q C 0.665 176.644 176.000 -0.035 0.000 1.089 90 Q CA -0.998 54.803 55.803 -0.003 0.000 0.812 90 Q CB 2.300 31.037 28.738 -0.003 0.000 1.353 90 Q HN 0.066 nan 8.270 nan 0.000 0.438 91 V N 0.434 120.323 119.914 -0.042 0.000 2.599 91 V HA 0.015 4.134 4.120 -0.000 0.000 0.245 91 V C 0.639 176.712 176.094 -0.035 0.000 1.046 91 V CA 0.658 62.929 62.300 -0.049 0.000 1.065 91 V CB 0.501 32.291 31.823 -0.056 0.000 0.703 91 V HN 0.644 nan 8.190 nan 0.000 0.464 92 V N -2.417 117.479 119.914 -0.030 0.000 3.001 92 V HA 0.573 4.693 4.120 -0.000 0.000 0.314 92 V C 1.099 177.180 176.094 -0.022 0.000 1.099 92 V CA 0.085 62.371 62.300 -0.024 0.000 0.989 92 V CB 1.460 33.269 31.823 -0.024 0.000 1.040 92 V HN 0.211 nan 8.190 nan 0.000 0.434 93 S N 1.403 117.094 115.700 -0.016 0.000 2.507 93 S HA -0.009 4.461 4.470 -0.000 0.000 0.235 93 S C 1.284 175.874 174.600 -0.017 0.000 0.988 93 S CA 1.229 59.421 58.200 -0.013 0.000 0.944 93 S CB -0.790 62.405 63.200 -0.008 0.000 0.762 93 S HN 0.744 nan 8.310 nan 0.000 0.526 94 L N 0.865 122.075 121.223 -0.021 0.000 2.599 94 L HA 0.201 4.541 4.340 -0.000 0.000 0.230 94 L C 0.075 176.913 176.870 -0.053 0.000 1.141 94 L CA 0.024 54.849 54.840 -0.025 0.000 0.877 94 L CB -0.468 41.581 42.059 -0.017 0.000 1.009 94 L HN 0.178 nan 8.230 nan 0.000 0.447 95 D N 1.599 121.964 120.400 -0.059 0.000 2.390 95 D HA 0.171 4.811 4.640 -0.000 0.000 0.249 95 D C -2.070 174.152 176.300 -0.130 0.000 1.144 95 D CA -1.257 52.684 54.000 -0.097 0.000 0.880 95 D CB 1.009 41.778 40.800 -0.052 0.000 1.182 95 D HN -0.090 nan 8.370 nan 0.000 0.451 96 P HA 0.035 nan 4.420 nan 0.000 0.269 96 P C 0.642 177.863 177.300 -0.133 0.000 1.209 96 P CA 0.000 62.930 63.100 -0.284 0.000 0.776 96 P CB 0.463 31.712 31.700 -0.753 0.000 0.876 97 T N -2.881 111.643 114.554 -0.050 0.000 3.084 97 T HA 0.323 4.673 4.350 -0.000 0.000 0.270 97 T C 0.328 175.040 174.700 0.021 0.000 1.008 97 T CA -0.147 61.951 62.100 -0.004 0.000 0.900 97 T CB -0.365 68.510 68.868 0.012 0.000 1.084 97 T HN 0.513 nan 8.240 nan 0.000 0.538 98 S N 0.324 116.050 115.700 0.043 0.000 2.588 98 S HA 0.681 5.151 4.470 -0.000 0.000 0.269 98 S C -1.125 173.567 174.600 0.154 0.000 1.157 98 S CA -1.190 57.055 58.200 0.075 0.000 0.824 98 S CB 0.775 64.016 63.200 0.069 0.000 1.126 98 S HN 0.268 nan 8.310 nan 0.000 0.464 99 I N 2.788 123.430 120.570 0.120 0.000 2.416 99 I HA 0.340 4.510 4.170 -0.000 0.000 0.288 99 I C -2.010 174.139 176.117 0.053 0.000 1.051 99 I CA -1.913 59.468 61.300 0.135 0.000 1.375 99 I CB 0.922 38.950 38.000 0.046 0.000 1.407 99 I HN 0.497 nan 8.210 nan 0.000 0.516 100 P HA 0.349 nan 4.420 nan 0.000 0.276 100 P C -0.759 176.429 177.300 -0.187 0.000 1.230 100 P CA 0.008 63.040 63.100 -0.114 0.000 0.776 100 P CB 1.175 32.729 31.700 -0.244 0.000 0.888 101 I N 1.617 122.079 120.570 -0.179 0.000 2.499 101 I HA 0.241 4.411 4.170 -0.000 0.000 0.288 101 I C 0.323 176.263 176.117 -0.294 0.000 1.048 101 I CA -0.698 60.422 61.300 -0.299 0.000 1.062 101 I CB 2.484 40.245 38.000 -0.398 0.000 1.238 101 I HN 0.307 nan 8.210 nan 0.000 0.426 102 E N 5.264 125.340 120.200 -0.207 0.000 2.130 102 E HA 0.254 4.604 4.350 -0.000 0.000 0.284 102 E C -0.709 175.898 176.600 0.013 0.000 1.018 102 E CA -0.073 56.298 56.400 -0.049 0.000 0.817 102 E CB 0.866 30.602 29.700 0.060 0.000 1.078 102 E HN 0.515 nan 8.360 nan 0.000 0.396 103 Y N 2.632 122.980 120.300 0.080 0.000 2.382 103 Y HA 0.104 4.654 4.550 -0.000 0.000 0.292 103 Y C 0.485 176.160 175.900 -0.374 0.000 1.151 103 Y CA -0.141 57.875 58.100 -0.140 0.000 1.198 103 Y CB 0.300 38.640 38.460 -0.200 0.000 1.195 103 Y HN 0.438 nan 8.280 nan 0.000 0.530 104 N N 1.361 120.024 118.700 -0.062 0.000 2.448 104 N HA 0.133 4.873 4.740 -0.000 0.000 0.250 104 N C -0.365 175.149 175.510 0.008 0.000 1.136 104 N CA -0.142 52.830 53.050 -0.130 0.000 0.953 104 N CB 0.562 38.989 38.487 -0.099 0.000 1.251 104 N HN 0.166 nan 8.380 nan 0.000 0.502 105 T N -1.055 113.600 114.554 0.168 0.000 2.881 105 T HA 0.351 4.701 4.350 -0.000 0.000 0.278 105 T C -1.775 172.850 174.700 -0.124 0.000 0.982 105 T CA -2.058 60.072 62.100 0.051 0.000 0.989 105 T CB 1.628 70.561 68.868 0.109 0.000 1.058 105 T HN 0.048 nan 8.240 nan 0.000 0.529 106 P HA 0.047 nan 4.420 nan 0.000 0.223 106 P C 1.550 178.528 177.300 -0.535 0.000 1.151 106 P CA 0.289 63.081 63.100 -0.513 0.000 0.787 106 P CB -0.114 31.015 31.700 -0.952 0.000 0.788 107 I N -0.701 119.494 120.570 -0.624 0.000 2.286 107 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 107 I C 1.909 177.634 176.117 -0.653 0.000 1.115 107 I CA 1.711 62.563 61.300 -0.747 0.000 1.392 107 I CB -1.853 35.466 38.000 -1.134 0.000 1.065 107 I HN 0.146 nan 8.210 nan 0.000 0.418 108 H N 0.550 119.436 119.070 -0.306 0.000 2.489 108 H HA -0.105 4.451 4.556 -0.000 0.000 0.293 108 H C 1.295 176.498 175.328 -0.209 0.000 1.066 108 H CA 1.163 57.078 56.048 -0.222 0.000 1.305 108 H CB -0.029 29.637 29.762 -0.160 0.000 1.386 108 H HN 0.298 nan 8.280 nan 0.000 0.551 109 D N 0.002 120.308 120.400 -0.156 0.000 2.339 109 D HA 0.065 4.704 4.640 -0.000 0.000 0.217 109 D C 0.183 176.379 176.300 -0.174 0.000 1.050 109 D CA 0.147 54.066 54.000 -0.135 0.000 0.856 109 D CB 0.287 41.013 40.800 -0.125 0.000 0.922 109 D HN 0.349 nan 8.370 nan 0.000 0.518 110 I N 1.599 122.038 120.570 -0.218 0.000 2.505 110 I HA -0.047 4.123 4.170 -0.000 0.000 0.287 110 I C 0.458 176.480 176.117 -0.157 0.000 1.104 110 I CA -0.073 61.111 61.300 -0.194 0.000 1.387 110 I CB 0.389 38.277 38.000 -0.186 0.000 1.404 110 I HN -0.430 nan 8.210 nan 0.000 0.528 111 K N 5.561 125.856 120.400 -0.175 0.000 2.312 111 K HA 0.351 4.671 4.320 -0.000 0.000 0.287 111 K C -0.303 176.302 176.600 0.009 0.000 1.062 111 K CA -0.490 55.751 56.287 -0.077 0.000 0.934 111 K CB 1.242 33.711 32.500 -0.052 0.000 1.027 111 K HN 0.401 nan 8.250 nan 0.000 0.478 112 V N 3.673 123.598 119.914 0.019 0.000 2.459 112 V HA 0.395 4.515 4.120 -0.000 0.000 0.295 112 V C -0.118 175.960 176.094 -0.026 0.000 1.029 112 V CA -0.753 61.570 62.300 0.039 0.000 0.874 112 V CB 1.595 33.474 31.823 0.092 0.000 0.985 112 V HN 0.790 nan 8.190 nan 0.000 0.438 113 Q N 2.835 122.565 119.800 -0.118 0.000 2.323 113 Q HA 0.628 4.968 4.340 -0.000 0.000 0.271 113 Q C -1.457 174.214 176.000 -0.550 0.000 1.048 113 Q CA -0.670 54.917 55.803 -0.360 0.000 0.792 113 Q CB 2.951 31.413 28.738 -0.460 0.000 1.280 113 Q HN 0.594 nan 8.270 nan 0.000 0.441 114 V N 3.054 122.684 119.914 -0.473 0.000 2.427 114 V HA 0.451 4.571 4.120 -0.000 0.000 0.286 114 V C -0.935 174.819 176.094 -0.566 0.000 1.034 114 V CA -0.579 61.475 62.300 -0.410 0.000 0.893 114 V CB 0.355 32.082 31.823 -0.160 0.000 0.982 114 V HN 0.624 nan 8.190 nan 0.000 0.452 115 Y N 1.131 121.270 120.300 -0.268 0.000 2.485 115 Y HA 0.418 4.968 4.550 -0.000 0.000 0.345 115 Y C 0.322 176.128 175.900 -0.156 0.000 0.998 115 Y CA -0.986 56.932 58.100 -0.304 0.000 1.059 115 Y CB 1.452 39.505 38.460 -0.679 0.000 1.234 115 Y HN 0.535 nan 8.280 nan 0.000 0.461 116 D N 2.261 122.739 120.400 0.130 0.000 2.351 116 D HA 0.050 4.690 4.640 -0.000 0.000 0.251 116 D C 0.841 177.280 176.300 0.231 0.000 1.137 116 D CA 0.330 54.407 54.000 0.128 0.000 0.879 116 D CB 1.243 42.098 40.800 0.092 0.000 1.181 116 D HN 0.742 nan 8.370 nan 0.000 0.448 117 I N 3.495 124.199 120.570 0.224 0.000 2.361 117 I HA -0.324 3.846 4.170 -0.000 0.000 0.251 117 I C 2.627 178.844 176.117 0.168 0.000 1.133 117 I CA 1.240 62.693 61.300 0.256 0.000 1.413 117 I CB 0.085 38.197 38.000 0.187 0.000 1.073 117 I HN 0.363 nan 8.210 nan 0.000 0.424 118 K N 0.379 120.852 120.400 0.121 0.000 2.218 118 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 118 K C 1.721 178.370 176.600 0.081 0.000 1.046 118 K CA 1.299 57.636 56.287 0.084 0.000 0.933 118 K CB -2.104 30.435 32.500 0.065 0.000 0.728 118 K HN 0.590 nan 8.250 nan 0.000 0.454 119 G N -0.037 108.828 108.800 0.109 0.000 2.813 119 G HA2 0.398 4.358 3.960 -0.000 0.000 0.209 119 G HA3 0.398 4.358 3.960 -0.000 0.000 0.209 119 G C 0.900 175.845 174.900 0.074 0.000 1.150 119 G CA 0.224 45.378 45.100 0.090 0.000 0.785 119 G HN 1.242 nan 8.290 nan 0.000 0.535 120 G N -1.568 107.273 108.800 0.068 0.000 2.758 120 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.686 120 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.686 120 G C -0.187 174.628 174.900 -0.142 0.000 1.389 120 G CA -0.531 44.558 45.100 -0.019 0.000 0.845 120 G HN 0.812 nan 8.290 nan 0.000 0.572 121 C N 1.532 120.624 119.300 -0.347 0.000 2.330 121 C HA 0.633 5.093 4.460 -0.000 0.000 0.344 121 C C 0.453 175.291 174.990 -0.253 0.000 1.273 121 C CA -1.471 57.132 59.018 -0.692 0.000 1.879 121 C CB 0.518 27.777 27.740 -0.801 0.000 2.376 121 C HN 0.718 nan 8.230 nan 0.000 0.534 122 N N 1.198 119.824 118.700 -0.124 0.000 2.518 122 N HA 0.492 5.232 4.740 -0.000 0.000 0.283 122 N C -0.785 174.701 175.510 -0.041 0.000 1.119 122 N CA -0.219 52.802 53.050 -0.048 0.000 0.983 122 N CB 1.344 39.818 38.487 -0.020 0.000 1.139 122 N HN 0.504 nan 8.380 nan 0.000 0.465 123 V N 2.098 121.996 119.914 -0.027 0.000 2.385 123 V HA 0.269 4.389 4.120 -0.000 0.000 0.277 123 V C 0.348 176.431 176.094 -0.020 0.000 1.012 123 V CA -0.364 61.924 62.300 -0.020 0.000 0.832 123 V CB 0.979 32.799 31.823 -0.004 0.000 1.028 123 V HN 0.710 nan 8.190 nan 0.000 0.436 124 E N 3.000 123.189 120.200 -0.019 0.000 2.535 124 E HA 0.227 4.577 4.350 -0.000 0.000 0.216 124 E C 0.313 176.895 176.600 -0.030 0.000 0.845 124 E CA 0.012 56.399 56.400 -0.022 0.000 1.306 124 E CB 1.373 31.063 29.700 -0.016 0.000 1.291 124 E HN 0.894 nan 8.360 nan 0.000 0.635 125 E N -0.616 119.567 120.200 -0.028 0.000 2.435 125 E HA 0.456 4.806 4.350 -0.000 0.000 0.277 125 E C 0.441 177.031 176.600 -0.017 0.000 1.106 125 E CA -0.746 55.637 56.400 -0.029 0.000 0.868 125 E CB 0.513 30.200 29.700 -0.021 0.000 1.454 125 E HN 0.035 nan 8.360 nan 0.000 0.452 126 G N 0.078 108.873 108.800 -0.008 0.000 2.582 126 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.300 126 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.300 126 G C -0.670 174.226 174.900 -0.007 0.000 1.300 126 G CA 0.547 45.651 45.100 0.006 0.000 0.959 126 G HN 0.771 nan 8.290 nan 0.000 0.548 127 L N 0.257 121.476 121.223 -0.006 0.000 2.322 127 L HA 0.735 5.075 4.340 -0.000 0.000 0.281 127 L C 0.216 177.058 176.870 -0.047 0.000 1.014 127 L CA -0.122 54.702 54.840 -0.027 0.000 0.815 127 L CB 2.107 44.146 42.059 -0.035 0.000 1.247 127 L HN 0.677 nan 8.230 nan 0.000 0.421 128 T N 6.372 120.889 114.554 -0.061 0.000 2.791 128 T HA 0.558 4.908 4.350 -0.000 0.000 0.288 128 T C -0.408 174.200 174.700 -0.153 0.000 0.999 128 T CA -0.266 61.765 62.100 -0.115 0.000 0.952 128 T CB 0.631 69.433 68.868 -0.111 0.000 0.938 128 T HN 0.269 nan 8.240 nan 0.000 0.444 129 I N 3.941 124.381 120.570 -0.217 0.000 2.339 129 I HA 0.402 4.572 4.170 -0.000 0.000 0.290 129 I C -0.386 175.578 176.117 -0.254 0.000 0.994 129 I CA -1.137 60.058 61.300 -0.175 0.000 1.191 129 I CB 0.664 38.556 38.000 -0.181 0.000 1.343 129 I HN 0.533 nan 8.210 nan 0.000 0.458 130 F N 5.827 125.763 119.950 -0.023 0.000 2.410 130 F HA 0.350 4.877 4.527 -0.000 0.000 0.348 130 F C 0.562 176.338 175.800 -0.040 0.000 1.106 130 F CA -0.465 57.524 58.000 -0.018 0.000 1.163 130 F CB 0.783 39.808 39.000 0.041 0.000 1.129 130 F HN 0.159 nan 8.300 nan 0.000 0.516 131 L N 5.146 126.363 121.223 -0.010 0.000 2.295 131 L HA 0.450 4.790 4.340 -0.000 0.000 0.288 131 L C -0.713 176.173 176.870 0.026 0.000 1.079 131 L CA -0.550 54.239 54.840 -0.086 0.000 0.830 131 L CB 0.345 42.157 42.059 -0.411 0.000 1.200 131 L HN 0.317 nan 8.230 nan 0.000 0.438 132 V N 3.068 123.033 119.914 0.086 0.000 2.656 132 V HA 0.474 4.594 4.120 -0.000 0.000 0.307 132 V C -0.273 175.850 176.094 0.049 0.000 1.051 132 V CA -0.787 61.549 62.300 0.061 0.000 0.893 132 V CB 1.956 33.786 31.823 0.013 0.000 0.999 132 V HN 0.861 nan 8.190 nan 0.000 0.426 133 N N 2.482 121.203 118.700 0.034 0.000 3.002 133 N HA 0.465 5.205 4.740 -0.000 0.000 0.331 133 N C -0.928 174.592 175.510 0.016 0.000 1.384 133 N CA -0.886 52.184 53.050 0.035 0.000 0.780 133 N CB 1.434 39.948 38.487 0.045 0.000 1.492 133 N HN 0.468 nan 8.380 nan 0.000 0.608 134 N N -0.576 118.137 118.700 0.021 0.000 2.710 134 N HA 0.356 5.096 4.740 -0.000 0.000 0.244 134 N C -3.033 172.488 175.510 0.019 0.000 1.321 134 N CA -0.942 52.115 53.050 0.012 0.000 0.758 134 N CB 1.070 39.560 38.487 0.005 0.000 1.284 134 N HN 0.364 nan 8.380 nan 0.000 0.530 135 P HA 0.188 nan 4.420 nan 0.000 0.262 135 P C 0.896 178.208 177.300 0.020 0.000 1.199 135 P CA 0.865 63.980 63.100 0.024 0.000 0.763 135 P CB 0.578 32.293 31.700 0.025 0.000 0.790 136 G N 1.670 110.483 108.800 0.021 0.000 2.956 136 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.210 136 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.210 136 G C 0.520 175.430 174.900 0.017 0.000 1.316 136 G CA 0.079 45.190 45.100 0.018 0.000 0.819 136 G HN 0.800 nan 8.290 nan 0.000 0.544 137 K N 1.605 122.013 120.400 0.014 0.000 2.237 137 K HA 0.707 5.027 4.320 -0.000 0.000 0.283 137 K C 0.323 176.935 176.600 0.019 0.000 1.080 137 K CA 1.549 57.844 56.287 0.013 0.000 0.965 137 K CB -0.964 31.540 32.500 0.007 0.000 1.098 137 K HN 1.971 nan 8.250 nan 0.000 0.434 138 E N 3.022 123.235 120.200 0.022 0.000 2.417 138 E HA 0.183 4.533 4.350 -0.000 0.000 0.261 138 E C 0.400 177.018 176.600 0.030 0.000 1.000 138 E CA -0.004 56.412 56.400 0.027 0.000 0.919 138 E CB -0.494 29.222 29.700 0.026 0.000 0.955 138 E HN 0.757 nan 8.360 nan 0.000 0.455 139 N N 0.652 119.375 118.700 0.039 0.000 2.721 139 N HA -0.134 4.606 4.740 -0.000 0.000 0.249 139 N C 0.601 176.135 175.510 0.039 0.000 1.072 139 N CA 1.074 54.153 53.050 0.047 0.000 0.710 139 N CB -1.584 36.931 38.487 0.047 0.000 0.993 139 N HN 1.013 nan 8.380 nan 0.000 0.547 140 G N 0.469 109.287 108.800 0.029 0.000 2.616 140 G HA2 0.427 4.387 3.960 -0.000 0.000 0.268 140 G HA3 0.427 4.387 3.960 -0.000 0.000 0.268 140 G C -2.095 172.810 174.900 0.009 0.000 1.213 140 G CA -0.657 44.451 45.100 0.014 0.000 0.926 140 G HN 0.050 nan 8.290 nan 0.000 0.523 141 P HA 0.148 nan 4.420 nan 0.000 0.272 141 P C -0.099 177.167 177.300 -0.057 0.000 1.230 141 P CA -0.319 62.765 63.100 -0.025 0.000 0.788 141 P CB 0.979 32.654 31.700 -0.041 0.000 0.949 142 V N 3.188 123.043 119.914 -0.098 0.000 2.508 142 V HA 0.102 4.222 4.120 -0.000 0.000 0.281 142 V C 0.808 176.816 176.094 -0.144 0.000 1.041 142 V CA 0.573 62.754 62.300 -0.198 0.000 1.016 142 V CB -0.429 31.166 31.823 -0.381 0.000 0.984 142 V HN 0.479 nan 8.190 nan 0.000 0.478 143 K N 5.329 125.647 120.400 -0.135 0.000 2.613 143 K HA 0.476 4.796 4.320 -0.000 0.000 0.248 143 K C -1.127 175.393 176.600 -0.133 0.000 0.959 143 K CA -0.709 55.506 56.287 -0.119 0.000 0.855 143 K CB 1.707 34.158 32.500 -0.082 0.000 1.143 143 K HN 0.407 nan 8.250 nan 0.000 0.437 144 I N 2.915 123.373 120.570 -0.187 0.000 2.533 144 I HA -0.044 4.126 4.170 -0.000 0.000 0.284 144 I C 1.400 177.436 176.117 -0.135 0.000 1.109 144 I CA 0.522 61.672 61.300 -0.249 0.000 1.412 144 I CB 0.748 38.466 38.000 -0.469 0.000 1.396 144 I HN 0.686 nan 8.210 nan 0.000 0.543 145 S N 2.590 118.252 115.700 -0.063 0.000 2.511 145 S HA 0.150 4.620 4.470 -0.000 0.000 0.214 145 S C 0.866 175.478 174.600 0.019 0.000 0.997 145 S CA -0.431 57.761 58.200 -0.013 0.000 0.908 145 S CB 0.167 63.374 63.200 0.011 0.000 0.803 145 S HN 0.551 nan 8.310 nan 0.000 0.504 146 S N 2.097 117.831 115.700 0.058 0.000 2.614 146 S HA 0.598 5.068 4.470 -0.000 0.000 0.265 146 S C 0.355 174.983 174.600 0.046 0.000 1.303 146 S CA -0.413 57.841 58.200 0.089 0.000 1.000 146 S CB 0.664 63.979 63.200 0.191 0.000 0.935 146 S HN 0.744 nan 8.310 nan 0.000 0.551 147 K N 0.708 121.128 120.400 0.034 0.000 2.218 147 K HA 0.604 4.924 4.320 -0.000 0.000 0.276 147 K C -0.704 175.902 176.600 0.011 0.000 1.022 147 K CA -0.575 55.722 56.287 0.016 0.000 0.946 147 K CB 0.444 32.952 32.500 0.012 0.000 1.000 147 K HN 0.467 nan 8.250 nan 0.000 0.468 148 V N 2.994 122.915 119.914 0.013 0.000 2.531 148 V HA 0.261 4.381 4.120 -0.000 0.000 0.301 148 V C -0.492 175.603 176.094 0.001 0.000 1.034 148 V CA -1.170 61.138 62.300 0.013 0.000 0.865 148 V CB 1.857 33.719 31.823 0.065 0.000 0.995 148 V HN 0.934 nan 8.190 nan 0.000 0.424 149 N N 4.222 122.913 118.700 -0.016 0.000 3.250 149 N HA 0.216 4.956 4.740 -0.000 0.000 0.307 149 N C -0.602 174.907 175.510 -0.001 0.000 1.355 149 N CA 0.108 53.153 53.050 -0.008 0.000 1.192 149 N CB 0.239 38.717 38.487 -0.014 0.000 1.478 149 N HN 0.757 nan 8.380 nan 0.000 0.543 150 D N -0.323 120.082 120.400 0.008 0.000 2.688 150 D HA 0.094 4.734 4.640 -0.000 0.000 0.210 150 D C 0.722 177.035 176.300 0.023 0.000 1.333 150 D CA -0.201 53.809 54.000 0.015 0.000 0.920 150 D CB 1.034 41.844 40.800 0.017 0.000 1.554 150 D HN 0.136 nan 8.370 nan 0.000 0.579 151 K N 2.665 123.078 120.400 0.022 0.000 2.009 151 K HA -0.207 4.113 4.320 -0.000 0.000 0.210 151 K C 1.763 178.385 176.600 0.037 0.000 1.049 151 K CA 1.493 57.794 56.287 0.023 0.000 0.929 151 K CB -0.661 31.850 32.500 0.019 0.000 0.714 151 K HN 0.491 nan 8.250 nan 0.000 0.440 152 Q N 0.238 120.066 119.800 0.047 0.000 2.030 152 Q HA -0.097 4.243 4.340 -0.000 0.000 0.204 152 Q C 2.360 178.414 176.000 0.090 0.000 0.986 152 Q CA 1.756 57.601 55.803 0.070 0.000 0.843 152 Q CB -0.834 27.948 28.738 0.074 0.000 0.904 152 Q HN 0.421 nan 8.270 nan 0.000 0.420 153 V N 1.083 121.039 119.914 0.070 0.000 2.343 153 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 153 V C 2.382 178.539 176.094 0.105 0.000 1.051 153 V CA 1.861 64.216 62.300 0.091 0.000 1.036 153 V CB -0.759 31.108 31.823 0.074 0.000 0.654 153 V HN 0.277 nan 8.190 nan 0.000 0.451 154 S N -0.297 115.441 115.700 0.062 0.000 2.383 154 S HA -0.223 4.247 4.470 -0.000 0.000 0.229 154 S C 2.113 176.726 174.600 0.022 0.000 1.030 154 S CA 1.699 59.916 58.200 0.030 0.000 1.002 154 S CB -0.276 62.933 63.200 0.015 0.000 0.829 154 S HN 0.707 nan 8.310 nan 0.000 0.467 155 E N 0.345 120.571 120.200 0.043 0.000 2.047 155 E HA -0.017 4.333 4.350 -0.000 0.000 0.191 155 E C 1.635 178.245 176.600 0.016 0.000 0.987 155 E CA 0.755 57.169 56.400 0.023 0.000 0.799 155 E CB -0.618 29.104 29.700 0.037 0.000 0.752 155 E HN 0.737 nan 8.360 nan 0.000 0.449 156 F N 0.414 120.331 119.950 -0.056 0.000 2.269 156 F HA 0.027 4.554 4.527 -0.000 0.000 0.301 156 F C 1.775 177.482 175.800 -0.156 0.000 1.082 156 F CA 1.156 59.098 58.000 -0.096 0.000 1.360 156 F CB 0.103 39.055 39.000 -0.080 0.000 1.041 156 F HN 0.059 nan 8.300 nan 0.000 0.512 157 L N -0.052 121.194 121.223 0.038 0.000 2.629 157 L HA 0.032 4.372 4.340 -0.000 0.000 0.230 157 L C 0.620 177.411 176.870 -0.132 0.000 1.151 157 L CA -0.211 54.589 54.840 -0.066 0.000 0.924 157 L CB -0.646 41.372 42.059 -0.068 0.000 1.137 157 L HN -0.308 nan 8.230 nan 0.000 0.457 158 K N -0.013 120.303 120.400 -0.140 0.000 2.380 158 K HA -0.037 4.283 4.320 -0.000 0.000 0.267 158 K C 0.743 177.252 176.600 -0.151 0.000 0.990 158 K CA -0.280 55.927 56.287 -0.133 0.000 0.946 158 K CB 0.740 33.167 32.500 -0.121 0.000 0.937 158 K HN 0.120 nan 8.250 nan 0.000 0.491 159 D N 1.535 121.861 120.400 -0.124 0.000 2.116 159 D HA -0.162 4.478 4.640 -0.000 0.000 0.193 159 D C 2.023 178.240 176.300 -0.138 0.000 0.998 159 D CA 1.873 55.801 54.000 -0.119 0.000 0.836 159 D CB -0.181 40.563 40.800 -0.094 0.000 0.951 159 D HN 0.622 nan 8.370 nan 0.000 0.449 160 E N 0.639 120.756 120.200 -0.137 0.000 2.097 160 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 160 E C 1.836 178.314 176.600 -0.204 0.000 1.000 160 E CA 1.234 57.545 56.400 -0.149 0.000 0.804 160 E CB -0.899 28.722 29.700 -0.132 0.000 0.740 160 E HN 0.352 nan 8.360 nan 0.000 0.454 161 N N -0.568 117.982 118.700 -0.249 0.000 2.457 161 N HA -0.032 4.708 4.740 -0.000 0.000 0.180 161 N C 1.321 176.614 175.510 -0.363 0.000 1.050 161 N CA 0.839 53.678 53.050 -0.351 0.000 0.906 161 N CB -0.076 38.115 38.487 -0.494 0.000 0.968 161 N HN 0.179 nan 8.380 nan 0.000 0.445 162 M N 0.000 119.461 119.600 -0.232 0.000 2.441 162 M HA 0.091 4.571 4.480 -0.000 0.000 0.244 162 M C 1.277 177.481 176.300 -0.160 0.000 1.122 162 M CA 0.374 55.626 55.300 -0.080 0.000 1.041 162 M CB -0.251 32.331 32.600 -0.031 0.000 1.438 162 M HN 0.304 nan 8.290 nan 0.000 0.484 163 E N 1.369 121.433 120.200 -0.228 0.000 2.274 163 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 163 E C 1.458 177.932 176.600 -0.211 0.000 0.996 163 E CA 0.976 57.272 56.400 -0.173 0.000 0.840 163 E CB -0.429 29.183 29.700 -0.147 0.000 0.772 163 E HN 0.555 nan 8.360 nan 0.000 0.491 164 K N 0.460 120.623 120.400 -0.396 0.000 2.442 164 K HA -0.032 4.288 4.320 -0.000 0.000 0.198 164 K C -0.251 176.155 176.600 -0.323 0.000 1.044 164 K CA 0.544 56.568 56.287 -0.437 0.000 0.948 164 K CB -0.308 31.809 32.500 -0.637 0.000 0.762 164 K HN 0.115 nan 8.250 nan 0.000 0.472 165 F N 2.063 122.043 119.950 0.051 0.000 2.480 165 F HA 0.262 4.789 4.527 -0.000 0.000 0.329 165 F C 0.294 176.118 175.800 0.041 0.000 1.091 165 F CA -1.490 56.579 58.000 0.116 0.000 0.972 165 F CB 1.289 40.412 39.000 0.205 0.000 1.150 165 F HN 0.052 nan 8.300 nan 0.000 0.467 166 N N -0.325 118.560 118.700 0.308 0.000 2.619 166 N HA 0.472 5.212 4.740 -0.000 0.000 0.294 166 N C -0.377 175.249 175.510 0.193 0.000 1.279 166 N CA -0.813 52.336 53.050 0.164 0.000 0.867 166 N CB 1.426 39.985 38.487 0.120 0.000 1.329 166 N HN 0.353 nan 8.380 nan 0.000 0.557 167 V N -4.097 115.890 119.914 0.121 0.000 3.376 167 V HA 0.336 4.456 4.120 -0.000 0.000 0.313 167 V C 0.610 176.783 176.094 0.132 0.000 1.393 167 V CA -0.450 61.932 62.300 0.135 0.000 1.125 167 V CB -1.365 30.492 31.823 0.057 0.000 1.037 167 V HN 0.714 nan 8.190 nan 0.000 0.440 168 K N 1.467 121.940 120.400 0.122 0.000 2.561 168 K HA 0.075 4.395 4.320 -0.000 0.000 0.280 168 K C 0.071 176.723 176.600 0.085 0.000 0.975 168 K CA -0.230 56.111 56.287 0.090 0.000 1.024 168 K CB 0.378 32.927 32.500 0.081 0.000 0.883 168 K HN 0.535 nan 8.250 nan 0.000 0.496 169 L N 4.604 125.867 121.223 0.067 0.000 2.584 169 L HA -0.044 4.296 4.340 -0.000 0.000 0.272 169 L C 1.132 178.030 176.870 0.047 0.000 1.195 169 L CA 1.647 56.524 54.840 0.061 0.000 0.920 169 L CB -0.277 41.816 42.059 0.058 0.000 1.173 169 L HN 1.182 nan 8.230 nan 0.000 0.489 170 G N 2.196 111.016 108.800 0.034 0.000 2.195 170 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.246 170 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.246 170 G C 0.496 175.378 174.900 -0.030 0.000 0.984 170 G CA 0.383 45.485 45.100 0.002 0.000 0.633 170 G HN 0.664 nan 8.290 nan 0.000 0.525 171 T N 0.776 115.325 114.554 -0.009 0.000 2.898 171 T HA 0.593 4.943 4.350 -0.000 0.000 0.301 171 T C 0.548 175.122 174.700 -0.211 0.000 1.049 171 T CA 1.300 63.375 62.100 -0.043 0.000 1.095 171 T CB 0.849 69.751 68.868 0.057 0.000 0.976 171 T HN 1.765 nan 8.240 nan 0.000 0.539 172 S N 2.452 117.945 115.700 -0.346 0.000 2.625 172 S HA 0.811 5.281 4.470 -0.000 0.000 0.271 172 S C -1.685 172.512 174.600 -0.672 0.000 1.161 172 S CA -1.066 56.720 58.200 -0.690 0.000 0.820 172 S CB 2.002 64.888 63.200 -0.524 0.000 1.137 172 S HN 0.714 nan 8.310 nan 0.000 0.470 173 K N -0.138 119.712 120.400 -0.917 0.000 2.551 173 K HA 0.603 4.923 4.320 -0.000 0.000 0.269 173 K C -2.162 173.903 176.600 -0.892 0.000 0.949 173 K CA -0.352 55.495 56.287 -0.733 0.000 0.849 173 K CB 1.791 33.786 32.500 -0.842 0.000 1.411 173 K HN 0.821 nan 8.250 nan 0.000 0.432 174 H N 0.866 119.545 119.070 -0.651 0.000 2.538 174 H HA 0.608 5.164 4.556 -0.000 0.000 0.353 174 H C -1.095 173.991 175.328 -0.404 0.000 1.109 174 H CA -0.418 55.296 56.048 -0.557 0.000 1.192 174 H CB 0.947 30.564 29.762 -0.242 0.000 1.555 174 H HN 0.320 nan 8.280 nan 0.000 0.518 175 F N 1.580 121.590 119.950 0.100 0.000 2.577 175 F HA 0.357 4.884 4.527 -0.000 0.000 0.318 175 F C -1.037 174.716 175.800 -0.080 0.000 1.065 175 F CA -1.197 56.792 58.000 -0.018 0.000 0.929 175 F CB 1.899 40.790 39.000 -0.181 0.000 1.237 175 F HN 0.419 nan 8.300 nan 0.000 0.468 176 Y N 4.603 124.833 120.300 -0.116 0.000 2.386 176 Y HA 0.693 5.243 4.550 -0.000 0.000 0.334 176 Y C -1.093 174.629 175.900 -0.297 0.000 1.002 176 Y CA -1.092 56.904 58.100 -0.173 0.000 1.068 176 Y CB 1.446 39.846 38.460 -0.101 0.000 1.203 176 Y HN 0.658 nan 8.280 nan 0.000 0.443 177 M N 3.545 122.676 119.600 -0.781 0.000 2.813 177 M HA 0.567 5.046 4.480 -0.000 0.000 0.270 177 M C -2.140 173.735 176.300 -0.708 0.000 1.267 177 M CA -0.851 54.105 55.300 -0.573 0.000 0.822 177 M CB 2.396 34.775 32.600 -0.368 0.000 1.671 177 M HN 0.496 nan 8.290 nan 0.000 0.468 178 F N 2.453 122.243 119.950 -0.267 0.000 2.408 178 F HA 0.406 4.933 4.527 -0.000 0.000 0.344 178 F C 0.656 176.393 175.800 -0.104 0.000 1.112 178 F CA -0.208 57.687 58.000 -0.175 0.000 1.096 178 F CB 1.112 40.053 39.000 -0.098 0.000 1.129 178 F HN 0.742 nan 8.300 nan 0.000 0.486 179 N N 0.807 119.545 118.700 0.062 0.000 2.374 179 N HA 0.066 4.806 4.740 -0.000 0.000 0.284 179 N C 0.435 175.987 175.510 0.071 0.000 1.280 179 N CA -0.373 52.703 53.050 0.044 0.000 0.963 179 N CB 0.212 38.701 38.487 0.003 0.000 1.141 179 N HN 0.422 nan 8.380 nan 0.000 0.565 180 D N -0.977 119.449 120.400 0.043 0.000 2.182 180 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 180 D C 0.278 176.598 176.300 0.035 0.000 0.986 180 D CA 1.094 55.115 54.000 0.035 0.000 0.847 180 D CB -0.347 40.467 40.800 0.023 0.000 0.942 180 D HN 0.501 nan 8.370 nan 0.000 0.467 181 N N 0.510 119.233 118.700 0.038 0.000 2.362 181 N HA -0.008 4.732 4.740 -0.000 0.000 0.204 181 N C 0.528 176.076 175.510 0.064 0.000 1.166 181 N CA 0.576 53.649 53.050 0.038 0.000 0.831 181 N CB 0.075 38.579 38.487 0.029 0.000 1.008 181 N HN 0.243 nan 8.380 nan 0.000 0.472 182 K N -1.500 118.955 120.400 0.092 0.000 3.177 182 K HA -0.262 4.058 4.320 -0.000 0.000 0.266 182 K C 0.116 176.876 176.600 0.266 0.000 0.937 182 K CA 1.351 57.728 56.287 0.150 0.000 0.702 182 K CB -2.964 29.546 32.500 0.016 0.000 1.365 182 K HN 0.811 nan 8.250 nan 0.000 0.466 183 N N 0.300 119.127 118.700 0.213 0.000 2.362 183 N HA 0.749 5.489 4.740 -0.000 0.000 0.298 183 N C 0.304 175.764 175.510 -0.083 0.000 1.048 183 N CA 0.055 53.183 53.050 0.130 0.000 0.858 183 N CB 1.452 39.960 38.487 0.036 0.000 1.218 183 N HN 1.508 nan 8.380 nan 0.000 0.488 184 S N 0.057 115.560 115.700 -0.328 0.000 2.564 184 S HA 0.573 5.043 4.470 -0.000 0.000 0.278 184 S C -0.095 174.214 174.600 -0.485 0.000 1.333 184 S CA -0.450 57.236 58.200 -0.856 0.000 1.048 184 S CB 0.700 63.374 63.200 -0.876 0.000 0.900 184 S HN 0.969 nan 8.310 nan 0.000 0.505 185 V N 1.474 121.045 119.914 -0.572 0.000 2.932 185 V HA 0.738 4.858 4.120 -0.000 0.000 0.307 185 V C -0.352 175.571 176.094 -0.284 0.000 1.147 185 V CA -0.442 61.676 62.300 -0.303 0.000 0.951 185 V CB 2.074 33.767 31.823 -0.217 0.000 1.031 185 V HN 1.341 nan 8.190 nan 0.000 0.426 186 A N 4.779 127.527 122.820 -0.119 0.000 2.305 186 A HA 0.916 5.236 4.320 -0.000 0.000 0.322 186 A C -0.985 176.590 177.584 -0.016 0.000 1.187 186 A CA -0.421 51.597 52.037 -0.032 0.000 0.825 186 A CB 1.501 20.530 19.000 0.048 0.000 1.164 186 A HN 0.846 nan 8.150 nan 0.000 0.498 187 V N 0.796 120.723 119.914 0.021 0.000 3.040 187 V HA 0.933 5.053 4.120 -0.000 0.000 0.312 187 V C 0.569 176.606 176.094 -0.095 0.000 1.115 187 V CA 0.230 62.587 62.300 0.096 0.000 0.998 187 V CB 2.202 34.193 31.823 0.281 0.000 1.042 187 V HN 1.539 nan 8.190 nan 0.000 0.433 188 G N 0.957 109.688 108.800 -0.116 0.000 2.548 188 G HA2 0.708 4.668 3.960 -0.000 0.000 0.301 188 G HA3 0.708 4.668 3.960 -0.000 0.000 0.301 188 G C -2.011 172.833 174.900 -0.094 0.000 1.349 188 G CA -0.228 44.551 45.100 -0.536 0.000 0.792 188 G HN 1.305 nan 8.290 nan 0.000 0.481 189 Y N -2.047 118.063 120.300 -0.315 0.000 2.609 189 Y HA 0.784 5.334 4.550 -0.000 0.000 0.336 189 Y C -1.477 174.323 175.900 -0.167 0.000 1.129 189 Y CA -1.514 56.523 58.100 -0.105 0.000 1.040 189 Y CB 1.560 40.032 38.460 0.020 0.000 1.310 189 Y HN 0.542 nan 8.280 nan 0.000 0.460 190 V N 2.431 122.297 119.914 -0.080 0.000 2.495 190 V HA 0.704 4.824 4.120 -0.000 0.000 0.298 190 V C 0.451 176.652 176.094 0.178 0.000 1.031 190 V CA -0.410 61.808 62.300 -0.137 0.000 0.871 190 V CB 1.483 33.233 31.823 -0.122 0.000 0.988 190 V HN 1.136 nan 8.190 nan 0.000 0.432 191 G N 2.143 111.062 108.800 0.199 0.000 2.378 191 G HA2 0.300 4.260 3.960 -0.000 0.000 0.255 191 G HA3 0.300 4.260 3.960 -0.000 0.000 0.255 191 G C 0.389 175.357 174.900 0.114 0.000 1.270 191 G CA -0.164 45.081 45.100 0.241 0.000 0.876 191 G HN 0.892 nan 8.290 nan 0.000 0.521 192 C N 2.267 121.624 119.300 0.096 0.000 2.881 192 C HA 0.658 5.118 4.460 -0.000 0.000 0.290 192 C C 1.568 176.599 174.990 0.069 0.000 1.362 192 C CA -0.022 59.038 59.018 0.071 0.000 1.757 192 C CB -1.546 26.227 27.740 0.056 0.000 2.265 192 C HN 1.407 nan 8.230 nan 0.000 0.600 193 G N 2.009 110.852 108.800 0.071 0.000 2.642 193 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.231 193 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.231 193 G C 0.645 175.576 174.900 0.052 0.000 1.338 193 G CA 0.236 45.373 45.100 0.062 0.000 0.883 193 G HN 0.802 nan 8.290 nan 0.000 0.570 194 S N -1.928 113.800 115.700 0.046 0.000 2.526 194 S HA 0.453 4.923 4.470 -0.000 0.000 0.220 194 S C 0.631 175.254 174.600 0.039 0.000 1.017 194 S CA 0.852 59.076 58.200 0.039 0.000 0.930 194 S CB 0.806 64.026 63.200 0.034 0.000 0.856 194 S HN 1.305 nan 8.310 nan 0.000 0.497 195 V N 3.037 122.977 119.914 0.043 0.000 2.368 195 V HA 0.552 4.672 4.120 -0.000 0.000 0.266 195 V C 1.357 177.480 176.094 0.049 0.000 1.045 195 V CA -0.080 62.246 62.300 0.044 0.000 0.899 195 V CB 0.376 32.227 31.823 0.046 0.000 1.006 195 V HN 0.483 nan 8.190 nan 0.000 0.470 196 A N 3.127 125.975 122.820 0.046 0.000 2.225 196 A HA 0.090 4.410 4.320 -0.000 0.000 0.215 196 A C 1.149 178.768 177.584 0.058 0.000 1.164 196 A CA 1.212 53.280 52.037 0.051 0.000 0.710 196 A CB -0.720 18.308 19.000 0.045 0.000 0.780 196 A HN 0.936 nan 8.150 nan 0.000 0.473 197 D N 0.235 120.669 120.400 0.056 0.000 2.460 197 D HA 0.577 5.217 4.640 -0.000 0.000 0.232 197 D C -0.456 175.883 176.300 0.064 0.000 1.079 197 D CA -0.567 53.468 54.000 0.059 0.000 0.864 197 D CB 0.296 41.126 40.800 0.051 0.000 1.048 197 D HN 0.295 nan 8.370 nan 0.000 0.523 198 L N 2.395 123.664 121.223 0.077 0.000 2.313 198 L HA 0.368 4.708 4.340 -0.000 0.000 0.282 198 L C 1.443 178.357 176.870 0.074 0.000 1.092 198 L CA -0.740 54.151 54.840 0.085 0.000 0.831 198 L CB 1.193 43.319 42.059 0.112 0.000 1.159 198 L HN 0.632 nan 8.230 nan 0.000 0.442 199 S N 1.631 117.372 115.700 0.069 0.000 2.596 199 S HA -0.016 4.454 4.470 -0.000 0.000 0.260 199 S C 1.105 175.728 174.600 0.038 0.000 1.336 199 S CA -0.440 57.789 58.200 0.049 0.000 0.993 199 S CB 1.073 64.314 63.200 0.069 0.000 0.923 199 S HN 0.756 nan 8.310 nan 0.000 0.567 200 E N 1.234 121.405 120.200 -0.048 0.000 2.097 200 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 200 E C 1.982 178.660 176.600 0.131 0.000 1.000 200 E CA 1.833 58.148 56.400 -0.142 0.000 0.804 200 E CB -0.804 28.719 29.700 -0.296 0.000 0.740 200 E HN 0.797 nan 8.360 nan 0.000 0.454 201 A N 1.182 124.079 122.820 0.127 0.000 1.929 201 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 201 A C 1.879 179.553 177.584 0.149 0.000 1.176 201 A CA 1.564 53.697 52.037 0.160 0.000 0.628 201 A CB -0.369 18.716 19.000 0.142 0.000 0.816 201 A HN 0.258 nan 8.150 nan 0.000 0.444 202 D N -0.638 119.841 120.400 0.131 0.000 2.104 202 D HA -0.173 4.467 4.640 -0.000 0.000 0.194 202 D C 1.797 178.188 176.300 0.152 0.000 0.994 202 D CA 1.768 55.840 54.000 0.121 0.000 0.830 202 D CB -0.405 40.458 40.800 0.105 0.000 0.959 202 D HN 0.379 nan 8.370 nan 0.000 0.452 203 M N 0.941 120.668 119.600 0.212 0.000 2.213 203 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 203 M C 1.808 178.256 176.300 0.247 0.000 1.062 203 M CA 1.494 56.963 55.300 0.282 0.000 1.105 203 M CB -0.193 32.668 32.600 0.435 0.000 1.385 203 M HN -0.186 nan 8.290 nan 0.000 0.417 204 K N -0.572 119.987 120.400 0.264 0.000 2.097 204 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 204 K C 2.047 178.696 176.600 0.082 0.000 1.049 204 K CA 1.336 57.714 56.287 0.152 0.000 0.933 204 K CB -0.069 32.554 32.500 0.204 0.000 0.717 204 K HN 0.341 nan 8.250 nan 0.000 0.442 205 R N -0.170 120.386 120.500 0.093 0.000 2.092 205 R HA -0.063 4.277 4.340 -0.000 0.000 0.231 205 R C 2.182 178.502 176.300 0.033 0.000 1.119 205 R CA 1.344 57.478 56.100 0.057 0.000 0.970 205 R CB -0.339 29.997 30.300 0.060 0.000 0.864 205 R HN 0.070 nan 8.270 nan 0.000 0.440 206 V N 0.636 120.584 119.914 0.057 0.000 2.295 206 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 206 V C 2.416 178.513 176.094 0.005 0.000 1.049 206 V CA 1.619 63.944 62.300 0.042 0.000 1.024 206 V CB -0.341 31.535 31.823 0.089 0.000 0.648 206 V HN 0.100 nan 8.190 nan 0.000 0.447 207 V N -0.537 119.371 119.914 -0.010 0.000 2.343 207 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 207 V C 2.402 178.410 176.094 -0.144 0.000 1.051 207 V CA 1.495 63.711 62.300 -0.141 0.000 1.036 207 V CB -0.611 31.051 31.823 -0.268 0.000 0.654 207 V HN 0.367 nan 8.190 nan 0.000 0.451 208 L N 0.184 121.356 121.223 -0.084 0.000 2.042 208 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 208 L C 2.602 179.418 176.870 -0.090 0.000 1.076 208 L CA 1.995 56.792 54.840 -0.072 0.000 0.749 208 L CB -1.356 40.690 42.059 -0.021 0.000 0.893 208 L HN 0.331 nan 8.230 nan 0.000 0.432 209 S N -0.673 114.976 115.700 -0.085 0.000 2.368 209 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 209 S C 1.855 176.360 174.600 -0.159 0.000 1.029 209 S CA 0.813 58.948 58.200 -0.109 0.000 0.988 209 S CB -0.385 62.749 63.200 -0.110 0.000 0.838 209 S HN 0.304 nan 8.310 nan 0.000 0.462 210 L N 2.265 123.386 121.223 -0.170 0.000 2.012 210 L HA -0.067 4.273 4.340 -0.000 0.000 0.210 210 L C 2.205 178.909 176.870 -0.277 0.000 1.073 210 L CA 1.676 56.386 54.840 -0.216 0.000 0.748 210 L CB -0.953 40.994 42.059 -0.186 0.000 0.891 210 L HN 0.147 nan 8.230 nan 0.000 0.431 211 V N -0.217 119.516 119.914 -0.301 0.000 2.343 211 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 211 V C 2.723 178.581 176.094 -0.394 0.000 1.051 211 V CA 2.050 64.098 62.300 -0.421 0.000 1.036 211 V CB -1.396 30.209 31.823 -0.362 0.000 0.654 211 V HN 0.775 nan 8.190 nan 0.000 0.451 212 T N -1.784 112.648 114.554 -0.204 0.000 2.849 212 T HA -0.236 4.114 4.350 -0.000 0.000 0.270 212 T C 1.684 176.342 174.700 -0.069 0.000 1.066 212 T CA 1.784 63.830 62.100 -0.089 0.000 1.130 212 T CB -0.436 68.408 68.868 -0.040 0.000 0.864 212 T HN 0.438 nan 8.240 nan 0.000 0.481 213 M N 0.281 119.807 119.600 -0.124 0.000 2.394 213 M HA 0.239 4.719 4.480 -0.000 0.000 0.264 213 M C 2.052 178.325 176.300 -0.045 0.000 1.073 213 M CA 1.054 56.324 55.300 -0.049 0.000 1.111 213 M CB -0.397 32.077 32.600 -0.211 0.000 1.401 213 M HN 0.232 nan 8.290 nan 0.000 0.448 214 L N -1.476 119.643 121.223 -0.173 0.000 2.249 214 L HA 0.021 4.361 4.340 -0.000 0.000 0.207 214 L C 0.880 177.759 176.870 0.015 0.000 1.090 214 L CA 0.086 54.831 54.840 -0.159 0.000 0.802 214 L CB -0.589 41.201 42.059 -0.447 0.000 0.947 214 L HN 0.221 nan 8.230 nan 0.000 0.453 215 H N 0.751 119.812 119.070 -0.015 0.000 2.690 215 H HA 0.133 4.689 4.556 -0.000 0.000 0.365 215 H C 0.816 176.124 175.328 -0.034 0.000 1.142 215 H CA 0.043 56.081 56.048 -0.017 0.000 1.417 215 H CB 0.268 30.019 29.762 -0.019 0.000 1.446 215 H HN 0.252 nan 8.280 nan 0.000 0.599 216 D N 0.531 120.976 120.400 0.076 0.000 2.882 216 D HA -0.224 4.416 4.640 -0.000 0.000 0.229 216 D C 0.095 176.390 176.300 -0.008 0.000 1.167 216 D CA 1.206 55.209 54.000 0.005 0.000 0.759 216 D CB -1.905 38.892 40.800 -0.005 0.000 1.088 216 D HN 0.515 nan 8.370 nan 0.000 0.425 217 N N -1.218 117.487 118.700 0.008 0.000 2.336 217 N HA 0.616 5.356 4.740 -0.000 0.000 0.290 217 N C -0.647 174.866 175.510 0.004 0.000 1.058 217 N CA 0.410 53.456 53.050 -0.007 0.000 0.865 217 N CB 1.896 40.383 38.487 0.000 0.000 1.581 217 N HN 0.899 nan 8.380 nan 0.000 0.480 218 K N 2.922 123.321 120.400 -0.002 0.000 2.267 218 K HA 0.582 4.902 4.320 -0.000 0.000 0.282 218 K C -0.549 176.065 176.600 0.023 0.000 1.078 218 K CA -0.158 56.135 56.287 0.008 0.000 0.903 218 K CB -0.198 32.303 32.500 0.002 0.000 1.111 218 K HN 0.540 nan 8.250 nan 0.000 0.475 219 L N 1.525 122.773 121.223 0.042 0.000 2.401 219 L HA 0.427 4.767 4.340 -0.000 0.000 0.266 219 L C 1.514 178.430 176.870 0.077 0.000 0.991 219 L CA -0.729 54.142 54.840 0.052 0.000 0.818 219 L CB 2.618 44.706 42.059 0.047 0.000 1.321 219 L HN 0.739 nan 8.230 nan 0.000 0.413 220 S N 1.090 116.839 115.700 0.083 0.000 2.486 220 S HA 0.130 4.600 4.470 -0.000 0.000 0.220 220 S C 0.396 175.096 174.600 0.167 0.000 1.011 220 S CA 0.223 58.497 58.200 0.124 0.000 0.921 220 S CB 0.239 63.510 63.200 0.118 0.000 0.785 220 S HN 0.610 nan 8.310 nan 0.000 0.517 221 K N 0.159 120.632 120.400 0.122 0.000 2.535 221 K HA 0.532 4.852 4.320 -0.000 0.000 0.251 221 K C -2.125 174.522 176.600 0.077 0.000 0.942 221 K CA -0.908 55.459 56.287 0.133 0.000 0.798 221 K CB 1.710 34.274 32.500 0.108 0.000 1.267 221 K HN 0.227 nan 8.250 nan 0.000 0.434 222 L N 2.931 124.199 121.223 0.075 0.000 2.329 222 L HA 0.628 4.968 4.340 -0.000 0.000 0.279 222 L C -1.001 175.904 176.870 0.058 0.000 1.014 222 L CA 0.157 55.013 54.840 0.027 0.000 0.814 222 L CB 2.002 44.043 42.059 -0.029 0.000 1.257 222 L HN 0.734 nan 8.230 nan 0.000 0.424 223 T N 3.415 117.991 114.554 0.037 0.000 2.861 223 T HA 0.744 5.094 4.350 -0.000 0.000 0.287 223 T C -1.198 173.506 174.700 0.007 0.000 1.003 223 T CA -0.540 61.610 62.100 0.084 0.000 0.977 223 T CB 1.307 70.287 68.868 0.187 0.000 0.996 223 T HN 0.441 nan 8.240 nan 0.000 0.448 224 V N 4.679 124.628 119.914 0.058 0.000 2.417 224 V HA 0.568 4.688 4.120 -0.000 0.000 0.291 224 V C -0.258 175.832 176.094 -0.006 0.000 1.024 224 V CA -0.768 61.506 62.300 -0.044 0.000 0.861 224 V CB 1.752 33.567 31.823 -0.013 0.000 0.985 224 V HN 0.874 nan 8.190 nan 0.000 0.436 225 V N 5.307 125.097 119.914 -0.206 0.000 2.357 225 V HA 0.428 4.548 4.120 -0.000 0.000 0.284 225 V C -0.520 175.524 176.094 -0.083 0.000 1.018 225 V CA -0.440 61.790 62.300 -0.116 0.000 0.841 225 V CB 1.236 32.788 31.823 -0.452 0.000 0.991 225 V HN 0.673 nan 8.190 nan 0.000 0.437 226 F N 3.433 123.356 119.950 -0.045 0.000 2.405 226 F HA 0.321 4.848 4.527 -0.000 0.000 0.358 226 F C 1.319 177.119 175.800 0.001 0.000 1.151 226 F CA -0.121 57.838 58.000 -0.069 0.000 1.161 226 F CB 0.622 39.539 39.000 -0.138 0.000 1.245 226 F HN 0.550 nan 8.300 nan 0.000 0.545 227 E N 5.153 125.429 120.200 0.127 0.000 2.411 227 E HA 0.203 4.553 4.350 -0.000 0.000 0.204 227 E C -0.104 176.555 176.600 0.098 0.000 1.059 227 E CA -0.001 56.475 56.400 0.126 0.000 1.112 227 E CB 0.231 30.013 29.700 0.138 0.000 1.168 227 E HN 0.595 nan 8.360 nan 0.000 0.445 228 I N -3.561 117.086 120.570 0.128 0.000 3.145 228 I HA 0.444 4.614 4.170 -0.000 0.000 0.313 228 I C -0.653 175.549 176.117 0.142 0.000 1.122 228 I CA -1.187 60.184 61.300 0.119 0.000 0.987 228 I CB 2.097 40.159 38.000 0.104 0.000 1.236 228 I HN -0.251 nan 8.210 nan 0.000 0.453 229 N N 2.251 121.018 118.700 0.111 0.000 2.425 229 N HA 0.575 5.315 4.740 -0.000 0.000 0.268 229 N C -1.311 174.263 175.510 0.107 0.000 0.991 229 N CA -0.346 52.761 53.050 0.094 0.000 0.931 229 N CB 2.036 40.568 38.487 0.075 0.000 1.130 229 N HN 0.614 nan 8.380 nan 0.000 0.493 230 V N 0.379 120.351 119.914 0.096 0.000 2.789 230 V HA 0.466 4.586 4.120 -0.000 0.000 0.311 230 V C -0.267 175.921 176.094 0.157 0.000 1.073 230 V CA -1.118 61.256 62.300 0.123 0.000 0.921 230 V CB 1.670 33.575 31.823 0.137 0.000 1.009 230 V HN 0.633 nan 8.190 nan 0.000 0.426 231 D N 2.655 123.146 120.400 0.152 0.000 2.414 231 D HA 0.218 4.858 4.640 -0.000 0.000 0.251 231 D C 0.847 177.297 176.300 0.249 0.000 1.252 231 D CA -0.249 53.843 54.000 0.154 0.000 0.999 231 D CB 0.867 41.716 40.800 0.081 0.000 1.093 231 D HN 0.569 nan 8.370 nan 0.000 0.515 232 K N -0.736 119.755 120.400 0.151 0.000 2.063 232 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 232 K C 1.714 178.456 176.600 0.236 0.000 1.048 232 K CA 1.301 57.691 56.287 0.171 0.000 0.928 232 K CB -0.111 32.357 32.500 -0.053 0.000 0.713 232 K HN 0.333 nan 8.250 nan 0.000 0.442 233 N N 0.741 119.531 118.700 0.150 0.000 2.188 233 N HA -0.150 4.590 4.740 -0.000 0.000 0.184 233 N C 1.662 177.293 175.510 0.202 0.000 1.018 233 N CA 0.871 54.006 53.050 0.141 0.000 0.858 233 N CB -0.144 38.389 38.487 0.078 0.000 0.989 233 N HN 0.071 nan 8.380 nan 0.000 0.426 234 L N 0.081 121.429 121.223 0.209 0.000 2.179 234 L HA 0.073 4.413 4.340 -0.000 0.000 0.208 234 L C 1.920 178.995 176.870 0.342 0.000 1.096 234 L CA 0.950 55.943 54.840 0.255 0.000 0.779 234 L CB -0.647 41.526 42.059 0.190 0.000 0.922 234 L HN -0.003 nan 8.230 nan 0.000 0.443 235 F N 0.291 120.327 119.950 0.143 0.000 2.113 235 F HA -0.175 4.352 4.527 0.000 0.000 0.297 235 F C 2.719 178.607 175.800 0.147 0.000 1.103 235 F CA 1.838 59.861 58.000 0.037 0.000 1.248 235 F CB -0.333 38.599 39.000 -0.115 0.000 0.999 235 F HN 0.024 nan 8.300 nan 0.000 0.475 236 R N -0.656 119.956 120.500 0.186 0.000 2.091 236 R HA -0.239 4.101 4.340 -0.000 0.000 0.238 236 R C 2.393 178.712 176.300 0.031 0.000 1.136 236 R CA 1.985 58.106 56.100 0.035 0.000 0.959 236 R CB -0.883 29.479 30.300 0.103 0.000 0.856 236 R HN 0.428 nan 8.270 nan 0.000 0.437 237 F N 0.587 120.545 119.950 0.012 0.000 2.171 237 F HA -0.203 4.324 4.527 -0.000 0.000 0.300 237 F C 1.847 177.629 175.800 -0.029 0.000 1.090 237 F CA 1.372 59.381 58.000 0.016 0.000 1.293 237 F CB -0.578 38.458 39.000 0.059 0.000 1.013 237 F HN 0.051 nan 8.300 nan 0.000 0.486 238 F N 0.409 120.300 119.950 -0.099 0.000 2.065 238 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 238 F C 1.887 177.409 175.800 -0.463 0.000 1.112 238 F CA 1.763 59.619 58.000 -0.239 0.000 1.212 238 F CB -0.760 38.205 39.000 -0.059 0.000 0.975 238 F HN -0.017 nan 8.300 nan 0.000 0.476 239 L N 0.875 121.742 121.223 -0.594 0.000 2.017 239 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 239 L C 2.411 178.624 176.870 -1.095 0.000 1.073 239 L CA 1.922 56.158 54.840 -1.007 0.000 0.745 239 L CB -1.453 40.123 42.059 -0.805 0.000 0.894 239 L HN 0.260 nan 8.230 nan 0.000 0.432 240 E N -1.465 118.411 120.200 -0.541 0.000 2.085 240 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 240 E C 1.951 178.425 176.600 -0.210 0.000 0.994 240 E CA 1.892 58.183 56.400 -0.181 0.000 0.801 240 E CB -0.105 29.577 29.700 -0.030 0.000 0.743 240 E HN 0.488 nan 8.360 nan 0.000 0.453 241 T N 1.208 115.468 114.554 -0.490 0.000 2.812 241 T HA -0.097 4.253 4.350 -0.000 0.000 0.264 241 T C 1.812 176.308 174.700 -0.340 0.000 1.042 241 T CA 0.636 62.474 62.100 -0.437 0.000 1.140 241 T CB -0.207 68.205 68.868 -0.760 0.000 0.870 241 T HN 0.039 nan 8.240 nan 0.000 0.445 242 L N 0.951 121.810 121.223 -0.606 0.000 1.989 242 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 242 L C 1.957 178.702 176.870 -0.207 0.000 1.071 242 L CA 1.906 56.413 54.840 -0.556 0.000 0.749 242 L CB -1.009 40.510 42.059 -0.901 0.000 0.890 242 L HN 0.103 nan 8.230 nan 0.000 0.431 243 F N -0.984 118.789 119.950 -0.296 0.000 2.095 243 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 243 F C 2.572 178.229 175.800 -0.238 0.000 1.104 243 F CA 1.607 59.363 58.000 -0.406 0.000 1.232 243 F CB -1.666 36.882 39.000 -0.752 0.000 0.987 243 F HN 0.232 nan 8.300 nan 0.000 0.475 244 Y N 1.057 121.443 120.300 0.143 0.000 2.200 244 Y HA -0.135 4.415 4.550 -0.000 0.000 0.290 244 Y C 2.297 178.276 175.900 0.132 0.000 1.137 244 Y CA 1.595 59.854 58.100 0.265 0.000 1.163 244 Y CB -0.254 38.340 38.460 0.223 0.000 0.988 244 Y HN -0.042 nan 8.280 nan 0.000 0.518 245 E N -0.770 119.504 120.200 0.123 0.000 2.106 245 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 245 E C 1.962 178.608 176.600 0.077 0.000 0.984 245 E CA 1.028 57.450 56.400 0.036 0.000 0.806 245 E CB -0.791 28.925 29.700 0.027 0.000 0.750 245 E HN 0.537 nan 8.360 nan 0.000 0.458 246 Y N 1.300 121.556 120.300 -0.075 0.000 2.145 246 Y HA -0.088 4.462 4.550 -0.000 0.000 0.286 246 Y C 1.136 177.116 175.900 0.132 0.000 1.145 246 Y CA 0.472 58.564 58.100 -0.014 0.000 1.148 246 Y CB -0.397 38.048 38.460 -0.025 0.000 0.981 246 Y HN -0.000 nan 8.280 nan 0.000 0.507 247 M N 1.485 121.095 119.600 0.017 0.000 2.284 247 M HA 0.063 4.543 4.480 -0.000 0.000 0.351 247 M C -0.619 175.640 176.300 -0.069 0.000 1.443 247 M CA 0.819 56.020 55.300 -0.165 0.000 1.031 247 M CB 0.004 32.317 32.600 -0.478 0.000 1.893 247 M HN 0.073 nan 8.290 nan 0.000 0.456 248 T N 4.435 119.014 114.554 0.042 0.000 2.779 248 T HA 0.242 4.592 4.350 -0.000 0.000 0.280 248 T C -0.951 173.792 174.700 0.071 0.000 0.987 248 T CA -0.610 61.514 62.100 0.039 0.000 0.966 248 T CB 0.742 69.614 68.868 0.006 0.000 0.933 248 T HN 0.564 nan 8.240 nan 0.000 0.442 249 D N 2.597 123.052 120.400 0.091 0.000 2.365 249 D HA 0.130 4.770 4.640 -0.000 0.000 0.237 249 D C 0.485 176.812 176.300 0.045 0.000 1.190 249 D CA -0.195 53.875 54.000 0.116 0.000 0.867 249 D CB 0.715 41.578 40.800 0.106 0.000 1.050 249 D HN 0.527 nan 8.370 nan 0.000 0.491 250 E N 2.839 123.043 120.200 0.006 0.000 2.624 250 E HA 0.098 4.448 4.350 -0.000 0.000 0.210 250 E C 1.379 177.916 176.600 -0.106 0.000 0.997 250 E CA -0.198 56.188 56.400 -0.023 0.000 0.999 250 E CB 0.672 30.362 29.700 -0.017 0.000 1.040 250 E HN 0.395 nan 8.360 nan 0.000 0.469 251 R N -0.012 120.356 120.500 -0.219 0.000 2.139 251 R HA -0.118 4.222 4.340 -0.000 0.000 0.243 251 R C 1.049 176.938 176.300 -0.685 0.000 1.145 251 R CA 1.383 57.174 56.100 -0.514 0.000 0.976 251 R CB -0.127 29.687 30.300 -0.809 0.000 0.866 251 R HN 0.126 nan 8.270 nan 0.000 0.449 252 F N 0.558 120.435 119.950 -0.121 0.000 2.693 252 F HA 0.178 4.705 4.527 -0.000 0.000 0.303 252 F C 0.522 176.286 175.800 -0.059 0.000 1.097 252 F CA -0.135 57.791 58.000 -0.123 0.000 1.330 252 F CB 0.286 39.185 39.000 -0.167 0.000 1.067 252 F HN -0.357 nan 8.300 nan 0.000 0.565 253 K N 0.261 120.687 120.400 0.043 0.000 2.174 253 K HA 0.361 4.681 4.320 -0.000 0.000 0.275 253 K C 0.724 177.331 176.600 0.012 0.000 1.015 253 K CA 0.051 56.358 56.287 0.033 0.000 0.933 253 K CB 2.108 34.614 32.500 0.010 0.000 1.025 253 K HN 0.062 nan 8.250 nan 0.000 0.463 254 S N 0.388 116.101 115.700 0.021 0.000 4.207 254 S HA -0.073 4.397 4.470 -0.000 0.000 0.177 254 S C 1.331 175.937 174.600 0.011 0.000 0.981 254 S CA 0.592 58.801 58.200 0.016 0.000 1.097 254 S CB -0.326 62.893 63.200 0.032 0.000 1.525 254 S HN 0.677 nan 8.310 nan 0.000 0.686 255 T N -0.935 113.627 114.554 0.014 0.000 3.148 255 T HA 0.192 4.542 4.350 -0.000 0.000 0.253 255 T C 0.454 175.156 174.700 0.004 0.000 1.134 255 T CA 1.323 63.427 62.100 0.008 0.000 1.051 255 T CB -0.114 68.759 68.868 0.009 0.000 0.959 255 T HN 0.358 nan 8.240 nan 0.000 0.525 256 D N 0.294 120.696 120.400 0.004 0.000 2.673 256 D HA 0.242 4.882 4.640 -0.000 0.000 0.278 256 D C -0.312 175.983 176.300 -0.007 0.000 1.393 256 D CA -0.512 53.487 54.000 -0.001 0.000 0.805 256 D CB 0.200 41.002 40.800 0.004 0.000 1.110 256 D HN 0.271 nan 8.370 nan 0.000 0.476 257 K N 0.696 121.090 120.400 -0.009 0.000 2.436 257 K HA 0.097 4.417 4.320 -0.000 0.000 0.275 257 K C 0.595 177.180 176.600 -0.026 0.000 0.999 257 K CA -0.286 55.991 56.287 -0.017 0.000 0.980 257 K CB 0.523 33.013 32.500 -0.016 0.000 0.919 257 K HN 0.148 nan 8.250 nan 0.000 0.484 263 Y N 0.612 120.880 120.300 -0.054 0.000 2.409 263 Y HA 0.617 5.167 4.550 -0.000 0.000 0.339 263 Y C 1.420 177.352 175.900 0.054 0.000 1.033 263 Y CA -0.951 57.110 58.100 -0.065 0.000 1.094 263 Y CB 1.691 39.994 38.460 -0.261 0.000 1.210 263 Y HN 0.841 nan 8.280 nan 0.000 0.456 264 I N 0.699 121.469 120.570 0.333 0.000 3.003 264 I HA 0.017 4.187 4.170 -0.000 0.000 0.294 264 I C 0.375 176.567 176.117 0.126 0.000 1.237 264 I CA -0.130 61.299 61.300 0.215 0.000 1.417 264 I CB 0.788 38.909 38.000 0.203 0.000 1.340 264 I HN 0.571 nan 8.210 nan 0.000 0.594 265 K N 3.135 123.570 120.400 0.059 0.000 2.354 265 K HA 0.260 4.580 4.320 -0.000 0.000 0.194 265 K C -0.099 176.256 176.600 -0.408 0.000 1.038 265 K CA 0.494 56.695 56.287 -0.143 0.000 1.052 265 K CB 0.112 32.531 32.500 -0.135 0.000 0.861 265 K HN 0.692 nan 8.250 nan 0.000 0.535 266 H N -0.180 118.923 119.070 0.056 0.000 2.771 266 H HA 0.346 4.902 4.556 -0.000 0.000 0.361 266 H C -1.301 174.067 175.328 0.067 0.000 1.108 266 H CA -1.023 55.058 56.048 0.055 0.000 1.201 266 H CB 2.265 32.062 29.762 0.059 0.000 1.681 266 H HN -0.139 nan 8.280 nan 0.000 0.534 267 L N 1.804 123.128 121.223 0.169 0.000 2.406 267 L HA 0.600 4.940 4.340 -0.000 0.000 0.272 267 L C -0.413 176.533 176.870 0.126 0.000 0.980 267 L CA -0.188 54.736 54.840 0.141 0.000 0.831 267 L CB 1.710 43.855 42.059 0.142 0.000 1.253 267 L HN 0.768 nan 8.230 nan 0.000 0.406 268 G N 4.135 113.021 108.800 0.144 0.000 2.415 268 G HA2 0.629 4.589 3.960 -0.000 0.000 0.327 268 G HA3 0.629 4.589 3.960 -0.000 0.000 0.327 268 G C -1.616 173.368 174.900 0.140 0.000 1.182 268 G CA -0.504 44.679 45.100 0.138 0.000 0.924 268 G HN 0.478 nan 8.290 nan 0.000 0.470 269 V N 2.477 122.416 119.914 0.042 0.000 2.483 269 V HA 0.352 4.472 4.120 -0.000 0.000 0.297 269 V C -1.257 174.870 176.094 0.056 0.000 1.027 269 V CA -0.816 61.574 62.300 0.150 0.000 0.855 269 V CB 1.243 33.201 31.823 0.226 0.000 0.995 269 V HN 0.675 nan 8.190 nan 0.000 0.424 270 Y N 5.344 125.748 120.300 0.172 0.000 2.331 270 Y HA 0.760 5.310 4.550 -0.000 0.000 0.338 270 Y C 0.065 176.022 175.900 0.094 0.000 0.976 270 Y CA -0.374 57.812 58.100 0.143 0.000 1.137 270 Y CB 1.695 40.220 38.460 0.108 0.000 1.172 270 Y HN 0.583 nan 8.280 nan 0.000 0.478 271 I N 2.112 122.750 120.570 0.113 0.000 3.102 271 I HA 0.362 4.532 4.170 -0.000 0.000 0.310 271 I C -1.203 174.902 176.117 -0.021 0.000 1.246 271 I CA -0.895 60.373 61.300 -0.052 0.000 0.979 271 I CB 2.061 39.758 38.000 -0.506 0.000 1.267 271 I HN 0.574 nan 8.210 nan 0.000 0.451 272 N N 4.459 123.146 118.700 -0.021 0.000 2.513 272 N HA 0.213 4.953 4.740 -0.000 0.000 0.268 272 N C -0.696 174.859 175.510 0.075 0.000 1.180 272 N CA 0.105 53.179 53.050 0.040 0.000 0.948 272 N CB 0.171 38.688 38.487 0.050 0.000 1.083 272 N HN 0.560 nan 8.380 nan 0.000 0.455 273 N N 0.652 119.390 118.700 0.064 0.000 2.738 273 N HA -0.235 4.505 4.740 -0.000 0.000 0.249 273 N C 0.464 176.017 175.510 0.070 0.000 1.047 273 N CA 0.625 53.704 53.050 0.048 0.000 0.707 273 N CB -1.282 37.220 38.487 0.025 0.000 0.937 273 N HN 0.683 nan 8.380 nan 0.000 0.545 274 A N 0.173 123.021 122.820 0.047 0.000 1.948 274 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 274 A C 1.859 179.437 177.584 -0.010 0.000 1.177 274 A CA 1.968 54.015 52.037 0.017 0.000 0.636 274 A CB -0.138 18.848 19.000 -0.023 0.000 0.815 274 A HN 0.361 nan 8.150 nan 0.000 0.449 275 D N -1.236 119.146 120.400 -0.030 0.000 2.190 275 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 275 D C 1.877 178.119 176.300 -0.098 0.000 0.992 275 D CA 1.747 55.715 54.000 -0.053 0.000 0.854 275 D CB -0.438 40.337 40.800 -0.042 0.000 0.936 275 D HN 0.409 nan 8.370 nan 0.000 0.462 276 T N -1.334 113.122 114.554 -0.162 0.000 3.055 276 T HA -0.088 4.262 4.350 -0.000 0.000 0.265 276 T C 1.121 175.563 174.700 -0.431 0.000 1.111 276 T CA 0.564 62.484 62.100 -0.299 0.000 1.118 276 T CB -0.018 68.625 68.868 -0.376 0.000 0.909 276 T HN 0.167 nan 8.240 nan 0.000 0.501 277 Y N 0.624 120.764 120.300 -0.268 0.000 2.497 277 Y HA 0.378 4.928 4.550 -0.000 0.000 0.265 277 Y C 2.196 177.979 175.900 -0.195 0.000 1.111 277 Y CA -0.087 57.780 58.100 -0.388 0.000 1.288 277 Y CB 0.176 38.069 38.460 -0.944 0.000 1.082 277 Y HN 0.074 nan 8.280 nan 0.000 0.536 278 K N 0.557 120.951 120.400 -0.011 0.000 2.160 278 K HA -0.239 4.081 4.320 -0.000 0.000 0.206 278 K C 2.204 178.832 176.600 0.047 0.000 1.047 278 K CA 1.652 57.950 56.287 0.019 0.000 0.930 278 K CB -0.150 32.338 32.500 -0.020 0.000 0.720 278 K HN 0.501 nan 8.250 nan 0.000 0.450 279 E N 1.601 121.810 120.200 0.014 0.000 2.274 279 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 279 E C 1.622 178.251 176.600 0.049 0.000 0.996 279 E CA 0.960 57.368 56.400 0.013 0.000 0.840 279 E CB -0.344 29.341 29.700 -0.024 0.000 0.772 279 E HN 0.297 nan 8.360 nan 0.000 0.491 280 E N 0.186 120.457 120.200 0.119 0.000 2.285 280 E HA -0.039 4.311 4.350 -0.000 0.000 0.194 280 E C 2.309 179.005 176.600 0.160 0.000 0.997 280 E CA 0.883 57.383 56.400 0.166 0.000 0.845 280 E CB -0.122 29.798 29.700 0.367 0.000 0.782 280 E HN 0.461 nan 8.360 nan 0.000 0.491 281 V N 2.004 122.037 119.914 0.199 0.000 2.233 281 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 281 V C 2.234 178.418 176.094 0.150 0.000 1.050 281 V CA 1.894 64.299 62.300 0.175 0.000 1.010 281 V CB -0.337 31.584 31.823 0.164 0.000 0.637 281 V HN 0.161 nan 8.190 nan 0.000 0.444 282 E N -0.227 120.037 120.200 0.107 0.000 2.158 282 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 282 E C 2.140 178.797 176.600 0.096 0.000 0.982 282 E CA 0.797 57.261 56.400 0.106 0.000 0.823 282 E CB -0.262 29.483 29.700 0.075 0.000 0.766 282 E HN 0.594 nan 8.360 nan 0.000 0.468 283 K N 0.960 121.375 120.400 0.025 0.000 2.032 283 K HA -0.133 4.187 4.320 -0.000 0.000 0.209 283 K C 2.049 178.596 176.600 -0.089 0.000 1.048 283 K CA 1.396 57.627 56.287 -0.093 0.000 0.927 283 K CB -0.075 32.301 32.500 -0.205 0.000 0.712 283 K HN 0.055 nan 8.250 nan 0.000 0.441 284 A N 1.243 124.069 122.820 0.011 0.000 1.933 284 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 284 A C 2.115 179.928 177.584 0.382 0.000 1.175 284 A CA 1.767 53.878 52.037 0.123 0.000 0.628 284 A CB -0.545 18.465 19.000 0.017 0.000 0.814 284 A HN 0.407 nan 8.150 nan 0.000 0.444 285 R N -0.587 120.151 120.500 0.396 0.000 2.096 285 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 285 R C 1.816 178.424 176.300 0.513 0.000 1.127 285 R CA 1.676 58.031 56.100 0.425 0.000 0.968 285 R CB -0.425 30.004 30.300 0.215 0.000 0.861 285 R HN 0.283 nan 8.270 nan 0.000 0.440 286 V N -0.189 119.993 119.914 0.447 0.000 2.379 286 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 286 V C 1.818 178.308 176.094 0.660 0.000 1.044 286 V CA 1.472 64.112 62.300 0.568 0.000 1.036 286 V CB -0.630 31.414 31.823 0.369 0.000 0.664 286 V HN 0.303 nan 8.190 nan 0.000 0.453 287 Y N -0.203 120.280 120.300 0.304 0.000 2.224 287 Y HA -0.234 4.316 4.550 -0.000 0.000 0.289 287 Y C 2.498 178.538 175.900 0.233 0.000 1.146 287 Y CA 1.272 59.507 58.100 0.226 0.000 1.182 287 Y CB -1.165 37.395 38.460 0.166 0.000 0.983 287 Y HN 0.492 nan 8.280 nan 0.000 0.524 288 Y N -0.772 119.767 120.300 0.397 0.000 2.181 288 Y HA -0.284 4.266 4.550 -0.000 0.000 0.288 288 Y C 2.255 178.351 175.900 0.326 0.000 1.146 288 Y CA 1.519 59.818 58.100 0.333 0.000 1.164 288 Y CB -1.171 37.526 38.460 0.395 0.000 0.982 288 Y HN 0.030 nan 8.280 nan 0.000 0.515 289 F N 1.150 120.891 119.950 -0.349 0.000 2.206 289 F HA 0.091 4.618 4.527 -0.000 0.000 0.298 289 F C 2.425 178.075 175.800 -0.250 0.000 1.090 289 F CA 1.541 59.238 58.000 -0.505 0.000 1.323 289 F CB -0.864 37.994 39.000 -0.237 0.000 1.028 289 F HN 0.129 nan 8.300 nan 0.000 0.492 290 G N -0.883 107.871 108.800 -0.076 0.000 2.440 290 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 290 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 290 G C 1.663 176.470 174.900 -0.156 0.000 1.154 290 G CA 1.489 46.569 45.100 -0.033 0.000 0.767 290 G HN 0.378 nan 8.290 nan 0.000 0.552 291 T N -0.487 113.986 114.554 -0.136 0.000 2.812 291 T HA -0.099 4.251 4.350 -0.000 0.000 0.264 291 T C 1.991 176.642 174.700 -0.081 0.000 1.042 291 T CA 1.148 63.166 62.100 -0.136 0.000 1.140 291 T CB -0.270 68.493 68.868 -0.175 0.000 0.870 291 T HN 0.324 nan 8.240 nan 0.000 0.445 292 Y N 0.679 120.815 120.300 -0.272 0.000 2.242 292 Y HA -0.106 4.444 4.550 -0.000 0.000 0.291 292 Y C 2.186 177.849 175.900 -0.395 0.000 1.137 292 Y CA 0.564 58.529 58.100 -0.226 0.000 1.181 292 Y CB -0.577 37.599 38.460 -0.473 0.000 0.989 292 Y HN 0.286 nan 8.280 nan 0.000 0.527 293 Y N 0.305 120.036 120.300 -0.947 0.000 2.128 293 Y HA -0.244 4.306 4.550 -0.000 0.000 0.284 293 Y C 2.500 178.103 175.900 -0.495 0.000 1.154 293 Y CA 2.013 59.580 58.100 -0.889 0.000 1.149 293 Y CB -0.898 36.926 38.460 -1.060 0.000 0.976 293 Y HN 0.130 nan 8.280 nan 0.000 0.505 294 A N -0.818 121.828 122.820 -0.290 0.000 1.908 294 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 294 A C 2.510 179.943 177.584 -0.251 0.000 1.181 294 A CA 2.202 54.102 52.037 -0.228 0.000 0.627 294 A CB -1.522 17.423 19.000 -0.091 0.000 0.818 294 A HN 0.548 nan 8.150 nan 0.000 0.445 295 S N -0.829 114.733 115.700 -0.229 0.000 2.368 295 S HA -0.254 4.216 4.470 -0.000 0.000 0.225 295 S C 2.150 176.587 174.600 -0.271 0.000 1.030 295 S CA 1.767 59.870 58.200 -0.163 0.000 0.999 295 S CB -0.430 62.779 63.200 0.015 0.000 0.844 295 S HN 0.678 nan 8.310 nan 0.000 0.459 296 Q N 0.191 119.684 119.800 -0.511 0.000 2.096 296 Q HA -0.073 4.266 4.340 -0.000 0.000 0.204 296 Q C 2.302 178.123 176.000 -0.299 0.000 0.982 296 Q CA 1.739 57.265 55.803 -0.462 0.000 0.850 296 Q CB -0.333 28.023 28.738 -0.636 0.000 0.901 296 Q HN 0.558 nan 8.270 nan 0.000 0.422 297 L N -0.044 120.955 121.223 -0.374 0.000 2.056 297 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 297 L C 2.272 179.079 176.870 -0.106 0.000 1.078 297 L CA 0.880 55.564 54.840 -0.260 0.000 0.749 297 L CB -0.395 41.469 42.059 -0.326 0.000 0.901 297 L HN 0.231 nan 8.230 nan 0.000 0.433 298 I N 0.125 120.655 120.570 -0.067 0.000 2.163 298 I HA -0.230 3.940 4.170 -0.000 0.000 0.240 298 I C 2.830 179.031 176.117 0.140 0.000 1.081 298 I CA 1.178 62.520 61.300 0.068 0.000 1.353 298 I CB -0.521 37.560 38.000 0.135 0.000 1.054 298 I HN 0.155 nan 8.210 nan 0.000 0.407 299 A N 1.053 123.949 122.820 0.126 0.000 1.978 299 A HA 0.033 4.353 4.320 -0.000 0.000 0.220 299 A C 1.634 179.230 177.584 0.021 0.000 1.170 299 A CA 0.957 53.086 52.037 0.153 0.000 0.636 299 A CB -0.879 18.188 19.000 0.111 0.000 0.810 299 A HN 0.384 nan 8.150 nan 0.000 0.448 300 A N 0.903 123.731 122.820 0.014 0.000 2.561 300 A HA 0.416 4.736 4.320 -0.000 0.000 0.251 300 A C -2.209 175.313 177.584 -0.103 0.000 1.062 300 A CA -0.733 51.277 52.037 -0.046 0.000 0.761 300 A CB -0.474 18.579 19.000 0.089 0.000 0.986 300 A HN 0.301 nan 8.150 nan 0.000 0.510 301 P HA 0.145 nan 4.420 nan 0.000 0.272 301 P C 0.872 178.169 177.300 -0.005 0.000 1.230 301 P CA -0.190 62.838 63.100 -0.119 0.000 0.788 301 P CB 0.675 32.269 31.700 -0.177 0.000 0.949 302 S N 0.889 116.575 115.700 -0.022 0.000 2.419 302 S HA -0.143 4.327 4.470 -0.000 0.000 0.233 302 S C 1.569 176.126 174.600 -0.072 0.000 1.016 302 S CA 1.282 59.466 58.200 -0.028 0.000 0.974 302 S CB -0.914 62.258 63.200 -0.047 0.000 0.786 302 S HN 0.655 nan 8.310 nan 0.000 0.492 303 N N 0.811 119.473 118.700 -0.064 0.000 2.244 303 N HA -0.155 4.585 4.740 -0.000 0.000 0.183 303 N C 1.293 176.722 175.510 -0.134 0.000 1.016 303 N CA 1.401 54.400 53.050 -0.085 0.000 0.866 303 N CB -0.727 37.696 38.487 -0.106 0.000 0.980 303 N HN 0.482 nan 8.380 nan 0.000 0.430 304 Y N 0.362 120.627 120.300 -0.059 0.000 2.231 304 Y HA 0.151 4.701 4.550 -0.000 0.000 0.294 304 Y C 1.184 177.053 175.900 -0.052 0.000 1.120 304 Y CA 0.501 58.597 58.100 -0.007 0.000 1.141 304 Y CB -0.044 38.471 38.460 0.092 0.000 1.022 304 Y HN 0.142 nan 8.280 nan 0.000 0.523 305 C N 2.993 122.343 119.300 0.083 0.000 2.206 305 C HA 0.482 4.942 4.460 -0.000 0.000 0.324 305 C C -0.325 174.600 174.990 -0.108 0.000 1.120 305 C CA -0.881 58.133 59.018 -0.007 0.000 1.546 305 C CB -2.497 25.250 27.740 0.012 0.000 2.023 305 C HN 0.556 nan 8.230 nan 0.000 0.448 306 N N 4.184 122.747 118.700 -0.228 0.000 2.701 306 N HA 0.659 5.399 4.740 -0.000 0.000 0.290 306 N C -2.594 172.758 175.510 -0.264 0.000 1.338 306 N CA -1.716 51.078 53.050 -0.426 0.000 0.799 306 N CB 0.704 38.498 38.487 -1.155 0.000 1.491 306 N HN 0.049 nan 8.380 nan 0.000 0.540 307 P HA -0.063 nan 4.420 nan 0.000 0.220 307 P C 0.908 178.204 177.300 -0.008 0.000 1.148 307 P CA 0.700 63.778 63.100 -0.037 0.000 0.803 307 P CB 0.241 31.977 31.700 0.061 0.000 0.782 308 V N 0.042 119.941 119.914 -0.024 0.000 2.346 308 V HA -0.176 3.944 4.120 -0.000 0.000 0.244 308 V C 2.540 178.637 176.094 0.005 0.000 1.037 308 V CA 2.277 64.597 62.300 0.032 0.000 1.029 308 V CB -1.641 30.233 31.823 0.086 0.000 0.663 308 V HN 0.243 nan 8.190 nan 0.000 0.454 309 S N 0.680 116.355 115.700 -0.041 0.000 2.383 309 S HA -0.173 4.297 4.470 -0.000 0.000 0.227 309 S C 1.969 176.565 174.600 -0.006 0.000 1.026 309 S CA 1.664 59.853 58.200 -0.017 0.000 0.981 309 S CB -0.554 62.629 63.200 -0.029 0.000 0.818 309 S HN 0.389 nan 8.310 nan 0.000 0.472 310 L N 2.783 123.991 121.223 -0.024 0.000 2.109 310 L HA 0.042 4.382 4.340 -0.000 0.000 0.207 310 L C 2.580 179.458 176.870 0.013 0.000 1.086 310 L CA 2.091 56.923 54.840 -0.014 0.000 0.760 310 L CB -0.979 41.062 42.059 -0.030 0.000 0.910 310 L HN 0.564 nan 8.230 nan 0.000 0.437 311 S N -1.167 114.548 115.700 0.025 0.000 2.406 311 S HA -0.110 4.360 4.470 -0.000 0.000 0.228 311 S C 1.824 176.448 174.600 0.039 0.000 1.020 311 S CA 0.906 59.134 58.200 0.046 0.000 0.965 311 S CB -0.766 62.477 63.200 0.072 0.000 0.798 311 S HN 0.496 nan 8.310 nan 0.000 0.488 312 N N 2.845 121.565 118.700 0.033 0.000 2.120 312 N HA 0.082 4.822 4.740 -0.000 0.000 0.188 312 N C 1.998 177.523 175.510 0.025 0.000 1.024 312 N CA 1.562 54.627 53.050 0.025 0.000 0.852 312 N CB -1.041 37.465 38.487 0.032 0.000 1.003 312 N HN 0.589 nan 8.380 nan 0.000 0.424 313 A N 0.897 123.745 122.820 0.047 0.000 1.908 313 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 313 A C 2.340 179.989 177.584 0.110 0.000 1.181 313 A CA 2.119 54.211 52.037 0.092 0.000 0.627 313 A CB -0.949 18.096 19.000 0.075 0.000 0.818 313 A HN 0.328 nan 8.150 nan 0.000 0.445 314 A N -0.723 122.141 122.820 0.075 0.000 1.933 314 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 314 A C 2.236 179.796 177.584 -0.040 0.000 1.175 314 A CA 1.746 53.821 52.037 0.063 0.000 0.628 314 A CB -0.901 18.140 19.000 0.068 0.000 0.814 314 A HN 0.390 nan 8.150 nan 0.000 0.444 315 V N -0.125 119.711 119.914 -0.129 0.000 2.295 315 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 315 V C 2.498 178.385 176.094 -0.346 0.000 1.049 315 V CA 2.315 64.359 62.300 -0.426 0.000 1.024 315 V CB -0.665 30.936 31.823 -0.370 0.000 0.648 315 V HN 0.685 nan 8.190 nan 0.000 0.447 316 E N -0.451 119.670 120.200 -0.130 0.000 2.077 316 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 316 E C 2.179 178.756 176.600 -0.038 0.000 0.989 316 E CA 1.433 57.800 56.400 -0.055 0.000 0.800 316 E CB -0.123 29.612 29.700 0.057 0.000 0.746 316 E HN 0.433 nan 8.360 nan 0.000 0.452 317 L N 0.794 122.032 121.223 0.025 0.000 2.012 317 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 317 L C 2.235 179.084 176.870 -0.034 0.000 1.073 317 L CA 2.275 57.125 54.840 0.017 0.000 0.748 317 L CB -0.656 41.422 42.059 0.032 0.000 0.891 317 L HN 0.091 nan 8.230 nan 0.000 0.431 318 A N -1.270 121.516 122.820 -0.056 0.000 1.902 318 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 318 A C 2.209 179.810 177.584 0.028 0.000 1.181 318 A CA 1.942 53.980 52.037 0.001 0.000 0.623 318 A CB -0.637 18.376 19.000 0.021 0.000 0.818 318 A HN 0.667 nan 8.150 nan 0.000 0.443 319 Q N -0.422 119.343 119.800 -0.058 0.000 2.124 319 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 319 Q C 1.957 177.949 176.000 -0.014 0.000 0.977 319 Q CA 1.669 57.474 55.803 0.003 0.000 0.850 319 Q CB -0.158 28.556 28.738 -0.040 0.000 0.901 319 Q HN 0.655 nan 8.270 nan 0.000 0.429 320 K N 0.130 120.495 120.400 -0.059 0.000 2.283 320 K HA -0.058 4.262 4.320 -0.000 0.000 0.202 320 K C 1.499 178.071 176.600 -0.046 0.000 1.048 320 K CA 0.723 56.958 56.287 -0.086 0.000 0.948 320 K CB 0.178 32.572 32.500 -0.177 0.000 0.742 320 K HN 0.183 nan 8.250 nan 0.000 0.458 321 L N 0.427 121.641 121.223 -0.016 0.000 2.640 321 L HA 0.101 4.441 4.340 -0.000 0.000 0.230 321 L C 0.123 177.015 176.870 0.036 0.000 1.123 321 L CA -0.160 54.678 54.840 -0.002 0.000 0.900 321 L CB -0.114 41.936 42.059 -0.014 0.000 1.146 321 L HN 0.238 nan 8.230 nan 0.000 0.484 322 N N 1.338 120.067 118.700 0.048 0.000 2.721 322 N HA -0.179 4.561 4.740 -0.000 0.000 0.249 322 N C -0.292 175.279 175.510 0.102 0.000 1.072 322 N CA 0.487 53.580 53.050 0.072 0.000 0.710 322 N CB -0.787 37.728 38.487 0.047 0.000 0.993 322 N HN 0.293 nan 8.380 nan 0.000 0.547 323 L N 0.784 122.091 121.223 0.140 0.000 2.399 323 L HA 0.176 4.516 4.340 -0.000 0.000 0.266 323 L C 1.006 178.000 176.870 0.206 0.000 1.114 323 L CA -0.465 54.480 54.840 0.175 0.000 0.804 323 L CB 0.999 43.172 42.059 0.191 0.000 1.146 323 L HN -0.048 nan 8.230 nan 0.000 0.451 324 E N 0.722 121.004 120.200 0.137 0.000 2.383 324 E HA 0.241 4.591 4.350 -0.000 0.000 0.264 324 E C -1.122 175.571 176.600 0.156 0.000 1.050 324 E CA -0.004 56.430 56.400 0.057 0.000 0.896 324 E CB 1.074 30.773 29.700 -0.002 0.000 0.982 324 E HN 0.444 nan 8.360 nan 0.000 0.424 325 Y N -1.574 118.762 120.300 0.060 0.000 2.581 325 Y HA 0.729 5.279 4.550 -0.000 0.000 0.337 325 Y C -0.785 175.157 175.900 0.070 0.000 1.108 325 Y CA -1.414 56.741 58.100 0.091 0.000 1.033 325 Y CB 1.686 40.208 38.460 0.104 0.000 1.318 325 Y HN 0.460 nan 8.280 nan 0.000 0.459 326 K N 3.095 123.645 120.400 0.250 0.000 2.535 326 K HA 0.623 4.943 4.320 -0.000 0.000 0.251 326 K C -2.187 174.604 176.600 0.319 0.000 0.942 326 K CA -0.658 55.747 56.287 0.197 0.000 0.798 326 K CB 1.547 34.103 32.500 0.092 0.000 1.267 326 K HN 0.746 nan 8.250 nan 0.000 0.434 327 I N 5.860 126.603 120.570 0.288 0.000 2.362 327 I HA 0.311 4.481 4.170 -0.000 0.000 0.289 327 I C -0.373 175.879 176.117 0.225 0.000 0.994 327 I CA -0.725 60.735 61.300 0.267 0.000 1.158 327 I CB 1.206 39.339 38.000 0.221 0.000 1.315 327 I HN 0.567 nan 8.210 nan 0.000 0.451 328 L N 5.713 127.088 121.223 0.253 0.000 2.275 328 L HA 0.621 4.960 4.340 -0.000 0.000 0.288 328 L C 0.906 177.888 176.870 0.185 0.000 1.046 328 L CA -0.386 54.563 54.840 0.181 0.000 0.805 328 L CB 1.338 43.460 42.059 0.105 0.000 1.193 328 L HN 0.664 nan 8.230 nan 0.000 0.426 329 G N 1.665 110.543 108.800 0.130 0.000 2.531 329 G HA2 0.411 4.371 3.960 -0.000 0.000 0.313 329 G HA3 0.411 4.371 3.960 -0.000 0.000 0.313 329 G C 0.921 175.864 174.900 0.072 0.000 1.238 329 G CA -0.610 44.552 45.100 0.104 0.000 0.994 329 G HN 0.350 nan 8.290 nan 0.000 0.493 330 V N 0.492 120.432 119.914 0.043 0.000 2.324 330 V HA -0.171 3.949 4.120 -0.000 0.000 0.250 330 V C 2.935 179.036 176.094 0.012 0.000 1.060 330 V CA 1.829 64.133 62.300 0.007 0.000 1.042 330 V CB -0.384 31.433 31.823 -0.011 0.000 0.650 330 V HN 0.522 nan 8.190 nan 0.000 0.450 331 K N -0.030 120.383 120.400 0.021 0.000 2.057 331 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 331 K C 2.124 178.738 176.600 0.024 0.000 1.049 331 K CA 1.554 57.853 56.287 0.020 0.000 0.931 331 K CB -0.324 32.189 32.500 0.022 0.000 0.714 331 K HN 0.530 nan 8.250 nan 0.000 0.440 332 E N 0.686 120.907 120.200 0.035 0.000 2.106 332 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 332 E C 2.048 178.667 176.600 0.031 0.000 0.984 332 E CA 0.655 57.077 56.400 0.037 0.000 0.806 332 E CB -0.107 29.623 29.700 0.050 0.000 0.750 332 E HN 0.163 nan 8.360 nan 0.000 0.458 333 L N 0.538 121.781 121.223 0.034 0.000 2.141 333 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 333 L C 2.157 179.041 176.870 0.024 0.000 1.094 333 L CA 1.146 56.008 54.840 0.035 0.000 0.763 333 L CB -0.315 41.776 42.059 0.053 0.000 0.908 333 L HN 0.141 nan 8.230 nan 0.000 0.437 334 E N 0.160 120.368 120.200 0.012 0.000 2.072 334 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 334 E C 2.093 178.703 176.600 0.016 0.000 0.985 334 E CA 1.121 57.527 56.400 0.010 0.000 0.801 334 E CB 0.007 29.709 29.700 0.004 0.000 0.750 334 E HN 0.486 nan 8.360 nan 0.000 0.452 335 E N 0.447 120.657 120.200 0.018 0.000 2.106 335 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 335 E C 1.778 178.390 176.600 0.020 0.000 0.984 335 E CA 0.653 57.063 56.400 0.018 0.000 0.806 335 E CB 0.064 29.774 29.700 0.018 0.000 0.750 335 E HN 0.215 nan 8.360 nan 0.000 0.458 336 L N 0.220 121.458 121.223 0.025 0.000 2.610 336 L HA 0.034 4.374 4.340 -0.000 0.000 0.232 336 L C 0.310 177.202 176.870 0.037 0.000 1.149 336 L CA 0.271 55.128 54.840 0.030 0.000 0.872 336 L CB -0.116 41.966 42.059 0.038 0.000 0.992 336 L HN 0.036 nan 8.230 nan 0.000 0.447 337 K N -0.364 120.057 120.400 0.035 0.000 3.129 337 K HA -0.189 4.131 4.320 -0.000 0.000 0.273 337 K C 0.046 176.681 176.600 0.057 0.000 1.123 337 K CA 0.575 56.886 56.287 0.040 0.000 0.800 337 K CB -1.349 31.172 32.500 0.036 0.000 1.238 337 K HN 0.293 nan 8.250 nan 0.000 0.492 338 M N 0.450 120.092 119.600 0.070 0.000 3.442 338 M HA 0.040 4.520 4.480 -0.000 0.000 0.232 338 M C 1.627 177.981 176.300 0.089 0.000 1.508 338 M CA 0.556 55.923 55.300 0.112 0.000 1.647 338 M CB 0.164 32.881 32.600 0.194 0.000 1.126 338 M HN 0.393 nan 8.290 nan 0.000 0.557 339 G N 0.386 109.225 108.800 0.066 0.000 2.511 339 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.217 339 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.217 339 G C 1.452 176.373 174.900 0.035 0.000 1.133 339 G CA 0.857 45.980 45.100 0.039 0.000 0.792 339 G HN 0.665 nan 8.290 nan 0.000 0.539 340 A N 0.338 123.195 122.820 0.061 0.000 1.872 340 A HA 0.041 4.361 4.320 -0.000 0.000 0.214 340 A C 2.171 179.778 177.584 0.039 0.000 1.187 340 A CA 1.518 53.581 52.037 0.043 0.000 0.614 340 A CB -0.685 18.334 19.000 0.031 0.000 0.826 340 A HN 0.383 nan 8.150 nan 0.000 0.442 341 Y N 0.747 121.016 120.300 -0.053 0.000 2.181 341 Y HA -0.114 4.436 4.550 -0.000 0.000 0.288 341 Y C 1.834 177.694 175.900 -0.066 0.000 1.146 341 Y CA 1.541 59.612 58.100 -0.048 0.000 1.164 341 Y CB -0.540 37.933 38.460 0.022 0.000 0.982 341 Y HN 0.198 nan 8.280 nan 0.000 0.515 342 L N -0.912 120.185 121.223 -0.209 0.000 2.141 342 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 342 L C 2.511 179.243 176.870 -0.230 0.000 1.094 342 L CA 1.315 55.974 54.840 -0.302 0.000 0.763 342 L CB -0.660 41.289 42.059 -0.183 0.000 0.908 342 L HN 0.091 nan 8.230 nan 0.000 0.437 343 S N -0.381 115.200 115.700 -0.198 0.000 2.370 343 S HA -0.167 4.303 4.470 -0.000 0.000 0.226 343 S C 2.061 176.315 174.600 -0.576 0.000 1.033 343 S CA 1.365 59.404 58.200 -0.269 0.000 1.011 343 S CB -0.305 62.774 63.200 -0.202 0.000 0.852 343 S HN 0.179 nan 8.310 nan 0.000 0.457 344 V N 1.491 121.006 119.914 -0.665 0.000 2.332 344 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 344 V C 2.492 178.421 176.094 -0.275 0.000 1.055 344 V CA 1.987 63.898 62.300 -0.648 0.000 1.038 344 V CB -1.329 30.314 31.823 -0.300 0.000 0.651 344 V HN 0.611 nan 8.190 nan 0.000 0.450 345 G N -1.063 107.611 108.800 -0.210 0.000 2.813 345 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.209 345 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.209 345 G C 1.513 176.369 174.900 -0.074 0.000 1.150 345 G CA 0.138 45.170 45.100 -0.113 0.000 0.785 345 G HN 0.457 nan 8.290 nan 0.000 0.535 346 K N 0.202 120.549 120.400 -0.088 0.000 2.127 346 K HA -0.106 4.213 4.320 -0.000 0.000 0.208 346 K C 2.473 179.087 176.600 0.023 0.000 1.047 346 K CA 1.171 57.442 56.287 -0.025 0.000 0.927 346 K CB -0.185 32.318 32.500 0.005 0.000 0.716 346 K HN 0.275 nan 8.250 nan 0.000 0.450 347 G N 0.185 109.019 108.800 0.057 0.000 2.848 347 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.208 347 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.208 347 G C 0.305 175.228 174.900 0.037 0.000 1.152 347 G CA -0.146 44.996 45.100 0.071 0.000 0.789 347 G HN 0.168 nan 8.290 nan 0.000 0.531 348 S N 0.011 115.729 115.700 0.030 0.000 2.586 348 S HA 0.341 4.811 4.470 -0.000 0.000 0.274 348 S C 1.737 176.302 174.600 -0.060 0.000 1.281 348 S CA -0.517 57.700 58.200 0.028 0.000 1.035 348 S CB 0.837 64.102 63.200 0.108 0.000 0.962 348 S HN 0.307 nan 8.310 nan 0.000 0.512 349 M N 3.071 122.555 119.600 -0.193 0.000 2.476 349 M HA 0.141 4.621 4.480 -0.000 0.000 0.262 349 M C -0.858 175.181 176.300 -0.436 0.000 1.079 349 M CA 0.837 55.923 55.300 -0.357 0.000 1.104 349 M CB -0.376 31.922 32.600 -0.504 0.000 1.409 349 M HN 0.541 nan 8.290 nan 0.000 0.467 350 Y N 1.806 122.108 120.300 0.003 0.000 2.326 350 Y HA 0.527 5.077 4.550 -0.000 0.000 0.337 350 Y C -2.248 173.653 175.900 0.002 0.000 1.023 350 Y CA -2.765 55.339 58.100 0.007 0.000 1.143 350 Y CB 0.299 38.769 38.460 0.017 0.000 1.183 350 Y HN -0.012 nan 8.280 nan 0.000 0.485 351 P HA -0.021 nan 4.420 nan 0.000 0.266 351 P C -0.744 176.602 177.300 0.078 0.000 1.195 351 P CA -0.068 63.074 63.100 0.069 0.000 0.768 351 P CB 0.514 32.253 31.700 0.065 0.000 0.838 352 N N 2.781 121.484 118.700 0.004 0.000 2.353 352 N HA 0.038 4.778 4.740 -0.000 0.000 0.248 352 N C -0.088 175.490 175.510 0.113 0.000 1.240 352 N CA 0.759 53.804 53.050 -0.010 0.000 0.862 352 N CB 0.053 38.348 38.487 -0.319 0.000 1.086 352 N HN 0.187 nan 8.380 nan 0.000 0.453 353 K N 1.932 122.464 120.400 0.220 0.000 2.541 353 K HA 0.289 4.609 4.320 -0.000 0.000 0.250 353 K C -1.317 175.472 176.600 0.314 0.000 0.950 353 K CA -0.530 55.899 56.287 0.236 0.000 0.805 353 K CB 1.586 34.179 32.500 0.155 0.000 1.166 353 K HN 0.407 nan 8.250 nan 0.000 0.430 354 F N 4.042 124.092 119.950 0.168 0.000 2.385 354 F HA 0.460 4.987 4.527 -0.000 0.000 0.360 354 F C -0.153 175.675 175.800 0.047 0.000 1.122 354 F CA -1.029 57.010 58.000 0.065 0.000 1.090 354 F CB 0.544 39.552 39.000 0.013 0.000 1.150 354 F HN 0.407 nan 8.300 nan 0.000 0.472 355 I N 6.086 126.602 120.570 -0.089 0.000 2.395 355 I HA 0.204 4.374 4.170 -0.000 0.000 0.289 355 I C -0.562 175.677 176.117 0.204 0.000 1.023 355 I CA -0.242 61.114 61.300 0.095 0.000 1.350 355 I CB 0.944 38.958 38.000 0.022 0.000 1.409 355 I HN 0.606 nan 8.210 nan 0.000 0.507 356 H N 6.591 125.830 119.070 0.282 0.000 3.092 356 H HA 0.445 5.001 4.556 -0.000 0.000 0.308 356 H C -1.511 174.043 175.328 0.377 0.000 1.047 356 H CA -0.918 55.349 56.048 0.365 0.000 1.466 356 H CB 0.817 30.843 29.762 0.441 0.000 1.597 356 H HN 0.331 nan 8.280 nan 0.000 0.512 357 L N 3.358 124.970 121.223 0.649 0.000 2.334 357 L HA 0.512 4.852 4.340 -0.000 0.000 0.270 357 L C 0.184 177.451 176.870 0.660 0.000 1.018 357 L CA -0.534 54.633 54.840 0.545 0.000 0.811 357 L CB 1.914 44.224 42.059 0.418 0.000 1.271 357 L HN 0.627 nan 8.230 nan 0.000 0.443 358 T N 0.929 115.757 114.554 0.455 0.000 2.928 358 T HA 0.344 4.694 4.350 -0.000 0.000 0.296 358 T C -1.368 173.514 174.700 0.303 0.000 1.000 358 T CA -0.357 61.926 62.100 0.305 0.000 0.989 358 T CB 0.956 69.899 68.868 0.125 0.000 1.005 358 T HN 0.321 nan 8.240 nan 0.000 0.442 359 Y N 3.041 123.483 120.300 0.237 0.000 2.330 359 Y HA 0.638 5.188 4.550 -0.000 0.000 0.336 359 Y C -0.138 175.779 175.900 0.028 0.000 1.036 359 Y CA -0.716 57.487 58.100 0.171 0.000 1.125 359 Y CB 0.881 39.514 38.460 0.287 0.000 1.194 359 Y HN 0.464 nan 8.280 nan 0.000 0.469 360 K N 4.668 124.652 120.400 -0.694 0.000 2.507 360 K HA 0.426 4.746 4.320 -0.000 0.000 0.252 360 K C -0.905 175.282 176.600 -0.689 0.000 0.943 360 K CA -0.552 55.421 56.287 -0.524 0.000 0.808 360 K CB 1.202 33.551 32.500 -0.252 0.000 1.142 360 K HN 0.816 nan 8.250 nan 0.000 0.426 361 S N 2.651 118.112 115.700 -0.398 0.000 2.573 361 S HA 0.057 4.527 4.470 -0.000 0.000 0.277 361 S C -0.162 174.354 174.600 -0.139 0.000 1.346 361 S CA -0.196 57.894 58.200 -0.184 0.000 1.034 361 S CB 0.517 63.733 63.200 0.027 0.000 0.879 361 S HN 0.465 nan 8.310 nan 0.000 0.528 362 K N 1.258 121.609 120.400 -0.082 0.000 2.295 362 K HA 0.462 4.782 4.320 -0.000 0.000 0.270 362 K C 1.094 177.677 176.600 -0.029 0.000 1.011 362 K CA 0.586 56.842 56.287 -0.052 0.000 0.953 362 K CB 0.297 32.778 32.500 -0.031 0.000 0.956 362 K HN 0.862 nan 8.250 nan 0.000 0.477 363 G N 0.779 109.563 108.800 -0.026 0.000 2.503 363 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.235 363 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.235 363 G C -0.556 174.334 174.900 -0.016 0.000 1.179 363 G CA -0.286 44.804 45.100 -0.016 0.000 0.944 363 G HN 0.836 nan 8.290 nan 0.000 0.580 364 D N -0.278 120.116 120.400 -0.009 0.000 2.264 364 D HA 0.619 5.259 4.640 -0.000 0.000 0.250 364 D C 0.255 176.551 176.300 -0.006 0.000 1.113 364 D CA 0.375 54.370 54.000 -0.008 0.000 0.871 364 D CB 1.601 42.398 40.800 -0.006 0.000 1.167 364 D HN 1.145 nan 8.370 nan 0.000 0.447 365 V N 3.170 123.079 119.914 -0.009 0.000 2.368 365 V HA 0.215 4.335 4.120 -0.000 0.000 0.266 365 V C 1.188 177.280 176.094 -0.004 0.000 1.045 365 V CA -0.211 62.086 62.300 -0.005 0.000 0.899 365 V CB 0.843 32.660 31.823 -0.009 0.000 1.006 365 V HN 0.725 nan 8.190 nan 0.000 0.470 366 K N 2.930 123.329 120.400 -0.001 0.000 2.308 366 K HA 0.248 4.568 4.320 -0.000 0.000 0.197 366 K C 0.359 176.950 176.600 -0.015 0.000 1.049 366 K CA 0.424 56.706 56.287 -0.007 0.000 0.991 366 K CB 0.404 32.902 32.500 -0.003 0.000 0.836 366 K HN 0.376 nan 8.250 nan 0.000 0.500 367 K N 1.207 121.602 120.400 -0.008 0.000 2.422 367 K HA 0.352 4.672 4.320 -0.000 0.000 0.251 367 K C -1.094 175.506 176.600 -0.000 0.000 0.933 367 K CA -0.524 55.750 56.287 -0.021 0.000 0.798 367 K CB 2.444 34.948 32.500 0.007 0.000 1.238 367 K HN -0.139 nan 8.250 nan 0.000 0.428 368 K N 2.740 123.133 120.400 -0.011 0.000 2.376 368 K HA 0.562 4.882 4.320 -0.000 0.000 0.257 368 K C -0.463 176.185 176.600 0.079 0.000 0.939 368 K CA -0.519 55.796 56.287 0.047 0.000 0.809 368 K CB 1.521 34.060 32.500 0.065 0.000 1.121 368 K HN 0.442 nan 8.250 nan 0.000 0.425 369 I N 1.838 122.487 120.570 0.131 0.000 2.545 369 I HA 0.405 4.575 4.170 -0.000 0.000 0.292 369 I C -0.564 175.659 176.117 0.177 0.000 1.040 369 I CA -1.028 60.388 61.300 0.193 0.000 1.068 369 I CB 2.132 40.264 38.000 0.219 0.000 1.251 369 I HN 0.595 nan 8.210 nan 0.000 0.424 370 A N 7.530 130.467 122.820 0.196 0.000 2.260 370 A HA 0.782 5.102 4.320 -0.000 0.000 0.314 370 A C -0.762 176.900 177.584 0.130 0.000 1.257 370 A CA -0.433 51.697 52.037 0.156 0.000 0.871 370 A CB 0.516 19.606 19.000 0.151 0.000 1.166 370 A HN 0.683 nan 8.150 nan 0.000 0.522 371 L N 3.633 124.889 121.223 0.055 0.000 2.280 371 L HA 0.484 4.824 4.340 -0.000 0.000 0.287 371 L C -0.876 176.049 176.870 0.091 0.000 1.023 371 L CA -0.760 54.124 54.840 0.073 0.000 0.819 371 L CB 1.559 43.646 42.059 0.047 0.000 1.212 371 L HN 0.404 nan 8.230 nan 0.000 0.420 372 V N 2.219 122.192 119.914 0.098 0.000 2.384 372 V HA 0.642 4.762 4.120 -0.000 0.000 0.287 372 V C 0.471 176.596 176.094 0.051 0.000 1.020 372 V CA -0.483 61.855 62.300 0.064 0.000 0.850 372 V CB 1.640 33.523 31.823 0.099 0.000 0.987 372 V HN 0.849 nan 8.190 nan 0.000 0.436 373 G N 3.074 111.873 108.800 -0.002 0.000 2.470 373 G HA2 0.479 4.439 3.960 -0.000 0.000 0.320 373 G HA3 0.479 4.439 3.960 -0.000 0.000 0.320 373 G C -0.596 174.271 174.900 -0.056 0.000 1.245 373 G CA -0.722 44.376 45.100 -0.004 0.000 0.935 373 G HN 0.669 nan 8.290 nan 0.000 0.476 374 K N 1.418 121.798 120.400 -0.033 0.000 2.447 374 K HA 0.292 4.612 4.320 -0.000 0.000 0.281 374 K C 0.579 177.131 176.600 -0.079 0.000 1.031 374 K CA 0.122 56.373 56.287 -0.060 0.000 1.019 374 K CB 0.374 32.852 32.500 -0.036 0.000 0.918 374 K HN 0.463 nan 8.250 nan 0.000 0.476 375 G N 6.281 115.028 108.800 -0.088 0.000 4.943 375 G HA2 0.265 4.225 3.960 -0.000 0.000 0.315 375 G HA3 0.265 4.225 3.960 -0.000 0.000 0.315 375 G C -0.520 174.363 174.900 -0.027 0.000 1.437 375 G CA -0.484 44.575 45.100 -0.069 0.000 1.027 375 G HN 0.484 nan 8.290 nan 0.000 0.567 376 I N 2.814 123.367 120.570 -0.028 0.000 2.291 376 I HA 0.146 4.316 4.170 -0.000 0.000 0.290 376 I C 1.717 177.843 176.117 0.016 0.000 1.050 376 I CA -0.231 61.071 61.300 0.002 0.000 1.245 376 I CB 0.652 38.642 38.000 -0.017 0.000 1.405 376 I HN 0.326 nan 8.210 nan 0.000 0.478 377 T N 2.831 117.416 114.554 0.052 0.000 3.023 377 T HA 0.038 4.388 4.350 -0.000 0.000 0.266 377 T C 0.236 175.046 174.700 0.183 0.000 1.093 377 T CA 0.548 62.689 62.100 0.068 0.000 1.129 377 T CB 0.050 68.928 68.868 0.018 0.000 0.899 377 T HN 0.298 nan 8.240 nan 0.000 0.491 378 F N 1.006 120.964 119.950 0.014 0.000 2.615 378 F HA 0.514 5.041 4.527 -0.000 0.000 0.312 378 F C -2.242 173.581 175.800 0.039 0.000 1.119 378 F CA -1.669 56.346 58.000 0.025 0.000 0.979 378 F CB 2.082 41.095 39.000 0.021 0.000 1.266 378 F HN -0.145 nan 8.300 nan 0.000 0.444 379 D N 2.498 122.418 120.400 -0.800 0.000 2.460 379 D HA 0.236 4.876 4.640 -0.000 0.000 0.232 379 D C 0.471 176.333 176.300 -0.729 0.000 1.079 379 D CA 0.059 53.744 54.000 -0.526 0.000 0.864 379 D CB 1.397 42.035 40.800 -0.270 0.000 1.048 379 D HN 0.468 nan 8.370 nan 0.000 0.523 380 S N 2.003 117.472 115.700 -0.385 0.000 2.527 380 S HA 0.237 4.707 4.470 -0.000 0.000 0.222 380 S C 1.709 176.260 174.600 -0.081 0.000 0.985 380 S CA 0.544 58.667 58.200 -0.128 0.000 0.921 380 S CB 0.183 63.475 63.200 0.152 0.000 0.772 380 S HN 0.737 nan 8.310 nan 0.000 0.529 381 G N 0.755 109.508 108.800 -0.078 0.000 2.258 381 G HA2 0.094 4.054 3.960 -0.000 0.000 0.233 381 G HA3 0.094 4.054 3.960 -0.000 0.000 0.233 381 G C 1.202 176.106 174.900 0.007 0.000 1.006 381 G CA 0.300 45.382 45.100 -0.029 0.000 0.620 381 G HN 1.769 nan 8.290 nan 0.000 0.511 382 G N -0.539 108.266 108.800 0.009 0.000 2.575 382 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.267 382 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.267 382 G C 0.592 175.443 174.900 -0.080 0.000 1.264 382 G CA 0.772 45.871 45.100 -0.002 0.000 0.935 382 G HN 1.097 nan 8.290 nan 0.000 0.568 383 Y N 1.232 121.511 120.300 -0.035 0.000 2.256 383 Y HA -0.072 4.478 4.550 -0.000 0.000 0.288 383 Y C 2.352 178.219 175.900 -0.054 0.000 1.155 383 Y CA 2.011 60.081 58.100 -0.050 0.000 1.203 383 Y CB -0.284 38.128 38.460 -0.079 0.000 0.980 383 Y HN 0.420 nan 8.280 nan 0.000 0.530 384 N N 1.133 119.865 118.700 0.053 0.000 3.103 384 N HA 0.127 4.867 4.740 -0.000 0.000 0.305 384 N C -0.841 174.665 175.510 -0.006 0.000 1.232 384 N CA -0.221 52.834 53.050 0.009 0.000 1.190 384 N CB -0.179 38.297 38.487 -0.019 0.000 1.461 384 N HN 0.073 nan 8.380 nan 0.000 0.538 385 L N 0.886 122.104 121.223 -0.009 0.000 2.525 385 L HA 0.003 4.343 4.340 -0.000 0.000 0.278 385 L C 0.272 177.133 176.870 -0.015 0.000 1.218 385 L CA 0.194 55.022 54.840 -0.021 0.000 0.878 385 L CB 0.401 42.445 42.059 -0.025 0.000 1.127 385 L HN 0.262 nan 8.230 nan 0.000 0.492 386 K N 5.198 125.586 120.400 -0.019 0.000 2.054 386 K HA 0.163 4.483 4.320 -0.000 0.000 0.242 386 K C 0.567 177.162 176.600 -0.009 0.000 1.157 386 K CA 0.553 56.829 56.287 -0.020 0.000 1.079 386 K CB -0.050 32.428 32.500 -0.037 0.000 1.331 386 K HN 0.769 nan 8.250 nan 0.000 0.317 387 A N 1.515 124.331 122.820 -0.007 0.000 2.324 387 A HA 0.277 4.597 4.320 -0.000 0.000 0.220 387 A C 0.823 178.403 177.584 -0.006 0.000 1.209 387 A CA -0.069 51.966 52.037 -0.004 0.000 0.918 387 A CB 0.481 19.480 19.000 -0.003 0.000 0.959 387 A HN 0.553 nan 8.150 nan 0.000 0.507 388 A N 1.137 123.951 122.820 -0.009 0.000 2.351 388 A HA 0.569 4.889 4.320 -0.000 0.000 0.257 388 A C -2.514 175.065 177.584 -0.009 0.000 1.087 388 A CA -1.233 50.799 52.037 -0.009 0.000 0.798 388 A CB -0.492 18.501 19.000 -0.012 0.000 1.033 388 A HN 0.176 nan 8.150 nan 0.000 0.488 389 P HA 0.257 nan 4.420 nan 0.000 0.262 389 P C 0.955 178.251 177.300 -0.006 0.000 1.182 389 P CA 1.866 64.961 63.100 -0.008 0.000 0.761 389 P CB 0.547 32.242 31.700 -0.008 0.000 0.795 390 G N 2.559 111.353 108.800 -0.010 0.000 2.175 390 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.244 390 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.244 390 G C 1.115 176.011 174.900 -0.006 0.000 0.982 390 G CA 0.466 45.562 45.100 -0.008 0.000 0.641 390 G HN 0.598 nan 8.290 nan 0.000 0.527 391 S N -0.145 115.548 115.700 -0.011 0.000 2.522 391 S HA 0.289 4.759 4.470 -0.000 0.000 0.227 391 S C 1.514 176.096 174.600 -0.031 0.000 0.986 391 S CA 1.087 59.280 58.200 -0.012 0.000 0.929 391 S CB -0.386 62.807 63.200 -0.012 0.000 0.769 391 S HN 1.244 nan 8.310 nan 0.000 0.529 392 M N 0.272 119.847 119.600 -0.042 0.000 2.249 392 M HA -0.172 4.308 4.480 -0.000 0.000 0.198 392 M C 0.680 176.927 176.300 -0.087 0.000 0.394 392 M CA 0.300 55.556 55.300 -0.074 0.000 0.427 392 M CB -1.689 30.850 32.600 -0.103 0.000 1.307 392 M HN 0.519 nan 8.290 nan 0.000 0.924 393 I N 1.501 122.045 120.570 -0.044 0.000 2.567 393 I HA -0.262 3.908 4.170 -0.000 0.000 0.257 393 I C 2.070 178.210 176.117 0.039 0.000 1.184 393 I CA 2.294 63.581 61.300 -0.021 0.000 1.451 393 I CB -0.030 37.997 38.000 0.045 0.000 1.089 393 I HN 0.569 nan 8.210 nan 0.000 0.441 394 D N 0.501 120.899 120.400 -0.004 0.000 2.348 394 D HA -0.197 4.443 4.640 -0.000 0.000 0.216 394 D C 1.933 178.160 176.300 -0.122 0.000 0.970 394 D CA 0.548 54.540 54.000 -0.012 0.000 0.889 394 D CB -0.193 40.578 40.800 -0.049 0.000 0.912 394 D HN 0.402 nan 8.370 nan 0.000 0.524 395 L N -0.362 120.719 121.223 -0.235 0.000 2.529 395 L HA 0.145 4.485 4.340 -0.000 0.000 0.223 395 L C 1.737 178.400 176.870 -0.345 0.000 1.113 395 L CA 0.416 54.942 54.840 -0.523 0.000 0.861 395 L CB -0.100 41.519 42.059 -0.735 0.000 1.012 395 L HN -0.205 nan 8.230 nan 0.000 0.461 396 M N 0.075 119.610 119.600 -0.107 0.000 2.659 396 M HA -0.042 4.438 4.480 -0.000 0.000 0.243 396 M C 1.748 178.102 176.300 0.090 0.000 1.111 396 M CA 0.628 55.877 55.300 -0.084 0.000 1.070 396 M CB -0.856 31.423 32.600 -0.535 0.000 1.525 396 M HN 0.412 nan 8.290 nan 0.000 0.517 397 K N 0.409 120.957 120.400 0.247 0.000 2.360 397 K HA -0.163 4.157 4.320 -0.000 0.000 0.201 397 K C 1.493 178.215 176.600 0.202 0.000 1.046 397 K CA 1.236 57.667 56.287 0.240 0.000 0.940 397 K CB -0.939 31.637 32.500 0.127 0.000 0.748 397 K HN 0.493 nan 8.250 nan 0.000 0.465 398 F N 0.253 120.163 119.950 -0.067 0.000 2.797 398 F HA 0.227 4.754 4.527 -0.000 0.000 0.302 398 F C 0.729 176.523 175.800 -0.010 0.000 1.130 398 F CA -0.565 57.422 58.000 -0.022 0.000 1.387 398 F CB 0.171 39.145 39.000 -0.044 0.000 1.107 398 F HN -0.145 nan 8.300 nan 0.000 0.577 399 D N 1.894 122.278 120.400 -0.027 0.000 2.363 399 D HA -0.028 4.612 4.640 -0.000 0.000 0.226 399 D C 1.255 177.452 176.300 -0.172 0.000 1.020 399 D CA 0.700 54.560 54.000 -0.234 0.000 0.892 399 D CB 0.019 40.766 40.800 -0.088 0.000 0.900 399 D HN 0.477 nan 8.370 nan 0.000 0.531 400 M N -2.216 117.319 119.600 -0.108 0.000 2.655 400 M HA 0.408 4.888 4.480 -0.000 0.000 0.311 400 M C 1.290 177.535 176.300 -0.091 0.000 1.229 400 M CA -0.233 55.017 55.300 -0.083 0.000 0.972 400 M CB 0.364 32.940 32.600 -0.039 0.000 1.366 400 M HN -0.342 nan 8.290 nan 0.000 0.500 401 S N 1.307 116.913 115.700 -0.156 0.000 2.399 401 S HA -0.019 4.451 4.470 -0.000 0.000 0.231 401 S C 1.948 176.512 174.600 -0.059 0.000 1.022 401 S CA 1.669 59.805 58.200 -0.107 0.000 0.983 401 S CB -0.634 62.448 63.200 -0.197 0.000 0.803 401 S HN 0.801 nan 8.310 nan 0.000 0.480 402 G N 0.037 108.793 108.800 -0.074 0.000 2.404 402 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.215 402 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.215 402 G C 1.746 176.644 174.900 -0.003 0.000 1.174 402 G CA 0.989 46.078 45.100 -0.019 0.000 0.780 402 G HN 0.598 nan 8.290 nan 0.000 0.537 403 C N 1.106 120.389 119.300 -0.028 0.000 2.413 403 C HA 0.142 4.602 4.460 -0.000 0.000 0.276 403 C C 3.419 178.413 174.990 0.006 0.000 1.248 403 C CA 1.650 60.657 59.018 -0.018 0.000 1.742 403 C CB -1.102 26.610 27.740 -0.047 0.000 2.017 403 C HN 0.540 nan 8.230 nan 0.000 0.481 404 A N 0.609 123.418 122.820 -0.017 0.000 1.883 404 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 404 A C 2.544 180.139 177.584 0.017 0.000 1.186 404 A CA 2.546 54.568 52.037 -0.025 0.000 0.624 404 A CB -1.345 17.617 19.000 -0.064 0.000 0.822 404 A HN 0.929 nan 8.150 nan 0.000 0.444 405 A N -0.636 122.198 122.820 0.024 0.000 1.883 405 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 405 A C 2.250 179.878 177.584 0.074 0.000 1.186 405 A CA 1.998 54.058 52.037 0.039 0.000 0.624 405 A CB -1.067 17.965 19.000 0.053 0.000 0.822 405 A HN 0.457 nan 8.150 nan 0.000 0.444 406 V N -0.276 119.699 119.914 0.102 0.000 2.343 406 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 406 V C 2.482 178.680 176.094 0.173 0.000 1.051 406 V CA 1.735 64.149 62.300 0.189 0.000 1.036 406 V CB -0.666 31.272 31.823 0.191 0.000 0.654 406 V HN 0.470 nan 8.190 nan 0.000 0.451 407 L N 0.790 122.081 121.223 0.113 0.000 2.109 407 L HA 0.047 4.387 4.340 -0.000 0.000 0.207 407 L C 2.603 179.532 176.870 0.098 0.000 1.086 407 L CA 2.146 57.042 54.840 0.093 0.000 0.760 407 L CB -1.964 40.223 42.059 0.214 0.000 0.910 407 L HN 0.362 nan 8.230 nan 0.000 0.437 408 G N -1.372 107.523 108.800 0.158 0.000 2.440 408 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.218 408 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.218 408 G C 1.949 176.885 174.900 0.060 0.000 1.154 408 G CA 1.063 46.235 45.100 0.120 0.000 0.767 408 G HN 0.494 nan 8.290 nan 0.000 0.552 409 C N 0.946 120.271 119.300 0.043 0.000 2.429 409 C HA 0.175 4.635 4.460 -0.000 0.000 0.277 409 C C 3.451 178.414 174.990 -0.045 0.000 1.262 409 C CA 1.606 60.660 59.018 0.059 0.000 1.733 409 C CB -1.109 26.752 27.740 0.203 0.000 2.010 409 C HN 0.560 nan 8.230 nan 0.000 0.483 410 A N -0.949 121.652 122.820 -0.364 0.000 1.940 410 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 410 A C 2.032 179.374 177.584 -0.403 0.000 1.176 410 A CA 1.976 53.454 52.037 -0.931 0.000 0.631 410 A CB -1.236 16.986 19.000 -1.297 0.000 0.814 410 A HN 0.840 nan 8.150 nan 0.000 0.446 411 Y N 0.351 120.477 120.300 -0.289 0.000 2.097 411 Y HA -0.330 4.220 4.550 -0.000 0.000 0.282 411 Y C 2.596 178.451 175.900 -0.076 0.000 1.152 411 Y CA 1.753 59.745 58.100 -0.180 0.000 1.136 411 Y CB -0.957 37.389 38.460 -0.191 0.000 0.975 411 Y HN 0.378 nan 8.280 nan 0.000 0.498 412 C N -0.751 118.414 119.300 -0.225 0.000 2.413 412 C HA -0.177 4.283 4.460 -0.000 0.000 0.276 412 C C 2.829 177.696 174.990 -0.205 0.000 1.236 412 C CA 1.174 60.090 59.018 -0.169 0.000 1.735 412 C CB -1.336 26.412 27.740 0.014 0.000 2.031 412 C HN 0.531 nan 8.230 nan 0.000 0.474 413 V N 1.341 121.144 119.914 -0.184 0.000 2.295 413 V HA -0.095 4.025 4.120 -0.000 0.000 0.246 413 V C 2.699 178.537 176.094 -0.426 0.000 1.049 413 V CA 2.412 64.555 62.300 -0.261 0.000 1.024 413 V CB -1.560 30.193 31.823 -0.117 0.000 0.648 413 V HN 0.657 nan 8.190 nan 0.000 0.447 414 G N -0.856 107.745 108.800 -0.332 0.000 2.462 414 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 414 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 414 G C 1.650 176.429 174.900 -0.201 0.000 1.121 414 G CA 1.624 46.608 45.100 -0.192 0.000 0.758 414 G HN 0.497 nan 8.290 nan 0.000 0.559 415 T N 0.580 114.933 114.554 -0.334 0.000 2.901 415 T HA 0.133 4.483 4.350 -0.000 0.000 0.252 415 T C 2.318 176.928 174.700 -0.149 0.000 1.035 415 T CA 0.323 62.252 62.100 -0.286 0.000 1.142 415 T CB -0.043 68.527 68.868 -0.496 0.000 0.869 415 T HN 0.138 nan 8.240 nan 0.000 0.442 416 L N 0.319 121.455 121.223 -0.146 0.000 2.418 416 L HA 0.226 4.566 4.340 -0.000 0.000 0.218 416 L C 0.484 177.319 176.870 -0.059 0.000 1.125 416 L CA 0.355 55.153 54.840 -0.071 0.000 0.835 416 L CB -0.357 41.687 42.059 -0.025 0.000 0.953 416 L HN 0.188 nan 8.230 nan 0.000 0.454 417 K N -0.151 120.184 120.400 -0.108 0.000 3.393 417 K HA -0.132 4.188 4.320 -0.000 0.000 0.272 417 K C -2.176 174.463 176.600 0.065 0.000 1.004 417 K CA -0.243 56.056 56.287 0.020 0.000 0.764 417 K CB -1.518 31.051 32.500 0.116 0.000 1.373 417 K HN 0.249 nan 8.250 nan 0.000 0.458 418 P HA -0.044 nan 4.420 nan 0.000 0.268 418 P C -0.088 177.308 177.300 0.160 0.000 1.208 418 P CA 0.402 63.527 63.100 0.043 0.000 0.777 418 P CB 0.651 32.345 31.700 -0.009 0.000 0.875 419 E N 0.860 121.120 120.200 0.100 0.000 2.280 419 E HA 0.144 4.494 4.350 -0.000 0.000 0.264 419 E C 0.360 177.006 176.600 0.077 0.000 1.064 419 E CA -0.676 55.778 56.400 0.091 0.000 0.900 419 E CB 0.208 29.937 29.700 0.048 0.000 1.123 419 E HN 0.366 nan 8.360 nan 0.000 0.418 420 N N -1.138 117.594 118.700 0.055 0.000 2.741 420 N HA -0.171 4.569 4.740 -0.000 0.000 0.251 420 N C -0.674 174.861 175.510 0.041 0.000 1.112 420 N CA 1.246 54.316 53.050 0.033 0.000 0.750 420 N CB -1.875 36.623 38.487 0.019 0.000 1.119 420 N HN 0.314 nan 8.380 nan 0.000 0.561 421 V N -3.284 116.678 119.914 0.080 0.000 2.962 421 V HA 0.757 4.877 4.120 -0.000 0.000 0.313 421 V C -0.065 176.080 176.094 0.085 0.000 1.099 421 V CA -0.945 61.406 62.300 0.086 0.000 0.971 421 V CB 3.026 34.913 31.823 0.107 0.000 1.028 421 V HN 0.145 nan 8.190 nan 0.000 0.430 422 E N 2.820 123.046 120.200 0.044 0.000 2.218 422 E HA 0.614 4.964 4.350 -0.000 0.000 0.263 422 E C -1.673 174.897 176.600 -0.050 0.000 0.879 422 E CA -0.807 55.584 56.400 -0.013 0.000 0.762 422 E CB 1.770 31.446 29.700 -0.041 0.000 1.166 422 E HN 0.751 nan 8.360 nan 0.000 0.415 423 I N 4.311 124.827 120.570 -0.090 0.000 2.436 423 I HA 0.308 4.478 4.170 -0.000 0.000 0.289 423 I C -0.357 175.480 176.117 -0.467 0.000 1.010 423 I CA -0.706 60.438 61.300 -0.260 0.000 1.098 423 I CB 1.267 39.062 38.000 -0.342 0.000 1.266 423 I HN 0.593 nan 8.210 nan 0.000 0.434 424 H N 6.044 125.003 119.070 -0.186 0.000 2.488 424 H HA 0.420 4.976 4.556 -0.000 0.000 0.322 424 H C -1.172 174.016 175.328 -0.233 0.000 1.078 424 H CA -0.300 55.728 56.048 -0.033 0.000 1.260 424 H CB 1.581 31.408 29.762 0.108 0.000 1.425 424 H HN 0.305 nan 8.280 nan 0.000 0.471 425 F N 3.852 123.984 119.950 0.303 0.000 2.347 425 F HA 0.334 4.861 4.527 -0.000 0.000 0.366 425 F C -0.018 175.869 175.800 0.144 0.000 1.107 425 F CA -0.522 57.593 58.000 0.191 0.000 1.058 425 F CB 0.855 39.959 39.000 0.173 0.000 1.236 425 F HN 0.171 nan 8.300 nan 0.000 0.456 426 L N 2.473 123.787 121.223 0.153 0.000 2.362 426 L HA 0.731 5.071 4.340 -0.000 0.000 0.271 426 L C -0.261 176.456 176.870 -0.254 0.000 1.002 426 L CA -0.721 54.075 54.840 -0.072 0.000 0.818 426 L CB 2.276 44.301 42.059 -0.057 0.000 1.298 426 L HN 0.482 nan 8.230 nan 0.000 0.420 427 S N 1.342 116.692 115.700 -0.585 0.000 2.649 427 S HA 0.639 5.109 4.470 -0.000 0.000 0.274 427 S C -0.691 173.308 174.600 -1.002 0.000 1.176 427 S CA -0.457 57.389 58.200 -0.591 0.000 0.988 427 S CB 1.597 64.636 63.200 -0.268 0.000 1.071 427 S HN 0.685 nan 8.310 nan 0.000 0.478 428 A N 4.671 126.896 122.820 -0.991 0.000 2.805 428 A HA 0.537 4.857 4.320 -0.000 0.000 0.301 428 A C -0.009 177.327 177.584 -0.413 0.000 1.557 428 A CA -0.290 51.111 52.037 -1.060 0.000 1.254 428 A CB -0.472 17.701 19.000 -1.378 0.000 1.114 428 A HN 0.743 nan 8.150 nan 0.000 0.553 429 V N 2.516 122.383 119.914 -0.077 0.000 2.530 429 V HA 0.440 4.560 4.120 -0.000 0.000 0.282 429 V C 0.630 176.883 176.094 0.265 0.000 1.048 429 V CA -0.030 62.316 62.300 0.076 0.000 0.997 429 V CB -0.165 31.676 31.823 0.031 0.000 0.987 429 V HN 1.180 nan 8.190 nan 0.000 0.477 430 C N 2.519 121.936 119.300 0.195 0.000 3.284 430 C HA 0.791 5.251 4.460 -0.000 0.000 0.348 430 C C -0.907 174.152 174.990 0.116 0.000 1.448 430 C CA -0.891 58.225 59.018 0.164 0.000 1.223 430 C CB 1.609 29.451 27.740 0.169 0.000 1.588 430 C HN 0.890 nan 8.230 nan 0.000 0.451 431 E N 0.861 121.135 120.200 0.122 0.000 2.222 431 E HA 0.482 4.832 4.350 -0.000 0.000 0.267 431 E C -1.480 175.196 176.600 0.127 0.000 0.884 431 E CA -0.321 56.168 56.400 0.149 0.000 0.764 431 E CB 1.535 31.372 29.700 0.228 0.000 1.169 431 E HN 0.659 nan 8.360 nan 0.000 0.413 432 N N 4.748 123.520 118.700 0.119 0.000 2.485 432 N HA 0.266 5.006 4.740 -0.000 0.000 0.243 432 N C -1.215 174.373 175.510 0.129 0.000 0.987 432 N CA -0.128 52.983 53.050 0.103 0.000 0.940 432 N CB 0.506 39.035 38.487 0.069 0.000 1.122 432 N HN 0.421 nan 8.380 nan 0.000 0.509 433 M N 1.608 121.282 119.600 0.124 0.000 2.667 433 M HA 0.458 4.938 4.480 -0.000 0.000 0.286 433 M C -0.893 175.412 176.300 0.008 0.000 1.270 433 M CA -0.971 54.387 55.300 0.096 0.000 0.826 433 M CB 1.623 34.282 32.600 0.098 0.000 1.743 433 M HN -0.021 nan 8.290 nan 0.000 0.460 434 V N 0.713 120.582 119.914 -0.074 0.000 2.370 434 V HA 0.751 4.870 4.120 -0.000 0.000 0.283 434 V C -0.141 175.857 176.094 -0.160 0.000 1.023 434 V CA -0.198 61.939 62.300 -0.272 0.000 0.857 434 V CB 1.428 33.027 31.823 -0.373 0.000 0.985 434 V HN 0.951 nan 8.190 nan 0.000 0.443 435 S N 3.054 118.693 115.700 -0.102 0.000 2.615 435 S HA 0.326 4.796 4.470 -0.000 0.000 0.268 435 S C 0.631 175.322 174.600 0.152 0.000 1.146 435 S CA -0.238 57.978 58.200 0.026 0.000 0.818 435 S CB 1.703 64.926 63.200 0.038 0.000 1.111 435 S HN 0.854 nan 8.310 nan 0.000 0.465 436 K N 1.313 121.782 120.400 0.115 0.000 2.280 436 K HA -0.005 4.315 4.320 -0.000 0.000 0.202 436 K C 0.738 177.409 176.600 0.119 0.000 1.047 436 K CA 1.913 58.275 56.287 0.124 0.000 0.942 436 K CB -0.536 32.004 32.500 0.066 0.000 0.739 436 K HN 0.517 nan 8.250 nan 0.000 0.457 437 N N 0.480 119.245 118.700 0.108 0.000 2.280 437 N HA 0.047 4.787 4.740 -0.000 0.000 0.192 437 N C -0.612 174.979 175.510 0.136 0.000 1.109 437 N CA -0.316 52.788 53.050 0.091 0.000 0.855 437 N CB 0.679 39.196 38.487 0.049 0.000 0.974 437 N HN 0.043 nan 8.380 nan 0.000 0.482 438 S N 0.899 116.733 115.700 0.224 0.000 2.585 438 S HA 0.030 4.500 4.470 -0.000 0.000 0.273 438 S C -0.169 174.637 174.600 0.344 0.000 1.339 438 S CA -0.631 57.756 58.200 0.311 0.000 1.028 438 S CB 0.183 63.617 63.200 0.391 0.000 0.906 438 S HN 0.296 nan 8.310 nan 0.000 0.528 439 Y N 1.225 121.590 120.300 0.109 0.000 2.457 439 Y HA 0.528 5.078 4.550 -0.000 0.000 0.341 439 Y C 0.074 176.026 175.900 0.086 0.000 1.240 439 Y CA -0.954 57.188 58.100 0.070 0.000 1.437 439 Y CB 0.219 38.706 38.460 0.047 0.000 1.328 439 Y HN 0.458 nan 8.280 nan 0.000 0.588 440 R N 2.684 123.103 120.500 -0.134 0.000 2.778 440 R HA 0.482 4.822 4.340 -0.000 0.000 0.277 440 R C -2.686 173.428 176.300 -0.308 0.000 0.977 440 R CA -2.217 53.725 56.100 -0.264 0.000 0.950 440 R CB 1.170 31.331 30.300 -0.231 0.000 1.165 440 R HN 0.477 nan 8.270 nan 0.000 0.474 441 P HA -0.031 nan 4.420 nan 0.000 0.264 441 P C 0.540 177.760 177.300 -0.134 0.000 1.183 441 P CA 1.016 64.002 63.100 -0.190 0.000 0.763 441 P CB 0.607 32.227 31.700 -0.132 0.000 0.807 442 G N 2.041 110.786 108.800 -0.091 0.000 2.258 442 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.233 442 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.233 442 G C -0.038 174.840 174.900 -0.037 0.000 1.006 442 G CA -0.235 44.830 45.100 -0.058 0.000 0.620 442 G HN 0.517 nan 8.290 nan 0.000 0.511 443 D N 0.857 121.235 120.400 -0.036 0.000 2.488 443 D HA 0.402 5.042 4.640 -0.000 0.000 0.238 443 D C 0.825 177.158 176.300 0.054 0.000 1.138 443 D CA 0.437 54.446 54.000 0.014 0.000 0.873 443 D CB 0.651 41.489 40.800 0.063 0.000 1.183 443 D HN 0.409 nan 8.370 nan 0.000 0.458 444 I N 3.441 124.043 120.570 0.054 0.000 2.336 444 I HA 0.315 4.485 4.170 -0.000 0.000 0.292 444 I C 0.377 176.548 176.117 0.090 0.000 0.991 444 I CA -0.683 60.665 61.300 0.080 0.000 1.227 444 I CB 0.760 38.803 38.000 0.072 0.000 1.366 444 I HN 0.203 nan 8.210 nan 0.000 0.466 445 I N 1.912 122.550 120.570 0.114 0.000 2.846 445 I HA 0.650 4.820 4.170 -0.000 0.000 0.307 445 I C -0.792 175.392 176.117 0.112 0.000 1.053 445 I CA -0.468 60.896 61.300 0.107 0.000 1.050 445 I CB 2.451 40.523 38.000 0.119 0.000 1.239 445 I HN 0.292 nan 8.210 nan 0.000 0.439 446 T N 3.452 118.062 114.554 0.094 0.000 2.786 446 T HA 0.672 5.022 4.350 -0.000 0.000 0.283 446 T C 0.146 174.908 174.700 0.104 0.000 0.992 446 T CA -0.423 61.737 62.100 0.100 0.000 0.954 446 T CB 1.416 70.329 68.868 0.076 0.000 0.934 446 T HN 0.845 nan 8.240 nan 0.000 0.440 447 A N 2.184 125.089 122.820 0.142 0.000 2.313 447 A HA 0.496 4.816 4.320 -0.000 0.000 0.261 447 A C 1.638 179.297 177.584 0.125 0.000 1.090 447 A CA -0.265 51.858 52.037 0.143 0.000 0.807 447 A CB 0.052 19.197 19.000 0.242 0.000 1.055 447 A HN 0.955 nan 8.150 nan 0.000 0.492 448 S N 0.361 116.128 115.700 0.112 0.000 2.500 448 S HA -0.159 4.311 4.470 -0.000 0.000 0.239 448 S C 0.877 175.526 174.600 0.081 0.000 0.989 448 S CA 1.169 59.422 58.200 0.088 0.000 0.951 448 S CB -0.562 62.688 63.200 0.083 0.000 0.759 448 S HN 0.878 nan 8.310 nan 0.000 0.523 449 N N 0.888 119.655 118.700 0.112 0.000 2.268 449 N HA 0.260 5.000 4.740 -0.000 0.000 0.204 449 N C 1.168 176.702 175.510 0.040 0.000 1.124 449 N CA 0.469 53.556 53.050 0.062 0.000 0.838 449 N CB -0.326 38.187 38.487 0.044 0.000 0.994 449 N HN 0.523 nan 8.380 nan 0.000 0.489 450 G N 0.045 108.882 108.800 0.063 0.000 2.199 450 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.254 450 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.254 450 G C -0.199 174.731 174.900 0.050 0.000 0.982 450 G CA 0.092 45.219 45.100 0.045 0.000 0.632 450 G HN 0.454 nan 8.290 nan 0.000 0.529 451 K N 2.159 122.599 120.400 0.067 0.000 2.368 451 K HA 0.415 4.735 4.320 -0.000 0.000 0.282 451 K C 0.878 177.555 176.600 0.128 0.000 1.035 451 K CA 0.635 56.961 56.287 0.064 0.000 0.973 451 K CB 0.562 33.061 32.500 -0.002 0.000 0.957 451 K HN 0.403 nan 8.250 nan 0.000 0.474 452 T N 0.383 115.000 114.554 0.105 0.000 2.889 452 T HA 0.543 4.893 4.350 -0.000 0.000 0.291 452 T C 0.201 175.003 174.700 0.169 0.000 0.995 452 T CA -0.753 61.423 62.100 0.127 0.000 1.092 452 T CB 0.598 69.525 68.868 0.100 0.000 0.954 452 T HN 0.352 nan 8.240 nan 0.000 0.506 453 I N 1.505 122.191 120.570 0.194 0.000 2.499 453 I HA 0.316 4.486 4.170 -0.000 0.000 0.288 453 I C 0.003 176.229 176.117 0.182 0.000 1.048 453 I CA -0.746 60.702 61.300 0.246 0.000 1.062 453 I CB 2.235 40.434 38.000 0.332 0.000 1.238 453 I HN 0.744 nan 8.210 nan 0.000 0.426 454 E N 5.797 126.094 120.200 0.163 0.000 2.152 454 E HA 0.315 4.665 4.350 -0.000 0.000 0.285 454 E C -1.029 175.622 176.600 0.085 0.000 1.043 454 E CA -0.590 55.880 56.400 0.116 0.000 0.839 454 E CB 1.201 30.970 29.700 0.115 0.000 1.069 454 E HN 0.352 nan 8.360 nan 0.000 0.399 455 V N 4.842 124.794 119.914 0.064 0.000 2.470 455 V HA 0.142 4.262 4.120 -0.000 0.000 0.276 455 V C 1.159 177.236 176.094 -0.027 0.000 1.040 455 V CA 0.730 63.042 62.300 0.021 0.000 1.008 455 V CB 1.205 33.034 31.823 0.009 0.000 0.990 455 V HN 0.935 nan 8.190 nan 0.000 0.477 456 G N 3.918 112.695 108.800 -0.039 0.000 2.833 456 G HA2 0.083 4.043 3.960 -0.000 0.000 0.210 456 G HA3 0.083 4.043 3.960 -0.000 0.000 0.210 456 G C 0.450 175.311 174.900 -0.065 0.000 1.139 456 G CA 0.065 45.140 45.100 -0.042 0.000 0.771 456 G HN 0.603 nan 8.290 nan 0.000 0.535 457 N N -0.166 118.484 118.700 -0.083 0.000 2.600 457 N HA 0.033 4.773 4.740 -0.000 0.000 0.272 457 N C 0.855 176.305 175.510 -0.100 0.000 1.095 457 N CA 0.298 53.296 53.050 -0.085 0.000 0.993 457 N CB 1.206 39.657 38.487 -0.059 0.000 1.603 457 N HN -0.044 nan 8.380 nan 0.000 0.526 458 T N -1.043 113.420 114.554 -0.152 0.000 3.118 458 T HA -0.024 4.326 4.350 -0.000 0.000 0.260 458 T C 0.881 175.608 174.700 0.045 0.000 1.139 458 T CA 0.832 62.815 62.100 -0.195 0.000 1.085 458 T CB 0.096 68.739 68.868 -0.374 0.000 0.934 458 T HN 0.349 nan 8.240 nan 0.000 0.518 459 D N 1.449 121.851 120.400 0.004 0.000 2.340 459 D HA 0.267 4.907 4.640 -0.000 0.000 0.220 459 D C 1.246 177.551 176.300 0.008 0.000 1.039 459 D CA 0.046 54.054 54.000 0.013 0.000 0.866 459 D CB -0.240 40.554 40.800 -0.010 0.000 0.913 459 D HN 0.522 nan 8.370 nan 0.000 0.523 460 A N 1.048 123.867 122.820 -0.002 0.000 3.105 460 A HA 0.109 4.429 4.320 -0.000 0.000 0.272 460 A C 1.499 179.074 177.584 -0.015 0.000 1.466 460 A CA -0.270 51.746 52.037 -0.035 0.000 1.101 460 A CB -0.325 18.618 19.000 -0.095 0.000 1.065 460 A HN 0.179 nan 8.150 nan 0.000 0.643 461 E N -0.072 120.153 120.200 0.042 0.000 2.230 461 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 461 E C 1.488 178.093 176.600 0.008 0.000 0.987 461 E CA 1.280 57.721 56.400 0.069 0.000 0.841 461 E CB -0.785 28.980 29.700 0.109 0.000 0.783 461 E HN 0.361 nan 8.360 nan 0.000 0.481 462 G N 2.479 111.275 108.800 -0.007 0.000 2.422 462 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 462 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 462 G C 1.869 176.758 174.900 -0.019 0.000 1.140 462 G CA 0.909 46.001 45.100 -0.012 0.000 0.775 462 G HN 0.447 nan 8.290 nan 0.000 0.545 463 R N 0.225 120.699 120.500 -0.043 0.000 2.148 463 R HA 0.172 4.512 4.340 -0.000 0.000 0.223 463 R C 2.148 178.454 176.300 0.010 0.000 1.088 463 R CA 0.814 56.899 56.100 -0.025 0.000 0.985 463 R CB -0.576 29.658 30.300 -0.110 0.000 0.880 463 R HN 0.370 nan 8.270 nan 0.000 0.451 464 L N 1.747 122.943 121.223 -0.045 0.000 2.056 464 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 464 L C 2.802 179.661 176.870 -0.018 0.000 1.078 464 L CA 1.840 56.673 54.840 -0.013 0.000 0.749 464 L CB -0.820 41.237 42.059 -0.003 0.000 0.901 464 L HN 0.422 nan 8.230 nan 0.000 0.433 465 T N -1.995 112.558 114.554 -0.002 0.000 2.857 465 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 465 T C 1.899 176.536 174.700 -0.105 0.000 1.048 465 T CA 0.705 62.800 62.100 -0.008 0.000 1.139 465 T CB -0.491 68.377 68.868 0.002 0.000 0.874 465 T HN 0.185 nan 8.240 nan 0.000 0.455 466 L N 1.162 122.339 121.223 -0.077 0.000 2.046 466 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 466 L C 3.391 180.200 176.870 -0.102 0.000 1.077 466 L CA 1.250 56.052 54.840 -0.064 0.000 0.747 466 L CB -0.908 41.146 42.059 -0.008 0.000 0.896 466 L HN 0.397 nan 8.230 nan 0.000 0.432 467 A N 0.016 122.711 122.820 -0.209 0.000 1.873 467 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 467 A C 1.995 179.409 177.584 -0.282 0.000 1.193 467 A CA 2.230 53.937 52.037 -0.550 0.000 0.629 467 A CB -0.641 17.561 19.000 -1.330 0.000 0.826 467 A HN 0.369 nan 8.150 nan 0.000 0.447 468 D N -0.307 120.002 120.400 -0.152 0.000 2.178 468 D HA -0.029 4.611 4.640 -0.000 0.000 0.201 468 D C 2.164 178.516 176.300 0.087 0.000 0.980 468 D CA 1.394 55.400 54.000 0.011 0.000 0.842 468 D CB -0.295 40.562 40.800 0.095 0.000 0.948 468 D HN 0.441 nan 8.370 nan 0.000 0.472 469 A N 0.286 123.142 122.820 0.059 0.000 2.014 469 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 469 A C 2.341 180.032 177.584 0.179 0.000 1.163 469 A CA 0.584 52.725 52.037 0.173 0.000 0.652 469 A CB -0.439 18.552 19.000 -0.014 0.000 0.808 469 A HN 0.189 nan 8.150 nan 0.000 0.449 470 L N -0.814 120.460 121.223 0.086 0.000 2.131 470 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 470 L C 2.461 179.377 176.870 0.075 0.000 1.087 470 L CA 0.659 55.538 54.840 0.064 0.000 0.767 470 L CB -0.513 41.525 42.059 -0.036 0.000 0.917 470 L HN 0.212 nan 8.230 nan 0.000 0.441 471 V N -0.643 119.328 119.914 0.095 0.000 2.287 471 V HA -0.361 3.759 4.120 -0.000 0.000 0.248 471 V C 2.263 178.407 176.094 0.082 0.000 1.053 471 V CA 2.039 64.391 62.300 0.087 0.000 1.027 471 V CB -0.721 31.169 31.823 0.111 0.000 0.646 471 V HN 0.379 nan 8.190 nan 0.000 0.447 472 Y N 1.256 121.549 120.300 -0.011 0.000 2.114 472 Y HA -0.324 4.226 4.550 -0.000 0.000 0.282 472 Y C 2.420 178.295 175.900 -0.042 0.000 1.165 472 Y CA 2.041 60.109 58.100 -0.054 0.000 1.148 472 Y CB -0.503 37.903 38.460 -0.090 0.000 0.972 472 Y HN 0.167 nan 8.280 nan 0.000 0.504 473 A N -0.125 122.822 122.820 0.212 0.000 1.902 473 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 473 A C 2.189 179.769 177.584 -0.007 0.000 1.181 473 A CA 1.920 54.021 52.037 0.107 0.000 0.623 473 A CB -0.917 18.175 19.000 0.153 0.000 0.818 473 A HN 0.648 nan 8.150 nan 0.000 0.443 474 E N -0.302 119.900 120.200 0.004 0.000 2.153 474 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 474 E C 1.813 178.370 176.600 -0.070 0.000 0.988 474 E CA 1.214 57.602 56.400 -0.019 0.000 0.811 474 E CB -0.070 29.622 29.700 -0.013 0.000 0.746 474 E HN 0.592 nan 8.360 nan 0.000 0.466 475 K N -0.005 120.323 120.400 -0.120 0.000 2.439 475 K HA -0.018 4.302 4.320 -0.000 0.000 0.197 475 K C 1.756 178.235 176.600 -0.202 0.000 1.041 475 K CA 0.308 56.500 56.287 -0.159 0.000 0.970 475 K CB 0.120 32.497 32.500 -0.204 0.000 0.773 475 K HN 0.209 nan 8.250 nan 0.000 0.479 476 L N -0.156 120.923 121.223 -0.239 0.000 2.465 476 L HA 0.007 4.347 4.340 -0.000 0.000 0.224 476 L C 0.953 177.749 176.870 -0.123 0.000 1.145 476 L CA 0.521 55.218 54.840 -0.238 0.000 0.834 476 L CB -0.436 41.391 42.059 -0.387 0.000 0.944 476 L HN 0.333 nan 8.230 nan 0.000 0.451 477 G N 0.743 109.493 108.800 -0.084 0.000 2.289 477 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.280 477 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.280 477 G C -0.192 174.695 174.900 -0.023 0.000 1.089 477 G CA 0.107 45.180 45.100 -0.046 0.000 0.939 477 G HN 0.099 nan 8.290 nan 0.000 0.499 478 V N -0.142 119.765 119.914 -0.012 0.000 2.834 478 V HA 0.446 4.566 4.120 -0.000 0.000 0.313 478 V C 1.180 177.254 176.094 -0.032 0.000 1.060 478 V CA -0.056 62.253 62.300 0.015 0.000 0.989 478 V CB 1.503 33.362 31.823 0.059 0.000 1.041 478 V HN 0.353 nan 8.190 nan 0.000 0.459 479 D N 1.691 122.024 120.400 -0.112 0.000 2.183 479 D HA 0.019 4.659 4.640 -0.000 0.000 0.205 479 D C -0.630 175.426 176.300 -0.407 0.000 0.962 479 D CA 1.570 55.375 54.000 -0.325 0.000 0.849 479 D CB 0.255 40.725 40.800 -0.549 0.000 0.978 479 D HN 0.485 nan 8.370 nan 0.000 0.488 480 Y N -0.426 119.953 120.300 0.131 0.000 2.492 480 Y HA 0.476 5.026 4.550 -0.000 0.000 0.346 480 Y C -0.195 175.816 175.900 0.184 0.000 0.997 480 Y CA -0.936 57.268 58.100 0.173 0.000 1.025 480 Y CB 1.775 40.386 38.460 0.252 0.000 1.263 480 Y HN -0.312 nan 8.280 nan 0.000 0.454 481 I N 3.462 124.261 120.570 0.382 0.000 2.406 481 I HA 0.573 4.743 4.170 -0.000 0.000 0.290 481 I C -1.056 175.237 176.117 0.293 0.000 0.999 481 I CA -0.984 60.517 61.300 0.336 0.000 1.124 481 I CB 1.596 39.820 38.000 0.374 0.000 1.289 481 I HN 0.243 nan 8.210 nan 0.000 0.441 482 V N 4.794 124.815 119.914 0.178 0.000 2.487 482 V HA 0.335 4.455 4.120 -0.000 0.000 0.298 482 V C -0.711 175.450 176.094 0.111 0.000 1.028 482 V CA -0.584 61.734 62.300 0.030 0.000 0.860 482 V CB 1.963 33.679 31.823 -0.177 0.000 0.991 482 V HN 0.869 nan 8.190 nan 0.000 0.427 483 D N 3.859 124.358 120.400 0.165 0.000 2.299 483 D HA 0.714 5.354 4.640 -0.000 0.000 0.243 483 D C -0.659 175.737 176.300 0.160 0.000 0.982 483 D CA -0.625 53.503 54.000 0.213 0.000 0.924 483 D CB 2.535 43.543 40.800 0.347 0.000 1.238 483 D HN 0.524 nan 8.370 nan 0.000 0.484 484 I N 0.475 121.126 120.570 0.134 0.000 2.534 484 I HA 0.712 4.882 4.170 -0.000 0.000 0.288 484 I C -1.852 174.315 176.117 0.084 0.000 1.077 484 I CA -0.536 60.815 61.300 0.086 0.000 1.051 484 I CB 1.379 39.415 38.000 0.059 0.000 1.234 484 I HN 0.803 nan 8.210 nan 0.000 0.425 485 A N 3.444 126.308 122.820 0.072 0.000 2.540 485 A HA 0.552 4.872 4.320 -0.000 0.000 0.297 485 A C -0.489 177.092 177.584 -0.005 0.000 1.056 485 A CA -0.443 51.626 52.037 0.054 0.000 0.700 485 A CB 1.302 20.398 19.000 0.160 0.000 1.280 485 A HN 0.678 nan 8.150 nan 0.000 0.398 486 T N 1.413 115.897 114.554 -0.117 0.000 3.781 486 T HA 0.332 4.682 4.350 -0.000 0.000 0.286 486 T C 0.773 175.444 174.700 -0.049 0.000 1.277 486 T CA -0.090 61.902 62.100 -0.179 0.000 1.136 486 T CB -0.265 68.243 68.868 -0.599 0.000 1.202 486 T HN 0.531 nan 8.240 nan 0.000 0.884 487 L N 2.925 124.180 121.223 0.053 0.000 2.130 487 L HA 0.282 4.622 4.340 -0.000 0.000 0.200 487 L C 1.208 178.131 176.870 0.089 0.000 1.075 487 L CA 1.278 56.173 54.840 0.091 0.000 0.768 487 L CB -0.021 42.153 42.059 0.191 0.000 0.933 487 L HN 0.827 nan 8.230 nan 0.000 0.451 488 T N -4.277 110.349 114.554 0.119 0.000 2.879 488 T HA 0.482 4.832 4.350 -0.000 0.000 0.290 488 T C 0.946 175.734 174.700 0.147 0.000 0.993 488 T CA -0.321 61.849 62.100 0.117 0.000 0.975 488 T CB 1.294 70.230 68.868 0.115 0.000 0.981 488 T HN 0.177 nan 8.240 nan 0.000 0.439 489 G N 1.706 110.592 108.800 0.145 0.000 2.485 489 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.221 489 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.221 489 G C 1.598 176.632 174.900 0.223 0.000 1.115 489 G CA 0.693 45.899 45.100 0.176 0.000 0.751 489 G HN 1.176 nan 8.290 nan 0.000 0.567 490 A N 0.430 123.366 122.820 0.194 0.000 2.076 490 A HA -0.016 4.304 4.320 -0.000 0.000 0.220 490 A C 2.351 180.089 177.584 0.256 0.000 1.160 490 A CA 1.707 53.884 52.037 0.233 0.000 0.653 490 A CB -0.298 18.783 19.000 0.136 0.000 0.801 490 A HN 0.320 nan 8.150 nan 0.000 0.455 491 M N -0.470 119.251 119.600 0.202 0.000 2.159 491 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 491 M C 2.003 178.362 176.300 0.098 0.000 1.063 491 M CA 1.109 56.506 55.300 0.160 0.000 1.110 491 M CB -1.355 31.332 32.600 0.145 0.000 1.374 491 M HN 0.437 nan 8.290 nan 0.000 0.411 492 L N -1.539 119.726 121.223 0.069 0.000 2.127 492 L HA -0.248 4.092 4.340 -0.000 0.000 0.211 492 L C 2.048 178.735 176.870 -0.305 0.000 1.089 492 L CA 1.390 56.155 54.840 -0.125 0.000 0.757 492 L CB -0.738 41.188 42.059 -0.222 0.000 0.899 492 L HN 0.251 nan 8.230 nan 0.000 0.434 493 Y N -1.182 119.121 120.300 0.004 0.000 2.517 493 Y HA -0.071 4.479 4.550 -0.000 0.000 0.281 493 Y C 2.703 178.596 175.900 -0.012 0.000 1.125 493 Y CA 0.759 58.854 58.100 -0.010 0.000 1.283 493 Y CB -0.008 38.450 38.460 -0.003 0.000 1.042 493 Y HN 0.227 nan 8.280 nan 0.000 0.547 494 S N -1.263 114.502 115.700 0.108 0.000 2.517 494 S HA 0.107 4.577 4.470 -0.000 0.000 0.228 494 S C 1.440 176.019 174.600 -0.034 0.000 1.060 494 S CA 0.300 58.535 58.200 0.058 0.000 0.937 494 S CB -0.386 62.875 63.200 0.102 0.000 0.840 494 S HN 0.325 nan 8.310 nan 0.000 0.546 495 L N 0.836 122.040 121.223 -0.032 0.000 2.642 495 L HA 0.432 4.772 4.340 -0.000 0.000 0.233 495 L C 1.510 178.314 176.870 -0.110 0.000 1.077 495 L CA 0.334 55.115 54.840 -0.098 0.000 0.879 495 L CB -0.143 41.907 42.059 -0.016 0.000 1.151 495 L HN 0.678 nan 8.230 nan 0.000 0.495 496 G N 1.265 110.021 108.800 -0.073 0.000 2.512 496 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.240 496 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.240 496 G C 0.568 175.461 174.900 -0.012 0.000 1.246 496 G CA 0.219 45.267 45.100 -0.086 0.000 0.919 496 G HN 0.197 nan 8.290 nan 0.000 0.577 497 T N -2.744 111.821 114.554 0.018 0.000 3.086 497 T HA 0.486 4.836 4.350 -0.000 0.000 0.250 497 T C 2.041 176.808 174.700 0.112 0.000 1.074 497 T CA 1.633 63.798 62.100 0.107 0.000 0.988 497 T CB 0.465 69.440 68.868 0.178 0.000 0.988 497 T HN 0.638 nan 8.240 nan 0.000 0.530 498 S N -0.204 115.563 115.700 0.113 0.000 2.452 498 S HA 0.312 4.782 4.470 -0.000 0.000 0.225 498 S C -0.074 174.768 174.600 0.404 0.000 1.057 498 S CA -0.178 58.167 58.200 0.242 0.000 0.949 498 S CB -0.050 63.302 63.200 0.254 0.000 0.836 498 S HN 0.626 nan 8.310 nan 0.000 0.518 499 Y N 1.033 121.342 120.300 0.016 0.000 2.352 499 Y HA 0.635 5.185 4.550 -0.000 0.000 0.339 499 Y C 0.312 176.193 175.900 -0.033 0.000 0.992 499 Y CA -1.397 56.732 58.100 0.048 0.000 1.100 499 Y CB 1.153 39.658 38.460 0.074 0.000 1.192 499 Y HN 0.154 nan 8.280 nan 0.000 0.458 500 A N 2.079 124.930 122.820 0.052 0.000 2.332 500 A HA 0.642 4.962 4.320 -0.000 0.000 0.258 500 A C 0.331 177.968 177.584 0.088 0.000 1.087 500 A CA -0.003 52.001 52.037 -0.055 0.000 0.802 500 A CB 0.197 19.082 19.000 -0.192 0.000 1.042 500 A HN 0.852 nan 8.150 nan 0.000 0.489 501 G N -1.030 107.801 108.800 0.052 0.000 2.371 501 G HA2 0.530 4.490 3.960 -0.000 0.000 0.326 501 G HA3 0.530 4.490 3.960 -0.000 0.000 0.326 501 G C -1.028 173.813 174.900 -0.099 0.000 1.127 501 G CA -0.290 44.810 45.100 0.001 0.000 0.885 501 G HN 1.258 nan 8.290 nan 0.000 0.477 502 V N 2.237 122.031 119.914 -0.199 0.000 2.540 502 V HA 0.844 4.964 4.120 -0.000 0.000 0.302 502 V C -1.278 174.663 176.094 -0.255 0.000 1.035 502 V CA -0.932 61.265 62.300 -0.173 0.000 0.873 502 V CB 1.055 32.786 31.823 -0.154 0.000 0.992 502 V HN 0.554 nan 8.190 nan 0.000 0.428 503 F N 4.271 124.212 119.950 -0.014 0.000 2.577 503 F HA 0.978 5.505 4.527 -0.000 0.000 0.318 503 F C 0.680 176.354 175.800 -0.211 0.000 1.065 503 F CA -0.072 57.968 58.000 0.066 0.000 0.929 503 F CB 2.561 41.653 39.000 0.154 0.000 1.237 503 F HN 0.795 nan 8.300 nan 0.000 0.468 504 G N 0.520 109.358 108.800 0.064 0.000 2.550 504 G HA2 0.267 4.227 3.960 -0.000 0.000 0.293 504 G HA3 0.267 4.227 3.960 -0.000 0.000 0.293 504 G C -1.239 173.717 174.900 0.094 0.000 1.402 504 G CA -0.867 44.087 45.100 -0.243 0.000 0.784 504 G HN 0.613 nan 8.290 nan 0.000 0.482 505 N N -0.491 118.320 118.700 0.186 0.000 2.203 505 N HA 0.103 4.843 4.740 -0.000 0.000 0.207 505 N C -0.092 175.524 175.510 0.176 0.000 1.130 505 N CA -0.303 52.922 53.050 0.292 0.000 0.861 505 N CB 0.630 39.394 38.487 0.461 0.000 1.005 505 N HN 0.457 nan 8.380 nan 0.000 0.507 506 N N 0.498 119.250 118.700 0.086 0.000 2.542 506 N HA 0.076 4.816 4.740 -0.000 0.000 0.288 506 N C -0.519 174.952 175.510 -0.065 0.000 1.115 506 N CA -0.095 52.984 53.050 0.049 0.000 0.924 506 N CB 1.731 40.276 38.487 0.095 0.000 1.526 506 N HN 0.011 nan 8.380 nan 0.000 0.515 507 E N 0.898 121.053 120.200 -0.075 0.000 2.106 507 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 507 E C 0.927 177.396 176.600 -0.218 0.000 0.984 507 E CA 1.317 57.591 56.400 -0.210 0.000 0.806 507 E CB 0.443 30.066 29.700 -0.128 0.000 0.750 507 E HN 0.581 nan 8.360 nan 0.000 0.458 508 E N 0.387 120.524 120.200 -0.105 0.000 2.058 508 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 508 E C 1.977 178.499 176.600 -0.130 0.000 0.997 508 E CA 1.098 57.448 56.400 -0.083 0.000 0.801 508 E CB -0.556 29.147 29.700 0.005 0.000 0.746 508 E HN 0.256 nan 8.360 nan 0.000 0.450 509 L N 0.423 121.567 121.223 -0.130 0.000 2.012 509 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 509 L C 2.298 178.987 176.870 -0.302 0.000 1.073 509 L CA 1.736 56.438 54.840 -0.229 0.000 0.748 509 L CB -0.623 41.331 42.059 -0.175 0.000 0.891 509 L HN 0.241 nan 8.230 nan 0.000 0.431 510 I N -0.056 120.294 120.570 -0.366 0.000 2.118 510 I HA -0.365 3.805 4.170 -0.000 0.000 0.241 510 I C 2.148 177.991 176.117 -0.457 0.000 1.070 510 I CA 1.512 62.506 61.300 -0.511 0.000 1.327 510 I CB -0.565 36.929 38.000 -0.843 0.000 1.034 510 I HN 0.394 nan 8.210 nan 0.000 0.405 511 N N 0.939 119.398 118.700 -0.403 0.000 2.149 511 N HA -0.194 4.546 4.740 -0.000 0.000 0.188 511 N C 1.722 177.120 175.510 -0.187 0.000 1.019 511 N CA 1.326 54.206 53.050 -0.283 0.000 0.857 511 N CB -0.239 38.117 38.487 -0.218 0.000 0.997 511 N HN 0.422 nan 8.380 nan 0.000 0.426 512 K N 0.105 120.413 120.400 -0.154 0.000 2.103 512 K HA 0.042 4.362 4.320 -0.000 0.000 0.204 512 K C 1.765 178.354 176.600 -0.018 0.000 1.052 512 K CA 0.478 56.740 56.287 -0.041 0.000 0.945 512 K CB 0.092 32.618 32.500 0.042 0.000 0.722 512 K HN 0.059 nan 8.250 nan 0.000 0.443 513 I N 1.556 122.018 120.570 -0.181 0.000 2.226 513 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 513 I C 2.180 178.197 176.117 -0.166 0.000 1.100 513 I CA 1.506 62.657 61.300 -0.249 0.000 1.374 513 I CB -1.038 36.739 38.000 -0.372 0.000 1.057 513 I HN 0.169 nan 8.210 nan 0.000 0.413 514 L N -0.099 121.011 121.223 -0.189 0.000 2.093 514 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 514 L C 2.624 179.428 176.870 -0.110 0.000 1.085 514 L CA 1.133 55.876 54.840 -0.162 0.000 0.755 514 L CB -0.606 41.330 42.059 -0.205 0.000 0.904 514 L HN 0.259 nan 8.230 nan 0.000 0.435 515 Q N 0.320 120.066 119.800 -0.090 0.000 2.084 515 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 515 Q C 2.211 178.193 176.000 -0.030 0.000 0.978 515 Q CA 2.306 58.077 55.803 -0.054 0.000 0.844 515 Q CB -0.200 28.513 28.738 -0.041 0.000 0.898 515 Q HN 0.332 nan 8.270 nan 0.000 0.426 516 S N -0.368 115.328 115.700 -0.006 0.000 2.423 516 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 516 S C 1.910 176.491 174.600 -0.032 0.000 1.014 516 S CA 0.925 59.135 58.200 0.016 0.000 0.965 516 S CB -0.500 62.751 63.200 0.084 0.000 0.785 516 S HN 0.518 nan 8.310 nan 0.000 0.495 517 S N 1.480 117.141 115.700 -0.065 0.000 2.368 517 S HA -0.155 4.315 4.470 -0.000 0.000 0.225 517 S C 2.048 176.591 174.600 -0.094 0.000 1.030 517 S CA 1.705 59.851 58.200 -0.090 0.000 0.999 517 S CB -0.263 62.883 63.200 -0.090 0.000 0.844 517 S HN 0.440 nan 8.310 nan 0.000 0.459 518 K N 0.474 120.828 120.400 -0.076 0.000 2.097 518 K HA -0.046 4.274 4.320 -0.000 0.000 0.205 518 K C 2.419 178.985 176.600 -0.058 0.000 1.050 518 K CA 1.943 58.188 56.287 -0.071 0.000 0.938 518 K CB -1.405 31.063 32.500 -0.053 0.000 0.718 518 K HN 0.880 nan 8.250 nan 0.000 0.442 519 T N -1.786 112.751 114.554 -0.028 0.000 3.014 519 T HA -0.036 4.314 4.350 -0.000 0.000 0.263 519 T C 2.018 176.736 174.700 0.031 0.000 1.078 519 T CA 1.310 63.414 62.100 0.005 0.000 1.135 519 T CB -0.311 68.573 68.868 0.027 0.000 0.895 519 T HN 0.457 nan 8.240 nan 0.000 0.480 520 S N 1.534 117.239 115.700 0.009 0.000 2.501 520 S HA 0.083 4.553 4.470 -0.000 0.000 0.220 520 S C 1.026 175.608 174.600 -0.030 0.000 0.997 520 S CA 0.093 58.316 58.200 0.039 0.000 0.919 520 S CB -0.622 62.559 63.200 -0.032 0.000 0.778 520 S HN 0.546 nan 8.310 nan 0.000 0.523 521 N N 1.587 120.198 118.700 -0.148 0.000 2.741 521 N HA -0.128 4.612 4.740 -0.000 0.000 0.250 521 N C -1.235 174.120 175.510 -0.259 0.000 1.115 521 N CA 0.967 53.822 53.050 -0.326 0.000 0.724 521 N CB -1.263 36.737 38.487 -0.813 0.000 1.090 521 N HN 0.721 nan 8.380 nan 0.000 0.558 522 E N 1.071 121.151 120.200 -0.199 0.000 2.073 522 E HA 0.259 4.609 4.350 -0.000 0.000 0.269 522 E C -2.332 174.213 176.600 -0.092 0.000 0.917 522 E CA -1.542 54.714 56.400 -0.239 0.000 0.757 522 E CB 1.441 30.758 29.700 -0.639 0.000 1.111 522 E HN 0.122 nan 8.360 nan 0.000 0.410 523 P HA 0.137 nan 4.420 nan 0.000 0.280 523 P C -0.479 176.788 177.300 -0.055 0.000 1.244 523 P CA -0.215 62.744 63.100 -0.234 0.000 0.784 523 P CB 1.320 32.614 31.700 -0.676 0.000 0.913 524 V N 3.756 123.629 119.914 -0.069 0.000 2.962 524 V HA 0.509 4.629 4.120 -0.000 0.000 0.313 524 V C -0.860 175.349 176.094 0.191 0.000 1.099 524 V CA -0.588 61.766 62.300 0.090 0.000 0.971 524 V CB 3.161 35.016 31.823 0.053 0.000 1.028 524 V HN 0.672 nan 8.190 nan 0.000 0.430 525 W N 3.048 124.379 121.300 0.052 0.000 2.900 525 W HA 0.371 5.031 4.660 -0.000 0.000 0.336 525 W C -1.563 174.992 176.519 0.061 0.000 1.064 525 W CA -0.869 56.537 57.345 0.101 0.000 1.237 525 W CB 1.965 31.537 29.460 0.186 0.000 1.391 525 W HN 0.762 nan 8.180 nan 0.000 0.468 526 W N 7.873 128.910 121.300 -0.438 0.000 2.368 526 W HA 0.429 5.089 4.660 -0.000 0.000 0.316 526 W C -1.231 175.145 176.519 -0.238 0.000 1.375 526 W CA -0.432 56.699 57.345 -0.358 0.000 1.261 526 W CB 0.054 29.284 29.460 -0.384 0.000 1.298 526 W HN 0.206 nan 8.180 nan 0.000 0.539 527 L N 9.289 130.355 121.223 -0.263 0.000 2.330 527 L HA 0.540 4.880 4.340 -0.000 0.000 0.271 527 L C -1.670 174.986 176.870 -0.356 0.000 1.013 527 L CA -2.238 52.349 54.840 -0.422 0.000 0.816 527 L CB 2.134 43.819 42.059 -0.624 0.000 1.287 527 L HN 0.284 nan 8.230 nan 0.000 0.435 528 P HA 0.303 nan 4.420 nan 0.000 0.284 528 P C -0.972 176.515 177.300 0.311 0.000 1.258 528 P CA -0.362 62.733 63.100 -0.007 0.000 0.824 528 P CB 1.407 33.050 31.700 -0.096 0.000 1.038 529 I N 3.335 124.086 120.570 0.301 0.000 2.291 529 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 529 I C 0.568 176.763 176.117 0.130 0.000 1.050 529 I CA -0.614 60.861 61.300 0.292 0.000 1.245 529 I CB 0.417 38.613 38.000 0.326 0.000 1.405 529 I HN 0.120 nan 8.210 nan 0.000 0.478 530 I N 6.799 127.399 120.570 0.049 0.000 2.291 530 I HA 0.103 4.273 4.170 -0.000 0.000 0.292 530 I C 1.225 177.225 176.117 -0.194 0.000 1.064 530 I CA -0.192 61.000 61.300 -0.181 0.000 1.269 530 I CB 0.372 38.057 38.000 -0.525 0.000 1.418 530 I HN 0.572 nan 8.210 nan 0.000 0.485 531 N N 4.365 123.006 118.700 -0.097 0.000 2.381 531 N HA -0.178 4.562 4.740 -0.000 0.000 0.182 531 N C 1.570 177.045 175.510 -0.059 0.000 1.025 531 N CA 0.784 53.812 53.050 -0.036 0.000 0.888 531 N CB 0.111 38.598 38.487 -0.000 0.000 0.965 531 N HN 0.611 nan 8.380 nan 0.000 0.438 532 E N 0.400 120.509 120.200 -0.152 0.000 2.219 532 E HA -0.184 4.166 4.350 -0.000 0.000 0.198 532 E C 0.745 177.357 176.600 0.021 0.000 0.998 532 E CA 1.035 57.369 56.400 -0.109 0.000 0.818 532 E CB -0.063 29.535 29.700 -0.169 0.000 0.741 532 E HN 0.578 nan 8.360 nan 0.000 0.477 533 Y N -1.202 119.128 120.300 0.051 0.000 2.529 533 Y HA 0.033 4.583 4.550 -0.000 0.000 0.290 533 Y C 2.180 178.111 175.900 0.053 0.000 1.177 533 Y CA -0.260 57.871 58.100 0.051 0.000 1.305 533 Y CB 0.160 38.655 38.460 0.058 0.000 1.047 533 Y HN -0.036 nan 8.280 nan 0.000 0.522 534 R N 1.933 122.531 120.500 0.163 0.000 2.092 534 R HA -0.109 4.231 4.340 -0.000 0.000 0.231 534 R C 2.187 178.547 176.300 0.100 0.000 1.119 534 R CA 1.478 57.650 56.100 0.120 0.000 0.970 534 R CB -0.826 29.518 30.300 0.073 0.000 0.864 534 R HN 0.212 nan 8.270 nan 0.000 0.440 535 A N -0.280 122.592 122.820 0.087 0.000 2.032 535 A HA -0.183 4.136 4.320 -0.000 0.000 0.221 535 A C 2.022 179.649 177.584 0.071 0.000 1.165 535 A CA 2.095 54.172 52.037 0.067 0.000 0.645 535 A CB -1.200 17.834 19.000 0.057 0.000 0.807 535 A HN 0.644 nan 8.150 nan 0.000 0.453 536 T N -2.562 112.046 114.554 0.091 0.000 3.160 536 T HA 0.202 4.552 4.350 -0.000 0.000 0.257 536 T C 1.167 175.911 174.700 0.074 0.000 1.147 536 T CA 0.740 62.882 62.100 0.071 0.000 1.064 536 T CB -0.351 68.551 68.868 0.057 0.000 0.949 536 T HN 0.340 nan 8.240 nan 0.000 0.526 537 L N 0.646 121.927 121.223 0.096 0.000 2.628 537 L HA 0.320 4.660 4.340 -0.000 0.000 0.229 537 L C 0.189 177.116 176.870 0.095 0.000 1.137 537 L CA -0.480 54.430 54.840 0.116 0.000 0.909 537 L CB -0.412 41.750 42.059 0.172 0.000 1.137 537 L HN 0.121 nan 8.230 nan 0.000 0.470 538 N N 1.092 119.831 118.700 0.065 0.000 2.475 538 N HA 0.028 4.768 4.740 -0.000 0.000 0.267 538 N C -0.077 175.459 175.510 0.043 0.000 1.169 538 N CA 0.304 53.381 53.050 0.044 0.000 0.947 538 N CB 1.284 39.786 38.487 0.025 0.000 1.061 538 N HN -0.053 nan 8.380 nan 0.000 0.466 539 S N 1.293 117.021 115.700 0.046 0.000 2.525 539 S HA 0.230 4.700 4.470 -0.000 0.000 0.290 539 S C 1.152 175.751 174.600 -0.002 0.000 1.152 539 S CA -0.677 57.555 58.200 0.052 0.000 1.072 539 S CB 1.199 64.455 63.200 0.094 0.000 1.027 539 S HN 0.491 nan 8.310 nan 0.000 0.500 540 K N 3.171 123.550 120.400 -0.036 0.000 2.211 540 K HA 0.039 4.359 4.320 -0.000 0.000 0.203 540 K C 0.474 176.814 176.600 -0.432 0.000 1.050 540 K CA 1.830 57.977 56.287 -0.233 0.000 0.945 540 K CB -0.240 32.094 32.500 -0.276 0.000 0.732 540 K HN 0.783 nan 8.250 nan 0.000 0.451 541 Y N -1.488 118.826 120.300 0.023 0.000 2.664 541 Y HA 0.458 5.008 4.550 -0.000 0.000 0.278 541 Y C 0.831 176.749 175.900 0.029 0.000 1.130 541 Y CA 0.039 58.152 58.100 0.023 0.000 1.260 541 Y CB 0.078 38.550 38.460 0.020 0.000 1.369 541 Y HN 0.002 nan 8.280 nan 0.000 0.499 542 A N 0.058 122.982 122.820 0.173 0.000 2.248 542 A HA 0.278 4.598 4.320 -0.000 0.000 0.316 542 A C 0.561 178.197 177.584 0.088 0.000 1.101 542 A CA -0.131 51.984 52.037 0.130 0.000 0.875 542 A CB 0.193 19.278 19.000 0.142 0.000 1.207 542 A HN 0.227 nan 8.150 nan 0.000 0.504 543 D N -0.726 119.721 120.400 0.079 0.000 2.178 543 D HA 0.055 4.695 4.640 -0.000 0.000 0.202 543 D C 0.270 176.604 176.300 0.055 0.000 0.974 543 D CA 1.574 55.601 54.000 0.045 0.000 0.841 543 D CB 0.140 40.953 40.800 0.021 0.000 0.953 543 D HN 0.414 nan 8.370 nan 0.000 0.478 544 I N -0.223 120.413 120.570 0.111 0.000 2.842 544 I HA 0.122 4.292 4.170 -0.000 0.000 0.297 544 I C -1.484 174.762 176.117 0.215 0.000 1.380 544 I CA -0.759 60.631 61.300 0.151 0.000 1.018 544 I CB 2.030 40.117 38.000 0.146 0.000 1.311 544 I HN -0.339 nan 8.210 nan 0.000 0.439 545 N N 4.896 123.717 118.700 0.202 0.000 2.524 545 N HA 0.158 4.898 4.740 -0.000 0.000 0.283 545 N C 0.253 175.892 175.510 0.215 0.000 1.142 545 N CA -0.226 52.928 53.050 0.173 0.000 0.984 545 N CB 1.678 40.230 38.487 0.108 0.000 1.155 545 N HN 0.657 nan 8.380 nan 0.000 0.467 546 Q N 1.616 121.443 119.800 0.044 0.000 2.123 546 Q HA -0.020 4.320 4.340 -0.000 0.000 0.199 546 Q C 0.282 176.108 176.000 -0.290 0.000 0.966 546 Q CA 1.068 56.675 55.803 -0.328 0.000 0.845 546 Q CB 0.204 28.796 28.738 -0.244 0.000 0.907 546 Q HN 0.752 nan 8.270 nan 0.000 0.439 547 I N -3.397 117.115 120.570 -0.097 0.000 3.042 547 I HA 0.491 4.661 4.170 -0.000 0.000 0.310 547 I C -0.587 175.524 176.117 -0.009 0.000 1.117 547 I CA -1.234 60.024 61.300 -0.069 0.000 1.003 547 I CB 2.126 40.084 38.000 -0.070 0.000 1.228 547 I HN -0.246 nan 8.210 nan 0.000 0.443 548 S N 1.069 116.763 115.700 -0.010 0.000 2.537 548 S HA 0.285 4.755 4.470 -0.000 0.000 0.275 548 S C 0.966 175.555 174.600 -0.019 0.000 1.272 548 S CA -0.003 58.195 58.200 -0.003 0.000 1.050 548 S CB 0.915 64.103 63.200 -0.020 0.000 0.961 548 S HN 0.822 nan 8.310 nan 0.000 0.496 549 S N 2.912 118.606 115.700 -0.010 0.000 2.528 549 S HA 0.000 4.470 4.470 -0.000 0.000 0.219 549 S C 1.506 176.089 174.600 -0.029 0.000 0.985 549 S CA 0.595 58.784 58.200 -0.018 0.000 0.914 549 S CB -0.166 63.029 63.200 -0.008 0.000 0.776 549 S HN 0.791 nan 8.310 nan 0.000 0.526 550 S N 0.146 115.825 115.700 -0.035 0.000 2.527 550 S HA 0.324 4.794 4.470 -0.000 0.000 0.227 550 S C 0.359 174.906 174.600 -0.089 0.000 1.059 550 S CA -0.234 57.937 58.200 -0.048 0.000 0.919 550 S CB -0.251 62.931 63.200 -0.029 0.000 0.805 550 S HN 0.225 nan 8.310 nan 0.000 0.500 551 V N 3.259 123.095 119.914 -0.130 0.000 2.509 551 V HA 0.407 4.527 4.120 -0.000 0.000 0.284 551 V C 0.542 176.524 176.094 -0.187 0.000 1.047 551 V CA -0.490 61.663 62.300 -0.244 0.000 0.952 551 V CB 1.626 33.198 31.823 -0.419 0.000 0.988 551 V HN 0.274 nan 8.190 nan 0.000 0.469 552 K N 2.910 123.201 120.400 -0.182 0.000 2.367 552 K HA 0.268 4.588 4.320 -0.000 0.000 0.194 552 K C 0.976 177.518 176.600 -0.097 0.000 1.027 552 K CA 0.356 56.570 56.287 -0.121 0.000 1.075 552 K CB 0.482 32.919 32.500 -0.106 0.000 0.845 552 K HN 0.658 nan 8.250 nan 0.000 0.529 553 A N 2.456 125.202 122.820 -0.123 0.000 3.026 553 A HA 0.088 4.407 4.320 -0.000 0.000 0.272 553 A C 1.401 178.993 177.584 0.014 0.000 1.782 553 A CA 0.056 52.079 52.037 -0.023 0.000 1.451 553 A CB -0.609 18.402 19.000 0.020 0.000 1.081 553 A HN 0.253 nan 8.150 nan 0.000 0.611 554 S N 0.269 115.978 115.700 0.015 0.000 2.453 554 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 554 S C 1.722 176.349 174.600 0.044 0.000 1.005 554 S CA 1.464 59.674 58.200 0.016 0.000 0.949 554 S CB -0.260 62.941 63.200 0.003 0.000 0.774 554 S HN 0.540 nan 8.310 nan 0.000 0.510 555 S N 1.871 117.626 115.700 0.093 0.000 2.402 555 S HA 0.179 4.649 4.470 -0.000 0.000 0.229 555 S C 1.700 176.240 174.600 -0.100 0.000 1.021 555 S CA 1.115 59.365 58.200 0.084 0.000 0.974 555 S CB -0.421 62.947 63.200 0.280 0.000 0.800 555 S HN 0.544 nan 8.310 nan 0.000 0.484 556 I N 0.859 121.470 120.570 0.068 0.000 2.333 556 I HA -0.076 4.094 4.170 -0.000 0.000 0.246 556 I C 2.099 178.272 176.117 0.093 0.000 1.106 556 I CA 0.697 62.057 61.300 0.100 0.000 1.411 556 I CB -0.391 37.816 38.000 0.344 0.000 1.082 556 I HN 0.131 nan 8.210 nan 0.000 0.420 557 V N 1.300 121.278 119.914 0.107 0.000 2.343 557 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 557 V C 2.774 178.928 176.094 0.100 0.000 1.051 557 V CA 2.019 64.388 62.300 0.115 0.000 1.036 557 V CB -1.008 30.850 31.823 0.058 0.000 0.654 557 V HN 0.479 nan 8.190 nan 0.000 0.451 558 A N -0.252 122.590 122.820 0.036 0.000 1.933 558 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 558 A C 2.480 180.094 177.584 0.049 0.000 1.175 558 A CA 2.245 54.303 52.037 0.035 0.000 0.628 558 A CB -0.698 18.295 19.000 -0.012 0.000 0.814 558 A HN 0.522 nan 8.150 nan 0.000 0.444 559 S N -0.044 115.620 115.700 -0.061 0.000 2.370 559 S HA -0.131 4.339 4.470 -0.000 0.000 0.226 559 S C 1.799 176.526 174.600 0.212 0.000 1.033 559 S CA 1.529 59.751 58.200 0.037 0.000 1.011 559 S CB -0.485 62.612 63.200 -0.171 0.000 0.852 559 S HN 0.508 nan 8.310 nan 0.000 0.457 560 L N -0.031 121.299 121.223 0.178 0.000 2.083 560 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 560 L C 2.204 179.164 176.870 0.150 0.000 1.083 560 L CA 1.305 56.250 54.840 0.175 0.000 0.752 560 L CB -0.453 41.712 42.059 0.177 0.000 0.899 560 L HN 0.275 nan 8.230 nan 0.000 0.433 561 F N 0.346 120.337 119.950 0.069 0.000 2.113 561 F HA -0.212 4.315 4.527 -0.000 0.000 0.297 561 F C 2.172 178.062 175.800 0.150 0.000 1.103 561 F CA 1.503 59.567 58.000 0.108 0.000 1.248 561 F CB -0.074 38.980 39.000 0.091 0.000 0.999 561 F HN -0.135 nan 8.300 nan 0.000 0.475 562 L N 0.328 121.637 121.223 0.144 0.000 2.083 562 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 562 L C 2.505 179.134 176.870 -0.401 0.000 1.083 562 L CA 1.606 56.416 54.840 -0.049 0.000 0.752 562 L CB -0.765 41.284 42.059 -0.017 0.000 0.899 562 L HN 0.117 nan 8.230 nan 0.000 0.433 563 K N 0.155 120.292 120.400 -0.437 0.000 2.211 563 K HA -0.193 4.127 4.320 -0.000 0.000 0.204 563 K C 1.776 178.129 176.600 -0.410 0.000 1.047 563 K CA 1.122 57.076 56.287 -0.555 0.000 0.935 563 K CB 0.128 32.582 32.500 -0.077 0.000 0.728 563 K HN 0.238 nan 8.250 nan 0.000 0.452 564 E N -0.448 119.514 120.200 -0.397 0.000 2.478 564 E HA -0.130 4.220 4.350 -0.000 0.000 0.198 564 E C 0.686 176.758 176.600 -0.881 0.000 1.046 564 E CA 0.774 56.816 56.400 -0.597 0.000 0.870 564 E CB 0.083 29.322 29.700 -0.769 0.000 0.818 564 E HN 0.371 nan 8.360 nan 0.000 0.527 565 F N -0.345 119.356 119.950 -0.414 0.000 2.653 565 F HA 0.128 4.655 4.527 -0.000 0.000 0.304 565 F C 0.427 176.037 175.800 -0.316 0.000 1.092 565 F CA -0.135 57.664 58.000 -0.334 0.000 1.279 565 F CB 0.921 39.728 39.000 -0.321 0.000 1.044 565 F HN -0.313 nan 8.300 nan 0.000 0.564 566 V N -0.006 119.726 119.914 -0.303 0.000 2.407 566 V HA 0.172 4.292 4.120 -0.000 0.000 0.291 566 V C 0.342 176.337 176.094 -0.165 0.000 1.018 566 V CA -0.273 61.888 62.300 -0.231 0.000 0.842 566 V CB 1.478 33.103 31.823 -0.329 0.000 0.996 566 V HN 0.024 nan 8.190 nan 0.000 0.426 567 Q N 2.026 121.762 119.800 -0.107 0.000 2.259 567 Q HA 0.175 4.515 4.340 -0.000 0.000 0.201 567 Q C 1.158 177.133 176.000 -0.041 0.000 0.938 567 Q CA 0.835 56.585 55.803 -0.088 0.000 0.872 567 Q CB 0.219 28.909 28.738 -0.080 0.000 0.971 567 Q HN 0.806 nan 8.270 nan 0.000 0.494 568 N N -0.209 118.482 118.700 -0.016 0.000 2.498 568 N HA 0.111 4.851 4.740 -0.000 0.000 0.272 568 N C -1.447 174.083 175.510 0.033 0.000 1.534 568 N CA 0.207 53.263 53.050 0.009 0.000 0.873 568 N CB 1.480 39.964 38.487 -0.006 0.000 1.415 568 N HN 0.209 nan 8.380 nan 0.000 0.496 569 T N 0.066 114.659 114.554 0.065 0.000 2.876 569 T HA 0.526 4.876 4.350 -0.000 0.000 0.289 569 T C -0.061 174.754 174.700 0.191 0.000 1.014 569 T CA -0.461 61.700 62.100 0.101 0.000 0.986 569 T CB 2.181 71.106 68.868 0.095 0.000 1.021 569 T HN 0.209 nan 8.240 nan 0.000 0.458 570 A N 2.404 125.350 122.820 0.209 0.000 2.545 570 A HA 0.373 4.692 4.320 -0.000 0.000 0.253 570 A C -0.696 177.119 177.584 0.384 0.000 1.074 570 A CA -0.016 52.197 52.037 0.294 0.000 0.760 570 A CB -0.492 18.723 19.000 0.357 0.000 1.005 570 A HN 0.823 nan 8.150 nan 0.000 0.506 571 W N 2.788 124.166 121.300 0.131 0.000 2.883 571 W HA 0.637 5.297 4.660 -0.000 0.000 0.335 571 W C -0.522 176.054 176.519 0.096 0.000 1.083 571 W CA -0.068 57.347 57.345 0.117 0.000 1.233 571 W CB 1.435 30.959 29.460 0.107 0.000 1.412 571 W HN 0.927 nan 8.180 nan 0.000 0.490 572 A N 3.572 125.932 122.820 -0.766 0.000 2.515 572 A HA 0.690 5.010 4.320 -0.000 0.000 0.296 572 A C -2.211 174.901 177.584 -0.787 0.000 1.094 572 A CA -0.673 50.805 52.037 -0.931 0.000 0.718 572 A CB 1.696 20.401 19.000 -0.491 0.000 1.307 572 A HN 0.924 nan 8.150 nan 0.000 0.408 573 H N 0.216 118.918 119.070 -0.613 0.000 2.840 573 H HA 0.666 5.222 4.556 -0.000 0.000 0.340 573 H C -1.767 173.575 175.328 0.022 0.000 1.004 573 H CA -0.645 55.291 56.048 -0.186 0.000 1.288 573 H CB 0.747 30.478 29.762 -0.052 0.000 1.607 573 H HN 0.478 nan 8.280 nan 0.000 0.522 574 I N 4.539 124.932 120.570 -0.295 0.000 2.354 574 I HA 0.168 4.338 4.170 -0.000 0.000 0.286 574 I C -0.385 175.568 176.117 -0.273 0.000 1.007 574 I CA -0.670 60.499 61.300 -0.218 0.000 1.167 574 I CB 1.256 39.215 38.000 -0.069 0.000 1.320 574 I HN 0.582 nan 8.210 nan 0.000 0.458 575 D N 7.946 128.210 120.400 -0.227 0.000 2.396 575 D HA 0.251 4.891 4.640 -0.000 0.000 0.225 575 D C 0.528 176.809 176.300 -0.032 0.000 1.121 575 D CA -0.342 53.610 54.000 -0.081 0.000 0.853 575 D CB 1.102 41.967 40.800 0.108 0.000 1.043 575 D HN 0.572 nan 8.370 nan 0.000 0.500 576 I N 0.903 121.440 120.570 -0.056 0.000 3.889 576 I HA 0.353 4.523 4.170 -0.000 0.000 0.332 576 I C 1.457 177.541 176.117 -0.054 0.000 1.493 576 I CA -0.603 60.617 61.300 -0.133 0.000 1.158 576 I CB 0.559 38.468 38.000 -0.151 0.000 1.117 576 I HN 0.187 nan 8.210 nan 0.000 0.411 577 A N 1.770 124.608 122.820 0.030 0.000 1.972 577 A HA 0.000 4.320 4.320 -0.000 0.000 0.219 577 A C 2.270 180.012 177.584 0.265 0.000 1.169 577 A CA 1.828 53.954 52.037 0.149 0.000 0.635 577 A CB -1.026 18.078 19.000 0.173 0.000 0.810 577 A HN 0.574 nan 8.150 nan 0.000 0.446 578 G N -0.843 108.049 108.800 0.154 0.000 2.494 578 G HA2 0.091 4.051 3.960 -0.000 0.000 0.216 578 G HA3 0.091 4.051 3.960 -0.000 0.000 0.216 578 G C 1.329 176.331 174.900 0.169 0.000 1.140 578 G CA 1.316 46.520 45.100 0.173 0.000 0.801 578 G HN 0.999 nan 8.290 nan 0.000 0.536 579 V N -2.347 117.570 119.914 0.006 0.000 3.660 579 V HA 0.257 4.377 4.120 -0.000 0.000 0.276 579 V C 2.294 178.380 176.094 -0.014 0.000 1.317 579 V CA 1.317 63.556 62.300 -0.102 0.000 1.097 579 V CB 0.389 31.882 31.823 -0.550 0.000 0.863 579 V HN 0.226 nan 8.190 nan 0.000 0.438 580 S N -0.326 115.441 115.700 0.112 0.000 2.371 580 S HA -0.083 4.387 4.470 -0.000 0.000 0.224 580 S C 0.654 175.424 174.600 0.283 0.000 1.029 580 S CA 0.443 58.767 58.200 0.206 0.000 0.978 580 S CB -0.203 63.115 63.200 0.197 0.000 0.833 580 S HN 0.803 nan 8.310 nan 0.000 0.466 581 W N 3.191 124.517 121.300 0.042 0.000 2.361 581 W HA 0.405 5.065 4.660 -0.000 0.000 0.309 581 W C -0.504 175.777 176.519 -0.397 0.000 1.122 581 W CA -0.896 56.288 57.345 -0.267 0.000 1.208 581 W CB 0.651 29.688 29.460 -0.705 0.000 1.246 581 W HN 0.162 nan 8.180 nan 0.000 0.490 582 N N 5.483 123.791 118.700 -0.653 0.000 2.448 582 N HA 0.015 4.755 4.740 -0.000 0.000 0.250 582 N C 0.567 175.833 175.510 -0.407 0.000 1.136 582 N CA 0.083 52.906 53.050 -0.379 0.000 0.953 582 N CB -0.127 38.203 38.487 -0.262 0.000 1.251 582 N HN 0.298 nan 8.380 nan 0.000 0.502 583 F N 1.691 121.690 119.950 0.082 0.000 2.234 583 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 583 F C 2.291 178.146 175.800 0.093 0.000 1.087 583 F CA 0.709 58.829 58.000 0.201 0.000 1.340 583 F CB 0.049 39.153 39.000 0.174 0.000 1.031 583 F HN 0.321 nan 8.300 nan 0.000 0.500 584 K N -0.089 120.434 120.400 0.205 0.000 2.025 584 K HA 0.051 4.371 4.320 -0.000 0.000 0.207 584 K C 2.223 178.861 176.600 0.063 0.000 1.049 584 K CA 0.969 57.329 56.287 0.122 0.000 0.933 584 K CB -1.101 31.456 32.500 0.094 0.000 0.714 584 K HN 0.338 nan 8.250 nan 0.000 0.438 585 A N -0.127 122.693 122.820 -0.000 0.000 2.218 585 A HA 0.187 4.506 4.320 -0.000 0.000 0.209 585 A C 0.599 178.134 177.584 -0.082 0.000 1.168 585 A CA 0.420 52.434 52.037 -0.038 0.000 0.804 585 A CB -0.252 18.716 19.000 -0.053 0.000 0.834 585 A HN 0.518 nan 8.150 nan 0.000 0.482 586 R N -0.917 119.524 120.500 -0.097 0.000 3.336 586 R HA -0.184 4.156 4.340 -0.000 0.000 0.260 586 R C -0.345 175.783 176.300 -0.285 0.000 1.032 586 R CA 1.397 57.497 56.100 0.000 0.000 0.693 586 R CB -2.259 28.130 30.300 0.147 0.000 1.134 586 R HN 0.846 nan 8.270 nan 0.000 0.433 587 K N -2.673 117.133 120.400 -0.990 0.000 2.607 587 K HA 0.597 4.917 4.320 -0.000 0.000 0.287 587 K C -3.284 172.437 176.600 -1.465 0.000 0.996 587 K CA -2.377 53.251 56.287 -1.098 0.000 0.876 587 K CB 2.403 34.659 32.500 -0.406 0.000 1.496 587 K HN -0.262 nan 8.250 nan 0.000 0.415 588 P HA 0.164 nan 4.420 nan 0.000 0.274 588 P C -0.430 176.800 177.300 -0.117 0.000 1.237 588 P CA -0.531 62.342 63.100 -0.379 0.000 0.793 588 P CB 0.630 32.309 31.700 -0.034 0.000 0.977 589 K N 0.977 121.363 120.400 -0.023 0.000 2.314 589 K HA 0.112 4.432 4.320 -0.000 0.000 0.198 589 K C 1.203 177.754 176.600 -0.081 0.000 1.045 589 K CA 0.699 56.993 56.287 0.012 0.000 0.988 589 K CB -0.429 32.130 32.500 0.098 0.000 0.783 589 K HN 0.806 nan 8.250 nan 0.000 0.484 590 G N 2.430 111.235 108.800 0.008 0.000 2.249 590 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.273 590 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.273 590 G C -0.073 174.816 174.900 -0.019 0.000 1.036 590 G CA -0.126 44.951 45.100 -0.039 0.000 0.824 590 G HN 0.345 nan 8.290 nan 0.000 0.504 591 F N 0.490 120.398 119.950 -0.070 0.000 2.608 591 F HA 0.366 4.893 4.527 -0.000 0.000 0.380 591 F C 1.638 177.411 175.800 -0.044 0.000 1.083 591 F CA 2.004 59.975 58.000 -0.047 0.000 1.266 591 F CB 0.600 39.598 39.000 -0.004 0.000 1.076 591 F HN 0.912 nan 8.300 nan 0.000 0.574 592 G N 3.066 111.626 108.800 -0.400 0.000 2.284 592 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.216 592 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.216 592 G C 0.829 175.630 174.900 -0.166 0.000 1.009 592 G CA 0.026 45.018 45.100 -0.180 0.000 0.625 592 G HN 0.656 nan 8.290 nan 0.000 0.501 593 V N 1.338 121.156 119.914 -0.160 0.000 2.287 593 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 593 V C 2.868 178.813 176.094 -0.248 0.000 1.053 593 V CA 2.979 65.191 62.300 -0.146 0.000 1.027 593 V CB -0.525 31.218 31.823 -0.133 0.000 0.646 593 V HN 0.533 nan 8.190 nan 0.000 0.447 594 R N -0.740 119.563 120.500 -0.328 0.000 2.119 594 R HA -0.016 4.324 4.340 -0.000 0.000 0.222 594 R C 2.175 178.318 176.300 -0.263 0.000 1.088 594 R CA 0.976 56.810 56.100 -0.443 0.000 0.984 594 R CB -0.440 29.686 30.300 -0.290 0.000 0.884 594 R HN 0.412 nan 8.270 nan 0.000 0.447 595 L N 1.226 122.309 121.223 -0.232 0.000 1.989 595 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 595 L C 1.886 178.723 176.870 -0.054 0.000 1.071 595 L CA 1.766 56.516 54.840 -0.151 0.000 0.749 595 L CB -0.367 41.562 42.059 -0.216 0.000 0.890 595 L HN 0.115 nan 8.230 nan 0.000 0.431 596 L N -1.110 120.082 121.223 -0.052 0.000 2.083 596 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 596 L C 2.333 179.268 176.870 0.108 0.000 1.083 596 L CA 1.653 56.528 54.840 0.059 0.000 0.752 596 L CB -1.104 40.994 42.059 0.065 0.000 0.899 596 L HN 0.336 nan 8.230 nan 0.000 0.433 597 T N -1.241 113.302 114.554 -0.019 0.000 2.770 597 T HA -0.122 4.228 4.350 -0.000 0.000 0.263 597 T C 1.788 176.524 174.700 0.061 0.000 1.039 597 T CA 0.862 62.952 62.100 -0.017 0.000 1.142 597 T CB -0.098 68.638 68.868 -0.220 0.000 0.868 597 T HN 0.250 nan 8.240 nan 0.000 0.435 598 E N 0.749 120.989 120.200 0.066 0.000 2.118 598 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 598 E C 1.858 178.521 176.600 0.105 0.000 0.992 598 E CA 0.865 57.339 56.400 0.123 0.000 0.804 598 E CB -0.410 29.359 29.700 0.114 0.000 0.741 598 E HN 0.525 nan 8.360 nan 0.000 0.458 599 F N 1.312 121.243 119.950 -0.032 0.000 2.102 599 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 599 F C 2.240 178.025 175.800 -0.025 0.000 1.105 599 F CA 1.035 59.005 58.000 -0.051 0.000 1.239 599 F CB -0.430 38.525 39.000 -0.075 0.000 0.991 599 F HN -0.215 nan 8.300 nan 0.000 0.474 600 V N 0.279 120.130 119.914 -0.104 0.000 2.261 600 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 600 V C 2.442 178.452 176.094 -0.139 0.000 1.047 600 V CA 1.717 63.912 62.300 -0.175 0.000 1.015 600 V CB -0.801 31.021 31.823 -0.002 0.000 0.642 600 V HN 0.298 nan 8.190 nan 0.000 0.446 601 L N 1.056 122.250 121.223 -0.048 0.000 2.083 601 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 601 L C 2.637 179.481 176.870 -0.044 0.000 1.083 601 L CA 2.373 57.201 54.840 -0.020 0.000 0.752 601 L CB -1.827 40.260 42.059 0.048 0.000 0.899 601 L HN 0.576 nan 8.230 nan 0.000 0.433 602 N N -1.219 117.443 118.700 -0.063 0.000 2.120 602 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 602 N C 1.267 176.712 175.510 -0.109 0.000 1.024 602 N CA 1.492 54.500 53.050 -0.069 0.000 0.852 602 N CB -0.437 38.016 38.487 -0.056 0.000 1.003 602 N HN 0.401 nan 8.380 nan 0.000 0.424 603 D N 0.000 120.278 120.400 -0.204 0.000 6.856 603 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 603 D CA 0.000 53.874 54.000 -0.209 0.000 0.868 603 D CB 0.000 40.537 40.800 -0.439 0.000 0.688 603 D HN 0.000 nan 8.370 nan 0.000 0.683