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 1q32_1_D DATA FIRST_RESID 79 DATA SEQUENCE GAVFKLMKSD FYEXXXXXXX XXXMITLKDI FGTETLKRSI LFSFQYELDF DATA SEQUENCE LLRQFHQNVE NITIVGQKGT IMPIEARAMD ATLAVILKKV KLIEITMPPF DATA SEQUENCE ASHHTKLIIN FYDNGECKIF LPSNNFTSME TNLPQQVCWC SPLLKIGKEG DATA SEQUENCE LPVPFKRSLI EYLNSYHLKD IDELITKSVE EVNFAPLSEL EFVYSTPSKF DATA SEQUENCE QSSGLLSFYN KLEKLSXXXX XSDTAKHYLC QTSSIGTSLS RARDENLWTH DATA SEQUENCE LMIPLFTGIM SPXXXXXXXX XXXXILPTNS LINEYSQRKI KPYIIFPTEQ DATA SEQUENCE EFVTSPLKWS SSGWFHFQYL QKKSYYEMLR NKFKVFYKQD PAMVTRRRGT DATA SEQUENCE TPAHSKFYMH CATXXXXXXX XXQVFKELEW CLYTSANLSQ TAWGTVSRKP DATA SEQUENCE RNYEAGVLYH SRRLXXTRKV TCRTFTRDXX XXXXXPTHVA VPFTLPVIPY DATA SEQUENCE DLAEDECFCL 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 79 G HA2 0.000 nan 3.960 nan 0.000 0.244 79 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 79 G C 0.000 174.811 174.900 -0.149 0.000 0.946 79 G CA 0.000 45.044 45.100 -0.094 0.000 0.502 80 A N -1.090 121.658 122.820 -0.121 0.000 2.462 80 A HA 0.672 4.992 4.320 0.000 0.000 0.243 80 A C 0.151 177.650 177.584 -0.143 0.000 1.076 80 A CA 0.240 52.122 52.037 -0.258 0.000 0.773 80 A CB 0.978 19.960 19.000 -0.030 0.000 1.010 80 A HN 2.110 nan 8.150 nan 0.000 0.493 81 V N 2.822 122.535 119.914 -0.335 0.000 3.012 81 V HA 0.678 4.798 4.120 0.000 0.000 0.307 81 V C -1.619 174.384 176.094 -0.152 0.000 1.166 81 V CA -0.807 61.429 62.300 -0.106 0.000 0.974 81 V CB 1.806 33.588 31.823 -0.069 0.000 1.040 81 V HN 0.752 nan 8.190 nan 0.000 0.428 82 F N 4.729 124.705 119.950 0.043 0.000 2.404 82 F HA 0.687 5.214 4.527 -0.000 0.000 0.339 82 F C 0.541 176.513 175.800 0.288 0.000 1.105 82 F CA -0.139 57.953 58.000 0.153 0.000 1.087 82 F CB 1.581 40.662 39.000 0.135 0.000 1.143 82 F HN 0.321 nan 8.300 nan 0.000 0.491 83 K N 2.606 123.255 120.400 0.415 0.000 2.435 83 K HA 0.558 4.878 4.320 0.000 0.000 0.251 83 K C -1.701 174.865 176.600 -0.057 0.000 0.954 83 K CA -1.206 55.223 56.287 0.237 0.000 0.820 83 K CB 2.690 35.244 32.500 0.089 0.000 1.292 83 K HN 0.355 nan 8.250 nan 0.000 0.436 84 L N 2.780 123.660 121.223 -0.571 0.000 2.276 84 L HA 0.322 4.662 4.340 0.000 0.000 0.286 84 L C -0.481 176.243 176.870 -0.243 0.000 1.061 84 L CA -0.134 54.300 54.840 -0.678 0.000 0.807 84 L CB 0.929 42.299 42.059 -1.148 0.000 1.177 84 L HN 0.583 nan 8.230 nan 0.000 0.429 85 M N 4.742 124.281 119.600 -0.101 0.000 2.246 85 M HA 0.078 4.558 4.480 0.000 0.000 0.350 85 M C 0.172 176.473 176.300 0.001 0.000 1.406 85 M CA 0.350 55.642 55.300 -0.013 0.000 1.089 85 M CB 0.229 32.857 32.600 0.046 0.000 1.782 85 M HN 0.585 nan 8.290 nan 0.000 0.457 86 K N 1.879 122.283 120.400 0.007 0.000 2.295 86 K HA 0.183 4.503 4.320 0.000 0.000 0.270 86 K C -0.362 176.270 176.600 0.054 0.000 1.011 86 K CA -0.059 56.244 56.287 0.027 0.000 0.953 86 K CB 0.738 33.244 32.500 0.010 0.000 0.956 86 K HN 0.660 nan 8.250 nan 0.000 0.477 87 S N 2.162 117.901 115.700 0.064 0.000 2.500 87 S HA 0.180 4.650 4.470 0.000 0.000 0.301 87 S C 0.018 174.585 174.600 -0.054 0.000 1.092 87 S CA -0.830 57.375 58.200 0.008 0.000 1.030 87 S CB 1.348 64.507 63.200 -0.068 0.000 1.031 87 S HN 0.684 nan 8.310 nan 0.000 0.483 88 D N 2.901 123.240 120.400 -0.103 0.000 2.265 88 D HA -0.029 4.611 4.640 0.000 0.000 0.208 88 D C 0.928 176.994 176.300 -0.389 0.000 0.977 88 D CA 1.379 55.229 54.000 -0.249 0.000 0.871 88 D CB -0.069 40.514 40.800 -0.361 0.000 0.925 88 D HN 0.612 nan 8.370 nan 0.000 0.485 89 F N -1.088 118.693 119.950 -0.281 0.000 2.274 89 F HA 0.072 4.599 4.527 0.000 0.000 0.288 89 F C 2.152 177.857 175.800 -0.159 0.000 1.069 89 F CA 0.349 58.176 58.000 -0.289 0.000 1.343 89 F CB -0.715 37.999 39.000 -0.476 0.000 1.089 89 F HN -0.015 nan 8.300 nan 0.000 0.517 90 Y N -0.028 120.392 120.300 0.201 0.000 2.314 90 Y HA -0.013 4.537 4.550 -0.000 0.000 0.293 90 Y C 0.853 176.784 175.900 0.052 0.000 1.129 90 Y CA -0.061 58.099 58.100 0.101 0.000 1.201 90 Y CB -0.185 38.318 38.460 0.071 0.000 0.999 90 Y HN -0.026 nan 8.280 nan 0.000 0.541 103 I N 0.445 120.991 120.570 -0.041 0.000 3.006 103 I HA 0.799 4.969 4.170 0.000 0.000 0.306 103 I C -1.220 174.879 176.117 -0.031 0.000 1.250 103 I CA -0.136 61.145 61.300 -0.031 0.000 0.996 103 I CB 2.653 40.643 38.000 -0.017 0.000 1.261 103 I HN 0.882 nan 8.210 nan 0.000 0.442 104 T N 2.513 117.038 114.554 -0.049 0.000 2.901 104 T HA 0.444 4.794 4.350 0.000 0.000 0.293 104 T C 0.750 175.392 174.700 -0.096 0.000 1.084 104 T CA -0.827 61.251 62.100 -0.037 0.000 1.008 104 T CB 1.557 70.410 68.868 -0.025 0.000 1.170 104 T HN 0.536 nan 8.240 nan 0.000 0.509 105 L N 0.525 121.713 121.223 -0.058 0.000 2.275 105 L HA 0.049 4.389 4.340 0.000 0.000 0.215 105 L C 2.827 179.582 176.870 -0.191 0.000 1.119 105 L CA 1.152 55.914 54.840 -0.129 0.000 0.790 105 L CB -0.397 41.703 42.059 0.070 0.000 0.919 105 L HN 0.805 nan 8.230 nan 0.000 0.443 106 K N 0.217 120.547 120.400 -0.116 0.000 2.097 106 K HA -0.176 4.144 4.320 0.000 0.000 0.205 106 K C 1.504 178.024 176.600 -0.132 0.000 1.050 106 K CA 1.389 57.612 56.287 -0.106 0.000 0.938 106 K CB 0.102 32.567 32.500 -0.059 0.000 0.718 106 K HN 0.211 nan 8.250 nan 0.000 0.442 107 D N 0.869 121.184 120.400 -0.142 0.000 2.144 107 D HA -0.147 4.493 4.640 0.000 0.000 0.199 107 D C 1.880 178.053 176.300 -0.212 0.000 0.984 107 D CA 1.123 55.044 54.000 -0.132 0.000 0.834 107 D CB -0.027 40.709 40.800 -0.106 0.000 0.955 107 D HN 0.324 nan 8.370 nan 0.000 0.465 108 I N -0.814 119.504 120.570 -0.421 0.000 2.277 108 I HA -0.155 4.015 4.170 0.000 0.000 0.243 108 I C 1.644 177.352 176.117 -0.683 0.000 1.094 108 I CA 0.878 61.728 61.300 -0.749 0.000 1.393 108 I CB -0.082 37.117 38.000 -1.335 0.000 1.078 108 I HN -0.098 nan 8.210 nan 0.000 0.417 109 F N -0.341 119.349 119.950 -0.433 0.000 2.731 109 F HA 0.247 4.774 4.527 0.000 0.000 0.298 109 F C 2.316 177.875 175.800 -0.401 0.000 1.106 109 F CA 0.129 57.739 58.000 -0.649 0.000 1.329 109 F CB -0.160 37.966 39.000 -1.457 0.000 1.100 109 F HN -0.055 nan 8.300 nan 0.000 0.592 110 G N -0.479 108.276 108.800 -0.074 0.000 2.511 110 G HA2 -0.140 3.820 3.960 0.000 0.000 0.217 110 G HA3 -0.140 3.820 3.960 0.000 0.000 0.217 110 G C 0.913 175.876 174.900 0.106 0.000 1.133 110 G CA 0.434 45.555 45.100 0.035 0.000 0.792 110 G HN 0.188 nan 8.290 nan 0.000 0.539 111 T N 1.270 115.861 114.554 0.062 0.000 2.871 111 T HA 0.052 4.402 4.350 0.000 0.000 0.296 111 T C 1.746 176.437 174.700 -0.014 0.000 0.998 111 T CA 0.699 62.828 62.100 0.048 0.000 1.162 111 T CB 0.583 69.509 68.868 0.097 0.000 0.947 111 T HN 0.630 nan 8.240 nan 0.000 0.536 112 E N 2.670 122.743 120.200 -0.211 0.000 2.333 112 E HA -0.125 4.225 4.350 0.000 0.000 0.198 112 E C 1.636 178.142 176.600 -0.157 0.000 1.007 112 E CA 1.358 57.461 56.400 -0.494 0.000 0.845 112 E CB -0.399 28.911 29.700 -0.650 0.000 0.766 112 E HN 0.794 nan 8.360 nan 0.000 0.507 113 T N -0.760 113.794 114.554 -0.001 0.000 3.113 113 T HA 0.036 4.386 4.350 0.000 0.000 0.256 113 T C 0.709 175.560 174.700 0.251 0.000 1.131 113 T CA -0.371 61.795 62.100 0.111 0.000 1.074 113 T CB -0.145 68.795 68.868 0.119 0.000 0.944 113 T HN 0.080 nan 8.240 nan 0.000 0.516 114 L N 1.958 123.315 121.223 0.223 0.000 2.462 114 L HA 0.371 4.711 4.340 0.000 0.000 0.272 114 L C 1.131 178.020 176.870 0.032 0.000 1.166 114 L CA 0.243 55.118 54.840 0.057 0.000 0.880 114 L CB 0.722 42.818 42.059 0.060 0.000 1.142 114 L HN 0.104 nan 8.230 nan 0.000 0.473 115 K N 4.002 124.389 120.400 -0.021 0.000 2.262 115 K HA 0.214 4.534 4.320 0.000 0.000 0.200 115 K C 0.330 176.952 176.600 0.036 0.000 1.058 115 K CA 0.037 56.343 56.287 0.032 0.000 0.974 115 K CB 0.432 32.966 32.500 0.057 0.000 0.910 115 K HN 0.685 nan 8.250 nan 0.000 0.484 116 R N 0.101 120.635 120.500 0.057 0.000 2.604 116 R HA 0.282 4.622 4.340 0.000 0.000 0.270 116 R C -1.800 174.617 176.300 0.193 0.000 1.052 116 R CA -0.457 55.704 56.100 0.102 0.000 0.902 116 R CB 2.217 32.558 30.300 0.069 0.000 1.233 116 R HN -0.042 nan 8.270 nan 0.000 0.455 117 S N 3.918 119.735 115.700 0.194 0.000 2.532 117 S HA 0.550 5.020 4.470 0.000 0.000 0.299 117 S C -0.617 174.115 174.600 0.220 0.000 1.105 117 S CA -0.621 57.745 58.200 0.276 0.000 1.018 117 S CB 1.178 64.623 63.200 0.408 0.000 1.021 117 S HN 0.427 nan 8.310 nan 0.000 0.483 118 I N 4.168 124.920 120.570 0.303 0.000 2.362 118 I HA 0.420 4.590 4.170 0.000 0.000 0.289 118 I C -0.818 175.504 176.117 0.341 0.000 0.994 118 I CA -0.513 60.937 61.300 0.250 0.000 1.158 118 I CB 1.002 39.209 38.000 0.344 0.000 1.315 118 I HN 0.316 nan 8.210 nan 0.000 0.451 119 L N 6.067 127.409 121.223 0.198 0.000 2.334 119 L HA 0.631 4.971 4.340 0.000 0.000 0.273 119 L C -1.171 175.877 176.870 0.297 0.000 1.013 119 L CA -0.688 54.395 54.840 0.405 0.000 0.816 119 L CB 1.683 43.969 42.059 0.379 0.000 1.278 119 L HN 0.355 nan 8.230 nan 0.000 0.431 120 F N 0.528 120.822 119.950 0.573 0.000 2.561 120 F HA 0.690 5.217 4.527 -0.000 0.000 0.313 120 F C 0.149 176.245 175.800 0.494 0.000 1.126 120 F CA -0.441 57.906 58.000 0.579 0.000 0.918 120 F CB 2.256 41.554 39.000 0.496 0.000 1.199 120 F HN 0.430 nan 8.300 nan 0.000 0.444 121 S N 1.590 117.660 115.700 0.616 0.000 2.636 121 S HA 0.414 4.884 4.470 0.000 0.000 0.266 121 S C -0.709 174.117 174.600 0.377 0.000 1.147 121 S CA -0.380 57.930 58.200 0.183 0.000 0.815 121 S CB 0.783 63.746 63.200 -0.396 0.000 1.119 121 S HN 0.489 nan 8.310 nan 0.000 0.470 122 F N 1.750 121.724 119.950 0.040 0.000 2.656 122 F HA 0.527 5.054 4.527 -0.000 0.000 0.291 122 F C 0.444 176.335 175.800 0.152 0.000 1.122 122 F CA 0.612 58.713 58.000 0.169 0.000 1.427 122 F CB 0.310 39.394 39.000 0.139 0.000 1.125 122 F HN 0.590 nan 8.300 nan 0.000 0.583 123 Q N -0.079 119.696 119.800 -0.042 0.000 2.309 123 Q HA 0.284 4.624 4.340 0.000 0.000 0.273 123 Q C -2.008 173.980 176.000 -0.021 0.000 1.040 123 Q CA -0.665 55.107 55.803 -0.052 0.000 0.834 123 Q CB 2.502 31.200 28.738 -0.067 0.000 1.345 123 Q HN 0.081 nan 8.270 nan 0.000 0.414 124 Y N 0.523 120.916 120.300 0.155 0.000 2.338 124 Y HA 0.232 4.782 4.550 -0.000 0.000 0.333 124 Y C -0.187 175.815 175.900 0.171 0.000 0.968 124 Y CA -0.653 57.580 58.100 0.223 0.000 1.123 124 Y CB 1.936 40.498 38.460 0.170 0.000 1.165 124 Y HN 0.573 nan 8.280 nan 0.000 0.452 125 E N 4.908 125.329 120.200 0.368 0.000 2.079 125 E HA 0.225 4.575 4.350 0.000 0.000 0.252 125 E C 0.384 177.161 176.600 0.295 0.000 0.992 125 E CA -0.022 56.549 56.400 0.285 0.000 0.829 125 E CB 0.377 30.238 29.700 0.270 0.000 1.158 125 E HN 0.897 nan 8.360 nan 0.000 0.435 126 L N 2.951 124.292 121.223 0.197 0.000 2.021 126 L HA -0.292 4.048 4.340 0.000 0.000 0.215 126 L C 1.994 178.916 176.870 0.087 0.000 1.074 126 L CA 1.922 56.828 54.840 0.110 0.000 0.760 126 L CB -0.451 41.627 42.059 0.032 0.000 0.889 126 L HN 0.621 nan 8.230 nan 0.000 0.433 127 D N -0.763 119.702 120.400 0.108 0.000 2.178 127 D HA -0.262 4.378 4.640 0.000 0.000 0.202 127 D C 2.032 178.411 176.300 0.132 0.000 0.974 127 D CA 0.988 55.041 54.000 0.090 0.000 0.841 127 D CB -0.695 40.156 40.800 0.085 0.000 0.953 127 D HN 0.348 nan 8.370 nan 0.000 0.478 128 F N 1.127 121.118 119.950 0.068 0.000 2.113 128 F HA -0.024 4.503 4.527 0.000 0.000 0.297 128 F C 2.054 177.911 175.800 0.094 0.000 1.103 128 F CA 0.728 58.777 58.000 0.083 0.000 1.248 128 F CB -0.462 38.600 39.000 0.104 0.000 0.999 128 F HN -0.006 nan 8.300 nan 0.000 0.475 129 L N 0.785 121.970 121.223 -0.063 0.000 1.976 129 L HA -0.149 4.191 4.340 0.000 0.000 0.209 129 L C 2.128 178.937 176.870 -0.101 0.000 1.071 129 L CA 1.903 56.638 54.840 -0.175 0.000 0.746 129 L CB -1.130 40.931 42.059 0.004 0.000 0.890 129 L HN 0.258 nan 8.230 nan 0.000 0.432 130 L N -0.674 120.523 121.223 -0.043 0.000 2.261 130 L HA -0.182 4.158 4.340 0.000 0.000 0.216 130 L C 2.550 179.449 176.870 0.048 0.000 1.114 130 L CA 0.955 55.783 54.840 -0.021 0.000 0.777 130 L CB -0.575 41.415 42.059 -0.114 0.000 0.910 130 L HN 0.302 nan 8.230 nan 0.000 0.440 131 R N -0.406 120.079 120.500 -0.025 0.000 2.280 131 R HA -0.084 4.256 4.340 0.000 0.000 0.207 131 R C 1.952 178.227 176.300 -0.041 0.000 1.043 131 R CA 0.427 56.508 56.100 -0.031 0.000 1.006 131 R CB 0.019 30.292 30.300 -0.045 0.000 0.885 131 R HN 0.407 nan 8.270 nan 0.000 0.467 132 Q N -0.411 119.350 119.800 -0.066 0.000 2.389 132 Q HA 0.051 4.391 4.340 0.000 0.000 0.204 132 Q C 0.158 176.098 176.000 -0.100 0.000 0.944 132 Q CA 0.717 56.448 55.803 -0.120 0.000 0.908 132 Q CB 0.162 28.785 28.738 -0.191 0.000 1.002 132 Q HN 0.153 nan 8.270 nan 0.000 0.493 133 F N 0.269 120.181 119.950 -0.064 0.000 2.375 133 F HA 0.198 4.725 4.527 0.000 0.000 0.313 133 F C 1.094 176.914 175.800 0.032 0.000 1.176 133 F CA -0.539 57.460 58.000 -0.001 0.000 1.142 133 F CB 0.417 39.369 39.000 -0.080 0.000 1.275 133 F HN -0.018 nan 8.300 nan 0.000 0.544 134 H N 1.379 120.568 119.070 0.199 0.000 2.479 134 H HA 0.132 4.688 4.556 0.000 0.000 0.335 134 H C 0.663 176.048 175.328 0.095 0.000 1.142 134 H CA -0.416 55.697 56.048 0.108 0.000 1.234 134 H CB 1.751 31.563 29.762 0.084 0.000 1.503 134 H HN 0.794 nan 8.280 nan 0.000 0.510 135 Q N 2.778 122.593 119.800 0.024 0.000 2.248 135 Q HA -0.224 4.116 4.340 0.000 0.000 0.208 135 Q C 0.455 176.584 176.000 0.214 0.000 0.984 135 Q CA 2.074 57.933 55.803 0.093 0.000 0.875 135 Q CB -0.091 28.640 28.738 -0.010 0.000 0.910 135 Q HN 0.482 nan 8.270 nan 0.000 0.433 136 N N 0.718 119.673 118.700 0.425 0.000 2.381 136 N HA -0.025 4.715 4.740 0.000 0.000 0.182 136 N C 0.385 175.963 175.510 0.113 0.000 1.025 136 N CA 0.628 53.790 53.050 0.188 0.000 0.888 136 N CB 0.012 38.531 38.487 0.053 0.000 0.965 136 N HN 0.184 nan 8.380 nan 0.000 0.438 137 V N 0.983 120.981 119.914 0.141 0.000 2.928 137 V HA -0.124 3.996 4.120 0.000 0.000 0.307 137 V C 0.873 176.977 176.094 0.017 0.000 1.105 137 V CA 0.787 63.142 62.300 0.090 0.000 1.223 137 V CB 0.838 32.730 31.823 0.115 0.000 0.930 137 V HN 0.304 nan 8.190 nan 0.000 0.499 138 E N 3.337 123.533 120.200 -0.006 0.000 2.290 138 E HA 0.213 4.563 4.350 0.000 0.000 0.199 138 E C 0.182 176.741 176.600 -0.069 0.000 0.912 138 E CA 0.248 56.629 56.400 -0.033 0.000 0.924 138 E CB 0.487 30.173 29.700 -0.023 0.000 0.901 138 E HN 0.806 nan 8.360 nan 0.000 0.487 139 N N -0.050 118.603 118.700 -0.078 0.000 2.331 139 N HA 0.373 5.113 4.740 0.000 0.000 0.280 139 N C -1.905 173.524 175.510 -0.134 0.000 1.155 139 N CA -0.458 52.526 53.050 -0.109 0.000 0.822 139 N CB 1.628 40.060 38.487 -0.092 0.000 1.619 139 N HN -0.144 nan 8.380 nan 0.000 0.476 140 I N 2.043 122.498 120.570 -0.192 0.000 2.503 140 I HA 0.234 4.404 4.170 0.000 0.000 0.282 140 I C -0.781 175.217 176.117 -0.198 0.000 1.059 140 I CA -0.526 60.634 61.300 -0.233 0.000 1.081 140 I CB 2.026 39.751 38.000 -0.459 0.000 1.210 140 I HN 0.430 nan 8.210 nan 0.000 0.450 141 T N 6.987 121.459 114.554 -0.136 0.000 2.744 141 T HA 0.566 4.916 4.350 0.000 0.000 0.291 141 T C -0.020 174.564 174.700 -0.194 0.000 0.957 141 T CA -0.147 61.858 62.100 -0.159 0.000 1.002 141 T CB 0.838 69.632 68.868 -0.122 0.000 0.919 141 T HN 0.269 nan 8.240 nan 0.000 0.468 142 I N 3.567 123.980 120.570 -0.262 0.000 2.362 142 I HA 0.385 4.555 4.170 0.000 0.000 0.289 142 I C -0.426 175.475 176.117 -0.360 0.000 0.994 142 I CA -0.965 60.139 61.300 -0.326 0.000 1.158 142 I CB 1.706 39.403 38.000 -0.506 0.000 1.315 142 I HN 0.255 nan 8.210 nan 0.000 0.451 143 V N 5.646 125.344 119.914 -0.361 0.000 2.370 143 V HA 0.813 4.933 4.120 0.000 0.000 0.283 143 V C 0.385 176.375 176.094 -0.174 0.000 1.023 143 V CA -0.278 61.782 62.300 -0.399 0.000 0.857 143 V CB 1.234 32.603 31.823 -0.756 0.000 0.985 143 V HN 0.944 nan 8.190 nan 0.000 0.443 144 G N 3.205 111.873 108.800 -0.221 0.000 2.698 144 G HA2 0.483 4.443 3.960 0.000 0.000 0.293 144 G HA3 0.483 4.443 3.960 0.000 0.000 0.293 144 G C -1.392 173.450 174.900 -0.098 0.000 1.437 144 G CA -0.658 44.415 45.100 -0.044 0.000 0.852 144 G HN 0.559 nan 8.290 nan 0.000 0.499 145 Q N 0.583 120.409 119.800 0.043 0.000 2.337 145 Q HA 0.157 4.497 4.340 0.000 0.000 0.270 145 Q C 0.488 176.535 176.000 0.077 0.000 1.002 145 Q CA -0.180 55.688 55.803 0.109 0.000 0.888 145 Q CB 0.586 29.493 28.738 0.282 0.000 1.222 145 Q HN 0.491 nan 8.270 nan 0.000 0.400 146 K N 2.550 122.986 120.400 0.060 0.000 2.466 146 K HA -0.042 4.278 4.320 0.000 0.000 0.278 146 K C 0.452 177.082 176.600 0.050 0.000 1.048 146 K CA 1.213 57.525 56.287 0.040 0.000 1.088 146 K CB -0.331 32.195 32.500 0.044 0.000 0.884 146 K HN 0.910 nan 8.250 nan 0.000 0.478 147 G N 2.572 111.391 108.800 0.032 0.000 2.176 147 G HA2 -0.260 3.700 3.960 0.000 0.000 0.232 147 G HA3 -0.260 3.700 3.960 0.000 0.000 0.232 147 G C 0.463 175.378 174.900 0.025 0.000 0.986 147 G CA 0.465 45.583 45.100 0.030 0.000 0.643 147 G HN 0.755 nan 8.290 nan 0.000 0.522 148 T N -1.519 113.057 114.554 0.037 0.000 3.085 148 T HA 0.597 4.947 4.350 0.000 0.000 0.264 148 T C 0.711 175.484 174.700 0.121 0.000 1.019 148 T CA 0.005 62.124 62.100 0.031 0.000 0.910 148 T CB 0.178 69.036 68.868 -0.017 0.000 1.059 148 T HN 0.431 nan 8.240 nan 0.000 0.542 149 I N 3.111 123.735 120.570 0.088 0.000 2.337 149 I HA 0.362 4.532 4.170 0.000 0.000 0.285 149 I C 0.205 176.352 176.117 0.050 0.000 1.041 149 I CA -0.777 60.571 61.300 0.079 0.000 1.199 149 I CB 1.347 39.308 38.000 -0.065 0.000 1.370 149 I HN 0.207 nan 8.210 nan 0.000 0.470 150 M N 9.264 128.918 119.600 0.090 0.000 2.156 150 M HA 0.401 4.881 4.480 0.000 0.000 0.345 150 M C -2.595 173.733 176.300 0.045 0.000 1.398 150 M CA -1.206 54.133 55.300 0.065 0.000 1.148 150 M CB 0.474 33.125 32.600 0.085 0.000 1.663 150 M HN 0.165 nan 8.290 nan 0.000 0.464 151 P HA 0.304 nan 4.420 nan 0.000 0.274 151 P C -0.860 176.447 177.300 0.012 0.000 1.260 151 P CA -0.257 62.843 63.100 -0.000 0.000 0.793 151 P CB 0.595 32.288 31.700 -0.012 0.000 1.048 152 I N 0.521 121.091 120.570 0.000 0.000 2.377 152 I HA 0.234 4.404 4.170 0.000 0.000 0.293 152 I C 0.683 176.801 176.117 0.002 0.000 0.987 152 I CA -0.796 60.508 61.300 0.007 0.000 1.185 152 I CB 1.011 39.010 38.000 -0.001 0.000 1.341 152 I HN 0.167 nan 8.210 nan 0.000 0.455 153 E N 3.609 123.814 120.200 0.009 0.000 2.349 153 E HA 0.250 4.600 4.350 0.000 0.000 0.265 153 E C 0.826 177.427 176.600 0.002 0.000 1.064 153 E CA -0.210 56.193 56.400 0.005 0.000 0.886 153 E CB 1.421 31.127 29.700 0.010 0.000 1.036 153 E HN 0.728 nan 8.360 nan 0.000 0.413 154 A N 3.550 126.369 122.820 -0.001 0.000 1.903 154 A HA -0.304 4.016 4.320 0.000 0.000 0.219 154 A C 1.897 179.481 177.584 0.000 0.000 1.191 154 A CA 2.438 54.473 52.037 -0.003 0.000 0.638 154 A CB -0.624 18.374 19.000 -0.004 0.000 0.823 154 A HN 0.716 nan 8.150 nan 0.000 0.451 155 R N -0.687 119.815 120.500 0.004 0.000 2.211 155 R HA 0.026 4.366 4.340 0.000 0.000 0.240 155 R C 1.603 177.909 176.300 0.009 0.000 1.144 155 R CA 1.524 57.628 56.100 0.006 0.000 0.992 155 R CB -0.470 29.835 30.300 0.009 0.000 0.869 155 R HN 0.402 nan 8.270 nan 0.000 0.462 156 A N 0.305 123.131 122.820 0.010 0.000 2.343 156 A HA 0.286 4.606 4.320 0.000 0.000 0.223 156 A C 0.531 178.120 177.584 0.009 0.000 1.214 156 A CA -0.504 51.541 52.037 0.015 0.000 0.900 156 A CB 0.265 19.280 19.000 0.024 0.000 0.942 156 A HN 0.248 nan 8.150 nan 0.000 0.507 157 M N 2.383 121.984 119.600 0.001 0.000 2.185 157 M HA 0.349 4.829 4.480 0.000 0.000 0.357 157 M C -0.604 175.691 176.300 -0.008 0.000 1.260 157 M CA -0.537 54.759 55.300 -0.006 0.000 1.124 157 M CB 0.390 32.983 32.600 -0.012 0.000 1.600 157 M HN 0.468 nan 8.290 nan 0.000 0.467 158 D N 3.253 123.646 120.400 -0.012 0.000 2.553 158 D HA 0.581 5.221 4.640 0.000 0.000 0.249 158 D C 0.402 176.690 176.300 -0.019 0.000 1.062 158 D CA -0.322 53.670 54.000 -0.013 0.000 1.085 158 D CB 0.363 41.157 40.800 -0.011 0.000 1.350 158 D HN 0.519 nan 8.370 nan 0.000 0.575 159 A N -0.167 122.641 122.820 -0.019 0.000 1.940 159 A HA -0.140 4.180 4.320 0.000 0.000 0.219 159 A C 1.956 179.523 177.584 -0.029 0.000 1.176 159 A CA 2.403 54.427 52.037 -0.023 0.000 0.631 159 A CB -1.338 17.649 19.000 -0.020 0.000 0.814 159 A HN 0.648 nan 8.150 nan 0.000 0.446 160 T N 0.665 115.202 114.554 -0.029 0.000 2.588 160 T HA -0.118 4.232 4.350 0.000 0.000 0.261 160 T C 1.843 176.517 174.700 -0.042 0.000 1.069 160 T CA 1.540 63.618 62.100 -0.036 0.000 1.172 160 T CB -0.569 68.277 68.868 -0.036 0.000 0.863 160 T HN 0.376 nan 8.240 nan 0.000 0.408 161 L N 1.048 122.248 121.223 -0.039 0.000 2.089 161 L HA -0.228 4.112 4.340 0.000 0.000 0.213 161 L C 3.047 179.883 176.870 -0.057 0.000 1.079 161 L CA 1.367 56.178 54.840 -0.047 0.000 0.758 161 L CB -0.887 41.152 42.059 -0.034 0.000 0.891 161 L HN 0.284 nan 8.230 nan 0.000 0.433 162 A N -0.215 122.577 122.820 -0.046 0.000 1.917 162 A HA -0.173 4.147 4.320 0.000 0.000 0.219 162 A C 2.338 179.887 177.584 -0.057 0.000 1.182 162 A CA 2.192 54.200 52.037 -0.048 0.000 0.633 162 A CB -0.825 18.153 19.000 -0.037 0.000 0.819 162 A HN 0.213 nan 8.150 nan 0.000 0.448 163 V N -0.154 119.727 119.914 -0.056 0.000 2.239 163 V HA -0.216 3.904 4.120 0.000 0.000 0.242 163 V C 2.374 178.420 176.094 -0.081 0.000 1.038 163 V CA 1.752 64.017 62.300 -0.059 0.000 1.002 163 V CB -0.687 31.108 31.823 -0.047 0.000 0.641 163 V HN 0.663 nan 8.190 nan 0.000 0.449 164 I N -0.423 120.092 120.570 -0.092 0.000 2.530 164 I HA -0.260 3.910 4.170 0.000 0.000 0.257 164 I C 2.136 178.145 176.117 -0.180 0.000 1.179 164 I CA 1.455 62.672 61.300 -0.139 0.000 1.440 164 I CB 0.025 37.935 38.000 -0.149 0.000 1.087 164 I HN 0.303 nan 8.210 nan 0.000 0.440 165 L N 0.575 121.713 121.223 -0.143 0.000 2.313 165 L HA -0.154 4.186 4.340 0.000 0.000 0.214 165 L C 2.212 179.002 176.870 -0.134 0.000 1.119 165 L CA 0.973 55.725 54.840 -0.146 0.000 0.809 165 L CB -0.225 41.768 42.059 -0.109 0.000 0.933 165 L HN 0.124 nan 8.230 nan 0.000 0.449 166 K N 0.540 120.873 120.400 -0.112 0.000 2.366 166 K HA -0.099 4.221 4.320 0.000 0.000 0.198 166 K C 1.514 178.047 176.600 -0.111 0.000 1.044 166 K CA 1.129 57.357 56.287 -0.098 0.000 0.973 166 K CB 0.086 32.540 32.500 -0.076 0.000 0.767 166 K HN 0.206 nan 8.250 nan 0.000 0.475 167 K N -0.248 120.070 120.400 -0.137 0.000 2.404 167 K HA 0.136 4.456 4.320 0.000 0.000 0.194 167 K C -0.474 176.017 176.600 -0.182 0.000 1.023 167 K CA -0.099 56.100 56.287 -0.148 0.000 1.094 167 K CB 0.753 33.158 32.500 -0.157 0.000 0.841 167 K HN -0.131 nan 8.250 nan 0.000 0.523 168 V N 2.287 122.086 119.914 -0.193 0.000 2.498 168 V HA 0.156 4.276 4.120 0.000 0.000 0.279 168 V C 0.107 176.094 176.094 -0.178 0.000 1.048 168 V CA -0.594 61.577 62.300 -0.215 0.000 0.967 168 V CB 1.198 32.881 31.823 -0.234 0.000 0.988 168 V HN 0.025 nan 8.190 nan 0.000 0.473 169 K N 4.591 124.882 120.400 -0.183 0.000 2.413 169 K HA 0.502 4.823 4.320 0.000 0.000 0.257 169 K C -1.475 175.013 176.600 -0.188 0.000 0.946 169 K CA -0.749 55.441 56.287 -0.161 0.000 0.823 169 K CB 1.741 34.157 32.500 -0.140 0.000 1.109 169 K HN 0.533 nan 8.250 nan 0.000 0.427 170 L N 5.673 126.790 121.223 -0.177 0.000 2.309 170 L HA 0.556 4.896 4.340 0.000 0.000 0.282 170 L C -0.874 175.892 176.870 -0.175 0.000 1.036 170 L CA -0.242 54.478 54.840 -0.200 0.000 0.806 170 L CB 0.932 42.877 42.059 -0.189 0.000 1.220 170 L HN 0.579 nan 8.230 nan 0.000 0.429 171 I N 4.894 125.343 120.570 -0.203 0.000 2.464 171 I HA 0.320 4.490 4.170 0.000 0.000 0.277 171 I C -0.329 175.686 176.117 -0.170 0.000 1.040 171 I CA -0.405 60.789 61.300 -0.177 0.000 1.153 171 I CB 1.106 38.979 38.000 -0.213 0.000 1.274 171 I HN 0.618 nan 8.210 nan 0.000 0.469 172 E N 5.538 125.667 120.200 -0.117 0.000 2.283 172 E HA 0.442 4.792 4.350 0.000 0.000 0.278 172 E C -0.913 175.660 176.600 -0.046 0.000 1.027 172 E CA -0.703 55.645 56.400 -0.087 0.000 0.843 172 E CB 2.074 31.739 29.700 -0.058 0.000 1.062 172 E HN 0.316 nan 8.360 nan 0.000 0.401 173 I N 2.188 122.736 120.570 -0.036 0.000 2.378 173 I HA 0.144 4.314 4.170 0.000 0.000 0.291 173 I C 0.152 176.314 176.117 0.076 0.000 0.992 173 I CA -0.176 61.142 61.300 0.030 0.000 1.154 173 I CB 1.947 39.956 38.000 0.014 0.000 1.315 173 I HN 0.305 nan 8.210 nan 0.000 0.448 174 T N 7.541 122.154 114.554 0.099 0.000 2.829 174 T HA 0.735 5.085 4.350 0.000 0.000 0.282 174 T C -0.133 174.654 174.700 0.145 0.000 0.990 174 T CA -0.404 61.760 62.100 0.107 0.000 1.028 174 T CB 0.632 69.549 68.868 0.082 0.000 0.951 174 T HN 0.380 nan 8.240 nan 0.000 0.460 175 M N 2.557 122.248 119.600 0.152 0.000 2.631 175 M HA 0.447 4.927 4.480 0.000 0.000 0.288 175 M C -2.369 174.012 176.300 0.135 0.000 1.260 175 M CA -2.119 53.280 55.300 0.165 0.000 0.842 175 M CB 1.753 34.483 32.600 0.217 0.000 1.743 175 M HN 0.335 nan 8.290 nan 0.000 0.461 176 P HA 0.241 nan 4.420 nan 0.000 0.271 176 P C -2.605 174.773 177.300 0.129 0.000 1.238 176 P CA -0.579 62.586 63.100 0.109 0.000 0.794 176 P CB -0.428 31.330 31.700 0.096 0.000 0.959 177 P HA 0.124 nan 4.420 nan 0.000 0.275 177 P C -0.292 177.165 177.300 0.262 0.000 1.227 177 P CA 0.053 63.255 63.100 0.169 0.000 0.781 177 P CB 0.027 31.807 31.700 0.133 0.000 0.906 178 F N 0.549 120.539 119.950 0.068 0.000 3.057 178 F HA -0.274 4.253 4.527 0.000 0.000 0.287 178 F C -0.664 175.165 175.800 0.048 0.000 0.834 178 F CA 0.783 58.815 58.000 0.054 0.000 1.147 178 F CB -1.555 37.463 39.000 0.030 0.000 1.245 178 F HN 0.393 nan 8.300 nan 0.000 0.509 179 A N 0.769 123.591 122.820 0.003 0.000 2.355 179 A HA 0.877 5.197 4.320 0.000 0.000 0.317 179 A C -0.207 177.392 177.584 0.024 0.000 1.094 179 A CA 0.234 52.247 52.037 -0.040 0.000 0.764 179 A CB 1.585 20.616 19.000 0.051 0.000 1.230 179 A HN 0.433 nan 8.150 nan 0.000 0.448 180 S N 0.783 116.466 115.700 -0.028 0.000 2.548 180 S HA 0.391 4.861 4.470 0.000 0.000 0.286 180 S C -0.726 173.995 174.600 0.202 0.000 1.098 180 S CA -0.531 57.712 58.200 0.071 0.000 0.930 180 S CB 1.136 64.138 63.200 -0.331 0.000 1.070 180 S HN 0.748 nan 8.310 nan 0.000 0.480 181 H N 2.566 121.831 119.070 0.326 0.000 2.882 181 H HA 0.177 4.733 4.556 -0.000 0.000 0.258 181 H C 0.566 176.092 175.328 0.332 0.000 1.579 181 H CA 0.170 56.452 56.048 0.390 0.000 1.340 181 H CB -0.258 29.718 29.762 0.357 0.000 1.645 181 H HN 0.838 nan 8.280 nan 0.000 0.541 182 H N 3.089 122.073 119.070 -0.142 0.000 2.551 182 H HA 0.021 4.577 4.556 0.000 0.000 0.266 182 H C -0.073 175.171 175.328 -0.141 0.000 0.964 182 H CA 0.162 56.050 56.048 -0.267 0.000 1.180 182 H CB 0.738 30.262 29.762 -0.398 0.000 1.408 182 H HN 0.425 nan 8.280 nan 0.000 0.563 183 T N 2.371 116.818 114.554 -0.178 0.000 2.905 183 T HA -0.011 4.339 4.350 0.000 0.000 0.299 183 T C -0.051 174.637 174.700 -0.020 0.000 1.024 183 T CA 0.481 62.497 62.100 -0.141 0.000 1.151 183 T CB 0.385 69.221 68.868 -0.054 0.000 0.987 183 T HN 0.216 nan 8.240 nan 0.000 0.535 184 K N 2.846 123.215 120.400 -0.051 0.000 2.394 184 K HA 0.691 5.011 4.320 0.000 0.000 0.260 184 K C -1.072 175.622 176.600 0.156 0.000 0.967 184 K CA -0.616 55.690 56.287 0.032 0.000 0.855 184 K CB 1.500 33.940 32.500 -0.099 0.000 1.101 184 K HN 0.308 nan 8.250 nan 0.000 0.433 185 L N 3.412 124.850 121.223 0.358 0.000 2.505 185 L HA 0.619 4.959 4.340 0.000 0.000 0.259 185 L C -1.939 175.301 176.870 0.616 0.000 0.952 185 L CA -0.516 54.560 54.840 0.393 0.000 0.840 185 L CB 1.630 43.765 42.059 0.127 0.000 1.358 185 L HN 0.657 nan 8.230 nan 0.000 0.409 186 I N 5.410 126.322 120.570 0.570 0.000 2.499 186 I HA 0.485 4.655 4.170 0.000 0.000 0.288 186 I C -0.991 175.434 176.117 0.512 0.000 1.048 186 I CA -0.424 61.234 61.300 0.597 0.000 1.062 186 I CB 2.042 40.371 38.000 0.549 0.000 1.238 186 I HN 0.444 nan 8.210 nan 0.000 0.426 187 I N 5.705 126.541 120.570 0.444 0.000 2.420 187 I HA 0.330 4.500 4.170 0.000 0.000 0.282 187 I C -0.708 175.506 176.117 0.162 0.000 1.019 187 I CA -0.521 60.937 61.300 0.264 0.000 1.130 187 I CB 1.116 39.294 38.000 0.296 0.000 1.262 187 I HN 0.482 nan 8.210 nan 0.000 0.454 188 N N 5.683 124.409 118.700 0.044 0.000 2.443 188 N HA 0.546 5.286 4.740 0.000 0.000 0.295 188 N C -1.160 174.097 175.510 -0.422 0.000 1.076 188 N CA -0.193 52.803 53.050 -0.089 0.000 0.919 188 N CB 1.564 40.012 38.487 -0.064 0.000 1.176 188 N HN 0.246 nan 8.380 nan 0.000 0.487 189 F N 1.868 121.681 119.950 -0.228 0.000 2.477 189 F HA 0.407 4.934 4.527 -0.000 0.000 0.335 189 F C -0.154 175.476 175.800 -0.283 0.000 1.130 189 F CA -0.675 57.247 58.000 -0.129 0.000 0.948 189 F CB 0.822 39.807 39.000 -0.026 0.000 1.154 189 F HN 0.358 nan 8.300 nan 0.000 0.439 190 Y N 0.910 121.315 120.300 0.176 0.000 2.654 190 Y HA 0.286 4.836 4.550 0.000 0.000 0.328 190 Y C 1.295 177.254 175.900 0.097 0.000 1.174 190 Y CA -0.979 57.189 58.100 0.112 0.000 1.293 190 Y CB 0.330 38.822 38.460 0.053 0.000 1.464 190 Y HN 0.443 nan 8.280 nan 0.000 0.559 191 D N 0.077 120.621 120.400 0.240 0.000 2.327 191 D HA -0.219 4.421 4.640 0.000 0.000 0.205 191 D C 0.312 176.678 176.300 0.111 0.000 1.036 191 D CA 1.605 55.685 54.000 0.134 0.000 0.897 191 D CB -0.561 40.296 40.800 0.095 0.000 1.117 191 D HN 0.498 nan 8.370 nan 0.000 0.471 192 N N 0.942 119.696 118.700 0.090 0.000 3.105 192 N HA 0.132 4.872 4.740 0.000 0.000 0.309 192 N C 0.862 176.418 175.510 0.077 0.000 1.291 192 N CA 0.765 53.854 53.050 0.064 0.000 1.153 192 N CB 0.107 38.615 38.487 0.035 0.000 1.447 192 N HN 0.379 nan 8.380 nan 0.000 0.555 193 G N 0.575 109.441 108.800 0.110 0.000 2.187 193 G HA2 -0.308 3.652 3.960 0.000 0.000 0.261 193 G HA3 -0.308 3.652 3.960 0.000 0.000 0.261 193 G C 0.010 174.989 174.900 0.132 0.000 1.000 193 G CA 0.173 45.349 45.100 0.127 0.000 0.718 193 G HN 0.502 nan 8.290 nan 0.000 0.519 194 E N -0.955 119.334 120.200 0.148 0.000 2.349 194 E HA 0.558 4.908 4.350 0.000 0.000 0.265 194 E C 0.078 176.794 176.600 0.192 0.000 1.064 194 E CA -0.059 56.410 56.400 0.115 0.000 0.886 194 E CB 1.708 31.438 29.700 0.049 0.000 1.036 194 E HN 0.436 nan 8.360 nan 0.000 0.413 195 C N 2.341 121.668 119.300 0.045 0.000 2.985 195 C HA 0.605 5.065 4.460 0.000 0.000 0.314 195 C C -1.462 173.461 174.990 -0.111 0.000 1.215 195 C CA -0.531 58.432 59.018 -0.092 0.000 1.414 195 C CB 0.874 28.396 27.740 -0.363 0.000 1.842 195 C HN 0.872 nan 8.230 nan 0.000 0.477 196 K N 4.303 124.675 120.400 -0.046 0.000 2.502 196 K HA 0.807 5.127 4.320 0.000 0.000 0.257 196 K C -1.620 174.871 176.600 -0.182 0.000 0.938 196 K CA -0.527 55.656 56.287 -0.173 0.000 0.819 196 K CB 1.490 33.942 32.500 -0.079 0.000 1.333 196 K HN 0.763 nan 8.250 nan 0.000 0.434 197 I N 3.576 123.913 120.570 -0.387 0.000 2.569 197 I HA 0.486 4.656 4.170 0.000 0.000 0.296 197 I C -1.112 174.841 176.117 -0.273 0.000 1.028 197 I CA -0.883 60.364 61.300 -0.089 0.000 1.082 197 I CB 1.292 39.363 38.000 0.118 0.000 1.264 197 I HN 0.447 nan 8.210 nan 0.000 0.429 198 F N 5.254 125.344 119.950 0.233 0.000 2.576 198 F HA 0.590 5.117 4.527 -0.000 0.000 0.313 198 F C -0.484 175.558 175.800 0.404 0.000 1.078 198 F CA -0.735 57.422 58.000 0.262 0.000 0.921 198 F CB 1.687 40.759 39.000 0.121 0.000 1.232 198 F HN 0.110 nan 8.300 nan 0.000 0.459 199 L N 4.633 126.259 121.223 0.672 0.000 2.433 199 L HA 0.391 4.731 4.340 0.000 0.000 0.256 199 L C -2.604 174.562 176.870 0.494 0.000 1.063 199 L CA -1.695 53.460 54.840 0.524 0.000 0.922 199 L CB 1.428 43.799 42.059 0.520 0.000 1.238 199 L HN 0.265 nan 8.230 nan 0.000 0.466 200 P HA 0.163 nan 4.420 nan 0.000 0.281 200 P C 0.352 177.767 177.300 0.192 0.000 1.249 200 P CA -0.460 62.796 63.100 0.259 0.000 0.810 200 P CB 1.855 33.650 31.700 0.158 0.000 1.008 201 S N 0.467 116.310 115.700 0.239 0.000 2.501 201 S HA -0.008 4.462 4.470 0.000 0.000 0.220 201 S C 0.836 175.530 174.600 0.157 0.000 0.997 201 S CA -0.267 58.043 58.200 0.183 0.000 0.919 201 S CB -0.745 62.632 63.200 0.295 0.000 0.778 201 S HN 0.582 nan 8.310 nan 0.000 0.523 202 N N 2.285 121.021 118.700 0.060 0.000 2.509 202 N HA 0.247 4.987 4.740 0.000 0.000 0.287 202 N C -0.958 174.418 175.510 -0.223 0.000 1.121 202 N CA -0.561 52.449 53.050 -0.067 0.000 0.977 202 N CB 0.351 38.794 38.487 -0.074 0.000 1.167 202 N HN 0.015 nan 8.380 nan 0.000 0.476 203 N N 0.282 118.845 118.700 -0.227 0.000 2.381 203 N HA 0.188 4.928 4.740 0.000 0.000 0.254 203 N C -0.333 174.996 175.510 -0.303 0.000 1.264 203 N CA -0.037 52.818 53.050 -0.325 0.000 0.942 203 N CB 0.279 38.707 38.487 -0.099 0.000 1.190 203 N HN 0.445 nan 8.380 nan 0.000 0.495 204 F N 0.277 120.232 119.950 0.008 0.000 2.659 204 F HA 0.141 4.668 4.527 0.000 0.000 0.360 204 F C 1.118 177.075 175.800 0.262 0.000 1.218 204 F CA -0.417 57.684 58.000 0.168 0.000 1.317 204 F CB -0.945 38.132 39.000 0.128 0.000 1.697 204 F HN 0.167 nan 8.300 nan 0.000 0.637 205 T N -4.193 110.502 114.554 0.234 0.000 2.906 205 T HA 0.292 4.642 4.350 0.000 0.000 0.295 205 T C 0.959 175.332 174.700 -0.544 0.000 1.061 205 T CA -0.502 61.585 62.100 -0.021 0.000 1.000 205 T CB 1.850 70.722 68.868 0.008 0.000 1.103 205 T HN 0.022 nan 8.240 nan 0.000 0.486 206 S N 0.894 115.968 115.700 -1.045 0.000 2.368 206 S HA -0.113 4.357 4.470 0.000 0.000 0.225 206 S C 2.041 176.394 174.600 -0.412 0.000 1.030 206 S CA 1.142 58.650 58.200 -1.153 0.000 0.999 206 S CB -0.629 62.090 63.200 -0.801 0.000 0.844 206 S HN 0.668 nan 8.310 nan 0.000 0.459 207 M N 1.188 120.669 119.600 -0.199 0.000 2.065 207 M HA -0.083 4.397 4.480 0.000 0.000 0.259 207 M C 2.162 178.316 176.300 -0.243 0.000 1.069 207 M CA 1.608 56.889 55.300 -0.032 0.000 1.110 207 M CB -1.449 31.288 32.600 0.229 0.000 1.328 207 M HN 0.449 nan 8.290 nan 0.000 0.405 208 E N -0.493 119.486 120.200 -0.367 0.000 2.106 208 E HA -0.129 4.221 4.350 0.000 0.000 0.192 208 E C 1.921 178.274 176.600 -0.412 0.000 0.984 208 E CA 1.573 57.553 56.400 -0.700 0.000 0.806 208 E CB -0.053 29.306 29.700 -0.568 0.000 0.750 208 E HN 0.501 nan 8.360 nan 0.000 0.458 209 T N 1.147 115.571 114.554 -0.216 0.000 2.867 209 T HA -0.057 4.293 4.350 0.000 0.000 0.268 209 T C 1.419 176.100 174.700 -0.032 0.000 1.057 209 T CA 0.897 62.964 62.100 -0.055 0.000 1.136 209 T CB -0.018 68.912 68.868 0.104 0.000 0.874 209 T HN 0.122 nan 8.240 nan 0.000 0.466 210 N N 0.093 118.757 118.700 -0.061 0.000 2.250 210 N HA 0.265 5.005 4.740 0.000 0.000 0.190 210 N C 1.467 176.941 175.510 -0.060 0.000 1.116 210 N CA 0.130 53.182 53.050 0.003 0.000 0.881 210 N CB 0.526 39.094 38.487 0.134 0.000 1.006 210 N HN 0.327 nan 8.380 nan 0.000 0.491 211 L N 0.899 122.062 121.223 -0.100 0.000 2.194 211 L HA 0.204 4.544 4.340 0.000 0.000 0.197 211 L C -1.562 175.399 176.870 0.151 0.000 1.106 211 L CA 0.347 55.166 54.840 -0.036 0.000 0.785 211 L CB -1.535 40.531 42.059 0.011 0.000 0.960 211 L HN -0.108 nan 8.230 nan 0.000 0.465 212 P HA 0.085 nan 4.420 nan 0.000 0.274 212 P C -0.990 176.426 177.300 0.193 0.000 1.246 212 P CA -0.190 63.027 63.100 0.194 0.000 0.795 212 P CB 0.366 32.163 31.700 0.161 0.000 1.006 213 Q N 1.024 120.954 119.800 0.217 0.000 2.314 213 Q HA 0.197 4.537 4.340 0.000 0.000 0.258 213 Q C -0.096 176.023 176.000 0.199 0.000 0.954 213 Q CA 0.046 55.957 55.803 0.180 0.000 0.890 213 Q CB 0.544 29.351 28.738 0.115 0.000 1.210 213 Q HN 0.385 nan 8.270 nan 0.000 0.410 214 Q N 0.964 120.858 119.800 0.157 0.000 2.423 214 Q HA 0.628 4.968 4.340 0.000 0.000 0.278 214 Q C -0.653 175.440 176.000 0.155 0.000 1.097 214 Q CA -0.667 55.242 55.803 0.177 0.000 0.809 214 Q CB 2.391 31.200 28.738 0.119 0.000 1.391 214 Q HN 0.569 nan 8.270 nan 0.000 0.428 215 V N -2.609 117.446 119.914 0.234 0.000 3.126 215 V HA 0.869 4.989 4.120 0.000 0.000 0.314 215 V C -0.945 175.298 176.094 0.248 0.000 1.138 215 V CA -0.840 61.593 62.300 0.222 0.000 1.034 215 V CB 2.172 34.217 31.823 0.371 0.000 1.075 215 V HN 0.927 nan 8.190 nan 0.000 0.442 216 C N 2.635 122.063 119.300 0.213 0.000 2.607 216 C HA 0.667 5.127 4.460 0.000 0.000 0.350 216 C C -1.137 173.949 174.990 0.161 0.000 1.101 216 C CA -0.578 58.581 59.018 0.236 0.000 1.282 216 C CB 0.509 28.367 27.740 0.196 0.000 1.825 216 C HN 1.154 nan 8.230 nan 0.000 0.460 217 W N 6.623 127.887 121.300 -0.061 0.000 2.316 217 W HA 0.620 5.280 4.660 0.000 0.000 0.311 217 W C -0.576 175.877 176.519 -0.110 0.000 1.217 217 W CA -0.115 57.017 57.345 -0.355 0.000 1.199 217 W CB 0.802 30.032 29.460 -0.384 0.000 1.202 217 W HN 0.825 nan 8.180 nan 0.000 0.528 218 C N 6.135 124.882 119.300 -0.921 0.000 2.319 218 C HA 0.544 5.004 4.460 0.000 0.000 0.323 218 C C 0.757 174.816 174.990 -1.553 0.000 1.277 218 C CA -0.825 57.586 59.018 -1.011 0.000 1.517 218 C CB -0.063 27.360 27.740 -0.527 0.000 2.206 218 C HN 0.704 nan 8.230 nan 0.000 0.486 219 S N 4.425 119.185 115.700 -1.568 0.000 2.608 219 S HA 0.568 5.038 4.470 0.000 0.000 0.261 219 S C -2.293 171.877 174.600 -0.717 0.000 1.314 219 S CA -0.540 56.937 58.200 -1.205 0.000 0.992 219 S CB 0.324 63.097 63.200 -0.713 0.000 0.935 219 S HN 0.670 nan 8.310 nan 0.000 0.564 220 P HA 0.256 nan 4.420 nan 0.000 0.276 220 P C -0.384 176.715 177.300 -0.336 0.000 1.252 220 P CA -0.749 62.148 63.100 -0.339 0.000 0.802 220 P CB 0.380 31.941 31.700 -0.231 0.000 1.035 221 L N 1.189 122.251 121.223 -0.270 0.000 2.483 221 L HA 0.127 4.467 4.340 0.000 0.000 0.276 221 L C -0.305 176.425 176.870 -0.234 0.000 1.213 221 L CA 0.671 55.363 54.840 -0.246 0.000 0.843 221 L CB -0.595 41.344 42.059 -0.200 0.000 1.107 221 L HN 0.225 nan 8.230 nan 0.000 0.487 222 L N 3.446 124.528 121.223 -0.235 0.000 2.309 222 L HA 0.649 4.989 4.340 0.000 0.000 0.261 222 L C -0.857 175.928 176.870 -0.141 0.000 1.021 222 L CA -1.157 53.540 54.840 -0.239 0.000 0.823 222 L CB 1.986 43.802 42.059 -0.406 0.000 1.366 222 L HN 0.513 nan 8.230 nan 0.000 0.423 223 K N 0.935 121.279 120.400 -0.094 0.000 2.464 223 K HA 0.577 4.897 4.320 0.000 0.000 0.253 223 K C -1.138 175.477 176.600 0.025 0.000 0.933 223 K CA -0.379 55.895 56.287 -0.021 0.000 0.801 223 K CB 1.632 34.123 32.500 -0.015 0.000 1.271 223 K HN 0.458 nan 8.250 nan 0.000 0.430 224 I N 2.843 123.457 120.570 0.073 0.000 2.696 224 I HA 0.465 4.635 4.170 0.000 0.000 0.284 224 I C 0.728 176.891 176.117 0.077 0.000 1.129 224 I CA 0.877 62.241 61.300 0.107 0.000 1.410 224 I CB 0.889 38.968 38.000 0.132 0.000 1.399 224 I HN 0.864 nan 8.210 nan 0.000 0.579 225 G N 4.706 113.556 108.800 0.083 0.000 2.336 225 G HA2 0.095 4.055 3.960 0.000 0.000 0.300 225 G HA3 0.095 4.055 3.960 0.000 0.000 0.300 225 G C -1.499 173.442 174.900 0.068 0.000 1.375 225 G CA -1.000 44.139 45.100 0.064 0.000 0.885 225 G HN 0.339 nan 8.290 nan 0.000 0.599 226 K N 0.417 120.849 120.400 0.053 0.000 2.276 226 K HA 0.447 4.767 4.320 0.000 0.000 0.259 226 K C 0.553 177.187 176.600 0.056 0.000 1.001 226 K CA 0.140 56.458 56.287 0.051 0.000 0.927 226 K CB 0.900 33.423 32.500 0.038 0.000 0.969 226 K HN 0.953 nan 8.250 nan 0.000 0.490 227 E N -1.144 119.090 120.200 0.056 0.000 2.429 227 E HA 0.566 4.916 4.350 0.000 0.000 0.276 227 E C 0.055 176.683 176.600 0.047 0.000 0.953 227 E CA -1.120 55.315 56.400 0.059 0.000 0.787 227 E CB 1.155 30.903 29.700 0.079 0.000 1.307 227 E HN 0.369 nan 8.360 nan 0.000 0.458 228 G N 0.832 109.659 108.800 0.045 0.000 2.722 228 G HA2 0.194 4.154 3.960 0.000 0.000 0.201 228 G HA3 0.194 4.154 3.960 0.000 0.000 0.201 228 G C -0.421 174.501 174.900 0.037 0.000 1.926 228 G CA -0.302 44.819 45.100 0.037 0.000 0.872 228 G HN 0.368 nan 8.290 nan 0.000 0.581 229 L N 2.530 123.775 121.223 0.037 0.000 2.290 229 L HA 0.509 4.849 4.340 0.000 0.000 0.284 229 L C -2.192 174.703 176.870 0.041 0.000 1.078 229 L CA -1.873 52.987 54.840 0.034 0.000 0.815 229 L CB 0.911 42.989 42.059 0.032 0.000 1.162 229 L HN 0.054 nan 8.230 nan 0.000 0.435 230 P HA 0.056 nan 4.420 nan 0.000 0.264 230 P C -0.842 176.481 177.300 0.037 0.000 1.193 230 P CA -0.170 62.944 63.100 0.024 0.000 0.763 230 P CB 0.436 32.135 31.700 -0.002 0.000 0.810 231 V N 7.159 127.110 119.914 0.061 0.000 2.811 231 V HA 0.011 4.131 4.120 0.000 0.000 0.302 231 V C -1.128 175.021 176.094 0.092 0.000 1.063 231 V CA -0.928 61.431 62.300 0.098 0.000 1.088 231 V CB 0.605 32.528 31.823 0.167 0.000 0.982 231 V HN 0.566 nan 8.190 nan 0.000 0.485 232 P HA -0.207 nan 4.420 nan 0.000 0.216 232 P C 1.632 179.018 177.300 0.143 0.000 1.157 232 P CA 1.408 64.571 63.100 0.104 0.000 0.880 232 P CB -0.014 31.747 31.700 0.101 0.000 0.791 233 F N 0.927 120.914 119.950 0.060 0.000 2.091 233 F HA -0.218 4.309 4.527 0.000 0.000 0.299 233 F C 2.275 178.017 175.800 -0.098 0.000 1.103 233 F CA 1.776 59.828 58.000 0.087 0.000 1.228 233 F CB -0.484 38.620 39.000 0.174 0.000 0.984 233 F HN -0.227 nan 8.300 nan 0.000 0.477 234 K N 0.100 120.525 120.400 0.042 0.000 2.057 234 K HA -0.216 4.104 4.320 0.000 0.000 0.206 234 K C 2.508 178.923 176.600 -0.309 0.000 1.050 234 K CA 1.334 57.295 56.287 -0.542 0.000 0.935 234 K CB -0.319 31.694 32.500 -0.812 0.000 0.715 234 K HN 0.208 nan 8.250 nan 0.000 0.439 235 R N 0.244 120.667 120.500 -0.128 0.000 2.091 235 R HA -0.110 4.230 4.340 0.000 0.000 0.238 235 R C 2.093 178.381 176.300 -0.020 0.000 1.136 235 R CA 2.056 58.122 56.100 -0.057 0.000 0.959 235 R CB -0.201 30.101 30.300 0.002 0.000 0.856 235 R HN 0.140 nan 8.270 nan 0.000 0.437 236 S N 1.043 116.756 115.700 0.021 0.000 2.368 236 S HA -0.128 4.342 4.470 0.000 0.000 0.224 236 S C 1.713 176.344 174.600 0.052 0.000 1.029 236 S CA 1.003 59.304 58.200 0.170 0.000 0.988 236 S CB -0.293 63.074 63.200 0.280 0.000 0.838 236 S HN 0.294 nan 8.310 nan 0.000 0.462 237 L N 2.104 123.146 121.223 -0.303 0.000 2.042 237 L HA -0.000 4.340 4.340 0.000 0.000 0.210 237 L C 1.840 178.561 176.870 -0.248 0.000 1.076 237 L CA 1.599 56.060 54.840 -0.632 0.000 0.749 237 L CB -0.598 40.985 42.059 -0.793 0.000 0.893 237 L HN 0.292 nan 8.230 nan 0.000 0.432 238 I N -0.641 119.823 120.570 -0.177 0.000 2.315 238 I HA -0.254 3.916 4.170 0.000 0.000 0.248 238 I C 2.318 178.405 176.117 -0.049 0.000 1.117 238 I CA 1.229 62.474 61.300 -0.093 0.000 1.404 238 I CB -0.350 37.600 38.000 -0.083 0.000 1.071 238 I HN 0.365 nan 8.210 nan 0.000 0.419 239 E N 0.174 120.359 120.200 -0.024 0.000 2.077 239 E HA -0.274 4.076 4.350 0.000 0.000 0.193 239 E C 2.074 178.621 176.600 -0.088 0.000 0.989 239 E CA 1.435 57.844 56.400 0.015 0.000 0.800 239 E CB -0.319 29.471 29.700 0.151 0.000 0.746 239 E HN 0.480 nan 8.360 nan 0.000 0.452 240 Y N 1.804 121.850 120.300 -0.423 0.000 2.097 240 Y HA -0.233 4.317 4.550 0.000 0.000 0.282 240 Y C 1.972 177.845 175.900 -0.045 0.000 1.152 240 Y CA 1.506 59.275 58.100 -0.551 0.000 1.136 240 Y CB -0.335 37.760 38.460 -0.609 0.000 0.975 240 Y HN -0.071 nan 8.280 nan 0.000 0.498 241 L N 0.220 121.392 121.223 -0.084 0.000 2.046 241 L HA -0.280 4.060 4.340 0.000 0.000 0.208 241 L C 2.127 178.983 176.870 -0.023 0.000 1.077 241 L CA 2.004 56.816 54.840 -0.046 0.000 0.747 241 L CB -0.767 41.290 42.059 -0.004 0.000 0.896 241 L HN 0.338 nan 8.230 nan 0.000 0.432 242 N N -0.419 118.247 118.700 -0.057 0.000 2.223 242 N HA -0.177 4.563 4.740 0.000 0.000 0.185 242 N C 1.838 177.208 175.510 -0.233 0.000 1.016 242 N CA 1.250 54.253 53.050 -0.078 0.000 0.863 242 N CB -0.068 38.397 38.487 -0.037 0.000 0.983 242 N HN 0.337 nan 8.380 nan 0.000 0.429 243 S N -0.331 115.221 115.700 -0.247 0.000 2.595 243 S HA -0.085 4.385 4.470 0.000 0.000 0.235 243 S C 1.293 175.601 174.600 -0.486 0.000 0.974 243 S CA 0.465 58.401 58.200 -0.439 0.000 0.942 243 S CB -0.399 62.699 63.200 -0.171 0.000 0.766 243 S HN 0.339 nan 8.310 nan 0.000 0.536 244 Y N 1.232 121.323 120.300 -0.348 0.000 2.475 244 Y HA 0.124 4.674 4.550 0.000 0.000 0.289 244 Y C 0.914 176.782 175.900 -0.053 0.000 1.121 244 Y CA 0.703 58.748 58.100 -0.092 0.000 1.257 244 Y CB -0.248 38.156 38.460 -0.093 0.000 1.026 244 Y HN 0.402 nan 8.280 nan 0.000 0.555 245 H N -0.838 118.326 119.070 0.155 0.000 2.770 245 H HA -0.158 4.398 4.556 0.000 0.000 0.309 245 H C -0.743 174.618 175.328 0.056 0.000 1.206 245 H CA 0.727 56.806 56.048 0.053 0.000 1.147 245 H CB -2.097 27.667 29.762 0.003 0.000 1.422 245 H HN 0.265 nan 8.280 nan 0.000 0.420 246 L N 0.470 121.769 121.223 0.126 0.000 2.356 246 L HA 0.223 4.563 4.340 0.000 0.000 0.277 246 L C 1.663 178.545 176.870 0.021 0.000 0.996 246 L CA -0.484 54.398 54.840 0.070 0.000 0.822 246 L CB 2.165 44.257 42.059 0.054 0.000 1.256 246 L HN 0.018 nan 8.230 nan 0.000 0.413 247 K N 1.419 121.826 120.400 0.012 0.000 2.063 247 K HA -0.197 4.123 4.320 0.000 0.000 0.208 247 K C 0.911 177.497 176.600 -0.024 0.000 1.048 247 K CA 1.876 58.160 56.287 -0.005 0.000 0.928 247 K CB 0.256 32.752 32.500 -0.007 0.000 0.713 247 K HN 0.652 nan 8.250 nan 0.000 0.442 248 D N 0.816 121.194 120.400 -0.037 0.000 2.149 248 D HA -0.167 4.473 4.640 0.000 0.000 0.198 248 D C 1.900 178.155 176.300 -0.075 0.000 0.990 248 D CA 0.946 54.910 54.000 -0.060 0.000 0.839 248 D CB -0.036 40.719 40.800 -0.075 0.000 0.948 248 D HN 0.224 nan 8.370 nan 0.000 0.460 249 I N 1.315 121.834 120.570 -0.086 0.000 2.163 249 I HA -0.192 3.978 4.170 0.000 0.000 0.240 249 I C 1.745 177.829 176.117 -0.056 0.000 1.081 249 I CA 1.137 62.372 61.300 -0.109 0.000 1.353 249 I CB -0.953 36.946 38.000 -0.170 0.000 1.054 249 I HN -0.021 nan 8.210 nan 0.000 0.407 250 D N 1.041 121.420 120.400 -0.035 0.000 2.116 250 D HA -0.213 4.427 4.640 0.000 0.000 0.193 250 D C 2.088 178.379 176.300 -0.016 0.000 0.998 250 D CA 1.546 55.536 54.000 -0.017 0.000 0.836 250 D CB -0.140 40.656 40.800 -0.007 0.000 0.951 250 D HN 0.524 nan 8.370 nan 0.000 0.449 251 E N -0.250 119.935 120.200 -0.025 0.000 2.140 251 E HA 0.086 4.436 4.350 0.000 0.000 0.191 251 E C 2.338 178.916 176.600 -0.038 0.000 0.973 251 E CA 0.111 56.495 56.400 -0.028 0.000 0.829 251 E CB 0.151 29.834 29.700 -0.030 0.000 0.781 251 E HN 0.218 nan 8.360 nan 0.000 0.466 252 L N 0.460 121.654 121.223 -0.048 0.000 2.341 252 L HA 0.067 4.407 4.340 0.000 0.000 0.214 252 L C 2.028 178.872 176.870 -0.043 0.000 1.115 252 L CA 0.624 55.428 54.840 -0.061 0.000 0.820 252 L CB 0.025 42.037 42.059 -0.077 0.000 0.944 252 L HN 0.125 nan 8.230 nan 0.000 0.452 253 I N -1.737 118.825 120.570 -0.013 0.000 3.393 253 I HA -0.057 4.113 4.170 0.000 0.000 0.250 253 I C 2.290 178.459 176.117 0.087 0.000 1.122 253 I CA 0.447 61.780 61.300 0.055 0.000 1.484 253 I CB -0.308 37.739 38.000 0.079 0.000 1.468 253 I HN -0.055 nan 8.210 nan 0.000 0.461 254 T N 1.605 116.192 114.554 0.055 0.000 2.699 254 T HA -0.193 4.157 4.350 0.000 0.000 0.268 254 T C 1.825 176.558 174.700 0.055 0.000 1.036 254 T CA 1.505 63.638 62.100 0.054 0.000 1.147 254 T CB -0.264 68.615 68.868 0.019 0.000 0.862 254 T HN 0.216 nan 8.240 nan 0.000 0.446 255 K N 0.917 121.335 120.400 0.030 0.000 2.103 255 K HA -0.044 4.276 4.320 0.000 0.000 0.207 255 K C 2.734 179.357 176.600 0.040 0.000 1.048 255 K CA 1.373 57.675 56.287 0.024 0.000 0.930 255 K CB -0.151 32.348 32.500 -0.002 0.000 0.716 255 K HN 0.214 nan 8.250 nan 0.000 0.444 256 S N 0.604 116.324 115.700 0.033 0.000 2.387 256 S HA -0.071 4.399 4.470 0.000 0.000 0.226 256 S C 2.082 176.830 174.600 0.248 0.000 1.026 256 S CA 0.819 59.032 58.200 0.021 0.000 0.972 256 S CB -0.049 63.041 63.200 -0.183 0.000 0.814 256 S HN 0.031 nan 8.310 nan 0.000 0.477 257 V N 2.271 122.362 119.914 0.295 0.000 2.427 257 V HA -0.116 4.004 4.120 0.000 0.000 0.248 257 V C 2.484 178.750 176.094 0.287 0.000 1.051 257 V CA 1.393 63.914 62.300 0.368 0.000 1.048 257 V CB -0.543 31.439 31.823 0.265 0.000 0.666 257 V HN 0.400 nan 8.190 nan 0.000 0.456 258 E N 0.287 120.583 120.200 0.161 0.000 2.160 258 E HA -0.236 4.114 4.350 0.000 0.000 0.195 258 E C 2.099 178.785 176.600 0.143 0.000 0.991 258 E CA 1.222 57.688 56.400 0.110 0.000 0.810 258 E CB -0.160 29.577 29.700 0.061 0.000 0.742 258 E HN 0.725 nan 8.360 nan 0.000 0.466 259 E N 0.357 120.655 120.200 0.164 0.000 2.418 259 E HA -0.014 4.336 4.350 0.000 0.000 0.197 259 E C 0.366 177.083 176.600 0.195 0.000 1.026 259 E CA 0.015 56.506 56.400 0.151 0.000 0.862 259 E CB 0.404 30.178 29.700 0.123 0.000 0.799 259 E HN -0.045 nan 8.360 nan 0.000 0.518 260 V N 2.415 122.498 119.914 0.281 0.000 2.607 260 V HA 0.048 4.168 4.120 0.000 0.000 0.289 260 V C 0.314 176.597 176.094 0.315 0.000 1.053 260 V CA -0.769 61.692 62.300 0.267 0.000 0.996 260 V CB 1.349 33.327 31.823 0.259 0.000 0.995 260 V HN 0.160 nan 8.190 nan 0.000 0.476 261 N N 2.737 121.539 118.700 0.170 0.000 2.414 261 N HA 0.235 4.975 4.740 0.000 0.000 0.256 261 N C -0.247 175.345 175.510 0.137 0.000 1.029 261 N CA -0.248 52.910 53.050 0.181 0.000 0.948 261 N CB 0.890 39.429 38.487 0.086 0.000 1.102 261 N HN 0.515 nan 8.380 nan 0.000 0.496 262 F N 2.386 122.341 119.950 0.009 0.000 2.692 262 F HA 0.259 4.786 4.527 0.000 0.000 0.303 262 F C 2.022 177.807 175.800 -0.026 0.000 1.114 262 F CA -0.265 57.725 58.000 -0.017 0.000 1.361 262 F CB -0.430 38.580 39.000 0.017 0.000 1.063 262 F HN 0.645 nan 8.300 nan 0.000 0.550 263 A N 1.027 123.913 122.820 0.110 0.000 1.927 263 A HA -0.205 4.115 4.320 0.000 0.000 0.220 263 A C -0.089 177.506 177.584 0.018 0.000 1.185 263 A CA 1.812 53.887 52.037 0.062 0.000 0.639 263 A CB -1.846 17.177 19.000 0.039 0.000 0.820 263 A HN 0.230 nan 8.150 nan 0.000 0.451 264 P HA -0.051 nan 4.420 nan 0.000 0.226 264 P C 0.683 177.943 177.300 -0.066 0.000 1.146 264 P CA 0.805 63.865 63.100 -0.066 0.000 0.773 264 P CB -0.013 31.612 31.700 -0.125 0.000 0.772 265 L N -1.217 119.970 121.223 -0.060 0.000 2.818 265 L HA 0.126 4.466 4.340 0.000 0.000 0.243 265 L C 1.780 178.675 176.870 0.043 0.000 1.185 265 L CA 0.107 54.901 54.840 -0.076 0.000 0.988 265 L CB -0.385 41.508 42.059 -0.276 0.000 1.292 265 L HN 0.011 nan 8.230 nan 0.000 0.519 266 S N -1.104 114.633 115.700 0.062 0.000 2.440 266 S HA -0.199 4.271 4.470 0.000 0.000 0.238 266 S C 1.451 176.102 174.600 0.084 0.000 1.010 266 S CA 1.153 59.404 58.200 0.086 0.000 0.972 266 S CB -0.104 63.136 63.200 0.066 0.000 0.774 266 S HN 0.555 nan 8.310 nan 0.000 0.501 267 E N 0.439 120.681 120.200 0.069 0.000 2.318 267 E HA 0.256 4.606 4.350 0.000 0.000 0.193 267 E C 0.324 176.961 176.600 0.060 0.000 0.998 267 E CA 0.100 56.539 56.400 0.064 0.000 0.859 267 E CB 0.029 29.767 29.700 0.064 0.000 0.812 267 E HN 0.543 nan 8.360 nan 0.000 0.492 268 L N 1.022 122.291 121.223 0.076 0.000 2.400 268 L HA 0.337 4.677 4.340 0.000 0.000 0.264 268 L C 0.401 177.441 176.870 0.282 0.000 1.061 268 L CA -0.732 54.168 54.840 0.099 0.000 0.799 268 L CB 0.806 42.889 42.059 0.041 0.000 1.240 268 L HN -0.074 nan 8.230 nan 0.000 0.461 269 E N 0.532 120.876 120.200 0.239 0.000 2.256 269 E HA 0.333 4.683 4.350 0.000 0.000 0.267 269 E C -1.581 175.026 176.600 0.011 0.000 0.892 269 E CA -0.574 55.924 56.400 0.163 0.000 0.775 269 E CB 2.962 32.717 29.700 0.090 0.000 1.207 269 E HN 0.265 nan 8.360 nan 0.000 0.420 270 F N 2.475 122.183 119.950 -0.404 0.000 2.361 270 F HA 0.297 4.824 4.527 -0.000 0.000 0.364 270 F C -0.883 174.770 175.800 -0.245 0.000 1.117 270 F CA -0.666 56.946 58.000 -0.647 0.000 1.071 270 F CB 0.688 39.032 39.000 -1.094 0.000 1.188 270 F HN 0.065 nan 8.300 nan 0.000 0.464 271 V N 7.993 127.528 119.914 -0.631 0.000 2.435 271 V HA 0.433 4.553 4.120 0.000 0.000 0.290 271 V C -0.746 174.916 176.094 -0.719 0.000 1.030 271 V CA -0.568 61.423 62.300 -0.514 0.000 0.881 271 V CB 0.958 32.565 31.823 -0.359 0.000 0.983 271 V HN 0.713 nan 8.190 nan 0.000 0.445 272 Y N 1.832 121.783 120.300 -0.582 0.000 2.689 272 Y HA 0.863 5.413 4.550 -0.000 0.000 0.333 272 Y C -0.517 175.181 175.900 -0.336 0.000 1.190 272 Y CA -1.214 56.543 58.100 -0.572 0.000 1.063 272 Y CB 1.644 39.766 38.460 -0.563 0.000 1.294 272 Y HN 0.345 nan 8.280 nan 0.000 0.466 273 S N 0.413 116.077 115.700 -0.061 0.000 2.526 273 S HA 0.746 5.216 4.470 0.000 0.000 0.293 273 S C -1.216 173.449 174.600 0.109 0.000 1.092 273 S CA -0.644 57.505 58.200 -0.084 0.000 0.980 273 S CB 1.845 64.873 63.200 -0.286 0.000 1.048 273 S HN 0.865 nan 8.310 nan 0.000 0.483 274 T N 2.251 116.802 114.554 -0.004 0.000 2.982 274 T HA 0.491 4.841 4.350 0.000 0.000 0.321 274 T C -2.511 172.020 174.700 -0.280 0.000 1.229 274 T CA -1.602 60.356 62.100 -0.237 0.000 1.044 274 T CB 1.745 70.585 68.868 -0.045 0.000 1.184 274 T HN 0.300 nan 8.240 nan 0.000 0.477 275 P HA 0.114 nan 4.420 nan 0.000 0.245 275 P C 0.558 177.809 177.300 -0.081 0.000 1.212 275 P CA 0.006 62.960 63.100 -0.244 0.000 0.774 275 P CB 0.075 31.607 31.700 -0.280 0.000 0.999 276 S N 0.796 116.473 115.700 -0.038 0.000 2.544 276 S HA 0.021 4.491 4.470 0.000 0.000 0.290 276 S C 1.191 175.905 174.600 0.189 0.000 1.276 276 S CA -0.130 58.185 58.200 0.191 0.000 1.075 276 S CB 0.164 63.524 63.200 0.266 0.000 0.849 276 S HN 0.040 nan 8.310 nan 0.000 0.494 277 K N 3.677 124.200 120.400 0.204 0.000 2.432 277 K HA 0.029 4.349 4.320 0.000 0.000 0.196 277 K C 0.449 176.963 176.600 -0.144 0.000 1.038 277 K CA 0.942 57.208 56.287 -0.034 0.000 0.986 277 K CB -0.016 32.366 32.500 -0.196 0.000 0.782 277 K HN 0.657 nan 8.250 nan 0.000 0.485 278 F N 0.460 120.476 119.950 0.110 0.000 2.746 278 F HA 0.125 4.652 4.527 0.000 0.000 0.297 278 F C 0.708 176.582 175.800 0.124 0.000 1.113 278 F CA -0.267 57.801 58.000 0.113 0.000 1.367 278 F CB 0.277 39.361 39.000 0.140 0.000 1.111 278 F HN -0.107 nan 8.300 nan 0.000 0.590 279 Q N 1.266 121.243 119.800 0.294 0.000 2.325 279 Q HA 0.351 4.691 4.340 0.000 0.000 0.270 279 Q C -0.258 175.840 176.000 0.163 0.000 1.020 279 Q CA -0.787 55.154 55.803 0.229 0.000 0.785 279 Q CB 1.444 30.333 28.738 0.253 0.000 1.259 279 Q HN 0.153 nan 8.270 nan 0.000 0.452 280 S N 2.523 118.294 115.700 0.119 0.000 2.564 280 S HA 0.773 5.243 4.470 0.000 0.000 0.278 280 S C 0.059 174.668 174.600 0.015 0.000 1.333 280 S CA 0.216 58.451 58.200 0.059 0.000 1.048 280 S CB 0.806 64.032 63.200 0.043 0.000 0.900 280 S HN 0.926 nan 8.310 nan 0.000 0.505 281 S N 1.759 117.437 115.700 -0.036 0.000 2.815 281 S HA 0.857 5.327 4.470 0.000 0.000 0.296 281 S C 0.515 175.064 174.600 -0.086 0.000 1.224 281 S CA -0.315 57.779 58.200 -0.178 0.000 0.938 281 S CB 0.116 63.214 63.200 -0.170 0.000 1.285 281 S HN 2.386 nan 8.310 nan 0.000 0.549 282 G N 0.834 109.552 108.800 -0.136 0.000 2.575 282 G HA2 -0.152 3.808 3.960 0.000 0.000 0.267 282 G HA3 -0.152 3.808 3.960 0.000 0.000 0.267 282 G C 0.589 175.674 174.900 0.308 0.000 1.264 282 G CA 0.576 45.689 45.100 0.023 0.000 0.935 282 G HN 1.709 nan 8.290 nan 0.000 0.568 283 L N -0.361 121.157 121.223 0.493 0.000 1.990 283 L HA -0.005 4.335 4.340 0.000 0.000 0.213 283 L C 2.765 179.814 176.870 0.298 0.000 1.072 283 L CA 3.194 58.285 54.840 0.418 0.000 0.755 283 L CB -0.971 41.206 42.059 0.196 0.000 0.889 283 L HN 0.920 nan 8.230 nan 0.000 0.432 284 L N -0.817 120.513 121.223 0.179 0.000 1.990 284 L HA -0.257 4.083 4.340 0.000 0.000 0.213 284 L C 2.753 179.732 176.870 0.181 0.000 1.072 284 L CA 2.349 57.276 54.840 0.146 0.000 0.755 284 L CB -1.215 40.890 42.059 0.077 0.000 0.889 284 L HN 0.530 nan 8.230 nan 0.000 0.432 285 S N -1.652 114.122 115.700 0.124 0.000 2.368 285 S HA -0.221 4.249 4.470 0.000 0.000 0.224 285 S C 2.030 176.697 174.600 0.111 0.000 1.029 285 S CA 1.229 59.467 58.200 0.064 0.000 0.988 285 S CB -0.662 62.506 63.200 -0.053 0.000 0.838 285 S HN 0.506 nan 8.310 nan 0.000 0.462 286 F N 1.392 121.358 119.950 0.027 0.000 2.134 286 F HA -0.036 4.491 4.527 -0.000 0.000 0.299 286 F C 1.948 177.749 175.800 0.003 0.000 1.097 286 F CA 1.476 59.481 58.000 0.008 0.000 1.264 286 F CB -1.103 37.987 39.000 0.151 0.000 1.001 286 F HN 0.442 nan 8.300 nan 0.000 0.479 287 Y N 1.107 121.403 120.300 -0.006 0.000 2.097 287 Y HA -0.289 4.261 4.550 0.000 0.000 0.282 287 Y C 2.244 178.051 175.900 -0.155 0.000 1.152 287 Y CA 2.432 60.497 58.100 -0.058 0.000 1.136 287 Y CB -0.995 37.508 38.460 0.072 0.000 0.975 287 Y HN 0.156 nan 8.280 nan 0.000 0.498 288 N N 0.114 118.715 118.700 -0.166 0.000 2.104 288 N HA -0.246 4.494 4.740 0.000 0.000 0.190 288 N C 1.883 177.210 175.510 -0.304 0.000 1.024 288 N CA 1.417 54.316 53.050 -0.251 0.000 0.853 288 N CB -0.255 38.200 38.487 -0.053 0.000 1.008 288 N HN 0.341 nan 8.380 nan 0.000 0.424 289 K N 1.391 121.629 120.400 -0.270 0.000 2.026 289 K HA -0.084 4.236 4.320 0.000 0.000 0.208 289 K C 1.907 178.261 176.600 -0.409 0.000 1.048 289 K CA 0.918 57.036 56.287 -0.281 0.000 0.929 289 K CB -0.048 32.326 32.500 -0.209 0.000 0.713 289 K HN 0.131 nan 8.250 nan 0.000 0.439 290 L N 0.878 121.733 121.223 -0.613 0.000 2.131 290 L HA -0.164 4.176 4.340 0.000 0.000 0.210 290 L C 2.434 179.042 176.870 -0.437 0.000 1.092 290 L CA 0.921 55.375 54.840 -0.643 0.000 0.759 290 L CB -0.351 41.106 42.059 -1.003 0.000 0.903 290 L HN 0.259 nan 8.230 nan 0.000 0.435 291 E N 0.340 120.251 120.200 -0.482 0.000 2.028 291 E HA -0.240 4.110 4.350 0.000 0.000 0.191 291 E C 2.071 178.521 176.600 -0.249 0.000 0.988 291 E CA 1.048 57.223 56.400 -0.375 0.000 0.799 291 E CB -0.117 29.294 29.700 -0.482 0.000 0.755 291 E HN 0.376 nan 8.360 nan 0.000 0.447 292 K N 0.876 121.128 120.400 -0.247 0.000 2.097 292 K HA -0.082 4.238 4.320 0.000 0.000 0.206 292 K C 2.075 178.560 176.600 -0.192 0.000 1.049 292 K CA 0.796 56.974 56.287 -0.182 0.000 0.933 292 K CB -0.046 32.358 32.500 -0.160 0.000 0.717 292 K HN 0.054 nan 8.250 nan 0.000 0.442 293 L N 0.091 121.151 121.223 -0.272 0.000 2.554 293 L HA 0.065 4.405 4.340 0.000 0.000 0.226 293 L C 0.971 177.694 176.870 -0.246 0.000 1.137 293 L CA -0.180 54.435 54.840 -0.375 0.000 0.863 293 L CB 0.338 41.941 42.059 -0.760 0.000 0.985 293 L HN 0.086 nan 8.230 nan 0.000 0.451 301 D N 1.948 122.348 120.400 -0.000 0.000 3.088 301 D HA 0.455 5.095 4.640 0.000 0.000 0.310 301 D C -0.523 175.772 176.300 -0.008 0.000 1.351 301 D CA 0.010 54.007 54.000 -0.005 0.000 0.921 301 D CB 0.563 41.361 40.800 -0.005 0.000 1.045 301 D HN 0.535 nan 8.370 nan 0.000 0.504 302 T N -2.850 111.697 114.554 -0.010 0.000 2.923 302 T HA 0.740 5.090 4.350 0.000 0.000 0.311 302 T C -0.224 174.456 174.700 -0.033 0.000 1.183 302 T CA -1.128 60.962 62.100 -0.017 0.000 1.020 302 T CB 1.694 70.552 68.868 -0.016 0.000 1.165 302 T HN 0.025 nan 8.240 nan 0.000 0.482 303 A N 2.400 125.186 122.820 -0.056 0.000 2.407 303 A HA 0.624 4.944 4.320 0.000 0.000 0.248 303 A C 0.091 177.555 177.584 -0.200 0.000 1.082 303 A CA -0.588 51.356 52.037 -0.154 0.000 0.785 303 A CB 0.158 19.035 19.000 -0.204 0.000 1.020 303 A HN 0.638 nan 8.150 nan 0.000 0.489 304 K N 3.076 123.351 120.400 -0.209 0.000 2.334 304 K HA 0.280 4.600 4.320 0.000 0.000 0.265 304 K C -0.890 175.661 176.600 -0.082 0.000 1.039 304 K CA -0.150 56.120 56.287 -0.028 0.000 0.920 304 K CB 0.674 33.258 32.500 0.140 0.000 1.160 304 K HN 0.731 nan 8.250 nan 0.000 0.451 305 H N 2.858 121.962 119.070 0.056 0.000 2.519 305 H HA 0.238 4.794 4.556 0.000 0.000 0.316 305 H C -0.682 174.710 175.328 0.107 0.000 1.065 305 H CA -0.331 55.809 56.048 0.152 0.000 1.264 305 H CB 0.820 30.499 29.762 -0.138 0.000 1.413 305 H HN 0.392 nan 8.280 nan 0.000 0.465 306 Y N 2.961 123.551 120.300 0.484 0.000 2.363 306 Y HA 0.226 4.776 4.550 0.000 0.000 0.325 306 Y C -0.165 176.167 175.900 0.720 0.000 0.984 306 Y CA -0.453 57.913 58.100 0.444 0.000 1.248 306 Y CB 1.520 40.025 38.460 0.076 0.000 1.116 306 Y HN 0.446 nan 8.280 nan 0.000 0.470 307 L N 3.915 125.486 121.223 0.579 0.000 2.334 307 L HA 0.830 5.170 4.340 0.000 0.000 0.276 307 L C -1.120 175.770 176.870 0.033 0.000 1.014 307 L CA -0.563 54.410 54.840 0.221 0.000 0.815 307 L CB 1.246 42.961 42.059 -0.574 0.000 1.268 307 L HN 0.799 nan 8.230 nan 0.000 0.428 308 C N 4.899 124.009 119.300 -0.317 0.000 2.482 308 C HA 0.486 4.946 4.460 0.000 0.000 0.317 308 C C -0.919 173.757 174.990 -0.524 0.000 1.197 308 C CA -0.429 58.134 59.018 -0.758 0.000 1.432 308 C CB 1.557 28.380 27.740 -1.527 0.000 2.062 308 C HN 0.887 nan 8.230 nan 0.000 0.471 309 Q N 4.180 123.716 119.800 -0.441 0.000 2.341 309 Q HA 0.561 4.901 4.340 0.000 0.000 0.268 309 Q C -1.024 174.911 176.000 -0.107 0.000 1.013 309 Q CA 0.263 55.935 55.803 -0.219 0.000 0.798 309 Q CB 1.989 30.643 28.738 -0.140 0.000 1.253 309 Q HN 0.912 nan 8.270 nan 0.000 0.457 310 T N 0.856 115.427 114.554 0.028 0.000 2.900 310 T HA 0.368 4.718 4.350 0.000 0.000 0.303 310 T C 0.624 175.517 174.700 0.322 0.000 1.142 310 T CA 0.057 62.220 62.100 0.104 0.000 1.007 310 T CB 1.289 70.179 68.868 0.037 0.000 1.156 310 T HN 0.558 nan 8.240 nan 0.000 0.490 311 S N 1.373 117.215 115.700 0.237 0.000 2.503 311 S HA 0.315 4.785 4.470 0.000 0.000 0.217 311 S C 0.602 175.489 174.600 0.479 0.000 0.999 311 S CA -0.255 58.099 58.200 0.258 0.000 0.914 311 S CB 0.208 63.294 63.200 -0.191 0.000 0.782 311 S HN 0.464 nan 8.310 nan 0.000 0.520 312 S N 0.783 116.714 115.700 0.385 0.000 2.536 312 S HA 0.653 5.123 4.470 0.000 0.000 0.287 312 S C -0.963 173.766 174.600 0.215 0.000 1.101 312 S CA -0.719 57.712 58.200 0.385 0.000 0.950 312 S CB 1.497 64.862 63.200 0.274 0.000 1.056 312 S HN 0.324 nan 8.310 nan 0.000 0.481 313 I N 2.547 123.183 120.570 0.109 0.000 2.411 313 I HA 0.391 4.561 4.170 0.000 0.000 0.284 313 I C 0.936 177.116 176.117 0.106 0.000 1.012 313 I CA -0.581 60.664 61.300 -0.092 0.000 1.119 313 I CB 1.400 38.951 38.000 -0.749 0.000 1.261 313 I HN 0.735 nan 8.210 nan 0.000 0.448 314 G N 3.934 112.824 108.800 0.150 0.000 2.667 314 G HA2 0.340 4.300 3.960 0.000 0.000 0.250 314 G HA3 0.340 4.300 3.960 0.000 0.000 0.250 314 G C 0.365 175.414 174.900 0.248 0.000 1.212 314 G CA -0.208 45.011 45.100 0.198 0.000 0.874 314 G HN 0.596 nan 8.290 nan 0.000 0.561 315 T N -1.715 112.921 114.554 0.138 0.000 2.770 315 T HA 0.446 4.796 4.350 0.000 0.000 0.281 315 T C 1.005 175.552 174.700 -0.256 0.000 0.981 315 T CA -0.024 62.017 62.100 -0.098 0.000 0.955 315 T CB 0.959 69.754 68.868 -0.122 0.000 1.060 315 T HN 0.647 nan 8.240 nan 0.000 0.531 316 S N -0.622 114.643 115.700 -0.726 0.000 2.558 316 S HA 0.031 4.501 4.470 0.000 0.000 0.287 316 S C 1.299 175.813 174.600 -0.144 0.000 1.321 316 S CA -0.605 57.345 58.200 -0.416 0.000 1.048 316 S CB -0.583 62.355 63.200 -0.436 0.000 0.844 316 S HN 0.592 nan 8.310 nan 0.000 0.512 317 L N 2.936 124.120 121.223 -0.065 0.000 2.376 317 L HA 0.078 4.418 4.340 0.000 0.000 0.219 317 L C 1.041 177.884 176.870 -0.045 0.000 1.133 317 L CA 0.356 55.176 54.840 -0.034 0.000 0.816 317 L CB -0.502 41.545 42.059 -0.020 0.000 0.933 317 L HN 0.704 nan 8.230 nan 0.000 0.449 318 S N -1.710 113.951 115.700 -0.065 0.000 2.569 318 S HA 0.484 4.954 4.470 0.000 0.000 0.280 318 S C 0.286 174.848 174.600 -0.062 0.000 1.111 318 S CA -0.989 57.180 58.200 -0.052 0.000 0.887 318 S CB 2.135 65.312 63.200 -0.039 0.000 1.095 318 S HN 0.004 nan 8.310 nan 0.000 0.476 319 R N 1.213 121.685 120.500 -0.047 0.000 2.161 319 R HA 0.382 4.722 4.340 0.000 0.000 0.213 319 R C 2.058 178.338 176.300 -0.032 0.000 1.055 319 R CA 1.158 57.230 56.100 -0.046 0.000 0.996 319 R CB -0.883 29.394 30.300 -0.038 0.000 0.901 319 R HN 0.710 nan 8.270 nan 0.000 0.456 320 A N 0.949 123.755 122.820 -0.024 0.000 1.903 320 A HA 0.144 4.464 4.320 0.000 0.000 0.213 320 A C 0.820 178.401 177.584 -0.005 0.000 1.185 320 A CA 0.635 52.665 52.037 -0.012 0.000 0.628 320 A CB 0.063 19.058 19.000 -0.009 0.000 0.830 320 A HN 0.117 nan 8.150 nan 0.000 0.446 321 R N -0.204 120.290 120.500 -0.010 0.000 2.902 321 R HA 0.485 4.825 4.340 0.000 0.000 0.258 321 R C -1.638 174.659 176.300 -0.006 0.000 1.071 321 R CA -0.817 55.284 56.100 0.002 0.000 1.024 321 R CB 0.758 31.060 30.300 0.004 0.000 1.184 321 R HN 0.054 nan 8.270 nan 0.000 0.492 322 D N 2.042 122.460 120.400 0.031 0.000 2.411 322 D HA 0.161 4.801 4.640 0.000 0.000 0.225 322 D C -0.849 175.393 176.300 -0.097 0.000 1.156 322 D CA 0.140 54.200 54.000 0.100 0.000 0.874 322 D CB 0.889 41.819 40.800 0.216 0.000 1.034 322 D HN 0.330 nan 8.370 nan 0.000 0.502 323 E N 1.623 121.722 120.200 -0.168 0.000 2.244 323 E HA 0.186 4.536 4.350 0.000 0.000 0.260 323 E C -0.565 175.929 176.600 -0.177 0.000 0.884 323 E CA -0.751 55.286 56.400 -0.606 0.000 0.777 323 E CB 2.161 31.656 29.700 -0.342 0.000 1.197 323 E HN 0.212 nan 8.360 nan 0.000 0.416 324 N N 3.677 122.275 118.700 -0.170 0.000 2.473 324 N HA 0.079 4.819 4.740 0.000 0.000 0.291 324 N C 0.745 176.324 175.510 0.115 0.000 1.083 324 N CA -0.293 52.838 53.050 0.135 0.000 0.951 324 N CB 1.484 39.990 38.487 0.032 0.000 1.164 324 N HN 0.426 nan 8.380 nan 0.000 0.480 325 L N 5.265 126.565 121.223 0.130 0.000 2.043 325 L HA -0.116 4.224 4.340 0.000 0.000 0.212 325 L C 1.912 178.853 176.870 0.119 0.000 1.075 325 L CA 1.755 56.652 54.840 0.094 0.000 0.752 325 L CB -0.654 41.467 42.059 0.104 0.000 0.891 325 L HN 0.719 nan 8.230 nan 0.000 0.432 326 W N -0.201 121.050 121.300 -0.082 0.000 2.413 326 W HA -0.227 4.433 4.660 -0.000 0.000 0.315 326 W C 2.436 178.870 176.519 -0.142 0.000 1.186 326 W CA 1.909 59.195 57.345 -0.098 0.000 1.326 326 W CB -0.221 29.210 29.460 -0.049 0.000 1.153 326 W HN 0.402 nan 8.180 nan 0.000 0.489 327 T N -2.335 112.157 114.554 -0.103 0.000 2.857 327 T HA -0.201 4.149 4.350 0.000 0.000 0.266 327 T C 1.169 175.655 174.700 -0.356 0.000 1.048 327 T CA 1.601 63.453 62.100 -0.414 0.000 1.139 327 T CB -0.709 67.534 68.868 -1.043 0.000 0.874 327 T HN 0.151 nan 8.240 nan 0.000 0.455 328 H N -0.707 118.217 119.070 -0.243 0.000 2.592 328 H HA 0.532 5.088 4.556 0.000 0.000 0.265 328 H C 1.420 176.658 175.328 -0.150 0.000 0.955 328 H CA 0.358 56.318 56.048 -0.147 0.000 1.175 328 H CB 0.530 30.241 29.762 -0.086 0.000 1.433 328 H HN 0.257 nan 8.280 nan 0.000 0.537 329 L N -1.401 119.767 121.223 -0.093 0.000 2.691 329 L HA 0.231 4.571 4.340 0.000 0.000 0.185 329 L C 1.655 178.294 176.870 -0.384 0.000 1.081 329 L CA 0.744 55.471 54.840 -0.188 0.000 0.865 329 L CB -0.323 41.657 42.059 -0.132 0.000 1.370 329 L HN 0.047 nan 8.230 nan 0.000 0.488 330 M N -0.327 119.001 119.600 -0.453 0.000 2.059 330 M HA -0.193 4.287 4.480 0.000 0.000 0.259 330 M C 2.191 177.749 176.300 -1.237 0.000 1.072 330 M CA 2.267 57.043 55.300 -0.875 0.000 1.117 330 M CB -0.479 31.805 32.600 -0.527 0.000 1.320 330 M HN 0.228 nan 8.290 nan 0.000 0.408 331 I N -0.342 119.635 120.570 -0.988 0.000 2.163 331 I HA -0.220 3.950 4.170 0.000 0.000 0.243 331 I C -0.641 175.057 176.117 -0.698 0.000 1.085 331 I CA 1.530 62.218 61.300 -1.021 0.000 1.347 331 I CB -1.756 35.649 38.000 -0.993 0.000 1.044 331 I HN 0.150 nan 8.210 nan 0.000 0.408 332 P HA -0.166 nan 4.420 nan 0.000 0.215 332 P C 1.963 179.105 177.300 -0.263 0.000 1.153 332 P CA 1.458 64.387 63.100 -0.286 0.000 0.853 332 P CB 0.054 31.642 31.700 -0.187 0.000 0.788 333 L N -2.240 118.773 121.223 -0.351 0.000 2.017 333 L HA -0.155 4.185 4.340 0.000 0.000 0.208 333 L C 2.450 179.387 176.870 0.112 0.000 1.073 333 L CA 1.578 56.281 54.840 -0.230 0.000 0.745 333 L CB -0.873 40.906 42.059 -0.467 0.000 0.894 333 L HN -0.029 nan 8.230 nan 0.000 0.432 334 F N -0.051 119.847 119.950 -0.087 0.000 2.171 334 F HA -0.240 4.287 4.527 0.000 0.000 0.300 334 F C 2.785 178.531 175.800 -0.090 0.000 1.090 334 F CA 1.219 59.180 58.000 -0.066 0.000 1.293 334 F CB -0.618 38.299 39.000 -0.139 0.000 1.013 334 F HN 0.272 nan 8.300 nan 0.000 0.486 335 T N -3.251 111.276 114.554 -0.045 0.000 3.043 335 T HA 0.299 4.649 4.350 0.000 0.000 0.263 335 T C 1.733 176.430 174.700 -0.006 0.000 1.094 335 T CA 0.824 62.891 62.100 -0.054 0.000 1.127 335 T CB 0.342 69.090 68.868 -0.201 0.000 0.905 335 T HN 0.472 nan 8.240 nan 0.000 0.490 336 G N 1.025 109.830 108.800 0.008 0.000 2.195 336 G HA2 -0.231 3.729 3.960 0.000 0.000 0.224 336 G HA3 -0.231 3.729 3.960 0.000 0.000 0.224 336 G C 0.844 175.737 174.900 -0.012 0.000 0.990 336 G CA 0.102 45.216 45.100 0.024 0.000 0.639 336 G HN 0.523 nan 8.290 nan 0.000 0.514 337 I N 0.170 120.711 120.570 -0.049 0.000 2.315 337 I HA -0.011 4.159 4.170 0.000 0.000 0.251 337 I C 1.653 177.743 176.117 -0.045 0.000 1.125 337 I CA 1.640 62.912 61.300 -0.047 0.000 1.392 337 I CB -0.089 37.876 38.000 -0.059 0.000 1.065 337 I HN 0.489 nan 8.210 nan 0.000 0.424 338 M N -0.757 118.804 119.600 -0.064 0.000 2.644 338 M HA 0.452 4.932 4.480 0.000 0.000 0.304 338 M C -0.940 175.317 176.300 -0.071 0.000 1.215 338 M CA -0.360 54.894 55.300 -0.077 0.000 0.871 338 M CB 2.404 34.933 32.600 -0.119 0.000 1.740 338 M HN -0.165 nan 8.290 nan 0.000 0.464 339 S N 2.370 118.025 115.700 -0.075 0.000 2.537 339 S HA 0.766 5.236 4.470 0.000 0.000 0.270 339 S C -2.581 171.968 174.600 -0.085 0.000 1.142 339 S CA -0.954 57.213 58.200 -0.055 0.000 0.870 339 S CB 1.537 64.749 63.200 0.019 0.000 1.112 339 S HN 0.767 nan 8.310 nan 0.000 0.466 354 L N 5.785 127.023 121.223 0.025 0.000 2.473 354 L HA 0.333 4.673 4.340 0.000 0.000 0.268 354 L C -2.082 174.823 176.870 0.058 0.000 1.215 354 L CA -1.481 53.373 54.840 0.023 0.000 0.823 354 L CB -0.071 41.988 42.059 -0.000 0.000 1.099 354 L HN 0.225 nan 8.230 nan 0.000 0.483 355 P HA 0.062 nan 4.420 nan 0.000 0.271 355 P C 0.512 177.841 177.300 0.049 0.000 1.218 355 P CA -0.152 62.980 63.100 0.053 0.000 0.780 355 P CB 0.622 32.334 31.700 0.020 0.000 0.901 356 T N 0.618 115.234 114.554 0.103 0.000 2.624 356 T HA -0.193 4.157 4.350 0.000 0.000 0.268 356 T C 1.534 176.176 174.700 -0.096 0.000 1.041 356 T CA 1.628 63.777 62.100 0.082 0.000 1.159 356 T CB -0.726 68.241 68.868 0.165 0.000 0.863 356 T HN 0.477 nan 8.240 nan 0.000 0.434 357 N N 0.967 119.614 118.700 -0.087 0.000 2.104 357 N HA -0.063 4.677 4.740 0.000 0.000 0.190 357 N C 2.202 177.640 175.510 -0.120 0.000 1.024 357 N CA 1.194 54.166 53.050 -0.130 0.000 0.853 357 N CB -0.457 37.979 38.487 -0.085 0.000 1.008 357 N HN 0.307 nan 8.380 nan 0.000 0.424 358 S N 1.149 116.805 115.700 -0.073 0.000 2.370 358 S HA -0.074 4.396 4.470 0.000 0.000 0.226 358 S C 1.964 176.527 174.600 -0.062 0.000 1.033 358 S CA 0.610 58.778 58.200 -0.053 0.000 1.011 358 S CB -0.207 62.976 63.200 -0.028 0.000 0.852 358 S HN 0.130 nan 8.310 nan 0.000 0.457 359 L N 1.607 122.775 121.223 -0.092 0.000 2.056 359 L HA 0.054 4.394 4.340 0.000 0.000 0.207 359 L C 2.029 178.776 176.870 -0.206 0.000 1.078 359 L CA 1.387 56.166 54.840 -0.103 0.000 0.749 359 L CB -0.788 41.168 42.059 -0.172 0.000 0.901 359 L HN 0.315 nan 8.230 nan 0.000 0.433 360 I N -0.513 119.834 120.570 -0.373 0.000 2.264 360 I HA -0.324 3.847 4.170 0.000 0.000 0.248 360 I C 2.022 178.031 176.117 -0.181 0.000 1.111 360 I CA 0.993 62.018 61.300 -0.457 0.000 1.382 360 I CB -0.416 37.269 38.000 -0.525 0.000 1.060 360 I HN 0.384 nan 8.210 nan 0.000 0.418 361 N N 0.561 119.193 118.700 -0.114 0.000 2.106 361 N HA -0.147 4.593 4.740 0.000 0.000 0.188 361 N C 1.758 177.273 175.510 0.009 0.000 1.029 361 N CA 1.045 54.065 53.050 -0.051 0.000 0.848 361 N CB -0.283 38.174 38.487 -0.049 0.000 1.007 361 N HN 0.315 nan 8.380 nan 0.000 0.423 362 E N 0.647 120.872 120.200 0.041 0.000 2.070 362 E HA -0.176 4.174 4.350 0.000 0.000 0.197 362 E C 1.917 178.598 176.600 0.135 0.000 1.004 362 E CA 0.980 57.428 56.400 0.081 0.000 0.805 362 E CB -0.482 29.280 29.700 0.105 0.000 0.744 362 E HN 0.432 nan 8.360 nan 0.000 0.451 363 Y N 1.498 121.757 120.300 -0.067 0.000 2.128 363 Y HA -0.186 4.364 4.550 0.000 0.000 0.284 363 Y C 2.816 178.683 175.900 -0.055 0.000 1.154 363 Y CA 1.240 59.307 58.100 -0.056 0.000 1.149 363 Y CB -0.782 37.650 38.460 -0.048 0.000 0.976 363 Y HN -0.039 nan 8.280 nan 0.000 0.505 364 S N -0.230 115.532 115.700 0.103 0.000 2.353 364 S HA -0.262 4.208 4.470 0.000 0.000 0.222 364 S C 1.920 176.526 174.600 0.010 0.000 1.035 364 S CA 1.626 59.843 58.200 0.029 0.000 1.025 364 S CB -0.463 62.734 63.200 -0.005 0.000 0.902 364 S HN 0.540 nan 8.310 nan 0.000 0.440 365 Q N 0.363 120.168 119.800 0.009 0.000 2.170 365 Q HA -0.026 4.314 4.340 0.000 0.000 0.203 365 Q C 2.071 178.065 176.000 -0.009 0.000 0.976 365 Q CA 1.046 56.847 55.803 -0.003 0.000 0.858 365 Q CB -0.139 28.598 28.738 -0.003 0.000 0.907 365 Q HN 0.427 nan 8.270 nan 0.000 0.433 366 R N 0.212 120.703 120.500 -0.014 0.000 2.300 366 R HA 0.085 4.425 4.340 0.000 0.000 0.199 366 R C 0.031 176.305 176.300 -0.043 0.000 0.920 366 R CA 0.102 56.182 56.100 -0.033 0.000 1.046 366 R CB 0.340 30.605 30.300 -0.058 0.000 0.984 366 R HN 0.048 nan 8.270 nan 0.000 0.493 367 K N 0.548 120.925 120.400 -0.039 0.000 3.167 367 K HA -0.163 4.157 4.320 0.000 0.000 0.272 367 K C -0.714 175.832 176.600 -0.091 0.000 1.137 367 K CA 0.453 56.709 56.287 -0.052 0.000 0.800 367 K CB -1.686 30.782 32.500 -0.053 0.000 1.253 367 K HN 0.248 nan 8.250 nan 0.000 0.497 368 I N 1.328 121.829 120.570 -0.114 0.000 2.416 368 I HA 0.095 4.265 4.170 0.000 0.000 0.288 368 I C 0.488 176.553 176.117 -0.087 0.000 1.051 368 I CA -0.085 61.103 61.300 -0.187 0.000 1.375 368 I CB 0.963 38.628 38.000 -0.559 0.000 1.407 368 I HN 0.060 nan 8.210 nan 0.000 0.516 369 K N 9.015 129.405 120.400 -0.017 0.000 2.507 369 K HA 0.453 4.773 4.320 0.000 0.000 0.253 369 K C -2.633 174.096 176.600 0.216 0.000 0.969 369 K CA -1.688 54.634 56.287 0.058 0.000 0.908 369 K CB 1.679 34.176 32.500 -0.005 0.000 1.127 369 K HN 0.227 nan 8.250 nan 0.000 0.437 370 P HA 0.204 nan 4.420 nan 0.000 0.288 370 P C -1.454 176.024 177.300 0.297 0.000 1.267 370 P CA -0.331 62.973 63.100 0.340 0.000 0.815 370 P CB 0.746 32.613 31.700 0.279 0.000 0.989 371 Y N 1.682 122.223 120.300 0.401 0.000 2.442 371 Y HA 0.595 5.145 4.550 0.000 0.000 0.344 371 Y C 0.320 176.316 175.900 0.160 0.000 0.976 371 Y CA -1.013 57.195 58.100 0.181 0.000 1.040 371 Y CB 2.553 40.882 38.460 -0.218 0.000 1.228 371 Y HN 0.109 nan 8.280 nan 0.000 0.451 372 I N 4.730 125.468 120.570 0.279 0.000 2.500 372 I HA 0.345 4.515 4.170 0.000 0.000 0.286 372 I C -0.995 175.257 176.117 0.226 0.000 1.063 372 I CA -0.523 60.832 61.300 0.092 0.000 1.062 372 I CB 1.668 39.683 38.000 0.025 0.000 1.223 372 I HN 0.522 nan 8.210 nan 0.000 0.435 373 I N 6.465 127.077 120.570 0.069 0.000 2.312 373 I HA 0.343 4.513 4.170 0.000 0.000 0.291 373 I C -0.831 175.442 176.117 0.260 0.000 1.031 373 I CA -0.166 61.196 61.300 0.102 0.000 1.293 373 I CB 0.767 38.625 38.000 -0.237 0.000 1.403 373 I HN 0.387 nan 8.210 nan 0.000 0.484 374 F N 9.177 129.237 119.950 0.183 0.000 2.628 374 F HA 0.506 5.033 4.527 0.000 0.000 0.309 374 F C -2.465 173.465 175.800 0.216 0.000 1.108 374 F CA -2.004 56.124 58.000 0.213 0.000 0.971 374 F CB 2.200 41.335 39.000 0.226 0.000 1.279 374 F HN 0.223 nan 8.300 nan 0.000 0.441 375 P HA 0.118 nan 4.420 nan 0.000 0.268 375 P C -0.503 176.822 177.300 0.041 0.000 1.204 375 P CA 0.049 62.935 63.100 -0.357 0.000 0.768 375 P CB 0.901 32.079 31.700 -0.869 0.000 0.842 376 T N -0.854 113.673 114.554 -0.045 0.000 2.847 376 T HA 0.187 4.537 4.350 0.000 0.000 0.279 376 T C 1.249 176.031 174.700 0.136 0.000 0.984 376 T CA -0.534 61.583 62.100 0.028 0.000 0.988 376 T CB 0.884 69.602 68.868 -0.249 0.000 1.040 376 T HN 0.373 nan 8.240 nan 0.000 0.528 377 E N -0.143 120.224 120.200 0.278 0.000 2.077 377 E HA -0.190 4.160 4.350 0.000 0.000 0.193 377 E C 2.123 178.891 176.600 0.280 0.000 0.989 377 E CA 0.755 57.427 56.400 0.454 0.000 0.800 377 E CB -0.058 29.875 29.700 0.388 0.000 0.746 377 E HN 0.601 nan 8.360 nan 0.000 0.452 378 Q N 1.068 120.923 119.800 0.092 0.000 2.230 378 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 378 Q C 1.525 177.440 176.000 -0.142 0.000 0.963 378 Q CA 1.033 56.837 55.803 0.001 0.000 0.866 378 Q CB 0.136 28.860 28.738 -0.024 0.000 0.931 378 Q HN 0.397 nan 8.270 nan 0.000 0.452 379 E N -0.837 119.211 120.200 -0.253 0.000 2.265 379 E HA -0.144 4.206 4.350 0.000 0.000 0.196 379 E C 1.487 177.738 176.600 -0.582 0.000 0.996 379 E CA 0.608 56.757 56.400 -0.418 0.000 0.832 379 E CB -0.083 29.313 29.700 -0.507 0.000 0.756 379 E HN 0.371 nan 8.360 nan 0.000 0.491 380 F N -0.298 119.369 119.950 -0.471 0.000 2.367 380 F HA -0.114 4.413 4.527 0.000 0.000 0.298 380 F C 2.179 177.452 175.800 -0.878 0.000 1.094 380 F CA 0.248 57.786 58.000 -0.770 0.000 1.409 380 F CB 0.061 38.345 39.000 -1.194 0.000 1.064 380 F HN -0.122 nan 8.300 nan 0.000 0.528 381 V N -0.432 119.157 119.914 -0.542 0.000 2.490 381 V HA -0.244 3.876 4.120 0.000 0.000 0.250 381 V C 1.891 177.820 176.094 -0.276 0.000 1.061 381 V CA 2.175 64.218 62.300 -0.428 0.000 1.064 381 V CB -1.196 30.531 31.823 -0.160 0.000 0.670 381 V HN 0.476 nan 8.190 nan 0.000 0.461 382 T N -3.006 111.398 114.554 -0.252 0.000 3.264 382 T HA 0.270 4.620 4.350 0.000 0.000 0.257 382 T C 0.349 174.926 174.700 -0.206 0.000 0.976 382 T CA -0.105 61.882 62.100 -0.189 0.000 0.908 382 T CB 0.043 68.817 68.868 -0.157 0.000 1.082 382 T HN 0.208 nan 8.240 nan 0.000 0.567 383 S N 2.572 118.131 115.700 -0.234 0.000 2.472 383 S HA 0.439 4.909 4.470 0.000 0.000 0.303 383 S C -1.762 172.769 174.600 -0.116 0.000 1.099 383 S CA -1.277 56.803 58.200 -0.200 0.000 1.077 383 S CB 1.964 65.036 63.200 -0.212 0.000 1.031 383 S HN 0.041 nan 8.310 nan 0.000 0.487 384 P HA -0.055 nan 4.420 nan 0.000 0.216 384 P C 0.466 177.798 177.300 0.053 0.000 1.153 384 P CA 1.215 64.334 63.100 0.031 0.000 0.858 384 P CB 0.123 31.897 31.700 0.123 0.000 0.789 385 L N -2.547 118.713 121.223 0.062 0.000 2.791 385 L HA 0.143 4.483 4.340 0.000 0.000 0.239 385 L C 0.707 177.580 176.870 0.004 0.000 1.203 385 L CA -0.281 54.566 54.840 0.011 0.000 1.002 385 L CB -0.344 41.681 42.059 -0.056 0.000 1.295 385 L HN -0.094 nan 8.230 nan 0.000 0.504 386 K N -0.224 120.143 120.400 -0.055 0.000 1.699 386 K HA -0.307 4.013 4.320 0.000 0.000 0.127 386 K C 0.733 177.223 176.600 -0.184 0.000 1.157 386 K CA 2.171 58.342 56.287 -0.193 0.000 0.341 386 K CB -1.244 31.238 32.500 -0.031 0.000 0.645 386 K HN 0.309 nan 8.250 nan 0.000 0.848 387 W N 1.808 123.079 121.300 -0.048 0.000 3.292 387 W HA 0.082 4.742 4.660 0.000 0.000 0.263 387 W C 2.021 178.412 176.519 -0.213 0.000 1.318 387 W CA 0.680 57.850 57.345 -0.292 0.000 1.663 387 W CB -0.487 28.784 29.460 -0.314 0.000 1.114 387 W HN 0.344 nan 8.180 nan 0.000 0.706 388 S N 0.774 116.532 115.700 0.097 0.000 2.387 388 S HA -0.211 4.259 4.470 0.000 0.000 0.230 388 S C 1.980 176.702 174.600 0.204 0.000 1.035 388 S CA 2.257 60.514 58.200 0.096 0.000 1.014 388 S CB -0.354 62.861 63.200 0.025 0.000 0.836 388 S HN 0.339 nan 8.310 nan 0.000 0.466 389 S N 1.273 117.131 115.700 0.263 0.000 2.558 389 S HA 0.054 4.524 4.470 0.000 0.000 0.217 389 S C 1.754 176.691 174.600 0.562 0.000 0.975 389 S CA 0.646 59.160 58.200 0.524 0.000 0.912 389 S CB -0.292 63.181 63.200 0.456 0.000 0.776 389 S HN 0.552 nan 8.310 nan 0.000 0.526 390 S N 1.675 117.388 115.700 0.021 0.000 2.419 390 S HA 0.016 4.486 4.470 0.000 0.000 0.233 390 S C 1.996 176.645 174.600 0.082 0.000 1.016 390 S CA 0.939 58.922 58.200 -0.362 0.000 0.974 390 S CB -1.364 60.988 63.200 -1.413 0.000 0.786 390 S HN 0.626 nan 8.310 nan 0.000 0.492 391 G N 0.084 108.861 108.800 -0.037 0.000 2.501 391 G HA2 -0.132 3.828 3.960 0.000 0.000 0.220 391 G HA3 -0.132 3.828 3.960 0.000 0.000 0.220 391 G C 0.933 175.613 174.900 -0.366 0.000 1.114 391 G CA 0.383 45.313 45.100 -0.284 0.000 0.757 391 G HN 0.648 nan 8.290 nan 0.000 0.559 392 W N -0.364 120.973 121.300 0.063 0.000 3.316 392 W HA 0.435 5.095 4.660 0.000 0.000 0.327 392 W C -0.697 175.576 176.519 -0.409 0.000 1.232 392 W CA -0.654 56.645 57.345 -0.076 0.000 1.805 392 W CB -0.034 29.334 29.460 -0.153 0.000 1.090 392 W HN -0.004 nan 8.180 nan 0.000 0.654 393 F N 0.493 120.507 119.950 0.106 0.000 2.382 393 F HA 0.257 4.784 4.527 0.000 0.000 0.361 393 F C -0.309 175.637 175.800 0.244 0.000 1.109 393 F CA -0.772 57.395 58.000 0.278 0.000 1.031 393 F CB 0.456 39.604 39.000 0.247 0.000 1.234 393 F HN -0.191 nan 8.300 nan 0.000 0.445 394 H N 3.796 123.281 119.070 0.691 0.000 2.587 394 H HA 0.463 5.019 4.556 0.000 0.000 0.325 394 H C -1.262 174.402 175.328 0.559 0.000 1.012 394 H CA -0.727 55.647 56.048 0.542 0.000 1.213 394 H CB 1.345 31.309 29.762 0.337 0.000 1.431 394 H HN 0.429 nan 8.280 nan 0.000 0.492 395 F N 3.273 123.432 119.950 0.349 0.000 3.090 395 F HA 0.248 4.775 4.527 -0.000 0.000 0.381 395 F C -1.284 174.562 175.800 0.075 0.000 1.231 395 F CA -1.073 57.019 58.000 0.153 0.000 1.177 395 F CB 1.226 40.136 39.000 -0.149 0.000 1.598 395 F HN 0.447 nan 8.300 nan 0.000 0.589 396 Q N 6.305 126.208 119.800 0.171 0.000 2.490 396 Q HA 0.136 4.476 4.340 0.000 0.000 0.226 396 Q C -0.223 175.682 176.000 -0.158 0.000 1.132 396 Q CA -0.127 55.597 55.803 -0.132 0.000 0.928 396 Q CB 0.291 29.022 28.738 -0.012 0.000 1.299 396 Q HN 0.835 nan 8.270 nan 0.000 0.528 397 Y N -1.236 118.844 120.300 -0.366 0.000 2.481 397 Y HA 0.294 4.844 4.550 -0.000 0.000 0.247 397 Y C 1.068 176.858 175.900 -0.184 0.000 1.151 397 Y CA -0.296 57.637 58.100 -0.279 0.000 1.238 397 Y CB -0.037 38.071 38.460 -0.588 0.000 1.179 397 Y HN 0.276 nan 8.280 nan 0.000 0.524 398 L N 0.148 121.141 121.223 -0.383 0.000 2.131 398 L HA -0.150 4.190 4.340 0.000 0.000 0.210 398 L C 1.774 178.608 176.870 -0.060 0.000 1.092 398 L CA 1.168 55.883 54.840 -0.209 0.000 0.759 398 L CB -0.315 41.570 42.059 -0.289 0.000 0.903 398 L HN 0.281 nan 8.230 nan 0.000 0.435 399 Q N -0.084 119.684 119.800 -0.054 0.000 2.451 399 Q HA -0.024 4.316 4.340 0.000 0.000 0.206 399 Q C 0.509 176.521 176.000 0.020 0.000 0.947 399 Q CA 0.633 56.424 55.803 -0.021 0.000 0.937 399 Q CB 0.128 28.844 28.738 -0.037 0.000 1.025 399 Q HN 0.114 nan 8.270 nan 0.000 0.511 400 K N 0.132 120.573 120.400 0.069 0.000 3.306 400 K HA 0.164 4.484 4.320 0.000 0.000 0.169 400 K C 0.312 177.041 176.600 0.215 0.000 1.110 400 K CA -0.044 56.311 56.287 0.113 0.000 0.783 400 K CB 0.274 32.820 32.500 0.076 0.000 0.958 400 K HN -0.300 nan 8.250 nan 0.000 0.581 401 K N 0.095 120.613 120.400 0.197 0.000 2.160 401 K HA -0.140 4.180 4.320 0.000 0.000 0.206 401 K C 1.358 178.113 176.600 0.259 0.000 1.047 401 K CA 2.237 58.681 56.287 0.261 0.000 0.930 401 K CB -0.152 32.467 32.500 0.198 0.000 0.720 401 K HN 0.489 nan 8.250 nan 0.000 0.450 402 S N -0.879 114.940 115.700 0.200 0.000 2.383 402 S HA -0.240 4.230 4.470 0.000 0.000 0.229 402 S C 2.090 176.822 174.600 0.220 0.000 1.030 402 S CA 1.144 59.446 58.200 0.169 0.000 1.002 402 S CB -0.930 62.348 63.200 0.131 0.000 0.829 402 S HN 0.486 nan 8.310 nan 0.000 0.467 403 Y N 1.102 121.486 120.300 0.140 0.000 2.128 403 Y HA -0.261 4.289 4.550 0.000 0.000 0.284 403 Y C 2.469 178.503 175.900 0.224 0.000 1.154 403 Y CA 1.937 60.135 58.100 0.162 0.000 1.149 403 Y CB -0.653 37.915 38.460 0.181 0.000 0.976 403 Y HN 0.321 nan 8.280 nan 0.000 0.505 404 Y N 1.460 121.829 120.300 0.115 0.000 2.145 404 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 404 Y C 2.280 178.175 175.900 -0.009 0.000 1.145 404 Y CA 2.080 60.145 58.100 -0.058 0.000 1.148 404 Y CB -0.583 37.616 38.460 -0.434 0.000 0.981 404 Y HN 0.167 nan 8.280 nan 0.000 0.507 405 E N 0.293 120.416 120.200 -0.128 0.000 2.118 405 E HA -0.286 4.064 4.350 0.000 0.000 0.195 405 E C 2.363 178.885 176.600 -0.129 0.000 0.992 405 E CA 1.603 57.888 56.400 -0.193 0.000 0.804 405 E CB -0.637 29.049 29.700 -0.023 0.000 0.741 405 E HN 0.651 nan 8.360 nan 0.000 0.458 406 M N 0.447 120.024 119.600 -0.038 0.000 2.065 406 M HA -0.193 4.287 4.480 0.000 0.000 0.259 406 M C 2.201 178.525 176.300 0.040 0.000 1.069 406 M CA 1.510 56.824 55.300 0.024 0.000 1.110 406 M CB -0.107 32.553 32.600 0.100 0.000 1.328 406 M HN 0.060 nan 8.290 nan 0.000 0.405 407 L N -0.477 120.703 121.223 -0.072 0.000 2.056 407 L HA -0.185 4.155 4.340 0.000 0.000 0.207 407 L C 2.817 179.529 176.870 -0.263 0.000 1.078 407 L CA 1.415 56.142 54.840 -0.188 0.000 0.749 407 L CB -0.728 41.122 42.059 -0.348 0.000 0.901 407 L HN 0.398 nan 8.230 nan 0.000 0.433 408 R N 0.060 120.454 120.500 -0.176 0.000 2.073 408 R HA -0.108 4.232 4.340 0.000 0.000 0.229 408 R C 1.876 178.116 176.300 -0.100 0.000 1.120 408 R CA 1.614 57.658 56.100 -0.093 0.000 0.967 408 R CB 0.069 30.185 30.300 -0.307 0.000 0.862 408 R HN 0.416 nan 8.270 nan 0.000 0.436 409 N N -0.007 118.624 118.700 -0.115 0.000 2.436 409 N HA -0.015 4.725 4.740 0.000 0.000 0.178 409 N C 1.349 176.796 175.510 -0.104 0.000 1.026 409 N CA 0.753 53.751 53.050 -0.088 0.000 0.880 409 N CB 0.082 38.522 38.487 -0.078 0.000 1.061 409 N HN 0.168 nan 8.380 nan 0.000 0.434 410 K N 0.171 120.501 120.400 -0.117 0.000 2.021 410 K HA 0.109 4.429 4.320 0.000 0.000 0.205 410 K C 1.317 177.712 176.600 -0.342 0.000 1.047 410 K CA 1.013 57.161 56.287 -0.232 0.000 0.943 410 K CB -0.104 32.239 32.500 -0.262 0.000 0.725 410 K HN 0.026 nan 8.250 nan 0.000 0.439 411 F N 1.161 120.986 119.950 -0.208 0.000 2.743 411 F HA 0.123 4.650 4.527 -0.000 0.000 0.297 411 F C 0.069 175.756 175.800 -0.188 0.000 1.131 411 F CA 0.148 58.013 58.000 -0.226 0.000 1.426 411 F CB 0.023 38.864 39.000 -0.265 0.000 1.116 411 F HN -0.144 nan 8.300 nan 0.000 0.583 412 K N -0.042 120.328 120.400 -0.049 0.000 3.156 412 K HA -0.207 4.114 4.320 0.000 0.000 0.266 412 K C 0.913 177.433 176.600 -0.134 0.000 0.966 412 K CA 0.296 56.520 56.287 -0.105 0.000 0.719 412 K CB -1.742 30.708 32.500 -0.083 0.000 1.333 412 K HN 0.274 nan 8.250 nan 0.000 0.468 413 V N 0.009 119.777 119.914 -0.242 0.000 3.129 413 V HA 0.002 4.122 4.120 0.000 0.000 0.259 413 V C 0.457 176.415 176.094 -0.227 0.000 1.116 413 V CA 0.752 62.917 62.300 -0.225 0.000 1.127 413 V CB -0.082 31.515 31.823 -0.376 0.000 0.742 413 V HN 0.336 nan 8.190 nan 0.000 0.474 414 F N 0.005 119.826 119.950 -0.216 0.000 2.427 414 F HA 0.469 4.996 4.527 -0.000 0.000 0.352 414 F C -0.230 175.284 175.800 -0.476 0.000 1.100 414 F CA -0.281 57.434 58.000 -0.475 0.000 1.191 414 F CB 0.477 38.735 39.000 -1.238 0.000 1.128 414 F HN 0.009 nan 8.300 nan 0.000 0.533 415 Y N 1.915 122.298 120.300 0.139 0.000 2.536 415 Y HA 0.481 5.031 4.550 -0.000 0.000 0.347 415 Y C -0.194 175.945 175.900 0.397 0.000 1.000 415 Y CA -1.402 56.882 58.100 0.307 0.000 1.051 415 Y CB 2.059 40.672 38.460 0.254 0.000 1.259 415 Y HN 0.459 nan 8.280 nan 0.000 0.468 416 K N 0.046 120.730 120.400 0.474 0.000 2.349 416 K HA 0.589 4.909 4.320 0.000 0.000 0.243 416 K C -0.944 175.755 176.600 0.166 0.000 1.058 416 K CA -1.268 55.186 56.287 0.279 0.000 0.871 416 K CB 1.116 33.699 32.500 0.137 0.000 1.337 416 K HN 0.343 nan 8.250 nan 0.000 0.469 417 Q N 1.098 120.938 119.800 0.067 0.000 2.394 417 Q HA 0.050 4.390 4.340 0.000 0.000 0.248 417 Q C -0.746 175.280 176.000 0.044 0.000 0.992 417 Q CA 0.067 55.899 55.803 0.048 0.000 0.888 417 Q CB 0.563 29.290 28.738 -0.018 0.000 1.257 417 Q HN 0.601 nan 8.270 nan 0.000 0.462 418 D N 1.888 122.318 120.400 0.050 0.000 2.365 418 D HA 0.166 4.806 4.640 0.000 0.000 0.237 418 D C -1.817 174.486 176.300 0.005 0.000 1.190 418 D CA -2.148 51.876 54.000 0.039 0.000 0.867 418 D CB 1.056 41.886 40.800 0.049 0.000 1.050 418 D HN 0.087 nan 8.370 nan 0.000 0.491 419 P HA -0.122 nan 4.420 nan 0.000 0.218 419 P C 0.745 178.031 177.300 -0.022 0.000 1.146 419 P CA 1.140 64.223 63.100 -0.029 0.000 0.813 419 P CB 0.277 31.958 31.700 -0.032 0.000 0.778 420 A N -1.989 120.825 122.820 -0.010 0.000 2.169 420 A HA 0.065 4.385 4.320 0.000 0.000 0.212 420 A C 1.997 179.576 177.584 -0.009 0.000 1.153 420 A CA 0.715 52.747 52.037 -0.008 0.000 0.756 420 A CB -0.971 18.028 19.000 -0.001 0.000 0.813 420 A HN 0.159 nan 8.150 nan 0.000 0.471 421 M N 0.135 119.731 119.600 -0.007 0.000 2.461 421 M HA 0.144 4.624 4.480 0.000 0.000 0.255 421 M C 0.536 176.827 176.300 -0.016 0.000 1.137 421 M CA 0.259 55.554 55.300 -0.009 0.000 1.086 421 M CB 0.403 33.002 32.600 -0.001 0.000 1.356 421 M HN 0.246 nan 8.290 nan 0.000 0.487 422 V N 0.691 120.590 119.914 -0.025 0.000 2.924 422 V HA 0.314 4.434 4.120 0.000 0.000 0.305 422 V C 0.529 176.598 176.094 -0.042 0.000 1.073 422 V CA -0.595 61.682 62.300 -0.039 0.000 1.098 422 V CB 0.325 32.111 31.823 -0.061 0.000 1.000 422 V HN 0.448 nan 8.190 nan 0.000 0.484 423 T N 1.422 115.949 114.554 -0.046 0.000 2.813 423 T HA 0.244 4.594 4.350 0.000 0.000 0.297 423 T C 0.954 175.624 174.700 -0.051 0.000 1.036 423 T CA 0.143 62.219 62.100 -0.040 0.000 1.044 423 T CB 0.905 69.752 68.868 -0.036 0.000 0.993 423 T HN 0.874 nan 8.240 nan 0.000 0.535 424 R N 0.601 121.081 120.500 -0.034 0.000 2.093 424 R HA -0.039 4.301 4.340 0.000 0.000 0.224 424 R C 2.650 178.932 176.300 -0.031 0.000 1.101 424 R CA 1.068 57.149 56.100 -0.031 0.000 0.979 424 R CB -0.173 30.119 30.300 -0.012 0.000 0.877 424 R HN 0.880 nan 8.270 nan 0.000 0.441 425 R N -0.403 120.086 120.500 -0.017 0.000 2.148 425 R HA -0.070 4.270 4.340 0.000 0.000 0.227 425 R C 1.530 177.784 176.300 -0.076 0.000 1.103 425 R CA 1.282 57.390 56.100 0.014 0.000 0.983 425 R CB -0.134 30.201 30.300 0.059 0.000 0.874 425 R HN 0.117 nan 8.270 nan 0.000 0.451 426 R N 0.046 120.432 120.500 -0.189 0.000 2.316 426 R HA 0.197 4.537 4.340 0.000 0.000 0.201 426 R C 0.897 176.997 176.300 -0.332 0.000 0.888 426 R CA 0.358 56.200 56.100 -0.430 0.000 1.041 426 R CB 0.864 30.939 30.300 -0.376 0.000 1.115 426 R HN 0.388 nan 8.270 nan 0.000 0.559 427 G N 0.982 109.664 108.800 -0.196 0.000 2.602 427 G HA2 -0.414 3.546 3.960 0.000 0.000 0.306 427 G HA3 -0.414 3.546 3.960 0.000 0.000 0.306 427 G C 0.499 175.286 174.900 -0.189 0.000 1.301 427 G CA 0.826 45.825 45.100 -0.168 0.000 0.974 427 G HN 0.376 nan 8.290 nan 0.000 0.547 428 T N -1.947 112.479 114.554 -0.213 0.000 3.330 428 T HA 0.462 4.812 4.350 0.000 0.000 0.249 428 T C 0.744 175.244 174.700 -0.334 0.000 0.980 428 T CA 0.897 62.852 62.100 -0.243 0.000 0.920 428 T CB -0.329 68.387 68.868 -0.253 0.000 1.065 428 T HN 0.730 nan 8.240 nan 0.000 0.588 429 T N 6.027 120.396 114.554 -0.309 0.000 2.817 429 T HA 0.219 4.569 4.350 0.000 0.000 0.295 429 T C -2.018 172.521 174.700 -0.268 0.000 0.958 429 T CA -0.777 61.139 62.100 -0.307 0.000 1.157 429 T CB 0.597 69.290 68.868 -0.292 0.000 0.898 429 T HN 0.380 nan 8.240 nan 0.000 0.536 430 P HA 0.329 nan 4.420 nan 0.000 0.271 430 P C -1.053 176.278 177.300 0.051 0.000 1.233 430 P CA -0.568 62.318 63.100 -0.357 0.000 0.789 430 P CB 0.655 31.720 31.700 -1.058 0.000 0.951 431 A N 0.706 123.672 122.820 0.245 0.000 2.324 431 A HA 0.286 4.606 4.320 0.000 0.000 0.330 431 A C 0.637 178.574 177.584 0.588 0.000 1.165 431 A CA -0.499 51.779 52.037 0.403 0.000 0.813 431 A CB 0.218 19.436 19.000 0.363 0.000 1.197 431 A HN 0.798 nan 8.150 nan 0.000 0.484 432 H N 1.899 121.176 119.070 0.345 0.000 2.529 432 H HA 0.145 4.701 4.556 0.000 0.000 0.277 432 H C 0.471 175.906 175.328 0.177 0.000 1.004 432 H CA 0.722 56.873 56.048 0.173 0.000 1.167 432 H CB 0.236 29.998 29.762 0.001 0.000 1.445 432 H HN 0.732 nan 8.280 nan 0.000 0.554 433 S N 0.567 116.429 115.700 0.270 0.000 2.624 433 S HA 0.383 4.853 4.470 0.000 0.000 0.263 433 S C -0.344 174.352 174.600 0.159 0.000 1.287 433 S CA -0.766 57.591 58.200 0.262 0.000 0.990 433 S CB 1.958 65.484 63.200 0.544 0.000 0.950 433 S HN 0.171 nan 8.310 nan 0.000 0.561 434 K N 0.540 120.935 120.400 -0.008 0.000 2.463 434 K HA 0.617 4.937 4.320 0.000 0.000 0.255 434 K C -1.706 174.839 176.600 -0.092 0.000 0.942 434 K CA -0.017 56.257 56.287 -0.022 0.000 0.814 434 K CB 1.192 33.682 32.500 -0.016 0.000 1.122 434 K HN 0.576 nan 8.250 nan 0.000 0.425 435 F N 2.065 122.036 119.950 0.035 0.000 2.551 435 F HA 0.485 5.013 4.527 0.000 0.000 0.316 435 F C -0.805 174.893 175.800 -0.171 0.000 1.089 435 F CA -0.671 57.404 58.000 0.126 0.000 0.915 435 F CB 1.516 40.641 39.000 0.209 0.000 1.186 435 F HN 0.341 nan 8.300 nan 0.000 0.456 436 Y N 3.960 124.491 120.300 0.384 0.000 2.346 436 Y HA 0.680 5.230 4.550 0.000 0.000 0.332 436 Y C -0.175 175.949 175.900 0.373 0.000 0.985 436 Y CA -1.111 57.209 58.100 0.365 0.000 1.112 436 Y CB 1.916 40.697 38.460 0.535 0.000 1.170 436 Y HN 0.523 nan 8.280 nan 0.000 0.447 437 M N 1.540 121.248 119.600 0.179 0.000 2.569 437 M HA 0.696 5.176 4.480 0.000 0.000 0.279 437 M C -2.075 173.918 176.300 -0.511 0.000 1.253 437 M CA -0.892 54.238 55.300 -0.284 0.000 0.867 437 M CB 3.180 35.692 32.600 -0.147 0.000 1.727 437 M HN 0.670 nan 8.290 nan 0.000 0.467 438 H N 0.378 118.801 119.070 -1.078 0.000 2.667 438 H HA 0.745 5.301 4.556 0.000 0.000 0.353 438 H C -2.137 172.842 175.328 -0.582 0.000 1.072 438 H CA -0.850 54.599 56.048 -0.999 0.000 1.214 438 H CB 2.010 30.878 29.762 -1.490 0.000 1.600 438 H HN 1.026 nan 8.280 nan 0.000 0.527 439 C N 4.852 123.702 119.300 -0.750 0.000 2.563 439 C HA 0.941 5.401 4.460 0.000 0.000 0.314 439 C C -0.835 173.807 174.990 -0.581 0.000 1.199 439 C CA 0.102 58.747 59.018 -0.622 0.000 1.564 439 C CB -0.128 27.309 27.740 -0.505 0.000 2.173 439 C HN 0.998 nan 8.230 nan 0.000 0.485 440 A N 4.113 126.666 122.820 -0.444 0.000 2.330 440 A HA 0.904 5.224 4.320 0.000 0.000 0.313 440 A C -0.021 177.496 177.584 -0.112 0.000 1.124 440 A CA -0.065 51.839 52.037 -0.221 0.000 0.774 440 A CB 1.217 20.096 19.000 -0.203 0.000 1.198 440 A HN 1.246 nan 8.150 nan 0.000 0.465 452 V N 3.208 122.948 119.914 -0.290 0.000 2.617 452 V HA 0.049 4.169 4.120 0.000 0.000 0.304 452 V C 1.062 176.838 176.094 -0.529 0.000 1.040 452 V CA 1.415 63.346 62.300 -0.615 0.000 1.149 452 V CB -0.713 30.549 31.823 -0.935 0.000 0.914 452 V HN 0.499 nan 8.190 nan 0.000 0.487 453 F N 0.799 120.550 119.950 -0.331 0.000 2.411 453 F HA -0.252 4.275 4.527 0.000 0.000 0.393 453 F C 1.550 177.201 175.800 -0.248 0.000 0.576 453 F CA 0.864 58.681 58.000 -0.305 0.000 1.609 453 F CB -1.221 37.598 39.000 -0.301 0.000 2.186 453 F HN 0.453 nan 8.300 nan 0.000 0.274 454 K N 0.737 121.083 120.400 -0.090 0.000 2.155 454 K HA 0.038 4.358 4.320 0.000 0.000 0.203 454 K C 0.290 176.832 176.600 -0.096 0.000 1.052 454 K CA 1.312 57.540 56.287 -0.099 0.000 0.948 454 K CB 0.061 32.501 32.500 -0.101 0.000 0.728 454 K HN 0.333 nan 8.250 nan 0.000 0.448 455 E N 0.218 120.350 120.200 -0.114 0.000 2.199 455 E HA 0.353 4.703 4.350 0.000 0.000 0.265 455 E C -0.971 175.543 176.600 -0.144 0.000 0.882 455 E CA -0.436 55.902 56.400 -0.104 0.000 0.759 455 E CB 1.769 31.409 29.700 -0.099 0.000 1.148 455 E HN -0.024 nan 8.360 nan 0.000 0.412 456 L N 1.954 123.098 121.223 -0.133 0.000 2.354 456 L HA 0.344 4.684 4.340 0.000 0.000 0.264 456 L C 1.150 177.901 176.870 -0.198 0.000 1.008 456 L CA -0.846 53.879 54.840 -0.192 0.000 0.819 456 L CB 1.662 43.628 42.059 -0.156 0.000 1.339 456 L HN 0.437 nan 8.230 nan 0.000 0.420 457 E N 1.226 121.239 120.200 -0.311 0.000 2.051 457 E HA 0.005 4.355 4.350 0.000 0.000 0.189 457 E C -0.475 176.028 176.600 -0.163 0.000 0.979 457 E CA 1.096 57.358 56.400 -0.229 0.000 0.803 457 E CB 0.348 29.911 29.700 -0.227 0.000 0.761 457 E HN 0.585 nan 8.360 nan 0.000 0.451 458 W N -1.329 119.864 121.300 -0.179 0.000 3.146 458 W HA 0.533 5.193 4.660 0.000 0.000 0.319 458 W C -1.226 175.356 176.519 0.105 0.000 1.258 458 W CA -1.144 56.140 57.345 -0.100 0.000 1.189 458 W CB 0.624 29.964 29.460 -0.199 0.000 1.412 458 W HN -0.109 nan 8.180 nan 0.000 0.567 459 C N 4.011 123.670 119.300 0.598 0.000 2.642 459 C HA 0.693 5.153 4.460 0.000 0.000 0.344 459 C C -1.296 174.118 174.990 0.708 0.000 1.110 459 C CA -0.339 58.999 59.018 0.534 0.000 1.298 459 C CB 0.639 28.533 27.740 0.256 0.000 1.827 459 C HN 0.618 nan 8.230 nan 0.000 0.467 460 L N 6.548 128.225 121.223 0.757 0.000 2.313 460 L HA 0.656 4.996 4.340 0.000 0.000 0.283 460 L C -1.235 175.926 176.870 0.484 0.000 1.013 460 L CA -0.158 55.024 54.840 0.570 0.000 0.816 460 L CB 1.257 43.579 42.059 0.438 0.000 1.236 460 L HN 0.748 nan 8.230 nan 0.000 0.419 461 Y N 4.626 125.042 120.300 0.194 0.000 2.331 461 Y HA 0.727 5.277 4.550 0.000 0.000 0.338 461 Y C -0.416 175.416 175.900 -0.114 0.000 0.992 461 Y CA -0.145 57.897 58.100 -0.096 0.000 1.121 461 Y CB 1.398 39.909 38.460 0.085 0.000 1.184 461 Y HN 0.824 nan 8.280 nan 0.000 0.469 462 T N 2.063 116.207 114.554 -0.683 0.000 2.762 462 T HA 0.303 4.653 4.350 0.000 0.000 0.301 462 T C 0.350 174.719 174.700 -0.552 0.000 1.299 462 T CA 0.029 61.764 62.100 -0.609 0.000 1.005 462 T CB 0.782 69.420 68.868 -0.383 0.000 1.377 462 T HN 0.608 nan 8.240 nan 0.000 0.504 463 S N 0.649 116.088 115.700 -0.436 0.000 2.501 463 S HA 0.390 4.860 4.470 0.000 0.000 0.220 463 S C 1.099 175.639 174.600 -0.101 0.000 0.997 463 S CA 0.313 58.332 58.200 -0.302 0.000 0.919 463 S CB -0.305 62.694 63.200 -0.334 0.000 0.778 463 S HN 1.049 nan 8.310 nan 0.000 0.523 464 A N 2.937 125.623 122.820 -0.224 0.000 2.484 464 A HA 0.313 4.633 4.320 0.000 0.000 0.268 464 A C 0.441 178.046 177.584 0.034 0.000 1.114 464 A CA -0.418 51.458 52.037 -0.268 0.000 0.780 464 A CB -0.184 18.308 19.000 -0.848 0.000 1.061 464 A HN 0.452 nan 8.150 nan 0.000 0.505 465 N N 0.765 119.472 118.700 0.012 0.000 2.381 465 N HA 0.128 4.868 4.740 0.000 0.000 0.254 465 N C -0.223 175.489 175.510 0.337 0.000 1.264 465 N CA -0.392 52.739 53.050 0.136 0.000 0.942 465 N CB 0.763 39.261 38.487 0.018 0.000 1.190 465 N HN 0.585 nan 8.380 nan 0.000 0.495 466 L N 1.609 123.017 121.223 0.307 0.000 2.384 466 L HA 0.124 4.464 4.340 0.000 0.000 0.258 466 L C -0.239 176.780 176.870 0.248 0.000 1.266 466 L CA 0.265 55.302 54.840 0.329 0.000 1.162 466 L CB -1.178 40.955 42.059 0.124 0.000 1.375 466 L HN 0.498 nan 8.230 nan 0.000 0.420 467 S N 0.868 116.754 115.700 0.311 0.000 2.579 467 S HA 0.274 4.744 4.470 0.000 0.000 0.272 467 S C 0.416 175.155 174.600 0.233 0.000 1.141 467 S CA -0.560 57.765 58.200 0.208 0.000 0.843 467 S CB 1.399 64.667 63.200 0.113 0.000 1.122 467 S HN 0.506 nan 8.310 nan 0.000 0.468 468 Q N 0.815 120.714 119.800 0.166 0.000 2.167 468 Q HA -0.115 4.226 4.340 0.000 0.000 0.202 468 Q C 1.838 177.899 176.000 0.102 0.000 0.970 468 Q CA 2.231 58.119 55.803 0.142 0.000 0.855 468 Q CB -0.588 28.212 28.738 0.103 0.000 0.911 468 Q HN 0.998 nan 8.270 nan 0.000 0.438 469 T N -2.396 112.194 114.554 0.059 0.000 2.867 469 T HA 0.021 4.371 4.350 0.000 0.000 0.268 469 T C 1.760 176.400 174.700 -0.101 0.000 1.057 469 T CA 0.969 63.051 62.100 -0.029 0.000 1.136 469 T CB -0.232 68.556 68.868 -0.135 0.000 0.874 469 T HN 0.314 nan 8.240 nan 0.000 0.466 470 A N 0.133 122.889 122.820 -0.108 0.000 1.903 470 A HA 0.251 4.571 4.320 0.000 0.000 0.213 470 A C 1.931 179.332 177.584 -0.305 0.000 1.185 470 A CA 0.631 52.515 52.037 -0.255 0.000 0.628 470 A CB -0.878 17.932 19.000 -0.317 0.000 0.830 470 A HN 0.705 nan 8.150 nan 0.000 0.446 471 W N -1.051 120.198 121.300 -0.086 0.000 2.808 471 W HA 0.411 5.071 4.660 -0.000 0.000 0.266 471 W C 1.472 177.957 176.519 -0.056 0.000 1.247 471 W CA 0.928 58.224 57.345 -0.081 0.000 1.440 471 W CB 0.038 29.463 29.460 -0.057 0.000 1.040 471 W HN 0.643 nan 8.180 nan 0.000 0.606 472 G N 0.696 109.602 108.800 0.177 0.000 2.693 472 G HA2 -0.078 3.882 3.960 0.000 0.000 0.226 472 G HA3 -0.078 3.882 3.960 0.000 0.000 0.226 472 G C 0.106 175.071 174.900 0.108 0.000 1.354 472 G CA 0.096 45.257 45.100 0.101 0.000 0.873 472 G HN 0.310 nan 8.290 nan 0.000 0.562 473 T N -4.907 109.680 114.554 0.055 0.000 2.573 473 T HA 0.662 5.012 4.350 0.000 0.000 0.259 473 T C 1.355 176.052 174.700 -0.005 0.000 0.886 473 T CA 0.794 62.905 62.100 0.019 0.000 1.110 473 T CB 1.070 69.939 68.868 0.002 0.000 1.421 473 T HN 1.267 nan 8.240 nan 0.000 0.523 474 V N 1.654 121.543 119.914 -0.042 0.000 2.548 474 V HA -0.040 4.080 4.120 0.000 0.000 0.249 474 V C 2.874 178.949 176.094 -0.033 0.000 1.055 474 V CA 2.228 64.492 62.300 -0.060 0.000 1.065 474 V CB -0.734 31.028 31.823 -0.100 0.000 0.681 474 V HN 1.003 nan 8.190 nan 0.000 0.462 475 S N -0.928 114.757 115.700 -0.025 0.000 2.499 475 S HA 0.196 4.666 4.470 0.000 0.000 0.225 475 S C 1.011 175.606 174.600 -0.009 0.000 1.050 475 S CA -0.340 57.849 58.200 -0.017 0.000 0.928 475 S CB 0.173 63.362 63.200 -0.019 0.000 0.803 475 S HN 0.407 nan 8.310 nan 0.000 0.506 476 R N 2.063 122.562 120.500 -0.001 0.000 2.404 476 R HA 0.566 4.906 4.340 0.000 0.000 0.291 476 R C -0.317 175.990 176.300 0.011 0.000 1.025 476 R CA -0.223 55.880 56.100 0.005 0.000 0.991 476 R CB 0.689 30.996 30.300 0.012 0.000 1.053 476 R HN 0.267 nan 8.270 nan 0.000 0.479 477 K N 2.779 123.181 120.400 0.003 0.000 2.090 477 K HA 0.360 4.680 4.320 0.000 0.000 0.250 477 K C -2.165 174.430 176.600 -0.008 0.000 1.004 477 K CA -1.741 54.546 56.287 -0.001 0.000 0.919 477 K CB 0.593 33.086 32.500 -0.012 0.000 1.045 477 K HN 0.337 nan 8.250 nan 0.000 0.471 478 P HA 0.108 nan 4.420 nan 0.000 0.270 478 P C -0.200 177.046 177.300 -0.089 0.000 1.223 478 P CA -0.039 63.023 63.100 -0.062 0.000 0.785 478 P CB 0.612 32.246 31.700 -0.110 0.000 0.923 479 R N 0.118 120.558 120.500 -0.100 0.000 2.307 479 R HA 0.186 4.526 4.340 0.000 0.000 0.200 479 R C 0.097 176.305 176.300 -0.153 0.000 0.893 479 R CA 0.146 56.187 56.100 -0.099 0.000 1.042 479 R CB 0.056 30.324 30.300 -0.053 0.000 1.059 479 R HN 0.487 nan 8.270 nan 0.000 0.530 480 N N -0.025 118.564 118.700 -0.186 0.000 2.485 480 N HA 0.182 4.922 4.740 0.000 0.000 0.280 480 N C -1.086 174.297 175.510 -0.212 0.000 1.205 480 N CA -0.301 52.647 53.050 -0.170 0.000 0.959 480 N CB 0.574 38.941 38.487 -0.201 0.000 1.206 480 N HN -0.076 nan 8.380 nan 0.000 0.545 481 Y N 0.275 120.527 120.300 -0.080 0.000 2.326 481 Y HA 0.324 4.874 4.550 0.000 0.000 0.337 481 Y C 0.448 176.285 175.900 -0.105 0.000 1.023 481 Y CA -0.052 58.022 58.100 -0.044 0.000 1.143 481 Y CB 1.070 39.484 38.460 -0.077 0.000 1.183 481 Y HN 0.196 nan 8.280 nan 0.000 0.485 482 E N 1.742 121.944 120.200 0.003 0.000 2.408 482 E HA 0.833 5.183 4.350 0.000 0.000 0.275 482 E C -1.441 174.944 176.600 -0.359 0.000 0.935 482 E CA -1.135 55.140 56.400 -0.209 0.000 0.775 482 E CB 2.517 31.992 29.700 -0.375 0.000 1.277 482 E HN 0.555 nan 8.360 nan 0.000 0.455 483 A N 0.201 122.736 122.820 -0.474 0.000 2.547 483 A HA 0.846 5.166 4.320 0.000 0.000 0.297 483 A C -0.582 176.619 177.584 -0.639 0.000 1.056 483 A CA -0.002 51.617 52.037 -0.697 0.000 0.688 483 A CB 2.113 20.726 19.000 -0.644 0.000 1.282 483 A HN 0.619 nan 8.150 nan 0.000 0.400 484 G N -1.026 107.301 108.800 -0.789 0.000 2.645 484 G HA2 0.702 4.662 3.960 0.000 0.000 0.292 484 G HA3 0.702 4.662 3.960 0.000 0.000 0.292 484 G C -1.758 172.831 174.900 -0.518 0.000 1.415 484 G CA 0.053 44.812 45.100 -0.569 0.000 0.785 484 G HN 1.893 nan 8.290 nan 0.000 0.483 485 V N 0.015 119.758 119.914 -0.285 0.000 2.588 485 V HA 0.782 4.902 4.120 0.000 0.000 0.304 485 V C -1.283 174.864 176.094 0.089 0.000 1.042 485 V CA -0.874 61.314 62.300 -0.186 0.000 0.877 485 V CB 1.433 32.949 31.823 -0.512 0.000 0.996 485 V HN 0.921 nan 8.190 nan 0.000 0.425 486 L N 7.594 128.891 121.223 0.124 0.000 2.296 486 L HA 0.648 4.988 4.340 0.000 0.000 0.286 486 L C -1.526 175.530 176.870 0.311 0.000 1.023 486 L CA -0.039 54.984 54.840 0.304 0.000 0.812 486 L CB 1.447 43.667 42.059 0.269 0.000 1.223 486 L HN 0.665 nan 8.230 nan 0.000 0.421 487 Y N 4.667 125.167 120.300 0.334 0.000 2.331 487 Y HA 0.481 5.031 4.550 0.000 0.000 0.338 487 Y C -0.209 175.872 175.900 0.302 0.000 0.976 487 Y CA -0.287 57.988 58.100 0.292 0.000 1.137 487 Y CB 0.797 39.419 38.460 0.269 0.000 1.172 487 Y HN 0.540 nan 8.280 nan 0.000 0.478 488 H N 1.631 120.857 119.070 0.259 0.000 2.589 488 H HA 0.268 4.824 4.556 0.000 0.000 0.351 488 H C 0.492 175.901 175.328 0.135 0.000 1.074 488 H CA -0.320 55.861 56.048 0.222 0.000 1.203 488 H CB 2.177 32.019 29.762 0.133 0.000 1.558 488 H HN 0.675 nan 8.280 nan 0.000 0.522 489 S N 3.368 119.167 115.700 0.164 0.000 2.380 489 S HA -0.157 4.313 4.470 0.000 0.000 0.229 489 S C 1.654 176.392 174.600 0.230 0.000 1.043 489 S CA 1.296 59.586 58.200 0.149 0.000 1.038 489 S CB 0.038 63.266 63.200 0.046 0.000 0.872 489 S HN 0.626 nan 8.310 nan 0.000 0.456 490 R N 0.379 121.125 120.500 0.409 0.000 2.328 490 R HA 0.197 4.537 4.340 0.000 0.000 0.200 490 R C 1.589 177.946 176.300 0.095 0.000 0.983 490 R CA 0.206 56.418 56.100 0.187 0.000 1.062 490 R CB 0.061 30.434 30.300 0.123 0.000 0.956 490 R HN 0.234 nan 8.270 nan 0.000 0.479 491 R N -0.171 120.409 120.500 0.133 0.000 2.344 491 R HA 0.242 4.582 4.340 0.000 0.000 0.209 491 R C 0.667 177.016 176.300 0.083 0.000 0.886 491 R CA 0.014 56.159 56.100 0.075 0.000 1.040 491 R CB 0.500 30.843 30.300 0.071 0.000 1.114 491 R HN 0.083 nan 8.270 nan 0.000 0.547 496 R N 0.278 120.813 120.500 0.058 0.000 3.606 496 R HA -0.126 4.214 4.340 0.000 0.000 0.439 496 R C -0.686 175.631 176.300 0.028 0.000 0.585 496 R CA 1.892 58.019 56.100 0.045 0.000 1.521 496 R CB -0.996 29.325 30.300 0.035 0.000 2.112 496 R HN 0.482 nan 8.270 nan 0.000 0.375 497 K N 0.022 120.435 120.400 0.021 0.000 2.468 497 K HA 0.480 4.800 4.320 0.000 0.000 0.252 497 K C -0.907 175.678 176.600 -0.025 0.000 0.932 497 K CA -0.636 55.646 56.287 -0.009 0.000 0.794 497 K CB 2.298 34.789 32.500 -0.015 0.000 1.241 497 K HN -0.041 nan 8.250 nan 0.000 0.428 498 V N 2.822 122.696 119.914 -0.068 0.000 2.455 498 V HA 0.138 4.258 4.120 0.000 0.000 0.273 498 V C 0.631 176.742 176.094 0.027 0.000 1.045 498 V CA -0.358 61.873 62.300 -0.116 0.000 0.976 498 V CB 0.648 32.438 31.823 -0.055 0.000 0.993 498 V HN 0.867 nan 8.190 nan 0.000 0.475 499 T N 2.125 116.845 114.554 0.277 0.000 2.889 499 T HA 0.542 4.893 4.350 0.000 0.000 0.291 499 T C -0.366 174.324 174.700 -0.016 0.000 0.995 499 T CA -0.659 61.513 62.100 0.121 0.000 1.092 499 T CB 1.342 70.278 68.868 0.113 0.000 0.954 499 T HN 0.742 nan 8.240 nan 0.000 0.506 500 C N 4.074 123.299 119.300 -0.125 0.000 2.783 500 C HA 0.871 5.331 4.460 0.000 0.000 0.312 500 C C -0.569 174.256 174.990 -0.276 0.000 1.182 500 C CA -0.745 58.120 59.018 -0.254 0.000 1.432 500 C CB 0.970 28.538 27.740 -0.286 0.000 1.933 500 C HN 1.352 nan 8.230 nan 0.000 0.473 501 R N 2.259 122.530 120.500 -0.381 0.000 2.855 501 R HA 0.788 5.128 4.340 0.000 0.000 0.266 501 R C -1.063 174.933 176.300 -0.507 0.000 1.034 501 R CA -0.363 55.521 56.100 -0.359 0.000 0.944 501 R CB 1.505 31.630 30.300 -0.293 0.000 1.219 501 R HN 0.595 nan 8.270 nan 0.000 0.474 502 T N 0.322 114.638 114.554 -0.398 0.000 2.795 502 T HA 0.322 4.672 4.350 0.000 0.000 0.282 502 T C 0.398 174.924 174.700 -0.290 0.000 0.980 502 T CA -0.735 61.118 62.100 -0.411 0.000 1.012 502 T CB 0.354 69.065 68.868 -0.261 0.000 0.936 502 T HN 0.493 nan 8.240 nan 0.000 0.457 503 F N 2.179 122.003 119.950 -0.209 0.000 2.333 503 F HA -0.055 4.472 4.527 -0.000 0.000 0.300 503 F C 2.880 178.621 175.800 -0.098 0.000 1.083 503 F CA 1.171 59.093 58.000 -0.129 0.000 1.395 503 F CB -0.154 38.783 39.000 -0.104 0.000 1.056 503 F HN 0.727 nan 8.300 nan 0.000 0.529 504 T N -1.980 112.612 114.554 0.063 0.000 3.077 504 T HA -0.134 4.216 4.350 0.000 0.000 0.269 504 T C 1.583 176.285 174.700 0.003 0.000 1.146 504 T CA 0.852 62.964 62.100 0.021 0.000 1.091 504 T CB -0.293 68.570 68.868 -0.009 0.000 0.892 504 T HN 0.309 nan 8.240 nan 0.000 0.533 505 R N 0.246 120.741 120.500 -0.008 0.000 2.437 505 R HA 0.266 4.606 4.340 0.000 0.000 0.257 505 R C -0.182 176.115 176.300 -0.005 0.000 0.927 505 R CA -0.391 55.698 56.100 -0.018 0.000 1.078 505 R CB 0.325 30.599 30.300 -0.044 0.000 1.161 505 R HN 0.352 nan 8.270 nan 0.000 0.529 515 T N -2.908 111.560 114.554 -0.143 0.000 2.907 515 T HA 0.464 4.814 4.350 0.000 0.000 0.290 515 T C 0.809 175.414 174.700 -0.159 0.000 1.066 515 T CA -0.510 61.483 62.100 -0.178 0.000 1.012 515 T CB 1.425 70.195 68.868 -0.163 0.000 1.184 515 T HN 0.274 nan 8.240 nan 0.000 0.522 516 H N -0.565 118.485 119.070 -0.032 0.000 2.357 516 H HA 0.286 4.842 4.556 0.000 0.000 0.301 516 H C 0.652 175.912 175.328 -0.113 0.000 1.082 516 H CA 1.433 57.495 56.048 0.023 0.000 1.342 516 H CB 0.079 29.873 29.762 0.053 0.000 1.389 516 H HN 0.281 nan 8.280 nan 0.000 0.511 517 V N -0.156 119.625 119.914 -0.222 0.000 2.769 517 V HA 0.733 4.853 4.120 0.000 0.000 0.312 517 V C -0.490 175.184 176.094 -0.700 0.000 1.061 517 V CA -0.827 61.061 62.300 -0.687 0.000 0.931 517 V CB 1.911 33.271 31.823 -0.772 0.000 1.010 517 V HN 0.346 nan 8.190 nan 0.000 0.433 518 A N 3.035 125.273 122.820 -0.970 0.000 2.374 518 A HA 0.906 5.226 4.320 0.000 0.000 0.305 518 A C -0.800 176.110 177.584 -1.122 0.000 1.053 518 A CA -0.575 50.827 52.037 -1.060 0.000 0.726 518 A CB 1.858 20.086 19.000 -1.286 0.000 1.229 518 A HN 1.452 nan 8.150 nan 0.000 0.431 519 V N 0.496 119.724 119.914 -1.144 0.000 2.815 519 V HA 0.751 4.871 4.120 0.000 0.000 0.314 519 V C -2.135 173.612 176.094 -0.578 0.000 1.064 519 V CA -1.869 59.754 62.300 -1.128 0.000 0.952 519 V CB 1.828 32.441 31.823 -2.017 0.000 1.020 519 V HN 0.636 nan 8.190 nan 0.000 0.439 520 P HA 0.034 nan 4.420 nan 0.000 0.224 520 P C 0.538 177.828 177.300 -0.017 0.000 1.157 520 P CA 0.634 63.791 63.100 0.095 0.000 0.799 520 P CB -0.034 31.801 31.700 0.225 0.000 0.809 521 F N 1.177 121.101 119.950 -0.043 0.000 2.406 521 F HA 0.447 4.974 4.527 0.000 0.000 0.327 521 F C 1.042 176.786 175.800 -0.093 0.000 1.153 521 F CA -1.211 56.747 58.000 -0.069 0.000 1.218 521 F CB -1.192 37.755 39.000 -0.089 0.000 1.215 521 F HN -0.259 nan 8.300 nan 0.000 0.570 522 T N 0.437 115.087 114.554 0.159 0.000 2.900 522 T HA 0.474 4.824 4.350 0.000 0.000 0.307 522 T C -0.527 174.233 174.700 0.100 0.000 1.065 522 T CA -0.704 61.436 62.100 0.066 0.000 1.105 522 T CB 0.725 69.630 68.868 0.061 0.000 0.979 522 T HN 0.667 nan 8.240 nan 0.000 0.544 523 L N 3.631 124.865 121.223 0.019 0.000 2.406 523 L HA 0.433 4.773 4.340 0.000 0.000 0.270 523 L C -2.073 174.813 176.870 0.027 0.000 0.982 523 L CA -2.280 52.579 54.840 0.032 0.000 0.843 523 L CB 2.394 44.422 42.059 -0.051 0.000 1.225 523 L HN 0.609 nan 8.230 nan 0.000 0.412 524 P HA 0.233 nan 4.420 nan 0.000 0.277 524 P C -0.670 176.720 177.300 0.151 0.000 1.271 524 P CA -0.344 62.829 63.100 0.121 0.000 0.795 524 P CB 1.554 33.324 31.700 0.117 0.000 1.101 525 V N -2.111 117.924 119.914 0.200 0.000 2.834 525 V HA 0.562 4.682 4.120 0.000 0.000 0.313 525 V C 0.267 176.569 176.094 0.347 0.000 1.060 525 V CA -0.996 61.444 62.300 0.234 0.000 0.989 525 V CB 0.898 32.833 31.823 0.186 0.000 1.041 525 V HN 0.291 nan 8.190 nan 0.000 0.459 526 I N 3.457 124.226 120.570 0.331 0.000 2.412 526 I HA 0.453 4.623 4.170 0.000 0.000 0.296 526 I C -2.274 174.016 176.117 0.288 0.000 0.987 526 I CA -2.264 59.215 61.300 0.299 0.000 1.180 526 I CB 2.396 40.492 38.000 0.161 0.000 1.340 526 I HN 0.515 nan 8.210 nan 0.000 0.455 527 P HA -0.026 nan 4.420 nan 0.000 0.271 527 P C -1.001 176.296 177.300 -0.005 0.000 1.218 527 P CA -0.052 62.834 63.100 -0.357 0.000 0.780 527 P CB 0.419 31.912 31.700 -0.345 0.000 0.901 528 Y N 0.979 121.162 120.300 -0.195 0.000 2.712 528 Y HA -0.040 4.510 4.550 0.000 0.000 0.333 528 Y C 1.457 177.335 175.900 -0.037 0.000 1.225 528 Y CA 0.304 58.382 58.100 -0.037 0.000 1.499 528 Y CB -0.351 38.138 38.460 0.049 0.000 1.288 528 Y HN 0.353 nan 8.280 nan 0.000 0.575 529 D N 4.368 124.812 120.400 0.074 0.000 2.352 529 D HA 0.032 4.672 4.640 0.000 0.000 0.245 529 D C 0.779 177.118 176.300 0.065 0.000 1.224 529 D CA 0.113 54.138 54.000 0.041 0.000 0.879 529 D CB 0.455 41.257 40.800 0.004 0.000 1.057 529 D HN 0.639 nan 8.370 nan 0.000 0.491 530 L N 3.029 124.292 121.223 0.066 0.000 2.551 530 L HA -0.135 4.205 4.340 0.000 0.000 0.230 530 L C 2.114 179.014 176.870 0.051 0.000 1.163 530 L CA 0.734 55.614 54.840 0.067 0.000 0.826 530 L CB -0.276 41.805 42.059 0.035 0.000 0.943 530 L HN 0.410 nan 8.230 nan 0.000 0.452 531 A N -0.648 122.196 122.820 0.039 0.000 2.081 531 A HA -0.029 4.291 4.320 0.000 0.000 0.214 531 A C 1.892 179.499 177.584 0.038 0.000 1.158 531 A CA 0.850 52.907 52.037 0.033 0.000 0.724 531 A CB 0.133 19.146 19.000 0.023 0.000 0.826 531 A HN 0.462 nan 8.150 nan 0.000 0.463 532 E N -1.117 119.105 120.200 0.036 0.000 2.640 532 E HA 0.033 4.383 4.350 0.000 0.000 0.197 532 E C -0.915 175.701 176.600 0.027 0.000 0.925 532 E CA -0.356 56.065 56.400 0.034 0.000 1.604 532 E CB 0.360 30.070 29.700 0.018 0.000 1.769 532 E HN 0.335 nan 8.360 nan 0.000 0.965 533 D N 2.067 122.462 120.400 -0.010 0.000 2.424 533 D HA 0.221 4.861 4.640 0.000 0.000 0.244 533 D C -0.232 176.097 176.300 0.049 0.000 1.134 533 D CA 0.858 54.788 54.000 -0.115 0.000 0.881 533 D CB 1.158 41.716 40.800 -0.403 0.000 1.191 533 D HN -0.072 nan 8.370 nan 0.000 0.445 534 E N 0.312 120.550 120.200 0.064 0.000 2.314 534 E HA 0.301 4.651 4.350 0.000 0.000 0.272 534 E C -1.231 175.581 176.600 0.353 0.000 0.884 534 E CA -0.598 55.978 56.400 0.294 0.000 0.753 534 E CB 1.304 31.150 29.700 0.243 0.000 1.213 534 E HN 0.345 nan 8.360 nan 0.000 0.432 535 C N 3.456 123.040 119.300 0.474 0.000 2.653 535 C HA 0.189 4.649 4.460 0.000 0.000 0.421 535 C C 0.443 175.774 174.990 0.568 0.000 1.334 535 C CA -0.446 58.904 59.018 0.552 0.000 1.885 535 C CB -1.059 26.912 27.740 0.386 0.000 2.645 535 C HN 0.676 nan 8.230 nan 0.000 0.601 536 F N 3.510 123.809 119.950 0.582 0.000 2.578 536 F HA 0.286 4.813 4.527 0.000 0.000 0.381 536 F C 0.429 176.504 175.800 0.457 0.000 1.069 536 F CA -0.232 58.065 58.000 0.493 0.000 1.231 536 F CB 0.186 39.534 39.000 0.580 0.000 1.086 536 F HN 0.634 nan 8.300 nan 0.000 0.564 537 C N 9.645 128.533 119.300 -0.687 0.000 2.291 537 C HA 0.504 4.964 4.460 0.000 0.000 0.322 537 C C 0.030 174.434 174.990 -0.977 0.000 1.205 537 C CA -1.101 57.485 59.018 -0.721 0.000 1.495 537 C CB -1.096 26.170 27.740 -0.789 0.000 2.127 537 C HN 0.971 nan 8.230 nan 0.000 0.452 538 L N 0.000 120.776 121.223 -0.746 0.000 2.949 538 L HA 0.000 4.340 4.340 0.000 0.000 0.249 538 L CA 0.000 54.609 54.840 -0.384 0.000 0.813 538 L CB 0.000 42.063 42.059 0.006 0.000 0.961 538 L HN 0.000 nan 8.230 nan 0.000 0.502