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 3l76_1_A DATA FIRST_RESID 2 DATA SEQUENCE ALIVQKFGGT SVGTVERIQA VAQRIKRTVQ GGNSLVVVVS AMGKSTDVLV DATA SEQUENCE DLAQQISPNP CRREMDMLLS TGEQVSIALL SLALQEIDQP AISLTGAQVG DATA SEQUENCE IVTEXXXXXX XILEIRPDRL EHHLREGKVV VVAGFQGIXX XXHLEITTLG DATA SEQUENCE RGGSDTSAVA LAAALKADFC EIYTDVPGIL TTDPRLVPEA QLMAEITCDE DATA SEQUENCE MLELASLGAK VLHPRAVEIA RNYGIPLVVR SSWSDEPGTK VVAPPVQNRS DATA SEQUENCE LVGLEIAKAV DGVEYDADQA KVALLRVPDR PGVASKLFRD IAQQQVDIDL DATA SEQUENCE IIQSIHDGNS NDIAFTVVKD LLNTAEAVTS AIAPALRSYP EADQEAEIIV DATA SEQUENCE EKGIAKIAIA GAGMIGRPGI AAKMFKTLAD VGVNIEMIST SEVKVSCVID DATA SEQUENCE QRDADRAIAA LSNAFGVTLS PPKNQTDXXX LPAVRGVALD QDQAQIAIRH DATA SEQUENCE VPDRPGMAAQ LFTALAEANI SVDMIIQSQR CRINQGTPCR DIAFMVAEGD DATA SEQUENCE SSQAEAILQP LIKDWLDAAI VVNKAIAKVS IVGSGMIGHP GVAAHFFAAL DATA SEQUENCE AQENINIEMI ATSEIKISCV VPQDRGVDAL KAAHSAFNLA GTKTVTVPA 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.530 177.584 -0.090 0.000 1.274 2 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 2 A CB 0.000 19.002 19.000 0.003 0.000 0.831 3 L N 2.753 123.914 121.223 -0.105 0.000 2.485 3 L HA 0.551 4.891 4.340 -0.000 0.000 0.279 3 L C -0.804 175.896 176.870 -0.284 0.000 1.124 3 L CA 0.484 55.235 54.840 -0.148 0.000 0.888 3 L CB -0.617 41.383 42.059 -0.098 0.000 1.217 3 L HN 0.326 nan 8.230 nan 0.000 0.464 4 I N 5.496 125.886 120.570 -0.300 0.000 2.436 4 I HA 0.324 4.494 4.170 -0.000 0.000 0.289 4 I C -0.653 175.331 176.117 -0.222 0.000 1.010 4 I CA -0.928 60.115 61.300 -0.428 0.000 1.098 4 I CB 1.954 39.694 38.000 -0.433 0.000 1.266 4 I HN 0.118 nan 8.210 nan 0.000 0.434 5 V N 6.404 126.205 119.914 -0.188 0.000 2.383 5 V HA 0.303 4.423 4.120 -0.000 0.000 0.275 5 V C -0.040 176.027 176.094 -0.045 0.000 1.036 5 V CA -0.484 61.763 62.300 -0.088 0.000 0.889 5 V CB 1.071 32.855 31.823 -0.065 0.000 0.985 5 V HN 0.709 nan 8.190 nan 0.000 0.459 6 Q N 3.680 123.481 119.800 0.000 0.000 2.306 6 Q HA 0.666 5.006 4.340 -0.000 0.000 0.265 6 Q C -0.647 175.335 176.000 -0.030 0.000 1.022 6 Q CA -0.951 54.859 55.803 0.012 0.000 0.853 6 Q CB 2.776 31.555 28.738 0.067 0.000 1.327 6 Q HN 0.753 nan 8.270 nan 0.000 0.449 7 K N 1.027 121.344 120.400 -0.139 0.000 2.371 7 K HA 0.597 4.917 4.320 -0.000 0.000 0.251 7 K C -1.805 174.635 176.600 -0.267 0.000 0.934 7 K CA -0.396 55.842 56.287 -0.083 0.000 0.798 7 K CB 1.120 33.612 32.500 -0.013 0.000 1.204 7 K HN 0.385 nan 8.250 nan 0.000 0.427 8 F N 1.832 121.838 119.950 0.094 0.000 2.518 8 F HA 0.518 5.045 4.527 -0.000 0.000 0.323 8 F C 0.828 176.667 175.800 0.064 0.000 1.129 8 F CA -0.552 57.496 58.000 0.080 0.000 0.920 8 F CB 2.402 41.393 39.000 -0.015 0.000 1.160 8 F HN 0.796 nan 8.300 nan 0.000 0.440 9 G N 1.001 109.942 108.800 0.235 0.000 2.621 9 G HA2 0.386 4.345 3.960 -0.000 0.000 0.271 9 G HA3 0.386 4.345 3.960 -0.000 0.000 0.271 9 G C 1.014 176.012 174.900 0.164 0.000 1.236 9 G CA -0.175 45.026 45.100 0.168 0.000 0.958 9 G HN 0.871 nan 8.290 nan 0.000 0.512 10 G N -0.473 108.401 108.800 0.123 0.000 2.586 10 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 10 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 10 G C 2.007 176.988 174.900 0.135 0.000 1.216 10 G CA 2.709 47.872 45.100 0.104 0.000 0.786 10 G HN 1.034 nan 8.290 nan 0.000 0.583 11 T N -0.845 113.815 114.554 0.176 0.000 2.737 11 T HA -0.139 4.211 4.350 -0.000 0.000 0.269 11 T C 2.376 177.294 174.700 0.364 0.000 1.040 11 T CA 1.957 64.205 62.100 0.247 0.000 1.142 11 T CB -0.599 68.421 68.868 0.254 0.000 0.861 11 T HN 0.172 nan 8.240 nan 0.000 0.456 12 S N 0.431 116.332 115.700 0.335 0.000 2.537 12 S HA 0.101 4.571 4.470 -0.000 0.000 0.240 12 S C 1.309 175.898 174.600 -0.018 0.000 0.981 12 S CA 0.591 58.858 58.200 0.113 0.000 0.948 12 S CB -0.100 63.194 63.200 0.157 0.000 0.759 12 S HN 0.451 nan 8.310 nan 0.000 0.531 13 V N 0.193 120.139 119.914 0.054 0.000 3.261 13 V HA 0.234 4.354 4.120 -0.000 0.000 0.330 13 V C 1.713 177.822 176.094 0.024 0.000 1.461 13 V CA 0.316 62.610 62.300 -0.009 0.000 1.127 13 V CB 0.401 32.214 31.823 -0.016 0.000 1.044 13 V HN 0.447 nan 8.190 nan 0.000 0.499 14 G N 1.271 110.115 108.800 0.073 0.000 2.443 14 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.219 14 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.219 14 G C 0.821 175.747 174.900 0.044 0.000 1.131 14 G CA 1.498 46.639 45.100 0.068 0.000 0.775 14 G HN 0.603 nan 8.290 nan 0.000 0.547 15 T N -4.027 110.550 114.554 0.039 0.000 2.916 15 T HA 0.440 4.790 4.350 -0.000 0.000 0.292 15 T C 1.042 175.738 174.700 -0.007 0.000 1.055 15 T CA -0.018 62.095 62.100 0.022 0.000 1.009 15 T CB 1.941 70.833 68.868 0.039 0.000 1.118 15 T HN 0.208 nan 8.240 nan 0.000 0.497 16 V N 0.869 120.775 119.914 -0.013 0.000 2.407 16 V HA -0.108 4.011 4.120 -0.000 0.000 0.248 16 V C 2.320 178.389 176.094 -0.041 0.000 1.055 16 V CA 2.673 64.955 62.300 -0.030 0.000 1.049 16 V CB -0.877 30.931 31.823 -0.024 0.000 0.662 16 V HN 1.063 nan 8.190 nan 0.000 0.455 17 E N -0.138 120.047 120.200 -0.025 0.000 2.058 17 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 17 E C 2.424 178.989 176.600 -0.058 0.000 0.997 17 E CA 1.735 58.118 56.400 -0.029 0.000 0.801 17 E CB -0.199 29.500 29.700 -0.002 0.000 0.746 17 E HN 0.628 nan 8.360 nan 0.000 0.450 18 R N 0.118 120.588 120.500 -0.050 0.000 2.096 18 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 18 R C 2.547 178.736 176.300 -0.185 0.000 1.127 18 R CA 1.365 57.396 56.100 -0.115 0.000 0.968 18 R CB -0.290 29.976 30.300 -0.057 0.000 0.861 18 R HN 0.316 nan 8.270 nan 0.000 0.440 19 I N 1.080 121.563 120.570 -0.146 0.000 2.264 19 I HA -0.337 3.833 4.170 -0.000 0.000 0.248 19 I C 2.188 178.188 176.117 -0.195 0.000 1.111 19 I CA 1.529 62.721 61.300 -0.181 0.000 1.382 19 I CB -0.255 37.670 38.000 -0.125 0.000 1.060 19 I HN 0.300 nan 8.210 nan 0.000 0.418 20 Q N 0.317 120.028 119.800 -0.147 0.000 2.172 20 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 20 Q C 2.445 178.349 176.000 -0.160 0.000 0.964 20 Q CA 1.419 57.141 55.803 -0.134 0.000 0.855 20 Q CB -0.186 28.496 28.738 -0.092 0.000 0.918 20 Q HN 0.571 nan 8.270 nan 0.000 0.444 21 A N 0.790 123.499 122.820 -0.185 0.000 1.873 21 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 21 A C 2.289 179.709 177.584 -0.272 0.000 1.186 21 A CA 1.475 53.388 52.037 -0.207 0.000 0.616 21 A CB -0.974 17.888 19.000 -0.230 0.000 0.823 21 A HN 0.305 nan 8.150 nan 0.000 0.442 22 V N -0.311 119.372 119.914 -0.386 0.000 2.295 22 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 22 V C 2.569 178.404 176.094 -0.432 0.000 1.049 22 V CA 2.422 64.388 62.300 -0.557 0.000 1.024 22 V CB -1.119 30.099 31.823 -1.009 0.000 0.648 22 V HN 0.620 nan 8.190 nan 0.000 0.447 23 A N -0.672 121.942 122.820 -0.342 0.000 1.927 23 A HA -0.351 3.969 4.320 -0.000 0.000 0.220 23 A C 2.144 179.625 177.584 -0.172 0.000 1.185 23 A CA 2.599 54.496 52.037 -0.233 0.000 0.639 23 A CB -0.856 18.036 19.000 -0.180 0.000 0.820 23 A HN 0.679 nan 8.150 nan 0.000 0.451 24 Q N -0.585 119.118 119.800 -0.161 0.000 2.020 24 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 24 Q C 2.286 178.223 176.000 -0.105 0.000 0.982 24 Q CA 2.133 57.867 55.803 -0.115 0.000 0.838 24 Q CB -0.347 28.329 28.738 -0.104 0.000 0.899 24 Q HN 0.688 nan 8.270 nan 0.000 0.423 25 R N -0.118 120.303 120.500 -0.131 0.000 2.091 25 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 25 R C 2.179 178.437 176.300 -0.070 0.000 1.136 25 R CA 1.551 57.594 56.100 -0.096 0.000 0.959 25 R CB -0.430 29.798 30.300 -0.119 0.000 0.856 25 R HN 0.357 nan 8.270 nan 0.000 0.437 26 I N 1.562 122.071 120.570 -0.101 0.000 2.127 26 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 26 I C 3.017 179.107 176.117 -0.045 0.000 1.075 26 I CA 2.149 63.414 61.300 -0.059 0.000 1.334 26 I CB -0.799 37.147 38.000 -0.090 0.000 1.040 26 I HN 0.326 nan 8.210 nan 0.000 0.405 27 K N 1.379 121.742 120.400 -0.061 0.000 2.020 27 K HA -0.221 4.099 4.320 -0.000 0.000 0.212 27 K C 2.109 178.693 176.600 -0.028 0.000 1.050 27 K CA 1.961 58.221 56.287 -0.045 0.000 0.929 27 K CB -1.228 31.241 32.500 -0.052 0.000 0.714 27 K HN 0.416 nan 8.250 nan 0.000 0.443 28 R N -0.053 120.431 120.500 -0.027 0.000 2.091 28 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 28 R C 2.742 179.045 176.300 0.005 0.000 1.136 28 R CA 1.868 57.962 56.100 -0.010 0.000 0.959 28 R CB -0.880 29.415 30.300 -0.008 0.000 0.856 28 R HN 0.539 nan 8.270 nan 0.000 0.437 29 T N 1.071 115.631 114.554 0.010 0.000 2.684 29 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 29 T C 2.094 176.804 174.700 0.017 0.000 1.036 29 T CA 1.445 63.563 62.100 0.030 0.000 1.148 29 T CB -0.226 68.667 68.868 0.041 0.000 0.863 29 T HN 0.005 nan 8.240 nan 0.000 0.436 30 V N 1.904 121.818 119.914 0.000 0.000 2.295 30 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 30 V C 2.659 178.752 176.094 -0.002 0.000 1.049 30 V CA 1.640 63.936 62.300 -0.007 0.000 1.024 30 V CB -0.693 31.119 31.823 -0.018 0.000 0.648 30 V HN 0.545 nan 8.190 nan 0.000 0.447 31 Q N 0.144 119.942 119.800 -0.002 0.000 2.291 31 Q HA -0.137 4.203 4.340 -0.000 0.000 0.206 31 Q C 2.275 178.280 176.000 0.009 0.000 0.976 31 Q CA 1.413 57.216 55.803 0.000 0.000 0.875 31 Q CB -0.494 28.242 28.738 -0.002 0.000 0.927 31 Q HN 0.736 nan 8.270 nan 0.000 0.450 32 G N 0.630 109.439 108.800 0.016 0.000 2.498 32 G HA2 0.010 3.970 3.960 -0.000 0.000 0.219 32 G HA3 0.010 3.970 3.960 -0.000 0.000 0.219 32 G C 0.906 175.821 174.900 0.026 0.000 1.119 32 G CA 0.615 45.732 45.100 0.027 0.000 0.766 32 G HN 0.509 nan 8.290 nan 0.000 0.552 33 G N -0.837 107.973 108.800 0.018 0.000 2.181 33 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.152 33 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.152 33 G C -0.326 174.581 174.900 0.013 0.000 1.026 33 G CA -0.232 44.877 45.100 0.015 0.000 0.699 33 G HN 0.441 nan 8.290 nan 0.000 0.497 34 N N 0.049 118.752 118.700 0.005 0.000 2.292 34 N HA 0.650 5.390 4.740 -0.000 0.000 0.303 34 N C -0.571 174.923 175.510 -0.026 0.000 1.140 34 N CA -0.370 52.674 53.050 -0.010 0.000 0.788 34 N CB 1.897 40.380 38.487 -0.008 0.000 1.361 34 N HN 0.097 nan 8.380 nan 0.000 0.489 35 S N 1.025 116.699 115.700 -0.043 0.000 2.508 35 S HA 0.537 5.007 4.470 -0.000 0.000 0.284 35 S C -0.350 174.208 174.600 -0.070 0.000 1.192 35 S CA -0.563 57.606 58.200 -0.051 0.000 1.070 35 S CB 0.691 63.861 63.200 -0.051 0.000 1.004 35 S HN 0.272 nan 8.310 nan 0.000 0.493 36 L N 3.269 124.457 121.223 -0.059 0.000 2.356 36 L HA 0.530 4.870 4.340 -0.000 0.000 0.277 36 L C -0.788 176.051 176.870 -0.051 0.000 0.996 36 L CA -0.360 54.449 54.840 -0.053 0.000 0.822 36 L CB 1.906 43.950 42.059 -0.025 0.000 1.256 36 L HN 0.409 nan 8.230 nan 0.000 0.413 37 V N 4.546 124.427 119.914 -0.055 0.000 2.370 37 V HA 0.542 4.662 4.120 -0.000 0.000 0.283 37 V C -0.327 175.763 176.094 -0.006 0.000 1.023 37 V CA -0.699 61.575 62.300 -0.044 0.000 0.857 37 V CB 1.894 33.678 31.823 -0.064 0.000 0.985 37 V HN 0.414 nan 8.190 nan 0.000 0.443 38 V N 5.940 125.862 119.914 0.014 0.000 2.417 38 V HA 0.491 4.611 4.120 -0.000 0.000 0.291 38 V C -0.131 175.997 176.094 0.058 0.000 1.024 38 V CA -0.601 61.743 62.300 0.073 0.000 0.861 38 V CB 2.009 33.896 31.823 0.106 0.000 0.985 38 V HN 0.589 nan 8.190 nan 0.000 0.436 39 V N 5.627 125.591 119.914 0.084 0.000 2.483 39 V HA 0.610 4.730 4.120 -0.000 0.000 0.295 39 V C -0.248 175.919 176.094 0.121 0.000 1.035 39 V CA -0.415 61.923 62.300 0.064 0.000 0.896 39 V CB 1.939 33.792 31.823 0.050 0.000 0.986 39 V HN 0.637 nan 8.190 nan 0.000 0.447 40 V N 3.021 122.984 119.914 0.081 0.000 2.789 40 V HA 0.519 4.639 4.120 -0.000 0.000 0.311 40 V C 0.033 176.165 176.094 0.064 0.000 1.073 40 V CA -0.541 61.821 62.300 0.102 0.000 0.921 40 V CB 2.265 34.120 31.823 0.053 0.000 1.009 40 V HN 0.852 nan 8.190 nan 0.000 0.426 41 S N 1.919 117.667 115.700 0.079 0.000 2.652 41 S HA 0.703 5.173 4.470 -0.000 0.000 0.270 41 S C 0.552 175.175 174.600 0.038 0.000 1.243 41 S CA -0.054 58.179 58.200 0.055 0.000 0.999 41 S CB 1.479 64.720 63.200 0.067 0.000 0.973 41 S HN 1.200 nan 8.310 nan 0.000 0.544 42 A N 1.753 124.589 122.820 0.027 0.000 2.536 42 A HA 0.100 4.420 4.320 -0.000 0.000 0.234 42 A C 1.409 179.009 177.584 0.027 0.000 1.076 42 A CA 0.167 52.215 52.037 0.019 0.000 0.769 42 A CB -0.253 18.757 19.000 0.015 0.000 1.020 42 A HN 0.932 nan 8.150 nan 0.000 0.508 43 M N 0.882 120.493 119.600 0.020 0.000 2.080 43 M HA -0.079 4.401 4.480 -0.000 0.000 0.260 43 M C 1.363 177.687 176.300 0.040 0.000 1.068 43 M CA 2.352 57.666 55.300 0.024 0.000 1.109 43 M CB -0.404 32.204 32.600 0.013 0.000 1.342 43 M HN 0.939 nan 8.290 nan 0.000 0.405 44 G N -1.235 107.587 108.800 0.036 0.000 3.046 44 G HA2 0.159 4.118 3.960 -0.000 0.000 0.137 44 G HA3 0.159 4.118 3.960 -0.000 0.000 0.137 44 G C -0.434 174.487 174.900 0.034 0.000 1.207 44 G CA -0.544 44.582 45.100 0.044 0.000 1.218 44 G HN -0.035 nan 8.290 nan 0.000 0.625 45 K N 1.440 121.858 120.400 0.029 0.000 2.616 45 K HA 0.098 4.417 4.320 -0.000 0.000 0.192 45 K C 2.374 178.985 176.600 0.018 0.000 1.031 45 K CA 1.020 57.320 56.287 0.022 0.000 1.004 45 K CB 0.028 32.539 32.500 0.018 0.000 0.810 45 K HN 0.375 nan 8.250 nan 0.000 0.497 46 S N -1.261 114.450 115.700 0.019 0.000 2.419 46 S HA -0.202 4.268 4.470 -0.000 0.000 0.235 46 S C 2.074 176.682 174.600 0.012 0.000 1.019 46 S CA 1.787 59.995 58.200 0.014 0.000 0.982 46 S CB -0.451 62.757 63.200 0.014 0.000 0.789 46 S HN 0.382 nan 8.310 nan 0.000 0.490 47 T N 0.218 114.780 114.554 0.014 0.000 3.054 47 T HA 0.032 4.382 4.350 -0.000 0.000 0.259 47 T C 1.301 176.008 174.700 0.011 0.000 1.092 47 T CA 0.885 62.992 62.100 0.012 0.000 1.121 47 T CB -0.492 68.384 68.868 0.013 0.000 0.912 47 T HN 0.261 nan 8.240 nan 0.000 0.489 48 D N 1.101 121.508 120.400 0.011 0.000 2.097 48 D HA -0.041 4.599 4.640 -0.000 0.000 0.197 48 D C 2.297 178.602 176.300 0.009 0.000 0.984 48 D CA 0.975 54.981 54.000 0.010 0.000 0.826 48 D CB -0.512 40.294 40.800 0.011 0.000 0.973 48 D HN 0.298 nan 8.370 nan 0.000 0.460 49 V N 1.287 121.207 119.914 0.009 0.000 2.324 49 V HA -0.296 3.824 4.120 -0.000 0.000 0.250 49 V C 2.938 179.037 176.094 0.007 0.000 1.060 49 V CA 2.154 64.459 62.300 0.008 0.000 1.042 49 V CB -1.237 30.591 31.823 0.008 0.000 0.650 49 V HN 0.314 nan 8.190 nan 0.000 0.450 50 L N -0.800 120.428 121.223 0.008 0.000 2.131 50 L HA -0.054 4.285 4.340 -0.000 0.000 0.210 50 L C 2.535 179.410 176.870 0.007 0.000 1.092 50 L CA 2.471 57.315 54.840 0.007 0.000 0.759 50 L CB -1.421 40.643 42.059 0.007 0.000 0.903 50 L HN 0.296 nan 8.230 nan 0.000 0.435 51 V N 0.540 120.459 119.914 0.008 0.000 2.488 51 V HA -0.135 3.985 4.120 -0.000 0.000 0.246 51 V C 2.928 179.026 176.094 0.007 0.000 1.046 51 V CA 1.780 64.085 62.300 0.008 0.000 1.053 51 V CB -0.996 30.832 31.823 0.008 0.000 0.679 51 V HN 0.783 nan 8.190 nan 0.000 0.458 52 D N 0.245 120.650 120.400 0.007 0.000 2.149 52 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 52 D C 2.153 178.457 176.300 0.006 0.000 0.990 52 D CA 2.265 56.269 54.000 0.007 0.000 0.839 52 D CB -0.450 40.354 40.800 0.007 0.000 0.948 52 D HN 0.442 nan 8.370 nan 0.000 0.460 53 L N -0.011 121.216 121.223 0.006 0.000 2.044 53 L HA 0.547 4.887 4.340 -0.000 0.000 0.205 53 L C 3.209 180.083 176.870 0.006 0.000 1.075 53 L CA 2.189 57.033 54.840 0.006 0.000 0.747 53 L CB -1.553 40.509 42.059 0.005 0.000 0.903 53 L HN 0.667 nan 8.230 nan 0.000 0.435 54 A N -1.505 121.319 122.820 0.006 0.000 1.877 54 A HA -0.277 4.043 4.320 -0.000 0.000 0.216 54 A C 2.296 179.884 177.584 0.007 0.000 1.186 54 A CA 1.912 53.953 52.037 0.007 0.000 0.620 54 A CB -0.596 18.408 19.000 0.008 0.000 0.822 54 A HN 0.710 nan 8.150 nan 0.000 0.443 55 Q N -0.158 119.646 119.800 0.007 0.000 2.112 55 Q HA -0.227 4.112 4.340 -0.000 0.000 0.206 55 Q C 2.167 178.171 176.000 0.006 0.000 0.987 55 Q CA 2.195 58.003 55.803 0.007 0.000 0.858 55 Q CB -0.394 28.348 28.738 0.007 0.000 0.905 55 Q HN 0.792 nan 8.270 nan 0.000 0.420 56 Q N -0.874 118.930 119.800 0.006 0.000 2.297 56 Q HA -0.132 4.208 4.340 -0.000 0.000 0.208 56 Q C 1.698 177.701 176.000 0.005 0.000 0.981 56 Q CA 1.047 56.853 55.803 0.005 0.000 0.876 56 Q CB 0.027 28.768 28.738 0.005 0.000 0.921 56 Q HN 0.479 nan 8.270 nan 0.000 0.446 57 I N -1.434 119.139 120.570 0.005 0.000 3.081 57 I HA 0.011 4.181 4.170 -0.000 0.000 0.274 57 I C 0.653 176.774 176.117 0.005 0.000 1.178 57 I CA 0.154 61.457 61.300 0.005 0.000 1.460 57 I CB 0.848 38.851 38.000 0.005 0.000 1.137 57 I HN -0.160 nan 8.210 nan 0.000 0.443 58 S N 0.184 115.887 115.700 0.006 0.000 2.599 58 S HA 0.323 4.792 4.470 -0.000 0.000 0.269 58 S C -2.428 172.176 174.600 0.007 0.000 1.135 58 S CA -0.818 57.386 58.200 0.006 0.000 1.027 58 S CB 1.243 64.447 63.200 0.007 0.000 1.129 58 S HN -0.197 nan 8.310 nan 0.000 0.458 59 P HA 0.147 nan 4.420 nan 0.000 0.252 59 P C -0.334 176.971 177.300 0.009 0.000 1.265 59 P CA 0.317 63.422 63.100 0.008 0.000 0.775 59 P CB -0.333 31.372 31.700 0.008 0.000 1.128 60 N N -1.330 117.375 118.700 0.008 0.000 2.703 60 N HA 0.206 4.946 4.740 -0.000 0.000 0.283 60 N C -2.985 172.530 175.510 0.009 0.000 1.851 60 N CA -1.508 51.547 53.050 0.009 0.000 0.826 60 N CB 0.065 38.557 38.487 0.008 0.000 1.239 60 N HN -0.037 nan 8.380 nan 0.000 0.495 61 P HA 0.133 nan 4.420 nan 0.000 0.280 61 P C 0.602 177.908 177.300 0.010 0.000 1.300 61 P CA -0.579 62.527 63.100 0.009 0.000 0.785 61 P CB 0.322 32.028 31.700 0.010 0.000 0.874 62 C N 3.309 122.615 119.300 0.010 0.000 2.298 62 C HA 0.147 4.607 4.460 -0.000 0.000 0.395 62 C C 2.098 177.095 174.990 0.012 0.000 1.526 62 C CA 0.573 59.597 59.018 0.010 0.000 1.458 62 C CB -1.135 26.611 27.740 0.009 0.000 2.506 62 C HN 0.794 nan 8.230 nan 0.000 0.604 63 R N 4.289 124.796 120.500 0.013 0.000 2.148 63 R HA -0.034 4.306 4.340 -0.000 0.000 0.223 63 R C 2.382 178.692 176.300 0.017 0.000 1.088 63 R CA 1.734 57.843 56.100 0.015 0.000 0.985 63 R CB -0.831 29.479 30.300 0.017 0.000 0.880 63 R HN 0.934 nan 8.270 nan 0.000 0.451 64 R N 0.425 120.934 120.500 0.016 0.000 2.082 64 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 64 R C 1.965 178.275 176.300 0.017 0.000 1.136 64 R CA 1.857 57.968 56.100 0.017 0.000 0.935 64 R CB -0.121 30.188 30.300 0.015 0.000 0.842 64 R HN 0.520 nan 8.270 nan 0.000 0.430 65 E N 0.266 120.475 120.200 0.014 0.000 2.118 65 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 65 E C 2.002 178.610 176.600 0.013 0.000 0.992 65 E CA 1.162 57.570 56.400 0.013 0.000 0.804 65 E CB -0.223 29.484 29.700 0.010 0.000 0.741 65 E HN 0.396 nan 8.360 nan 0.000 0.458 66 M N 1.080 120.688 119.600 0.014 0.000 2.117 66 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 66 M C 1.679 177.989 176.300 0.017 0.000 1.065 66 M CA 1.213 56.521 55.300 0.015 0.000 1.114 66 M CB -0.927 31.682 32.600 0.015 0.000 1.361 66 M HN 0.004 nan 8.290 nan 0.000 0.408 67 D N 0.114 120.527 120.400 0.021 0.000 2.092 67 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 67 D C 1.989 178.304 176.300 0.025 0.000 0.994 67 D CA 1.295 55.312 54.000 0.027 0.000 0.828 67 D CB -0.258 40.563 40.800 0.035 0.000 0.963 67 D HN 0.360 nan 8.370 nan 0.000 0.450 68 M N 0.663 120.276 119.600 0.021 0.000 2.082 68 M HA -0.210 4.270 4.480 -0.000 0.000 0.258 68 M C 2.326 178.633 176.300 0.012 0.000 1.071 68 M CA 1.423 56.733 55.300 0.016 0.000 1.103 68 M CB -0.286 32.322 32.600 0.014 0.000 1.307 68 M HN 0.031 nan 8.290 nan 0.000 0.409 69 L N 0.521 121.751 121.223 0.011 0.000 1.978 69 L HA -0.293 4.046 4.340 -0.000 0.000 0.218 69 L C 2.274 179.150 176.870 0.009 0.000 1.075 69 L CA 1.710 56.556 54.840 0.009 0.000 0.767 69 L CB -0.415 41.650 42.059 0.009 0.000 0.890 69 L HN 0.402 nan 8.230 nan 0.000 0.434 70 L N -0.493 120.736 121.223 0.011 0.000 2.201 70 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 70 L C 2.794 179.670 176.870 0.010 0.000 1.105 70 L CA 1.712 56.559 54.840 0.011 0.000 0.775 70 L CB -0.797 41.270 42.059 0.014 0.000 0.913 70 L HN 0.345 nan 8.230 nan 0.000 0.440 71 S N -1.110 114.596 115.700 0.011 0.000 2.442 71 S HA -0.187 4.283 4.470 -0.000 0.000 0.236 71 S C 2.177 176.774 174.600 -0.005 0.000 1.007 71 S CA 1.616 59.819 58.200 0.004 0.000 0.965 71 S CB -0.405 62.798 63.200 0.006 0.000 0.773 71 S HN 0.656 nan 8.310 nan 0.000 0.504 72 T N -1.726 112.827 114.554 -0.002 0.000 2.904 72 T HA 0.104 4.454 4.350 -0.000 0.000 0.267 72 T C 1.995 176.691 174.700 -0.007 0.000 1.059 72 T CA 1.262 63.358 62.100 -0.005 0.000 1.137 72 T CB -1.151 67.715 68.868 -0.003 0.000 0.879 72 T HN 0.387 nan 8.240 nan 0.000 0.467 73 G N 1.422 110.221 108.800 -0.003 0.000 2.422 73 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.218 73 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.218 73 G C 1.609 176.506 174.900 -0.005 0.000 1.140 73 G CA 0.551 45.650 45.100 -0.001 0.000 0.775 73 G HN 0.624 nan 8.290 nan 0.000 0.545 74 E N 0.360 120.556 120.200 -0.007 0.000 2.107 74 E HA -0.112 4.237 4.350 -0.000 0.000 0.191 74 E C 2.531 179.116 176.600 -0.026 0.000 0.982 74 E CA 0.742 57.133 56.400 -0.014 0.000 0.809 74 E CB -0.206 29.482 29.700 -0.020 0.000 0.756 74 E HN 0.526 nan 8.360 nan 0.000 0.459 75 Q N 0.744 120.528 119.800 -0.027 0.000 2.084 75 Q HA -0.129 4.210 4.340 -0.000 0.000 0.202 75 Q C 2.600 178.583 176.000 -0.028 0.000 0.978 75 Q CA 1.762 57.546 55.803 -0.032 0.000 0.844 75 Q CB -0.273 28.449 28.738 -0.028 0.000 0.898 75 Q HN 0.278 nan 8.270 nan 0.000 0.426 76 V N -1.312 118.589 119.914 -0.021 0.000 2.427 76 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 76 V C 1.876 177.954 176.094 -0.027 0.000 1.051 76 V CA 2.093 64.380 62.300 -0.022 0.000 1.048 76 V CB -0.357 31.456 31.823 -0.016 0.000 0.666 76 V HN 0.188 nan 8.190 nan 0.000 0.456 77 S N 1.760 117.445 115.700 -0.025 0.000 2.356 77 S HA -0.102 4.368 4.470 -0.000 0.000 0.223 77 S C 1.926 176.501 174.600 -0.042 0.000 1.032 77 S CA 2.048 60.230 58.200 -0.030 0.000 1.005 77 S CB -0.613 62.577 63.200 -0.017 0.000 0.867 77 S HN 0.901 nan 8.310 nan 0.000 0.449 78 I N 0.109 120.655 120.570 -0.039 0.000 2.394 78 I HA -0.004 4.166 4.170 -0.000 0.000 0.251 78 I C 2.301 178.388 176.117 -0.049 0.000 1.136 78 I CA 1.137 62.409 61.300 -0.046 0.000 1.425 78 I CB -0.545 37.427 38.000 -0.048 0.000 1.079 78 I HN 0.194 nan 8.210 nan 0.000 0.425 79 A N 2.235 125.029 122.820 -0.043 0.000 1.858 79 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 79 A C 2.306 179.863 177.584 -0.045 0.000 1.190 79 A CA 1.489 53.502 52.037 -0.040 0.000 0.617 79 A CB -0.849 18.131 19.000 -0.033 0.000 0.827 79 A HN 0.438 nan 8.150 nan 0.000 0.443 80 L N -0.865 120.330 121.223 -0.046 0.000 1.989 80 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 80 L C 2.604 179.432 176.870 -0.068 0.000 1.071 80 L CA 2.072 56.880 54.840 -0.052 0.000 0.749 80 L CB -1.546 40.483 42.059 -0.050 0.000 0.890 80 L HN 0.494 nan 8.230 nan 0.000 0.431 81 L N 0.064 121.238 121.223 -0.081 0.000 2.042 81 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 81 L C 2.835 179.647 176.870 -0.096 0.000 1.076 81 L CA 2.216 56.991 54.840 -0.109 0.000 0.749 81 L CB -0.663 41.320 42.059 -0.128 0.000 0.893 81 L HN 0.447 nan 8.230 nan 0.000 0.432 82 S N -1.485 114.170 115.700 -0.075 0.000 2.428 82 S HA -0.114 4.356 4.470 -0.000 0.000 0.230 82 S C 2.035 176.599 174.600 -0.060 0.000 1.014 82 S CA 1.030 59.191 58.200 -0.066 0.000 0.957 82 S CB -0.720 62.446 63.200 -0.056 0.000 0.784 82 S HN 0.500 nan 8.310 nan 0.000 0.499 83 L N 1.167 122.356 121.223 -0.056 0.000 2.027 83 L HA 0.011 4.350 4.340 -0.000 0.000 0.206 83 L C 3.245 180.081 176.870 -0.056 0.000 1.074 83 L CA 1.227 56.037 54.840 -0.050 0.000 0.745 83 L CB -0.859 41.174 42.059 -0.045 0.000 0.898 83 L HN 0.486 nan 8.230 nan 0.000 0.433 84 A N -0.020 122.759 122.820 -0.068 0.000 1.933 84 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 84 A C 2.240 179.777 177.584 -0.079 0.000 1.175 84 A CA 1.440 53.431 52.037 -0.077 0.000 0.628 84 A CB -0.653 18.289 19.000 -0.097 0.000 0.814 84 A HN 0.357 nan 8.150 nan 0.000 0.444 85 L N -0.990 120.183 121.223 -0.083 0.000 2.056 85 L HA -0.235 4.105 4.340 -0.000 0.000 0.207 85 L C 2.879 179.713 176.870 -0.061 0.000 1.078 85 L CA 1.549 56.342 54.840 -0.078 0.000 0.749 85 L CB -0.461 41.550 42.059 -0.079 0.000 0.901 85 L HN 0.471 nan 8.230 nan 0.000 0.433 86 Q N -0.370 119.397 119.800 -0.054 0.000 2.167 86 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 86 Q C 2.385 178.361 176.000 -0.040 0.000 0.970 86 Q CA 1.577 57.353 55.803 -0.044 0.000 0.855 86 Q CB -0.174 28.540 28.738 -0.040 0.000 0.911 86 Q HN 0.662 nan 8.270 nan 0.000 0.438 87 E N 1.545 121.719 120.200 -0.043 0.000 2.204 87 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 87 E C 1.502 178.079 176.600 -0.039 0.000 0.989 87 E CA 1.234 57.610 56.400 -0.039 0.000 0.824 87 E CB -0.719 28.956 29.700 -0.041 0.000 0.756 87 E HN 0.653 nan 8.360 nan 0.000 0.477 88 I N -3.379 117.164 120.570 -0.044 0.000 3.856 88 I HA 0.249 4.419 4.170 -0.000 0.000 0.333 88 I C -0.731 175.363 176.117 -0.038 0.000 1.525 88 I CA -0.093 61.182 61.300 -0.042 0.000 1.173 88 I CB -0.107 37.863 38.000 -0.050 0.000 1.175 88 I HN -0.106 nan 8.210 nan 0.000 0.424 89 D N 1.172 121.551 120.400 -0.035 0.000 2.723 89 D HA -0.171 4.469 4.640 -0.000 0.000 0.236 89 D C -0.107 176.173 176.300 -0.034 0.000 1.138 89 D CA 0.678 54.659 54.000 -0.031 0.000 0.676 89 D CB -0.666 40.118 40.800 -0.026 0.000 1.069 89 D HN 0.533 nan 8.370 nan 0.000 0.430 90 Q N 0.277 120.053 119.800 -0.040 0.000 2.394 90 Q HA 0.318 4.658 4.340 -0.000 0.000 0.259 90 Q C -2.515 173.459 176.000 -0.043 0.000 1.021 90 Q CA -1.723 54.055 55.803 -0.042 0.000 0.805 90 Q CB 1.622 30.330 28.738 -0.050 0.000 1.226 90 Q HN 0.000 nan 8.270 nan 0.000 0.476 91 P HA 0.046 nan 4.420 nan 0.000 0.260 91 P C -1.138 176.134 177.300 -0.047 0.000 1.185 91 P CA 0.441 63.516 63.100 -0.041 0.000 0.763 91 P CB 0.663 32.340 31.700 -0.039 0.000 0.776 92 A N 3.979 126.769 122.820 -0.049 0.000 2.504 92 A HA 0.937 5.257 4.320 -0.000 0.000 0.285 92 A C -1.188 176.365 177.584 -0.051 0.000 1.261 92 A CA -0.721 51.285 52.037 -0.052 0.000 0.741 92 A CB 1.432 20.399 19.000 -0.055 0.000 1.327 92 A HN 0.530 nan 8.150 nan 0.000 0.441 93 I N -0.480 120.059 120.570 -0.051 0.000 2.739 93 I HA 0.308 4.477 4.170 -0.000 0.000 0.288 93 I C -1.413 174.676 176.117 -0.046 0.000 1.582 93 I CA -0.132 61.140 61.300 -0.047 0.000 1.035 93 I CB 2.002 39.972 38.000 -0.049 0.000 1.432 93 I HN 0.529 nan 8.210 nan 0.000 0.444 94 S N 7.355 123.030 115.700 -0.042 0.000 2.422 94 S HA 0.603 5.073 4.470 -0.000 0.000 0.298 94 S C -0.406 174.168 174.600 -0.044 0.000 1.118 94 S CA -0.544 57.629 58.200 -0.045 0.000 1.083 94 S CB 0.791 63.964 63.200 -0.044 0.000 0.971 94 S HN 0.335 nan 8.310 nan 0.000 0.478 95 L N 2.550 123.741 121.223 -0.053 0.000 2.344 95 L HA 0.687 5.027 4.340 -0.000 0.000 0.272 95 L C 0.426 177.248 176.870 -0.081 0.000 1.035 95 L CA -0.404 54.404 54.840 -0.053 0.000 0.807 95 L CB 1.997 44.028 42.059 -0.047 0.000 1.237 95 L HN 0.503 nan 8.230 nan 0.000 0.442 96 T N 0.152 114.661 114.554 -0.075 0.000 2.868 96 T HA 0.564 4.914 4.350 -0.000 0.000 0.306 96 T C 0.261 174.913 174.700 -0.080 0.000 1.224 96 T CA 0.470 62.513 62.100 -0.095 0.000 1.012 96 T CB 1.782 70.612 68.868 -0.064 0.000 1.221 96 T HN 0.989 nan 8.240 nan 0.000 0.499 97 G N 2.111 110.853 108.800 -0.097 0.000 2.684 97 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.332 97 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.332 97 G C 1.438 176.350 174.900 0.019 0.000 1.306 97 G CA 0.881 45.965 45.100 -0.027 0.000 1.002 97 G HN 1.543 nan 8.290 nan 0.000 0.545 98 A N -0.659 122.185 122.820 0.039 0.000 2.178 98 A HA 0.046 4.366 4.320 -0.000 0.000 0.218 98 A C 2.296 179.910 177.584 0.049 0.000 1.157 98 A CA 2.274 54.345 52.037 0.056 0.000 0.689 98 A CB -0.348 18.677 19.000 0.043 0.000 0.787 98 A HN 0.709 nan 8.150 nan 0.000 0.465 99 Q N -1.029 118.788 119.800 0.027 0.000 2.378 99 Q HA -0.001 4.339 4.340 -0.000 0.000 0.205 99 Q C 1.576 177.597 176.000 0.034 0.000 0.954 99 Q CA 1.242 57.061 55.803 0.026 0.000 0.901 99 Q CB 0.089 28.832 28.738 0.009 0.000 0.981 99 Q HN 0.567 nan 8.270 nan 0.000 0.483 100 V N -1.582 118.352 119.914 0.033 0.000 2.908 100 V HA 0.321 4.441 4.120 -0.000 0.000 0.240 100 V C 0.812 177.027 176.094 0.202 0.000 1.117 100 V CA 0.901 63.236 62.300 0.057 0.000 1.133 100 V CB 0.973 32.743 31.823 -0.089 0.000 0.857 100 V HN 0.366 nan 8.190 nan 0.000 0.478 101 G N -0.489 108.487 108.800 0.293 0.000 2.320 101 G HA2 0.529 4.489 3.960 -0.000 0.000 0.296 101 G HA3 0.529 4.489 3.960 -0.000 0.000 0.296 101 G C -2.093 172.974 174.900 0.277 0.000 1.306 101 G CA -0.625 44.668 45.100 0.321 0.000 0.836 101 G HN 0.012 nan 8.290 nan 0.000 0.517 102 I N 0.370 121.002 120.570 0.103 0.000 2.534 102 I HA 0.442 4.611 4.170 -0.000 0.000 0.288 102 I C -0.499 175.586 176.117 -0.054 0.000 1.077 102 I CA -1.056 60.276 61.300 0.053 0.000 1.051 102 I CB 2.264 40.285 38.000 0.035 0.000 1.234 102 I HN 0.269 nan 8.210 nan 0.000 0.425 103 V N 4.506 124.399 119.914 -0.034 0.000 2.427 103 V HA 0.508 4.628 4.120 -0.000 0.000 0.286 103 V C 0.072 176.152 176.094 -0.023 0.000 1.034 103 V CA -0.297 61.960 62.300 -0.071 0.000 0.893 103 V CB 1.691 33.478 31.823 -0.060 0.000 0.982 103 V HN 0.754 nan 8.190 nan 0.000 0.452 104 T N 3.433 117.970 114.554 -0.029 0.000 2.841 104 T HA 0.811 5.161 4.350 -0.000 0.000 0.283 104 T C 0.009 174.704 174.700 -0.009 0.000 1.000 104 T CA -0.169 61.924 62.100 -0.011 0.000 0.977 104 T CB 1.771 70.633 68.868 -0.011 0.000 0.979 104 T HN 1.012 nan 8.240 nan 0.000 0.446 114 L N 1.410 122.632 121.223 -0.001 0.000 2.360 114 L HA 0.866 5.206 4.340 -0.000 0.000 0.276 114 L C 0.079 176.934 176.870 -0.025 0.000 1.121 114 L CA -0.397 54.437 54.840 -0.011 0.000 0.845 114 L CB 0.448 42.503 42.059 -0.007 0.000 1.143 114 L HN 0.906 nan 8.230 nan 0.000 0.452 115 E N 3.754 123.932 120.200 -0.038 0.000 2.255 115 E HA 0.432 4.782 4.350 -0.000 0.000 0.256 115 E C -1.431 175.115 176.600 -0.089 0.000 0.887 115 E CA -0.318 56.052 56.400 -0.050 0.000 0.782 115 E CB 1.697 31.380 29.700 -0.029 0.000 1.214 115 E HN 0.786 nan 8.360 nan 0.000 0.417 116 I N 4.340 124.829 120.570 -0.136 0.000 2.440 116 I HA 0.416 4.586 4.170 -0.000 0.000 0.294 116 I C -0.655 175.353 176.117 -0.182 0.000 0.995 116 I CA -0.593 60.565 61.300 -0.236 0.000 1.306 116 I CB 0.345 38.137 38.000 -0.348 0.000 1.407 116 I HN 0.475 nan 8.210 nan 0.000 0.501 117 R N 5.499 125.892 120.500 -0.178 0.000 2.605 117 R HA 0.518 4.858 4.340 -0.000 0.000 0.291 117 R C -3.087 173.187 176.300 -0.042 0.000 1.226 117 R CA -1.544 54.499 56.100 -0.095 0.000 0.981 117 R CB 0.850 31.121 30.300 -0.048 0.000 1.215 117 R HN 0.291 nan 8.270 nan 0.000 0.428 118 P HA 0.053 nan 4.420 nan 0.000 0.274 118 P C -0.582 176.756 177.300 0.065 0.000 1.260 118 P CA -0.010 63.133 63.100 0.071 0.000 0.793 118 P CB 0.716 32.455 31.700 0.065 0.000 1.048 119 D N -0.068 120.383 120.400 0.086 0.000 3.625 119 D HA 0.272 4.912 4.640 -0.000 0.000 0.181 119 D C 0.026 176.394 176.300 0.115 0.000 1.109 119 D CA 0.068 54.118 54.000 0.083 0.000 1.379 119 D CB 0.272 41.117 40.800 0.075 0.000 1.015 119 D HN 0.330 nan 8.370 nan 0.000 0.231 120 R N 0.107 120.679 120.500 0.121 0.000 2.426 120 R HA 0.073 4.413 4.340 -0.000 0.000 0.129 120 R C -0.609 175.786 176.300 0.159 0.000 0.893 120 R CA -0.159 56.051 56.100 0.183 0.000 0.846 120 R CB -1.831 28.669 30.300 0.333 0.000 1.151 120 R HN 0.450 nan 8.270 nan 0.000 0.656 121 L N 1.155 122.447 121.223 0.116 0.000 2.554 121 L HA 0.096 4.436 4.340 -0.000 0.000 0.226 121 L C 1.760 178.716 176.870 0.143 0.000 1.137 121 L CA 1.536 56.458 54.840 0.137 0.000 0.863 121 L CB 0.275 42.395 42.059 0.101 0.000 0.985 121 L HN 0.459 nan 8.230 nan 0.000 0.451 122 E N -2.263 117.988 120.200 0.085 0.000 2.415 122 E HA -0.190 4.160 4.350 -0.000 0.000 0.197 122 E C 1.429 178.037 176.600 0.014 0.000 1.007 122 E CA 0.216 56.626 56.400 0.017 0.000 0.890 122 E CB -0.303 29.378 29.700 -0.033 0.000 0.891 122 E HN 0.514 nan 8.360 nan 0.000 0.496 123 H N 0.704 119.795 119.070 0.036 0.000 2.387 123 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 123 H C 2.295 177.660 175.328 0.061 0.000 1.099 123 H CA 2.228 58.298 56.048 0.037 0.000 1.315 123 H CB -0.069 29.718 29.762 0.042 0.000 1.380 123 H HN 0.359 nan 8.280 nan 0.000 0.513 124 H N 0.498 119.644 119.070 0.126 0.000 2.276 124 H HA -0.094 4.462 4.556 -0.000 0.000 0.301 124 H C 1.924 177.275 175.328 0.037 0.000 1.073 124 H CA 1.468 57.555 56.048 0.064 0.000 1.311 124 H CB -0.200 29.587 29.762 0.043 0.000 1.379 124 H HN 0.287 nan 8.280 nan 0.000 0.494 125 L N 0.992 122.004 121.223 -0.352 0.000 2.549 125 L HA -0.092 4.248 4.340 -0.000 0.000 0.230 125 L C 2.613 179.366 176.870 -0.195 0.000 1.162 125 L CA 0.433 55.045 54.840 -0.379 0.000 0.834 125 L CB -0.301 41.637 42.059 -0.202 0.000 0.947 125 L HN 0.149 nan 8.230 nan 0.000 0.452 126 R N 0.829 121.261 120.500 -0.114 0.000 2.241 126 R HA -0.109 4.231 4.340 -0.000 0.000 0.224 126 R C 0.302 176.566 176.300 -0.060 0.000 1.101 126 R CA 0.685 56.745 56.100 -0.067 0.000 0.995 126 R CB -0.123 30.165 30.300 -0.021 0.000 0.870 126 R HN 0.153 nan 8.270 nan 0.000 0.463 127 E N -0.582 119.570 120.200 -0.081 0.000 1.861 127 E HA 0.294 4.644 4.350 -0.000 0.000 0.263 127 E C 0.636 177.199 176.600 -0.063 0.000 1.137 127 E CA 0.575 56.942 56.400 -0.054 0.000 0.944 127 E CB 0.449 30.130 29.700 -0.032 0.000 1.092 127 E HN 0.360 nan 8.360 nan 0.000 0.420 128 G N 3.273 112.045 108.800 -0.048 0.000 2.475 128 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.209 128 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.209 128 G C 0.155 175.025 174.900 -0.050 0.000 1.127 128 G CA -0.418 44.656 45.100 -0.044 0.000 0.681 128 G HN 0.403 nan 8.290 nan 0.000 0.517 129 K N 0.960 121.321 120.400 -0.066 0.000 2.143 129 K HA 0.608 4.928 4.320 -0.000 0.000 0.272 129 K C 0.294 176.857 176.600 -0.061 0.000 1.001 129 K CA -0.131 56.117 56.287 -0.065 0.000 0.915 129 K CB 2.859 35.313 32.500 -0.078 0.000 1.047 129 K HN 0.724 nan 8.250 nan 0.000 0.458 130 V N 2.613 122.495 119.914 -0.054 0.000 2.455 130 V HA 0.234 4.354 4.120 -0.000 0.000 0.273 130 V C -0.284 175.778 176.094 -0.054 0.000 1.045 130 V CA -0.636 61.634 62.300 -0.051 0.000 0.976 130 V CB 1.182 32.978 31.823 -0.043 0.000 0.993 130 V HN 0.526 nan 8.190 nan 0.000 0.475 131 V N 7.715 127.595 119.914 -0.056 0.000 2.406 131 V HA 0.602 4.722 4.120 -0.000 0.000 0.272 131 V C -0.164 175.903 176.094 -0.045 0.000 1.043 131 V CA 0.031 62.298 62.300 -0.055 0.000 0.915 131 V CB 1.356 33.142 31.823 -0.061 0.000 0.988 131 V HN 0.837 nan 8.190 nan 0.000 0.466 132 V N 7.638 127.525 119.914 -0.045 0.000 2.370 132 V HA 0.578 4.698 4.120 -0.000 0.000 0.283 132 V C 0.164 176.227 176.094 -0.052 0.000 1.023 132 V CA 0.054 62.330 62.300 -0.039 0.000 0.857 132 V CB 1.431 33.228 31.823 -0.043 0.000 0.985 132 V HN 1.037 nan 8.190 nan 0.000 0.443 133 V N 2.823 122.702 119.914 -0.057 0.000 2.960 133 V HA 1.077 5.197 4.120 -0.000 0.000 0.315 133 V C -0.327 175.694 176.094 -0.123 0.000 1.087 133 V CA -0.456 61.786 62.300 -0.097 0.000 0.982 133 V CB 2.016 33.766 31.823 -0.120 0.000 1.039 133 V HN 1.388 nan 8.190 nan 0.000 0.437 134 A N 2.202 124.914 122.820 -0.180 0.000 2.530 134 A HA 0.897 5.216 4.320 -0.000 0.000 0.297 134 A C 0.023 177.443 177.584 -0.274 0.000 1.059 134 A CA 0.138 52.056 52.037 -0.198 0.000 0.782 134 A CB 0.677 19.612 19.000 -0.109 0.000 1.301 134 A HN 2.953 nan 8.150 nan 0.000 0.394 135 G N 0.234 108.795 108.800 -0.400 0.000 2.692 135 G HA2 0.390 4.350 3.960 -0.000 0.000 0.686 135 G HA3 0.390 4.350 3.960 -0.000 0.000 0.686 135 G C -0.928 173.578 174.900 -0.655 0.000 1.243 135 G CA -0.350 44.532 45.100 -0.362 0.000 0.782 135 G HN 1.504 nan 8.290 nan 0.000 0.625 136 F N -0.305 119.648 119.950 0.005 0.000 2.620 136 F HA 0.684 5.211 4.527 -0.000 0.000 0.320 136 F C 0.454 176.258 175.800 0.006 0.000 1.069 136 F CA -0.801 57.202 58.000 0.005 0.000 0.953 136 F CB 2.023 41.026 39.000 0.005 0.000 1.322 136 F HN 0.689 nan 8.300 nan 0.000 0.479 137 Q N 0.747 120.671 119.800 0.207 0.000 2.288 137 Q HA 0.555 4.895 4.340 -0.000 0.000 0.254 137 Q C -0.413 175.651 176.000 0.107 0.000 0.932 137 Q CA -0.459 55.413 55.803 0.116 0.000 0.902 137 Q CB 1.380 30.167 28.738 0.081 0.000 1.203 137 Q HN 0.904 nan 8.270 nan 0.000 0.415 138 G N 2.346 111.191 108.800 0.076 0.000 2.343 138 G HA2 0.643 4.603 3.960 -0.000 0.000 0.319 138 G HA3 0.643 4.603 3.960 -0.000 0.000 0.319 138 G C -0.736 174.186 174.900 0.035 0.000 1.126 138 G CA 0.130 45.262 45.100 0.054 0.000 0.889 138 G HN 0.744 nan 8.290 nan 0.000 0.457 145 L N 0.866 122.104 121.223 0.025 0.000 2.438 145 L HA 0.783 5.123 4.340 -0.000 0.000 0.270 145 L C 0.727 177.615 176.870 0.031 0.000 0.972 145 L CA -0.393 54.463 54.840 0.027 0.000 0.831 145 L CB 1.187 43.264 42.059 0.031 0.000 1.273 145 L HN 0.951 nan 8.230 nan 0.000 0.405 146 E N 2.131 122.346 120.200 0.024 0.000 2.106 146 E HA 0.082 4.432 4.350 -0.000 0.000 0.192 146 E C 0.054 176.668 176.600 0.025 0.000 0.984 146 E CA 1.617 58.031 56.400 0.023 0.000 0.806 146 E CB 0.407 30.115 29.700 0.014 0.000 0.750 146 E HN 0.741 nan 8.360 nan 0.000 0.458 147 I N 0.694 121.277 120.570 0.022 0.000 2.548 147 I HA 0.182 4.352 4.170 -0.000 0.000 0.287 147 I C -0.431 175.704 176.117 0.029 0.000 1.103 147 I CA -0.582 60.728 61.300 0.017 0.000 1.049 147 I CB 2.248 40.244 38.000 -0.007 0.000 1.232 147 I HN -0.168 nan 8.210 nan 0.000 0.429 148 T N 0.442 115.028 114.554 0.055 0.000 2.864 148 T HA 0.714 5.064 4.350 -0.000 0.000 0.299 148 T C -0.183 174.576 174.700 0.099 0.000 1.166 148 T CA -0.728 61.411 62.100 0.066 0.000 1.007 148 T CB 2.099 71.011 68.868 0.073 0.000 1.219 148 T HN 0.596 nan 8.240 nan 0.000 0.506 149 T N -0.706 113.901 114.554 0.089 0.000 2.910 149 T HA 0.582 4.931 4.350 -0.000 0.000 0.279 149 T C 1.022 175.804 174.700 0.137 0.000 0.989 149 T CA -1.139 61.032 62.100 0.118 0.000 0.968 149 T CB 0.666 69.573 68.868 0.066 0.000 1.135 149 T HN 0.553 nan 8.240 nan 0.000 0.562 150 L N 0.521 121.833 121.223 0.149 0.000 2.567 150 L HA 0.455 4.795 4.340 -0.000 0.000 0.225 150 L C 1.483 178.394 176.870 0.068 0.000 1.119 150 L CA 0.290 55.195 54.840 0.109 0.000 0.871 150 L CB -0.840 41.290 42.059 0.118 0.000 1.036 150 L HN 1.201 nan 8.230 nan 0.000 0.459 151 G N -0.482 108.349 108.800 0.051 0.000 2.352 151 G HA2 -0.132 3.827 3.960 -0.000 0.000 0.324 151 G HA3 -0.132 3.827 3.960 -0.000 0.000 0.324 151 G C 0.507 175.399 174.900 -0.014 0.000 1.249 151 G CA -0.121 44.992 45.100 0.021 0.000 1.053 151 G HN 0.011 nan 8.290 nan 0.000 0.492 152 R N -0.552 119.920 120.500 -0.047 0.000 2.103 152 R HA 0.159 4.499 4.340 -0.000 0.000 0.234 152 R C 2.890 179.090 176.300 -0.168 0.000 1.132 152 R CA 3.038 59.085 56.100 -0.089 0.000 0.925 152 R CB -1.422 28.822 30.300 -0.092 0.000 0.842 152 R HN 2.392 nan 8.270 nan 0.000 0.430 153 G N -0.470 108.107 108.800 -0.372 0.000 3.383 153 G HA2 0.332 4.292 3.960 -0.000 0.000 0.251 153 G HA3 0.332 4.292 3.960 -0.000 0.000 0.251 153 G C 1.417 176.210 174.900 -0.179 0.000 1.203 153 G CA 0.695 45.428 45.100 -0.612 0.000 0.852 153 G HN 0.777 nan 8.290 nan 0.000 0.531 154 G N 0.898 109.672 108.800 -0.042 0.000 2.422 154 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.218 154 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.218 154 G C 1.926 176.889 174.900 0.106 0.000 1.140 154 G CA 1.257 46.403 45.100 0.077 0.000 0.775 154 G HN 0.411 nan 8.290 nan 0.000 0.545 155 S N 1.191 116.931 115.700 0.066 0.000 2.348 155 S HA -0.110 4.360 4.470 -0.000 0.000 0.221 155 S C 1.988 176.639 174.600 0.085 0.000 1.033 155 S CA 1.378 59.622 58.200 0.074 0.000 1.010 155 S CB -0.301 62.932 63.200 0.054 0.000 0.891 155 S HN 0.353 nan 8.310 nan 0.000 0.442 156 D N 1.259 121.712 120.400 0.088 0.000 2.104 156 D HA -0.077 4.563 4.640 -0.000 0.000 0.194 156 D C 2.100 178.465 176.300 0.109 0.000 0.994 156 D CA 1.393 55.452 54.000 0.098 0.000 0.830 156 D CB -0.831 40.051 40.800 0.136 0.000 0.959 156 D HN 0.305 nan 8.370 nan 0.000 0.452 157 T N 0.329 114.977 114.554 0.156 0.000 2.777 157 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 157 T C 2.191 176.946 174.700 0.090 0.000 1.040 157 T CA 1.223 63.395 62.100 0.120 0.000 1.141 157 T CB -0.150 68.808 68.868 0.150 0.000 0.868 157 T HN 0.033 nan 8.240 nan 0.000 0.444 158 S N 1.408 117.191 115.700 0.139 0.000 2.359 158 S HA -0.091 4.378 4.470 -0.000 0.000 0.224 158 S C 2.555 177.235 174.600 0.134 0.000 1.035 158 S CA 1.078 59.402 58.200 0.207 0.000 1.018 158 S CB -0.596 62.790 63.200 0.311 0.000 0.876 158 S HN 0.595 nan 8.310 nan 0.000 0.448 159 A N 1.190 124.064 122.820 0.090 0.000 1.865 159 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 159 A C 2.383 179.983 177.584 0.026 0.000 1.191 159 A CA 1.789 53.856 52.037 0.049 0.000 0.623 159 A CB -1.060 17.961 19.000 0.034 0.000 0.826 159 A HN 0.339 nan 8.150 nan 0.000 0.444 160 V N -0.128 119.800 119.914 0.024 0.000 2.295 160 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 160 V C 3.084 179.159 176.094 -0.032 0.000 1.049 160 V CA 1.990 64.293 62.300 0.004 0.000 1.024 160 V CB -1.322 30.510 31.823 0.016 0.000 0.648 160 V HN 0.636 nan 8.190 nan 0.000 0.447 161 A N -0.557 122.239 122.820 -0.040 0.000 1.948 161 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 161 A C 2.244 179.782 177.584 -0.078 0.000 1.177 161 A CA 2.044 54.020 52.037 -0.101 0.000 0.636 161 A CB -0.538 18.406 19.000 -0.093 0.000 0.815 161 A HN 0.515 nan 8.150 nan 0.000 0.449 162 L N -1.221 119.996 121.223 -0.011 0.000 2.044 162 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 162 L C 3.131 179.978 176.870 -0.039 0.000 1.075 162 L CA 0.965 55.804 54.840 -0.002 0.000 0.747 162 L CB -0.515 41.562 42.059 0.029 0.000 0.903 162 L HN 0.428 nan 8.230 nan 0.000 0.435 163 A N -0.013 122.783 122.820 -0.039 0.000 1.940 163 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 163 A C 2.474 180.032 177.584 -0.043 0.000 1.176 163 A CA 1.904 53.914 52.037 -0.045 0.000 0.631 163 A CB -0.741 18.241 19.000 -0.030 0.000 0.814 163 A HN 0.448 nan 8.150 nan 0.000 0.446 164 A N -0.137 122.639 122.820 -0.073 0.000 1.858 164 A HA 0.142 4.462 4.320 -0.000 0.000 0.216 164 A C 2.531 180.062 177.584 -0.087 0.000 1.190 164 A CA 2.234 54.204 52.037 -0.111 0.000 0.617 164 A CB -1.143 17.652 19.000 -0.342 0.000 0.827 164 A HN 1.160 nan 8.150 nan 0.000 0.443 165 A N -0.704 122.059 122.820 -0.095 0.000 2.019 165 A HA 0.058 4.377 4.320 -0.000 0.000 0.219 165 A C 1.910 179.505 177.584 0.018 0.000 1.164 165 A CA 1.419 53.431 52.037 -0.041 0.000 0.644 165 A CB -0.469 18.511 19.000 -0.034 0.000 0.805 165 A HN 0.478 nan 8.150 nan 0.000 0.449 166 L N -1.581 119.635 121.223 -0.012 0.000 2.607 166 L HA 0.098 4.438 4.340 -0.000 0.000 0.228 166 L C 0.006 176.889 176.870 0.022 0.000 1.123 166 L CA -0.223 54.603 54.840 -0.023 0.000 0.890 166 L CB 0.067 42.034 42.059 -0.152 0.000 1.103 166 L HN 0.123 nan 8.230 nan 0.000 0.468 167 K N 0.164 120.579 120.400 0.025 0.000 3.150 167 K HA -0.167 4.152 4.320 -0.000 0.000 0.267 167 K C 0.244 176.850 176.600 0.010 0.000 1.028 167 K CA 0.817 57.125 56.287 0.035 0.000 0.753 167 K CB -1.970 30.567 32.500 0.060 0.000 1.288 167 K HN 0.334 nan 8.250 nan 0.000 0.473 168 A N 0.667 123.474 122.820 -0.021 0.000 2.445 168 A HA 0.151 4.471 4.320 -0.000 0.000 0.242 168 A C 1.386 178.952 177.584 -0.030 0.000 1.075 168 A CA 0.043 52.043 52.037 -0.062 0.000 0.777 168 A CB 0.343 19.282 19.000 -0.102 0.000 1.013 168 A HN 0.277 nan 8.150 nan 0.000 0.493 169 D N 0.132 120.491 120.400 -0.069 0.000 2.144 169 D HA 0.076 4.716 4.640 -0.000 0.000 0.200 169 D C 0.250 176.696 176.300 0.243 0.000 0.978 169 D CA 2.039 56.082 54.000 0.071 0.000 0.833 169 D CB -0.101 40.758 40.800 0.099 0.000 0.961 169 D HN 0.616 nan 8.370 nan 0.000 0.470 170 F N -1.829 118.123 119.950 0.003 0.000 2.877 170 F HA 0.474 5.001 4.527 -0.000 0.000 0.319 170 F C -1.308 174.486 175.800 -0.009 0.000 1.174 170 F CA -1.599 56.398 58.000 -0.004 0.000 0.903 170 F CB 1.523 40.517 39.000 -0.010 0.000 1.357 170 F HN -0.203 nan 8.300 nan 0.000 0.472 171 C N 1.076 120.484 119.300 0.179 0.000 2.481 171 C HA 0.678 5.138 4.460 -0.000 0.000 0.324 171 C C -1.350 173.684 174.990 0.074 0.000 1.170 171 C CA -0.018 59.032 59.018 0.053 0.000 1.361 171 C CB 0.893 28.647 27.740 0.024 0.000 1.977 171 C HN 0.845 nan 8.230 nan 0.000 0.459 172 E N 5.757 125.966 120.200 0.016 0.000 2.158 172 E HA 0.503 4.852 4.350 -0.000 0.000 0.271 172 E C -0.722 175.732 176.600 -0.243 0.000 0.911 172 E CA -0.594 55.731 56.400 -0.124 0.000 0.767 172 E CB 1.580 31.209 29.700 -0.119 0.000 1.120 172 E HN 0.556 nan 8.360 nan 0.000 0.405 173 I N 3.636 124.022 120.570 -0.306 0.000 2.307 173 I HA 0.233 4.403 4.170 -0.000 0.000 0.289 173 I C -0.594 175.306 176.117 -0.361 0.000 1.021 173 I CA -0.589 60.568 61.300 -0.238 0.000 1.224 173 I CB -0.269 37.664 38.000 -0.111 0.000 1.376 173 I HN 0.490 nan 8.210 nan 0.000 0.470 174 Y N 4.382 124.524 120.300 -0.264 0.000 2.334 174 Y HA 0.546 5.096 4.550 -0.000 0.000 0.328 174 Y C 0.926 176.825 175.900 -0.002 0.000 1.130 174 Y CA -0.009 57.978 58.100 -0.188 0.000 1.163 174 Y CB 1.831 40.023 38.460 -0.446 0.000 1.207 174 Y HN 0.588 nan 8.280 nan 0.000 0.471 175 T N 0.063 114.773 114.554 0.260 0.000 2.693 175 T HA 0.176 4.526 4.350 -0.000 0.000 0.304 175 T C -1.560 173.415 174.700 0.458 0.000 1.471 175 T CA -0.949 61.326 62.100 0.291 0.000 0.993 175 T CB 0.873 69.835 68.868 0.156 0.000 1.554 175 T HN 0.630 nan 8.240 nan 0.000 0.496 176 D N 1.754 122.392 120.400 0.397 0.000 2.994 176 D HA 0.448 5.088 4.640 -0.000 0.000 0.240 176 D C -0.247 176.088 176.300 0.059 0.000 1.195 176 D CA -0.227 53.897 54.000 0.207 0.000 0.957 176 D CB -0.144 40.560 40.800 -0.159 0.000 1.105 176 D HN 0.294 nan 8.370 nan 0.000 0.477 177 V N 0.883 120.873 119.914 0.128 0.000 2.950 177 V HA 0.144 4.264 4.120 -0.000 0.000 0.295 177 V C -2.079 174.063 176.094 0.079 0.000 1.297 177 V CA -1.375 60.963 62.300 0.063 0.000 0.962 177 V CB 2.949 34.796 31.823 0.040 0.000 1.081 177 V HN -0.100 nan 8.190 nan 0.000 0.432 178 P HA 0.184 nan 4.420 nan 0.000 0.223 178 P C 0.640 177.955 177.300 0.024 0.000 1.151 178 P CA 1.677 64.808 63.100 0.052 0.000 0.787 178 P CB 0.280 32.002 31.700 0.037 0.000 0.788 179 G N -1.484 107.324 108.800 0.014 0.000 2.403 179 G HA2 0.138 4.098 3.960 -0.000 0.000 0.223 179 G HA3 0.138 4.098 3.960 -0.000 0.000 0.223 179 G C -1.794 173.104 174.900 -0.003 0.000 1.287 179 G CA -0.706 44.391 45.100 -0.005 0.000 0.982 179 G HN -0.127 nan 8.290 nan 0.000 0.471 180 I N 1.986 122.550 120.570 -0.009 0.000 2.336 180 I HA 0.497 4.666 4.170 -0.000 0.000 0.292 180 I C 0.485 176.602 176.117 -0.001 0.000 0.991 180 I CA -0.399 60.898 61.300 -0.006 0.000 1.227 180 I CB 0.593 38.585 38.000 -0.013 0.000 1.366 180 I HN 0.382 nan 8.210 nan 0.000 0.466 181 L N 4.621 125.848 121.223 0.006 0.000 2.416 181 L HA 0.340 4.680 4.340 -0.000 0.000 0.262 181 L C 1.759 178.648 176.870 0.030 0.000 1.093 181 L CA -0.443 54.408 54.840 0.018 0.000 0.801 181 L CB 1.075 43.143 42.059 0.014 0.000 1.191 181 L HN 0.700 nan 8.230 nan 0.000 0.459 182 T N -3.751 110.845 114.554 0.070 0.000 2.962 182 T HA -0.037 4.313 4.350 -0.000 0.000 0.270 182 T C 0.729 175.509 174.700 0.134 0.000 1.088 182 T CA 1.060 63.223 62.100 0.105 0.000 1.127 182 T CB 0.008 68.990 68.868 0.191 0.000 0.883 182 T HN 0.688 nan 8.240 nan 0.000 0.493 183 T N -0.049 114.562 114.554 0.095 0.000 2.658 183 T HA 0.301 4.651 4.350 -0.000 0.000 0.306 183 T C -2.223 172.467 174.700 -0.016 0.000 1.544 183 T CA -0.692 61.431 62.100 0.039 0.000 0.991 183 T CB 1.314 70.214 68.868 0.054 0.000 1.774 183 T HN 0.093 nan 8.240 nan 0.000 0.479 184 D N 1.545 121.929 120.400 -0.028 0.000 2.344 184 D HA 0.315 4.955 4.640 -0.000 0.000 0.253 184 D C -1.554 174.712 176.300 -0.056 0.000 1.255 184 D CA -1.941 52.041 54.000 -0.031 0.000 0.894 184 D CB 1.499 42.288 40.800 -0.018 0.000 1.067 184 D HN 0.110 nan 8.370 nan 0.000 0.492 185 P HA -0.129 nan 4.420 nan 0.000 0.218 185 P C 1.162 178.431 177.300 -0.051 0.000 1.148 185 P CA 0.994 64.060 63.100 -0.057 0.000 0.822 185 P CB 0.190 31.867 31.700 -0.037 0.000 0.784 186 R N -0.843 119.635 120.500 -0.037 0.000 2.200 186 R HA -0.049 4.291 4.340 -0.000 0.000 0.234 186 R C 1.880 178.161 176.300 -0.032 0.000 1.127 186 R CA 1.032 57.115 56.100 -0.029 0.000 0.989 186 R CB -0.554 29.734 30.300 -0.020 0.000 0.869 186 R HN 0.305 nan 8.270 nan 0.000 0.459 187 L N -1.088 120.110 121.223 -0.042 0.000 2.609 187 L HA 0.186 4.526 4.340 -0.000 0.000 0.230 187 L C 0.126 176.956 176.870 -0.066 0.000 1.064 187 L CA 0.067 54.883 54.840 -0.041 0.000 0.873 187 L CB 0.871 42.913 42.059 -0.028 0.000 1.139 187 L HN -0.171 nan 8.230 nan 0.000 0.490 188 V N 0.836 120.684 119.914 -0.110 0.000 2.454 188 V HA 0.222 4.342 4.120 -0.000 0.000 0.267 188 V C -1.863 174.133 176.094 -0.163 0.000 0.993 188 V CA -0.747 61.449 62.300 -0.175 0.000 0.836 188 V CB 1.363 32.973 31.823 -0.355 0.000 1.055 188 V HN -0.086 nan 8.190 nan 0.000 0.452 189 P HA -0.133 nan 4.420 nan 0.000 0.218 189 P C 0.985 178.253 177.300 -0.054 0.000 1.146 189 P CA 1.090 64.154 63.100 -0.061 0.000 0.813 189 P CB 0.345 32.023 31.700 -0.037 0.000 0.778 190 E N -0.545 119.616 120.200 -0.064 0.000 2.512 190 E HA 0.158 4.508 4.350 -0.000 0.000 0.195 190 E C 0.720 177.332 176.600 0.020 0.000 1.083 190 E CA -0.055 56.340 56.400 -0.008 0.000 0.873 190 E CB -0.872 28.850 29.700 0.036 0.000 0.897 190 E HN 0.171 nan 8.360 nan 0.000 0.514 191 A N 1.340 124.112 122.820 -0.080 0.000 2.566 191 A HA -0.045 4.275 4.320 -0.000 0.000 0.245 191 A C 0.274 177.894 177.584 0.059 0.000 1.056 191 A CA 0.251 52.280 52.037 -0.013 0.000 0.757 191 A CB 0.018 18.976 19.000 -0.070 0.000 0.979 191 A HN 0.222 nan 8.150 nan 0.000 0.508 192 Q N 1.292 121.159 119.800 0.112 0.000 2.226 192 Q HA 0.554 4.893 4.340 -0.000 0.000 0.256 192 Q C -1.010 175.015 176.000 0.042 0.000 0.962 192 Q CA -0.964 54.879 55.803 0.065 0.000 0.887 192 Q CB 1.289 30.065 28.738 0.064 0.000 1.282 192 Q HN 0.711 nan 8.270 nan 0.000 0.449 193 L N 3.505 124.742 121.223 0.023 0.000 2.313 193 L HA 0.283 4.623 4.340 -0.000 0.000 0.282 193 L C -0.606 176.266 176.870 0.003 0.000 1.092 193 L CA 0.578 55.425 54.840 0.012 0.000 0.831 193 L CB 0.606 42.671 42.059 0.009 0.000 1.159 193 L HN 0.739 nan 8.230 nan 0.000 0.442 194 M N 4.846 124.444 119.600 -0.003 0.000 2.228 194 M HA 0.176 4.656 4.480 -0.000 0.000 0.351 194 M C 1.278 177.565 176.300 -0.022 0.000 1.233 194 M CA 0.275 55.566 55.300 -0.016 0.000 1.129 194 M CB 1.043 33.629 32.600 -0.022 0.000 1.604 194 M HN 0.850 nan 8.290 nan 0.000 0.457 195 A N 3.465 126.269 122.820 -0.026 0.000 1.874 195 A HA 0.068 4.387 4.320 -0.000 0.000 0.214 195 A C 0.687 178.247 177.584 -0.041 0.000 1.189 195 A CA 1.062 53.080 52.037 -0.032 0.000 0.615 195 A CB 0.191 19.173 19.000 -0.031 0.000 0.830 195 A HN 0.826 nan 8.150 nan 0.000 0.443 196 E N -1.337 118.837 120.200 -0.042 0.000 2.288 196 E HA 0.680 5.030 4.350 -0.000 0.000 0.268 196 E C -1.688 174.884 176.600 -0.048 0.000 0.885 196 E CA -0.475 55.897 56.400 -0.047 0.000 0.767 196 E CB 2.297 31.968 29.700 -0.048 0.000 1.220 196 E HN 0.365 nan 8.360 nan 0.000 0.427 197 I N 1.182 121.724 120.570 -0.047 0.000 2.827 197 I HA 0.252 4.422 4.170 -0.000 0.000 0.298 197 I C -0.532 175.556 176.117 -0.047 0.000 1.235 197 I CA -0.444 60.827 61.300 -0.050 0.000 1.021 197 I CB 2.243 40.215 38.000 -0.046 0.000 1.259 197 I HN 0.628 nan 8.210 nan 0.000 0.427 198 T N 2.175 116.699 114.554 -0.051 0.000 2.904 198 T HA 0.178 4.527 4.350 -0.000 0.000 0.290 198 T C 1.278 175.953 174.700 -0.041 0.000 1.018 198 T CA -0.492 61.580 62.100 -0.046 0.000 1.075 198 T CB 1.239 70.076 68.868 -0.050 0.000 0.986 198 T HN 0.787 nan 8.240 nan 0.000 0.523 199 C N 1.613 120.892 119.300 -0.035 0.000 2.376 199 C HA -0.113 4.347 4.460 -0.000 0.000 0.275 199 C C 2.625 177.592 174.990 -0.037 0.000 1.200 199 C CA 1.089 60.088 59.018 -0.031 0.000 1.756 199 C CB -1.213 26.512 27.740 -0.025 0.000 2.050 199 C HN 0.938 nan 8.230 nan 0.000 0.460 200 D N 0.205 120.580 120.400 -0.042 0.000 2.117 200 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 200 D C 2.119 178.389 176.300 -0.050 0.000 0.987 200 D CA 1.193 55.165 54.000 -0.046 0.000 0.829 200 D CB -0.506 40.266 40.800 -0.047 0.000 0.961 200 D HN 0.635 nan 8.370 nan 0.000 0.460 201 E N -0.144 120.023 120.200 -0.055 0.000 2.077 201 E HA -0.173 4.176 4.350 -0.000 0.000 0.193 201 E C 1.951 178.520 176.600 -0.053 0.000 0.989 201 E CA 0.700 57.062 56.400 -0.063 0.000 0.800 201 E CB -0.084 29.573 29.700 -0.072 0.000 0.746 201 E HN 0.103 nan 8.360 nan 0.000 0.452 202 M N 0.712 120.285 119.600 -0.044 0.000 2.159 202 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 202 M C 1.807 178.089 176.300 -0.030 0.000 1.063 202 M CA 1.428 56.708 55.300 -0.034 0.000 1.110 202 M CB -0.051 32.532 32.600 -0.029 0.000 1.374 202 M HN 0.044 nan 8.290 nan 0.000 0.411 203 L N -0.704 120.498 121.223 -0.035 0.000 2.027 203 L HA -0.165 4.174 4.340 -0.000 0.000 0.206 203 L C 2.352 179.203 176.870 -0.032 0.000 1.074 203 L CA 1.051 55.870 54.840 -0.034 0.000 0.745 203 L CB -0.884 41.151 42.059 -0.040 0.000 0.898 203 L HN 0.243 nan 8.230 nan 0.000 0.433 204 E N 0.192 120.369 120.200 -0.038 0.000 2.268 204 E HA -0.076 4.274 4.350 -0.000 0.000 0.195 204 E C 1.598 178.179 176.600 -0.032 0.000 0.995 204 E CA 0.895 57.273 56.400 -0.036 0.000 0.836 204 E CB 0.093 29.765 29.700 -0.047 0.000 0.763 204 E HN 0.474 nan 8.360 nan 0.000 0.491 205 L N 0.345 121.548 121.223 -0.034 0.000 2.984 205 L HA 0.261 4.601 4.340 -0.000 0.000 0.246 205 L C 1.779 178.641 176.870 -0.014 0.000 1.268 205 L CA -0.268 54.556 54.840 -0.027 0.000 1.054 205 L CB 0.125 42.162 42.059 -0.037 0.000 1.393 205 L HN -0.054 nan 8.230 nan 0.000 0.532 206 A N 0.677 123.492 122.820 -0.009 0.000 1.954 206 A HA -0.343 3.977 4.320 -0.000 0.000 0.222 206 A C 2.542 180.132 177.584 0.011 0.000 1.199 206 A CA 2.612 54.650 52.037 0.002 0.000 0.657 206 A CB -0.671 18.332 19.000 0.006 0.000 0.823 206 A HN 0.600 nan 8.150 nan 0.000 0.463 207 S N -0.897 114.809 115.700 0.010 0.000 2.399 207 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 207 S C 1.597 176.203 174.600 0.011 0.000 1.022 207 S CA 1.536 59.744 58.200 0.014 0.000 0.983 207 S CB -0.487 62.722 63.200 0.015 0.000 0.803 207 S HN 0.246 nan 8.310 nan 0.000 0.480 208 L N 1.722 122.948 121.223 0.005 0.000 2.456 208 L HA 0.231 4.571 4.340 -0.000 0.000 0.224 208 L C 2.158 179.031 176.870 0.005 0.000 1.148 208 L CA 1.227 56.068 54.840 0.003 0.000 0.825 208 L CB -1.168 40.889 42.059 -0.003 0.000 0.937 208 L HN 0.605 nan 8.230 nan 0.000 0.450 209 G N -3.011 105.795 108.800 0.009 0.000 3.519 209 G HA2 0.298 4.258 3.960 -0.000 0.000 0.269 209 G HA3 0.298 4.258 3.960 -0.000 0.000 0.269 209 G C 1.505 176.419 174.900 0.025 0.000 1.028 209 G CA 0.467 45.576 45.100 0.015 0.000 0.809 209 G HN 0.304 nan 8.290 nan 0.000 0.521 210 A N 2.078 124.912 122.820 0.023 0.000 1.883 210 A HA -0.223 4.097 4.320 -0.000 0.000 0.222 210 A C 1.940 179.542 177.584 0.031 0.000 1.339 210 A CA 2.134 54.188 52.037 0.028 0.000 0.692 210 A CB -0.345 18.668 19.000 0.022 0.000 0.845 210 A HN 0.374 nan 8.150 nan 0.000 0.467 211 K N -1.214 119.201 120.400 0.025 0.000 2.437 211 K HA 0.364 4.684 4.320 -0.000 0.000 0.205 211 K C 0.862 177.481 176.600 0.030 0.000 1.026 211 K CA 0.535 56.837 56.287 0.024 0.000 1.153 211 K CB 0.746 33.257 32.500 0.018 0.000 0.863 211 K HN 0.385 nan 8.250 nan 0.000 0.502 212 V N -0.383 119.550 119.914 0.033 0.000 3.090 212 V HA 0.332 4.452 4.120 -0.000 0.000 0.237 212 V C -0.253 175.865 176.094 0.039 0.000 1.209 212 V CA 0.172 62.494 62.300 0.036 0.000 1.209 212 V CB 0.457 32.297 31.823 0.028 0.000 0.971 212 V HN 0.240 nan 8.190 nan 0.000 0.477 213 L N -1.109 120.141 121.223 0.046 0.000 2.540 213 L HA 0.602 4.942 4.340 -0.000 0.000 0.256 213 L C -0.859 176.082 176.870 0.119 0.000 1.001 213 L CA -0.855 54.027 54.840 0.070 0.000 0.843 213 L CB 1.643 43.730 42.059 0.046 0.000 1.436 213 L HN 0.223 nan 8.230 nan 0.000 0.410 214 H N 1.952 121.029 119.070 0.010 0.000 2.723 214 H HA 0.283 4.839 4.556 -0.000 0.000 0.294 214 H C -1.959 173.374 175.328 0.008 0.000 1.079 214 H CA -1.839 54.216 56.048 0.012 0.000 1.411 214 H CB 1.806 31.579 29.762 0.018 0.000 1.439 214 H HN 0.533 nan 8.280 nan 0.000 0.474 215 P HA -0.243 nan 4.420 nan 0.000 0.216 215 P C 1.494 178.672 177.300 -0.205 0.000 1.154 215 P CA 1.382 64.421 63.100 -0.101 0.000 0.865 215 P CB 0.121 31.780 31.700 -0.068 0.000 0.789 216 R N -0.278 119.945 120.500 -0.462 0.000 2.127 216 R HA -0.111 4.229 4.340 -0.000 0.000 0.238 216 R C 2.006 178.185 176.300 -0.201 0.000 1.134 216 R CA 1.739 57.614 56.100 -0.375 0.000 0.975 216 R CB -0.918 29.056 30.300 -0.544 0.000 0.865 216 R HN 0.105 nan 8.270 nan 0.000 0.447 217 A N -0.143 122.575 122.820 -0.169 0.000 1.898 217 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 217 A C 2.220 179.796 177.584 -0.014 0.000 1.183 217 A CA 1.180 53.197 52.037 -0.033 0.000 0.622 217 A CB -0.756 18.268 19.000 0.040 0.000 0.824 217 A HN 0.267 nan 8.150 nan 0.000 0.444 218 V N 0.355 120.254 119.914 -0.025 0.000 2.490 218 V HA -0.236 3.884 4.120 -0.000 0.000 0.250 218 V C 2.153 178.239 176.094 -0.013 0.000 1.061 218 V CA 2.839 65.131 62.300 -0.014 0.000 1.064 218 V CB -0.391 31.421 31.823 -0.018 0.000 0.670 218 V HN 0.767 nan 8.190 nan 0.000 0.461 219 E N -0.391 119.791 120.200 -0.030 0.000 2.152 219 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 219 E C 2.095 178.706 176.600 0.019 0.000 0.983 219 E CA 1.601 57.988 56.400 -0.022 0.000 0.818 219 E CB -0.236 29.436 29.700 -0.046 0.000 0.758 219 E HN 0.738 nan 8.360 nan 0.000 0.467 220 I N 0.997 121.592 120.570 0.042 0.000 2.252 220 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 220 I C 2.581 178.810 176.117 0.188 0.000 1.102 220 I CA 0.955 62.337 61.300 0.137 0.000 1.385 220 I CB -0.292 37.758 38.000 0.083 0.000 1.064 220 I HN 0.182 nan 8.210 nan 0.000 0.414 221 A N 0.807 123.686 122.820 0.098 0.000 1.883 221 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 221 A C 2.455 180.086 177.584 0.080 0.000 1.186 221 A CA 1.983 54.075 52.037 0.091 0.000 0.624 221 A CB -0.743 18.286 19.000 0.048 0.000 0.822 221 A HN 0.358 nan 8.150 nan 0.000 0.444 222 R N -0.415 120.107 120.500 0.038 0.000 2.083 222 R HA -0.185 4.154 4.340 -0.000 0.000 0.237 222 R C 1.557 177.846 176.300 -0.018 0.000 1.137 222 R CA 1.914 58.016 56.100 0.004 0.000 0.951 222 R CB -0.364 29.925 30.300 -0.018 0.000 0.851 222 R HN 0.518 nan 8.270 nan 0.000 0.434 223 N N -0.449 118.234 118.700 -0.029 0.000 2.396 223 N HA -0.131 4.608 4.740 -0.000 0.000 0.180 223 N C 0.359 175.640 175.510 -0.381 0.000 1.028 223 N CA 1.075 54.008 53.050 -0.195 0.000 0.893 223 N CB 0.024 38.368 38.487 -0.239 0.000 0.967 223 N HN 0.376 nan 8.380 nan 0.000 0.440 224 Y N -0.955 119.341 120.300 -0.005 0.000 2.584 224 Y HA 0.348 4.897 4.550 -0.000 0.000 0.254 224 Y C 1.310 177.213 175.900 0.006 0.000 1.177 224 Y CA -0.337 57.764 58.100 0.001 0.000 1.216 224 Y CB 0.337 38.799 38.460 0.002 0.000 1.172 224 Y HN -0.038 nan 8.280 nan 0.000 0.529 225 G N 1.503 110.354 108.800 0.086 0.000 2.273 225 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.280 225 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.280 225 G C -0.234 174.714 174.900 0.079 0.000 1.047 225 G CA -0.040 45.095 45.100 0.059 0.000 0.869 225 G HN 0.212 nan 8.290 nan 0.000 0.502 226 I N 0.868 121.494 120.570 0.093 0.000 2.301 226 I HA 0.248 4.417 4.170 -0.000 0.000 0.292 226 I C -1.829 174.333 176.117 0.075 0.000 1.046 226 I CA -2.828 58.525 61.300 0.088 0.000 1.282 226 I CB 0.662 38.712 38.000 0.082 0.000 1.409 226 I HN -0.102 nan 8.210 nan 0.000 0.484 227 P HA 0.244 nan 4.420 nan 0.000 0.268 227 P C -0.462 176.892 177.300 0.090 0.000 1.204 227 P CA 0.017 63.163 63.100 0.077 0.000 0.768 227 P CB 0.862 32.623 31.700 0.101 0.000 0.842 228 L N 2.733 123.978 121.223 0.037 0.000 2.341 228 L HA 0.653 4.993 4.340 -0.000 0.000 0.267 228 L C -0.825 176.034 176.870 -0.019 0.000 1.009 228 L CA -1.125 53.727 54.840 0.021 0.000 0.819 228 L CB 2.388 44.448 42.059 0.003 0.000 1.323 228 L HN 0.049 nan 8.230 nan 0.000 0.425 229 V N 2.467 122.353 119.914 -0.046 0.000 2.655 229 V HA 0.281 4.401 4.120 -0.000 0.000 0.301 229 V C -0.479 175.518 176.094 -0.161 0.000 1.082 229 V CA -0.670 61.570 62.300 -0.101 0.000 0.899 229 V CB 2.036 33.792 31.823 -0.113 0.000 1.014 229 V HN 0.361 nan 8.190 nan 0.000 0.429 230 V N 6.062 125.897 119.914 -0.131 0.000 2.368 230 V HA 0.554 4.674 4.120 -0.000 0.000 0.266 230 V C 0.323 176.328 176.094 -0.148 0.000 1.045 230 V CA -0.236 61.982 62.300 -0.136 0.000 0.899 230 V CB 0.943 32.725 31.823 -0.069 0.000 1.006 230 V HN 0.874 nan 8.190 nan 0.000 0.470 231 R N 2.460 122.821 120.500 -0.233 0.000 2.950 231 R HA 0.737 5.077 4.340 -0.000 0.000 0.253 231 R C -0.590 175.710 176.300 0.001 0.000 1.168 231 R CA -0.617 55.389 56.100 -0.157 0.000 1.014 231 R CB 1.927 32.050 30.300 -0.294 0.000 1.228 231 R HN 0.612 nan 8.270 nan 0.000 0.487 232 S N -1.032 114.757 115.700 0.150 0.000 2.537 232 S HA 0.252 4.721 4.470 -0.000 0.000 0.301 232 S C 0.294 175.132 174.600 0.397 0.000 1.092 232 S CA -0.667 57.719 58.200 0.310 0.000 1.048 232 S CB 1.679 65.057 63.200 0.296 0.000 1.053 232 S HN 0.569 nan 8.310 nan 0.000 0.501 233 S N 2.910 118.848 115.700 0.397 0.000 2.414 233 S HA 0.053 4.523 4.470 -0.000 0.000 0.227 233 S C 0.804 175.343 174.600 -0.103 0.000 1.022 233 S CA 0.249 58.463 58.200 0.024 0.000 0.958 233 S CB -0.148 62.770 63.200 -0.471 0.000 0.797 233 S HN 0.858 nan 8.310 nan 0.000 0.493 234 W N 2.774 124.139 121.300 0.108 0.000 3.433 234 W HA 0.513 5.173 4.660 -0.000 0.000 0.376 234 W C 0.814 177.372 176.519 0.065 0.000 1.160 234 W CA -0.212 57.175 57.345 0.069 0.000 1.832 234 W CB -0.535 28.957 29.460 0.053 0.000 1.011 234 W HN 0.204 nan 8.180 nan 0.000 0.766 235 S N -0.222 115.621 115.700 0.237 0.000 2.588 235 S HA 0.241 4.710 4.470 -0.000 0.000 0.269 235 S C -0.397 174.288 174.600 0.140 0.000 1.157 235 S CA -0.546 57.759 58.200 0.176 0.000 0.824 235 S CB 1.739 65.046 63.200 0.179 0.000 1.126 235 S HN 0.066 nan 8.310 nan 0.000 0.464 236 D N 1.092 121.556 120.400 0.108 0.000 2.538 236 D HA 0.186 4.826 4.640 -0.000 0.000 0.231 236 D C -0.508 175.842 176.300 0.083 0.000 1.229 236 D CA -0.154 53.905 54.000 0.099 0.000 0.828 236 D CB 0.582 41.426 40.800 0.073 0.000 1.035 236 D HN 0.439 nan 8.370 nan 0.000 0.495 237 E N 0.991 121.240 120.200 0.082 0.000 2.390 237 E HA 0.092 4.442 4.350 -0.000 0.000 0.261 237 E C -1.482 175.144 176.600 0.042 0.000 1.076 237 E CA -1.715 54.718 56.400 0.056 0.000 0.905 237 E CB 0.999 30.730 29.700 0.052 0.000 0.984 237 E HN -0.062 nan 8.360 nan 0.000 0.427 238 P HA -0.152 nan 4.420 nan 0.000 0.217 238 P C 0.498 177.783 177.300 -0.027 0.000 1.148 238 P CA 1.755 64.850 63.100 -0.008 0.000 0.828 238 P CB 0.175 31.864 31.700 -0.019 0.000 0.783 239 G N -1.927 106.863 108.800 -0.017 0.000 2.642 239 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.231 239 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.231 239 G C -0.632 174.243 174.900 -0.042 0.000 1.338 239 G CA -0.285 44.796 45.100 -0.032 0.000 0.883 239 G HN 0.167 nan 8.290 nan 0.000 0.570 240 T N 1.108 115.631 114.554 -0.052 0.000 2.770 240 T HA 0.521 4.871 4.350 -0.000 0.000 0.283 240 T C 0.345 175.008 174.700 -0.062 0.000 0.988 240 T CA -0.303 61.768 62.100 -0.049 0.000 0.957 240 T CB 1.469 70.315 68.868 -0.037 0.000 0.930 240 T HN 0.676 nan 8.240 nan 0.000 0.443 241 K N 3.376 123.738 120.400 -0.063 0.000 2.312 241 K HA 0.399 4.719 4.320 -0.000 0.000 0.287 241 K C -0.754 175.813 176.600 -0.054 0.000 1.062 241 K CA -0.467 55.779 56.287 -0.069 0.000 0.934 241 K CB 0.478 32.930 32.500 -0.079 0.000 1.027 241 K HN 0.323 nan 8.250 nan 0.000 0.478 242 V N 5.838 125.725 119.914 -0.046 0.000 2.348 242 V HA 0.168 4.287 4.120 -0.000 0.000 0.270 242 V C -0.205 175.872 176.094 -0.028 0.000 1.037 242 V CA -0.786 61.493 62.300 -0.035 0.000 0.872 242 V CB 1.190 32.997 31.823 -0.027 0.000 1.002 242 V HN 0.505 nan 8.190 nan 0.000 0.464 243 V N 4.618 124.513 119.914 -0.032 0.000 2.481 243 V HA 0.845 4.965 4.120 -0.000 0.000 0.286 243 V C 0.498 176.579 176.094 -0.022 0.000 1.042 243 V CA -0.205 62.078 62.300 -0.029 0.000 0.928 243 V CB 1.602 33.403 31.823 -0.037 0.000 0.986 243 V HN 0.962 nan 8.190 nan 0.000 0.462 244 A N 5.850 128.662 122.820 -0.014 0.000 2.387 244 A HA 1.003 5.322 4.320 -0.000 0.000 0.303 244 A C -2.812 174.764 177.584 -0.014 0.000 1.145 244 A CA -1.768 50.262 52.037 -0.011 0.000 0.801 244 A CB 1.219 20.221 19.000 0.004 0.000 1.342 244 A HN 0.686 nan 8.150 nan 0.000 0.440 245 P HA 0.411 nan 4.420 nan 0.000 0.275 245 P C -2.672 174.622 177.300 -0.011 0.000 1.227 245 P CA -1.152 61.937 63.100 -0.019 0.000 0.781 245 P CB -0.284 31.400 31.700 -0.027 0.000 0.906 246 P HA 0.082 nan 4.420 nan 0.000 0.269 246 P C -0.834 176.465 177.300 -0.002 0.000 1.252 246 P CA 0.322 63.423 63.100 0.001 0.000 0.780 246 P CB 0.235 31.935 31.700 0.001 0.000 0.829 247 V N 5.447 125.363 119.914 0.004 0.000 2.378 247 V HA 0.269 4.389 4.120 -0.000 0.000 0.288 247 V C 0.149 176.252 176.094 0.015 0.000 1.016 247 V CA -0.372 61.926 62.300 -0.004 0.000 0.840 247 V CB 1.272 33.079 31.823 -0.027 0.000 0.994 247 V HN 0.450 nan 8.190 nan 0.000 0.431 248 Q N 3.357 123.163 119.800 0.011 0.000 2.345 248 Q HA 0.504 4.844 4.340 -0.000 0.000 0.268 248 Q C 0.155 176.168 176.000 0.021 0.000 1.054 248 Q CA -0.787 55.029 55.803 0.021 0.000 0.835 248 Q CB 1.543 30.291 28.738 0.017 0.000 1.339 248 Q HN 0.719 nan 8.270 nan 0.000 0.447 249 N N 0.856 119.576 118.700 0.032 0.000 2.753 249 N HA -0.150 4.590 4.740 -0.000 0.000 0.251 249 N C -1.101 174.431 175.510 0.037 0.000 1.097 249 N CA 0.957 54.026 53.050 0.032 0.000 0.786 249 N CB -0.517 37.982 38.487 0.021 0.000 1.137 249 N HN 0.518 nan 8.380 nan 0.000 0.566 250 R N 1.012 121.542 120.500 0.049 0.000 2.254 250 R HA 0.369 4.709 4.340 -0.000 0.000 0.318 250 R C 0.528 176.906 176.300 0.129 0.000 1.031 250 R CA -0.340 55.800 56.100 0.067 0.000 0.905 250 R CB 0.720 31.035 30.300 0.024 0.000 1.050 250 R HN 0.197 nan 8.270 nan 0.000 0.456 251 S N 1.982 117.753 115.700 0.119 0.000 2.480 251 S HA 0.240 4.710 4.470 -0.000 0.000 0.286 251 S C 0.311 175.001 174.600 0.150 0.000 1.180 251 S CA -0.986 57.281 58.200 0.113 0.000 1.075 251 S CB 1.343 64.583 63.200 0.068 0.000 0.996 251 S HN 0.535 nan 8.310 nan 0.000 0.487 252 L N 5.625 126.899 121.223 0.085 0.000 2.400 252 L HA 0.168 4.508 4.340 -0.000 0.000 0.262 252 L C 0.976 177.844 176.870 -0.003 0.000 1.309 252 L CA 0.287 55.111 54.840 -0.027 0.000 1.186 252 L CB -0.997 40.909 42.059 -0.254 0.000 1.375 252 L HN 0.767 nan 8.230 nan 0.000 0.433 253 V N 3.457 123.402 119.914 0.051 0.000 2.250 253 V HA -0.166 3.954 4.120 -0.000 0.000 0.240 253 V C 1.582 177.676 176.094 0.001 0.000 1.025 253 V CA 2.026 64.345 62.300 0.031 0.000 0.999 253 V CB -1.149 30.703 31.823 0.047 0.000 0.646 253 V HN 0.835 nan 8.190 nan 0.000 0.470 254 G N -2.250 106.554 108.800 0.007 0.000 3.234 254 G HA2 0.659 4.618 3.960 -0.000 0.000 0.159 254 G HA3 0.659 4.618 3.960 -0.000 0.000 0.159 254 G C -1.251 173.634 174.900 -0.026 0.000 1.175 254 G CA -0.464 44.623 45.100 -0.022 0.000 0.900 254 G HN 0.336 nan 8.290 nan 0.000 0.621 255 L N 0.081 121.289 121.223 -0.024 0.000 4.057 255 L HA 0.157 4.497 4.340 -0.000 0.000 0.264 255 L C -1.327 175.529 176.870 -0.023 0.000 1.024 255 L CA -0.642 54.188 54.840 -0.017 0.000 1.268 255 L CB 1.970 43.981 42.059 -0.080 0.000 2.019 255 L HN 0.445 nan 8.230 nan 0.000 0.637 256 E N 4.083 124.286 120.200 0.005 0.000 2.257 256 E HA 0.168 4.518 4.350 -0.000 0.000 0.278 256 E C 0.548 177.146 176.600 -0.004 0.000 1.049 256 E CA -0.032 56.368 56.400 -0.000 0.000 0.876 256 E CB 1.257 30.966 29.700 0.015 0.000 1.035 256 E HN 0.637 nan 8.360 nan 0.000 0.419 257 I N 1.006 121.567 120.570 -0.016 0.000 4.018 257 I HA 0.338 4.508 4.170 -0.000 0.000 0.337 257 I C 0.756 176.878 176.117 0.008 0.000 1.327 257 I CA 0.017 61.309 61.300 -0.013 0.000 1.100 257 I CB 0.636 38.617 38.000 -0.032 0.000 1.025 257 I HN 0.271 nan 8.210 nan 0.000 0.396 258 A N 0.829 123.656 122.820 0.012 0.000 2.610 258 A HA 0.358 4.677 4.320 -0.000 0.000 0.291 258 A C 0.316 177.915 177.584 0.025 0.000 1.116 258 A CA -0.446 51.605 52.037 0.023 0.000 0.963 258 A CB 0.003 19.019 19.000 0.025 0.000 1.220 258 A HN 0.225 nan 8.150 nan 0.000 0.530 259 K N 0.593 121.005 120.400 0.020 0.000 2.416 259 K HA 0.364 4.684 4.320 -0.000 0.000 0.283 259 K C 1.307 177.923 176.600 0.026 0.000 1.037 259 K CA 0.271 56.578 56.287 0.032 0.000 0.995 259 K CB 1.060 33.577 32.500 0.028 0.000 0.938 259 K HN 0.337 nan 8.250 nan 0.000 0.475 260 A N 3.951 126.802 122.820 0.051 0.000 1.930 260 A HA -0.024 4.295 4.320 -0.000 0.000 0.217 260 A C 0.645 178.214 177.584 -0.024 0.000 1.175 260 A CA 0.945 53.002 52.037 0.032 0.000 0.627 260 A CB 0.373 19.422 19.000 0.082 0.000 0.815 260 A HN 0.414 nan 8.150 nan 0.000 0.443 261 V N 0.389 120.290 119.914 -0.021 0.000 2.444 261 V HA 0.216 4.336 4.120 -0.000 0.000 0.294 261 V C 0.390 176.441 176.094 -0.072 0.000 1.022 261 V CA -0.198 62.020 62.300 -0.137 0.000 0.850 261 V CB 1.551 33.140 31.823 -0.390 0.000 0.992 261 V HN 0.516 nan 8.190 nan 0.000 0.426 262 D N 3.351 123.701 120.400 -0.083 0.000 2.213 262 D HA 0.203 4.843 4.640 -0.000 0.000 0.205 262 D C 0.731 176.998 176.300 -0.055 0.000 0.961 262 D CA 1.471 55.439 54.000 -0.054 0.000 0.853 262 D CB 0.500 41.267 40.800 -0.055 0.000 0.967 262 D HN 0.742 nan 8.370 nan 0.000 0.496 263 G N -1.167 107.582 108.800 -0.084 0.000 2.646 263 G HA2 0.497 4.457 3.960 -0.000 0.000 0.291 263 G HA3 0.497 4.457 3.960 -0.000 0.000 0.291 263 G C -1.777 173.072 174.900 -0.085 0.000 1.445 263 G CA -0.534 44.526 45.100 -0.066 0.000 0.814 263 G HN -0.015 nan 8.290 nan 0.000 0.495 264 V N 0.410 120.299 119.914 -0.042 0.000 2.581 264 V HA 0.625 4.744 4.120 -0.000 0.000 0.303 264 V C -0.235 175.864 176.094 0.008 0.000 1.041 264 V CA -0.589 61.696 62.300 -0.026 0.000 0.907 264 V CB 1.703 33.533 31.823 0.013 0.000 0.994 264 V HN 0.803 nan 8.190 nan 0.000 0.442 265 E N 2.625 122.840 120.200 0.026 0.000 2.288 265 E HA 0.584 4.934 4.350 -0.000 0.000 0.268 265 E C -1.949 174.737 176.600 0.144 0.000 0.885 265 E CA -0.725 55.710 56.400 0.059 0.000 0.767 265 E CB 2.930 32.642 29.700 0.020 0.000 1.220 265 E HN 0.609 nan 8.360 nan 0.000 0.427 266 Y N 1.830 122.127 120.300 -0.004 0.000 2.396 266 Y HA 0.396 4.946 4.550 -0.000 0.000 0.332 266 Y C -2.003 173.899 175.900 0.003 0.000 1.034 266 Y CA -1.115 56.987 58.100 0.003 0.000 1.057 266 Y CB 1.694 40.157 38.460 0.006 0.000 1.220 266 Y HN 0.446 nan 8.280 nan 0.000 0.440 267 D N 4.330 124.477 120.400 -0.422 0.000 2.575 267 D HA 0.520 5.160 4.640 -0.000 0.000 0.250 267 D C -0.293 175.723 176.300 -0.474 0.000 1.279 267 D CA 0.133 53.860 54.000 -0.456 0.000 0.925 267 D CB 1.834 42.530 40.800 -0.173 0.000 1.261 267 D HN 0.718 nan 8.370 nan 0.000 0.567 268 A N 3.287 125.748 122.820 -0.599 0.000 2.132 268 A HA 0.051 4.371 4.320 -0.000 0.000 0.213 268 A C 1.022 178.533 177.584 -0.121 0.000 1.154 268 A CA 0.074 51.941 52.037 -0.284 0.000 0.753 268 A CB 0.074 18.954 19.000 -0.200 0.000 0.826 268 A HN 0.421 nan 8.150 nan 0.000 0.469 269 D N 1.367 121.691 120.400 -0.128 0.000 2.608 269 D HA 0.200 4.840 4.640 -0.000 0.000 0.224 269 D C -0.351 175.927 176.300 -0.037 0.000 1.123 269 D CA 0.316 54.278 54.000 -0.063 0.000 1.030 269 D CB -0.241 40.523 40.800 -0.059 0.000 1.093 269 D HN 0.264 nan 8.370 nan 0.000 0.497 270 Q N 0.556 120.343 119.800 -0.022 0.000 2.345 270 Q HA 0.741 5.081 4.340 -0.000 0.000 0.275 270 Q C -1.386 174.616 176.000 0.003 0.000 1.063 270 Q CA -1.035 54.767 55.803 -0.002 0.000 0.819 270 Q CB 2.427 31.165 28.738 0.000 0.000 1.356 270 Q HN 0.305 nan 8.270 nan 0.000 0.418 271 A N 1.722 124.546 122.820 0.006 0.000 2.517 271 A HA 0.561 4.881 4.320 -0.000 0.000 0.297 271 A C -1.355 176.204 177.584 -0.042 0.000 1.050 271 A CA -0.684 51.346 52.037 -0.012 0.000 0.694 271 A CB 1.771 20.766 19.000 -0.008 0.000 1.277 271 A HN 0.519 nan 8.150 nan 0.000 0.400 272 K N 1.951 122.305 120.400 -0.076 0.000 2.183 272 K HA 0.626 4.946 4.320 -0.000 0.000 0.274 272 K C -1.251 175.201 176.600 -0.248 0.000 1.009 272 K CA -0.303 55.894 56.287 -0.150 0.000 0.888 272 K CB 1.139 33.575 32.500 -0.105 0.000 1.078 272 K HN 0.466 nan 8.250 nan 0.000 0.459 273 V N 2.907 122.512 119.914 -0.516 0.000 2.459 273 V HA 0.612 4.731 4.120 -0.000 0.000 0.295 273 V C -0.499 175.230 176.094 -0.608 0.000 1.029 273 V CA -0.867 61.071 62.300 -0.604 0.000 0.874 273 V CB 1.278 32.606 31.823 -0.825 0.000 0.985 273 V HN 0.915 nan 8.190 nan 0.000 0.438 274 A N 5.146 127.794 122.820 -0.288 0.000 2.371 274 A HA 0.822 5.142 4.320 -0.000 0.000 0.311 274 A C -1.032 176.506 177.584 -0.076 0.000 1.068 274 A CA -0.556 51.389 52.037 -0.154 0.000 0.744 274 A CB 1.280 20.226 19.000 -0.091 0.000 1.239 274 A HN 0.813 nan 8.150 nan 0.000 0.435 275 L N 3.394 124.606 121.223 -0.018 0.000 2.257 275 L HA 0.406 4.746 4.340 -0.000 0.000 0.290 275 L C -0.877 175.988 176.870 -0.008 0.000 1.044 275 L CA -0.388 54.446 54.840 -0.009 0.000 0.810 275 L CB 0.806 42.866 42.059 0.002 0.000 1.193 275 L HN 0.649 nan 8.230 nan 0.000 0.425 276 L N 4.774 125.987 121.223 -0.016 0.000 2.357 276 L HA 0.439 4.779 4.340 -0.000 0.000 0.273 276 L C 0.890 177.753 176.870 -0.012 0.000 1.080 276 L CA -0.696 54.137 54.840 -0.012 0.000 0.803 276 L CB 0.965 43.014 42.059 -0.016 0.000 1.174 276 L HN 0.620 nan 8.230 nan 0.000 0.443 277 R N 1.195 121.693 120.500 -0.005 0.000 3.333 277 R HA -0.156 4.184 4.340 -0.000 0.000 0.256 277 R C -0.880 175.414 176.300 -0.010 0.000 1.010 277 R CA -0.022 56.075 56.100 -0.004 0.000 0.680 277 R CB -0.799 29.496 30.300 -0.008 0.000 1.102 277 R HN 0.411 nan 8.270 nan 0.000 0.440 278 V N 1.266 121.175 119.914 -0.009 0.000 3.036 278 V HA 0.462 4.582 4.120 -0.000 0.000 0.308 278 V C -1.803 174.285 176.094 -0.010 0.000 1.070 278 V CA -1.956 60.335 62.300 -0.015 0.000 1.056 278 V CB 1.622 33.434 31.823 -0.019 0.000 1.084 278 V HN 0.223 nan 8.190 nan 0.000 0.471 279 P HA 0.132 nan 4.420 nan 0.000 0.271 279 P C -1.128 176.163 177.300 -0.015 0.000 1.216 279 P CA -0.011 63.081 63.100 -0.013 0.000 0.771 279 P CB 0.316 32.008 31.700 -0.015 0.000 0.864 280 D N 3.783 124.174 120.400 -0.015 0.000 2.563 280 D HA 0.117 4.756 4.640 -0.000 0.000 0.222 280 D C -0.140 176.136 176.300 -0.040 0.000 1.145 280 D CA -0.313 53.672 54.000 -0.025 0.000 1.001 280 D CB -0.349 40.438 40.800 -0.022 0.000 1.049 280 D HN 0.291 nan 8.370 nan 0.000 0.515 281 R N 0.527 121.005 120.500 -0.036 0.000 2.739 281 R HA 0.684 5.024 4.340 -0.000 0.000 0.271 281 R C -2.999 173.279 176.300 -0.036 0.000 1.010 281 R CA -2.000 54.078 56.100 -0.036 0.000 0.897 281 R CB 0.265 30.549 30.300 -0.027 0.000 1.236 281 R HN -0.121 nan 8.270 nan 0.000 0.466 282 P HA 0.061 nan 4.420 nan 0.000 0.265 282 P C 0.501 177.789 177.300 -0.019 0.000 1.187 282 P CA 1.523 64.605 63.100 -0.030 0.000 0.766 282 P CB 0.754 32.440 31.700 -0.023 0.000 0.820 283 G N 0.631 109.423 108.800 -0.014 0.000 2.259 283 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 283 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 283 G C 0.970 175.873 174.900 0.005 0.000 1.001 283 G CA 0.179 45.281 45.100 0.003 0.000 0.627 283 G HN 0.376 nan 8.290 nan 0.000 0.501 284 V N 1.611 121.517 119.914 -0.014 0.000 2.237 284 V HA 0.052 4.172 4.120 -0.000 0.000 0.245 284 V C 3.294 179.381 176.094 -0.012 0.000 1.046 284 V CA 3.222 65.510 62.300 -0.020 0.000 1.007 284 V CB -1.282 30.522 31.823 -0.032 0.000 0.638 284 V HN 0.991 nan 8.190 nan 0.000 0.445 285 A N -0.604 122.204 122.820 -0.019 0.000 1.902 285 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 285 A C 2.550 180.287 177.584 0.255 0.000 1.181 285 A CA 2.257 54.324 52.037 0.049 0.000 0.623 285 A CB -0.931 17.941 19.000 -0.212 0.000 0.818 285 A HN 0.481 nan 8.150 nan 0.000 0.443 286 S N -0.329 115.491 115.700 0.200 0.000 2.368 286 S HA -0.301 4.169 4.470 -0.000 0.000 0.226 286 S C 2.150 176.857 174.600 0.179 0.000 1.044 286 S CA 2.338 60.687 58.200 0.248 0.000 1.062 286 S CB -0.348 62.935 63.200 0.139 0.000 0.931 286 S HN 0.654 nan 8.310 nan 0.000 0.440 287 K N 0.439 120.890 120.400 0.084 0.000 2.026 287 K HA -0.010 4.309 4.320 -0.000 0.000 0.208 287 K C 2.295 178.892 176.600 -0.005 0.000 1.048 287 K CA 1.369 57.678 56.287 0.037 0.000 0.929 287 K CB -0.470 32.035 32.500 0.008 0.000 0.713 287 K HN 0.432 nan 8.250 nan 0.000 0.439 288 L N 0.206 121.383 121.223 -0.077 0.000 1.963 288 L HA -0.253 4.087 4.340 -0.000 0.000 0.220 288 L C 2.170 178.869 176.870 -0.284 0.000 1.076 288 L CA 1.964 56.645 54.840 -0.264 0.000 0.772 288 L CB -0.327 41.412 42.059 -0.532 0.000 0.892 288 L HN 0.258 nan 8.230 nan 0.000 0.435 289 F N -0.711 119.255 119.950 0.027 0.000 2.367 289 F HA -0.041 4.486 4.527 -0.000 0.000 0.298 289 F C 2.653 178.451 175.800 -0.004 0.000 1.094 289 F CA 0.549 58.543 58.000 -0.010 0.000 1.409 289 F CB -0.411 38.640 39.000 0.085 0.000 1.064 289 F HN -0.026 nan 8.300 nan 0.000 0.528 290 R N 0.537 121.141 120.500 0.174 0.000 2.080 290 R HA -0.165 4.175 4.340 -0.000 0.000 0.236 290 R C 1.767 178.095 176.300 0.048 0.000 1.137 290 R CA 1.901 58.063 56.100 0.104 0.000 0.943 290 R CB -0.618 29.736 30.300 0.090 0.000 0.846 290 R HN 0.218 nan 8.270 nan 0.000 0.431 291 D N 0.597 121.007 120.400 0.017 0.000 2.097 291 D HA -0.133 4.507 4.640 -0.000 0.000 0.195 291 D C 1.959 178.252 176.300 -0.012 0.000 0.989 291 D CA 1.090 55.088 54.000 -0.004 0.000 0.827 291 D CB -0.293 40.496 40.800 -0.018 0.000 0.966 291 D HN 0.227 nan 8.370 nan 0.000 0.456 292 I N 1.239 121.788 120.570 -0.034 0.000 2.248 292 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 292 I C 2.406 178.519 176.117 -0.007 0.000 1.107 292 I CA 1.204 62.481 61.300 -0.038 0.000 1.373 292 I CB -0.238 37.693 38.000 -0.116 0.000 1.055 292 I HN -0.061 nan 8.210 nan 0.000 0.418 293 A N -0.108 122.720 122.820 0.013 0.000 2.014 293 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 293 A C 2.228 179.806 177.584 -0.009 0.000 1.163 293 A CA 1.096 53.136 52.037 0.006 0.000 0.652 293 A CB -0.465 18.548 19.000 0.021 0.000 0.808 293 A HN 0.458 nan 8.150 nan 0.000 0.449 294 Q N -0.628 119.170 119.800 -0.003 0.000 2.234 294 Q HA -0.167 4.173 4.340 -0.000 0.000 0.206 294 Q C 1.436 177.429 176.000 -0.010 0.000 0.980 294 Q CA 1.149 56.947 55.803 -0.008 0.000 0.869 294 Q CB -0.075 28.662 28.738 -0.002 0.000 0.912 294 Q HN 0.569 nan 8.270 nan 0.000 0.436 295 Q N 0.137 119.933 119.800 -0.007 0.000 2.482 295 Q HA -0.043 4.297 4.340 -0.000 0.000 0.209 295 Q C -0.185 175.809 176.000 -0.009 0.000 0.961 295 Q CA 0.426 56.227 55.803 -0.004 0.000 0.945 295 Q CB 0.291 29.032 28.738 0.004 0.000 1.012 295 Q HN 0.410 nan 8.270 nan 0.000 0.515 296 Q N -0.781 119.007 119.800 -0.019 0.000 2.487 296 Q HA -0.141 4.199 4.340 -0.000 0.000 0.279 296 Q C -0.905 175.084 176.000 -0.018 0.000 1.228 296 Q CA 0.174 55.958 55.803 -0.032 0.000 0.873 296 Q CB -1.976 26.742 28.738 -0.034 0.000 1.260 296 Q HN 0.058 nan 8.270 nan 0.000 0.471 297 V N 1.421 121.332 119.914 -0.005 0.000 2.348 297 V HA 0.149 4.269 4.120 -0.000 0.000 0.270 297 V C 0.271 176.374 176.094 0.016 0.000 1.037 297 V CA -0.296 62.013 62.300 0.015 0.000 0.872 297 V CB 1.367 33.210 31.823 0.033 0.000 1.002 297 V HN 0.224 nan 8.190 nan 0.000 0.464 298 D N 4.766 125.177 120.400 0.019 0.000 2.389 298 D HA 0.345 4.985 4.640 -0.000 0.000 0.247 298 D C -0.307 176.027 176.300 0.055 0.000 1.128 298 D CA 0.047 54.062 54.000 0.024 0.000 0.884 298 D CB 0.721 41.533 40.800 0.020 0.000 1.194 298 D HN 0.417 nan 8.370 nan 0.000 0.441 299 I N 2.887 123.488 120.570 0.053 0.000 2.493 299 I HA 0.228 4.398 4.170 -0.000 0.000 0.298 299 I C 0.534 176.699 176.117 0.080 0.000 0.998 299 I CA -0.755 60.601 61.300 0.093 0.000 1.137 299 I CB 1.915 39.955 38.000 0.066 0.000 1.310 299 I HN 0.515 nan 8.210 nan 0.000 0.445 300 D N 4.093 124.562 120.400 0.115 0.000 2.541 300 D HA 0.219 4.859 4.640 -0.000 0.000 0.261 300 D C 0.398 176.755 176.300 0.096 0.000 1.415 300 D CA 0.542 54.592 54.000 0.083 0.000 1.059 300 D CB 0.071 40.915 40.800 0.072 0.000 0.971 300 D HN 0.278 nan 8.370 nan 0.000 0.308 301 L N 1.264 122.560 121.223 0.120 0.000 2.410 301 L HA 0.248 4.588 4.340 -0.000 0.000 0.273 301 L C -0.228 176.758 176.870 0.193 0.000 1.152 301 L CA 0.153 55.070 54.840 0.127 0.000 0.855 301 L CB 0.695 42.820 42.059 0.109 0.000 1.129 301 L HN 0.244 nan 8.230 nan 0.000 0.463 302 I N 5.294 125.959 120.570 0.158 0.000 2.439 302 I HA 0.405 4.575 4.170 -0.000 0.000 0.285 302 I C -0.552 175.661 176.117 0.160 0.000 1.021 302 I CA -0.276 61.144 61.300 0.200 0.000 1.091 302 I CB 1.676 39.739 38.000 0.105 0.000 1.242 302 I HN 0.431 nan 8.210 nan 0.000 0.439 303 I N 6.104 126.777 120.570 0.171 0.000 2.418 303 I HA 0.377 4.547 4.170 -0.000 0.000 0.287 303 I C -0.581 175.600 176.117 0.106 0.000 1.008 303 I CA -0.451 60.919 61.300 0.116 0.000 1.104 303 I CB 1.936 39.991 38.000 0.092 0.000 1.264 303 I HN 0.589 nan 8.210 nan 0.000 0.438 304 Q N 5.208 125.053 119.800 0.074 0.000 2.337 304 Q HA 0.367 4.707 4.340 -0.000 0.000 0.260 304 Q C -0.993 175.031 176.000 0.040 0.000 0.982 304 Q CA -0.185 55.649 55.803 0.051 0.000 0.734 304 Q CB 2.217 30.969 28.738 0.024 0.000 1.272 304 Q HN 0.774 nan 8.270 nan 0.000 0.461 305 S N 3.348 119.072 115.700 0.039 0.000 2.477 305 S HA 0.435 4.904 4.470 -0.000 0.000 0.261 305 S C 0.438 175.052 174.600 0.022 0.000 1.197 305 S CA -0.678 57.542 58.200 0.035 0.000 1.015 305 S CB 0.319 63.538 63.200 0.033 0.000 1.077 305 S HN 0.746 nan 8.310 nan 0.000 0.505 306 I N 1.361 121.932 120.570 0.001 0.000 2.754 306 I HA 0.170 4.340 4.170 -0.000 0.000 0.285 306 I C 0.389 176.471 176.117 -0.059 0.000 1.166 306 I CA -0.529 60.756 61.300 -0.025 0.000 1.417 306 I CB 0.472 38.418 38.000 -0.090 0.000 1.382 306 I HN 0.894 nan 8.210 nan 0.000 0.588 307 H N 4.192 123.252 119.070 -0.018 0.000 2.929 307 H HA 0.147 4.702 4.556 -0.000 0.000 0.358 307 H C -0.922 174.394 175.328 -0.021 0.000 1.111 307 H CA -0.575 55.462 56.048 -0.019 0.000 1.409 307 H CB 0.312 30.062 29.762 -0.021 0.000 1.373 307 H HN 0.450 nan 8.280 nan 0.000 0.610 308 D N 1.931 122.330 120.400 -0.003 0.000 2.462 308 D HA 0.312 4.952 4.640 -0.000 0.000 0.245 308 D C 0.978 177.333 176.300 0.092 0.000 1.122 308 D CA 0.591 54.569 54.000 -0.037 0.000 0.864 308 D CB 0.547 41.331 40.800 -0.026 0.000 1.098 308 D HN 1.036 nan 8.370 nan 0.000 0.541 309 G N 4.905 113.790 108.800 0.142 0.000 2.611 309 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.301 309 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.301 309 G C 0.652 175.660 174.900 0.179 0.000 1.233 309 G CA 0.144 45.337 45.100 0.155 0.000 0.993 309 G HN 0.607 nan 8.290 nan 0.000 0.553 310 N N 1.957 120.702 118.700 0.076 0.000 2.295 310 N HA 0.294 5.034 4.740 -0.000 0.000 0.221 310 N C 0.479 176.004 175.510 0.025 0.000 1.129 310 N CA 1.034 54.099 53.050 0.025 0.000 0.836 310 N CB 0.413 38.903 38.487 0.004 0.000 1.040 310 N HN 0.937 nan 8.380 nan 0.000 0.494 311 S N -0.768 114.968 115.700 0.059 0.000 2.720 311 S HA 0.565 5.034 4.470 -0.000 0.000 0.287 311 S C -0.849 173.789 174.600 0.062 0.000 1.168 311 S CA -0.858 57.366 58.200 0.040 0.000 0.832 311 S CB 2.873 66.086 63.200 0.022 0.000 1.166 311 S HN 0.031 nan 8.310 nan 0.000 0.493 312 N N -0.411 118.311 118.700 0.036 0.000 2.853 312 N HA 0.486 5.226 4.740 -0.000 0.000 0.258 312 N C -2.323 173.199 175.510 0.020 0.000 1.444 312 N CA -0.396 52.675 53.050 0.036 0.000 0.837 312 N CB 2.159 40.670 38.487 0.041 0.000 1.489 312 N HN 0.733 nan 8.380 nan 0.000 0.529 313 D N 0.645 121.058 120.400 0.021 0.000 2.268 313 D HA 0.510 5.150 4.640 -0.000 0.000 0.249 313 D C -0.176 176.149 176.300 0.040 0.000 1.008 313 D CA -0.064 53.949 54.000 0.021 0.000 0.939 313 D CB 1.729 42.539 40.800 0.016 0.000 1.170 313 D HN 0.363 nan 8.370 nan 0.000 0.468 314 I N 0.775 121.380 120.570 0.058 0.000 2.447 314 I HA 0.503 4.672 4.170 -0.000 0.000 0.287 314 I C -0.530 175.684 176.117 0.162 0.000 1.023 314 I CA -0.793 60.584 61.300 0.127 0.000 1.083 314 I CB 1.874 39.960 38.000 0.142 0.000 1.245 314 I HN 0.285 nan 8.210 nan 0.000 0.434 315 A N 6.714 129.650 122.820 0.193 0.000 2.365 315 A HA 0.967 5.287 4.320 -0.000 0.000 0.318 315 A C -1.023 176.742 177.584 0.302 0.000 1.091 315 A CA -0.393 51.719 52.037 0.125 0.000 0.763 315 A CB 1.216 20.242 19.000 0.043 0.000 1.248 315 A HN 0.661 nan 8.150 nan 0.000 0.442 316 F N -0.538 119.505 119.950 0.154 0.000 2.662 316 F HA 0.853 5.380 4.527 -0.000 0.000 0.312 316 F C -0.113 175.757 175.800 0.117 0.000 1.113 316 F CA -0.399 57.710 58.000 0.182 0.000 0.951 316 F CB 1.416 40.616 39.000 0.333 0.000 1.344 316 F HN 0.661 nan 8.300 nan 0.000 0.462 317 T N -0.556 114.174 114.554 0.293 0.000 2.930 317 T HA 0.882 5.232 4.350 -0.000 0.000 0.290 317 T C -1.406 173.445 174.700 0.252 0.000 1.052 317 T CA -0.851 61.343 62.100 0.158 0.000 1.017 317 T CB 1.807 70.727 68.868 0.088 0.000 1.137 317 T HN 0.916 nan 8.240 nan 0.000 0.511 318 V N 0.502 120.510 119.914 0.156 0.000 3.178 318 V HA 0.457 4.577 4.120 -0.000 0.000 0.302 318 V C -0.328 175.813 176.094 0.078 0.000 1.262 318 V CA -0.999 61.394 62.300 0.155 0.000 1.030 318 V CB 2.581 34.534 31.823 0.217 0.000 1.074 318 V HN 1.026 nan 8.190 nan 0.000 0.438 319 V N 3.380 123.330 119.914 0.061 0.000 2.763 319 V HA 0.039 4.159 4.120 -0.000 0.000 0.306 319 V C 1.580 177.690 176.094 0.027 0.000 1.059 319 V CA 0.475 62.793 62.300 0.031 0.000 1.138 319 V CB 0.909 32.745 31.823 0.023 0.000 0.940 319 V HN 0.926 nan 8.190 nan 0.000 0.489 320 K N 2.556 122.963 120.400 0.012 0.000 2.107 320 K HA -0.248 4.072 4.320 -0.000 0.000 0.211 320 K C 1.533 178.141 176.600 0.013 0.000 1.049 320 K CA 2.196 58.488 56.287 0.009 0.000 0.927 320 K CB -0.181 32.320 32.500 0.002 0.000 0.714 320 K HN 0.990 nan 8.250 nan 0.000 0.452 321 D N -0.009 120.399 120.400 0.013 0.000 2.347 321 D HA -0.123 4.517 4.640 -0.000 0.000 0.215 321 D C 1.375 177.687 176.300 0.020 0.000 0.976 321 D CA 0.599 54.607 54.000 0.013 0.000 0.884 321 D CB 0.036 40.842 40.800 0.009 0.000 0.915 321 D HN 0.027 nan 8.370 nan 0.000 0.526 322 L N -0.160 121.081 121.223 0.030 0.000 2.585 322 L HA 0.281 4.621 4.340 -0.000 0.000 0.226 322 L C 1.743 178.646 176.870 0.055 0.000 1.113 322 L CA 0.168 55.034 54.840 0.044 0.000 0.876 322 L CB -0.431 41.661 42.059 0.056 0.000 1.072 322 L HN 0.090 nan 8.230 nan 0.000 0.468 323 L N 0.115 121.363 121.223 0.042 0.000 2.013 323 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 323 L C 2.159 179.048 176.870 0.032 0.000 1.073 323 L CA 1.811 56.672 54.840 0.035 0.000 0.753 323 L CB -0.688 41.377 42.059 0.011 0.000 0.890 323 L HN 0.290 nan 8.230 nan 0.000 0.432 324 N N -0.754 117.960 118.700 0.023 0.000 2.043 324 N HA -0.171 4.569 4.740 -0.000 0.000 0.193 324 N C 1.767 177.294 175.510 0.028 0.000 1.037 324 N CA 2.076 55.138 53.050 0.019 0.000 0.851 324 N CB -0.892 37.603 38.487 0.013 0.000 1.027 324 N HN 0.435 nan 8.380 nan 0.000 0.422 325 T N 1.093 115.668 114.554 0.034 0.000 2.635 325 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 325 T C 1.933 176.667 174.700 0.058 0.000 1.040 325 T CA 1.707 63.830 62.100 0.038 0.000 1.156 325 T CB -0.513 68.377 68.868 0.038 0.000 0.863 325 T HN 0.382 nan 8.240 nan 0.000 0.430 326 A N 1.126 123.998 122.820 0.087 0.000 1.933 326 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 326 A C 2.224 179.890 177.584 0.137 0.000 1.175 326 A CA 1.999 54.127 52.037 0.151 0.000 0.628 326 A CB -0.616 18.530 19.000 0.244 0.000 0.814 326 A HN 0.663 nan 8.150 nan 0.000 0.444 327 E N -0.078 120.166 120.200 0.074 0.000 2.047 327 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 327 E C 2.160 178.782 176.600 0.035 0.000 0.987 327 E CA 1.035 57.458 56.400 0.039 0.000 0.799 327 E CB -0.284 29.420 29.700 0.008 0.000 0.752 327 E HN 0.508 nan 8.360 nan 0.000 0.449 328 A N 0.725 123.564 122.820 0.031 0.000 1.883 328 A HA -0.160 4.159 4.320 -0.000 0.000 0.217 328 A C 2.437 180.035 177.584 0.022 0.000 1.186 328 A CA 1.740 53.789 52.037 0.021 0.000 0.624 328 A CB -0.852 18.158 19.000 0.017 0.000 0.822 328 A HN 0.235 nan 8.150 nan 0.000 0.444 329 V N -0.192 119.741 119.914 0.032 0.000 2.295 329 V HA -0.245 3.874 4.120 -0.000 0.000 0.246 329 V C 2.723 178.829 176.094 0.021 0.000 1.049 329 V CA 2.501 64.815 62.300 0.024 0.000 1.024 329 V CB -1.494 30.345 31.823 0.026 0.000 0.648 329 V HN 0.611 nan 8.190 nan 0.000 0.447 330 T N -0.317 114.266 114.554 0.048 0.000 2.708 330 T HA -0.192 4.158 4.350 -0.000 0.000 0.266 330 T C 2.101 176.809 174.700 0.014 0.000 1.037 330 T CA 1.851 63.978 62.100 0.045 0.000 1.146 330 T CB -0.343 68.596 68.868 0.117 0.000 0.865 330 T HN 0.463 nan 8.240 nan 0.000 0.435 331 S N 0.893 116.601 115.700 0.013 0.000 2.440 331 S HA -0.019 4.451 4.470 -0.000 0.000 0.238 331 S C 2.307 176.904 174.600 -0.005 0.000 1.010 331 S CA 0.889 59.089 58.200 -0.000 0.000 0.972 331 S CB -0.306 62.894 63.200 -0.001 0.000 0.774 331 S HN 0.602 nan 8.310 nan 0.000 0.501 332 A N 0.724 123.543 122.820 -0.002 0.000 1.997 332 A HA 0.250 4.570 4.320 -0.000 0.000 0.212 332 A C 1.893 179.472 177.584 -0.010 0.000 1.178 332 A CA 0.285 52.319 52.037 -0.005 0.000 0.698 332 A CB -0.311 18.689 19.000 -0.001 0.000 0.842 332 A HN 0.479 nan 8.150 nan 0.000 0.458 333 I N 0.042 120.604 120.570 -0.014 0.000 2.353 333 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 333 I C 2.909 179.011 176.117 -0.025 0.000 1.119 333 I CA 0.804 62.091 61.300 -0.022 0.000 1.417 333 I CB -0.466 37.512 38.000 -0.037 0.000 1.078 333 I HN 0.301 nan 8.210 nan 0.000 0.421 334 A N 1.938 124.742 122.820 -0.026 0.000 1.896 334 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 334 A C 0.159 177.723 177.584 -0.033 0.000 1.206 334 A CA 2.303 54.322 52.037 -0.030 0.000 0.647 334 A CB -2.181 16.802 19.000 -0.028 0.000 0.828 334 A HN 0.278 nan 8.150 nan 0.000 0.455 335 P HA -0.141 nan 4.420 nan 0.000 0.217 335 P C 1.476 178.761 177.300 -0.025 0.000 1.148 335 P CA 1.850 64.929 63.100 -0.034 0.000 0.828 335 P CB -0.164 31.523 31.700 -0.023 0.000 0.783 336 A N -1.370 121.440 122.820 -0.017 0.000 2.172 336 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 336 A C 1.585 179.161 177.584 -0.013 0.000 1.154 336 A CA 1.117 53.148 52.037 -0.010 0.000 0.701 336 A CB -1.133 17.863 19.000 -0.008 0.000 0.789 336 A HN 0.089 nan 8.150 nan 0.000 0.465 337 L N -0.459 120.750 121.223 -0.023 0.000 2.628 337 L HA 0.242 4.582 4.340 -0.000 0.000 0.229 337 L C 1.058 177.911 176.870 -0.028 0.000 1.137 337 L CA 0.531 55.356 54.840 -0.024 0.000 0.909 337 L CB -0.732 41.309 42.059 -0.030 0.000 1.137 337 L HN 0.309 nan 8.230 nan 0.000 0.470 338 R N -1.909 118.571 120.500 -0.034 0.000 2.700 338 R HA 0.428 4.768 4.340 -0.000 0.000 0.253 338 R C 1.346 177.632 176.300 -0.023 0.000 1.091 338 R CA -0.368 55.700 56.100 -0.053 0.000 1.104 338 R CB 0.881 31.116 30.300 -0.108 0.000 1.202 338 R HN -0.123 nan 8.270 nan 0.000 0.532 339 S N 0.337 116.021 115.700 -0.027 0.000 2.426 339 S HA -0.161 4.309 4.470 -0.000 0.000 0.220 339 S C 0.464 175.158 174.600 0.157 0.000 1.040 339 S CA 1.518 59.759 58.200 0.067 0.000 1.094 339 S CB -0.405 62.864 63.200 0.114 0.000 1.072 339 S HN 0.585 nan 8.310 nan 0.000 0.415 340 Y N -0.865 119.434 120.300 -0.002 0.000 2.487 340 Y HA 0.576 5.126 4.550 -0.000 0.000 0.337 340 Y C -2.508 173.391 175.900 -0.003 0.000 1.076 340 Y CA -2.978 55.121 58.100 -0.002 0.000 1.115 340 Y CB 0.304 38.762 38.460 -0.002 0.000 1.235 340 Y HN -0.048 nan 8.280 nan 0.000 0.468 341 P HA -0.196 nan 4.420 nan 0.000 0.217 341 P C 0.100 177.353 177.300 -0.079 0.000 1.151 341 P CA 1.930 65.025 63.100 -0.008 0.000 0.849 341 P CB 0.197 31.918 31.700 0.036 0.000 0.787 342 E N -1.083 119.079 120.200 -0.064 0.000 2.437 342 E HA 0.299 4.649 4.350 -0.000 0.000 0.189 342 E C 0.562 176.921 176.600 -0.402 0.000 1.054 342 E CA -0.243 56.095 56.400 -0.105 0.000 0.874 342 E CB -0.572 29.175 29.700 0.078 0.000 1.011 342 E HN 0.156 nan 8.360 nan 0.000 0.474 343 A N 2.259 124.547 122.820 -0.886 0.000 2.555 343 A HA 0.144 4.464 4.320 -0.000 0.000 0.233 343 A C 0.395 177.747 177.584 -0.387 0.000 1.060 343 A CA -0.062 51.381 52.037 -0.990 0.000 0.759 343 A CB 0.142 18.660 19.000 -0.805 0.000 0.995 343 A HN 0.260 nan 8.150 nan 0.000 0.506 344 D N 0.134 120.388 120.400 -0.243 0.000 2.387 344 D HA 0.315 4.955 4.640 -0.000 0.000 0.255 344 D C -0.046 176.199 176.300 -0.093 0.000 1.081 344 D CA -0.398 53.531 54.000 -0.119 0.000 0.994 344 D CB 0.496 41.261 40.800 -0.057 0.000 1.127 344 D HN 0.663 nan 8.370 nan 0.000 0.513 345 Q N -1.211 118.553 119.800 -0.060 0.000 2.480 345 Q HA -0.218 4.122 4.340 -0.000 0.000 0.265 345 Q C -0.964 175.009 176.000 -0.047 0.000 1.072 345 Q CA 1.202 56.980 55.803 -0.042 0.000 1.018 345 Q CB -1.384 27.338 28.738 -0.027 0.000 1.433 345 Q HN 0.616 nan 8.270 nan 0.000 0.513 346 E N -0.743 119.419 120.200 -0.063 0.000 2.290 346 E HA 0.581 4.931 4.350 -0.000 0.000 0.274 346 E C -0.429 176.137 176.600 -0.056 0.000 0.889 346 E CA -0.330 56.034 56.400 -0.060 0.000 0.760 346 E CB 1.768 31.418 29.700 -0.083 0.000 1.206 346 E HN 0.324 nan 8.360 nan 0.000 0.419 347 A N 2.777 125.572 122.820 -0.041 0.000 2.251 347 A HA -0.242 4.078 4.320 -0.000 0.000 0.283 347 A C 0.091 177.653 177.584 -0.038 0.000 1.415 347 A CA 1.625 53.639 52.037 -0.037 0.000 0.742 347 A CB -1.183 17.793 19.000 -0.041 0.000 1.151 347 A HN 0.595 nan 8.150 nan 0.000 0.354 348 E N 0.956 121.136 120.200 -0.033 0.000 2.191 348 E HA 0.694 5.044 4.350 -0.000 0.000 0.274 348 E C -0.419 176.164 176.600 -0.030 0.000 0.948 348 E CA -0.883 55.498 56.400 -0.032 0.000 0.802 348 E CB 1.176 30.858 29.700 -0.031 0.000 1.137 348 E HN 0.746 nan 8.360 nan 0.000 0.397 349 I N 6.200 126.752 120.570 -0.030 0.000 2.392 349 I HA 0.388 4.558 4.170 -0.000 0.000 0.295 349 I C -0.434 175.659 176.117 -0.040 0.000 0.985 349 I CA -0.742 60.538 61.300 -0.034 0.000 1.221 349 I CB 0.757 38.741 38.000 -0.026 0.000 1.366 349 I HN 0.605 nan 8.210 nan 0.000 0.467 350 I N 5.713 126.250 120.570 -0.055 0.000 3.145 350 I HA 0.753 4.923 4.170 -0.000 0.000 0.313 350 I C -1.821 174.248 176.117 -0.080 0.000 1.122 350 I CA -0.749 60.517 61.300 -0.056 0.000 0.987 350 I CB 2.202 40.173 38.000 -0.049 0.000 1.236 350 I HN 0.388 nan 8.210 nan 0.000 0.453 351 V N 1.833 121.706 119.914 -0.068 0.000 2.932 351 V HA 0.510 4.630 4.120 -0.000 0.000 0.307 351 V C -1.403 174.655 176.094 -0.059 0.000 1.147 351 V CA -0.151 62.103 62.300 -0.077 0.000 0.951 351 V CB 2.241 34.029 31.823 -0.058 0.000 1.031 351 V HN 0.959 nan 8.190 nan 0.000 0.426 352 E N 4.464 124.628 120.200 -0.061 0.000 2.281 352 E HA 0.373 4.723 4.350 -0.000 0.000 0.266 352 E C -0.401 176.180 176.600 -0.031 0.000 0.893 352 E CA -0.480 55.895 56.400 -0.041 0.000 0.798 352 E CB 1.851 31.527 29.700 -0.041 0.000 1.245 352 E HN 0.610 nan 8.360 nan 0.000 0.410 353 K N 2.430 122.819 120.400 -0.019 0.000 2.284 353 K HA 0.130 4.450 4.320 -0.000 0.000 0.198 353 K C 0.778 177.378 176.600 -0.001 0.000 1.048 353 K CA 0.604 56.884 56.287 -0.011 0.000 0.987 353 K CB 0.527 33.023 32.500 -0.008 0.000 0.800 353 K HN 0.517 nan 8.250 nan 0.000 0.486 354 G N 2.825 111.626 108.800 0.001 0.000 4.178 354 G HA2 0.279 4.239 3.960 -0.000 0.000 0.287 354 G HA3 0.279 4.239 3.960 -0.000 0.000 0.287 354 G C 0.158 175.070 174.900 0.020 0.000 1.293 354 G CA -0.393 44.714 45.100 0.012 0.000 1.393 354 G HN 0.221 nan 8.290 nan 0.000 0.623 355 I N -2.481 118.103 120.570 0.022 0.000 2.863 355 I HA 0.961 5.131 4.170 -0.000 0.000 0.311 355 I C -0.170 175.983 176.117 0.059 0.000 1.026 355 I CA -1.550 59.771 61.300 0.034 0.000 1.077 355 I CB 2.537 40.549 38.000 0.019 0.000 1.262 355 I HN 0.061 nan 8.210 nan 0.000 0.461 356 A N 2.810 125.683 122.820 0.089 0.000 2.498 356 A HA 0.639 4.959 4.320 -0.000 0.000 0.298 356 A C -1.128 176.525 177.584 0.116 0.000 1.075 356 A CA -0.835 51.284 52.037 0.137 0.000 0.714 356 A CB 1.814 21.015 19.000 0.334 0.000 1.299 356 A HN 0.793 nan 8.150 nan 0.000 0.407 357 K N 1.993 122.451 120.400 0.097 0.000 2.213 357 K HA 0.648 4.967 4.320 -0.000 0.000 0.270 357 K C -0.819 175.869 176.600 0.147 0.000 1.002 357 K CA -0.409 55.932 56.287 0.090 0.000 0.868 357 K CB 0.550 33.076 32.500 0.044 0.000 1.093 357 K HN 0.715 nan 8.250 nan 0.000 0.454 358 I N 0.244 120.894 120.570 0.133 0.000 2.693 358 I HA 0.849 5.019 4.170 -0.000 0.000 0.303 358 I C -1.023 175.141 176.117 0.078 0.000 1.025 358 I CA -0.977 60.403 61.300 0.133 0.000 1.086 358 I CB 2.252 40.323 38.000 0.119 0.000 1.268 358 I HN 0.637 nan 8.210 nan 0.000 0.440 359 A N 5.322 128.173 122.820 0.051 0.000 2.587 359 A HA 0.811 5.131 4.320 -0.000 0.000 0.293 359 A C -0.851 176.702 177.584 -0.050 0.000 1.087 359 A CA -0.762 51.278 52.037 0.005 0.000 0.692 359 A CB 1.761 20.760 19.000 -0.002 0.000 1.291 359 A HN 0.921 nan 8.150 nan 0.000 0.407 360 I N -1.124 119.375 120.570 -0.119 0.000 2.493 360 I HA 0.905 5.075 4.170 -0.000 0.000 0.298 360 I C -0.116 175.885 176.117 -0.194 0.000 0.998 360 I CA -0.829 60.328 61.300 -0.238 0.000 1.137 360 I CB 1.989 39.699 38.000 -0.483 0.000 1.310 360 I HN 0.822 nan 8.210 nan 0.000 0.445 361 A N 3.944 126.654 122.820 -0.184 0.000 2.414 361 A HA 0.995 5.315 4.320 -0.000 0.000 0.306 361 A C -0.289 177.214 177.584 -0.136 0.000 1.054 361 A CA -0.358 51.600 52.037 -0.131 0.000 0.724 361 A CB 1.651 20.598 19.000 -0.088 0.000 1.267 361 A HN 1.434 nan 8.150 nan 0.000 0.418 362 G N -0.623 108.111 108.800 -0.109 0.000 2.318 362 G HA2 0.603 4.563 3.960 -0.000 0.000 0.306 362 G HA3 0.603 4.563 3.960 -0.000 0.000 0.306 362 G C 0.309 175.163 174.900 -0.077 0.000 1.696 362 G CA 0.151 45.194 45.100 -0.095 0.000 0.905 362 G HN 1.728 nan 8.290 nan 0.000 0.700 363 A N 0.882 123.660 122.820 -0.070 0.000 1.978 363 A HA 0.211 4.531 4.320 -0.000 0.000 0.220 363 A C 2.545 180.093 177.584 -0.060 0.000 1.170 363 A CA 2.725 54.721 52.037 -0.069 0.000 0.636 363 A CB -0.488 18.456 19.000 -0.093 0.000 0.810 363 A HN 1.921 nan 8.150 nan 0.000 0.448 364 G N -0.090 108.677 108.800 -0.056 0.000 2.708 364 G HA2 0.009 3.969 3.960 -0.000 0.000 0.210 364 G HA3 0.009 3.969 3.960 -0.000 0.000 0.210 364 G C 1.313 176.204 174.900 -0.015 0.000 1.141 364 G CA 0.952 46.035 45.100 -0.029 0.000 0.788 364 G HN 0.769 nan 8.290 nan 0.000 0.531 365 M N -0.869 118.712 119.600 -0.032 0.000 2.492 365 M HA 0.407 4.887 4.480 -0.000 0.000 0.255 365 M C 0.588 176.880 176.300 -0.014 0.000 1.139 365 M CA 0.079 55.361 55.300 -0.031 0.000 1.096 365 M CB 0.106 32.666 32.600 -0.066 0.000 1.360 365 M HN -0.155 nan 8.290 nan 0.000 0.480 366 I N 3.482 124.048 120.570 -0.008 0.000 2.845 366 I HA -0.003 4.167 4.170 -0.000 0.000 0.290 366 I C 1.304 177.436 176.117 0.026 0.000 1.202 366 I CA 1.407 62.713 61.300 0.009 0.000 1.406 366 I CB -0.551 37.457 38.000 0.013 0.000 1.383 366 I HN 0.819 nan 8.210 nan 0.000 0.549 367 G N 5.152 113.969 108.800 0.029 0.000 2.184 367 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.264 367 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.264 367 G C 0.451 175.373 174.900 0.036 0.000 0.975 367 G CA 0.235 45.357 45.100 0.038 0.000 0.642 367 G HN 0.684 nan 8.290 nan 0.000 0.536 368 R N 1.032 121.549 120.500 0.028 0.000 2.346 368 R HA 0.602 4.942 4.340 -0.000 0.000 0.311 368 R C -2.513 173.800 176.300 0.022 0.000 0.983 368 R CA -1.824 54.292 56.100 0.027 0.000 0.880 368 R CB 1.462 31.778 30.300 0.026 0.000 1.100 368 R HN 0.102 nan 8.270 nan 0.000 0.453 369 P HA 0.237 nan 4.420 nan 0.000 0.279 369 P C -0.041 177.270 177.300 0.018 0.000 1.252 369 P CA 0.114 63.230 63.100 0.027 0.000 0.811 369 P CB 1.198 32.919 31.700 0.035 0.000 1.035 370 G N 0.480 109.287 108.800 0.012 0.000 2.179 370 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 370 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 370 G C 0.839 175.732 174.900 -0.012 0.000 0.977 370 G CA 0.208 45.311 45.100 0.006 0.000 0.641 370 G HN 0.399 nan 8.290 nan 0.000 0.533 371 I N 1.200 121.756 120.570 -0.025 0.000 2.193 371 I HA 0.062 4.232 4.170 -0.000 0.000 0.240 371 I C 3.226 179.264 176.117 -0.132 0.000 1.084 371 I CA 1.934 63.228 61.300 -0.009 0.000 1.365 371 I CB -1.850 36.130 38.000 -0.033 0.000 1.064 371 I HN 0.348 nan 8.210 nan 0.000 0.410 372 A N 1.155 123.797 122.820 -0.298 0.000 1.908 372 A HA -0.156 4.163 4.320 -0.000 0.000 0.218 372 A C 2.562 179.554 177.584 -0.987 0.000 1.181 372 A CA 2.313 53.931 52.037 -0.698 0.000 0.627 372 A CB -0.910 17.680 19.000 -0.684 0.000 0.818 372 A HN 0.430 nan 8.150 nan 0.000 0.445 373 A N -0.354 122.198 122.820 -0.448 0.000 1.902 373 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 373 A C 2.149 179.670 177.584 -0.104 0.000 1.181 373 A CA 2.044 53.980 52.037 -0.169 0.000 0.623 373 A CB -0.438 18.585 19.000 0.038 0.000 0.818 373 A HN 0.576 nan 8.150 nan 0.000 0.443 374 K N -0.929 119.424 120.400 -0.078 0.000 2.097 374 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 374 K C 2.105 178.728 176.600 0.038 0.000 1.050 374 K CA 1.328 57.600 56.287 -0.025 0.000 0.938 374 K CB -0.239 32.234 32.500 -0.045 0.000 0.718 374 K HN 0.532 nan 8.250 nan 0.000 0.442 375 M N 0.273 119.919 119.600 0.078 0.000 2.065 375 M HA -0.200 4.280 4.480 -0.000 0.000 0.259 375 M C 1.481 177.883 176.300 0.170 0.000 1.069 375 M CA 1.813 57.193 55.300 0.134 0.000 1.110 375 M CB -0.161 32.396 32.600 -0.072 0.000 1.328 375 M HN 0.079 nan 8.290 nan 0.000 0.405 376 F N 0.731 120.728 119.950 0.079 0.000 2.126 376 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 376 F C 2.523 178.359 175.800 0.061 0.000 1.096 376 F CA 1.545 59.582 58.000 0.063 0.000 1.255 376 F CB -1.580 37.464 39.000 0.073 0.000 0.997 376 F HN 0.263 nan 8.300 nan 0.000 0.479 377 K N 0.194 120.725 120.400 0.218 0.000 2.026 377 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 377 K C 1.946 178.594 176.600 0.080 0.000 1.048 377 K CA 1.927 58.288 56.287 0.123 0.000 0.929 377 K CB -0.338 32.203 32.500 0.068 0.000 0.713 377 K HN 0.207 nan 8.250 nan 0.000 0.439 378 T N 2.390 116.981 114.554 0.062 0.000 2.684 378 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 378 T C 1.882 176.619 174.700 0.062 0.000 1.036 378 T CA 1.630 63.752 62.100 0.036 0.000 1.148 378 T CB -0.207 68.679 68.868 0.030 0.000 0.863 378 T HN 0.177 nan 8.240 nan 0.000 0.436 379 L N 0.724 122.009 121.223 0.104 0.000 2.017 379 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 379 L C 3.132 180.041 176.870 0.066 0.000 1.073 379 L CA 1.269 56.162 54.840 0.088 0.000 0.745 379 L CB -0.810 41.320 42.059 0.118 0.000 0.894 379 L HN 0.251 nan 8.230 nan 0.000 0.432 380 A N -0.060 122.808 122.820 0.082 0.000 1.908 380 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 380 A C 1.908 179.516 177.584 0.040 0.000 1.181 380 A CA 2.046 54.118 52.037 0.059 0.000 0.627 380 A CB -0.547 18.499 19.000 0.077 0.000 0.818 380 A HN 0.372 nan 8.150 nan 0.000 0.445 381 D N -0.970 119.452 120.400 0.038 0.000 2.264 381 D HA -0.048 4.592 4.640 -0.000 0.000 0.208 381 D C 1.378 177.686 176.300 0.014 0.000 0.966 381 D CA 0.953 54.966 54.000 0.022 0.000 0.864 381 D CB 0.018 40.825 40.800 0.012 0.000 0.933 381 D HN 0.213 nan 8.370 nan 0.000 0.499 382 V N -0.501 119.423 119.914 0.017 0.000 3.444 382 V HA 0.273 4.393 4.120 -0.000 0.000 0.308 382 V C 1.212 177.311 176.094 0.008 0.000 1.371 382 V CA 0.814 63.119 62.300 0.009 0.000 1.141 382 V CB -0.012 31.814 31.823 0.006 0.000 1.037 382 V HN 0.352 nan 8.190 nan 0.000 0.433 383 G N 0.716 109.522 108.800 0.011 0.000 2.148 383 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.254 383 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.254 383 G C 0.314 175.217 174.900 0.005 0.000 0.981 383 G CA 0.472 45.576 45.100 0.007 0.000 0.670 383 G HN 1.425 nan 8.290 nan 0.000 0.528 384 V N -0.654 119.267 119.914 0.011 0.000 2.407 384 V HA 0.778 4.897 4.120 -0.000 0.000 0.278 384 V C 0.186 176.284 176.094 0.007 0.000 1.037 384 V CA -0.769 61.535 62.300 0.008 0.000 0.900 384 V CB 1.457 33.286 31.823 0.010 0.000 0.983 384 V HN 0.433 nan 8.190 nan 0.000 0.459 385 N N 4.958 123.654 118.700 -0.006 0.000 2.514 385 N HA 0.406 5.146 4.740 -0.000 0.000 0.277 385 N C -0.503 174.994 175.510 -0.023 0.000 1.126 385 N CA -0.375 52.663 53.050 -0.020 0.000 0.978 385 N CB 0.785 39.255 38.487 -0.028 0.000 1.106 385 N HN 0.795 nan 8.380 nan 0.000 0.461 386 I N 2.741 123.283 120.570 -0.046 0.000 2.325 386 I HA 0.132 4.302 4.170 -0.000 0.000 0.291 386 I C 1.055 177.134 176.117 -0.064 0.000 1.019 386 I CA -0.230 61.034 61.300 -0.061 0.000 1.302 386 I CB 1.256 39.173 38.000 -0.137 0.000 1.401 386 I HN 0.689 nan 8.210 nan 0.000 0.485 387 E N 5.200 125.377 120.200 -0.038 0.000 2.079 387 E HA 0.176 4.526 4.350 -0.000 0.000 0.191 387 E C 0.145 176.727 176.600 -0.030 0.000 0.961 387 E CA 0.857 57.238 56.400 -0.032 0.000 0.823 387 E CB 0.385 30.075 29.700 -0.018 0.000 0.789 387 E HN 0.552 nan 8.360 nan 0.000 0.459 388 M N 0.677 120.266 119.600 -0.019 0.000 2.690 388 M HA 0.507 4.987 4.480 -0.000 0.000 0.302 388 M C -1.065 175.231 176.300 -0.006 0.000 1.234 388 M CA -0.589 54.707 55.300 -0.007 0.000 0.853 388 M CB 2.737 35.344 32.600 0.011 0.000 1.748 388 M HN -0.078 nan 8.290 nan 0.000 0.469 389 I N 0.323 120.897 120.570 0.007 0.000 2.656 389 I HA 0.434 4.604 4.170 -0.000 0.000 0.292 389 I C -0.877 175.272 176.117 0.052 0.000 1.144 389 I CA -0.488 60.826 61.300 0.024 0.000 1.038 389 I CB 2.354 40.344 38.000 -0.016 0.000 1.244 389 I HN 0.584 nan 8.210 nan 0.000 0.420 390 S N 3.362 119.101 115.700 0.064 0.000 2.668 390 S HA 0.607 5.077 4.470 -0.000 0.000 0.277 390 S C -0.628 174.008 174.600 0.059 0.000 1.170 390 S CA -0.463 57.776 58.200 0.065 0.000 0.994 390 S CB 1.341 64.580 63.200 0.065 0.000 1.051 390 S HN 0.720 nan 8.310 nan 0.000 0.484 391 T N 1.702 116.291 114.554 0.058 0.000 2.902 391 T HA 0.780 5.130 4.350 -0.000 0.000 0.283 391 T C 0.514 175.236 174.700 0.037 0.000 1.009 391 T CA -0.455 61.669 62.100 0.040 0.000 1.051 391 T CB 1.416 70.306 68.868 0.036 0.000 0.999 391 T HN 0.712 nan 8.240 nan 0.000 0.474 392 S N 1.283 116.994 115.700 0.018 0.000 2.694 392 S HA 0.459 4.929 4.470 -0.000 0.000 0.286 392 S C 1.108 175.711 174.600 0.006 0.000 1.080 392 S CA -0.534 57.675 58.200 0.014 0.000 0.953 392 S CB 0.754 63.955 63.200 0.002 0.000 1.313 392 S HN 0.724 nan 8.310 nan 0.000 0.555 393 E N -0.179 120.020 120.200 -0.001 0.000 2.107 393 E HA -0.040 4.310 4.350 -0.000 0.000 0.191 393 E C 1.300 177.889 176.600 -0.018 0.000 0.982 393 E CA 1.581 57.979 56.400 -0.004 0.000 0.809 393 E CB -0.162 29.534 29.700 -0.006 0.000 0.756 393 E HN 0.627 nan 8.360 nan 0.000 0.459 394 V N -3.146 116.750 119.914 -0.030 0.000 3.330 394 V HA 0.452 4.572 4.120 -0.000 0.000 0.309 394 V C 0.051 176.109 176.094 -0.060 0.000 1.481 394 V CA -0.555 61.718 62.300 -0.046 0.000 1.068 394 V CB 0.102 31.896 31.823 -0.047 0.000 0.935 394 V HN -0.108 nan 8.190 nan 0.000 0.453 395 K N 0.764 121.135 120.400 -0.048 0.000 2.427 395 K HA 0.703 5.023 4.320 -0.000 0.000 0.252 395 K C -1.513 175.061 176.600 -0.043 0.000 0.931 395 K CA -0.650 55.605 56.287 -0.054 0.000 0.793 395 K CB 3.333 35.812 32.500 -0.035 0.000 1.211 395 K HN 0.099 nan 8.250 nan 0.000 0.426 396 V N 2.063 121.941 119.914 -0.060 0.000 2.357 396 V HA 0.437 4.557 4.120 -0.000 0.000 0.284 396 V C -0.959 175.142 176.094 0.013 0.000 1.018 396 V CA -0.060 62.227 62.300 -0.022 0.000 0.841 396 V CB 1.380 33.171 31.823 -0.053 0.000 0.991 396 V HN 0.732 nan 8.190 nan 0.000 0.437 397 S N 5.612 121.337 115.700 0.042 0.000 2.525 397 S HA 0.690 5.160 4.470 -0.000 0.000 0.290 397 S C -0.568 174.078 174.600 0.077 0.000 1.152 397 S CA -0.488 57.743 58.200 0.052 0.000 1.072 397 S CB 1.323 64.549 63.200 0.042 0.000 1.027 397 S HN 0.946 nan 8.310 nan 0.000 0.500 398 C N 2.503 121.850 119.300 0.080 0.000 2.563 398 C HA 0.671 5.130 4.460 -0.000 0.000 0.314 398 C C -0.082 174.943 174.990 0.059 0.000 1.199 398 C CA -0.687 58.375 59.018 0.073 0.000 1.564 398 C CB 1.207 29.006 27.740 0.099 0.000 2.173 398 C HN 0.671 nan 8.230 nan 0.000 0.485 399 V N 4.669 124.607 119.914 0.040 0.000 2.427 399 V HA 0.646 4.766 4.120 -0.000 0.000 0.286 399 V C 0.010 176.122 176.094 0.031 0.000 1.034 399 V CA -0.108 62.215 62.300 0.039 0.000 0.893 399 V CB 1.165 33.004 31.823 0.027 0.000 0.982 399 V HN 0.795 nan 8.190 nan 0.000 0.452 400 I N -0.165 120.431 120.570 0.042 0.000 3.074 400 I HA 0.620 4.790 4.170 -0.000 0.000 0.310 400 I C -0.431 175.706 176.117 0.033 0.000 1.153 400 I CA -0.960 60.359 61.300 0.032 0.000 0.993 400 I CB 2.006 40.028 38.000 0.037 0.000 1.237 400 I HN 0.397 nan 8.210 nan 0.000 0.443 401 D N 2.713 123.125 120.400 0.020 0.000 2.487 401 D HA -0.072 4.568 4.640 -0.000 0.000 0.243 401 D C 0.907 177.227 176.300 0.034 0.000 1.154 401 D CA 0.545 54.557 54.000 0.020 0.000 0.876 401 D CB 1.470 42.275 40.800 0.008 0.000 1.161 401 D HN 0.771 nan 8.370 nan 0.000 0.478 402 Q N 4.720 124.548 119.800 0.047 0.000 2.173 402 Q HA -0.245 4.095 4.340 -0.000 0.000 0.208 402 Q C 1.556 177.584 176.000 0.047 0.000 0.989 402 Q CA 1.785 57.632 55.803 0.073 0.000 0.872 402 Q CB -0.024 28.756 28.738 0.071 0.000 0.909 402 Q HN 0.514 nan 8.270 nan 0.000 0.420 403 R N -0.231 120.284 120.500 0.025 0.000 2.237 403 R HA -0.074 4.266 4.340 -0.000 0.000 0.219 403 R C 0.908 177.205 176.300 -0.006 0.000 1.080 403 R CA 1.084 57.190 56.100 0.010 0.000 0.995 403 R CB 0.070 30.374 30.300 0.006 0.000 0.875 403 R HN 0.347 nan 8.270 nan 0.000 0.462 404 D N -0.067 120.329 120.400 -0.006 0.000 2.350 404 D HA 0.080 4.720 4.640 -0.000 0.000 0.213 404 D C 1.526 177.796 176.300 -0.049 0.000 1.031 404 D CA 0.390 54.379 54.000 -0.019 0.000 0.861 404 D CB 0.269 41.066 40.800 -0.006 0.000 0.926 404 D HN 0.160 nan 8.370 nan 0.000 0.520 405 A N 1.998 124.775 122.820 -0.072 0.000 1.883 405 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 405 A C 1.844 179.262 177.584 -0.276 0.000 1.186 405 A CA 2.111 54.027 52.037 -0.202 0.000 0.624 405 A CB -0.464 18.374 19.000 -0.271 0.000 0.822 405 A HN 0.263 nan 8.150 nan 0.000 0.444 406 D N 0.799 121.081 120.400 -0.196 0.000 2.106 406 D HA -0.282 4.358 4.640 -0.000 0.000 0.191 406 D C 1.930 178.164 176.300 -0.109 0.000 0.997 406 D CA 1.908 55.815 54.000 -0.155 0.000 0.834 406 D CB -0.877 39.871 40.800 -0.086 0.000 0.956 406 D HN 0.719 nan 8.370 nan 0.000 0.448 407 R N 0.892 121.347 120.500 -0.074 0.000 2.148 407 R HA 0.239 4.579 4.340 -0.000 0.000 0.223 407 R C 2.232 178.509 176.300 -0.039 0.000 1.088 407 R CA 1.075 57.148 56.100 -0.045 0.000 0.985 407 R CB -0.473 29.811 30.300 -0.028 0.000 0.880 407 R HN 0.223 nan 8.270 nan 0.000 0.451 408 A N 2.006 124.795 122.820 -0.052 0.000 1.872 408 A HA 0.007 4.327 4.320 -0.000 0.000 0.214 408 A C 2.221 179.789 177.584 -0.026 0.000 1.187 408 A CA 0.941 52.962 52.037 -0.026 0.000 0.614 408 A CB -0.355 18.631 19.000 -0.024 0.000 0.826 408 A HN 0.257 nan 8.150 nan 0.000 0.442 409 I N -0.199 120.321 120.570 -0.084 0.000 2.252 409 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 409 I C 2.950 179.051 176.117 -0.026 0.000 1.102 409 I CA 0.999 62.257 61.300 -0.071 0.000 1.385 409 I CB -0.259 37.644 38.000 -0.163 0.000 1.064 409 I HN 0.351 nan 8.210 nan 0.000 0.414 410 A N 0.676 123.473 122.820 -0.038 0.000 1.902 410 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 410 A C 2.528 180.114 177.584 0.003 0.000 1.181 410 A CA 1.822 53.849 52.037 -0.017 0.000 0.623 410 A CB -0.825 18.160 19.000 -0.024 0.000 0.818 410 A HN 0.423 nan 8.150 nan 0.000 0.443 411 A N -0.411 122.412 122.820 0.005 0.000 1.930 411 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 411 A C 2.166 179.776 177.584 0.043 0.000 1.175 411 A CA 1.447 53.492 52.037 0.014 0.000 0.627 411 A CB -0.522 18.486 19.000 0.014 0.000 0.815 411 A HN 0.466 nan 8.150 nan 0.000 0.443 412 L N -1.032 120.243 121.223 0.087 0.000 2.072 412 L HA -0.108 4.232 4.340 -0.000 0.000 0.205 412 L C 2.895 179.895 176.870 0.217 0.000 1.079 412 L CA 1.282 56.244 54.840 0.202 0.000 0.752 412 L CB -0.452 41.719 42.059 0.187 0.000 0.906 412 L HN 0.492 nan 8.230 nan 0.000 0.436 413 S N 0.342 116.109 115.700 0.112 0.000 2.359 413 S HA -0.213 4.257 4.470 -0.000 0.000 0.224 413 S C 1.856 176.503 174.600 0.077 0.000 1.035 413 S CA 1.932 60.184 58.200 0.087 0.000 1.018 413 S CB -0.178 63.047 63.200 0.042 0.000 0.876 413 S HN 0.409 nan 8.310 nan 0.000 0.448 414 N N 1.445 120.169 118.700 0.040 0.000 2.106 414 N HA 0.080 4.819 4.740 -0.000 0.000 0.188 414 N C 1.878 177.373 175.510 -0.026 0.000 1.029 414 N CA 1.489 54.543 53.050 0.007 0.000 0.848 414 N CB -0.880 37.600 38.487 -0.010 0.000 1.007 414 N HN 0.486 nan 8.380 nan 0.000 0.423 415 A N -0.625 122.154 122.820 -0.069 0.000 1.972 415 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 415 A C 1.449 178.812 177.584 -0.369 0.000 1.169 415 A CA 1.019 52.905 52.037 -0.252 0.000 0.635 415 A CB -0.611 18.159 19.000 -0.383 0.000 0.810 415 A HN 0.304 nan 8.150 nan 0.000 0.446 416 F N -0.788 119.152 119.950 -0.016 0.000 2.695 416 F HA 0.356 4.882 4.527 -0.000 0.000 0.303 416 F C 1.677 177.468 175.800 -0.014 0.000 1.091 416 F CA 0.399 58.389 58.000 -0.018 0.000 1.300 416 F CB 0.212 39.198 39.000 -0.023 0.000 1.071 416 F HN 0.303 nan 8.300 nan 0.000 0.578 417 G N 1.948 110.814 108.800 0.111 0.000 2.341 417 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.292 417 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.292 417 G C -0.040 174.904 174.900 0.073 0.000 1.021 417 G CA 0.503 45.645 45.100 0.069 0.000 0.905 417 G HN 0.512 nan 8.290 nan 0.000 0.508 418 V N -4.363 115.603 119.914 0.087 0.000 3.155 418 V HA 0.974 5.094 4.120 -0.000 0.000 0.313 418 V C 0.240 176.357 176.094 0.038 0.000 1.162 418 V CA -0.352 61.980 62.300 0.053 0.000 1.048 418 V CB 2.055 33.904 31.823 0.043 0.000 1.092 418 V HN 0.316 nan 8.190 nan 0.000 0.447 419 T N 1.966 116.532 114.554 0.020 0.000 2.925 419 T HA 0.494 4.844 4.350 -0.000 0.000 0.285 419 T C -0.252 174.457 174.700 0.015 0.000 1.021 419 T CA -0.459 61.651 62.100 0.017 0.000 1.042 419 T CB 1.308 70.181 68.868 0.009 0.000 1.037 419 T HN 0.845 nan 8.240 nan 0.000 0.481 420 L N 3.134 124.371 121.223 0.022 0.000 2.628 420 L HA 0.069 4.409 4.340 -0.000 0.000 0.274 420 L C 0.555 177.438 176.870 0.022 0.000 1.209 420 L CA 0.203 55.062 54.840 0.032 0.000 0.930 420 L CB 0.385 42.474 42.059 0.049 0.000 1.183 420 L HN 0.679 nan 8.230 nan 0.000 0.492 421 S N 5.685 121.394 115.700 0.016 0.000 2.579 421 S HA 0.267 4.737 4.470 -0.000 0.000 0.275 421 S C -2.121 172.485 174.600 0.010 0.000 1.345 421 S CA -0.847 57.353 58.200 0.001 0.000 1.031 421 S CB 0.789 63.982 63.200 -0.011 0.000 0.892 421 S HN 0.522 nan 8.310 nan 0.000 0.529 422 P HA 0.413 nan 4.420 nan 0.000 0.281 422 P C -2.480 174.814 177.300 -0.011 0.000 1.249 422 P CA -1.455 61.643 63.100 -0.002 0.000 0.810 422 P CB -0.438 31.255 31.700 -0.010 0.000 1.008 423 P HA 0.103 nan 4.420 nan 0.000 0.268 423 P C -0.451 176.834 177.300 -0.024 0.000 1.208 423 P CA -0.134 62.950 63.100 -0.026 0.000 0.777 423 P CB 0.334 32.014 31.700 -0.033 0.000 0.875 424 K N -0.320 120.064 120.400 -0.026 0.000 2.095 424 K HA 0.560 4.880 4.320 -0.000 0.000 0.252 424 K C 0.983 177.570 176.600 -0.023 0.000 0.977 424 K CA -0.774 55.498 56.287 -0.025 0.000 0.900 424 K CB 0.144 32.628 32.500 -0.027 0.000 1.060 424 K HN 0.385 nan 8.250 nan 0.000 0.449 425 N N 0.640 119.327 118.700 -0.021 0.000 2.097 425 N HA 0.167 4.907 4.740 -0.000 0.000 0.235 425 N C 0.416 175.916 175.510 -0.016 0.000 1.252 425 N CA 1.479 54.519 53.050 -0.018 0.000 0.944 425 N CB -0.708 37.769 38.487 -0.017 0.000 1.005 425 N HN 0.940 nan 8.380 nan 0.000 0.399 426 Q N -3.477 116.314 119.800 -0.015 0.000 2.435 426 Q HA 0.700 5.040 4.340 -0.000 0.000 0.282 426 Q C -0.233 175.760 176.000 -0.012 0.000 1.020 426 Q CA -0.024 55.772 55.803 -0.012 0.000 0.820 426 Q CB 0.498 29.232 28.738 -0.008 0.000 1.436 426 Q HN 1.764 nan 8.270 nan 0.000 0.395 427 T N -1.190 113.358 114.554 -0.010 0.000 2.865 427 T HA 1.056 5.406 4.350 -0.000 0.000 0.294 427 T C 0.534 175.231 174.700 -0.004 0.000 1.119 427 T CA 1.209 63.302 62.100 -0.012 0.000 1.007 427 T CB 0.332 69.186 68.868 -0.022 0.000 1.225 427 T HN 2.455 nan 8.240 nan 0.000 0.515 433 P HA 0.378 nan 4.420 nan 0.000 0.274 433 P C 0.499 177.650 177.300 -0.248 0.000 1.231 433 P CA -0.251 62.751 63.100 -0.164 0.000 0.790 433 P CB 0.885 32.507 31.700 -0.130 0.000 0.951 434 A N 1.687 124.306 122.820 -0.334 0.000 1.877 434 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 434 A C 0.811 178.160 177.584 -0.391 0.000 1.186 434 A CA 1.411 53.195 52.037 -0.423 0.000 0.620 434 A CB -0.533 18.204 19.000 -0.439 0.000 0.822 434 A HN 0.413 nan 8.150 nan 0.000 0.443 435 V N -1.041 118.625 119.914 -0.414 0.000 2.540 435 V HA 0.442 4.562 4.120 -0.000 0.000 0.302 435 V C 0.904 176.814 176.094 -0.307 0.000 1.035 435 V CA -0.430 61.565 62.300 -0.509 0.000 0.873 435 V CB 1.606 32.832 31.823 -0.996 0.000 0.992 435 V HN 0.585 nan 8.190 nan 0.000 0.428 436 R N 2.785 123.133 120.500 -0.254 0.000 2.167 436 R HA 0.493 4.832 4.340 -0.000 0.000 0.201 436 R C 0.651 176.865 176.300 -0.143 0.000 1.024 436 R CA 1.023 57.021 56.100 -0.169 0.000 1.053 436 R CB 0.735 30.954 30.300 -0.134 0.000 0.987 436 R HN 0.875 nan 8.270 nan 0.000 0.493 437 G N -0.363 108.342 108.800 -0.157 0.000 2.660 437 G HA2 0.471 4.431 3.960 -0.000 0.000 0.290 437 G HA3 0.471 4.431 3.960 -0.000 0.000 0.290 437 G C -1.618 173.212 174.900 -0.117 0.000 1.432 437 G CA -0.184 44.857 45.100 -0.098 0.000 0.807 437 G HN 0.197 nan 8.290 nan 0.000 0.485 438 V N -2.916 116.977 119.914 -0.035 0.000 3.040 438 V HA 1.033 5.153 4.120 -0.000 0.000 0.312 438 V C -0.070 176.029 176.094 0.007 0.000 1.115 438 V CA -0.504 61.768 62.300 -0.047 0.000 0.998 438 V CB 1.257 33.070 31.823 -0.018 0.000 1.042 438 V HN 2.306 nan 8.190 nan 0.000 0.433 439 A N 2.402 125.223 122.820 0.002 0.000 2.609 439 A HA 0.951 5.271 4.320 -0.000 0.000 0.291 439 A C -1.808 175.801 177.584 0.042 0.000 1.096 439 A CA -0.655 51.395 52.037 0.021 0.000 0.684 439 A CB 1.947 20.953 19.000 0.010 0.000 1.282 439 A HN 1.828 nan 8.150 nan 0.000 0.412 440 L N 0.928 122.176 121.223 0.041 0.000 2.438 440 L HA 0.716 5.056 4.340 -0.000 0.000 0.270 440 L C -1.656 175.239 176.870 0.042 0.000 0.972 440 L CA -0.094 54.776 54.840 0.051 0.000 0.831 440 L CB 2.024 44.111 42.059 0.046 0.000 1.273 440 L HN 0.709 nan 8.230 nan 0.000 0.405 441 D N 3.131 123.560 120.400 0.048 0.000 2.481 441 D HA 0.334 4.974 4.640 -0.000 0.000 0.246 441 D C -0.454 175.869 176.300 0.039 0.000 1.109 441 D CA -0.135 53.889 54.000 0.041 0.000 0.845 441 D CB 1.604 42.430 40.800 0.043 0.000 1.160 441 D HN 0.713 nan 8.370 nan 0.000 0.534 442 Q N 1.617 121.436 119.800 0.031 0.000 2.155 442 Q HA 0.273 4.613 4.340 -0.000 0.000 0.220 442 Q C -0.527 175.487 176.000 0.024 0.000 0.819 442 Q CA -0.296 55.523 55.803 0.027 0.000 1.032 442 Q CB 0.590 29.343 28.738 0.024 0.000 1.151 442 Q HN 0.112 nan 8.270 nan 0.000 0.487 443 D N 0.664 121.080 120.400 0.026 0.000 2.368 443 D HA 0.074 4.713 4.640 -0.000 0.000 0.218 443 D C -0.431 175.886 176.300 0.028 0.000 1.112 443 D CA 0.168 54.183 54.000 0.025 0.000 0.834 443 D CB 0.586 41.402 40.800 0.026 0.000 0.953 443 D HN 0.118 nan 8.370 nan 0.000 0.505 444 Q N 0.387 120.204 119.800 0.029 0.000 2.248 444 Q HA 0.754 5.093 4.340 -0.000 0.000 0.263 444 Q C -1.111 174.898 176.000 0.015 0.000 1.007 444 Q CA -0.792 55.029 55.803 0.030 0.000 0.877 444 Q CB 1.874 30.636 28.738 0.039 0.000 1.315 444 Q HN 0.091 nan 8.270 nan 0.000 0.454 445 A N 1.898 124.722 122.820 0.006 0.000 2.342 445 A HA 0.487 4.807 4.320 -0.000 0.000 0.323 445 A C -1.264 176.280 177.584 -0.068 0.000 1.125 445 A CA -0.634 51.389 52.037 -0.024 0.000 0.785 445 A CB 1.312 20.297 19.000 -0.024 0.000 1.221 445 A HN 0.673 nan 8.150 nan 0.000 0.463 446 Q N 1.879 121.630 119.800 -0.081 0.000 2.267 446 Q HA 0.591 4.931 4.340 -0.000 0.000 0.255 446 Q C -1.403 174.457 176.000 -0.234 0.000 0.923 446 Q CA -0.022 55.699 55.803 -0.137 0.000 0.925 446 Q CB 0.529 29.224 28.738 -0.072 0.000 1.195 446 Q HN 0.665 nan 8.270 nan 0.000 0.417 447 I N 2.914 123.206 120.570 -0.463 0.000 2.478 447 I HA 0.528 4.698 4.170 -0.000 0.000 0.287 447 I C -0.874 174.948 176.117 -0.492 0.000 1.042 447 I CA -0.832 60.142 61.300 -0.544 0.000 1.067 447 I CB 1.973 39.483 38.000 -0.817 0.000 1.233 447 I HN 0.651 nan 8.210 nan 0.000 0.431 448 A N 6.264 128.968 122.820 -0.193 0.000 2.342 448 A HA 0.818 5.137 4.320 -0.000 0.000 0.323 448 A C -0.933 176.662 177.584 0.018 0.000 1.125 448 A CA -0.502 51.502 52.037 -0.054 0.000 0.785 448 A CB 1.493 20.456 19.000 -0.060 0.000 1.221 448 A HN 0.678 nan 8.150 nan 0.000 0.463 449 I N 2.227 122.862 120.570 0.108 0.000 2.359 449 I HA 0.431 4.600 4.170 -0.000 0.000 0.284 449 I C -0.105 176.061 176.117 0.082 0.000 1.018 449 I CA -0.567 60.804 61.300 0.118 0.000 1.173 449 I CB 0.741 38.852 38.000 0.186 0.000 1.326 449 I HN 0.530 nan 8.210 nan 0.000 0.462 450 R N 5.801 126.306 120.500 0.009 0.000 2.491 450 R HA 0.191 4.531 4.340 -0.000 0.000 0.283 450 R C -0.251 176.059 176.300 0.016 0.000 1.072 450 R CA -0.142 55.887 56.100 -0.119 0.000 1.048 450 R CB -0.132 30.009 30.300 -0.264 0.000 0.983 450 R HN 0.752 nan 8.270 nan 0.000 0.450 451 H N -1.391 117.708 119.070 0.049 0.000 2.889 451 H HA -0.116 4.440 4.556 -0.000 0.000 0.324 451 H C -0.674 174.650 175.328 -0.007 0.000 1.274 451 H CA -0.019 56.044 56.048 0.024 0.000 1.176 451 H CB -1.985 27.804 29.762 0.045 0.000 1.479 451 H HN 0.226 nan 8.280 nan 0.000 0.438 452 V N 1.782 121.727 119.914 0.050 0.000 2.508 452 V HA 0.132 4.252 4.120 -0.000 0.000 0.281 452 V C -1.528 174.357 176.094 -0.349 0.000 1.041 452 V CA -1.151 61.015 62.300 -0.223 0.000 1.016 452 V CB 1.097 32.862 31.823 -0.095 0.000 0.984 452 V HN 0.119 nan 8.190 nan 0.000 0.478 453 P HA -0.019 nan 4.420 nan 0.000 0.261 453 P C -0.278 176.840 177.300 -0.304 0.000 1.183 453 P CA 0.129 62.951 63.100 -0.462 0.000 0.761 453 P CB 0.228 31.551 31.700 -0.629 0.000 0.785 454 D N 4.487 124.772 120.400 -0.191 0.000 2.688 454 D HA 0.043 4.683 4.640 -0.000 0.000 0.228 454 D C 0.072 176.303 176.300 -0.116 0.000 1.116 454 D CA -0.159 53.762 54.000 -0.133 0.000 1.023 454 D CB -0.374 40.371 40.800 -0.091 0.000 1.100 454 D HN 0.287 nan 8.370 nan 0.000 0.487 455 R N 0.170 120.593 120.500 -0.128 0.000 2.774 455 R HA 0.679 5.019 4.340 -0.000 0.000 0.272 455 R C -2.991 173.266 176.300 -0.071 0.000 1.000 455 R CA -2.098 53.947 56.100 -0.091 0.000 0.906 455 R CB 0.387 30.631 30.300 -0.094 0.000 1.227 455 R HN -0.139 nan 8.270 nan 0.000 0.468 456 P HA 0.042 nan 4.420 nan 0.000 0.265 456 P C 0.565 177.866 177.300 0.002 0.000 1.187 456 P CA 1.473 64.564 63.100 -0.016 0.000 0.766 456 P CB 0.665 32.362 31.700 -0.003 0.000 0.820 457 G N 1.688 110.505 108.800 0.028 0.000 2.217 457 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.246 457 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.246 457 G C 1.043 175.995 174.900 0.086 0.000 0.990 457 G CA 0.278 45.417 45.100 0.065 0.000 0.627 457 G HN 0.361 nan 8.290 nan 0.000 0.522 458 M N 0.752 120.375 119.600 0.039 0.000 2.077 458 M HA 0.131 4.611 4.480 -0.000 0.000 0.261 458 M C 3.029 179.410 176.300 0.136 0.000 1.070 458 M CA 2.352 57.690 55.300 0.063 0.000 1.125 458 M CB -1.653 30.874 32.600 -0.121 0.000 1.339 458 M HN 0.679 nan 8.290 nan 0.000 0.409 459 A N 0.410 123.277 122.820 0.078 0.000 1.908 459 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 459 A C 2.471 180.300 177.584 0.408 0.000 1.181 459 A CA 2.320 54.461 52.037 0.174 0.000 0.627 459 A CB -1.012 17.857 19.000 -0.218 0.000 0.818 459 A HN 0.501 nan 8.150 nan 0.000 0.445 460 A N 0.170 123.186 122.820 0.327 0.000 1.873 460 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 460 A C 2.266 180.001 177.584 0.253 0.000 1.193 460 A CA 2.131 54.379 52.037 0.351 0.000 0.629 460 A CB -0.764 18.376 19.000 0.234 0.000 0.826 460 A HN 0.800 nan 8.150 nan 0.000 0.447 461 Q N -0.450 119.463 119.800 0.188 0.000 2.167 461 Q HA -0.052 4.288 4.340 -0.000 0.000 0.202 461 Q C 1.886 177.930 176.000 0.073 0.000 0.970 461 Q CA 1.508 57.388 55.803 0.129 0.000 0.855 461 Q CB -0.359 28.461 28.738 0.137 0.000 0.911 461 Q HN 0.615 nan 8.270 nan 0.000 0.438 462 L N -0.590 120.666 121.223 0.054 0.000 2.072 462 L HA -0.026 4.314 4.340 -0.000 0.000 0.205 462 L C 1.976 178.655 176.870 -0.319 0.000 1.079 462 L CA 0.900 55.640 54.840 -0.167 0.000 0.752 462 L CB -0.255 41.640 42.059 -0.274 0.000 0.906 462 L HN 0.167 nan 8.230 nan 0.000 0.436 463 F N -0.664 119.310 119.950 0.039 0.000 2.416 463 F HA -0.075 4.452 4.527 -0.000 0.000 0.296 463 F C 2.559 178.356 175.800 -0.005 0.000 1.099 463 F CA 0.871 58.867 58.000 -0.007 0.000 1.427 463 F CB -0.838 38.215 39.000 0.088 0.000 1.079 463 F HN -0.066 nan 8.300 nan 0.000 0.536 464 T N -0.074 114.576 114.554 0.159 0.000 2.746 464 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 464 T C 2.363 177.086 174.700 0.038 0.000 1.039 464 T CA 1.292 63.444 62.100 0.088 0.000 1.142 464 T CB -0.533 68.381 68.868 0.078 0.000 0.866 464 T HN 0.278 nan 8.240 nan 0.000 0.444 465 A N 1.378 124.201 122.820 0.006 0.000 1.883 465 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 465 A C 2.289 179.860 177.584 -0.022 0.000 1.186 465 A CA 1.345 53.369 52.037 -0.022 0.000 0.624 465 A CB -0.919 18.048 19.000 -0.055 0.000 0.822 465 A HN 0.483 nan 8.150 nan 0.000 0.444 466 L N -0.971 120.227 121.223 -0.043 0.000 2.083 466 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 466 L C 3.015 179.898 176.870 0.022 0.000 1.083 466 L CA 1.038 55.866 54.840 -0.020 0.000 0.752 466 L CB -0.471 41.552 42.059 -0.059 0.000 0.899 466 L HN 0.453 nan 8.230 nan 0.000 0.433 467 A N -0.427 122.415 122.820 0.037 0.000 1.968 467 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 467 A C 2.093 179.693 177.584 0.027 0.000 1.169 467 A CA 1.028 53.090 52.037 0.040 0.000 0.638 467 A CB -0.284 18.743 19.000 0.045 0.000 0.812 467 A HN 0.404 nan 8.150 nan 0.000 0.446 468 E N -0.395 119.817 120.200 0.020 0.000 2.347 468 E HA 0.027 4.377 4.350 -0.000 0.000 0.196 468 E C 1.513 178.121 176.600 0.014 0.000 1.008 468 E CA 0.576 56.984 56.400 0.014 0.000 0.852 468 E CB -0.087 29.619 29.700 0.010 0.000 0.783 468 E HN 0.594 nan 8.360 nan 0.000 0.505 469 A N 0.775 123.604 122.820 0.016 0.000 2.379 469 A HA 0.073 4.393 4.320 -0.000 0.000 0.236 469 A C 0.654 178.253 177.584 0.025 0.000 1.272 469 A CA -0.197 51.850 52.037 0.018 0.000 0.886 469 A CB 0.134 19.144 19.000 0.016 0.000 0.962 469 A HN 0.172 nan 8.150 nan 0.000 0.504 470 N N -1.034 117.683 118.700 0.027 0.000 2.850 470 N HA -0.143 4.597 4.740 -0.000 0.000 0.249 470 N C -0.401 175.133 175.510 0.041 0.000 1.060 470 N CA 0.855 53.924 53.050 0.031 0.000 0.825 470 N CB -1.390 37.113 38.487 0.027 0.000 1.132 470 N HN 0.580 nan 8.380 nan 0.000 0.564 471 I N 1.133 121.732 120.570 0.048 0.000 2.396 471 I HA 0.075 4.245 4.170 -0.000 0.000 0.289 471 I C 0.973 177.135 176.117 0.076 0.000 1.056 471 I CA -0.031 61.309 61.300 0.067 0.000 1.365 471 I CB 1.259 39.308 38.000 0.081 0.000 1.407 471 I HN 0.053 nan 8.210 nan 0.000 0.509 472 S N 6.037 121.784 115.700 0.077 0.000 2.537 472 S HA 0.510 4.979 4.470 -0.000 0.000 0.275 472 S C -0.410 174.257 174.600 0.110 0.000 1.272 472 S CA -0.616 57.630 58.200 0.076 0.000 1.050 472 S CB 0.930 64.166 63.200 0.059 0.000 0.961 472 S HN 0.330 nan 8.310 nan 0.000 0.496 473 V N 4.622 124.604 119.914 0.112 0.000 2.483 473 V HA 0.328 4.448 4.120 -0.000 0.000 0.295 473 V C 0.770 176.938 176.094 0.124 0.000 1.035 473 V CA -0.469 61.933 62.300 0.170 0.000 0.896 473 V CB 1.655 33.588 31.823 0.184 0.000 0.986 473 V HN 1.041 nan 8.190 nan 0.000 0.447 474 D N 2.658 123.149 120.400 0.153 0.000 2.262 474 D HA 0.119 4.759 4.640 -0.000 0.000 0.212 474 D C 0.348 176.708 176.300 0.101 0.000 0.964 474 D CA 0.983 55.046 54.000 0.105 0.000 0.875 474 D CB 0.367 41.227 40.800 0.099 0.000 0.996 474 D HN 0.353 nan 8.370 nan 0.000 0.497 475 M N 0.689 120.378 119.600 0.149 0.000 2.433 475 M HA 0.387 4.867 4.480 -0.000 0.000 0.290 475 M C -1.363 175.058 176.300 0.201 0.000 1.173 475 M CA -0.536 54.847 55.300 0.138 0.000 0.905 475 M CB 2.462 35.135 32.600 0.122 0.000 1.692 475 M HN -0.137 nan 8.290 nan 0.000 0.462 476 I N 3.910 124.567 120.570 0.144 0.000 2.534 476 I HA 0.572 4.742 4.170 -0.000 0.000 0.288 476 I C -0.979 175.219 176.117 0.134 0.000 1.077 476 I CA -0.537 60.865 61.300 0.171 0.000 1.051 476 I CB 2.266 40.285 38.000 0.031 0.000 1.234 476 I HN 0.594 nan 8.210 nan 0.000 0.425 477 I N 5.623 126.285 120.570 0.155 0.000 2.466 477 I HA 0.461 4.631 4.170 -0.000 0.000 0.289 477 I C -0.767 175.408 176.117 0.096 0.000 1.026 477 I CA -0.487 60.877 61.300 0.107 0.000 1.078 477 I CB 2.140 40.196 38.000 0.094 0.000 1.249 477 I HN 0.593 nan 8.210 nan 0.000 0.429 478 Q N 4.525 124.361 119.800 0.061 0.000 2.271 478 Q HA 0.507 4.846 4.340 -0.000 0.000 0.268 478 Q C -1.449 174.566 176.000 0.026 0.000 1.021 478 Q CA -0.209 55.618 55.803 0.039 0.000 0.802 478 Q CB 2.755 31.498 28.738 0.009 0.000 1.282 478 Q HN 0.773 nan 8.270 nan 0.000 0.431 479 S N 2.326 118.040 115.700 0.022 0.000 3.896 479 S HA 0.369 4.839 4.470 -0.000 0.000 0.187 479 S C -0.620 173.984 174.600 0.006 0.000 1.007 479 S CA -0.138 58.074 58.200 0.019 0.000 1.499 479 S CB 0.628 63.845 63.200 0.029 0.000 0.986 479 S HN 0.671 nan 8.310 nan 0.000 0.827 480 Q N 1.702 121.505 119.800 0.005 0.000 2.318 480 Q HA 0.384 4.723 4.340 -0.000 0.000 0.222 480 Q C -0.378 175.621 176.000 -0.002 0.000 1.003 480 Q CA -0.036 55.766 55.803 -0.003 0.000 0.936 480 Q CB 0.157 28.893 28.738 -0.003 0.000 1.204 480 Q HN 0.444 nan 8.270 nan 0.000 0.524 481 R N -0.118 120.378 120.500 -0.007 0.000 2.623 481 R HA 0.117 4.457 4.340 -0.000 0.000 0.271 481 R C -0.181 176.127 176.300 0.014 0.000 1.043 481 R CA -0.251 55.847 56.100 -0.003 0.000 1.083 481 R CB 0.163 30.453 30.300 -0.016 0.000 0.974 481 R HN 0.541 nan 8.270 nan 0.000 0.436 482 C N 3.054 122.379 119.300 0.042 0.000 2.642 482 C HA 0.061 4.521 4.460 -0.000 0.000 0.420 482 C C 0.857 175.876 174.990 0.049 0.000 1.349 482 C CA -0.369 58.698 59.018 0.082 0.000 1.821 482 C CB -0.569 27.306 27.740 0.223 0.000 2.637 482 C HN 0.677 nan 8.230 nan 0.000 0.605 483 R N 3.604 124.132 120.500 0.046 0.000 2.343 483 R HA 0.512 4.852 4.340 -0.000 0.000 0.326 483 R C -0.245 176.071 176.300 0.027 0.000 1.055 483 R CA 0.382 56.497 56.100 0.025 0.000 0.961 483 R CB -0.140 30.172 30.300 0.019 0.000 0.978 483 R HN 0.820 nan 8.270 nan 0.000 0.443 484 I N -1.506 119.061 120.570 -0.006 0.000 2.722 484 I HA 0.276 4.446 4.170 -0.000 0.000 0.295 484 I C 0.328 176.426 176.117 -0.031 0.000 1.161 484 I CA -1.097 60.185 61.300 -0.030 0.000 1.032 484 I CB 2.130 40.074 38.000 -0.093 0.000 1.244 484 I HN 0.377 nan 8.210 nan 0.000 0.421 485 N N 3.215 121.899 118.700 -0.026 0.000 2.006 485 N HA -0.166 4.574 4.740 -0.000 0.000 0.193 485 N C 0.622 176.114 175.510 -0.029 0.000 1.090 485 N CA 2.419 55.456 53.050 -0.022 0.000 0.883 485 N CB -0.017 38.460 38.487 -0.017 0.000 1.063 485 N HN 0.871 nan 8.380 nan 0.000 0.430 486 Q N -1.035 118.746 119.800 -0.032 0.000 2.194 486 Q HA 0.579 4.918 4.340 -0.000 0.000 0.245 486 Q C 0.456 176.426 176.000 -0.049 0.000 0.993 486 Q CA -0.250 55.532 55.803 -0.035 0.000 0.930 486 Q CB 0.607 29.329 28.738 -0.027 0.000 1.238 486 Q HN 0.904 nan 8.270 nan 0.000 0.486 487 G N -0.580 108.191 108.800 -0.048 0.000 2.423 487 G HA2 0.382 4.342 3.960 -0.000 0.000 0.684 487 G HA3 0.382 4.342 3.960 -0.000 0.000 0.684 487 G C 0.067 174.926 174.900 -0.068 0.000 1.309 487 G CA 0.032 45.096 45.100 -0.060 0.000 0.950 487 G HN 1.849 nan 8.290 nan 0.000 0.587 488 T N 0.609 115.118 114.554 -0.075 0.000 2.870 488 T HA 0.553 4.903 4.350 -0.000 0.000 0.300 488 T C -1.766 172.873 174.700 -0.102 0.000 0.989 488 T CA -0.608 61.443 62.100 -0.083 0.000 1.139 488 T CB 0.972 69.788 68.868 -0.087 0.000 0.920 488 T HN 0.517 nan 8.240 nan 0.000 0.537 489 P HA 0.342 nan 4.420 nan 0.000 0.269 489 P C -0.228 177.011 177.300 -0.103 0.000 1.211 489 P CA -0.514 62.535 63.100 -0.084 0.000 0.781 489 P CB 0.103 31.763 31.700 -0.067 0.000 0.877 490 C N -0.178 119.076 119.300 -0.077 0.000 3.292 490 C HA 0.760 5.220 4.460 -0.000 0.000 0.338 490 C C -1.332 173.657 174.990 -0.002 0.000 1.323 490 C CA -1.002 57.977 59.018 -0.066 0.000 1.232 490 C CB 1.752 29.450 27.740 -0.070 0.000 1.517 490 C HN 0.635 nan 8.230 nan 0.000 0.470 491 R N 0.633 121.135 120.500 0.003 0.000 2.771 491 R HA 0.640 4.980 4.340 -0.000 0.000 0.274 491 R C -1.586 174.736 176.300 0.036 0.000 0.987 491 R CA -0.587 55.526 56.100 0.021 0.000 0.908 491 R CB 1.521 31.816 30.300 -0.008 0.000 1.213 491 R HN 0.763 nan 8.270 nan 0.000 0.468 492 D N 1.456 121.869 120.400 0.023 0.000 2.304 492 D HA 0.335 4.975 4.640 -0.000 0.000 0.247 492 D C -0.203 176.127 176.300 0.051 0.000 1.089 492 D CA 0.120 54.127 54.000 0.011 0.000 0.910 492 D CB 1.137 41.910 40.800 -0.044 0.000 1.199 492 D HN 0.274 nan 8.370 nan 0.000 0.426 493 I N 1.327 121.958 120.570 0.100 0.000 2.410 493 I HA 0.445 4.615 4.170 -0.000 0.000 0.286 493 I C -0.248 176.010 176.117 0.235 0.000 1.009 493 I CA -0.800 60.609 61.300 0.181 0.000 1.111 493 I CB 1.721 39.871 38.000 0.249 0.000 1.262 493 I HN 0.266 nan 8.210 nan 0.000 0.443 494 A N 6.955 129.904 122.820 0.216 0.000 2.325 494 A HA 0.952 5.272 4.320 -0.000 0.000 0.333 494 A C -0.898 176.896 177.584 0.350 0.000 1.155 494 A CA -0.315 51.833 52.037 0.185 0.000 0.814 494 A CB 0.965 20.008 19.000 0.071 0.000 1.206 494 A HN 0.665 nan 8.150 nan 0.000 0.482 495 F N -0.944 119.105 119.950 0.166 0.000 2.686 495 F HA 0.832 5.359 4.527 -0.000 0.000 0.311 495 F C -1.096 174.790 175.800 0.143 0.000 1.128 495 F CA -1.367 56.753 58.000 0.200 0.000 0.946 495 F CB 1.408 40.637 39.000 0.382 0.000 1.336 495 F HN 0.436 nan 8.300 nan 0.000 0.457 496 M N 3.002 122.757 119.600 0.259 0.000 2.464 496 M HA 0.760 5.240 4.480 -0.000 0.000 0.308 496 M C -1.091 175.348 176.300 0.231 0.000 1.127 496 M CA -1.032 54.333 55.300 0.109 0.000 0.913 496 M CB 2.502 35.151 32.600 0.082 0.000 1.689 496 M HN 0.719 nan 8.290 nan 0.000 0.445 497 V N -0.618 119.384 119.914 0.146 0.000 3.130 497 V HA 0.961 5.081 4.120 -0.000 0.000 0.310 497 V C -0.289 175.860 176.094 0.093 0.000 1.158 497 V CA -1.315 61.086 62.300 0.167 0.000 1.029 497 V CB 1.467 33.429 31.823 0.232 0.000 1.057 497 V HN 0.965 nan 8.190 nan 0.000 0.436 498 A N 0.543 123.414 122.820 0.086 0.000 2.540 498 A HA 0.250 4.570 4.320 -0.000 0.000 0.239 498 A C 1.063 178.676 177.584 0.049 0.000 1.061 498 A CA 0.527 52.600 52.037 0.059 0.000 0.758 498 A CB -0.432 18.601 19.000 0.056 0.000 0.991 498 A HN 1.035 nan 8.150 nan 0.000 0.502 499 E N 2.487 122.707 120.200 0.034 0.000 2.187 499 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 499 E C 1.988 178.605 176.600 0.027 0.000 1.004 499 E CA 1.335 57.750 56.400 0.024 0.000 0.813 499 E CB -0.188 29.522 29.700 0.017 0.000 0.736 499 E HN 0.918 nan 8.360 nan 0.000 0.468 500 G N 1.321 110.140 108.800 0.030 0.000 2.450 500 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 500 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 500 G C 1.130 176.051 174.900 0.036 0.000 1.130 500 G CA 0.920 46.038 45.100 0.030 0.000 0.760 500 G HN 0.158 nan 8.290 nan 0.000 0.557 501 D N -0.304 120.125 120.400 0.049 0.000 2.360 501 D HA 0.124 4.764 4.640 -0.000 0.000 0.210 501 D C 2.400 178.740 176.300 0.066 0.000 1.047 501 D CA 0.178 54.215 54.000 0.062 0.000 0.854 501 D CB 0.334 41.184 40.800 0.083 0.000 0.936 501 D HN 0.145 nan 8.370 nan 0.000 0.514 502 S N 0.488 116.218 115.700 0.050 0.000 2.404 502 S HA -0.218 4.252 4.470 -0.000 0.000 0.230 502 S C 2.138 176.759 174.600 0.035 0.000 1.046 502 S CA 1.809 60.029 58.200 0.034 0.000 1.135 502 S CB -0.088 63.120 63.200 0.013 0.000 1.056 502 S HN 0.193 nan 8.310 nan 0.000 0.426 503 S N 0.658 116.373 115.700 0.026 0.000 2.353 503 S HA -0.178 4.292 4.470 -0.000 0.000 0.222 503 S C 2.031 176.647 174.600 0.026 0.000 1.035 503 S CA 1.446 59.658 58.200 0.020 0.000 1.025 503 S CB -0.538 62.671 63.200 0.015 0.000 0.902 503 S HN 0.576 nan 8.310 nan 0.000 0.440 504 Q N 0.727 120.546 119.800 0.031 0.000 2.135 504 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 504 Q C 2.269 178.293 176.000 0.041 0.000 0.981 504 Q CA 1.391 57.212 55.803 0.031 0.000 0.856 504 Q CB -0.330 28.427 28.738 0.031 0.000 0.902 504 Q HN 0.559 nan 8.270 nan 0.000 0.425 505 A N 1.102 123.964 122.820 0.069 0.000 1.865 505 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 505 A C 1.904 179.541 177.584 0.088 0.000 1.191 505 A CA 1.815 53.917 52.037 0.108 0.000 0.623 505 A CB -0.858 18.265 19.000 0.206 0.000 0.826 505 A HN 0.638 nan 8.150 nan 0.000 0.444 506 E N -0.161 120.080 120.200 0.068 0.000 2.058 506 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 506 E C 2.093 178.700 176.600 0.013 0.000 0.997 506 E CA 1.265 57.688 56.400 0.038 0.000 0.801 506 E CB -0.301 29.409 29.700 0.017 0.000 0.746 506 E HN 0.528 nan 8.360 nan 0.000 0.450 507 A N 0.737 123.563 122.820 0.010 0.000 1.972 507 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 507 A C 2.123 179.698 177.584 -0.015 0.000 1.169 507 A CA 1.298 53.333 52.037 -0.004 0.000 0.635 507 A CB -0.512 18.488 19.000 0.000 0.000 0.810 507 A HN 0.357 nan 8.150 nan 0.000 0.446 508 I N -0.672 119.892 120.570 -0.010 0.000 2.286 508 I HA -0.184 3.985 4.170 -0.000 0.000 0.245 508 I C 2.148 178.232 176.117 -0.056 0.000 1.104 508 I CA 0.930 62.213 61.300 -0.027 0.000 1.397 508 I CB -0.216 37.772 38.000 -0.019 0.000 1.072 508 I HN 0.250 nan 8.210 nan 0.000 0.417 509 L N -0.205 120.988 121.223 -0.051 0.000 2.270 509 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 509 L C 2.546 179.343 176.870 -0.120 0.000 1.104 509 L CA 0.529 55.315 54.840 -0.090 0.000 0.804 509 L CB -0.468 41.561 42.059 -0.050 0.000 0.937 509 L HN 0.211 nan 8.230 nan 0.000 0.450 510 Q N 0.961 120.711 119.800 -0.083 0.000 2.077 510 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 510 Q C -0.526 175.395 176.000 -0.131 0.000 0.989 510 Q CA 2.170 57.919 55.803 -0.091 0.000 0.853 510 Q CB -1.192 27.514 28.738 -0.055 0.000 0.907 510 Q HN 0.227 nan 8.270 nan 0.000 0.418 511 P HA -0.147 nan 4.420 nan 0.000 0.216 511 P C 0.757 177.930 177.300 -0.213 0.000 1.153 511 P CA 1.080 64.100 63.100 -0.133 0.000 0.858 511 P CB -0.037 31.603 31.700 -0.100 0.000 0.789 512 L N -1.057 120.004 121.223 -0.271 0.000 2.291 512 L HA -0.048 4.292 4.340 -0.000 0.000 0.214 512 L C 2.097 178.483 176.870 -0.808 0.000 1.120 512 L CA 1.317 55.912 54.840 -0.409 0.000 0.799 512 L CB -1.032 40.822 42.059 -0.341 0.000 0.925 512 L HN 0.063 nan 8.230 nan 0.000 0.446 513 I N -5.201 114.931 120.570 -0.729 0.000 3.956 513 I HA 0.192 4.362 4.170 -0.000 0.000 0.333 513 I C 2.198 178.036 176.117 -0.465 0.000 1.302 513 I CA 0.302 61.046 61.300 -0.927 0.000 1.122 513 I CB -0.669 37.056 38.000 -0.459 0.000 1.013 513 I HN 0.028 nan 8.210 nan 0.000 0.405 514 K N 2.089 122.296 120.400 -0.322 0.000 2.281 514 K HA -0.156 4.164 4.320 -0.000 0.000 0.203 514 K C 0.634 177.184 176.600 -0.083 0.000 1.046 514 K CA 2.047 58.243 56.287 -0.152 0.000 0.938 514 K CB -1.261 31.168 32.500 -0.118 0.000 0.737 514 K HN 0.846 nan 8.250 nan 0.000 0.458 515 D N -2.199 118.144 120.400 -0.096 0.000 2.804 515 D HA 0.164 4.804 4.640 -0.000 0.000 0.308 515 D C -0.951 175.490 176.300 0.236 0.000 1.371 515 D CA -0.703 53.324 54.000 0.045 0.000 0.823 515 D CB 0.083 40.912 40.800 0.047 0.000 1.126 515 D HN 0.369 nan 8.370 nan 0.000 0.467 516 W N 1.648 122.954 121.300 0.010 0.000 2.349 516 W HA 0.368 5.028 4.660 -0.000 0.000 0.309 516 W C 0.419 176.947 176.519 0.015 0.000 1.083 516 W CA -1.838 55.514 57.345 0.012 0.000 1.224 516 W CB 0.630 30.104 29.460 0.023 0.000 1.256 516 W HN 0.054 nan 8.180 nan 0.000 0.461 517 L N 6.224 127.564 121.223 0.195 0.000 2.667 517 L HA -0.151 4.189 4.340 -0.000 0.000 0.278 517 L C 0.475 177.410 176.870 0.108 0.000 1.217 517 L CA 1.229 56.128 54.840 0.097 0.000 0.935 517 L CB 0.366 42.435 42.059 0.018 0.000 1.193 517 L HN 0.582 nan 8.230 nan 0.000 0.493 518 D N 1.691 122.166 120.400 0.125 0.000 3.077 518 D HA -0.197 4.443 4.640 -0.000 0.000 0.217 518 D C 0.511 176.995 176.300 0.308 0.000 1.162 518 D CA 1.180 55.297 54.000 0.195 0.000 0.943 518 D CB -0.897 40.012 40.800 0.182 0.000 1.122 518 D HN 0.712 nan 8.370 nan 0.000 0.413 519 A N -0.095 122.892 122.820 0.279 0.000 2.406 519 A HA 0.653 4.973 4.320 -0.000 0.000 0.243 519 A C 0.639 178.315 177.584 0.153 0.000 1.082 519 A CA 0.837 53.048 52.037 0.290 0.000 0.786 519 A CB 0.808 20.058 19.000 0.416 0.000 1.029 519 A HN 0.896 nan 8.150 nan 0.000 0.495 520 A N 0.279 123.162 122.820 0.105 0.000 2.599 520 A HA 0.612 4.932 4.320 -0.000 0.000 0.294 520 A C -1.124 176.476 177.584 0.026 0.000 1.055 520 A CA -0.454 51.608 52.037 0.042 0.000 0.683 520 A CB 0.628 19.639 19.000 0.018 0.000 1.278 520 A HN 0.785 nan 8.150 nan 0.000 0.412 521 I N 1.374 121.949 120.570 0.009 0.000 2.436 521 I HA 0.590 4.760 4.170 -0.000 0.000 0.289 521 I C -0.766 175.343 176.117 -0.012 0.000 1.010 521 I CA -1.021 60.282 61.300 0.005 0.000 1.098 521 I CB 1.838 39.842 38.000 0.008 0.000 1.266 521 I HN 0.500 nan 8.210 nan 0.000 0.434 522 V N 8.056 127.953 119.914 -0.028 0.000 2.577 522 V HA 0.603 4.723 4.120 -0.000 0.000 0.303 522 V C -1.093 174.968 176.094 -0.056 0.000 1.042 522 V CA -0.486 61.794 62.300 -0.034 0.000 0.872 522 V CB 2.168 33.972 31.823 -0.031 0.000 0.998 522 V HN 0.487 nan 8.190 nan 0.000 0.423 523 V N 5.683 125.568 119.914 -0.047 0.000 2.547 523 V HA 0.758 4.878 4.120 -0.000 0.000 0.299 523 V C -0.804 175.265 176.094 -0.040 0.000 1.040 523 V CA -0.346 61.916 62.300 -0.064 0.000 0.913 523 V CB 1.924 33.712 31.823 -0.059 0.000 0.992 523 V HN 1.061 nan 8.190 nan 0.000 0.449 524 N N 4.182 122.855 118.700 -0.045 0.000 2.540 524 N HA 0.432 5.172 4.740 -0.000 0.000 0.275 524 N C 0.159 175.654 175.510 -0.025 0.000 1.053 524 N CA -0.476 52.560 53.050 -0.023 0.000 0.876 524 N CB 1.869 40.351 38.487 -0.008 0.000 1.284 524 N HN 0.773 nan 8.380 nan 0.000 0.518 525 K N 1.354 121.744 120.400 -0.016 0.000 2.296 525 K HA 0.168 4.488 4.320 -0.000 0.000 0.200 525 K C 0.387 176.984 176.600 -0.005 0.000 1.048 525 K CA 0.525 56.806 56.287 -0.011 0.000 0.966 525 K CB 0.317 32.814 32.500 -0.006 0.000 0.754 525 K HN 0.533 nan 8.250 nan 0.000 0.466 526 A N 2.506 125.324 122.820 -0.004 0.000 3.118 526 A HA 0.260 4.580 4.320 -0.000 0.000 0.256 526 A C 0.094 177.679 177.584 0.002 0.000 1.667 526 A CA -0.398 51.639 52.037 -0.000 0.000 1.338 526 A CB -1.039 17.959 19.000 -0.002 0.000 1.127 526 A HN 0.350 nan 8.150 nan 0.000 0.634 527 I N -2.924 117.649 120.570 0.005 0.000 2.785 527 I HA 0.934 5.104 4.170 -0.000 0.000 0.302 527 I C -0.251 175.877 176.117 0.019 0.000 1.069 527 I CA -1.170 60.136 61.300 0.010 0.000 1.045 527 I CB 2.385 40.390 38.000 0.009 0.000 1.236 527 I HN 0.173 nan 8.210 nan 0.000 0.429 528 A N 4.030 126.866 122.820 0.026 0.000 2.380 528 A HA 0.714 5.033 4.320 -0.000 0.000 0.315 528 A C -1.016 176.599 177.584 0.051 0.000 1.101 528 A CA -0.829 51.231 52.037 0.037 0.000 0.771 528 A CB 1.706 20.729 19.000 0.039 0.000 1.287 528 A HN 0.805 nan 8.150 nan 0.000 0.436 529 K N 1.601 122.038 120.400 0.061 0.000 2.307 529 K HA 0.608 4.928 4.320 -0.000 0.000 0.263 529 K C -1.490 175.174 176.600 0.106 0.000 0.973 529 K CA -0.378 55.958 56.287 0.082 0.000 0.846 529 K CB 1.267 33.812 32.500 0.075 0.000 1.100 529 K HN 0.478 nan 8.250 nan 0.000 0.438 530 V N 2.420 122.429 119.914 0.159 0.000 2.417 530 V HA 0.435 4.555 4.120 -0.000 0.000 0.291 530 V C -0.518 175.745 176.094 0.282 0.000 1.024 530 V CA -0.822 61.609 62.300 0.218 0.000 0.861 530 V CB 1.522 33.528 31.823 0.306 0.000 0.985 530 V HN 0.749 nan 8.190 nan 0.000 0.436 531 S N 5.020 120.805 115.700 0.142 0.000 2.526 531 S HA 0.778 5.248 4.470 -0.000 0.000 0.293 531 S C -0.468 174.039 174.600 -0.155 0.000 1.092 531 S CA -0.582 57.651 58.200 0.055 0.000 0.980 531 S CB 1.850 65.072 63.200 0.036 0.000 1.048 531 S HN 0.811 nan 8.310 nan 0.000 0.483 532 I N -0.268 120.106 120.570 -0.327 0.000 2.530 532 I HA 0.914 5.084 4.170 -0.000 0.000 0.297 532 I C -1.278 174.653 176.117 -0.309 0.000 1.011 532 I CA -0.960 60.068 61.300 -0.453 0.000 1.107 532 I CB 1.684 39.179 38.000 -0.841 0.000 1.285 532 I HN 0.296 nan 8.210 nan 0.000 0.436 533 V N 3.936 123.681 119.914 -0.281 0.000 2.789 533 V HA 0.948 5.068 4.120 -0.000 0.000 0.311 533 V C 0.084 176.035 176.094 -0.239 0.000 1.073 533 V CA -0.281 61.894 62.300 -0.209 0.000 0.921 533 V CB 1.856 33.599 31.823 -0.135 0.000 1.009 533 V HN 1.139 nan 8.190 nan 0.000 0.426 534 G N 1.544 110.218 108.800 -0.209 0.000 2.524 534 G HA2 0.360 4.320 3.960 -0.000 0.000 0.306 534 G HA3 0.360 4.320 3.960 -0.000 0.000 0.306 534 G C 0.129 174.929 174.900 -0.166 0.000 1.420 534 G CA 0.063 45.037 45.100 -0.210 0.000 1.086 534 G HN 0.510 nan 8.290 nan 0.000 0.591 535 S N 1.000 116.620 115.700 -0.133 0.000 2.447 535 S HA -0.043 4.426 4.470 -0.000 0.000 0.233 535 S C 2.425 176.958 174.600 -0.111 0.000 1.006 535 S CA 1.514 59.651 58.200 -0.105 0.000 0.957 535 S CB 0.074 63.223 63.200 -0.085 0.000 0.773 535 S HN 1.062 nan 8.310 nan 0.000 0.507 536 G N 1.982 110.692 108.800 -0.151 0.000 2.679 536 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.212 536 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.212 536 G C 1.245 176.023 174.900 -0.203 0.000 1.137 536 G CA 0.546 45.539 45.100 -0.178 0.000 0.787 536 G HN 0.662 nan 8.290 nan 0.000 0.534 537 M N -0.433 119.063 119.600 -0.173 0.000 2.562 537 M HA 0.345 4.825 4.480 -0.000 0.000 0.257 537 M C 0.434 176.726 176.300 -0.013 0.000 1.099 537 M CA 0.481 55.711 55.300 -0.117 0.000 1.099 537 M CB -0.090 32.425 32.600 -0.141 0.000 1.427 537 M HN -0.126 nan 8.290 nan 0.000 0.489 538 I N 2.891 123.447 120.570 -0.024 0.000 2.533 538 I HA 0.180 4.350 4.170 -0.000 0.000 0.284 538 I C 1.146 177.285 176.117 0.038 0.000 1.109 538 I CA 0.709 62.010 61.300 0.002 0.000 1.412 538 I CB 0.278 38.268 38.000 -0.017 0.000 1.396 538 I HN 0.682 nan 8.210 nan 0.000 0.543 539 G N 4.915 113.740 108.800 0.042 0.000 2.273 539 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.280 539 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.280 539 G C 0.140 175.088 174.900 0.080 0.000 1.047 539 G CA -0.040 45.086 45.100 0.044 0.000 0.869 539 G HN 0.865 nan 8.290 nan 0.000 0.502 540 H N 0.034 119.090 119.070 -0.022 0.000 2.917 540 H HA 0.401 4.957 4.556 -0.000 0.000 0.279 540 H C -2.687 172.629 175.328 -0.020 0.000 1.211 540 H CA -1.448 54.586 56.048 -0.024 0.000 1.534 540 H CB 1.879 31.620 29.762 -0.034 0.000 1.581 540 H HN 0.148 nan 8.280 nan 0.000 0.510 541 P HA 0.140 nan 4.420 nan 0.000 0.269 541 P C 0.860 178.119 177.300 -0.069 0.000 1.209 541 P CA 1.356 64.407 63.100 -0.082 0.000 0.776 541 P CB 0.738 32.385 31.700 -0.089 0.000 0.876 542 G N 0.341 109.143 108.800 0.005 0.000 2.176 542 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.253 542 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.253 542 G C 0.878 175.840 174.900 0.103 0.000 0.979 542 G CA 0.224 45.346 45.100 0.038 0.000 0.641 542 G HN 0.387 nan 8.290 nan 0.000 0.530 543 V N 0.925 120.918 119.914 0.131 0.000 2.283 543 V HA 0.058 4.178 4.120 -0.000 0.000 0.243 543 V C 3.231 179.372 176.094 0.079 0.000 1.039 543 V CA 2.953 65.359 62.300 0.176 0.000 1.016 543 V CB -1.078 30.793 31.823 0.078 0.000 0.650 543 V HN 0.920 nan 8.190 nan 0.000 0.449 544 A N 0.072 122.803 122.820 -0.148 0.000 1.940 544 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 544 A C 2.401 179.536 177.584 -0.749 0.000 1.176 544 A CA 2.278 53.979 52.037 -0.559 0.000 0.631 544 A CB -0.813 17.781 19.000 -0.676 0.000 0.814 544 A HN 0.590 nan 8.150 nan 0.000 0.446 545 A N -1.235 121.442 122.820 -0.239 0.000 1.902 545 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 545 A C 2.055 179.671 177.584 0.053 0.000 1.181 545 A CA 2.110 54.148 52.037 0.003 0.000 0.623 545 A CB -0.851 18.232 19.000 0.139 0.000 0.818 545 A HN 0.688 nan 8.150 nan 0.000 0.443 546 H N -1.563 117.494 119.070 -0.022 0.000 2.353 546 H HA -0.123 4.433 4.556 -0.000 0.000 0.300 546 H C 1.674 176.994 175.328 -0.014 0.000 1.090 546 H CA 1.834 57.855 56.048 -0.045 0.000 1.327 546 H CB -0.386 29.318 29.762 -0.098 0.000 1.383 546 H HN 0.426 nan 8.280 nan 0.000 0.508 547 F N 0.396 120.290 119.950 -0.092 0.000 2.069 547 F HA -0.208 4.318 4.527 -0.000 0.000 0.298 547 F C 1.724 177.518 175.800 -0.010 0.000 1.113 547 F CA 1.269 59.234 58.000 -0.058 0.000 1.214 547 F CB -1.122 37.855 39.000 -0.038 0.000 0.978 547 F HN 0.118 nan 8.300 nan 0.000 0.474 548 F N 0.743 120.647 119.950 -0.077 0.000 2.171 548 F HA -0.020 4.507 4.527 -0.000 0.000 0.300 548 F C 2.686 178.433 175.800 -0.089 0.000 1.090 548 F CA 0.780 58.671 58.000 -0.182 0.000 1.293 548 F CB -1.969 36.986 39.000 -0.075 0.000 1.013 548 F HN 0.076 nan 8.300 nan 0.000 0.486 549 A N 0.137 123.027 122.820 0.116 0.000 1.969 549 A HA 0.028 4.348 4.320 -0.000 0.000 0.218 549 A C 2.476 180.039 177.584 -0.034 0.000 1.169 549 A CA 1.578 53.638 52.037 0.039 0.000 0.635 549 A CB -1.161 17.853 19.000 0.024 0.000 0.810 549 A HN 0.283 nan 8.150 nan 0.000 0.445 550 A N -0.224 122.540 122.820 -0.093 0.000 1.933 550 A HA -0.014 4.305 4.320 -0.000 0.000 0.218 550 A C 2.120 179.697 177.584 -0.010 0.000 1.175 550 A CA 1.482 53.460 52.037 -0.099 0.000 0.628 550 A CB -0.504 18.423 19.000 -0.121 0.000 0.814 550 A HN 0.480 nan 8.150 nan 0.000 0.444 551 L N -1.167 120.064 121.223 0.014 0.000 2.131 551 L HA -0.055 4.285 4.340 -0.000 0.000 0.206 551 L C 3.014 179.883 176.870 -0.002 0.000 1.087 551 L CA 0.802 55.647 54.840 0.009 0.000 0.767 551 L CB -0.496 41.544 42.059 -0.031 0.000 0.917 551 L HN 0.400 nan 8.230 nan 0.000 0.441 552 A N -0.155 122.666 122.820 0.002 0.000 1.930 552 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 552 A C 2.197 179.781 177.584 -0.001 0.000 1.175 552 A CA 1.265 53.303 52.037 0.001 0.000 0.627 552 A CB -0.415 18.594 19.000 0.014 0.000 0.815 552 A HN 0.451 nan 8.150 nan 0.000 0.443 553 Q N -0.592 119.205 119.800 -0.004 0.000 2.291 553 Q HA -0.106 4.234 4.340 -0.000 0.000 0.206 553 Q C 0.934 176.931 176.000 -0.004 0.000 0.976 553 Q CA 1.040 56.840 55.803 -0.006 0.000 0.875 553 Q CB 0.025 28.753 28.738 -0.017 0.000 0.927 553 Q HN 0.535 nan 8.270 nan 0.000 0.450 554 E N 0.420 120.619 120.200 -0.002 0.000 2.444 554 E HA -0.005 4.345 4.350 -0.000 0.000 0.191 554 E C -0.236 176.364 176.600 0.000 0.000 1.041 554 E CA -0.210 56.192 56.400 0.002 0.000 0.883 554 E CB 0.081 29.786 29.700 0.010 0.000 1.024 554 E HN 0.239 nan 8.360 nan 0.000 0.470 555 N N 1.131 119.829 118.700 -0.003 0.000 2.714 555 N HA -0.217 4.523 4.740 -0.000 0.000 0.253 555 N C -0.968 174.536 175.510 -0.009 0.000 1.024 555 N CA 0.483 53.529 53.050 -0.007 0.000 0.726 555 N CB -1.349 37.134 38.487 -0.006 0.000 0.908 555 N HN 0.232 nan 8.380 nan 0.000 0.542 556 I N 1.245 121.808 120.570 -0.011 0.000 2.362 556 I HA 0.168 4.338 4.170 -0.000 0.000 0.289 556 I C 0.602 176.701 176.117 -0.030 0.000 0.994 556 I CA -0.873 60.418 61.300 -0.014 0.000 1.158 556 I CB 1.308 39.306 38.000 -0.003 0.000 1.315 556 I HN 0.152 nan 8.210 nan 0.000 0.451 557 N N 6.718 125.397 118.700 -0.035 0.000 2.529 557 N HA 0.365 5.105 4.740 -0.000 0.000 0.278 557 N C -0.829 174.644 175.510 -0.061 0.000 1.146 557 N CA -0.095 52.925 53.050 -0.049 0.000 0.980 557 N CB 0.840 39.298 38.487 -0.049 0.000 1.124 557 N HN 0.409 nan 8.380 nan 0.000 0.458 558 I N 2.942 123.459 120.570 -0.088 0.000 2.297 558 I HA 0.139 4.309 4.170 -0.000 0.000 0.291 558 I C 1.076 177.144 176.117 -0.081 0.000 1.033 558 I CA -0.269 60.964 61.300 -0.113 0.000 1.253 558 I CB 1.147 39.018 38.000 -0.216 0.000 1.396 558 I HN 0.653 nan 8.210 nan 0.000 0.476 559 E N 5.645 125.817 120.200 -0.046 0.000 2.086 559 E HA 0.103 4.453 4.350 -0.000 0.000 0.190 559 E C 0.106 176.706 176.600 0.001 0.000 0.975 559 E CA 0.995 57.389 56.400 -0.011 0.000 0.813 559 E CB 0.337 30.042 29.700 0.008 0.000 0.768 559 E HN 0.563 nan 8.360 nan 0.000 0.457 560 M N 0.509 120.103 119.600 -0.010 0.000 2.531 560 M HA 0.467 4.947 4.480 -0.000 0.000 0.286 560 M C -1.258 175.035 176.300 -0.011 0.000 1.232 560 M CA -0.525 54.776 55.300 0.003 0.000 0.877 560 M CB 2.883 35.501 32.600 0.030 0.000 1.726 560 M HN -0.122 nan 8.290 nan 0.000 0.463 561 I N 1.102 121.673 120.570 0.002 0.000 2.647 561 I HA 0.877 5.047 4.170 -0.000 0.000 0.295 561 I C -0.735 175.425 176.117 0.071 0.000 1.078 561 I CA -0.671 60.644 61.300 0.025 0.000 1.048 561 I CB 2.273 40.254 38.000 -0.031 0.000 1.239 561 I HN 0.807 nan 8.210 nan 0.000 0.421 562 A N 3.333 126.212 122.820 0.100 0.000 2.549 562 A HA 0.906 5.226 4.320 -0.000 0.000 0.297 562 A C -0.894 176.751 177.584 0.102 0.000 1.061 562 A CA -0.521 51.574 52.037 0.096 0.000 0.690 562 A CB 2.251 21.303 19.000 0.086 0.000 1.287 562 A HN 0.565 nan 8.150 nan 0.000 0.402 563 T N 0.357 114.961 114.554 0.084 0.000 2.903 563 T HA 0.778 5.128 4.350 -0.000 0.000 0.299 563 T C -0.098 174.630 174.700 0.046 0.000 1.093 563 T CA 0.307 62.450 62.100 0.071 0.000 1.002 563 T CB 1.509 70.423 68.868 0.077 0.000 1.127 563 T HN 1.651 nan 8.240 nan 0.000 0.488 564 S N 1.434 117.150 115.700 0.026 0.000 2.841 564 S HA 0.540 5.010 4.470 -0.000 0.000 0.318 564 S C 0.616 175.216 174.600 0.000 0.000 1.127 564 S CA -0.677 57.529 58.200 0.011 0.000 0.883 564 S CB 1.004 64.203 63.200 -0.002 0.000 1.271 564 S HN 0.559 nan 8.310 nan 0.000 0.567 565 E N 0.483 120.678 120.200 -0.009 0.000 2.265 565 E HA 0.018 4.367 4.350 -0.000 0.000 0.196 565 E C 1.306 177.885 176.600 -0.035 0.000 0.996 565 E CA 1.623 58.013 56.400 -0.016 0.000 0.832 565 E CB -0.494 29.194 29.700 -0.019 0.000 0.756 565 E HN 0.682 nan 8.360 nan 0.000 0.491 566 I N -3.823 116.719 120.570 -0.046 0.000 4.442 566 I HA 0.339 4.509 4.170 -0.000 0.000 0.331 566 I C 0.073 176.137 176.117 -0.089 0.000 1.364 566 I CA -0.516 60.739 61.300 -0.075 0.000 1.207 566 I CB 0.663 38.617 38.000 -0.077 0.000 1.298 566 I HN -0.220 nan 8.210 nan 0.000 0.463 567 K N 2.347 122.712 120.400 -0.058 0.000 2.426 567 K HA 0.673 4.993 4.320 -0.000 0.000 0.254 567 K C -1.501 175.095 176.600 -0.007 0.000 0.936 567 K CA -0.653 55.603 56.287 -0.051 0.000 0.801 567 K CB 2.388 34.870 32.500 -0.029 0.000 1.139 567 K HN 0.237 nan 8.250 nan 0.000 0.424 568 I N 2.487 123.061 120.570 0.007 0.000 2.406 568 I HA 0.252 4.422 4.170 -0.000 0.000 0.290 568 I C -0.540 175.719 176.117 0.238 0.000 0.999 568 I CA -0.589 60.796 61.300 0.141 0.000 1.124 568 I CB 2.152 40.286 38.000 0.224 0.000 1.289 568 I HN 0.452 nan 8.210 nan 0.000 0.441 569 S N 4.444 120.287 115.700 0.237 0.000 2.454 569 S HA 0.517 4.987 4.470 -0.000 0.000 0.306 569 S C -0.838 173.908 174.600 0.242 0.000 1.100 569 S CA -0.528 57.818 58.200 0.244 0.000 1.087 569 S CB 1.380 64.665 63.200 0.142 0.000 1.019 569 S HN 0.585 nan 8.310 nan 0.000 0.480 570 C N 3.232 122.678 119.300 0.242 0.000 2.345 570 C HA 0.598 5.058 4.460 -0.000 0.000 0.323 570 C C 0.384 175.420 174.990 0.077 0.000 1.276 570 C CA -0.811 58.262 59.018 0.091 0.000 1.543 570 C CB 0.526 28.240 27.740 -0.044 0.000 2.211 570 C HN 0.672 nan 8.230 nan 0.000 0.493 571 V N 4.116 124.055 119.914 0.041 0.000 2.649 571 V HA 0.652 4.772 4.120 -0.000 0.000 0.292 571 V C 0.195 176.297 176.094 0.013 0.000 1.055 571 V CA 0.055 62.376 62.300 0.035 0.000 1.023 571 V CB 1.480 33.322 31.823 0.032 0.000 0.992 571 V HN 0.715 nan 8.190 nan 0.000 0.480 572 V N 5.093 125.018 119.914 0.019 0.000 3.216 572 V HA 0.467 4.587 4.120 -0.000 0.000 0.302 572 V C -2.644 173.456 176.094 0.009 0.000 1.286 572 V CA -1.976 60.329 62.300 0.009 0.000 1.048 572 V CB 3.286 35.123 31.823 0.023 0.000 1.081 572 V HN 0.727 nan 8.190 nan 0.000 0.442 573 P HA 0.160 nan 4.420 nan 0.000 0.271 573 P C 0.189 177.494 177.300 0.008 0.000 1.216 573 P CA 0.314 63.414 63.100 -0.000 0.000 0.771 573 P CB 0.558 32.253 31.700 -0.008 0.000 0.864 574 Q N 3.517 123.322 119.800 0.008 0.000 2.112 574 Q HA -0.252 4.088 4.340 -0.000 0.000 0.206 574 Q C 1.003 177.009 176.000 0.011 0.000 0.987 574 Q CA 2.135 57.945 55.803 0.012 0.000 0.858 574 Q CB -0.324 28.419 28.738 0.009 0.000 0.905 574 Q HN 0.481 nan 8.270 nan 0.000 0.420 575 D N -1.213 119.191 120.400 0.007 0.000 2.358 575 D HA -0.099 4.541 4.640 -0.000 0.000 0.241 575 D C 0.939 177.245 176.300 0.009 0.000 1.094 575 D CA 0.360 54.364 54.000 0.006 0.000 0.907 575 D CB 0.098 40.900 40.800 0.002 0.000 0.893 575 D HN 0.156 nan 8.370 nan 0.000 0.528 576 R N -1.159 119.349 120.500 0.013 0.000 2.541 576 R HA 0.322 4.662 4.340 -0.000 0.000 0.332 576 R C 1.930 178.247 176.300 0.029 0.000 0.951 576 R CA 0.521 56.631 56.100 0.017 0.000 1.136 576 R CB 0.332 30.639 30.300 0.012 0.000 1.449 576 R HN 0.133 nan 8.270 nan 0.000 0.531 577 G N 0.130 108.948 108.800 0.031 0.000 2.491 577 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 577 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 577 G C 1.209 176.137 174.900 0.046 0.000 1.180 577 G CA 1.357 46.483 45.100 0.043 0.000 0.774 577 G HN 0.145 nan 8.290 nan 0.000 0.562 578 V N 1.680 121.613 119.914 0.032 0.000 2.295 578 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 578 V C 2.614 178.728 176.094 0.034 0.000 1.049 578 V CA 2.382 64.699 62.300 0.027 0.000 1.024 578 V CB -0.642 31.191 31.823 0.015 0.000 0.648 578 V HN 0.340 nan 8.190 nan 0.000 0.447 579 D N 0.853 121.272 120.400 0.032 0.000 2.149 579 D HA -0.135 4.504 4.640 -0.000 0.000 0.198 579 D C 2.135 178.468 176.300 0.055 0.000 0.990 579 D CA 1.588 55.609 54.000 0.034 0.000 0.839 579 D CB -0.434 40.382 40.800 0.026 0.000 0.948 579 D HN 0.464 nan 8.370 nan 0.000 0.460 580 A N 0.269 123.130 122.820 0.068 0.000 1.930 580 A HA -0.060 4.259 4.320 -0.000 0.000 0.217 580 A C 2.045 179.716 177.584 0.145 0.000 1.175 580 A CA 0.757 52.859 52.037 0.107 0.000 0.627 580 A CB -0.640 18.426 19.000 0.110 0.000 0.815 580 A HN 0.240 nan 8.150 nan 0.000 0.443 581 L N -0.106 121.184 121.223 0.112 0.000 2.056 581 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 581 L C 2.184 179.121 176.870 0.112 0.000 1.078 581 L CA 2.177 57.083 54.840 0.110 0.000 0.749 581 L CB -0.441 41.658 42.059 0.067 0.000 0.901 581 L HN 0.318 nan 8.230 nan 0.000 0.433 582 K N -0.515 119.932 120.400 0.079 0.000 2.057 582 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 582 K C 2.114 178.777 176.600 0.104 0.000 1.049 582 K CA 1.282 57.614 56.287 0.074 0.000 0.931 582 K CB -0.426 32.097 32.500 0.039 0.000 0.714 582 K HN 0.475 nan 8.250 nan 0.000 0.440 583 A N 1.689 124.565 122.820 0.093 0.000 1.883 583 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 583 A C 2.410 180.050 177.584 0.095 0.000 1.186 583 A CA 2.015 54.099 52.037 0.077 0.000 0.624 583 A CB -0.811 18.233 19.000 0.074 0.000 0.822 583 A HN 0.345 nan 8.150 nan 0.000 0.444 584 A N -1.629 121.296 122.820 0.174 0.000 1.902 584 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 584 A C 2.160 179.862 177.584 0.196 0.000 1.181 584 A CA 1.742 53.899 52.037 0.200 0.000 0.623 584 A CB -0.953 18.148 19.000 0.167 0.000 0.818 584 A HN 0.734 nan 8.150 nan 0.000 0.443 585 H N -0.146 118.974 119.070 0.083 0.000 2.389 585 H HA -0.043 4.512 4.556 -0.000 0.000 0.299 585 H C 2.086 177.452 175.328 0.064 0.000 1.081 585 H CA 1.720 57.811 56.048 0.071 0.000 1.345 585 H CB 0.222 30.007 29.762 0.039 0.000 1.393 585 H HN 0.482 nan 8.280 nan 0.000 0.520 586 S N 0.166 115.944 115.700 0.130 0.000 2.395 586 S HA -0.002 4.468 4.470 -0.000 0.000 0.225 586 S C 2.426 177.007 174.600 -0.031 0.000 1.027 586 S CA 0.587 58.819 58.200 0.053 0.000 0.965 586 S CB -0.176 63.054 63.200 0.050 0.000 0.812 586 S HN 0.550 nan 8.310 nan 0.000 0.482 587 A N 0.819 123.570 122.820 -0.114 0.000 1.940 587 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 587 A C 1.282 178.651 177.584 -0.358 0.000 1.176 587 A CA 1.387 53.211 52.037 -0.355 0.000 0.631 587 A CB -0.609 17.983 19.000 -0.680 0.000 0.814 587 A HN 0.507 nan 8.150 nan 0.000 0.446 588 F N -0.391 119.560 119.950 0.002 0.000 2.647 588 F HA 0.243 4.770 4.527 -0.000 0.000 0.300 588 F C 0.488 176.235 175.800 -0.088 0.000 1.106 588 F CA -0.527 57.459 58.000 -0.023 0.000 1.313 588 F CB -0.127 38.819 39.000 -0.090 0.000 1.007 588 F HN 0.171 nan 8.300 nan 0.000 0.536 589 N N 0.595 119.308 118.700 0.022 0.000 2.721 589 N HA -0.198 4.542 4.740 -0.000 0.000 0.249 589 N C 0.803 176.267 175.510 -0.077 0.000 1.072 589 N CA 0.348 53.388 53.050 -0.016 0.000 0.710 589 N CB -1.298 37.192 38.487 0.005 0.000 0.993 589 N HN 0.208 nan 8.380 nan 0.000 0.547 590 L N -0.371 120.713 121.223 -0.232 0.000 2.465 590 L HA 0.081 4.421 4.340 -0.000 0.000 0.224 590 L C 2.306 179.060 176.870 -0.193 0.000 1.145 590 L CA 1.538 56.146 54.840 -0.388 0.000 0.834 590 L CB -0.615 40.904 42.059 -0.899 0.000 0.944 590 L HN 0.422 nan 8.230 nan 0.000 0.451 591 A N -0.825 121.977 122.820 -0.029 0.000 1.897 591 A HA 0.304 4.623 4.320 -0.000 0.000 0.215 591 A C 1.759 179.380 177.584 0.062 0.000 1.181 591 A CA 1.353 53.472 52.037 0.137 0.000 0.620 591 A CB -0.378 18.705 19.000 0.139 0.000 0.821 591 A HN 0.475 nan 8.150 nan 0.000 0.443 592 G N -2.836 105.977 108.800 0.022 0.000 2.407 592 G HA2 0.329 4.289 3.960 -0.000 0.000 0.210 592 G HA3 0.329 4.289 3.960 -0.000 0.000 0.210 592 G C 0.135 175.040 174.900 0.008 0.000 1.015 592 G CA 0.382 45.489 45.100 0.012 0.000 0.807 592 G HN 1.566 nan 8.290 nan 0.000 0.539 593 T N -4.402 110.157 114.554 0.009 0.000 2.667 593 T HA 0.663 5.013 4.350 -0.000 0.000 0.256 593 T C -0.337 174.369 174.700 0.010 0.000 2.154 593 T CA 0.418 62.522 62.100 0.008 0.000 0.944 593 T CB 0.403 69.277 68.868 0.010 0.000 2.292 593 T HN 1.440 nan 8.240 nan 0.000 0.390 594 K N -0.205 120.201 120.400 0.010 0.000 2.166 594 K HA 0.887 5.206 4.320 -0.000 0.000 0.245 594 K C -0.271 176.338 176.600 0.015 0.000 0.967 594 K CA -0.730 55.565 56.287 0.012 0.000 0.863 594 K CB 1.434 33.939 32.500 0.008 0.000 1.107 594 K HN 0.857 nan 8.250 nan 0.000 0.436 595 T N 1.344 115.908 114.554 0.017 0.000 2.812 595 T HA 0.547 4.897 4.350 -0.000 0.000 0.282 595 T C -0.853 173.855 174.700 0.013 0.000 0.990 595 T CA -0.362 61.749 62.100 0.017 0.000 0.960 595 T CB 0.793 69.675 68.868 0.024 0.000 0.948 595 T HN 0.854 nan 8.240 nan 0.000 0.438 596 V N 2.088 122.009 119.914 0.011 0.000 2.409 596 V HA 0.787 4.907 4.120 -0.000 0.000 0.291 596 V C 0.274 176.373 176.094 0.009 0.000 1.020 596 V CA -0.911 61.395 62.300 0.009 0.000 0.848 596 V CB 1.156 32.984 31.823 0.007 0.000 0.990 596 V HN 0.881 nan 8.190 nan 0.000 0.430 597 T N 4.139 118.698 114.554 0.009 0.000 2.744 597 T HA 0.686 5.036 4.350 -0.000 0.000 0.291 597 T C -0.242 174.461 174.700 0.006 0.000 0.957 597 T CA 0.084 62.189 62.100 0.008 0.000 1.002 597 T CB 0.963 69.836 68.868 0.008 0.000 0.919 597 T HN 1.779 nan 8.240 nan 0.000 0.468 598 V N 2.911 122.828 119.914 0.005 0.000 3.113 598 V HA 0.891 5.011 4.120 -0.000 0.000 0.316 598 V C -2.637 173.460 176.094 0.004 0.000 1.125 598 V CA -2.416 59.887 62.300 0.004 0.000 1.026 598 V CB 0.677 32.502 31.823 0.004 0.000 1.080 598 V HN 0.791 nan 8.190 nan 0.000 0.444 599 P HA 0.479 nan 4.420 nan 0.000 0.267 599 P C -0.020 177.282 177.300 0.003 0.000 1.209 599 P CA 0.324 63.425 63.100 0.003 0.000 0.763 599 P CB 0.416 32.117 31.700 0.002 0.000 0.816 600 A N 0.000 122.822 122.820 0.003 0.000 2.254 600 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 600 A CA 0.000 52.038 52.037 0.002 0.000 0.836 600 A CB 0.000 19.001 19.000 0.002 0.000 0.831 600 A HN 0.000 nan 8.150 nan 0.000 0.486