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 1pn0_1_A DATA FIRST_RESID 1 DATA SEQUENCE TKYSESYCDV LIVGAGPAGL MAARVLSEYV RQKPDLKVRI IDKRSTKVYN DATA SEQUENCE GQADGLQCRT LESLKNLGLA DKILSEANDM STIALYNPDE NGHIRRTDRI DATA SEQUENCE PDTLPGISRY HQVVLHQGRI ERRILDSIAE ISDTRIKVER PLIPEKMEID DATA SEQUENCE SSKAEDPEAY PVTMTLRYMS EDESTPLQFG HKTENGLFRS NLQTQEEEDA DATA SEQUENCE NYRLPEGKEA GEIETVHCKY VIGCDGGHSW VRRTLGFEMI GEQTDYIWGV DATA SEQUENCE LDAVPASNFP DIRSRCAIHS AESGSIMIIP RENNLVRFYV QLQAXXXXXX DATA SEQUENCE XXXXTKFTPE VVIANAKKIF HPYTFDVQQL DWFTAYHIGQ RVTEKFSKDE DATA SEQUENCE RVFIAGDACH THSPKAGQGM NTSMMDTYNL GWKLGLVLTG RAKRDILKTY DATA SEQUENCE EEERQPFAQA LIDFDHQFSR LFSGRPAKDV ADEMGVSMDV FKEAFVKGNE DATA SEQUENCE FASGTAINYD ENLVTDKKSS KQELAKNCVV GTRFKSQPVV RHSEGLWMHF DATA SEQUENCE GDRLVTDGRF RIIVFAGKAT DATQMSRIKK FAAYLDSENS VISRYTPKGA DATA SEQUENCE DRNSRIDVIT IHSCHRDDIE MHDFPAPALH PKWQYDFIYA DCDSWHHPHP DATA SEQUENCE KSYQAWGVDE TKGAVVVVRP DGYTSLVTDL EGTAEIDRYF SGILVEPKEK DATA SEQUENCE SGAQTEADWT KS 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.523 174.700 -0.295 0.000 1.109 1 T CA 0.000 61.972 62.100 -0.214 0.000 1.349 1 T CB 0.000 68.671 68.868 -0.329 0.000 0.612 2 K N 2.374 122.591 120.400 -0.305 0.000 2.234 2 K HA 0.551 4.871 4.320 -0.001 0.000 0.282 2 K C -1.298 175.079 176.600 -0.372 0.000 1.039 2 K CA -0.460 55.695 56.287 -0.220 0.000 0.928 2 K CB 0.558 32.974 32.500 -0.141 0.000 1.039 2 K HN 0.560 nan 8.250 nan 0.000 0.470 3 Y N 1.206 121.498 120.300 -0.013 0.000 2.409 3 Y HA 0.302 4.852 4.550 -0.001 0.000 0.339 3 Y C 0.304 176.195 175.900 -0.015 0.000 1.033 3 Y CA -0.349 57.745 58.100 -0.009 0.000 1.094 3 Y CB 2.183 40.639 38.460 -0.006 0.000 1.210 3 Y HN 0.718 nan 8.280 nan 0.000 0.456 4 S N 0.945 116.728 115.700 0.139 0.000 2.651 4 S HA 0.767 5.237 4.470 -0.001 0.000 0.279 4 S C -1.350 173.284 174.600 0.056 0.000 1.148 4 S CA -1.018 57.226 58.200 0.073 0.000 0.837 4 S CB 2.752 65.965 63.200 0.022 0.000 1.138 4 S HN 0.696 nan 8.310 nan 0.000 0.478 5 E N -0.082 120.135 120.200 0.030 0.000 2.343 5 E HA 0.645 4.994 4.350 -0.001 0.000 0.278 5 E C -1.317 175.275 176.600 -0.012 0.000 0.910 5 E CA -0.537 55.853 56.400 -0.017 0.000 0.757 5 E CB 1.961 31.672 29.700 0.017 0.000 1.218 5 E HN 0.986 nan 8.360 nan 0.000 0.435 6 S N 1.943 117.583 115.700 -0.100 0.000 2.672 6 S HA 0.587 5.057 4.470 -0.001 0.000 0.271 6 S C -1.616 172.858 174.600 -0.210 0.000 1.171 6 S CA -0.776 57.408 58.200 -0.026 0.000 0.817 6 S CB 0.808 64.026 63.200 0.030 0.000 1.150 6 S HN 0.412 nan 8.310 nan 0.000 0.478 7 Y N -0.219 120.070 120.300 -0.018 0.000 2.499 7 Y HA 0.777 5.326 4.550 -0.001 0.000 0.347 7 Y C 0.378 176.304 175.900 0.043 0.000 0.987 7 Y CA -0.586 57.459 58.100 -0.090 0.000 1.044 7 Y CB 2.078 40.329 38.460 -0.348 0.000 1.245 7 Y HN 1.252 nan 8.280 nan 0.000 0.461 8 C N -0.336 119.149 119.300 0.308 0.000 3.288 8 C HA 0.490 4.949 4.460 -0.001 0.000 0.318 8 C C 0.220 175.435 174.990 0.375 0.000 1.356 8 C CA -0.693 58.501 59.018 0.292 0.000 1.359 8 C CB 1.677 29.521 27.740 0.174 0.000 1.688 8 C HN 0.891 nan 8.230 nan 0.000 0.467 9 D N 0.451 121.016 120.400 0.275 0.000 2.162 9 D HA 0.127 4.766 4.640 -0.001 0.000 0.205 9 D C 0.350 176.799 176.300 0.248 0.000 0.964 9 D CA 1.577 55.724 54.000 0.245 0.000 0.847 9 D CB 0.476 41.384 40.800 0.181 0.000 0.988 9 D HN 0.503 nan 8.370 nan 0.000 0.480 10 V N 1.471 121.498 119.914 0.188 0.000 2.686 10 V HA 0.296 4.415 4.120 -0.001 0.000 0.306 10 V C -0.939 175.230 176.094 0.125 0.000 1.065 10 V CA -0.942 61.461 62.300 0.172 0.000 0.894 10 V CB 2.774 34.656 31.823 0.099 0.000 1.004 10 V HN -0.053 nan 8.190 nan 0.000 0.424 11 L N 6.029 127.324 121.223 0.121 0.000 2.305 11 L HA 0.675 5.014 4.340 -0.001 0.000 0.284 11 L C -0.686 176.225 176.870 0.069 0.000 1.013 11 L CA 0.113 55.000 54.840 0.078 0.000 0.819 11 L CB 1.164 43.261 42.059 0.062 0.000 1.227 11 L HN 0.575 nan 8.230 nan 0.000 0.417 12 I N 5.912 126.508 120.570 0.043 0.000 2.321 12 I HA 0.303 4.473 4.170 -0.001 0.000 0.291 12 I C -0.533 175.596 176.117 0.021 0.000 0.998 12 I CA -0.736 60.585 61.300 0.035 0.000 1.227 12 I CB 1.582 39.594 38.000 0.021 0.000 1.368 12 I HN 0.269 nan 8.210 nan 0.000 0.466 13 V N 6.192 126.124 119.914 0.031 0.000 2.334 13 V HA 0.726 4.846 4.120 -0.001 0.000 0.267 13 V C 0.518 176.622 176.094 0.017 0.000 1.040 13 V CA -0.337 61.972 62.300 0.015 0.000 0.866 13 V CB 0.295 32.144 31.823 0.043 0.000 1.019 13 V HN 1.061 nan 8.190 nan 0.000 0.468 14 G N 4.080 112.879 108.800 -0.002 0.000 3.055 14 G HA2 0.351 4.310 3.960 -0.001 0.000 0.685 14 G HA3 0.351 4.310 3.960 -0.001 0.000 0.685 14 G C -0.324 174.577 174.900 0.002 0.000 1.212 14 G CA -0.295 44.807 45.100 0.004 0.000 0.822 14 G HN 1.444 nan 8.290 nan 0.000 0.610 15 A N 1.461 124.280 122.820 -0.002 0.000 2.985 15 A HA 0.815 5.134 4.320 -0.001 0.000 0.303 15 A C 1.182 178.762 177.584 -0.007 0.000 1.048 15 A CA 1.040 53.074 52.037 -0.005 0.000 1.016 15 A CB -0.098 18.894 19.000 -0.013 0.000 1.118 15 A HN 2.123 nan 8.150 nan 0.000 0.529 16 G N -0.030 108.771 108.800 0.001 0.000 2.510 16 G HA2 0.460 4.420 3.960 -0.001 0.000 0.280 16 G HA3 0.460 4.420 3.960 -0.001 0.000 0.280 16 G C -1.346 173.555 174.900 0.002 0.000 1.386 16 G CA -1.193 43.907 45.100 -0.001 0.000 1.047 16 G HN 0.097 nan 8.290 nan 0.000 0.527 17 P HA -0.150 nan 4.420 nan 0.000 0.216 17 P C 2.103 179.421 177.300 0.030 0.000 1.153 17 P CA 2.427 65.535 63.100 0.013 0.000 0.858 17 P CB 0.075 31.785 31.700 0.017 0.000 0.789 18 A N -0.341 122.503 122.820 0.040 0.000 1.858 18 A HA -0.099 4.220 4.320 -0.001 0.000 0.216 18 A C 2.521 180.126 177.584 0.035 0.000 1.190 18 A CA 2.205 54.273 52.037 0.051 0.000 0.617 18 A CB -1.883 17.147 19.000 0.050 0.000 0.827 18 A HN 0.285 nan 8.150 nan 0.000 0.443 19 G N -0.340 108.473 108.800 0.022 0.000 2.402 19 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.216 19 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.216 19 G C 1.569 176.478 174.900 0.015 0.000 1.162 19 G CA 0.981 46.090 45.100 0.015 0.000 0.777 19 G HN 0.419 nan 8.290 nan 0.000 0.539 20 L N -0.416 120.814 121.223 0.012 0.000 2.046 20 L HA -0.076 4.263 4.340 -0.001 0.000 0.208 20 L C 2.812 179.697 176.870 0.025 0.000 1.077 20 L CA 1.427 56.274 54.840 0.011 0.000 0.747 20 L CB -0.350 41.708 42.059 -0.001 0.000 0.896 20 L HN 0.283 nan 8.230 nan 0.000 0.432 21 M N 0.248 119.870 119.600 0.036 0.000 2.117 21 M HA -0.132 4.348 4.480 -0.001 0.000 0.262 21 M C 2.292 178.633 176.300 0.069 0.000 1.065 21 M CA 2.049 57.388 55.300 0.065 0.000 1.114 21 M CB -0.482 32.169 32.600 0.085 0.000 1.361 21 M HN 0.158 nan 8.290 nan 0.000 0.408 22 A N -0.104 122.739 122.820 0.040 0.000 1.883 22 A HA -0.003 4.317 4.320 -0.001 0.000 0.217 22 A C 2.399 179.995 177.584 0.021 0.000 1.186 22 A CA 2.291 54.334 52.037 0.010 0.000 0.624 22 A CB -1.510 17.477 19.000 -0.022 0.000 0.822 22 A HN 0.674 nan 8.150 nan 0.000 0.444 23 A N -0.348 122.487 122.820 0.025 0.000 1.898 23 A HA -0.103 4.217 4.320 -0.001 0.000 0.216 23 A C 2.167 179.778 177.584 0.045 0.000 1.181 23 A CA 2.070 54.126 52.037 0.031 0.000 0.620 23 A CB -0.426 18.587 19.000 0.022 0.000 0.819 23 A HN 0.490 nan 8.150 nan 0.000 0.442 24 R N 0.102 120.631 120.500 0.047 0.000 2.073 24 R HA -0.084 4.256 4.340 -0.001 0.000 0.234 24 R C 1.770 178.115 176.300 0.075 0.000 1.134 24 R CA 2.273 58.405 56.100 0.053 0.000 0.952 24 R CB -1.237 29.094 30.300 0.053 0.000 0.850 24 R HN 0.231 nan 8.270 nan 0.000 0.433 25 V N 0.834 120.808 119.914 0.101 0.000 2.295 25 V HA -0.199 3.920 4.120 -0.001 0.000 0.246 25 V C 2.330 178.555 176.094 0.219 0.000 1.049 25 V CA 1.923 64.308 62.300 0.141 0.000 1.024 25 V CB -0.448 31.453 31.823 0.130 0.000 0.648 25 V HN 0.302 nan 8.190 nan 0.000 0.447 26 L N -0.417 120.906 121.223 0.165 0.000 2.275 26 L HA -0.107 4.232 4.340 -0.001 0.000 0.215 26 L C 2.583 179.582 176.870 0.215 0.000 1.119 26 L CA 0.983 55.956 54.840 0.220 0.000 0.790 26 L CB -0.564 41.535 42.059 0.068 0.000 0.919 26 L HN 0.278 nan 8.230 nan 0.000 0.443 27 S N -0.070 115.699 115.700 0.114 0.000 2.387 27 S HA -0.271 4.199 4.470 -0.001 0.000 0.230 27 S C 1.886 176.503 174.600 0.027 0.000 1.035 27 S CA 1.781 60.018 58.200 0.062 0.000 1.014 27 S CB -0.159 63.062 63.200 0.034 0.000 0.836 27 S HN 0.429 nan 8.310 nan 0.000 0.466 28 E N 0.281 120.462 120.200 -0.033 0.000 2.077 28 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 28 E C 1.576 178.028 176.600 -0.247 0.000 0.989 28 E CA 1.454 57.733 56.400 -0.202 0.000 0.800 28 E CB -0.288 29.173 29.700 -0.398 0.000 0.746 28 E HN 0.707 nan 8.360 nan 0.000 0.452 29 Y N -0.924 119.381 120.300 0.007 0.000 2.263 29 Y HA -0.085 4.465 4.550 -0.001 0.000 0.292 29 Y C 2.278 178.186 175.900 0.014 0.000 1.130 29 Y CA 0.832 58.938 58.100 0.010 0.000 1.179 29 Y CB -0.324 38.137 38.460 0.003 0.000 0.998 29 Y HN -0.054 nan 8.280 nan 0.000 0.532 30 V N 0.336 120.339 119.914 0.148 0.000 2.427 30 V HA -0.289 3.831 4.120 -0.001 0.000 0.248 30 V C 2.469 178.594 176.094 0.052 0.000 1.051 30 V CA 2.039 64.394 62.300 0.093 0.000 1.048 30 V CB -0.563 31.308 31.823 0.079 0.000 0.666 30 V HN 0.318 nan 8.190 nan 0.000 0.456 31 R N -0.088 120.426 120.500 0.023 0.000 2.096 31 R HA -0.214 4.126 4.340 -0.001 0.000 0.235 31 R C 2.313 178.615 176.300 0.004 0.000 1.127 31 R CA 1.819 57.922 56.100 0.004 0.000 0.968 31 R CB -0.163 30.125 30.300 -0.020 0.000 0.861 31 R HN 0.600 nan 8.270 nan 0.000 0.440 32 Q N -0.465 119.335 119.800 -0.000 0.000 2.172 32 Q HA -0.005 4.334 4.340 -0.001 0.000 0.200 32 Q C 0.110 176.132 176.000 0.037 0.000 0.964 32 Q CA 0.937 56.746 55.803 0.010 0.000 0.855 32 Q CB 0.432 29.172 28.738 0.003 0.000 0.918 32 Q HN -0.042 nan 8.270 nan 0.000 0.444 33 K N 0.084 120.517 120.400 0.056 0.000 2.752 33 K HA 0.210 4.530 4.320 -0.001 0.000 0.199 33 K C -2.401 174.235 176.600 0.059 0.000 1.069 33 K CA -1.540 54.782 56.287 0.060 0.000 1.033 33 K CB 1.606 34.152 32.500 0.076 0.000 1.229 33 K HN -0.126 nan 8.250 nan 0.000 0.572 34 P HA -0.101 nan 4.420 nan 0.000 0.228 34 P C 0.478 177.807 177.300 0.049 0.000 1.151 34 P CA 0.873 63.999 63.100 0.044 0.000 0.770 34 P CB 0.439 32.159 31.700 0.033 0.000 0.786 35 D N -0.702 119.728 120.400 0.051 0.000 2.264 35 D HA -0.043 4.597 4.640 -0.001 0.000 0.208 35 D C 0.870 177.213 176.300 0.072 0.000 0.966 35 D CA 0.488 54.522 54.000 0.056 0.000 0.864 35 D CB -0.458 40.373 40.800 0.052 0.000 0.933 35 D HN 0.214 nan 8.370 nan 0.000 0.499 36 L N 0.730 121.998 121.223 0.076 0.000 2.490 36 L HA -0.001 4.338 4.340 -0.001 0.000 0.274 36 L C 0.636 177.561 176.870 0.092 0.000 1.201 36 L CA 0.084 54.977 54.840 0.089 0.000 0.869 36 L CB 0.327 42.439 42.059 0.089 0.000 1.123 36 L HN -0.230 nan 8.230 nan 0.000 0.484 37 K N 3.099 123.566 120.400 0.111 0.000 2.449 37 K HA 0.456 4.775 4.320 -0.001 0.000 0.257 37 K C -1.388 175.277 176.600 0.109 0.000 0.989 37 K CA -0.387 55.966 56.287 0.109 0.000 0.916 37 K CB 1.336 33.914 32.500 0.130 0.000 1.136 37 K HN 0.238 nan 8.250 nan 0.000 0.439 38 V N 5.642 125.607 119.914 0.085 0.000 2.409 38 V HA 0.559 4.678 4.120 -0.001 0.000 0.291 38 V C -0.145 175.985 176.094 0.061 0.000 1.020 38 V CA -0.779 61.566 62.300 0.075 0.000 0.848 38 V CB 1.504 33.364 31.823 0.062 0.000 0.990 38 V HN 0.679 nan 8.190 nan 0.000 0.430 39 R N 3.826 124.361 120.500 0.058 0.000 2.778 39 R HA 0.767 5.106 4.340 -0.001 0.000 0.277 39 R C -1.097 175.218 176.300 0.026 0.000 0.977 39 R CA -0.788 55.336 56.100 0.040 0.000 0.950 39 R CB 2.805 33.129 30.300 0.039 0.000 1.165 39 R HN 0.710 nan 8.270 nan 0.000 0.474 40 I N 3.715 124.291 120.570 0.011 0.000 2.534 40 I HA 0.454 4.624 4.170 -0.001 0.000 0.288 40 I C -1.122 174.984 176.117 -0.019 0.000 1.077 40 I CA -0.842 60.458 61.300 0.000 0.000 1.051 40 I CB 1.366 39.369 38.000 0.005 0.000 1.234 40 I HN 0.690 nan 8.210 nan 0.000 0.425 41 I N 4.054 124.603 120.570 -0.035 0.000 2.957 41 I HA 0.704 4.874 4.170 -0.001 0.000 0.310 41 I C -1.543 174.540 176.117 -0.057 0.000 1.063 41 I CA -0.508 60.753 61.300 -0.065 0.000 1.033 41 I CB 2.217 40.149 38.000 -0.113 0.000 1.230 41 I HN 0.500 nan 8.210 nan 0.000 0.447 42 D N 2.043 122.404 120.400 -0.065 0.000 2.837 42 D HA 0.179 4.819 4.640 -0.001 0.000 0.220 42 D C -0.359 175.910 176.300 -0.052 0.000 1.236 42 D CA -0.496 53.477 54.000 -0.045 0.000 0.838 42 D CB 2.656 43.443 40.800 -0.021 0.000 1.647 42 D HN 0.874 nan 8.370 nan 0.000 0.486 43 K N 1.800 122.174 120.400 -0.044 0.000 2.459 43 K HA 0.114 4.433 4.320 -0.001 0.000 0.193 43 K C 0.859 177.463 176.600 0.006 0.000 1.030 43 K CA 0.015 56.277 56.287 -0.041 0.000 1.026 43 K CB 0.855 33.321 32.500 -0.057 0.000 0.809 43 K HN 0.053 nan 8.250 nan 0.000 0.504 44 R N 0.997 121.511 120.500 0.024 0.000 2.349 44 R HA 0.147 4.487 4.340 -0.001 0.000 0.299 44 R C 0.205 176.549 176.300 0.074 0.000 1.027 44 R CA -0.069 56.065 56.100 0.056 0.000 0.958 44 R CB 1.167 31.506 30.300 0.064 0.000 1.047 44 R HN 0.057 nan 8.270 nan 0.000 0.468 45 S N 1.030 116.801 115.700 0.118 0.000 2.400 45 S HA -0.111 4.358 4.470 -0.001 0.000 0.232 45 S C 0.825 175.499 174.600 0.124 0.000 1.025 45 S CA 1.733 60.030 58.200 0.161 0.000 0.993 45 S CB -0.061 63.288 63.200 0.249 0.000 0.808 45 S HN 0.856 nan 8.310 nan 0.000 0.478 46 T N -0.316 114.315 114.554 0.130 0.000 2.865 46 T HA 0.515 4.864 4.350 -0.001 0.000 0.294 46 T C -0.667 174.077 174.700 0.073 0.000 1.119 46 T CA -1.247 60.935 62.100 0.137 0.000 1.007 46 T CB 1.724 70.763 68.868 0.285 0.000 1.225 46 T HN 0.259 nan 8.240 nan 0.000 0.515 47 K N 0.772 121.160 120.400 -0.019 0.000 2.234 47 K HA 0.454 4.773 4.320 -0.001 0.000 0.251 47 K C -0.176 176.298 176.600 -0.210 0.000 1.011 47 K CA -0.871 55.326 56.287 -0.150 0.000 0.889 47 K CB 0.028 32.363 32.500 -0.275 0.000 1.011 47 K HN 0.356 nan 8.250 nan 0.000 0.505 48 V N 1.471 121.271 119.914 -0.190 0.000 2.775 48 V HA -0.028 4.091 4.120 -0.001 0.000 0.299 48 V C 0.132 176.044 176.094 -0.303 0.000 1.062 48 V CA 0.092 62.324 62.300 -0.113 0.000 1.063 48 V CB 0.295 32.081 31.823 -0.061 0.000 0.994 48 V HN 0.768 nan 8.190 nan 0.000 0.483 49 Y N 0.857 121.210 120.300 0.089 0.000 2.467 49 Y HA 0.366 4.916 4.550 -0.001 0.000 0.259 49 Y C 0.900 176.783 175.900 -0.028 0.000 1.084 49 Y CA -0.317 57.850 58.100 0.112 0.000 1.275 49 Y CB 0.709 39.264 38.460 0.159 0.000 1.208 49 Y HN 0.564 nan 8.280 nan 0.000 0.511 50 N N -0.920 117.747 118.700 -0.054 0.000 2.484 50 N HA 0.424 5.163 4.740 -0.001 0.000 0.269 50 N C 0.024 175.130 175.510 -0.673 0.000 1.237 50 N CA 0.403 53.170 53.050 -0.471 0.000 0.838 50 N CB 2.455 40.847 38.487 -0.158 0.000 1.593 50 N HN 0.310 nan 8.380 nan 0.000 0.485 51 G N 0.931 109.191 108.800 -0.901 0.000 2.552 51 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.265 51 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.265 51 G C -0.089 174.054 174.900 -1.263 0.000 1.234 51 G CA 0.975 45.154 45.100 -1.535 0.000 0.944 51 G HN 0.800 nan 8.290 nan 0.000 0.568 52 Q N -2.431 116.226 119.800 -1.905 0.000 1.409 52 Q HA -0.140 4.200 4.340 -0.001 0.000 0.359 52 Q C 1.195 176.975 176.000 -0.365 0.000 0.955 52 Q CA 1.543 56.916 55.803 -0.717 0.000 0.718 52 Q CB -1.557 27.001 28.738 -0.300 0.000 4.264 52 Q HN 2.580 nan 8.270 nan 0.000 0.586 53 A N 1.544 124.269 122.820 -0.157 0.000 2.531 53 A HA 0.183 4.503 4.320 -0.001 0.000 0.236 53 A C 0.429 177.981 177.584 -0.055 0.000 1.062 53 A CA 0.968 52.971 52.037 -0.058 0.000 0.760 53 A CB -0.079 18.909 19.000 -0.020 0.000 0.995 53 A HN 0.668 nan 8.150 nan 0.000 0.501 54 D N 0.431 120.833 120.400 0.003 0.000 2.497 54 D HA 0.157 4.797 4.640 -0.001 0.000 0.256 54 D C 0.360 176.681 176.300 0.035 0.000 1.273 54 D CA 0.563 54.571 54.000 0.013 0.000 0.812 54 D CB -0.579 40.235 40.800 0.024 0.000 1.190 54 D HN 0.662 nan 8.370 nan 0.000 0.524 55 G N 0.794 109.624 108.800 0.050 0.000 2.335 55 G HA2 0.593 4.553 3.960 -0.001 0.000 0.316 55 G HA3 0.593 4.553 3.960 -0.001 0.000 0.316 55 G C -0.814 174.105 174.900 0.031 0.000 1.129 55 G CA -0.639 44.495 45.100 0.058 0.000 0.899 55 G HN 0.147 nan 8.290 nan 0.000 0.448 56 L N 2.742 123.975 121.223 0.017 0.000 2.342 56 L HA 0.364 4.703 4.340 -0.001 0.000 0.276 56 L C 0.060 176.927 176.870 -0.005 0.000 0.997 56 L CA -0.815 54.017 54.840 -0.013 0.000 0.838 56 L CB 1.826 43.856 42.059 -0.048 0.000 1.224 56 L HN 0.367 nan 8.230 nan 0.000 0.416 57 Q N 0.512 120.305 119.800 -0.012 0.000 2.237 57 Q HA 0.211 4.550 4.340 -0.001 0.000 0.219 57 Q C 0.999 176.981 176.000 -0.029 0.000 0.999 57 Q CA -0.400 55.398 55.803 -0.007 0.000 0.959 57 Q CB 1.799 30.530 28.738 -0.011 0.000 1.173 57 Q HN 0.799 nan 8.270 nan 0.000 0.527 58 C N 0.396 119.692 119.300 -0.007 0.000 2.367 58 C HA -0.206 4.253 4.460 -0.001 0.000 0.276 58 C C 2.514 177.482 174.990 -0.035 0.000 1.195 58 C CA 1.188 60.214 59.018 0.013 0.000 1.756 58 C CB -0.846 26.903 27.740 0.016 0.000 2.046 58 C HN 0.815 nan 8.230 nan 0.000 0.453 59 R N 1.187 121.640 120.500 -0.078 0.000 2.096 59 R HA -0.090 4.250 4.340 -0.001 0.000 0.235 59 R C 2.018 178.222 176.300 -0.160 0.000 1.127 59 R CA 2.215 58.248 56.100 -0.112 0.000 0.968 59 R CB -1.192 29.032 30.300 -0.126 0.000 0.861 59 R HN 0.569 nan 8.270 nan 0.000 0.440 60 T N 0.944 115.404 114.554 -0.157 0.000 2.746 60 T HA -0.088 4.262 4.350 -0.001 0.000 0.267 60 T C 1.694 176.245 174.700 -0.249 0.000 1.039 60 T CA 1.580 63.562 62.100 -0.196 0.000 1.142 60 T CB -0.165 68.624 68.868 -0.131 0.000 0.866 60 T HN 0.155 nan 8.240 nan 0.000 0.444 61 L N 0.523 121.594 121.223 -0.253 0.000 2.093 61 L HA -0.051 4.288 4.340 -0.001 0.000 0.208 61 L C 2.708 179.252 176.870 -0.543 0.000 1.085 61 L CA 1.262 55.836 54.840 -0.443 0.000 0.755 61 L CB -0.527 41.220 42.059 -0.520 0.000 0.904 61 L HN 0.301 nan 8.230 nan 0.000 0.435 62 E N -0.241 119.789 120.200 -0.283 0.000 2.085 62 E HA -0.197 4.153 4.350 -0.001 0.000 0.194 62 E C 2.300 178.798 176.600 -0.171 0.000 0.994 62 E CA 1.620 57.954 56.400 -0.111 0.000 0.801 62 E CB -0.060 29.632 29.700 -0.014 0.000 0.743 62 E HN 0.382 nan 8.360 nan 0.000 0.453 63 S N 0.896 116.435 115.700 -0.270 0.000 2.368 63 S HA -0.075 4.395 4.470 -0.001 0.000 0.224 63 S C 2.047 176.471 174.600 -0.295 0.000 1.029 63 S CA 0.650 58.608 58.200 -0.403 0.000 0.988 63 S CB -0.153 62.497 63.200 -0.916 0.000 0.838 63 S HN 0.166 nan 8.310 nan 0.000 0.462 64 L N 1.250 122.301 121.223 -0.288 0.000 2.083 64 L HA -0.149 4.191 4.340 -0.001 0.000 0.209 64 L C 2.527 179.300 176.870 -0.161 0.000 1.083 64 L CA 1.215 55.933 54.840 -0.204 0.000 0.752 64 L CB -0.438 41.489 42.059 -0.220 0.000 0.899 64 L HN 0.221 nan 8.230 nan 0.000 0.433 65 K N 1.063 121.339 120.400 -0.206 0.000 2.057 65 K HA -0.183 4.137 4.320 -0.001 0.000 0.207 65 K C 1.521 178.090 176.600 -0.053 0.000 1.049 65 K CA 1.828 58.044 56.287 -0.118 0.000 0.931 65 K CB -0.414 32.047 32.500 -0.064 0.000 0.714 65 K HN 0.353 nan 8.250 nan 0.000 0.440 66 N N -0.286 118.389 118.700 -0.042 0.000 2.573 66 N HA -0.036 4.704 4.740 -0.001 0.000 0.187 66 N C 0.703 176.223 175.510 0.016 0.000 1.107 66 N CA 0.518 53.563 53.050 -0.007 0.000 0.918 66 N CB 0.038 38.546 38.487 0.034 0.000 0.966 66 N HN 0.161 nan 8.380 nan 0.000 0.448 67 L N -0.867 120.364 121.223 0.013 0.000 2.693 67 L HA 0.277 4.617 4.340 -0.001 0.000 0.235 67 L C 1.078 177.943 176.870 -0.007 0.000 1.127 67 L CA -0.192 54.663 54.840 0.025 0.000 0.914 67 L CB 0.374 42.465 42.059 0.053 0.000 1.193 67 L HN 0.128 nan 8.230 nan 0.000 0.502 68 G N 0.539 109.325 108.800 -0.023 0.000 2.147 68 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.244 68 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.244 68 G C 0.541 175.423 174.900 -0.029 0.000 1.005 68 G CA 0.395 45.481 45.100 -0.022 0.000 0.713 68 G HN 0.342 nan 8.290 nan 0.000 0.515 69 L N -0.908 120.286 121.223 -0.048 0.000 2.701 69 L HA 0.430 4.770 4.340 -0.001 0.000 0.238 69 L C 2.801 179.620 176.870 -0.085 0.000 1.106 69 L CA 0.897 55.703 54.840 -0.058 0.000 0.898 69 L CB -0.133 41.890 42.059 -0.060 0.000 1.188 69 L HN 0.283 nan 8.230 nan 0.000 0.508 70 A N 0.476 123.225 122.820 -0.118 0.000 1.877 70 A HA -0.210 4.110 4.320 -0.001 0.000 0.216 70 A C 1.803 179.332 177.584 -0.091 0.000 1.186 70 A CA 1.993 53.927 52.037 -0.172 0.000 0.620 70 A CB -0.383 18.427 19.000 -0.316 0.000 0.822 70 A HN 0.296 nan 8.150 nan 0.000 0.443 71 D N -0.206 120.172 120.400 -0.035 0.000 2.144 71 D HA -0.118 4.521 4.640 -0.001 0.000 0.199 71 D C 1.922 178.219 176.300 -0.006 0.000 0.984 71 D CA 1.423 55.426 54.000 0.004 0.000 0.834 71 D CB -0.266 40.549 40.800 0.025 0.000 0.955 71 D HN 0.507 nan 8.370 nan 0.000 0.465 72 K N 0.129 120.519 120.400 -0.017 0.000 2.057 72 K HA -0.015 4.305 4.320 -0.001 0.000 0.206 72 K C 2.282 178.867 176.600 -0.026 0.000 1.050 72 K CA 0.554 56.832 56.287 -0.014 0.000 0.935 72 K CB 0.007 32.498 32.500 -0.016 0.000 0.715 72 K HN 0.139 nan 8.250 nan 0.000 0.439 73 I N 1.042 121.585 120.570 -0.046 0.000 2.252 73 I HA -0.275 3.894 4.170 -0.001 0.000 0.245 73 I C 2.021 178.113 176.117 -0.042 0.000 1.102 73 I CA 1.190 62.455 61.300 -0.057 0.000 1.385 73 I CB -0.163 37.788 38.000 -0.083 0.000 1.064 73 I HN 0.112 nan 8.210 nan 0.000 0.414 74 L N 0.385 121.588 121.223 -0.033 0.000 2.191 74 L HA -0.171 4.169 4.340 -0.001 0.000 0.212 74 L C 2.671 179.545 176.870 0.007 0.000 1.103 74 L CA 1.324 56.160 54.840 -0.006 0.000 0.769 74 L CB -0.626 41.444 42.059 0.019 0.000 0.908 74 L HN 0.368 nan 8.230 nan 0.000 0.438 75 S N -0.964 114.739 115.700 0.005 0.000 2.469 75 S HA -0.160 4.309 4.470 -0.001 0.000 0.238 75 S C 1.539 176.145 174.600 0.011 0.000 0.998 75 S CA 1.183 59.390 58.200 0.012 0.000 0.957 75 S CB -0.069 63.140 63.200 0.014 0.000 0.764 75 S HN 0.566 nan 8.310 nan 0.000 0.514 76 E N 0.336 120.537 120.200 0.000 0.000 2.421 76 E HA 0.432 4.782 4.350 -0.001 0.000 0.209 76 E C 0.802 177.401 176.600 -0.001 0.000 0.871 76 E CA 0.221 56.620 56.400 -0.001 0.000 1.064 76 E CB 0.586 30.275 29.700 -0.019 0.000 1.075 76 E HN 0.585 nan 8.360 nan 0.000 0.513 77 A N 1.575 124.391 122.820 -0.007 0.000 2.346 77 A HA 0.283 4.603 4.320 -0.001 0.000 0.252 77 A C -0.099 177.498 177.584 0.023 0.000 1.089 77 A CA -0.141 51.896 52.037 -0.000 0.000 0.797 77 A CB 0.272 19.267 19.000 -0.008 0.000 1.047 77 A HN 0.107 nan 8.150 nan 0.000 0.494 78 N N -0.062 118.658 118.700 0.033 0.000 2.372 78 N HA 0.358 5.098 4.740 -0.001 0.000 0.291 78 N C -1.642 173.906 175.510 0.063 0.000 1.024 78 N CA -0.432 52.647 53.050 0.049 0.000 0.873 78 N CB 1.421 39.939 38.487 0.051 0.000 1.206 78 N HN 0.544 nan 8.380 nan 0.000 0.486 79 D N 3.791 124.236 120.400 0.075 0.000 2.396 79 D HA 0.159 4.799 4.640 -0.001 0.000 0.225 79 D C 0.902 177.257 176.300 0.092 0.000 1.121 79 D CA -0.116 53.946 54.000 0.102 0.000 0.853 79 D CB 0.657 41.539 40.800 0.138 0.000 1.043 79 D HN 0.591 nan 8.370 nan 0.000 0.500 80 M N 1.787 121.439 119.600 0.087 0.000 2.358 80 M HA -0.154 4.326 4.480 -0.001 0.000 0.264 80 M C 1.384 177.725 176.300 0.068 0.000 1.064 80 M CA 0.509 55.858 55.300 0.081 0.000 1.093 80 M CB -0.203 32.452 32.600 0.093 0.000 1.401 80 M HN 0.447 nan 8.290 nan 0.000 0.440 81 S N -1.588 114.146 115.700 0.057 0.000 1.637 81 S HA -0.182 4.287 4.470 -0.001 0.000 0.232 81 S C 0.662 175.258 174.600 -0.006 0.000 0.808 81 S CA 2.020 60.236 58.200 0.027 0.000 1.437 81 S CB -1.105 62.123 63.200 0.047 0.000 1.838 81 S HN 0.603 nan 8.310 nan 0.000 0.525 82 T N 1.736 116.299 114.554 0.014 0.000 2.893 82 T HA 0.735 5.085 4.350 -0.001 0.000 0.291 82 T C -0.492 174.212 174.700 0.006 0.000 1.028 82 T CA -0.458 61.640 62.100 -0.003 0.000 0.995 82 T CB 1.711 70.588 68.868 0.015 0.000 1.051 82 T HN 0.312 nan 8.240 nan 0.000 0.470 83 I N 2.427 122.967 120.570 -0.051 0.000 2.354 83 I HA 0.550 4.720 4.170 -0.001 0.000 0.286 83 I C 0.268 176.375 176.117 -0.016 0.000 1.007 83 I CA -0.772 60.486 61.300 -0.068 0.000 1.167 83 I CB 1.172 38.978 38.000 -0.323 0.000 1.320 83 I HN 0.663 nan 8.210 nan 0.000 0.458 84 A N 7.970 130.862 122.820 0.120 0.000 2.301 84 A HA 0.776 5.096 4.320 -0.001 0.000 0.312 84 A C -0.577 177.177 177.584 0.284 0.000 1.182 84 A CA -0.450 51.697 52.037 0.183 0.000 0.826 84 A CB 0.543 19.728 19.000 0.309 0.000 1.134 84 A HN 0.706 nan 8.150 nan 0.000 0.501 85 L N 2.657 123.995 121.223 0.191 0.000 2.287 85 L HA 0.447 4.786 4.340 -0.001 0.000 0.287 85 L C -1.275 175.739 176.870 0.240 0.000 1.022 85 L CA -0.406 54.597 54.840 0.272 0.000 0.814 85 L CB 0.863 43.031 42.059 0.183 0.000 1.217 85 L HN 0.688 nan 8.230 nan 0.000 0.420 86 Y N 2.530 122.978 120.300 0.246 0.000 2.393 86 Y HA 0.472 5.021 4.550 -0.001 0.000 0.341 86 Y C 0.020 176.046 175.900 0.209 0.000 0.988 86 Y CA -0.761 57.478 58.100 0.231 0.000 1.078 86 Y CB 2.050 40.696 38.460 0.309 0.000 1.203 86 Y HN 0.706 nan 8.280 nan 0.000 0.453 87 N N 1.110 119.980 118.700 0.284 0.000 3.020 87 N HA 0.578 5.317 4.740 -0.001 0.000 0.248 87 N C -3.469 172.144 175.510 0.172 0.000 1.480 87 N CA -2.244 50.929 53.050 0.204 0.000 0.874 87 N CB 1.929 40.478 38.487 0.104 0.000 1.433 87 N HN 0.037 nan 8.380 nan 0.000 0.530 88 P HA 0.208 nan 4.420 nan 0.000 0.278 88 P C -0.898 176.437 177.300 0.060 0.000 1.238 88 P CA -0.077 63.092 63.100 0.115 0.000 0.794 88 P CB 0.470 32.225 31.700 0.092 0.000 0.955 89 D N 0.063 120.486 120.400 0.038 0.000 2.469 89 D HA 0.038 4.678 4.640 -0.001 0.000 0.278 89 D C 1.147 177.408 176.300 -0.064 0.000 1.231 89 D CA -0.326 53.665 54.000 -0.014 0.000 1.075 89 D CB -0.172 40.615 40.800 -0.022 0.000 1.121 89 D HN 0.330 nan 8.370 nan 0.000 0.571 90 E N -0.888 119.266 120.200 -0.076 0.000 2.160 90 E HA -0.187 4.163 4.350 -0.001 0.000 0.195 90 E C 0.621 177.145 176.600 -0.127 0.000 0.991 90 E CA 0.827 57.180 56.400 -0.077 0.000 0.810 90 E CB -0.055 29.610 29.700 -0.059 0.000 0.742 90 E HN 0.349 nan 8.360 nan 0.000 0.466 91 N N -0.612 117.929 118.700 -0.265 0.000 2.314 91 N HA 0.023 4.762 4.740 -0.001 0.000 0.200 91 N C 0.703 175.959 175.510 -0.423 0.000 1.135 91 N CA 0.768 53.576 53.050 -0.404 0.000 0.835 91 N CB 1.144 39.279 38.487 -0.587 0.000 0.989 91 N HN 0.247 nan 8.380 nan 0.000 0.478 92 G N 1.101 109.785 108.800 -0.193 0.000 2.147 92 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.244 92 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.244 92 G C -0.422 174.618 174.900 0.234 0.000 1.005 92 G CA -0.058 45.064 45.100 0.037 0.000 0.713 92 G HN 0.612 nan 8.290 nan 0.000 0.515 93 H N -0.096 119.029 119.070 0.091 0.000 2.488 93 H HA 0.523 5.078 4.556 -0.001 0.000 0.322 93 H C 1.277 176.698 175.328 0.155 0.000 1.078 93 H CA -0.779 55.336 56.048 0.111 0.000 1.260 93 H CB 1.137 30.945 29.762 0.077 0.000 1.425 93 H HN 0.501 nan 8.280 nan 0.000 0.471 94 I N 1.783 122.558 120.570 0.341 0.000 2.692 94 I HA 0.215 4.385 4.170 -0.001 0.000 0.284 94 I C 0.086 176.478 176.117 0.458 0.000 1.159 94 I CA -0.375 61.157 61.300 0.388 0.000 1.423 94 I CB 0.408 38.675 38.000 0.445 0.000 1.380 94 I HN 0.574 nan 8.210 nan 0.000 0.580 95 R N 4.536 125.255 120.500 0.366 0.000 2.680 95 R HA 0.442 4.781 4.340 -0.001 0.000 0.269 95 R C -1.372 174.801 176.300 -0.212 0.000 1.026 95 R CA -1.029 55.182 56.100 0.186 0.000 0.889 95 R CB 0.979 31.346 30.300 0.111 0.000 1.241 95 R HN 0.885 nan 8.270 nan 0.000 0.463 96 R N 1.032 121.125 120.500 -0.679 0.000 2.296 96 R HA 0.120 4.460 4.340 -0.001 0.000 0.323 96 R C 0.366 176.467 176.300 -0.332 0.000 1.067 96 R CA 0.745 56.296 56.100 -0.916 0.000 0.946 96 R CB 0.468 30.218 30.300 -0.917 0.000 0.991 96 R HN 0.889 nan 8.270 nan 0.000 0.448 97 T N -0.393 114.041 114.554 -0.200 0.000 3.037 97 T HA 0.161 4.510 4.350 -0.001 0.000 0.252 97 T C 0.333 174.994 174.700 -0.066 0.000 1.073 97 T CA 0.006 62.055 62.100 -0.086 0.000 1.091 97 T CB 0.398 69.250 68.868 -0.026 0.000 0.935 97 T HN 0.449 nan 8.240 nan 0.000 0.488 98 D N -0.187 120.170 120.400 -0.072 0.000 2.671 98 D HA 0.481 5.120 4.640 -0.001 0.000 0.273 98 D C -1.418 174.853 176.300 -0.048 0.000 1.264 98 D CA -0.641 53.330 54.000 -0.049 0.000 0.788 98 D CB 2.379 43.164 40.800 -0.026 0.000 1.324 98 D HN 0.091 nan 8.370 nan 0.000 0.424 99 R N 0.534 121.006 120.500 -0.046 0.000 2.621 99 R HA 0.688 5.028 4.340 -0.001 0.000 0.284 99 R C -0.586 175.674 176.300 -0.068 0.000 0.998 99 R CA -0.767 55.306 56.100 -0.046 0.000 0.895 99 R CB 2.267 32.548 30.300 -0.032 0.000 1.195 99 R HN 0.453 nan 8.270 nan 0.000 0.450 100 I N -1.090 119.419 120.570 -0.103 0.000 2.828 100 I HA 0.681 4.850 4.170 -0.001 0.000 0.302 100 I C -2.619 173.422 176.117 -0.125 0.000 1.101 100 I CA -3.051 58.175 61.300 -0.123 0.000 1.031 100 I CB 2.581 40.477 38.000 -0.174 0.000 1.231 100 I HN 0.354 nan 8.210 nan 0.000 0.427 101 P HA 0.093 nan 4.420 nan 0.000 0.271 101 P C -0.413 176.816 177.300 -0.119 0.000 1.216 101 P CA 0.254 63.289 63.100 -0.108 0.000 0.776 101 P CB 1.254 32.889 31.700 -0.108 0.000 0.881 102 D N 1.411 121.752 120.400 -0.099 0.000 2.224 102 D HA -0.054 4.585 4.640 -0.001 0.000 0.205 102 D C -0.157 176.109 176.300 -0.057 0.000 0.965 102 D CA 1.266 55.228 54.000 -0.062 0.000 0.852 102 D CB 0.241 41.032 40.800 -0.014 0.000 0.947 102 D HN 0.258 nan 8.370 nan 0.000 0.494 103 T N 0.290 114.771 114.554 -0.122 0.000 2.824 103 T HA 0.387 4.737 4.350 -0.001 0.000 0.282 103 T C -0.367 174.246 174.700 -0.144 0.000 0.993 103 T CA -0.707 61.314 62.100 -0.131 0.000 0.967 103 T CB 1.632 70.371 68.868 -0.215 0.000 0.960 103 T HN -0.029 nan 8.240 nan 0.000 0.441 104 L N 4.679 125.845 121.223 -0.096 0.000 2.462 104 L HA 0.242 4.582 4.340 -0.001 0.000 0.272 104 L C -1.982 174.834 176.870 -0.090 0.000 1.166 104 L CA -1.755 53.034 54.840 -0.085 0.000 0.880 104 L CB -0.075 41.946 42.059 -0.064 0.000 1.142 104 L HN 0.334 nan 8.230 nan 0.000 0.473 105 P HA 0.001 nan 4.420 nan 0.000 0.262 105 P C 0.803 178.074 177.300 -0.048 0.000 1.182 105 P CA 0.800 63.861 63.100 -0.066 0.000 0.761 105 P CB 0.710 32.378 31.700 -0.053 0.000 0.795 106 G N 3.104 111.884 108.800 -0.033 0.000 2.179 106 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.260 106 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.260 106 G C 0.874 175.742 174.900 -0.053 0.000 0.977 106 G CA 0.216 45.292 45.100 -0.039 0.000 0.641 106 G HN 0.565 nan 8.290 nan 0.000 0.533 107 I N 0.102 120.643 120.570 -0.049 0.000 2.546 107 I HA 0.327 4.497 4.170 -0.001 0.000 0.255 107 I C 1.066 177.148 176.117 -0.057 0.000 1.163 107 I CA 1.652 62.919 61.300 -0.056 0.000 1.457 107 I CB 0.157 38.125 38.000 -0.054 0.000 1.092 107 I HN 0.357 nan 8.210 nan 0.000 0.434 108 S N -1.147 114.529 115.700 -0.040 0.000 2.567 108 S HA 0.263 4.732 4.470 -0.001 0.000 0.270 108 S C 0.592 175.146 174.600 -0.077 0.000 1.152 108 S CA -0.852 57.319 58.200 -0.049 0.000 0.835 108 S CB 1.050 64.254 63.200 0.007 0.000 1.115 108 S HN 0.333 nan 8.310 nan 0.000 0.459 109 R N 0.776 121.147 120.500 -0.214 0.000 2.236 109 R HA 0.102 4.442 4.340 -0.001 0.000 0.208 109 R C -0.522 175.476 176.300 -0.505 0.000 1.036 109 R CA 0.594 56.444 56.100 -0.418 0.000 1.001 109 R CB -0.357 29.477 30.300 -0.777 0.000 0.896 109 R HN 0.515 nan 8.270 nan 0.000 0.464 110 Y N 1.304 121.536 120.300 -0.113 0.000 2.334 110 Y HA 0.331 4.881 4.550 -0.001 0.000 0.328 110 Y C 0.206 176.152 175.900 0.076 0.000 1.130 110 Y CA -0.769 57.278 58.100 -0.087 0.000 1.163 110 Y CB 1.090 39.498 38.460 -0.088 0.000 1.207 110 Y HN -0.021 nan 8.280 nan 0.000 0.471 111 H N 0.645 119.780 119.070 0.109 0.000 2.525 111 H HA 0.206 4.762 4.556 -0.001 0.000 0.340 111 H C -0.444 174.922 175.328 0.063 0.000 1.168 111 H CA -1.239 54.844 56.048 0.058 0.000 1.247 111 H CB 1.296 31.082 29.762 0.041 0.000 1.568 111 H HN 0.569 nan 8.280 nan 0.000 0.536 112 Q N 1.973 121.874 119.800 0.167 0.000 2.349 112 Q HA 0.168 4.507 4.340 -0.001 0.000 0.287 112 Q C -0.786 175.280 176.000 0.109 0.000 1.044 112 Q CA -0.239 55.626 55.803 0.103 0.000 0.918 112 Q CB 0.511 29.297 28.738 0.080 0.000 1.242 112 Q HN 0.457 nan 8.270 nan 0.000 0.405 113 V N 0.926 120.883 119.914 0.071 0.000 3.130 113 V HA 0.858 4.978 4.120 -0.001 0.000 0.310 113 V C -0.695 175.426 176.094 0.044 0.000 1.158 113 V CA -0.688 61.648 62.300 0.061 0.000 1.029 113 V CB 1.739 33.588 31.823 0.042 0.000 1.057 113 V HN 0.691 nan 8.190 nan 0.000 0.436 114 V N 0.441 120.380 119.914 0.043 0.000 2.735 114 V HA 0.996 5.116 4.120 -0.001 0.000 0.310 114 V C -0.976 175.127 176.094 0.015 0.000 1.061 114 V CA -0.767 61.556 62.300 0.039 0.000 0.913 114 V CB 1.380 33.242 31.823 0.066 0.000 1.005 114 V HN 1.714 nan 8.190 nan 0.000 0.428 115 L N 3.895 125.114 121.223 -0.007 0.000 2.703 115 L HA 0.474 4.813 4.340 -0.001 0.000 0.257 115 L C -0.444 176.376 176.870 -0.084 0.000 0.923 115 L CA -0.256 54.550 54.840 -0.058 0.000 0.936 115 L CB 1.954 43.956 42.059 -0.095 0.000 1.482 115 L HN 1.165 nan 8.230 nan 0.000 0.432 116 H N 2.396 121.432 119.070 -0.056 0.000 2.757 116 H HA 0.114 4.670 4.556 -0.001 0.000 0.370 116 H C 0.267 175.529 175.328 -0.109 0.000 1.172 116 H CA 0.393 56.375 56.048 -0.110 0.000 1.426 116 H CB 0.829 30.501 29.762 -0.151 0.000 1.438 116 H HN 0.890 nan 8.280 nan 0.000 0.612 117 Q N 2.007 121.828 119.800 0.035 0.000 2.181 117 Q HA -0.112 4.228 4.340 -0.001 0.000 0.205 117 Q C 2.214 178.214 176.000 0.001 0.000 0.980 117 Q CA 1.709 57.498 55.803 -0.024 0.000 0.862 117 Q CB -0.525 28.172 28.738 -0.067 0.000 0.905 117 Q HN 0.957 nan 8.270 nan 0.000 0.429 118 G N 0.609 109.533 108.800 0.206 0.000 2.442 118 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.219 118 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.219 118 G C 1.411 176.284 174.900 -0.045 0.000 1.141 118 G CA 0.480 45.641 45.100 0.100 0.000 0.763 118 G HN 0.194 nan 8.290 nan 0.000 0.554 119 R N 0.137 120.492 120.500 -0.242 0.000 2.090 119 R HA 0.072 4.411 4.340 -0.001 0.000 0.228 119 R C 2.488 178.701 176.300 -0.145 0.000 1.110 119 R CA 0.403 56.366 56.100 -0.228 0.000 0.973 119 R CB -0.824 29.249 30.300 -0.378 0.000 0.869 119 R HN 0.328 nan 8.270 nan 0.000 0.440 120 I N 1.495 121.980 120.570 -0.143 0.000 2.226 120 I HA -0.178 3.992 4.170 -0.001 0.000 0.245 120 I C 2.074 178.147 176.117 -0.074 0.000 1.100 120 I CA 1.117 62.359 61.300 -0.096 0.000 1.374 120 I CB -1.159 36.793 38.000 -0.081 0.000 1.057 120 I HN 0.207 nan 8.210 nan 0.000 0.413 121 E N 0.363 120.517 120.200 -0.077 0.000 2.085 121 E HA -0.275 4.074 4.350 -0.001 0.000 0.194 121 E C 2.275 178.832 176.600 -0.072 0.000 0.994 121 E CA 1.300 57.656 56.400 -0.074 0.000 0.801 121 E CB -0.161 29.481 29.700 -0.096 0.000 0.743 121 E HN 0.289 nan 8.360 nan 0.000 0.453 122 R N 1.231 121.685 120.500 -0.077 0.000 2.083 122 R HA -0.135 4.205 4.340 -0.001 0.000 0.237 122 R C 2.179 178.456 176.300 -0.038 0.000 1.137 122 R CA 1.498 57.566 56.100 -0.053 0.000 0.951 122 R CB -0.061 30.220 30.300 -0.031 0.000 0.851 122 R HN -0.038 nan 8.270 nan 0.000 0.434 123 R N 0.466 120.940 120.500 -0.043 0.000 2.081 123 R HA -0.038 4.301 4.340 -0.001 0.000 0.235 123 R C 2.372 178.655 176.300 -0.029 0.000 1.131 123 R CA 1.758 57.837 56.100 -0.035 0.000 0.960 123 R CB -0.763 29.510 30.300 -0.044 0.000 0.856 123 R HN 0.409 nan 8.270 nan 0.000 0.436 124 I N 0.806 121.357 120.570 -0.032 0.000 2.315 124 I HA -0.231 3.939 4.170 -0.001 0.000 0.248 124 I C 2.320 178.428 176.117 -0.015 0.000 1.117 124 I CA 0.935 62.223 61.300 -0.020 0.000 1.404 124 I CB -0.380 37.610 38.000 -0.017 0.000 1.071 124 I HN 0.028 nan 8.210 nan 0.000 0.419 125 L N 0.573 121.783 121.223 -0.022 0.000 2.042 125 L HA -0.264 4.076 4.340 -0.001 0.000 0.210 125 L C 2.217 179.080 176.870 -0.011 0.000 1.076 125 L CA 1.425 56.254 54.840 -0.018 0.000 0.749 125 L CB -0.681 41.361 42.059 -0.028 0.000 0.893 125 L HN 0.265 nan 8.230 nan 0.000 0.432 126 D N -1.025 119.367 120.400 -0.012 0.000 2.117 126 D HA -0.180 4.460 4.640 -0.001 0.000 0.197 126 D C 2.369 178.666 176.300 -0.005 0.000 0.987 126 D CA 1.480 55.476 54.000 -0.007 0.000 0.829 126 D CB -0.127 40.669 40.800 -0.006 0.000 0.961 126 D HN 0.128 nan 8.370 nan 0.000 0.460 127 S N -0.213 115.483 115.700 -0.006 0.000 2.368 127 S HA -0.085 4.384 4.470 -0.001 0.000 0.225 127 S C 2.124 176.724 174.600 0.001 0.000 1.030 127 S CA 0.483 58.681 58.200 -0.003 0.000 0.999 127 S CB -0.244 62.953 63.200 -0.004 0.000 0.844 127 S HN 0.160 nan 8.310 nan 0.000 0.459 128 I N 1.624 122.197 120.570 0.003 0.000 2.163 128 I HA -0.222 3.948 4.170 -0.001 0.000 0.243 128 I C 2.765 178.886 176.117 0.006 0.000 1.085 128 I CA 1.248 62.553 61.300 0.008 0.000 1.347 128 I CB -0.527 37.478 38.000 0.009 0.000 1.044 128 I HN 0.370 nan 8.210 nan 0.000 0.408 129 A N 0.119 122.941 122.820 0.003 0.000 1.883 129 A HA -0.284 4.035 4.320 -0.001 0.000 0.217 129 A C 2.343 179.929 177.584 0.003 0.000 1.186 129 A CA 2.075 54.114 52.037 0.003 0.000 0.624 129 A CB -0.689 18.311 19.000 0.000 0.000 0.822 129 A HN 0.526 nan 8.150 nan 0.000 0.444 130 E N -0.375 119.826 120.200 0.001 0.000 2.031 130 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 130 E C 1.874 178.474 176.600 -0.001 0.000 0.994 130 E CA 1.406 57.806 56.400 0.000 0.000 0.800 130 E CB -0.154 29.545 29.700 -0.001 0.000 0.752 130 E HN 0.482 nan 8.360 nan 0.000 0.447 131 I N 1.441 122.010 120.570 -0.002 0.000 2.315 131 I HA -0.183 3.987 4.170 -0.001 0.000 0.248 131 I C 2.625 178.740 176.117 -0.002 0.000 1.117 131 I CA 1.436 62.732 61.300 -0.007 0.000 1.404 131 I CB -1.254 36.740 38.000 -0.010 0.000 1.071 131 I HN 0.184 nan 8.210 nan 0.000 0.419 132 S N -0.506 115.198 115.700 0.006 0.000 2.548 132 S HA -0.043 4.426 4.470 -0.001 0.000 0.215 132 S C 0.758 175.365 174.600 0.012 0.000 0.976 132 S CA 0.245 58.453 58.200 0.013 0.000 0.908 132 S CB -0.297 62.915 63.200 0.020 0.000 0.781 132 S HN 0.413 nan 8.310 nan 0.000 0.519 133 D N 2.155 122.560 120.400 0.008 0.000 2.697 133 D HA -0.192 4.448 4.640 -0.001 0.000 0.238 133 D C 0.648 176.954 176.300 0.009 0.000 1.152 133 D CA 1.606 55.610 54.000 0.007 0.000 0.666 133 D CB -2.146 38.658 40.800 0.007 0.000 1.037 133 D HN 0.971 nan 8.370 nan 0.000 0.423 134 T N -3.408 111.151 114.554 0.009 0.000 4.881 134 T HA -0.399 3.951 4.350 -0.001 0.000 0.318 134 T C 1.306 176.014 174.700 0.014 0.000 1.054 134 T CA 1.911 64.016 62.100 0.009 0.000 2.138 134 T CB -1.612 67.259 68.868 0.006 0.000 2.039 134 T HN 0.680 nan 8.240 nan 0.000 0.926 135 R N 0.083 120.594 120.500 0.018 0.000 2.280 135 R HA 0.375 4.715 4.340 -0.001 0.000 0.207 135 R C 0.851 177.168 176.300 0.028 0.000 1.043 135 R CA 0.957 57.072 56.100 0.025 0.000 1.006 135 R CB 0.108 30.425 30.300 0.029 0.000 0.885 135 R HN 0.597 nan 8.270 nan 0.000 0.467 136 I N 1.335 121.920 120.570 0.025 0.000 2.410 136 I HA 0.243 4.413 4.170 -0.001 0.000 0.286 136 I C -0.626 175.501 176.117 0.016 0.000 1.009 136 I CA -0.516 60.799 61.300 0.025 0.000 1.111 136 I CB 1.757 39.774 38.000 0.029 0.000 1.262 136 I HN -0.172 nan 8.210 nan 0.000 0.443 137 K N 5.048 125.457 120.400 0.014 0.000 2.422 137 K HA 0.540 4.860 4.320 -0.001 0.000 0.251 137 K C -0.999 175.603 176.600 0.002 0.000 0.933 137 K CA -0.870 55.421 56.287 0.006 0.000 0.798 137 K CB 3.213 35.715 32.500 0.004 0.000 1.238 137 K HN 0.207 nan 8.250 nan 0.000 0.428 138 V N 2.707 122.617 119.914 -0.005 0.000 2.585 138 V HA -0.006 4.114 4.120 -0.001 0.000 0.296 138 V C 0.088 176.172 176.094 -0.017 0.000 1.035 138 V CA 0.237 62.530 62.300 -0.012 0.000 1.084 138 V CB 0.373 32.186 31.823 -0.016 0.000 0.953 138 V HN 0.692 nan 8.190 nan 0.000 0.483 139 E N 6.117 126.304 120.200 -0.023 0.000 2.109 139 E HA 0.630 4.980 4.350 -0.001 0.000 0.278 139 E C -0.179 176.387 176.600 -0.057 0.000 0.954 139 E CA -0.577 55.806 56.400 -0.028 0.000 0.779 139 E CB 1.279 30.966 29.700 -0.021 0.000 1.093 139 E HN 0.725 nan 8.360 nan 0.000 0.401 140 R N 2.043 122.510 120.500 -0.054 0.000 2.629 140 R HA 0.444 4.784 4.340 -0.001 0.000 0.266 140 R C -3.250 173.015 176.300 -0.058 0.000 1.051 140 R CA -2.053 54.016 56.100 -0.052 0.000 0.895 140 R CB 1.487 31.772 30.300 -0.026 0.000 1.246 140 R HN 0.177 nan 8.270 nan 0.000 0.459 141 P HA 0.325 nan 4.420 nan 0.000 0.293 141 P C -1.193 176.071 177.300 -0.060 0.000 1.313 141 P CA -0.518 62.590 63.100 0.013 0.000 0.787 141 P CB 1.153 32.915 31.700 0.103 0.000 0.910 142 L N 4.598 125.729 121.223 -0.152 0.000 2.370 142 L HA 0.618 4.958 4.340 -0.001 0.000 0.266 142 L C -0.056 176.668 176.870 -0.243 0.000 1.002 142 L CA -0.734 53.929 54.840 -0.295 0.000 0.818 142 L CB 2.253 44.043 42.059 -0.449 0.000 1.325 142 L HN 0.362 nan 8.230 nan 0.000 0.418 143 I N 2.681 123.083 120.570 -0.279 0.000 2.656 143 I HA 0.526 4.696 4.170 -0.001 0.000 0.292 143 I C -2.605 173.276 176.117 -0.393 0.000 1.144 143 I CA -1.995 59.124 61.300 -0.300 0.000 1.038 143 I CB 3.104 40.956 38.000 -0.246 0.000 1.244 143 I HN 0.398 nan 8.210 nan 0.000 0.420 144 P HA 0.236 nan 4.420 nan 0.000 0.275 144 P C -0.611 176.203 177.300 -0.809 0.000 1.227 144 P CA 0.023 62.701 63.100 -0.703 0.000 0.781 144 P CB 0.671 31.750 31.700 -1.035 0.000 0.906 145 E N 1.338 121.293 120.200 -0.408 0.000 2.434 145 E HA 0.108 4.458 4.350 -0.001 0.000 0.207 145 E C 0.311 176.980 176.600 0.115 0.000 0.929 145 E CA 0.303 56.604 56.400 -0.166 0.000 1.001 145 E CB 0.805 30.463 29.700 -0.070 0.000 1.016 145 E HN 0.389 nan 8.360 nan 0.000 0.502 146 K N 0.837 121.328 120.400 0.152 0.000 2.557 146 K HA 0.403 4.723 4.320 -0.001 0.000 0.261 146 K C -1.920 174.870 176.600 0.317 0.000 0.932 146 K CA -0.417 56.049 56.287 0.297 0.000 0.829 146 K CB 2.248 34.827 32.500 0.133 0.000 1.358 146 K HN -0.060 nan 8.250 nan 0.000 0.430 147 M N 3.215 122.988 119.600 0.289 0.000 2.267 147 M HA 0.378 4.858 4.480 -0.001 0.000 0.289 147 M C -1.873 174.456 176.300 0.049 0.000 1.043 147 M CA -0.232 55.169 55.300 0.168 0.000 0.928 147 M CB 1.979 34.688 32.600 0.182 0.000 1.613 147 M HN 0.567 nan 8.290 nan 0.000 0.450 148 E N 5.408 125.627 120.200 0.031 0.000 2.210 148 E HA 0.595 4.944 4.350 -0.001 0.000 0.266 148 E C -1.382 175.221 176.600 0.005 0.000 0.883 148 E CA -0.605 55.801 56.400 0.010 0.000 0.761 148 E CB 2.796 32.508 29.700 0.020 0.000 1.156 148 E HN 0.640 nan 8.360 nan 0.000 0.412 149 I N 1.920 122.482 120.570 -0.013 0.000 2.436 149 I HA 0.197 4.367 4.170 -0.001 0.000 0.289 149 I C -0.723 175.386 176.117 -0.013 0.000 1.010 149 I CA -0.788 60.501 61.300 -0.019 0.000 1.098 149 I CB 1.639 39.613 38.000 -0.044 0.000 1.266 149 I HN 0.442 nan 8.210 nan 0.000 0.434 150 D N 4.328 124.724 120.400 -0.006 0.000 2.467 150 D HA 0.206 4.846 4.640 -0.001 0.000 0.220 150 D C 0.736 177.027 176.300 -0.015 0.000 1.103 150 D CA -0.019 53.979 54.000 -0.003 0.000 0.886 150 D CB 1.289 42.095 40.800 0.011 0.000 1.025 150 D HN 0.393 nan 8.370 nan 0.000 0.514 151 S N 1.286 116.977 115.700 -0.016 0.000 2.447 151 S HA -0.155 4.314 4.470 -0.001 0.000 0.233 151 S C 1.968 176.558 174.600 -0.016 0.000 1.006 151 S CA 1.050 59.239 58.200 -0.019 0.000 0.957 151 S CB -0.003 63.189 63.200 -0.013 0.000 0.773 151 S HN 0.659 nan 8.310 nan 0.000 0.507 152 S N 1.325 117.019 115.700 -0.010 0.000 2.474 152 S HA 0.048 4.517 4.470 -0.001 0.000 0.235 152 S C 1.199 175.792 174.600 -0.011 0.000 0.997 152 S CA 0.619 58.814 58.200 -0.008 0.000 0.949 152 S CB -0.219 62.979 63.200 -0.003 0.000 0.766 152 S HN 0.431 nan 8.310 nan 0.000 0.517 153 K N 0.507 120.897 120.400 -0.016 0.000 2.399 153 K HA 0.456 4.776 4.320 -0.001 0.000 0.204 153 K C 1.813 178.387 176.600 -0.044 0.000 1.023 153 K CA 0.352 56.625 56.287 -0.024 0.000 1.127 153 K CB 0.204 32.694 32.500 -0.016 0.000 0.856 153 K HN 0.396 nan 8.250 nan 0.000 0.514 154 A N 1.601 124.397 122.820 -0.041 0.000 1.940 154 A HA -0.168 4.151 4.320 -0.001 0.000 0.219 154 A C 1.558 179.117 177.584 -0.043 0.000 1.176 154 A CA 1.501 53.506 52.037 -0.054 0.000 0.631 154 A CB -0.024 18.954 19.000 -0.037 0.000 0.814 154 A HN 0.137 nan 8.150 nan 0.000 0.446 155 E N 0.159 120.344 120.200 -0.025 0.000 2.463 155 E HA 0.061 4.411 4.350 -0.001 0.000 0.193 155 E C -0.629 175.962 176.600 -0.016 0.000 1.041 155 E CA -0.101 56.293 56.400 -0.010 0.000 0.879 155 E CB -0.016 29.683 29.700 -0.001 0.000 0.997 155 E HN 0.534 nan 8.360 nan 0.000 0.478 156 D N 1.749 122.129 120.400 -0.033 0.000 2.313 156 D HA 0.077 4.717 4.640 -0.001 0.000 0.239 156 D C -1.493 174.774 176.300 -0.056 0.000 1.142 156 D CA -2.245 51.734 54.000 -0.035 0.000 0.847 156 D CB 1.590 42.370 40.800 -0.033 0.000 1.082 156 D HN -0.142 nan 8.370 nan 0.000 0.480 157 P HA -0.063 nan 4.420 nan 0.000 0.223 157 P C 0.505 177.753 177.300 -0.087 0.000 1.151 157 P CA 0.681 63.756 63.100 -0.041 0.000 0.787 157 P CB 0.625 32.319 31.700 -0.010 0.000 0.788 158 E N -0.401 119.750 120.200 -0.082 0.000 2.474 158 E HA 0.186 4.536 4.350 -0.001 0.000 0.194 158 E C 1.120 177.626 176.600 -0.158 0.000 1.041 158 E CA -0.070 56.271 56.400 -0.099 0.000 0.874 158 E CB 0.014 29.694 29.700 -0.034 0.000 0.914 158 E HN 0.198 nan 8.360 nan 0.000 0.498 159 A N 0.531 123.259 122.820 -0.154 0.000 2.287 159 A HA 0.384 4.704 4.320 -0.001 0.000 0.273 159 A C -0.821 176.586 177.584 -0.295 0.000 1.091 159 A CA -0.217 51.756 52.037 -0.107 0.000 0.817 159 A CB 0.160 19.130 19.000 -0.050 0.000 1.069 159 A HN 0.091 nan 8.150 nan 0.000 0.492 160 Y N 0.640 120.957 120.300 0.029 0.000 2.863 160 Y HA 0.339 4.889 4.550 -0.001 0.000 0.348 160 Y C -1.886 174.028 175.900 0.024 0.000 1.028 160 Y CA -1.639 56.494 58.100 0.054 0.000 1.213 160 Y CB 1.200 39.774 38.460 0.189 0.000 1.120 160 Y HN 0.528 nan 8.280 nan 0.000 0.598 161 P HA -0.039 nan 4.420 nan 0.000 0.233 161 P C -0.268 177.048 177.300 0.027 0.000 1.167 161 P CA 0.829 63.934 63.100 0.008 0.000 0.770 161 P CB 0.484 32.139 31.700 -0.076 0.000 0.837 162 V N -0.097 119.844 119.914 0.046 0.000 2.378 162 V HA 0.256 4.375 4.120 -0.001 0.000 0.288 162 V C 0.070 176.205 176.094 0.069 0.000 1.016 162 V CA -0.361 61.963 62.300 0.040 0.000 0.840 162 V CB 1.417 33.249 31.823 0.014 0.000 0.994 162 V HN -0.149 nan 8.190 nan 0.000 0.431 163 T N 6.914 121.497 114.554 0.048 0.000 2.743 163 T HA 0.540 4.890 4.350 -0.001 0.000 0.292 163 T C -0.129 174.554 174.700 -0.028 0.000 0.972 163 T CA -0.390 61.702 62.100 -0.014 0.000 0.967 163 T CB 0.647 69.515 68.868 0.001 0.000 0.926 163 T HN 0.357 nan 8.240 nan 0.000 0.459 164 M N 3.053 122.612 119.600 -0.069 0.000 2.268 164 M HA 0.345 4.825 4.480 -0.001 0.000 0.344 164 M C 0.054 176.305 176.300 -0.081 0.000 1.106 164 M CA -0.568 54.713 55.300 -0.032 0.000 1.010 164 M CB 1.356 33.943 32.600 -0.023 0.000 1.649 164 M HN 0.384 nan 8.290 nan 0.000 0.443 165 T N 5.196 119.721 114.554 -0.049 0.000 2.743 165 T HA 0.710 5.060 4.350 -0.001 0.000 0.292 165 T C 0.043 174.682 174.700 -0.102 0.000 0.972 165 T CA -0.453 61.612 62.100 -0.058 0.000 0.967 165 T CB 0.704 69.565 68.868 -0.012 0.000 0.926 165 T HN 0.462 nan 8.240 nan 0.000 0.459 166 L N 2.979 124.136 121.223 -0.110 0.000 2.334 166 L HA 0.684 5.023 4.340 -0.001 0.000 0.273 166 L C 0.240 177.023 176.870 -0.145 0.000 1.013 166 L CA -1.154 53.576 54.840 -0.184 0.000 0.816 166 L CB 1.978 43.891 42.059 -0.244 0.000 1.278 166 L HN 0.392 nan 8.230 nan 0.000 0.431 167 R N 0.972 121.355 120.500 -0.195 0.000 2.494 167 R HA 0.419 4.759 4.340 -0.001 0.000 0.305 167 R C -1.592 174.602 176.300 -0.176 0.000 0.959 167 R CA -0.614 55.423 56.100 -0.104 0.000 0.864 167 R CB 1.218 31.471 30.300 -0.079 0.000 1.159 167 R HN 0.394 nan 8.270 nan 0.000 0.446 168 Y N 4.436 124.699 120.300 -0.061 0.000 2.393 168 Y HA 0.204 4.754 4.550 -0.001 0.000 0.338 168 Y C 0.504 176.401 175.900 -0.004 0.000 1.029 168 Y CA 0.041 58.120 58.100 -0.034 0.000 1.239 168 Y CB 1.042 39.481 38.460 -0.036 0.000 1.170 168 Y HN 0.368 nan 8.280 nan 0.000 0.515 169 M N 2.567 122.237 119.600 0.116 0.000 2.342 169 M HA 0.352 4.832 4.480 -0.001 0.000 0.332 169 M C 0.323 176.743 176.300 0.200 0.000 1.166 169 M CA -0.669 54.696 55.300 0.109 0.000 1.086 169 M CB 1.271 33.907 32.600 0.059 0.000 1.541 169 M HN 0.673 nan 8.290 nan 0.000 0.462 170 S N -0.084 115.671 115.700 0.093 0.000 2.614 170 S HA 0.146 4.615 4.470 -0.001 0.000 0.265 170 S C 0.810 175.294 174.600 -0.192 0.000 1.303 170 S CA -0.602 57.599 58.200 0.002 0.000 1.000 170 S CB 1.139 64.308 63.200 -0.052 0.000 0.935 170 S HN 0.874 nan 8.310 nan 0.000 0.551 171 E N 0.533 120.304 120.200 -0.714 0.000 2.077 171 E HA -0.218 4.131 4.350 -0.001 0.000 0.193 171 E C 0.846 177.270 176.600 -0.293 0.000 0.989 171 E CA 1.587 57.500 56.400 -0.813 0.000 0.800 171 E CB -0.249 28.799 29.700 -1.086 0.000 0.746 171 E HN 0.743 nan 8.360 nan 0.000 0.452 172 D N 0.581 120.849 120.400 -0.220 0.000 2.182 172 D HA -0.169 4.471 4.640 -0.001 0.000 0.201 172 D C 1.583 177.842 176.300 -0.067 0.000 0.986 172 D CA 1.121 55.052 54.000 -0.115 0.000 0.847 172 D CB -0.124 40.621 40.800 -0.091 0.000 0.942 172 D HN 0.398 nan 8.370 nan 0.000 0.467 173 E N 0.201 120.367 120.200 -0.057 0.000 2.208 173 E HA -0.032 4.318 4.350 -0.001 0.000 0.193 173 E C 0.780 177.376 176.600 -0.008 0.000 0.988 173 E CA 0.173 56.558 56.400 -0.024 0.000 0.828 173 E CB 0.103 29.795 29.700 -0.013 0.000 0.763 173 E HN -0.021 nan 8.360 nan 0.000 0.478 174 S N 1.099 116.800 115.700 0.001 0.000 2.505 174 S HA 0.048 4.518 4.470 -0.001 0.000 0.276 174 S C -0.019 174.598 174.600 0.028 0.000 1.274 174 S CA -0.481 57.737 58.200 0.030 0.000 1.053 174 S CB 0.851 64.095 63.200 0.073 0.000 0.919 174 S HN -0.089 nan 8.310 nan 0.000 0.490 175 T N 8.070 122.645 114.554 0.036 0.000 2.727 175 T HA 0.351 4.700 4.350 -0.001 0.000 0.295 175 T C -2.167 172.571 174.700 0.063 0.000 0.915 175 T CA -0.699 61.426 62.100 0.042 0.000 1.066 175 T CB 0.516 69.409 68.868 0.042 0.000 0.891 175 T HN 0.572 nan 8.240 nan 0.000 0.516 176 P HA 0.317 nan 4.420 nan 0.000 0.274 176 P C -0.456 176.907 177.300 0.105 0.000 1.256 176 P CA -0.723 62.427 63.100 0.083 0.000 0.795 176 P CB 0.564 32.300 31.700 0.060 0.000 1.038 177 L N 0.954 122.261 121.223 0.140 0.000 2.326 177 L HA 0.224 4.564 4.340 -0.001 0.000 0.278 177 L C 2.009 178.964 176.870 0.141 0.000 1.092 177 L CA -0.102 54.851 54.840 0.189 0.000 0.810 177 L CB 0.462 42.675 42.059 0.257 0.000 1.153 177 L HN 0.500 nan 8.230 nan 0.000 0.439 178 Q N 2.832 122.715 119.800 0.139 0.000 2.119 178 Q HA -0.079 4.261 4.340 -0.001 0.000 0.201 178 Q C -0.034 175.821 176.000 -0.243 0.000 0.972 178 Q CA 1.517 57.273 55.803 -0.079 0.000 0.847 178 Q CB 0.159 28.816 28.738 -0.135 0.000 0.903 178 Q HN 0.575 nan 8.270 nan 0.000 0.433 179 F N 0.769 120.850 119.950 0.218 0.000 2.334 179 F HA 0.463 4.990 4.527 -0.000 0.000 0.343 179 F C 0.705 176.623 175.800 0.196 0.000 1.136 179 F CA -0.634 57.495 58.000 0.215 0.000 1.237 179 F CB 0.739 39.935 39.000 0.327 0.000 1.525 179 F HN 0.046 nan 8.300 nan 0.000 0.528 180 G N -0.205 108.733 108.800 0.230 0.000 2.509 180 G HA2 0.045 4.005 3.960 -0.001 0.000 0.269 180 G HA3 0.045 4.005 3.960 -0.001 0.000 0.269 180 G C -0.618 174.307 174.900 0.042 0.000 1.416 180 G CA -0.464 44.753 45.100 0.194 0.000 1.052 180 G HN 0.524 nan 8.290 nan 0.000 0.542 181 H N 0.356 119.176 119.070 -0.416 0.000 2.897 181 H HA 0.184 4.739 4.556 -0.001 0.000 0.347 181 H C -0.517 174.666 175.328 -0.243 0.000 1.068 181 H CA 0.684 56.335 56.048 -0.662 0.000 1.426 181 H CB 0.425 29.495 29.762 -1.152 0.000 1.410 181 H HN 0.150 nan 8.280 nan 0.000 0.597 182 K N 3.584 123.474 120.400 -0.851 0.000 2.345 182 K HA 0.186 4.505 4.320 -0.001 0.000 0.255 182 K C -0.449 175.720 176.600 -0.717 0.000 0.934 182 K CA -0.817 55.139 56.287 -0.550 0.000 0.801 182 K CB 1.928 34.291 32.500 -0.228 0.000 1.137 182 K HN 0.559 nan 8.250 nan 0.000 0.424 183 T N 2.957 117.294 114.554 -0.362 0.000 2.928 183 T HA -0.008 4.342 4.350 -0.001 0.000 0.305 183 T C 0.251 174.901 174.700 -0.083 0.000 1.035 183 T CA -0.029 61.989 62.100 -0.137 0.000 1.145 183 T CB 0.331 69.188 68.868 -0.019 0.000 0.963 183 T HN 0.322 nan 8.240 nan 0.000 0.545 184 E N 2.797 122.989 120.200 -0.014 0.000 2.392 184 E HA 0.124 4.473 4.350 -0.001 0.000 0.259 184 E C 0.243 176.862 176.600 0.032 0.000 1.108 184 E CA -0.144 56.268 56.400 0.021 0.000 0.916 184 E CB 0.616 30.351 29.700 0.059 0.000 0.989 184 E HN 0.572 nan 8.360 nan 0.000 0.432 185 N N -0.293 118.434 118.700 0.044 0.000 2.483 185 N HA 0.420 5.159 4.740 -0.001 0.000 0.269 185 N C 0.429 175.980 175.510 0.069 0.000 1.209 185 N CA 0.372 53.450 53.050 0.046 0.000 0.969 185 N CB 0.797 39.309 38.487 0.042 0.000 1.173 185 N HN 0.615 nan 8.380 nan 0.000 0.475 186 G N -0.489 108.347 108.800 0.060 0.000 2.741 186 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.222 186 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.222 186 G C 0.407 175.357 174.900 0.083 0.000 1.364 186 G CA -0.430 44.715 45.100 0.075 0.000 0.866 186 G HN 0.417 nan 8.290 nan 0.000 0.555 187 L N -0.805 120.479 121.223 0.101 0.000 2.127 187 L HA 0.266 4.606 4.340 -0.001 0.000 0.203 187 L C 1.877 178.822 176.870 0.125 0.000 1.080 187 L CA 0.411 55.309 54.840 0.096 0.000 0.768 187 L CB -0.242 41.873 42.059 0.094 0.000 0.924 187 L HN 0.464 nan 8.230 nan 0.000 0.444 188 F N 2.273 122.237 119.950 0.023 0.000 2.572 188 F HA 0.124 4.651 4.527 -0.001 0.000 0.370 188 F C 0.368 176.186 175.800 0.032 0.000 1.103 188 F CA -0.036 57.979 58.000 0.025 0.000 1.286 188 F CB 0.263 39.277 39.000 0.024 0.000 1.105 188 F HN -0.078 nan 8.300 nan 0.000 0.583 189 R N 4.411 124.369 120.500 -0.904 0.000 2.514 189 R HA 0.235 4.575 4.340 -0.001 0.000 0.296 189 R C -0.562 175.091 176.300 -1.077 0.000 1.012 189 R CA -0.659 54.987 56.100 -0.755 0.000 0.897 189 R CB 1.390 31.503 30.300 -0.311 0.000 1.184 189 R HN 0.816 nan 8.270 nan 0.000 0.440 190 S N 1.570 116.762 115.700 -0.848 0.000 2.608 190 S HA 0.134 4.604 4.470 -0.001 0.000 0.261 190 S C 1.008 175.497 174.600 -0.185 0.000 1.314 190 S CA -0.510 57.461 58.200 -0.381 0.000 0.992 190 S CB 0.892 64.093 63.200 0.000 0.000 0.935 190 S HN 0.437 nan 8.310 nan 0.000 0.564 191 N N 0.150 118.805 118.700 -0.075 0.000 2.104 191 N HA -0.086 4.654 4.740 -0.001 0.000 0.190 191 N C 1.466 176.962 175.510 -0.022 0.000 1.024 191 N CA 0.902 53.927 53.050 -0.042 0.000 0.853 191 N CB -0.992 37.489 38.487 -0.009 0.000 1.008 191 N HN 0.531 nan 8.380 nan 0.000 0.424 192 L N 1.650 122.873 121.223 0.001 0.000 2.017 192 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 192 L C 2.205 179.096 176.870 0.036 0.000 1.073 192 L CA 1.647 56.501 54.840 0.024 0.000 0.745 192 L CB -0.669 41.416 42.059 0.043 0.000 0.894 192 L HN 0.201 nan 8.230 nan 0.000 0.432 193 Q N -1.814 117.998 119.800 0.020 0.000 2.124 193 Q HA -0.182 4.158 4.340 -0.001 0.000 0.202 193 Q C 2.006 178.021 176.000 0.025 0.000 0.977 193 Q CA 2.048 57.877 55.803 0.044 0.000 0.850 193 Q CB -0.242 28.496 28.738 0.001 0.000 0.901 193 Q HN 0.491 nan 8.270 nan 0.000 0.429 194 T N 0.530 115.065 114.554 -0.033 0.000 2.746 194 T HA -0.214 4.136 4.350 -0.001 0.000 0.267 194 T C 1.743 176.432 174.700 -0.019 0.000 1.039 194 T CA 1.536 63.614 62.100 -0.036 0.000 1.142 194 T CB -0.175 68.657 68.868 -0.060 0.000 0.866 194 T HN 0.180 nan 8.240 nan 0.000 0.444 195 Q N 0.906 120.703 119.800 -0.005 0.000 2.079 195 Q HA -0.091 4.249 4.340 -0.001 0.000 0.200 195 Q C 2.272 178.283 176.000 0.018 0.000 0.974 195 Q CA 1.390 57.194 55.803 0.002 0.000 0.840 195 Q CB -0.196 28.546 28.738 0.007 0.000 0.898 195 Q HN 0.392 nan 8.270 nan 0.000 0.430 196 E N 0.333 120.567 120.200 0.058 0.000 2.058 196 E HA -0.241 4.108 4.350 -0.001 0.000 0.194 196 E C 1.857 178.388 176.600 -0.115 0.000 0.997 196 E CA 1.437 57.918 56.400 0.136 0.000 0.801 196 E CB -0.159 29.711 29.700 0.283 0.000 0.746 196 E HN 0.598 nan 8.360 nan 0.000 0.450 197 E N 0.773 120.849 120.200 -0.206 0.000 2.051 197 E HA -0.196 4.154 4.350 -0.001 0.000 0.192 197 E C 1.903 178.372 176.600 -0.218 0.000 0.991 197 E CA 1.122 57.291 56.400 -0.385 0.000 0.799 197 E CB 0.112 29.759 29.700 -0.088 0.000 0.748 197 E HN 0.271 nan 8.360 nan 0.000 0.449 198 E N 0.235 120.378 120.200 -0.095 0.000 2.077 198 E HA -0.186 4.164 4.350 -0.001 0.000 0.193 198 E C 1.689 178.271 176.600 -0.030 0.000 0.989 198 E CA 1.138 57.508 56.400 -0.050 0.000 0.800 198 E CB -0.052 29.632 29.700 -0.028 0.000 0.746 198 E HN 0.287 nan 8.360 nan 0.000 0.452 199 D N 0.319 120.716 120.400 -0.005 0.000 2.310 199 D HA -0.065 4.574 4.640 -0.001 0.000 0.212 199 D C 1.413 177.783 176.300 0.116 0.000 0.965 199 D CA 0.660 54.692 54.000 0.054 0.000 0.879 199 D CB -0.022 40.824 40.800 0.076 0.000 0.921 199 D HN 0.140 nan 8.370 nan 0.000 0.510 200 A N 0.072 122.908 122.820 0.027 0.000 2.238 200 A HA -0.003 4.316 4.320 -0.001 0.000 0.208 200 A C 0.780 178.383 177.584 0.033 0.000 1.177 200 A CA 0.008 52.047 52.037 0.003 0.000 0.804 200 A CB -0.017 18.756 19.000 -0.378 0.000 0.823 200 A HN 0.049 nan 8.150 nan 0.000 0.482 201 N N -0.558 118.162 118.700 0.034 0.000 2.487 201 N HA 0.267 5.006 4.740 -0.001 0.000 0.292 201 N C -0.898 174.675 175.510 0.105 0.000 1.108 201 N CA -0.310 52.779 53.050 0.065 0.000 0.956 201 N CB 0.867 39.376 38.487 0.036 0.000 1.176 201 N HN 0.338 nan 8.380 nan 0.000 0.484 202 Y N 1.734 122.047 120.300 0.023 0.000 2.465 202 Y HA 0.194 4.744 4.550 -0.001 0.000 0.331 202 Y C 0.042 175.955 175.900 0.022 0.000 1.102 202 Y CA 0.024 58.140 58.100 0.026 0.000 1.358 202 Y CB 0.476 38.950 38.460 0.023 0.000 1.213 202 Y HN 0.458 nan 8.280 nan 0.000 0.525 203 R N 7.389 127.573 120.500 -0.527 0.000 2.585 203 R HA 0.338 4.677 4.340 -0.001 0.000 0.288 203 R C -1.892 174.154 176.300 -0.423 0.000 1.194 203 R CA -0.534 55.309 56.100 -0.427 0.000 1.006 203 R CB 0.672 30.875 30.300 -0.162 0.000 1.229 203 R HN 0.866 nan 8.270 nan 0.000 0.412 204 L N 4.360 125.315 121.223 -0.445 0.000 2.466 204 L HA 0.444 4.784 4.340 -0.001 0.000 0.257 204 L C -1.687 175.130 176.870 -0.089 0.000 1.189 204 L CA -1.941 52.780 54.840 -0.198 0.000 0.813 204 L CB 0.434 42.437 42.059 -0.095 0.000 1.118 204 L HN 0.467 nan 8.230 nan 0.000 0.471 205 P HA -0.020 nan 4.420 nan 0.000 0.268 205 P C -0.778 176.501 177.300 -0.035 0.000 1.208 205 P CA -0.256 62.846 63.100 0.004 0.000 0.777 205 P CB 0.287 32.033 31.700 0.075 0.000 0.875 206 E N 1.397 121.579 120.200 -0.031 0.000 2.652 206 E HA 0.022 4.372 4.350 -0.001 0.000 0.255 206 E C 1.577 178.143 176.600 -0.056 0.000 0.952 206 E CA 1.721 58.098 56.400 -0.039 0.000 0.947 206 E CB -0.376 29.310 29.700 -0.024 0.000 0.912 206 E HN 0.801 nan 8.360 nan 0.000 0.489 207 G N 3.322 112.083 108.800 -0.066 0.000 2.205 207 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.261 207 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.261 207 G C 0.324 175.142 174.900 -0.137 0.000 0.980 207 G CA 0.417 45.468 45.100 -0.082 0.000 0.632 207 G HN 0.373 nan 8.290 nan 0.000 0.533 208 K N 1.346 121.633 120.400 -0.187 0.000 2.098 208 K HA 0.562 4.881 4.320 -0.001 0.000 0.261 208 K C 0.505 176.956 176.600 -0.248 0.000 0.987 208 K CA -0.101 55.973 56.287 -0.355 0.000 0.916 208 K CB 1.383 33.518 32.500 -0.609 0.000 1.039 208 K HN 0.790 nan 8.250 nan 0.000 0.455 209 E N -0.424 119.613 120.200 -0.272 0.000 2.343 209 E HA 0.595 4.944 4.350 -0.001 0.000 0.270 209 E C -1.039 175.533 176.600 -0.046 0.000 0.895 209 E CA -1.223 55.109 56.400 -0.112 0.000 0.767 209 E CB 1.555 31.201 29.700 -0.090 0.000 1.248 209 E HN 0.444 nan 8.360 nan 0.000 0.440 210 A N 1.156 124.009 122.820 0.055 0.000 2.540 210 A HA 0.433 4.753 4.320 -0.001 0.000 0.239 210 A C 1.273 178.881 177.584 0.040 0.000 1.061 210 A CA 0.895 52.995 52.037 0.105 0.000 0.758 210 A CB -0.730 18.341 19.000 0.118 0.000 0.991 210 A HN 1.359 nan 8.150 nan 0.000 0.502 211 G N 1.034 109.867 108.800 0.055 0.000 2.232 211 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.226 211 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.226 211 G C 0.250 175.123 174.900 -0.046 0.000 0.996 211 G CA 0.398 45.495 45.100 -0.006 0.000 0.626 211 G HN 1.155 nan 8.290 nan 0.000 0.509 212 E N 1.021 121.205 120.200 -0.027 0.000 2.384 212 E HA 0.391 4.741 4.350 -0.001 0.000 0.266 212 E C 0.077 176.700 176.600 0.038 0.000 1.012 212 E CA -0.352 55.995 56.400 -0.089 0.000 0.901 212 E CB 0.205 29.770 29.700 -0.225 0.000 0.967 212 E HN 0.166 nan 8.360 nan 0.000 0.435 213 I N 4.459 124.969 120.570 -0.100 0.000 2.355 213 I HA 0.202 4.372 4.170 -0.001 0.000 0.288 213 I C -0.124 176.049 176.117 0.093 0.000 0.999 213 I CA -0.248 61.052 61.300 0.000 0.000 1.163 213 I CB 1.159 39.129 38.000 -0.051 0.000 1.316 213 I HN 0.690 nan 8.210 nan 0.000 0.454 214 E N 4.618 124.892 120.200 0.122 0.000 2.158 214 E HA 0.385 4.734 4.350 -0.001 0.000 0.271 214 E C -0.960 175.641 176.600 0.002 0.000 0.911 214 E CA -0.427 56.032 56.400 0.098 0.000 0.767 214 E CB 1.421 31.233 29.700 0.185 0.000 1.120 214 E HN 0.476 nan 8.360 nan 0.000 0.405 215 T N 3.586 118.110 114.554 -0.049 0.000 2.728 215 T HA 0.268 4.618 4.350 -0.001 0.000 0.296 215 T C -0.548 173.947 174.700 -0.341 0.000 0.940 215 T CA -0.409 61.576 62.100 -0.193 0.000 1.013 215 T CB 0.659 69.403 68.868 -0.207 0.000 0.912 215 T HN 0.198 nan 8.240 nan 0.000 0.484 216 V N 5.713 125.422 119.914 -0.342 0.000 2.378 216 V HA 0.267 4.387 4.120 -0.001 0.000 0.288 216 V C -0.005 175.848 176.094 -0.401 0.000 1.016 216 V CA -1.044 61.061 62.300 -0.324 0.000 0.840 216 V CB 0.786 32.530 31.823 -0.132 0.000 0.994 216 V HN 0.824 nan 8.190 nan 0.000 0.431 217 H N 3.009 121.892 119.070 -0.311 0.000 2.690 217 H HA 0.381 4.937 4.556 -0.001 0.000 0.314 217 H C -0.481 174.868 175.328 0.035 0.000 1.069 217 H CA -0.207 55.699 56.048 -0.238 0.000 1.436 217 H CB 1.326 30.709 29.762 -0.633 0.000 1.462 217 H HN 0.611 nan 8.280 nan 0.000 0.511 218 C N 3.189 122.653 119.300 0.273 0.000 2.507 218 C HA 0.206 4.666 4.460 -0.001 0.000 0.319 218 C C 1.702 176.831 174.990 0.232 0.000 1.208 218 C CA -0.926 58.269 59.018 0.294 0.000 1.619 218 C CB 2.016 29.844 27.740 0.147 0.000 2.230 218 C HN 0.828 nan 8.230 nan 0.000 0.492 219 K N 0.434 120.916 120.400 0.138 0.000 2.116 219 K HA 0.037 4.357 4.320 -0.001 0.000 0.203 219 K C -0.580 175.714 176.600 -0.510 0.000 1.052 219 K CA 1.444 57.587 56.287 -0.240 0.000 0.952 219 K CB 0.118 32.485 32.500 -0.223 0.000 0.729 219 K HN 0.657 nan 8.250 nan 0.000 0.446 220 Y N -1.003 119.345 120.300 0.081 0.000 2.534 220 Y HA 0.352 4.901 4.550 -0.001 0.000 0.345 220 Y C -0.769 175.194 175.900 0.105 0.000 1.031 220 Y CA -1.142 57.018 58.100 0.101 0.000 1.022 220 Y CB 2.091 40.620 38.460 0.115 0.000 1.292 220 Y HN -0.413 nan 8.280 nan 0.000 0.459 221 V N 4.186 124.263 119.914 0.272 0.000 2.709 221 V HA 0.512 4.632 4.120 -0.001 0.000 0.308 221 V C -0.770 175.463 176.094 0.232 0.000 1.062 221 V CA -0.855 61.561 62.300 0.193 0.000 0.901 221 V CB 2.134 34.031 31.823 0.123 0.000 1.003 221 V HN 0.557 nan 8.190 nan 0.000 0.425 222 I N 3.451 124.122 120.570 0.168 0.000 2.382 222 I HA 0.493 4.662 4.170 -0.001 0.000 0.285 222 I C 0.810 176.989 176.117 0.104 0.000 1.007 222 I CA -0.432 60.958 61.300 0.149 0.000 1.142 222 I CB 1.779 39.813 38.000 0.058 0.000 1.289 222 I HN 0.738 nan 8.210 nan 0.000 0.453 223 G N 4.893 113.759 108.800 0.110 0.000 2.394 223 G HA2 0.302 4.262 3.960 -0.001 0.000 0.298 223 G HA3 0.302 4.262 3.960 -0.001 0.000 0.298 223 G C -0.008 174.924 174.900 0.052 0.000 1.087 223 G CA -0.152 45.000 45.100 0.086 0.000 1.035 223 G HN 0.798 nan 8.290 nan 0.000 0.420 224 C N 3.144 122.469 119.300 0.041 0.000 2.624 224 C HA 0.216 4.676 4.460 -0.001 0.000 0.263 224 C C 0.785 175.788 174.990 0.021 0.000 1.587 224 C CA -1.019 58.012 59.018 0.021 0.000 1.718 224 C CB -0.586 27.166 27.740 0.020 0.000 3.050 224 C HN 0.821 nan 8.230 nan 0.000 0.517 225 D N 0.011 120.431 120.400 0.034 0.000 2.395 225 D HA 0.367 5.007 4.640 -0.001 0.000 0.226 225 D C 0.985 177.311 176.300 0.043 0.000 1.146 225 D CA 0.489 54.518 54.000 0.048 0.000 0.830 225 D CB 0.009 40.861 40.800 0.087 0.000 0.958 225 D HN 0.546 nan 8.370 nan 0.000 0.501 226 G N -0.360 108.444 108.800 0.006 0.000 2.760 226 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.246 226 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.246 226 G C 0.929 175.791 174.900 -0.065 0.000 1.359 226 G CA -0.179 44.910 45.100 -0.018 0.000 0.861 226 G HN 0.468 nan 8.290 nan 0.000 0.541 227 G N -1.544 107.172 108.800 -0.140 0.000 2.475 227 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.220 227 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.220 227 G C 1.029 175.707 174.900 -0.369 0.000 1.125 227 G CA 1.711 46.636 45.100 -0.292 0.000 0.755 227 G HN 0.894 nan 8.290 nan 0.000 0.565 228 H N -0.108 118.983 119.070 0.035 0.000 2.507 228 H HA 0.264 4.820 4.556 -0.001 0.000 0.294 228 H C 1.026 176.392 175.328 0.063 0.000 1.064 228 H CA -0.106 55.970 56.048 0.048 0.000 1.138 228 H CB -0.071 29.726 29.762 0.058 0.000 1.515 228 H HN 0.242 nan 8.280 nan 0.000 0.547 229 S N 1.066 116.827 115.700 0.101 0.000 4.004 229 S HA -0.210 4.259 4.470 -0.001 0.000 0.480 229 S C 1.252 175.937 174.600 0.142 0.000 1.098 229 S CA 0.040 58.304 58.200 0.106 0.000 1.033 229 S CB -0.194 63.026 63.200 0.033 0.000 0.714 229 S HN 0.648 nan 8.310 nan 0.000 0.501 230 W N 5.849 127.152 121.300 0.006 0.000 2.388 230 W HA -0.082 4.578 4.660 -0.001 0.000 0.294 230 W C 1.623 178.118 176.519 -0.039 0.000 1.212 230 W CA 1.338 58.677 57.345 -0.010 0.000 1.271 230 W CB -0.386 29.068 29.460 -0.011 0.000 1.126 230 W HN 0.599 nan 8.180 nan 0.000 0.535 231 V N 1.587 121.632 119.914 0.219 0.000 2.261 231 V HA -0.337 3.782 4.120 -0.001 0.000 0.246 231 V C 2.622 178.576 176.094 -0.234 0.000 1.047 231 V CA 2.407 64.703 62.300 -0.006 0.000 1.015 231 V CB -1.205 30.689 31.823 0.118 0.000 0.642 231 V HN 0.255 nan 8.190 nan 0.000 0.446 232 R N 0.174 120.593 120.500 -0.136 0.000 2.096 232 R HA -0.210 4.130 4.340 -0.001 0.000 0.240 232 R C 2.535 178.685 176.300 -0.251 0.000 1.139 232 R CA 1.994 57.993 56.100 -0.168 0.000 0.952 232 R CB -0.261 30.020 30.300 -0.032 0.000 0.854 232 R HN 0.430 nan 8.270 nan 0.000 0.436 233 R N -0.659 119.710 120.500 -0.219 0.000 2.096 233 R HA -0.074 4.265 4.340 -0.001 0.000 0.235 233 R C 2.258 178.336 176.300 -0.371 0.000 1.127 233 R CA 1.979 57.939 56.100 -0.233 0.000 0.968 233 R CB -0.309 29.882 30.300 -0.182 0.000 0.861 233 R HN 0.309 nan 8.270 nan 0.000 0.440 234 T N 1.406 115.605 114.554 -0.592 0.000 2.867 234 T HA -0.028 4.321 4.350 -0.001 0.000 0.268 234 T C 1.751 176.162 174.700 -0.482 0.000 1.057 234 T CA 0.841 62.545 62.100 -0.659 0.000 1.136 234 T CB -0.018 68.183 68.868 -1.112 0.000 0.874 234 T HN 0.148 nan 8.240 nan 0.000 0.466 235 L N 0.346 121.240 121.223 -0.548 0.000 2.376 235 L HA 0.145 4.485 4.340 -0.001 0.000 0.219 235 L C 1.980 178.515 176.870 -0.558 0.000 1.133 235 L CA 0.674 55.099 54.840 -0.691 0.000 0.816 235 L CB -0.616 40.687 42.059 -1.260 0.000 0.933 235 L HN 0.509 nan 8.230 nan 0.000 0.449 236 G N -0.464 108.126 108.800 -0.350 0.000 2.137 236 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.237 236 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.237 236 G C -0.057 174.934 174.900 0.151 0.000 1.002 236 G CA -0.501 44.542 45.100 -0.094 0.000 0.702 236 G HN 0.105 nan 8.290 nan 0.000 0.515 237 F N 1.982 121.911 119.950 -0.036 0.000 2.404 237 F HA 0.401 4.928 4.527 -0.001 0.000 0.359 237 F C 1.015 176.816 175.800 0.002 0.000 1.134 237 F CA -1.587 56.411 58.000 -0.004 0.000 1.160 237 F CB 0.366 39.374 39.000 0.013 0.000 1.186 237 F HN 0.185 nan 8.300 nan 0.000 0.526 238 E N 2.728 123.041 120.200 0.189 0.000 2.415 238 E HA 0.041 4.391 4.350 -0.001 0.000 0.263 238 E C 0.022 176.685 176.600 0.105 0.000 0.995 238 E CA -0.236 56.231 56.400 0.110 0.000 0.915 238 E CB 0.585 30.331 29.700 0.076 0.000 0.951 238 E HN 0.266 nan 8.360 nan 0.000 0.449 239 M N 4.333 123.984 119.600 0.086 0.000 2.383 239 M HA 0.155 4.635 4.480 -0.001 0.000 0.337 239 M C -0.758 175.586 176.300 0.073 0.000 1.422 239 M CA -0.452 54.896 55.300 0.081 0.000 1.333 239 M CB -0.275 32.363 32.600 0.065 0.000 1.488 239 M HN 0.349 nan 8.290 nan 0.000 0.454 240 I N 3.053 123.669 120.570 0.077 0.000 2.352 240 I HA 0.601 4.771 4.170 -0.001 0.000 0.290 240 I C 0.908 177.069 176.117 0.072 0.000 1.036 240 I CA 0.099 61.438 61.300 0.065 0.000 1.336 240 I CB 0.006 38.039 38.000 0.055 0.000 1.407 240 I HN 0.745 nan 8.210 nan 0.000 0.497 241 G N 6.789 115.629 108.800 0.068 0.000 2.399 241 G HA2 0.341 4.300 3.960 -0.001 0.000 0.256 241 G HA3 0.341 4.300 3.960 -0.001 0.000 0.256 241 G C -1.459 173.486 174.900 0.076 0.000 1.236 241 G CA -0.421 44.728 45.100 0.082 0.000 0.914 241 G HN 0.605 nan 8.290 nan 0.000 0.482 242 E N -0.464 119.789 120.200 0.087 0.000 2.413 242 E HA 0.554 4.904 4.350 -0.001 0.000 0.277 242 E C -1.581 175.054 176.600 0.058 0.000 0.958 242 E CA -0.830 55.611 56.400 0.067 0.000 0.779 242 E CB 2.026 31.773 29.700 0.077 0.000 1.278 242 E HN 0.591 nan 8.360 nan 0.000 0.456 243 Q N 1.621 121.441 119.800 0.032 0.000 2.325 243 Q HA 0.323 4.663 4.340 -0.001 0.000 0.270 243 Q C -0.409 175.602 176.000 0.017 0.000 1.020 243 Q CA -0.453 55.366 55.803 0.027 0.000 0.785 243 Q CB 1.585 30.312 28.738 -0.018 0.000 1.259 243 Q HN 0.788 nan 8.270 nan 0.000 0.452 244 T N 0.194 114.775 114.554 0.045 0.000 2.689 244 T HA 0.145 4.495 4.350 -0.001 0.000 0.308 244 T C 0.435 175.152 174.700 0.028 0.000 1.021 244 T CA -0.233 61.865 62.100 -0.004 0.000 0.973 244 T CB 0.447 69.314 68.868 -0.001 0.000 1.113 244 T HN 0.509 nan 8.240 nan 0.000 0.522 245 D N -0.922 119.413 120.400 -0.108 0.000 2.349 245 D HA 0.141 4.780 4.640 -0.001 0.000 0.214 245 D C -0.418 175.883 176.300 0.002 0.000 1.063 245 D CA 0.121 54.112 54.000 -0.015 0.000 0.847 245 D CB -0.261 40.479 40.800 -0.099 0.000 0.933 245 D HN 0.481 nan 8.370 nan 0.000 0.513 246 Y N 0.800 121.169 120.300 0.114 0.000 2.465 246 Y HA 0.219 4.768 4.550 -0.001 0.000 0.331 246 Y C 0.904 176.809 175.900 0.009 0.000 1.102 246 Y CA -0.067 58.076 58.100 0.071 0.000 1.358 246 Y CB 0.347 38.905 38.460 0.163 0.000 1.213 246 Y HN -0.214 nan 8.280 nan 0.000 0.525 247 I N 3.190 123.762 120.570 0.003 0.000 2.465 247 I HA 0.330 4.500 4.170 -0.001 0.000 0.291 247 I C -1.034 174.887 176.117 -0.326 0.000 1.014 247 I CA -0.745 60.373 61.300 -0.302 0.000 1.093 247 I CB 1.518 39.182 38.000 -0.559 0.000 1.267 247 I HN 0.489 nan 8.210 nan 0.000 0.431 248 W N 3.244 124.069 121.300 -0.791 0.000 2.882 248 W HA 0.738 5.398 4.660 -0.001 0.000 0.345 248 W C 0.255 176.333 176.519 -0.735 0.000 1.125 248 W CA -0.615 56.280 57.345 -0.749 0.000 1.167 248 W CB 1.860 30.807 29.460 -0.854 0.000 1.431 248 W HN 0.443 nan 8.180 nan 0.000 0.543 249 G N 0.180 108.886 108.800 -0.157 0.000 2.511 249 G HA2 0.731 4.690 3.960 -0.001 0.000 0.318 249 G HA3 0.731 4.690 3.960 -0.001 0.000 0.318 249 G C -1.944 173.025 174.900 0.115 0.000 1.210 249 G CA -0.829 44.233 45.100 -0.062 0.000 0.969 249 G HN 0.292 nan 8.290 nan 0.000 0.484 250 V N 0.471 120.433 119.914 0.080 0.000 2.686 250 V HA 0.539 4.658 4.120 -0.001 0.000 0.306 250 V C -0.542 175.599 176.094 0.078 0.000 1.065 250 V CA -0.569 61.757 62.300 0.042 0.000 0.894 250 V CB 1.641 33.456 31.823 -0.014 0.000 1.004 250 V HN 0.612 nan 8.190 nan 0.000 0.424 251 L N 3.323 124.646 121.223 0.167 0.000 2.381 251 L HA 0.626 4.966 4.340 -0.001 0.000 0.274 251 L C -1.191 175.852 176.870 0.287 0.000 0.988 251 L CA -0.564 54.420 54.840 0.239 0.000 0.824 251 L CB 2.201 44.440 42.059 0.301 0.000 1.263 251 L HN 0.505 nan 8.230 nan 0.000 0.410 252 D N 3.314 123.859 120.400 0.241 0.000 2.412 252 D HA 0.664 5.304 4.640 -0.001 0.000 0.224 252 D C -0.455 175.959 176.300 0.190 0.000 1.093 252 D CA 0.216 54.345 54.000 0.215 0.000 0.850 252 D CB 1.869 42.789 40.800 0.200 0.000 1.046 252 D HN 0.606 nan 8.370 nan 0.000 0.507 253 A N 1.721 124.695 122.820 0.257 0.000 2.556 253 A HA 0.596 4.916 4.320 -0.001 0.000 0.294 253 A C -0.968 176.742 177.584 0.210 0.000 1.091 253 A CA -0.714 51.454 52.037 0.218 0.000 0.704 253 A CB 1.396 20.537 19.000 0.235 0.000 1.300 253 A HN 0.235 nan 8.150 nan 0.000 0.406 254 V N 3.659 123.646 119.914 0.123 0.000 2.389 254 V HA 0.363 4.483 4.120 -0.001 0.000 0.264 254 V C -1.947 174.184 176.094 0.062 0.000 1.049 254 V CA -0.985 61.375 62.300 0.101 0.000 0.932 254 V CB 0.729 32.587 31.823 0.058 0.000 1.011 254 V HN 0.777 nan 8.190 nan 0.000 0.475 255 P HA 0.454 nan 4.420 nan 0.000 0.279 255 P C -0.944 176.310 177.300 -0.076 0.000 1.252 255 P CA -0.651 62.437 63.100 -0.020 0.000 0.811 255 P CB 1.777 33.618 31.700 0.234 0.000 1.035 256 A N 1.020 123.715 122.820 -0.209 0.000 2.360 256 A HA 0.592 4.911 4.320 -0.001 0.000 0.309 256 A C -0.278 177.205 177.584 -0.169 0.000 1.311 256 A CA -0.481 51.470 52.037 -0.143 0.000 0.805 256 A CB 0.203 19.116 19.000 -0.144 0.000 1.144 256 A HN 0.511 nan 8.150 nan 0.000 0.486 257 S N 1.528 117.184 115.700 -0.072 0.000 2.537 257 S HA 0.439 4.908 4.470 -0.001 0.000 0.271 257 S C -0.142 174.481 174.600 0.039 0.000 1.148 257 S CA -0.331 57.842 58.200 -0.046 0.000 0.868 257 S CB 0.994 64.149 63.200 -0.076 0.000 1.115 257 S HN 0.865 nan 8.310 nan 0.000 0.461 258 N N 2.442 121.195 118.700 0.090 0.000 2.268 258 N HA 0.103 4.843 4.740 -0.001 0.000 0.204 258 N C -0.216 175.392 175.510 0.164 0.000 1.124 258 N CA -0.311 52.819 53.050 0.134 0.000 0.838 258 N CB -0.371 38.210 38.487 0.157 0.000 0.994 258 N HN 0.427 nan 8.380 nan 0.000 0.489 259 F N 2.557 122.460 119.950 -0.079 0.000 2.571 259 F HA 0.241 4.768 4.527 -0.001 0.000 0.384 259 F C -1.340 174.344 175.800 -0.194 0.000 1.058 259 F CA -2.057 55.748 58.000 -0.326 0.000 1.200 259 F CB 0.886 39.720 39.000 -0.276 0.000 1.077 259 F HN -0.072 nan 8.300 nan 0.000 0.558 260 P HA -0.143 nan 4.420 nan 0.000 0.218 260 P C 0.169 177.301 177.300 -0.280 0.000 1.149 260 P CA 1.480 64.358 63.100 -0.370 0.000 0.817 260 P CB 0.225 31.734 31.700 -0.317 0.000 0.785 261 D N -1.278 118.822 120.400 -0.499 0.000 2.615 261 D HA 0.104 4.744 4.640 -0.001 0.000 0.236 261 D C 1.262 177.716 176.300 0.256 0.000 1.233 261 D CA -0.218 53.749 54.000 -0.056 0.000 0.829 261 D CB -0.018 40.825 40.800 0.072 0.000 1.024 261 D HN 0.065 nan 8.370 nan 0.000 0.490 262 I N 0.863 121.630 120.570 0.328 0.000 2.454 262 I HA -0.197 3.972 4.170 -0.001 0.000 0.254 262 I C 1.747 178.015 176.117 0.252 0.000 1.156 262 I CA 1.273 62.826 61.300 0.422 0.000 1.433 262 I CB 0.193 38.400 38.000 0.345 0.000 1.082 262 I HN -0.168 nan 8.210 nan 0.000 0.432 263 R N -0.385 120.218 120.500 0.172 0.000 2.359 263 R HA 0.296 4.635 4.340 -0.001 0.000 0.231 263 R C 0.639 177.007 176.300 0.113 0.000 0.913 263 R CA 0.062 56.235 56.100 0.121 0.000 1.075 263 R CB -0.225 30.131 30.300 0.093 0.000 1.087 263 R HN 0.253 nan 8.270 nan 0.000 0.515 264 S N 0.464 116.251 115.700 0.144 0.000 2.651 264 S HA 0.374 4.844 4.470 -0.001 0.000 0.291 264 S C -0.010 174.687 174.600 0.163 0.000 1.141 264 S CA -0.690 57.593 58.200 0.138 0.000 1.027 264 S CB 1.662 64.950 63.200 0.148 0.000 1.043 264 S HN 0.219 nan 8.310 nan 0.000 0.530 265 R N 1.462 122.050 120.500 0.146 0.000 2.590 265 R HA 0.395 4.734 4.340 -0.001 0.000 0.274 265 R C -1.188 175.253 176.300 0.235 0.000 1.061 265 R CA 0.132 56.342 56.100 0.184 0.000 1.081 265 R CB -0.262 30.140 30.300 0.171 0.000 0.984 265 R HN 0.685 nan 8.270 nan 0.000 0.448 266 C N 2.519 122.002 119.300 0.306 0.000 2.994 266 C HA 0.752 5.211 4.460 -0.001 0.000 0.305 266 C C -0.743 174.528 174.990 0.468 0.000 1.251 266 C CA -0.824 58.419 59.018 0.376 0.000 1.478 266 C CB 1.833 29.813 27.740 0.399 0.000 1.922 266 C HN 0.906 nan 8.230 nan 0.000 0.472 267 A N 1.947 125.080 122.820 0.522 0.000 2.343 267 A HA 0.914 5.233 4.320 -0.001 0.000 0.316 267 A C -1.068 176.776 177.584 0.433 0.000 1.104 267 A CA -0.304 52.090 52.037 0.596 0.000 0.768 267 A CB 0.447 19.853 19.000 0.677 0.000 1.213 267 A HN 0.797 nan 8.150 nan 0.000 0.456 268 I N 2.369 123.096 120.570 0.263 0.000 2.439 268 I HA 0.276 4.445 4.170 -0.001 0.000 0.285 268 I C -1.021 175.091 176.117 -0.008 0.000 1.021 268 I CA -0.471 60.915 61.300 0.144 0.000 1.091 268 I CB 1.871 39.805 38.000 -0.110 0.000 1.242 268 I HN 0.705 nan 8.210 nan 0.000 0.439 269 H N 3.734 122.816 119.070 0.020 0.000 2.556 269 H HA 0.347 4.903 4.556 -0.001 0.000 0.310 269 H C 0.196 175.512 175.328 -0.019 0.000 1.057 269 H CA -0.203 55.810 56.048 -0.059 0.000 1.264 269 H CB 1.263 30.953 29.762 -0.121 0.000 1.404 269 H HN 0.608 nan 8.280 nan 0.000 0.462 270 S N 1.944 117.652 115.700 0.014 0.000 2.645 270 S HA 0.413 4.882 4.470 -0.001 0.000 0.266 270 S C 1.607 176.234 174.600 0.046 0.000 1.258 270 S CA -0.343 57.876 58.200 0.031 0.000 0.990 270 S CB 1.532 64.712 63.200 -0.032 0.000 0.967 270 S HN 0.693 nan 8.310 nan 0.000 0.556 271 A N 0.485 123.342 122.820 0.062 0.000 1.902 271 A HA 0.020 4.339 4.320 -0.001 0.000 0.217 271 A C 1.781 179.378 177.584 0.022 0.000 1.181 271 A CA 1.911 53.979 52.037 0.052 0.000 0.623 271 A CB -0.779 18.263 19.000 0.070 0.000 0.818 271 A HN 0.878 nan 8.150 nan 0.000 0.443 272 E N -2.573 117.629 120.200 0.005 0.000 2.703 272 E HA 0.218 4.568 4.350 -0.001 0.000 0.214 272 E C 0.675 177.250 176.600 -0.042 0.000 0.944 272 E CA 0.433 56.825 56.400 -0.013 0.000 1.299 272 E CB 0.708 30.405 29.700 -0.005 0.000 1.189 272 E HN 0.322 nan 8.360 nan 0.000 0.597 273 S N -0.327 115.334 115.700 -0.065 0.000 2.559 273 S HA 0.571 5.041 4.470 -0.001 0.000 0.226 273 S C 0.570 175.063 174.600 -0.178 0.000 1.000 273 S CA 0.123 58.259 58.200 -0.107 0.000 0.948 273 S CB 1.259 64.401 63.200 -0.097 0.000 0.870 273 S HN 0.428 nan 8.310 nan 0.000 0.497 274 G N 1.192 109.877 108.800 -0.191 0.000 2.498 274 G HA2 -0.030 3.930 3.960 -0.001 0.000 0.651 274 G HA3 -0.030 3.930 3.960 -0.001 0.000 0.651 274 G C -0.712 173.973 174.900 -0.358 0.000 1.284 274 G CA -0.750 44.162 45.100 -0.313 0.000 0.950 274 G HN 0.262 nan 8.290 nan 0.000 0.511 275 S N -0.991 114.395 115.700 -0.522 0.000 2.621 275 S HA 0.857 5.327 4.470 -0.001 0.000 0.302 275 S C -0.022 174.324 174.600 -0.423 0.000 1.093 275 S CA -0.532 57.408 58.200 -0.434 0.000 1.017 275 S CB 1.589 64.588 63.200 -0.335 0.000 1.077 275 S HN 0.681 nan 8.310 nan 0.000 0.517 276 I N 1.712 122.183 120.570 -0.165 0.000 2.730 276 I HA 0.457 4.627 4.170 -0.001 0.000 0.298 276 I C -0.902 175.360 176.117 0.241 0.000 1.089 276 I CA -0.514 60.765 61.300 -0.036 0.000 1.041 276 I CB 2.044 39.843 38.000 -0.335 0.000 1.235 276 I HN 0.466 nan 8.210 nan 0.000 0.423 277 M N 6.799 126.594 119.600 0.324 0.000 2.253 277 M HA 0.573 5.052 4.480 -0.001 0.000 0.314 277 M C -1.612 174.884 176.300 0.326 0.000 1.019 277 M CA -0.445 55.062 55.300 0.346 0.000 0.932 277 M CB 1.478 34.149 32.600 0.118 0.000 1.606 277 M HN 0.397 nan 8.290 nan 0.000 0.430 278 I N 5.690 126.419 120.570 0.265 0.000 2.353 278 I HA 0.362 4.531 4.170 -0.001 0.000 0.293 278 I C -0.571 175.620 176.117 0.124 0.000 0.992 278 I CA -0.668 60.698 61.300 0.110 0.000 1.268 278 I CB 1.358 39.443 38.000 0.143 0.000 1.387 278 I HN 0.581 nan 8.210 nan 0.000 0.478 279 I N 8.318 128.898 120.570 0.018 0.000 2.495 279 I HA 0.277 4.446 4.170 -0.001 0.000 0.277 279 I C -2.337 173.774 176.117 -0.011 0.000 1.045 279 I CA -2.247 59.104 61.300 0.085 0.000 1.135 279 I CB 1.264 39.380 38.000 0.194 0.000 1.241 279 I HN 0.204 nan 8.210 nan 0.000 0.469 280 P HA 0.265 nan 4.420 nan 0.000 0.271 280 P C -0.182 177.138 177.300 0.034 0.000 1.216 280 P CA -0.228 62.878 63.100 0.010 0.000 0.771 280 P CB 1.538 33.269 31.700 0.051 0.000 0.864 281 R N 1.324 121.843 120.500 0.032 0.000 3.055 281 R HA 0.298 4.638 4.340 -0.001 0.000 0.231 281 R C 0.727 177.060 176.300 0.055 0.000 1.443 281 R CA -0.759 55.370 56.100 0.048 0.000 1.063 281 R CB 0.616 30.947 30.300 0.051 0.000 1.514 281 R HN 0.553 nan 8.270 nan 0.000 0.510 282 E N 1.279 121.514 120.200 0.058 0.000 2.391 282 E HA -0.031 4.318 4.350 -0.001 0.000 0.255 282 E C -0.432 176.207 176.600 0.066 0.000 1.187 282 E CA -0.275 56.159 56.400 0.056 0.000 0.941 282 E CB 0.159 29.888 29.700 0.048 0.000 1.010 282 E HN 0.414 nan 8.360 nan 0.000 0.458 283 N N 2.209 120.945 118.700 0.060 0.000 2.707 283 N HA -0.244 4.496 4.740 -0.001 0.000 0.253 283 N C -0.597 174.952 175.510 0.065 0.000 0.998 283 N CA 1.094 54.181 53.050 0.062 0.000 0.751 283 N CB -1.349 37.181 38.487 0.072 0.000 0.920 283 N HN 0.663 nan 8.380 nan 0.000 0.539 284 N N -2.828 115.909 118.700 0.062 0.000 2.900 284 N HA -0.235 4.505 4.740 -0.001 0.000 0.240 284 N C 0.034 175.592 175.510 0.079 0.000 0.953 284 N CA 1.055 54.145 53.050 0.066 0.000 0.950 284 N CB -1.118 37.405 38.487 0.059 0.000 1.102 284 N HN 0.524 nan 8.380 nan 0.000 0.593 285 L N 0.991 122.262 121.223 0.080 0.000 2.436 285 L HA 0.398 4.738 4.340 -0.001 0.000 0.265 285 L C 0.612 177.524 176.870 0.071 0.000 1.168 285 L CA -0.196 54.699 54.840 0.091 0.000 0.815 285 L CB 1.028 43.141 42.059 0.090 0.000 1.109 285 L HN -0.189 nan 8.230 nan 0.000 0.462 286 V N 2.308 122.264 119.914 0.070 0.000 2.760 286 V HA 0.406 4.526 4.120 -0.001 0.000 0.309 286 V C -0.331 175.648 176.094 -0.191 0.000 1.077 286 V CA -0.776 61.463 62.300 -0.102 0.000 0.910 286 V CB 2.010 33.711 31.823 -0.203 0.000 1.008 286 V HN 0.713 nan 8.190 nan 0.000 0.424 287 R N 3.223 123.572 120.500 -0.251 0.000 2.312 287 R HA 0.629 4.969 4.340 -0.001 0.000 0.311 287 R C -1.801 174.272 176.300 -0.379 0.000 1.004 287 R CA -0.282 55.715 56.100 -0.171 0.000 0.902 287 R CB 0.823 31.067 30.300 -0.093 0.000 1.073 287 R HN 0.530 nan 8.270 nan 0.000 0.457 288 F N 4.362 124.333 119.950 0.035 0.000 2.460 288 F HA 0.336 4.863 4.527 -0.001 0.000 0.341 288 F C -0.881 174.909 175.800 -0.017 0.000 1.130 288 F CA -0.685 57.353 58.000 0.064 0.000 0.962 288 F CB 1.263 40.320 39.000 0.095 0.000 1.171 288 F HN 0.433 nan 8.300 nan 0.000 0.436 289 Y N 2.786 123.259 120.300 0.288 0.000 2.383 289 Y HA 0.540 5.090 4.550 -0.001 0.000 0.344 289 Y C -0.191 175.922 175.900 0.355 0.000 0.986 289 Y CA -0.794 57.510 58.100 0.341 0.000 1.175 289 Y CB 1.119 39.718 38.460 0.231 0.000 1.152 289 Y HN 0.213 nan 8.280 nan 0.000 0.511 290 V N 4.358 124.474 119.914 0.336 0.000 2.407 290 V HA 0.230 4.349 4.120 -0.001 0.000 0.291 290 V C -0.253 175.592 176.094 -0.414 0.000 1.018 290 V CA -1.235 61.018 62.300 -0.078 0.000 0.842 290 V CB 1.444 33.196 31.823 -0.118 0.000 0.996 290 V HN 0.697 nan 8.190 nan 0.000 0.426 291 Q N 4.077 123.220 119.800 -1.095 0.000 2.337 291 Q HA 0.464 4.803 4.340 -0.001 0.000 0.270 291 Q C -1.200 174.349 176.000 -0.752 0.000 1.002 291 Q CA -0.142 54.732 55.803 -1.548 0.000 0.888 291 Q CB 0.839 28.462 28.738 -1.858 0.000 1.222 291 Q HN 0.686 nan 8.270 nan 0.000 0.400 292 L N 3.418 124.281 121.223 -0.600 0.000 2.325 292 L HA 0.411 4.751 4.340 -0.001 0.000 0.278 292 L C -0.086 176.627 176.870 -0.262 0.000 1.023 292 L CA -0.886 53.737 54.840 -0.362 0.000 0.811 292 L CB 1.647 43.496 42.059 -0.351 0.000 1.249 292 L HN 0.609 nan 8.230 nan 0.000 0.431 293 Q N 1.553 121.252 119.800 -0.168 0.000 2.222 293 Q HA 0.644 4.984 4.340 -0.001 0.000 0.252 293 Q C -0.384 175.593 176.000 -0.038 0.000 0.926 293 Q CA -0.534 55.210 55.803 -0.099 0.000 0.899 293 Q CB 2.467 31.154 28.738 -0.085 0.000 1.250 293 Q HN 0.781 nan 8.270 nan 0.000 0.441 306 K N 2.331 122.507 120.400 -0.373 0.000 2.067 306 K HA 0.524 4.843 4.320 -0.001 0.000 0.399 306 K C -0.878 175.598 176.600 -0.206 0.000 1.744 306 K CA -0.823 55.328 56.287 -0.225 0.000 1.199 306 K CB -1.250 31.199 32.500 -0.085 0.000 1.399 306 K HN 0.898 nan 8.250 nan 0.000 0.458 307 F N 2.528 122.525 119.950 0.079 0.000 2.543 307 F HA 0.424 4.951 4.527 -0.001 0.000 0.375 307 F C 1.691 177.625 175.800 0.223 0.000 1.075 307 F CA 0.973 59.041 58.000 0.114 0.000 1.225 307 F CB 1.405 40.467 39.000 0.103 0.000 1.099 307 F HN 0.656 nan 8.300 nan 0.000 0.561 308 T N 0.558 115.285 114.554 0.288 0.000 2.926 308 T HA 0.399 4.749 4.350 -0.001 0.000 0.289 308 T C -2.251 172.306 174.700 -0.237 0.000 1.054 308 T CA -2.274 59.846 62.100 0.033 0.000 1.015 308 T CB 2.096 70.938 68.868 -0.044 0.000 1.167 308 T HN 0.117 nan 8.240 nan 0.000 0.526 309 P HA -0.056 nan 4.420 nan 0.000 0.216 309 P C 1.126 178.293 177.300 -0.221 0.000 1.150 309 P CA 1.105 63.816 63.100 -0.649 0.000 0.837 309 P CB 0.028 31.334 31.700 -0.656 0.000 0.786 310 E N -0.672 119.429 120.200 -0.164 0.000 2.085 310 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 310 E C 2.030 178.612 176.600 -0.031 0.000 0.994 310 E CA 0.976 57.331 56.400 -0.075 0.000 0.801 310 E CB -1.415 28.249 29.700 -0.061 0.000 0.743 310 E HN 0.046 nan 8.360 nan 0.000 0.453 311 V N 0.113 120.021 119.914 -0.009 0.000 2.427 311 V HA -0.197 3.922 4.120 -0.001 0.000 0.248 311 V C 2.150 178.253 176.094 0.015 0.000 1.051 311 V CA 1.232 63.549 62.300 0.028 0.000 1.048 311 V CB -0.249 31.634 31.823 0.099 0.000 0.666 311 V HN 0.144 nan 8.190 nan 0.000 0.456 312 V N -0.084 119.841 119.914 0.019 0.000 2.343 312 V HA -0.248 3.872 4.120 -0.001 0.000 0.247 312 V C 2.165 178.256 176.094 -0.006 0.000 1.051 312 V CA 2.074 64.377 62.300 0.005 0.000 1.036 312 V CB -0.520 31.343 31.823 0.067 0.000 0.654 312 V HN 0.443 nan 8.190 nan 0.000 0.451 313 I N 0.525 121.111 120.570 0.027 0.000 2.286 313 I HA -0.235 3.935 4.170 -0.001 0.000 0.248 313 I C 2.652 178.811 176.117 0.071 0.000 1.115 313 I CA 1.425 62.787 61.300 0.102 0.000 1.392 313 I CB -0.536 37.519 38.000 0.091 0.000 1.065 313 I HN 0.289 nan 8.210 nan 0.000 0.418 314 A N 0.890 123.724 122.820 0.023 0.000 1.877 314 A HA -0.239 4.080 4.320 -0.001 0.000 0.216 314 A C 2.031 179.604 177.584 -0.018 0.000 1.186 314 A CA 2.281 54.324 52.037 0.010 0.000 0.620 314 A CB -0.897 18.102 19.000 -0.002 0.000 0.822 314 A HN 0.417 nan 8.150 nan 0.000 0.443 315 N N 0.073 118.741 118.700 -0.054 0.000 2.166 315 N HA -0.049 4.690 4.740 -0.001 0.000 0.186 315 N C 1.830 177.252 175.510 -0.146 0.000 1.019 315 N CA 1.468 54.453 53.050 -0.109 0.000 0.856 315 N CB -0.292 38.104 38.487 -0.152 0.000 0.993 315 N HN 0.479 nan 8.380 nan 0.000 0.426 316 A N 0.970 123.695 122.820 -0.159 0.000 1.902 316 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 316 A C 1.981 179.512 177.584 -0.087 0.000 1.181 316 A CA 1.403 53.275 52.037 -0.275 0.000 0.623 316 A CB -0.365 18.325 19.000 -0.517 0.000 0.818 316 A HN 0.197 nan 8.150 nan 0.000 0.443 317 K N -0.167 120.267 120.400 0.056 0.000 2.103 317 K HA -0.144 4.175 4.320 -0.001 0.000 0.207 317 K C 2.053 178.726 176.600 0.122 0.000 1.048 317 K CA 1.706 58.091 56.287 0.164 0.000 0.930 317 K CB -0.137 32.449 32.500 0.143 0.000 0.716 317 K HN 0.446 nan 8.250 nan 0.000 0.444 318 K N 0.445 120.861 120.400 0.026 0.000 2.097 318 K HA -0.052 4.267 4.320 -0.001 0.000 0.205 318 K C 2.037 178.639 176.600 0.004 0.000 1.050 318 K CA 1.090 57.377 56.287 0.001 0.000 0.938 318 K CB -0.027 32.440 32.500 -0.054 0.000 0.718 318 K HN 0.113 nan 8.250 nan 0.000 0.442 319 I N -0.077 120.438 120.570 -0.092 0.000 2.439 319 I HA -0.198 3.971 4.170 -0.001 0.000 0.251 319 I C 1.671 177.695 176.117 -0.155 0.000 1.139 319 I CA 0.982 62.174 61.300 -0.181 0.000 1.438 319 I CB -0.074 37.709 38.000 -0.363 0.000 1.085 319 I HN 0.013 nan 8.210 nan 0.000 0.427 320 F N 0.106 120.008 119.950 -0.080 0.000 2.407 320 F HA -0.067 4.459 4.527 -0.001 0.000 0.299 320 F C 1.439 177.335 175.800 0.160 0.000 1.097 320 F CA 0.348 58.330 58.000 -0.030 0.000 1.422 320 F CB -1.015 37.933 39.000 -0.087 0.000 1.067 320 F HN 0.060 nan 8.300 nan 0.000 0.539 321 H N 2.743 121.937 119.070 0.207 0.000 3.173 321 H HA -0.047 4.509 4.556 -0.001 0.000 0.311 321 H C -1.694 173.698 175.328 0.106 0.000 0.972 321 H CA -0.781 55.341 56.048 0.122 0.000 1.384 321 H CB 0.686 30.479 29.762 0.051 0.000 1.349 321 H HN -0.113 nan 8.280 nan 0.000 0.582 322 P HA 0.017 nan 4.420 nan 0.000 0.261 322 P C -0.763 176.331 177.300 -0.344 0.000 1.352 322 P CA -0.006 62.583 63.100 -0.852 0.000 0.891 322 P CB 0.011 31.146 31.700 -0.942 0.000 1.383 323 Y N 1.358 121.696 120.300 0.063 0.000 2.426 323 Y HA 0.168 4.717 4.550 -0.001 0.000 0.344 323 Y C 1.977 177.926 175.900 0.082 0.000 1.256 323 Y CA 0.178 58.354 58.100 0.126 0.000 1.451 323 Y CB -0.054 38.594 38.460 0.313 0.000 1.342 323 Y HN -0.121 nan 8.280 nan 0.000 0.600 324 T N -0.472 114.194 114.554 0.187 0.000 2.874 324 T HA 0.544 4.893 4.350 -0.001 0.000 0.281 324 T C -1.121 173.584 174.700 0.007 0.000 0.994 324 T CA -0.575 61.577 62.100 0.086 0.000 1.015 324 T CB 0.971 69.862 68.868 0.039 0.000 1.028 324 T HN 0.473 nan 8.240 nan 0.000 0.523 325 F N 0.714 120.551 119.950 -0.189 0.000 2.722 325 F HA 0.480 5.006 4.527 -0.001 0.000 0.336 325 F C -1.836 173.847 175.800 -0.196 0.000 1.216 325 F CA -0.750 57.052 58.000 -0.329 0.000 1.065 325 F CB 1.429 40.147 39.000 -0.471 0.000 1.325 325 F HN 0.723 nan 8.300 nan 0.000 0.524 326 D N 4.095 123.970 120.400 -0.875 0.000 2.596 326 D HA 0.490 5.130 4.640 -0.001 0.000 0.234 326 D C -1.409 174.408 176.300 -0.804 0.000 1.181 326 D CA -0.400 53.192 54.000 -0.679 0.000 0.856 326 D CB 3.226 43.839 40.800 -0.313 0.000 1.498 326 D HN 0.243 nan 8.370 nan 0.000 0.446 327 V N 2.151 121.756 119.914 -0.515 0.000 2.347 327 V HA 0.115 4.235 4.120 -0.001 0.000 0.280 327 V C 1.140 177.128 176.094 -0.177 0.000 1.021 327 V CA -0.162 61.938 62.300 -0.334 0.000 0.847 327 V CB 1.494 33.195 31.823 -0.204 0.000 0.990 327 V HN 0.452 nan 8.190 nan 0.000 0.444 328 Q N 2.798 122.524 119.800 -0.123 0.000 2.269 328 Q HA 0.083 4.423 4.340 -0.001 0.000 0.201 328 Q C 0.647 176.630 176.000 -0.029 0.000 0.946 328 Q CA 0.671 56.434 55.803 -0.066 0.000 0.877 328 Q CB 0.621 29.334 28.738 -0.042 0.000 0.963 328 Q HN 0.775 nan 8.270 nan 0.000 0.472 329 Q N 0.200 119.994 119.800 -0.010 0.000 2.403 329 Q HA 0.388 4.728 4.340 -0.001 0.000 0.267 329 Q C -2.246 173.781 176.000 0.045 0.000 0.991 329 Q CA -0.502 55.316 55.803 0.024 0.000 0.906 329 Q CB 1.672 30.431 28.738 0.036 0.000 1.422 329 Q HN 0.111 nan 8.270 nan 0.000 0.400 330 L N 3.503 124.766 121.223 0.067 0.000 2.333 330 L HA 0.484 4.824 4.340 -0.001 0.000 0.280 330 L C -0.713 176.218 176.870 0.103 0.000 1.004 330 L CA 0.192 55.080 54.840 0.080 0.000 0.820 330 L CB 1.696 43.802 42.059 0.079 0.000 1.247 330 L HN 0.775 nan 8.230 nan 0.000 0.416 331 D N 3.064 123.486 120.400 0.036 0.000 2.388 331 D HA 0.148 4.788 4.640 -0.001 0.000 0.208 331 D C -1.036 175.093 176.300 -0.285 0.000 1.035 331 D CA 0.840 54.847 54.000 0.012 0.000 0.875 331 D CB 0.367 41.183 40.800 0.028 0.000 0.984 331 D HN 0.478 nan 8.370 nan 0.000 0.508 332 W N 0.309 121.160 121.300 -0.748 0.000 3.057 332 W HA 0.443 5.103 4.660 -0.001 0.000 0.328 332 W C -2.185 174.021 176.519 -0.522 0.000 1.232 332 W CA -1.352 55.260 57.345 -1.221 0.000 1.187 332 W CB 0.624 29.741 29.460 -0.571 0.000 1.417 332 W HN -0.236 nan 8.180 nan 0.000 0.569 333 F N 2.582 121.680 119.950 -1.421 0.000 2.725 333 F HA 0.727 5.254 4.527 -0.001 0.000 0.309 333 F C -1.177 173.898 175.800 -1.208 0.000 1.132 333 F CA -0.060 57.344 58.000 -0.992 0.000 0.957 333 F CB 1.589 40.371 39.000 -0.362 0.000 1.286 333 F HN 0.517 nan 8.300 nan 0.000 0.440 334 T N 1.769 115.370 114.554 -1.588 0.000 2.711 334 T HA 0.868 5.217 4.350 -0.001 0.000 0.302 334 T C -2.049 172.254 174.700 -0.661 0.000 1.373 334 T CA -0.029 61.343 62.100 -1.215 0.000 1.000 334 T CB 1.292 69.706 68.868 -0.756 0.000 1.483 334 T HN 1.705 nan 8.240 nan 0.000 0.499 335 A N 1.251 123.876 122.820 -0.325 0.000 2.539 335 A HA 0.918 5.238 4.320 -0.001 0.000 0.296 335 A C -1.905 175.697 177.584 0.030 0.000 1.073 335 A CA -0.714 51.213 52.037 -0.184 0.000 0.700 335 A CB 1.213 20.046 19.000 -0.279 0.000 1.296 335 A HN 1.325 nan 8.150 nan 0.000 0.405 336 Y N -1.536 118.711 120.300 -0.088 0.000 2.624 336 Y HA 0.760 5.310 4.550 -0.001 0.000 0.334 336 Y C -0.784 175.099 175.900 -0.028 0.000 1.155 336 Y CA -1.082 57.018 58.100 -0.000 0.000 1.046 336 Y CB 0.531 39.016 38.460 0.041 0.000 1.316 336 Y HN 0.713 nan 8.280 nan 0.000 0.457 337 H N 1.586 120.772 119.070 0.192 0.000 2.482 337 H HA 0.484 5.039 4.556 -0.001 0.000 0.344 337 H C -0.344 175.135 175.328 0.252 0.000 1.151 337 H CA -0.570 55.568 56.048 0.150 0.000 1.300 337 H CB 1.143 30.980 29.762 0.124 0.000 1.494 337 H HN 0.533 nan 8.280 nan 0.000 0.542 338 I N 2.705 123.477 120.570 0.337 0.000 2.396 338 I HA 0.318 4.488 4.170 -0.001 0.000 0.289 338 I C 0.957 177.183 176.117 0.183 0.000 1.056 338 I CA 0.612 62.055 61.300 0.239 0.000 1.365 338 I CB 0.137 38.282 38.000 0.241 0.000 1.407 338 I HN 0.746 nan 8.210 nan 0.000 0.509 339 G N 5.752 114.624 108.800 0.120 0.000 2.576 339 G HA2 0.620 4.580 3.960 -0.001 0.000 0.290 339 G HA3 0.620 4.580 3.960 -0.001 0.000 0.290 339 G C -1.743 173.204 174.900 0.080 0.000 1.442 339 G CA -0.456 44.696 45.100 0.087 0.000 0.792 339 G HN 0.400 nan 8.290 nan 0.000 0.491 340 Q N -0.406 119.451 119.800 0.095 0.000 2.331 340 Q HA 0.746 5.086 4.340 -0.001 0.000 0.272 340 Q C -0.499 175.575 176.000 0.123 0.000 1.062 340 Q CA -0.519 55.362 55.803 0.129 0.000 0.806 340 Q CB 2.992 31.826 28.738 0.160 0.000 1.312 340 Q HN 0.547 nan 8.270 nan 0.000 0.431 341 R N 0.588 121.166 120.500 0.128 0.000 2.668 341 R HA 0.866 5.205 4.340 -0.001 0.000 0.272 341 R C -1.740 174.651 176.300 0.150 0.000 1.019 341 R CA -0.954 55.215 56.100 0.115 0.000 0.894 341 R CB 2.536 32.884 30.300 0.080 0.000 1.228 341 R HN 0.403 nan 8.270 nan 0.000 0.460 342 V N 1.148 121.149 119.914 0.146 0.000 3.048 342 V HA 0.519 4.638 4.120 -0.001 0.000 0.303 342 V C -0.764 175.433 176.094 0.172 0.000 1.214 342 V CA -0.409 62.008 62.300 0.195 0.000 0.984 342 V CB 2.569 34.521 31.823 0.214 0.000 1.054 342 V HN 0.946 nan 8.190 nan 0.000 0.430 343 T N 1.700 116.388 114.554 0.223 0.000 2.918 343 T HA 0.496 4.845 4.350 -0.001 0.000 0.283 343 T C 0.564 175.370 174.700 0.177 0.000 1.001 343 T CA -0.454 61.760 62.100 0.190 0.000 1.041 343 T CB 1.576 70.574 68.868 0.217 0.000 1.028 343 T HN 0.696 nan 8.240 nan 0.000 0.511 344 E N 0.499 120.724 120.200 0.042 0.000 2.158 344 E HA 0.071 4.421 4.350 -0.001 0.000 0.191 344 E C 0.291 176.827 176.600 -0.106 0.000 0.982 344 E CA 0.922 57.297 56.400 -0.041 0.000 0.823 344 E CB 0.186 29.838 29.700 -0.079 0.000 0.766 344 E HN 0.517 nan 8.360 nan 0.000 0.468 345 K N 0.178 120.464 120.400 -0.190 0.000 2.207 345 K HA 0.273 4.592 4.320 -0.001 0.000 0.255 345 K C 0.001 176.689 176.600 0.146 0.000 0.941 345 K CA -0.581 55.520 56.287 -0.311 0.000 0.825 345 K CB 1.197 33.052 32.500 -1.076 0.000 1.119 345 K HN -0.110 nan 8.250 nan 0.000 0.430 346 F N -0.264 119.648 119.950 -0.063 0.000 2.706 346 F HA 0.148 4.675 4.527 -0.001 0.000 0.313 346 F C 0.781 176.802 175.800 0.369 0.000 1.096 346 F CA -0.440 57.677 58.000 0.194 0.000 1.219 346 F CB 0.622 39.680 39.000 0.096 0.000 1.051 346 F HN 0.398 nan 8.300 nan 0.000 0.568 347 S N 0.350 116.298 115.700 0.412 0.000 2.533 347 S HA 0.580 5.049 4.470 -0.001 0.000 0.271 347 S C -1.478 173.241 174.600 0.199 0.000 1.143 347 S CA -0.670 57.649 58.200 0.197 0.000 0.891 347 S CB 1.893 65.148 63.200 0.091 0.000 1.105 347 S HN -0.013 nan 8.310 nan 0.000 0.468 348 K N 2.437 122.879 120.400 0.069 0.000 2.339 348 K HA 0.534 4.853 4.320 -0.001 0.000 0.264 348 K C -0.474 176.076 176.600 -0.083 0.000 0.986 348 K CA -0.064 56.270 56.287 0.079 0.000 0.866 348 K CB 0.417 32.943 32.500 0.043 0.000 1.103 348 K HN 0.630 nan 8.250 nan 0.000 0.441 349 D N 3.356 123.729 120.400 -0.045 0.000 3.077 349 D HA -0.201 4.438 4.640 -0.001 0.000 0.217 349 D C -0.622 175.631 176.300 -0.078 0.000 1.162 349 D CA 1.465 55.432 54.000 -0.055 0.000 0.943 349 D CB -0.832 39.931 40.800 -0.062 0.000 1.122 349 D HN 0.842 nan 8.370 nan 0.000 0.413 350 E N -1.947 118.155 120.200 -0.163 0.000 2.440 350 E HA -0.289 4.060 4.350 -0.001 0.000 0.246 350 E C 1.248 177.770 176.600 -0.130 0.000 1.165 350 E CA 1.096 57.387 56.400 -0.182 0.000 0.726 350 E CB -0.408 29.395 29.700 0.172 0.000 1.271 350 E HN 0.375 nan 8.360 nan 0.000 0.397 351 R N -1.386 118.916 120.500 -0.330 0.000 2.320 351 R HA 0.249 4.588 4.340 -0.001 0.000 0.193 351 R C 0.113 176.322 176.300 -0.152 0.000 0.885 351 R CA 0.627 56.631 56.100 -0.161 0.000 1.085 351 R CB 0.814 30.995 30.300 -0.197 0.000 1.253 351 R HN 0.037 nan 8.270 nan 0.000 0.636 352 V N 2.733 122.470 119.914 -0.296 0.000 2.384 352 V HA 0.417 4.537 4.120 -0.001 0.000 0.287 352 V C -0.657 175.255 176.094 -0.303 0.000 1.020 352 V CA -0.563 61.641 62.300 -0.160 0.000 0.850 352 V CB 1.259 33.026 31.823 -0.093 0.000 0.987 352 V HN -0.077 nan 8.190 nan 0.000 0.436 353 F N 4.743 124.762 119.950 0.115 0.000 2.523 353 F HA 0.762 5.288 4.527 -0.001 0.000 0.329 353 F C 0.257 176.122 175.800 0.109 0.000 1.061 353 F CA -0.916 57.173 58.000 0.149 0.000 0.967 353 F CB 1.776 40.794 39.000 0.030 0.000 1.218 353 F HN 0.409 nan 8.300 nan 0.000 0.480 354 I N 0.170 120.943 120.570 0.339 0.000 2.740 354 I HA 1.002 5.172 4.170 -0.001 0.000 0.303 354 I C -1.008 175.149 176.117 0.067 0.000 1.044 354 I CA -0.966 60.411 61.300 0.129 0.000 1.064 354 I CB 2.060 40.083 38.000 0.038 0.000 1.249 354 I HN 0.631 nan 8.210 nan 0.000 0.433 355 A N 2.776 125.583 122.820 -0.021 0.000 2.606 355 A HA 0.943 5.263 4.320 -0.001 0.000 0.293 355 A C 0.020 177.536 177.584 -0.114 0.000 1.082 355 A CA -0.129 51.902 52.037 -0.010 0.000 0.685 355 A CB 0.908 19.977 19.000 0.116 0.000 1.284 355 A HN 2.107 nan 8.150 nan 0.000 0.408 356 G N 0.728 109.459 108.800 -0.116 0.000 2.525 356 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.248 356 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.248 356 G C 0.339 174.931 174.900 -0.513 0.000 1.238 356 G CA 0.835 45.854 45.100 -0.135 0.000 0.926 356 G HN 0.896 nan 8.290 nan 0.000 0.574 357 D N 0.611 120.882 120.400 -0.214 0.000 2.228 357 D HA 0.076 4.716 4.640 -0.001 0.000 0.203 357 D C 2.715 178.872 176.300 -0.239 0.000 0.988 357 D CA 2.206 56.087 54.000 -0.199 0.000 0.864 357 D CB -0.653 40.084 40.800 -0.105 0.000 0.928 357 D HN 0.945 nan 8.370 nan 0.000 0.469 358 A N -0.460 122.232 122.820 -0.213 0.000 2.024 358 A HA -0.192 4.128 4.320 -0.001 0.000 0.220 358 A C 2.262 179.726 177.584 -0.200 0.000 1.164 358 A CA 1.281 53.226 52.037 -0.154 0.000 0.643 358 A CB -0.464 18.476 19.000 -0.100 0.000 0.806 358 A HN 0.394 nan 8.150 nan 0.000 0.451 359 C N -1.979 117.085 119.300 -0.393 0.000 2.700 359 C HA 0.342 4.801 4.460 -0.001 0.000 0.297 359 C C 0.278 175.204 174.990 -0.108 0.000 1.293 359 C CA 0.414 59.199 59.018 -0.388 0.000 1.756 359 C CB -0.942 26.301 27.740 -0.828 0.000 2.210 359 C HN 0.838 nan 8.230 nan 0.000 0.553 360 H N -0.949 118.161 119.070 0.066 0.000 3.042 360 H HA 0.546 5.101 4.556 -0.001 0.000 0.345 360 H C -0.687 174.715 175.328 0.124 0.000 1.052 360 H CA -0.567 55.574 56.048 0.155 0.000 1.311 360 H CB 0.084 30.001 29.762 0.257 0.000 1.810 360 H HN 0.066 nan 8.280 nan 0.000 0.505 361 T N 0.370 115.042 114.554 0.197 0.000 2.907 361 T HA 0.804 5.154 4.350 -0.001 0.000 0.292 361 T C -0.699 174.037 174.700 0.060 0.000 1.043 361 T CA -0.744 61.348 62.100 -0.014 0.000 1.003 361 T CB 2.220 71.035 68.868 -0.088 0.000 1.084 361 T HN 1.097 nan 8.240 nan 0.000 0.483 362 H N -1.591 117.503 119.070 0.040 0.000 2.876 362 H HA 0.655 5.211 4.556 -0.001 0.000 0.284 362 H C -0.467 174.820 175.328 -0.068 0.000 1.445 362 H CA -0.736 55.315 56.048 0.005 0.000 1.141 362 H CB 0.140 29.916 29.762 0.023 0.000 1.816 362 H HN 0.821 nan 8.280 nan 0.000 0.511 363 S N 0.303 116.035 115.700 0.053 0.000 2.600 363 S HA 0.279 4.749 4.470 -0.001 0.000 0.265 363 S C -1.829 172.699 174.600 -0.120 0.000 1.325 363 S CA -0.659 57.455 58.200 -0.143 0.000 1.002 363 S CB 0.721 63.790 63.200 -0.218 0.000 0.921 363 S HN 0.740 nan 8.310 nan 0.000 0.554 364 P HA 0.266 nan 4.420 nan 0.000 0.258 364 P C 0.437 177.454 177.300 -0.472 0.000 1.416 364 P CA -0.249 62.651 63.100 -0.332 0.000 0.927 364 P CB 0.176 31.640 31.700 -0.394 0.000 1.444 365 K N 0.680 120.806 120.400 -0.457 0.000 2.209 365 K HA 0.004 4.324 4.320 -0.001 0.000 0.204 365 K C 1.556 178.155 176.600 -0.001 0.000 1.048 365 K CA 1.114 57.124 56.287 -0.461 0.000 0.940 365 K CB -0.551 31.632 32.500 -0.529 0.000 0.729 365 K HN 0.172 nan 8.250 nan 0.000 0.451 366 A N -0.304 122.579 122.820 0.106 0.000 2.564 366 A HA 0.402 4.722 4.320 -0.001 0.000 0.279 366 A C 0.819 178.499 177.584 0.161 0.000 1.232 366 A CA 0.351 52.520 52.037 0.221 0.000 0.950 366 A CB 0.092 19.314 19.000 0.369 0.000 1.138 366 A HN 0.211 nan 8.150 nan 0.000 0.526 367 G N 0.195 109.046 108.800 0.085 0.000 2.395 367 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.300 367 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.300 367 G C 0.555 175.540 174.900 0.142 0.000 0.998 367 G CA 0.607 45.770 45.100 0.105 0.000 1.046 367 G HN 0.441 nan 8.290 nan 0.000 0.513 368 Q N -0.790 119.127 119.800 0.196 0.000 2.384 368 Q HA 0.113 4.452 4.340 -0.001 0.000 0.207 368 Q C 2.546 178.711 176.000 0.276 0.000 0.904 368 Q CA 0.949 56.866 55.803 0.191 0.000 0.933 368 Q CB 0.172 28.959 28.738 0.081 0.000 1.077 368 Q HN 0.599 nan 8.270 nan 0.000 0.522 369 G N 1.616 110.632 108.800 0.361 0.000 2.524 369 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.215 369 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.215 369 G C 1.461 176.489 174.900 0.214 0.000 1.239 369 G CA 0.991 46.278 45.100 0.312 0.000 0.798 369 G HN 0.342 nan 8.290 nan 0.000 0.557 370 M N 0.493 120.170 119.600 0.130 0.000 2.108 370 M HA -0.088 4.392 4.480 -0.001 0.000 0.261 370 M C 2.349 178.704 176.300 0.092 0.000 1.066 370 M CA 1.681 57.035 55.300 0.089 0.000 1.107 370 M CB -0.326 32.299 32.600 0.042 0.000 1.356 370 M HN 0.139 nan 8.290 nan 0.000 0.406 371 N N 0.111 118.864 118.700 0.088 0.000 2.018 371 N HA -0.161 4.578 4.740 -0.001 0.000 0.196 371 N C 1.636 177.200 175.510 0.090 0.000 1.043 371 N CA 2.402 55.488 53.050 0.059 0.000 0.856 371 N CB -0.899 37.619 38.487 0.051 0.000 1.042 371 N HN 0.450 nan 8.380 nan 0.000 0.423 372 T N 0.873 115.524 114.554 0.161 0.000 2.746 372 T HA -0.035 4.315 4.350 -0.001 0.000 0.267 372 T C 2.207 177.070 174.700 0.273 0.000 1.039 372 T CA 1.182 63.406 62.100 0.206 0.000 1.142 372 T CB -0.224 68.769 68.868 0.208 0.000 0.866 372 T HN 0.202 nan 8.240 nan 0.000 0.444 373 S N 1.309 117.194 115.700 0.308 0.000 2.368 373 S HA 0.025 4.495 4.470 -0.001 0.000 0.225 373 S C 2.120 176.832 174.600 0.186 0.000 1.030 373 S CA 1.056 59.424 58.200 0.280 0.000 0.999 373 S CB -0.338 62.986 63.200 0.207 0.000 0.844 373 S HN 0.414 nan 8.310 nan 0.000 0.459 374 M N 0.422 120.100 119.600 0.130 0.000 2.175 374 M HA -0.007 4.473 4.480 -0.001 0.000 0.264 374 M C 1.881 178.259 176.300 0.131 0.000 1.063 374 M CA 1.023 56.382 55.300 0.098 0.000 1.119 374 M CB -0.403 32.219 32.600 0.036 0.000 1.377 374 M HN 0.269 nan 8.290 nan 0.000 0.415 375 M N 0.017 119.686 119.600 0.115 0.000 2.296 375 M HA -0.145 4.334 4.480 -0.001 0.000 0.265 375 M C 1.272 177.719 176.300 0.245 0.000 1.064 375 M CA 1.372 56.755 55.300 0.139 0.000 1.109 375 M CB -1.265 31.351 32.600 0.025 0.000 1.396 375 M HN 0.163 nan 8.290 nan 0.000 0.430 376 D N 0.323 120.888 120.400 0.274 0.000 2.097 376 D HA -0.106 4.534 4.640 -0.001 0.000 0.195 376 D C 2.000 178.485 176.300 0.308 0.000 0.989 376 D CA 2.182 56.415 54.000 0.388 0.000 0.827 376 D CB -0.329 40.740 40.800 0.447 0.000 0.966 376 D HN 0.429 nan 8.370 nan 0.000 0.456 377 T N -2.084 112.585 114.554 0.190 0.000 3.067 377 T HA -0.109 4.240 4.350 -0.001 0.000 0.261 377 T C 1.965 176.734 174.700 0.116 0.000 1.110 377 T CA 0.211 62.348 62.100 0.062 0.000 1.113 377 T CB -0.499 68.387 68.868 0.030 0.000 0.917 377 T HN 0.072 nan 8.240 nan 0.000 0.499 378 Y N 2.772 123.118 120.300 0.076 0.000 2.242 378 Y HA -0.050 4.499 4.550 -0.001 0.000 0.291 378 Y C 2.434 178.453 175.900 0.197 0.000 1.137 378 Y CA 1.208 59.382 58.100 0.123 0.000 1.181 378 Y CB -0.433 38.104 38.460 0.128 0.000 0.989 378 Y HN 0.232 nan 8.280 nan 0.000 0.527 379 N N 0.299 119.154 118.700 0.258 0.000 2.109 379 N HA -0.168 4.571 4.740 -0.001 0.000 0.188 379 N C 1.960 177.340 175.510 -0.217 0.000 1.034 379 N CA 1.514 54.652 53.050 0.147 0.000 0.846 379 N CB -0.467 38.136 38.487 0.193 0.000 1.010 379 N HN 0.452 nan 8.380 nan 0.000 0.425 380 L N 1.375 122.431 121.223 -0.279 0.000 2.083 380 L HA 0.070 4.409 4.340 -0.001 0.000 0.209 380 L C 2.266 178.759 176.870 -0.628 0.000 1.083 380 L CA 1.972 56.401 54.840 -0.685 0.000 0.752 380 L CB -1.187 40.215 42.059 -1.095 0.000 0.899 380 L HN 0.231 nan 8.230 nan 0.000 0.433 381 G N -0.169 108.407 108.800 -0.373 0.000 2.418 381 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.217 381 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.217 381 G C 1.395 176.135 174.900 -0.267 0.000 1.158 381 G CA 0.829 45.765 45.100 -0.273 0.000 0.771 381 G HN 0.718 nan 8.290 nan 0.000 0.545 382 W N 1.346 122.484 121.300 -0.269 0.000 2.418 382 W HA 0.130 4.790 4.660 -0.001 0.000 0.292 382 W C 1.844 178.167 176.519 -0.327 0.000 1.213 382 W CA 0.865 58.069 57.345 -0.235 0.000 1.283 382 W CB -0.553 28.803 29.460 -0.173 0.000 1.119 382 W HN 0.190 nan 8.180 nan 0.000 0.542 383 K N 0.810 120.578 120.400 -1.053 0.000 2.026 383 K HA -0.191 4.129 4.320 -0.001 0.000 0.208 383 K C 2.183 178.403 176.600 -0.634 0.000 1.048 383 K CA 1.757 57.436 56.287 -1.013 0.000 0.929 383 K CB -0.641 31.171 32.500 -1.146 0.000 0.713 383 K HN -0.001 nan 8.250 nan 0.000 0.439 384 L N 1.014 121.833 121.223 -0.674 0.000 2.083 384 L HA -0.051 4.288 4.340 -0.001 0.000 0.209 384 L C 2.155 178.661 176.870 -0.607 0.000 1.083 384 L CA 1.851 56.301 54.840 -0.649 0.000 0.752 384 L CB -0.992 40.658 42.059 -0.682 0.000 0.899 384 L HN 0.243 nan 8.230 nan 0.000 0.433 385 G N -0.689 107.630 108.800 -0.801 0.000 2.418 385 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.217 385 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.217 385 G C 1.596 176.000 174.900 -0.827 0.000 1.158 385 G CA 1.012 45.305 45.100 -1.345 0.000 0.771 385 G HN 0.422 nan 8.290 nan 0.000 0.545 386 L N 0.189 121.130 121.223 -0.470 0.000 2.093 386 L HA -0.048 4.292 4.340 -0.001 0.000 0.208 386 L C 2.959 179.776 176.870 -0.089 0.000 1.085 386 L CA 0.267 55.062 54.840 -0.075 0.000 0.755 386 L CB -0.419 41.714 42.059 0.123 0.000 0.904 386 L HN 0.084 nan 8.230 nan 0.000 0.435 387 V N 0.191 119.996 119.914 -0.183 0.000 2.307 387 V HA -0.273 3.846 4.120 -0.001 0.000 0.245 387 V C 2.366 178.405 176.094 -0.091 0.000 1.045 387 V CA 1.603 63.824 62.300 -0.132 0.000 1.024 387 V CB -0.304 31.404 31.823 -0.192 0.000 0.651 387 V HN 0.344 nan 8.190 nan 0.000 0.449 388 L N 0.540 121.673 121.223 -0.150 0.000 2.141 388 L HA -0.115 4.224 4.340 -0.001 0.000 0.209 388 L C 2.384 179.251 176.870 -0.005 0.000 1.094 388 L CA 1.858 56.658 54.840 -0.066 0.000 0.763 388 L CB -0.749 41.252 42.059 -0.097 0.000 0.908 388 L HN 0.558 nan 8.230 nan 0.000 0.437 389 T N -3.614 110.943 114.554 0.005 0.000 3.169 389 T HA 0.232 4.581 4.350 -0.001 0.000 0.250 389 T C 1.384 176.119 174.700 0.059 0.000 1.111 389 T CA 0.318 62.458 62.100 0.067 0.000 1.010 389 T CB 0.245 69.201 68.868 0.146 0.000 0.984 389 T HN 0.442 nan 8.240 nan 0.000 0.537 390 G N 1.902 110.724 108.800 0.036 0.000 2.153 390 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.252 390 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.252 390 G C 0.875 175.807 174.900 0.053 0.000 0.994 390 G CA 0.392 45.516 45.100 0.040 0.000 0.698 390 G HN 0.571 nan 8.290 nan 0.000 0.521 391 R N -0.310 120.227 120.500 0.062 0.000 2.237 391 R HA 0.561 4.901 4.340 -0.001 0.000 0.195 391 R C 1.222 177.558 176.300 0.060 0.000 0.956 391 R CA 1.055 57.203 56.100 0.082 0.000 1.029 391 R CB 0.436 30.811 30.300 0.125 0.000 0.972 391 R HN 0.676 nan 8.270 nan 0.000 0.493 392 A N 0.772 123.615 122.820 0.039 0.000 2.515 392 A HA 0.478 4.797 4.320 -0.001 0.000 0.296 392 A C -1.128 176.453 177.584 -0.004 0.000 1.094 392 A CA -0.842 51.206 52.037 0.019 0.000 0.718 392 A CB 1.279 20.309 19.000 0.050 0.000 1.307 392 A HN 0.004 nan 8.150 nan 0.000 0.408 393 K N 0.776 121.168 120.400 -0.013 0.000 2.326 393 K HA 0.196 4.516 4.320 -0.001 0.000 0.275 393 K C 0.863 177.451 176.600 -0.019 0.000 1.018 393 K CA -0.423 55.858 56.287 -0.010 0.000 0.962 393 K CB 1.026 33.518 32.500 -0.014 0.000 0.953 393 K HN 0.693 nan 8.250 nan 0.000 0.475 394 R N 1.495 121.996 120.500 0.002 0.000 2.139 394 R HA -0.183 4.156 4.340 -0.001 0.000 0.243 394 R C 0.788 177.094 176.300 0.010 0.000 1.145 394 R CA 1.519 57.630 56.100 0.018 0.000 0.976 394 R CB 0.017 30.352 30.300 0.059 0.000 0.866 394 R HN 0.634 nan 8.270 nan 0.000 0.449 395 D N 0.486 120.887 120.400 0.002 0.000 2.265 395 D HA -0.179 4.461 4.640 -0.001 0.000 0.208 395 D C 1.666 177.951 176.300 -0.024 0.000 0.977 395 D CA 1.133 55.132 54.000 -0.002 0.000 0.871 395 D CB -0.202 40.593 40.800 -0.007 0.000 0.925 395 D HN 0.514 nan 8.370 nan 0.000 0.485 396 I N -2.289 118.247 120.570 -0.056 0.000 2.756 396 I HA -0.146 4.023 4.170 -0.001 0.000 0.262 396 I C 1.830 177.862 176.117 -0.142 0.000 1.225 396 I CA 0.777 62.014 61.300 -0.105 0.000 1.472 396 I CB -0.345 37.571 38.000 -0.140 0.000 1.094 396 I HN -0.100 nan 8.210 nan 0.000 0.454 397 L N 1.061 122.231 121.223 -0.087 0.000 2.201 397 L HA -0.098 4.242 4.340 -0.001 0.000 0.212 397 L C 2.517 179.442 176.870 0.091 0.000 1.105 397 L CA 1.249 56.066 54.840 -0.038 0.000 0.775 397 L CB -0.632 41.493 42.059 0.109 0.000 0.913 397 L HN 0.241 nan 8.230 nan 0.000 0.440 398 K N -0.190 120.250 120.400 0.066 0.000 2.280 398 K HA -0.138 4.182 4.320 -0.001 0.000 0.202 398 K C 2.034 178.647 176.600 0.020 0.000 1.047 398 K CA 1.741 58.071 56.287 0.070 0.000 0.942 398 K CB -0.297 32.221 32.500 0.029 0.000 0.739 398 K HN 0.464 nan 8.250 nan 0.000 0.457 399 T N -1.721 112.811 114.554 -0.036 0.000 3.072 399 T HA -0.150 4.200 4.350 -0.001 0.000 0.266 399 T C 1.710 176.338 174.700 -0.120 0.000 1.127 399 T CA 0.390 62.433 62.100 -0.096 0.000 1.107 399 T CB -0.302 68.493 68.868 -0.122 0.000 0.910 399 T HN 0.251 nan 8.240 nan 0.000 0.513 400 Y N 2.264 122.459 120.300 -0.175 0.000 2.089 400 Y HA -0.023 4.526 4.550 -0.001 0.000 0.282 400 Y C 2.434 178.291 175.900 -0.070 0.000 1.139 400 Y CA 1.763 59.768 58.100 -0.158 0.000 1.123 400 Y CB -0.603 37.767 38.460 -0.149 0.000 0.980 400 Y HN 0.338 nan 8.280 nan 0.000 0.493 401 E N 0.045 120.126 120.200 -0.199 0.000 2.077 401 E HA -0.243 4.107 4.350 -0.001 0.000 0.193 401 E C 1.977 178.337 176.600 -0.399 0.000 0.989 401 E CA 1.568 57.727 56.400 -0.401 0.000 0.800 401 E CB -0.165 29.456 29.700 -0.132 0.000 0.746 401 E HN 0.707 nan 8.360 nan 0.000 0.452 402 E N 0.107 120.166 120.200 -0.235 0.000 2.160 402 E HA -0.210 4.140 4.350 -0.001 0.000 0.195 402 E C 1.979 178.452 176.600 -0.210 0.000 0.991 402 E CA 1.367 57.653 56.400 -0.190 0.000 0.810 402 E CB 0.038 29.665 29.700 -0.123 0.000 0.742 402 E HN 0.383 nan 8.360 nan 0.000 0.466 403 E N -0.296 119.722 120.200 -0.303 0.000 2.127 403 E HA 0.014 4.363 4.350 -0.001 0.000 0.191 403 E C 2.075 178.572 176.600 -0.172 0.000 0.964 403 E CA 0.201 56.387 56.400 -0.355 0.000 0.832 403 E CB 0.299 29.444 29.700 -0.925 0.000 0.790 403 E HN 0.006 nan 8.360 nan 0.000 0.465 404 R N 0.672 120.993 120.500 -0.298 0.000 2.173 404 R HA 0.043 4.382 4.340 -0.001 0.000 0.208 404 R C 2.131 178.290 176.300 -0.236 0.000 1.035 404 R CA 0.508 56.532 56.100 -0.126 0.000 1.004 404 R CB -0.274 29.978 30.300 -0.080 0.000 0.917 404 R HN 0.177 nan 8.270 nan 0.000 0.462 405 Q N 1.091 120.427 119.800 -0.774 0.000 2.046 405 Q HA -0.046 4.294 4.340 -0.001 0.000 0.200 405 Q C -0.952 174.891 176.000 -0.263 0.000 0.975 405 Q CA 1.429 56.670 55.803 -0.936 0.000 0.836 405 Q CB -0.850 27.206 28.738 -1.136 0.000 0.896 405 Q HN 0.132 nan 8.270 nan 0.000 0.428 406 P HA -0.115 nan 4.420 nan 0.000 0.218 406 P C 1.084 178.426 177.300 0.070 0.000 1.149 406 P CA 0.873 63.959 63.100 -0.024 0.000 0.817 406 P CB -0.357 31.345 31.700 0.004 0.000 0.785 407 F N 0.981 120.944 119.950 0.023 0.000 2.134 407 F HA -0.125 4.402 4.527 -0.001 0.000 0.299 407 F C 2.195 178.062 175.800 0.112 0.000 1.097 407 F CA 1.430 59.486 58.000 0.094 0.000 1.264 407 F CB -0.905 38.152 39.000 0.096 0.000 1.001 407 F HN -0.137 nan 8.300 nan 0.000 0.479 408 A N -0.227 122.667 122.820 0.123 0.000 1.908 408 A HA -0.279 4.040 4.320 -0.001 0.000 0.218 408 A C 2.103 179.687 177.584 -0.000 0.000 1.181 408 A CA 1.881 53.966 52.037 0.080 0.000 0.627 408 A CB -1.024 18.261 19.000 0.474 0.000 0.818 408 A HN 0.511 nan 8.150 nan 0.000 0.445 409 Q N -0.138 119.665 119.800 0.005 0.000 2.084 409 Q HA -0.049 4.290 4.340 -0.001 0.000 0.202 409 Q C 2.038 177.984 176.000 -0.091 0.000 0.978 409 Q CA 2.207 57.998 55.803 -0.020 0.000 0.844 409 Q CB -0.625 28.100 28.738 -0.023 0.000 0.898 409 Q HN 0.565 nan 8.270 nan 0.000 0.426 410 A N 0.062 122.794 122.820 -0.147 0.000 1.933 410 A HA -0.127 4.193 4.320 -0.001 0.000 0.218 410 A C 1.984 179.341 177.584 -0.378 0.000 1.175 410 A CA 1.431 53.329 52.037 -0.231 0.000 0.628 410 A CB -0.840 18.074 19.000 -0.144 0.000 0.814 410 A HN 0.486 nan 8.150 nan 0.000 0.444 411 L N -0.520 120.515 121.223 -0.315 0.000 2.017 411 L HA -0.120 4.220 4.340 -0.001 0.000 0.208 411 L C 2.104 178.897 176.870 -0.128 0.000 1.073 411 L CA 1.890 56.617 54.840 -0.188 0.000 0.745 411 L CB -0.581 41.328 42.059 -0.249 0.000 0.894 411 L HN 0.272 nan 8.230 nan 0.000 0.432 412 I N 0.287 120.810 120.570 -0.078 0.000 2.226 412 I HA -0.255 3.914 4.170 -0.001 0.000 0.245 412 I C 2.095 178.208 176.117 -0.006 0.000 1.100 412 I CA 1.368 62.672 61.300 0.007 0.000 1.374 412 I CB -0.754 37.289 38.000 0.071 0.000 1.057 412 I HN 0.324 nan 8.210 nan 0.000 0.413 413 D N -0.315 120.047 120.400 -0.062 0.000 2.117 413 D HA -0.234 4.405 4.640 -0.001 0.000 0.197 413 D C 2.050 178.322 176.300 -0.048 0.000 0.987 413 D CA 1.178 55.137 54.000 -0.068 0.000 0.829 413 D CB -0.476 40.257 40.800 -0.112 0.000 0.961 413 D HN 0.305 nan 8.370 nan 0.000 0.460 414 F N 1.893 121.654 119.950 -0.315 0.000 2.069 414 F HA -0.193 4.333 4.527 -0.001 0.000 0.298 414 F C 1.921 177.650 175.800 -0.119 0.000 1.113 414 F CA 1.730 59.517 58.000 -0.355 0.000 1.214 414 F CB -0.611 37.932 39.000 -0.762 0.000 0.978 414 F HN -0.158 nan 8.300 nan 0.000 0.474 415 D N -1.319 118.824 120.400 -0.429 0.000 2.144 415 D HA -0.229 4.410 4.640 -0.001 0.000 0.200 415 D C 2.184 178.392 176.300 -0.155 0.000 0.978 415 D CA 1.483 55.229 54.000 -0.424 0.000 0.833 415 D CB -0.339 40.337 40.800 -0.206 0.000 0.961 415 D HN 0.565 nan 8.370 nan 0.000 0.470 416 H N -0.132 118.866 119.070 -0.120 0.000 2.319 416 H HA -0.171 4.384 4.556 -0.001 0.000 0.297 416 H C 2.095 177.405 175.328 -0.029 0.000 1.097 416 H CA 2.325 58.348 56.048 -0.043 0.000 1.285 416 H CB 0.021 29.771 29.762 -0.019 0.000 1.368 416 H HN 0.168 nan 8.280 nan 0.000 0.495 417 Q N -0.990 118.898 119.800 0.147 0.000 2.020 417 Q HA -0.149 4.191 4.340 -0.001 0.000 0.198 417 Q C 2.064 178.115 176.000 0.084 0.000 0.974 417 Q CA 1.370 57.250 55.803 0.128 0.000 0.829 417 Q CB -0.225 28.589 28.738 0.126 0.000 0.894 417 Q HN 0.502 nan 8.270 nan 0.000 0.433 418 F N 1.567 121.395 119.950 -0.205 0.000 2.134 418 F HA -0.207 4.320 4.527 -0.001 0.000 0.299 418 F C 2.606 178.365 175.800 -0.069 0.000 1.097 418 F CA 1.839 59.717 58.000 -0.205 0.000 1.264 418 F CB -0.692 37.958 39.000 -0.584 0.000 1.001 418 F HN 0.236 nan 8.300 nan 0.000 0.479 419 S N 0.072 115.666 115.700 -0.175 0.000 2.382 419 S HA -0.209 4.261 4.470 -0.001 0.000 0.228 419 S C 2.167 176.674 174.600 -0.156 0.000 1.027 419 S CA 1.162 59.218 58.200 -0.240 0.000 0.991 419 S CB -0.670 62.407 63.200 -0.206 0.000 0.823 419 S HN 0.473 nan 8.310 nan 0.000 0.469 420 R N 0.763 121.210 120.500 -0.088 0.000 2.073 420 R HA 0.225 4.565 4.340 -0.001 0.000 0.229 420 R C 2.411 178.692 176.300 -0.032 0.000 1.120 420 R CA 1.297 57.375 56.100 -0.036 0.000 0.967 420 R CB -0.584 29.728 30.300 0.020 0.000 0.862 420 R HN 0.399 nan 8.270 nan 0.000 0.436 421 L N -0.589 120.637 121.223 0.005 0.000 2.083 421 L HA -0.174 4.165 4.340 -0.001 0.000 0.209 421 L C 2.144 178.974 176.870 -0.067 0.000 1.083 421 L CA 1.035 55.889 54.840 0.023 0.000 0.752 421 L CB -0.346 41.824 42.059 0.185 0.000 0.899 421 L HN 0.113 nan 8.230 nan 0.000 0.433 422 F N 0.215 120.008 119.950 -0.262 0.000 2.234 422 F HA -0.142 4.385 4.527 -0.001 0.000 0.299 422 F C 2.491 178.147 175.800 -0.240 0.000 1.087 422 F CA 1.164 58.946 58.000 -0.363 0.000 1.340 422 F CB -0.103 38.610 39.000 -0.479 0.000 1.031 422 F HN -0.056 nan 8.300 nan 0.000 0.500 423 S N -0.884 114.808 115.700 -0.014 0.000 2.548 423 S HA 0.219 4.689 4.470 -0.001 0.000 0.215 423 S C 1.122 175.488 174.600 -0.391 0.000 0.976 423 S CA 0.272 58.318 58.200 -0.256 0.000 0.908 423 S CB -0.323 62.417 63.200 -0.767 0.000 0.781 423 S HN 0.296 nan 8.310 nan 0.000 0.519 424 G N 1.270 109.973 108.800 -0.161 0.000 2.504 424 G HA2 0.446 4.405 3.960 -0.001 0.000 0.288 424 G HA3 0.446 4.405 3.960 -0.001 0.000 0.288 424 G C -0.394 174.520 174.900 0.023 0.000 1.182 424 G CA -0.741 44.334 45.100 -0.041 0.000 0.894 424 G HN 0.293 nan 8.290 nan 0.000 0.521 425 R N 1.538 122.056 120.500 0.029 0.000 2.389 425 R HA 0.228 4.568 4.340 -0.001 0.000 0.295 425 R C -2.118 174.190 176.300 0.013 0.000 1.075 425 R CA -1.273 54.846 56.100 0.032 0.000 1.005 425 R CB 0.752 31.065 30.300 0.022 0.000 0.987 425 R HN 0.262 nan 8.270 nan 0.000 0.452 426 P HA 0.029 nan 4.420 nan 0.000 0.271 426 P C -0.955 176.318 177.300 -0.045 0.000 1.216 426 P CA -0.121 62.926 63.100 -0.088 0.000 0.771 426 P CB 1.014 32.666 31.700 -0.081 0.000 0.864 427 A N 3.825 126.613 122.820 -0.054 0.000 2.520 427 A HA 0.001 4.321 4.320 -0.001 0.000 0.245 427 A C 1.453 179.026 177.584 -0.018 0.000 1.072 427 A CA 0.137 52.159 52.037 -0.026 0.000 0.761 427 A CB -0.284 18.703 19.000 -0.023 0.000 1.004 427 A HN 0.540 nan 8.150 nan 0.000 0.499 428 K N 0.289 120.685 120.400 -0.008 0.000 2.228 428 K HA -0.026 4.293 4.320 -0.001 0.000 0.202 428 K C -0.277 176.319 176.600 -0.007 0.000 1.051 428 K CA 1.542 57.826 56.287 -0.005 0.000 0.960 428 K CB 0.056 32.555 32.500 -0.002 0.000 0.743 428 K HN 1.006 nan 8.250 nan 0.000 0.458 429 D N -3.692 116.704 120.400 -0.006 0.000 2.768 429 D HA 0.023 4.663 4.640 -0.001 0.000 0.327 429 D C 0.522 176.820 176.300 -0.003 0.000 1.302 429 D CA -0.764 53.233 54.000 -0.005 0.000 0.897 429 D CB 0.712 41.510 40.800 -0.004 0.000 1.420 429 D HN -0.333 nan 8.370 nan 0.000 0.494 430 V N -0.316 119.597 119.914 -0.002 0.000 2.515 430 V HA -0.034 4.086 4.120 -0.001 0.000 0.250 430 V C 2.037 178.133 176.094 0.002 0.000 1.058 430 V CA 2.273 64.573 62.300 0.000 0.000 1.064 430 V CB -0.784 31.040 31.823 0.001 0.000 0.675 430 V HN 0.751 nan 8.190 nan 0.000 0.461 431 A N -0.991 121.830 122.820 0.002 0.000 2.275 431 A HA 0.036 4.355 4.320 -0.001 0.000 0.212 431 A C 1.155 178.742 177.584 0.004 0.000 1.201 431 A CA 0.218 52.258 52.037 0.004 0.000 0.843 431 A CB -0.260 18.742 19.000 0.004 0.000 0.873 431 A HN 0.422 nan 8.150 nan 0.000 0.492 432 D N 1.078 121.479 120.400 0.003 0.000 2.688 432 D HA -0.001 4.639 4.640 -0.001 0.000 0.228 432 D C 1.298 177.602 176.300 0.006 0.000 1.116 432 D CA -0.003 53.999 54.000 0.004 0.000 1.023 432 D CB -0.144 40.656 40.800 0.000 0.000 1.100 432 D HN 0.645 nan 8.370 nan 0.000 0.487 433 E N 1.574 121.779 120.200 0.009 0.000 2.265 433 E HA -0.242 4.107 4.350 -0.001 0.000 0.196 433 E C 1.258 177.869 176.600 0.018 0.000 0.996 433 E CA 0.675 57.083 56.400 0.013 0.000 0.832 433 E CB 0.073 29.781 29.700 0.014 0.000 0.756 433 E HN 0.274 nan 8.360 nan 0.000 0.491 434 M N 0.717 120.327 119.600 0.017 0.000 2.619 434 M HA 0.159 4.639 4.480 -0.001 0.000 0.251 434 M C 0.597 176.912 176.300 0.024 0.000 1.106 434 M CA 0.541 55.855 55.300 0.024 0.000 1.086 434 M CB 0.642 33.255 32.600 0.022 0.000 1.465 434 M HN 0.142 nan 8.290 nan 0.000 0.506 435 G N -1.283 107.525 108.800 0.013 0.000 2.509 435 G HA2 0.566 4.525 3.960 -0.001 0.000 0.328 435 G HA3 0.566 4.525 3.960 -0.001 0.000 0.328 435 G C -1.334 173.561 174.900 -0.009 0.000 1.194 435 G CA -0.673 44.428 45.100 0.002 0.000 0.967 435 G HN -0.063 nan 8.290 nan 0.000 0.488 436 V N 0.642 120.532 119.914 -0.040 0.000 2.465 436 V HA 0.380 4.499 4.120 -0.001 0.000 0.279 436 V C 0.881 176.924 176.094 -0.086 0.000 1.045 436 V CA -0.557 61.705 62.300 -0.063 0.000 0.938 436 V CB 1.361 33.112 31.823 -0.121 0.000 0.986 436 V HN 0.776 nan 8.190 nan 0.000 0.467 437 S N 5.775 121.455 115.700 -0.033 0.000 2.516 437 S HA 0.131 4.600 4.470 -0.001 0.000 0.282 437 S C 1.235 175.825 174.600 -0.017 0.000 1.286 437 S CA -0.572 57.617 58.200 -0.019 0.000 1.066 437 S CB 0.392 63.600 63.200 0.015 0.000 0.884 437 S HN 0.603 nan 8.310 nan 0.000 0.491 438 M N 3.292 122.871 119.600 -0.035 0.000 2.319 438 M HA -0.029 4.451 4.480 -0.001 0.000 0.265 438 M C 1.196 177.552 176.300 0.093 0.000 1.068 438 M CA 1.083 56.386 55.300 0.005 0.000 1.118 438 M CB -1.284 31.302 32.600 -0.023 0.000 1.395 438 M HN 0.627 nan 8.290 nan 0.000 0.435 439 D N 0.328 120.761 120.400 0.056 0.000 2.117 439 D HA -0.091 4.548 4.640 -0.001 0.000 0.198 439 D C 2.267 178.611 176.300 0.074 0.000 0.982 439 D CA 1.045 55.077 54.000 0.055 0.000 0.828 439 D CB -0.187 40.633 40.800 0.032 0.000 0.967 439 D HN 0.132 nan 8.370 nan 0.000 0.464 440 V N 0.953 120.916 119.914 0.082 0.000 2.407 440 V HA -0.224 3.896 4.120 -0.001 0.000 0.248 440 V C 2.153 178.341 176.094 0.157 0.000 1.055 440 V CA 1.167 63.526 62.300 0.098 0.000 1.049 440 V CB -0.518 31.358 31.823 0.088 0.000 0.662 440 V HN 0.083 nan 8.190 nan 0.000 0.455 441 F N 1.369 121.330 119.950 0.019 0.000 2.102 441 F HA -0.170 4.356 4.527 -0.001 0.000 0.298 441 F C 2.461 178.356 175.800 0.159 0.000 1.105 441 F CA 2.277 60.306 58.000 0.050 0.000 1.239 441 F CB -0.399 38.557 39.000 -0.073 0.000 0.991 441 F HN 0.020 nan 8.300 nan 0.000 0.474 442 K N 0.437 120.866 120.400 0.048 0.000 2.032 442 K HA -0.228 4.092 4.320 -0.001 0.000 0.209 442 K C 2.000 178.601 176.600 0.001 0.000 1.048 442 K CA 2.060 58.334 56.287 -0.023 0.000 0.927 442 K CB -0.333 32.182 32.500 0.025 0.000 0.712 442 K HN 0.409 nan 8.250 nan 0.000 0.441 443 E N 0.027 120.245 120.200 0.029 0.000 2.058 443 E HA -0.221 4.129 4.350 -0.001 0.000 0.194 443 E C 2.029 178.652 176.600 0.037 0.000 0.997 443 E CA 1.269 57.687 56.400 0.030 0.000 0.801 443 E CB -0.202 29.520 29.700 0.037 0.000 0.746 443 E HN 0.472 nan 8.360 nan 0.000 0.450 444 A N 0.849 123.704 122.820 0.059 0.000 1.972 444 A HA -0.174 4.146 4.320 -0.001 0.000 0.219 444 A C 1.923 179.511 177.584 0.006 0.000 1.169 444 A CA 0.946 53.029 52.037 0.076 0.000 0.635 444 A CB -0.552 18.563 19.000 0.191 0.000 0.810 444 A HN 0.198 nan 8.150 nan 0.000 0.446 445 F N 0.321 120.176 119.950 -0.157 0.000 2.113 445 F HA -0.106 4.421 4.527 -0.001 0.000 0.297 445 F C 2.461 178.154 175.800 -0.178 0.000 1.103 445 F CA 1.311 59.176 58.000 -0.226 0.000 1.248 445 F CB -0.570 38.261 39.000 -0.282 0.000 0.999 445 F HN 0.040 nan 8.300 nan 0.000 0.475 446 V N 0.403 120.382 119.914 0.109 0.000 2.295 446 V HA -0.335 3.785 4.120 -0.001 0.000 0.246 446 V C 2.499 178.591 176.094 -0.003 0.000 1.049 446 V CA 2.315 64.628 62.300 0.022 0.000 1.024 446 V CB -0.724 31.093 31.823 -0.011 0.000 0.648 446 V HN 0.261 nan 8.190 nan 0.000 0.447 447 K N 0.190 120.582 120.400 -0.013 0.000 2.057 447 K HA -0.146 4.174 4.320 -0.001 0.000 0.207 447 K C 2.151 178.692 176.600 -0.099 0.000 1.049 447 K CA 1.640 57.903 56.287 -0.041 0.000 0.931 447 K CB -0.633 31.850 32.500 -0.028 0.000 0.714 447 K HN 0.487 nan 8.250 nan 0.000 0.440 448 G N 0.685 109.407 108.800 -0.130 0.000 2.450 448 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.220 448 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.220 448 G C 1.048 175.797 174.900 -0.251 0.000 1.130 448 G CA 1.115 46.021 45.100 -0.324 0.000 0.760 448 G HN 0.470 nan 8.290 nan 0.000 0.557 449 N N -0.111 118.550 118.700 -0.065 0.000 2.309 449 N HA -0.057 4.682 4.740 -0.001 0.000 0.182 449 N C 2.025 177.498 175.510 -0.062 0.000 1.018 449 N CA 0.796 53.837 53.050 -0.016 0.000 0.876 449 N CB -0.064 38.439 38.487 0.027 0.000 0.972 449 N HN 0.513 nan 8.380 nan 0.000 0.434 450 E N 0.666 120.823 120.200 -0.072 0.000 2.028 450 E HA -0.189 4.161 4.350 -0.001 0.000 0.190 450 E C 1.690 178.240 176.600 -0.083 0.000 0.984 450 E CA 0.734 57.093 56.400 -0.067 0.000 0.800 450 E CB -0.070 29.601 29.700 -0.048 0.000 0.758 450 E HN 0.299 nan 8.360 nan 0.000 0.448 451 F N 1.341 121.124 119.950 -0.278 0.000 2.095 451 F HA -0.151 4.376 4.527 -0.001 0.000 0.298 451 F C 2.106 177.745 175.800 -0.269 0.000 1.104 451 F CA 1.787 59.595 58.000 -0.321 0.000 1.232 451 F CB -0.463 38.174 39.000 -0.605 0.000 0.987 451 F HN 0.095 nan 8.300 nan 0.000 0.475 452 A N -0.112 122.577 122.820 -0.219 0.000 2.019 452 A HA -0.202 4.117 4.320 -0.001 0.000 0.219 452 A C 2.302 179.807 177.584 -0.133 0.000 1.164 452 A CA 1.852 53.802 52.037 -0.146 0.000 0.644 452 A CB -1.432 17.555 19.000 -0.021 0.000 0.805 452 A HN 0.561 nan 8.150 nan 0.000 0.449 453 S N -1.338 114.284 115.700 -0.130 0.000 2.440 453 S HA 0.178 4.647 4.470 -0.001 0.000 0.238 453 S C 1.710 176.228 174.600 -0.138 0.000 1.010 453 S CA 1.411 59.551 58.200 -0.099 0.000 0.972 453 S CB -0.859 62.291 63.200 -0.084 0.000 0.774 453 S HN 1.998 nan 8.310 nan 0.000 0.501 454 G N 0.718 109.382 108.800 -0.227 0.000 2.189 454 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.267 454 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.267 454 G C 0.850 175.623 174.900 -0.211 0.000 0.975 454 G CA 1.159 46.108 45.100 -0.252 0.000 0.644 454 G HN 1.270 nan 8.290 nan 0.000 0.537 455 T N -3.231 111.223 114.554 -0.167 0.000 3.060 455 T HA 0.604 4.954 4.350 -0.001 0.000 0.249 455 T C 1.950 176.578 174.700 -0.121 0.000 1.079 455 T CA 1.161 63.179 62.100 -0.136 0.000 1.013 455 T CB 0.555 69.358 68.868 -0.109 0.000 0.975 455 T HN 1.304 nan 8.240 nan 0.000 0.518 456 A N 0.915 123.663 122.820 -0.120 0.000 2.308 456 A HA 0.504 4.823 4.320 -0.001 0.000 0.217 456 A C 0.763 178.315 177.584 -0.054 0.000 1.216 456 A CA -0.541 51.453 52.037 -0.072 0.000 0.864 456 A CB -0.534 18.443 19.000 -0.039 0.000 0.902 456 A HN 0.612 nan 8.150 nan 0.000 0.499 457 I N 1.553 122.062 120.570 -0.102 0.000 2.775 457 I HA -0.050 4.119 4.170 -0.001 0.000 0.290 457 I C 0.215 176.239 176.117 -0.156 0.000 1.203 457 I CA 0.249 61.462 61.300 -0.146 0.000 1.433 457 I CB 0.286 38.068 38.000 -0.362 0.000 1.354 457 I HN 0.221 nan 8.210 nan 0.000 0.579 458 N N 6.793 125.423 118.700 -0.118 0.000 2.617 458 N HA 0.179 4.918 4.740 -0.001 0.000 0.263 458 N C -1.165 174.342 175.510 -0.005 0.000 1.074 458 N CA -0.524 52.489 53.050 -0.063 0.000 0.841 458 N CB 0.567 39.059 38.487 0.009 0.000 1.221 458 N HN 0.202 nan 8.380 nan 0.000 0.529 459 Y N 0.969 121.298 120.300 0.049 0.000 2.511 459 Y HA 0.080 4.629 4.550 -0.001 0.000 0.332 459 Y C 1.015 176.932 175.900 0.028 0.000 1.177 459 Y CA -0.026 58.079 58.100 0.009 0.000 1.422 459 Y CB 0.280 38.718 38.460 -0.038 0.000 1.271 459 Y HN 0.366 nan 8.280 nan 0.000 0.550 460 D N 1.577 122.088 120.400 0.186 0.000 2.382 460 D HA -0.019 4.621 4.640 -0.001 0.000 0.240 460 D C 0.164 176.523 176.300 0.099 0.000 1.146 460 D CA -0.260 53.804 54.000 0.107 0.000 0.897 460 D CB 0.414 41.253 40.800 0.064 0.000 1.197 460 D HN 0.582 nan 8.370 nan 0.000 0.432 461 E N 0.995 121.242 120.200 0.079 0.000 2.568 461 E HA -0.043 4.306 4.350 -0.001 0.000 0.262 461 E C -0.285 176.349 176.600 0.057 0.000 0.961 461 E CA 0.181 56.626 56.400 0.075 0.000 0.945 461 E CB 0.192 29.927 29.700 0.059 0.000 0.924 461 E HN 0.511 nan 8.360 nan 0.000 0.467 462 N N 2.508 121.247 118.700 0.065 0.000 3.449 462 N HA 0.013 4.753 4.740 -0.001 0.000 0.312 462 N C -0.169 175.372 175.510 0.050 0.000 1.582 462 N CA -0.725 52.347 53.050 0.038 0.000 0.850 462 N CB -0.224 38.267 38.487 0.007 0.000 1.822 462 N HN 0.387 nan 8.380 nan 0.000 0.577 463 L N -0.107 121.129 121.223 0.021 0.000 2.079 463 L HA 0.038 4.377 4.340 -0.001 0.000 0.210 463 L C 1.174 178.052 176.870 0.014 0.000 1.081 463 L CA 2.059 56.900 54.840 0.002 0.000 0.752 463 L CB -0.420 41.624 42.059 -0.025 0.000 0.896 463 L HN 0.653 nan 8.230 nan 0.000 0.433 464 V N -4.897 115.075 119.914 0.096 0.000 3.271 464 V HA 0.357 4.477 4.120 -0.001 0.000 0.327 464 V C 0.033 176.364 176.094 0.396 0.000 1.389 464 V CA 0.173 62.612 62.300 0.232 0.000 1.156 464 V CB -0.402 31.627 31.823 0.343 0.000 1.103 464 V HN 0.329 nan 8.190 nan 0.000 0.453 465 T N 1.316 116.043 114.554 0.288 0.000 3.078 465 T HA 0.329 4.679 4.350 -0.001 0.000 0.328 465 T C -1.242 173.566 174.700 0.181 0.000 0.987 465 T CA -0.081 62.161 62.100 0.237 0.000 1.049 465 T CB 1.232 70.214 68.868 0.190 0.000 1.011 465 T HN 0.318 nan 8.240 nan 0.000 0.463 466 D N 2.465 122.959 120.400 0.158 0.000 2.485 466 D HA 0.294 4.934 4.640 -0.001 0.000 0.229 466 D C 0.948 177.278 176.300 0.050 0.000 1.101 466 D CA -0.461 53.607 54.000 0.114 0.000 0.906 466 D CB 0.827 41.716 40.800 0.148 0.000 1.019 466 D HN 0.340 nan 8.370 nan 0.000 0.516 467 K N 1.614 122.047 120.400 0.056 0.000 2.137 467 K HA 0.012 4.332 4.320 -0.001 0.000 0.202 467 K C 1.681 178.298 176.600 0.029 0.000 1.052 467 K CA 0.445 56.755 56.287 0.038 0.000 0.961 467 K CB 0.564 33.090 32.500 0.044 0.000 0.741 467 K HN 0.187 nan 8.250 nan 0.000 0.452 468 K N 0.704 121.125 120.400 0.035 0.000 2.147 468 K HA -0.050 4.270 4.320 -0.001 0.000 0.205 468 K C 1.751 178.365 176.600 0.024 0.000 1.049 468 K CA 1.339 57.643 56.287 0.028 0.000 0.936 468 K CB 0.056 32.575 32.500 0.031 0.000 0.722 468 K HN -0.019 nan 8.250 nan 0.000 0.446 469 S N 0.366 116.083 115.700 0.028 0.000 2.575 469 S HA 0.088 4.557 4.470 -0.001 0.000 0.215 469 S C 0.391 174.996 174.600 0.008 0.000 0.966 469 S CA -0.215 57.998 58.200 0.023 0.000 0.911 469 S CB 0.498 63.720 63.200 0.037 0.000 0.780 469 S HN 0.071 nan 8.310 nan 0.000 0.514 470 S N 1.906 117.607 115.700 0.001 0.000 2.610 470 S HA 0.313 4.783 4.470 -0.001 0.000 0.273 470 S C 0.133 174.728 174.600 -0.007 0.000 1.274 470 S CA -0.437 57.756 58.200 -0.011 0.000 1.023 470 S CB 0.779 63.970 63.200 -0.015 0.000 0.962 470 S HN 0.222 nan 8.310 nan 0.000 0.523 471 K N 2.299 122.691 120.400 -0.013 0.000 2.360 471 K HA 0.154 4.474 4.320 -0.001 0.000 0.235 471 K C 0.517 177.106 176.600 -0.019 0.000 1.077 471 K CA -0.265 56.014 56.287 -0.013 0.000 1.035 471 K CB 0.739 33.231 32.500 -0.014 0.000 1.623 471 K HN 0.432 nan 8.250 nan 0.000 0.462 472 Q N 2.222 122.013 119.800 -0.015 0.000 2.226 472 Q HA -0.210 4.129 4.340 -0.001 0.000 0.204 472 Q C 1.747 177.730 176.000 -0.028 0.000 0.975 472 Q CA 1.737 57.529 55.803 -0.019 0.000 0.866 472 Q CB 0.201 28.933 28.738 -0.010 0.000 0.915 472 Q HN 0.530 nan 8.270 nan 0.000 0.440 473 E N -0.011 120.175 120.200 -0.024 0.000 2.401 473 E HA -0.176 4.173 4.350 -0.001 0.000 0.199 473 E C 1.470 178.047 176.600 -0.039 0.000 1.023 473 E CA 0.812 57.196 56.400 -0.027 0.000 0.859 473 E CB -0.362 29.327 29.700 -0.018 0.000 0.780 473 E HN 0.518 nan 8.360 nan 0.000 0.523 474 L N 0.210 121.405 121.223 -0.046 0.000 2.313 474 L HA 0.136 4.476 4.340 -0.001 0.000 0.214 474 L C 1.257 178.057 176.870 -0.117 0.000 1.119 474 L CA 0.802 55.604 54.840 -0.064 0.000 0.809 474 L CB 0.007 42.034 42.059 -0.053 0.000 0.933 474 L HN 0.101 nan 8.230 nan 0.000 0.449 475 A N -0.530 122.221 122.820 -0.115 0.000 3.127 475 A HA 0.307 4.627 4.320 -0.001 0.000 0.319 475 A C 0.723 178.246 177.584 -0.100 0.000 1.104 475 A CA -0.548 51.387 52.037 -0.170 0.000 0.802 475 A CB 0.254 19.131 19.000 -0.204 0.000 1.193 475 A HN 0.061 nan 8.150 nan 0.000 0.479 476 K N 0.346 120.698 120.400 -0.080 0.000 2.209 476 K HA -0.080 4.239 4.320 -0.001 0.000 0.204 476 K C 0.358 176.932 176.600 -0.043 0.000 1.048 476 K CA 1.147 57.404 56.287 -0.050 0.000 0.940 476 K CB 0.103 32.578 32.500 -0.041 0.000 0.729 476 K HN 0.533 nan 8.250 nan 0.000 0.451 477 N N -0.047 118.625 118.700 -0.046 0.000 2.321 477 N HA 0.079 4.819 4.740 -0.001 0.000 0.242 477 N C -0.984 174.510 175.510 -0.027 0.000 1.141 477 N CA 0.078 53.106 53.050 -0.036 0.000 0.864 477 N CB 0.656 39.118 38.487 -0.043 0.000 1.100 477 N HN 0.026 nan 8.380 nan 0.000 0.510 478 C N 1.384 120.662 119.300 -0.037 0.000 3.273 478 C HA 0.329 4.789 4.460 -0.001 0.000 0.227 478 C C 0.609 175.602 174.990 0.005 0.000 1.409 478 C CA -0.870 58.134 59.018 -0.023 0.000 1.516 478 C CB -0.527 27.198 27.740 -0.026 0.000 1.853 478 C HN 0.006 nan 8.230 nan 0.000 0.472 479 V N 2.429 122.344 119.914 0.003 0.000 2.521 479 V HA 0.090 4.210 4.120 -0.001 0.000 0.286 479 V C 0.686 176.806 176.094 0.044 0.000 1.034 479 V CA 0.214 62.523 62.300 0.014 0.000 1.045 479 V CB 0.928 32.755 31.823 0.007 0.000 0.974 479 V HN 0.505 nan 8.190 nan 0.000 0.480 480 V N 5.575 125.516 119.914 0.045 0.000 2.617 480 V HA 0.361 4.480 4.120 -0.001 0.000 0.304 480 V C 1.478 177.634 176.094 0.103 0.000 1.040 480 V CA 1.669 64.011 62.300 0.069 0.000 1.149 480 V CB 0.109 31.958 31.823 0.043 0.000 0.914 480 V HN 1.294 nan 8.190 nan 0.000 0.487 481 G N 3.573 112.473 108.800 0.167 0.000 2.213 481 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.236 481 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.236 481 G C 0.334 175.356 174.900 0.203 0.000 0.991 481 G CA 0.274 45.502 45.100 0.214 0.000 0.629 481 G HN 1.179 nan 8.290 nan 0.000 0.517 482 T N -1.062 113.590 114.554 0.163 0.000 2.936 482 T HA 0.694 5.044 4.350 -0.001 0.000 0.282 482 T C 0.416 175.127 174.700 0.018 0.000 1.003 482 T CA 0.042 62.202 62.100 0.100 0.000 1.005 482 T CB 1.748 70.618 68.868 0.003 0.000 1.097 482 T HN 0.999 nan 8.240 nan 0.000 0.532 483 R N 0.189 120.502 120.500 -0.310 0.000 2.590 483 R HA 0.376 4.715 4.340 -0.001 0.000 0.274 483 R C -0.688 175.501 176.300 -0.184 0.000 1.061 483 R CA -0.708 55.009 56.100 -0.638 0.000 1.081 483 R CB -0.556 29.280 30.300 -0.773 0.000 0.984 483 R HN 0.617 nan 8.270 nan 0.000 0.448 484 F N 2.622 122.448 119.950 -0.206 0.000 2.487 484 F HA 0.188 4.715 4.527 -0.001 0.000 0.364 484 F C 0.442 176.273 175.800 0.051 0.000 1.126 484 F CA -0.152 57.832 58.000 -0.027 0.000 1.135 484 F CB 0.465 39.458 39.000 -0.012 0.000 1.127 484 F HN 0.607 nan 8.300 nan 0.000 0.559 485 K N 4.867 125.116 120.400 -0.252 0.000 2.322 485 K HA 0.147 4.467 4.320 -0.001 0.000 0.283 485 K C 0.221 176.812 176.600 -0.015 0.000 1.042 485 K CA -0.380 55.832 56.287 -0.125 0.000 0.958 485 K CB 0.857 33.257 32.500 -0.166 0.000 0.984 485 K HN 0.657 nan 8.250 nan 0.000 0.473 486 S N 3.314 119.038 115.700 0.041 0.000 2.560 486 S HA 0.052 4.521 4.470 -0.001 0.000 0.284 486 S C -0.778 173.743 174.600 -0.132 0.000 1.327 486 S CA -0.277 57.990 58.200 0.112 0.000 1.055 486 S CB 0.465 63.684 63.200 0.030 0.000 0.868 486 S HN 0.543 nan 8.310 nan 0.000 0.506 487 Q N 2.960 122.631 119.800 -0.214 0.000 2.421 487 Q HA 0.456 4.795 4.340 -0.001 0.000 0.280 487 Q C -2.802 172.986 176.000 -0.353 0.000 1.085 487 Q CA -2.350 53.117 55.803 -0.560 0.000 0.807 487 Q CB 1.372 29.245 28.738 -1.442 0.000 1.405 487 Q HN 0.410 nan 8.270 nan 0.000 0.419 488 P HA 0.112 nan 4.420 nan 0.000 0.268 488 P C -0.633 176.387 177.300 -0.467 0.000 1.205 488 P CA -0.077 62.622 63.100 -0.668 0.000 0.771 488 P CB 0.696 31.919 31.700 -0.795 0.000 0.858 489 V N 0.282 119.912 119.914 -0.473 0.000 3.182 489 V HA 0.642 4.762 4.120 -0.001 0.000 0.308 489 V C -0.944 175.028 176.094 -0.203 0.000 1.240 489 V CA -1.051 61.128 62.300 -0.202 0.000 1.063 489 V CB 2.149 33.983 31.823 0.018 0.000 1.076 489 V HN 0.116 nan 8.190 nan 0.000 0.446 490 V N 1.698 121.575 119.914 -0.063 0.000 2.357 490 V HA 0.524 4.644 4.120 -0.001 0.000 0.284 490 V C 0.348 176.481 176.094 0.064 0.000 1.018 490 V CA -0.515 61.774 62.300 -0.018 0.000 0.841 490 V CB 1.200 32.959 31.823 -0.106 0.000 0.991 490 V HN 0.981 nan 8.190 nan 0.000 0.437 491 R N 2.185 122.765 120.500 0.134 0.000 2.449 491 R HA 0.084 4.423 4.340 -0.001 0.000 0.296 491 R C 1.217 177.518 176.300 0.002 0.000 1.047 491 R CA 0.152 56.291 56.100 0.064 0.000 1.018 491 R CB 0.191 30.551 30.300 0.100 0.000 0.962 491 R HN 0.835 nan 8.270 nan 0.000 0.428 492 H N 1.680 120.671 119.070 -0.132 0.000 2.387 492 H HA -0.149 4.407 4.556 -0.001 0.000 0.299 492 H C 1.989 177.331 175.328 0.023 0.000 1.090 492 H CA 2.312 58.340 56.048 -0.033 0.000 1.332 492 H CB 0.370 30.130 29.762 -0.004 0.000 1.386 492 H HN 0.814 nan 8.280 nan 0.000 0.516 493 S N 0.208 116.040 115.700 0.219 0.000 2.365 493 S HA -0.217 4.252 4.470 -0.001 0.000 0.225 493 S C 1.796 176.478 174.600 0.135 0.000 1.039 493 S CA 1.577 59.902 58.200 0.208 0.000 1.033 493 S CB -0.071 63.252 63.200 0.204 0.000 0.887 493 S HN 0.777 nan 8.310 nan 0.000 0.447 494 E N 0.440 120.707 120.200 0.112 0.000 2.601 494 E HA 0.263 4.612 4.350 -0.001 0.000 0.219 494 E C 1.076 177.764 176.600 0.147 0.000 0.964 494 E CA 0.595 57.067 56.400 0.120 0.000 1.050 494 E CB -0.107 29.657 29.700 0.108 0.000 1.068 494 E HN 0.878 nan 8.360 nan 0.000 0.496 495 G N 2.037 110.893 108.800 0.093 0.000 2.149 495 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.235 495 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.235 495 G C -0.201 174.789 174.900 0.150 0.000 1.018 495 G CA 0.232 45.368 45.100 0.059 0.000 0.728 495 G HN 0.318 nan 8.290 nan 0.000 0.508 496 L N 0.555 121.878 121.223 0.165 0.000 2.433 496 L HA 0.629 4.968 4.340 -0.001 0.000 0.275 496 L C 0.641 177.646 176.870 0.225 0.000 1.128 496 L CA -1.101 53.868 54.840 0.215 0.000 0.875 496 L CB 0.214 42.377 42.059 0.173 0.000 1.171 496 L HN 0.265 nan 8.230 nan 0.000 0.463 497 W N 8.690 130.028 121.300 0.063 0.000 2.253 497 W HA 0.485 5.145 4.660 -0.001 0.000 0.322 497 W C -0.492 175.967 176.519 -0.101 0.000 1.342 497 W CA -0.448 56.872 57.345 -0.043 0.000 1.218 497 W CB 0.500 29.924 29.460 -0.060 0.000 1.205 497 W HN 0.639 nan 8.180 nan 0.000 0.551 498 M N 4.469 123.729 119.600 -0.566 0.000 2.603 498 M HA 0.302 4.782 4.480 -0.001 0.000 0.275 498 M C -1.322 174.471 176.300 -0.846 0.000 1.226 498 M CA -1.042 53.925 55.300 -0.555 0.000 0.870 498 M CB 1.855 34.372 32.600 -0.139 0.000 1.716 498 M HN 0.228 nan 8.290 nan 0.000 0.482 499 H N 1.947 120.724 119.070 -0.488 0.000 2.899 499 H HA 0.137 4.693 4.556 -0.001 0.000 0.303 499 H C 0.108 175.318 175.328 -0.196 0.000 1.042 499 H CA 0.253 56.076 56.048 -0.374 0.000 1.479 499 H CB 0.761 30.348 29.762 -0.291 0.000 1.493 499 H HN 0.782 nan 8.280 nan 0.000 0.534 500 F N 3.510 123.375 119.950 -0.143 0.000 2.202 500 F HA -0.120 4.407 4.527 -0.001 0.000 0.301 500 F C 2.231 178.006 175.800 -0.040 0.000 1.082 500 F CA 1.525 59.457 58.000 -0.113 0.000 1.313 500 F CB -0.277 38.770 39.000 0.078 0.000 1.024 500 F HN 0.661 nan 8.300 nan 0.000 0.495 501 G N -0.306 108.490 108.800 -0.005 0.000 2.462 501 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.220 501 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.220 501 G C 1.301 176.099 174.900 -0.170 0.000 1.121 501 G CA 1.082 46.146 45.100 -0.060 0.000 0.758 501 G HN 0.324 nan 8.290 nan 0.000 0.559 502 D N -0.040 120.268 120.400 -0.153 0.000 2.218 502 D HA -0.066 4.574 4.640 -0.001 0.000 0.204 502 D C 2.454 178.619 176.300 -0.225 0.000 0.976 502 D CA 0.634 54.559 54.000 -0.124 0.000 0.853 502 D CB -0.074 40.686 40.800 -0.067 0.000 0.939 502 D HN 0.242 nan 8.370 nan 0.000 0.481 503 R N 0.473 120.711 120.500 -0.437 0.000 2.236 503 R HA 0.089 4.429 4.340 -0.001 0.000 0.208 503 R C 0.738 176.771 176.300 -0.444 0.000 1.036 503 R CA 0.347 56.145 56.100 -0.503 0.000 1.001 503 R CB -0.367 29.406 30.300 -0.879 0.000 0.896 503 R HN 0.123 nan 8.270 nan 0.000 0.464 504 L N 1.770 122.742 121.223 -0.420 0.000 2.727 504 L HA 0.224 4.564 4.340 -0.001 0.000 0.237 504 L C -0.444 176.324 176.870 -0.171 0.000 1.370 504 L CA -0.683 53.984 54.840 -0.289 0.000 1.248 504 L CB 0.305 42.219 42.059 -0.242 0.000 1.556 504 L HN -0.138 nan 8.230 nan 0.000 0.420 505 V N 0.359 120.180 119.914 -0.156 0.000 2.557 505 V HA -0.085 4.034 4.120 -0.001 0.000 0.301 505 V C 1.047 177.087 176.094 -0.090 0.000 1.026 505 V CA 0.504 62.745 62.300 -0.099 0.000 1.137 505 V CB 0.654 32.421 31.823 -0.094 0.000 0.917 505 V HN 0.462 nan 8.190 nan 0.000 0.484 506 T N 5.380 119.905 114.554 -0.049 0.000 2.737 506 T HA 0.332 4.682 4.350 -0.001 0.000 0.296 506 T C 0.286 174.933 174.700 -0.089 0.000 0.922 506 T CA -0.052 62.009 62.100 -0.066 0.000 1.079 506 T CB 0.168 69.056 68.868 0.034 0.000 0.892 506 T HN 1.022 nan 8.240 nan 0.000 0.514 507 D N 1.061 121.381 120.400 -0.132 0.000 2.640 507 D HA 0.244 4.884 4.640 -0.001 0.000 0.282 507 D C 1.175 177.344 176.300 -0.220 0.000 1.558 507 D CA -0.010 53.884 54.000 -0.177 0.000 0.820 507 D CB -0.405 40.310 40.800 -0.140 0.000 1.243 507 D HN 0.717 nan 8.370 nan 0.000 0.456 508 G N 0.540 109.263 108.800 -0.127 0.000 2.213 508 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.236 508 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.236 508 G C 0.213 175.127 174.900 0.024 0.000 0.991 508 G CA -0.316 44.804 45.100 0.033 0.000 0.629 508 G HN 0.416 nan 8.290 nan 0.000 0.517 509 R N -0.281 120.193 120.500 -0.043 0.000 2.441 509 R HA 0.594 4.933 4.340 -0.001 0.000 0.284 509 R C -0.130 176.150 176.300 -0.032 0.000 1.070 509 R CA -0.477 55.643 56.100 0.033 0.000 1.047 509 R CB 0.497 30.809 30.300 0.020 0.000 1.016 509 R HN 0.089 nan 8.270 nan 0.000 0.477 510 F N 1.018 120.968 119.950 -0.000 0.000 2.380 510 F HA 0.325 4.851 4.527 -0.001 0.000 0.325 510 F C 0.774 176.593 175.800 0.032 0.000 1.136 510 F CA -0.089 57.935 58.000 0.041 0.000 1.171 510 F CB 0.793 39.982 39.000 0.315 0.000 1.230 510 F HN 0.178 nan 8.300 nan 0.000 0.554 511 R N 1.200 121.812 120.500 0.187 0.000 2.711 511 R HA 0.599 4.939 4.340 -0.001 0.000 0.284 511 R C -1.294 175.085 176.300 0.132 0.000 0.968 511 R CA -0.564 55.588 56.100 0.086 0.000 0.924 511 R CB 1.392 31.642 30.300 -0.083 0.000 1.162 511 R HN 0.507 nan 8.270 nan 0.000 0.465 512 I N 4.128 124.767 120.570 0.116 0.000 2.354 512 I HA 0.327 4.497 4.170 -0.001 0.000 0.286 512 I C -0.409 175.697 176.117 -0.018 0.000 1.007 512 I CA -0.641 60.726 61.300 0.111 0.000 1.167 512 I CB 1.151 39.289 38.000 0.230 0.000 1.320 512 I HN 0.306 nan 8.210 nan 0.000 0.458 513 I N 7.622 128.085 120.570 -0.178 0.000 2.301 513 I HA 0.174 4.343 4.170 -0.001 0.000 0.292 513 I C 0.185 176.059 176.117 -0.405 0.000 1.046 513 I CA -0.504 60.555 61.300 -0.401 0.000 1.282 513 I CB 1.152 38.714 38.000 -0.729 0.000 1.409 513 I HN 0.144 nan 8.210 nan 0.000 0.484 514 V N 7.752 127.469 119.914 -0.329 0.000 2.339 514 V HA 0.194 4.314 4.120 -0.001 0.000 0.261 514 V C 0.001 175.918 176.094 -0.296 0.000 1.058 514 V CA -0.420 61.734 62.300 -0.243 0.000 0.897 514 V CB -0.069 31.712 31.823 -0.070 0.000 1.052 514 V HN 0.326 nan 8.190 nan 0.000 0.480 515 F N 3.620 123.476 119.950 -0.157 0.000 2.509 515 F HA 0.360 4.887 4.527 -0.001 0.000 0.350 515 F C 1.428 177.293 175.800 0.108 0.000 1.220 515 F CA -0.196 57.754 58.000 -0.084 0.000 1.151 515 F CB 0.790 39.613 39.000 -0.296 0.000 1.379 515 F HN 0.575 nan 8.300 nan 0.000 0.610 516 A N 2.950 125.962 122.820 0.321 0.000 2.168 516 A HA 0.349 4.668 4.320 -0.001 0.000 0.215 516 A C 1.865 179.643 177.584 0.322 0.000 1.152 516 A CA 0.831 53.052 52.037 0.307 0.000 0.716 516 A CB -1.089 18.151 19.000 0.401 0.000 0.794 516 A HN 0.992 nan 8.150 nan 0.000 0.465 517 G N -0.255 108.796 108.800 0.418 0.000 2.564 517 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.273 517 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.273 517 G C 0.243 175.223 174.900 0.133 0.000 1.242 517 G CA 0.316 45.558 45.100 0.237 0.000 0.951 517 G HN 0.671 nan 8.290 nan 0.000 0.564 518 K N 1.593 122.037 120.400 0.073 0.000 2.155 518 K HA 0.526 4.846 4.320 -0.001 0.000 0.240 518 K C 1.686 178.309 176.600 0.039 0.000 1.193 518 K CA 0.682 56.998 56.287 0.049 0.000 1.104 518 K CB -0.515 31.998 32.500 0.021 0.000 1.558 518 K HN 0.867 nan 8.250 nan 0.000 0.313 519 A N 1.792 124.643 122.820 0.051 0.000 2.125 519 A HA -0.126 4.194 4.320 -0.001 0.000 0.219 519 A C 1.850 179.347 177.584 -0.145 0.000 1.156 519 A CA 1.864 53.867 52.037 -0.057 0.000 0.671 519 A CB -0.523 18.405 19.000 -0.120 0.000 0.794 519 A HN 0.759 nan 8.150 nan 0.000 0.459 520 T N -2.160 112.339 114.554 -0.093 0.000 3.035 520 T HA -0.009 4.340 4.350 -0.001 0.000 0.268 520 T C 0.556 175.220 174.700 -0.060 0.000 1.109 520 T CA 0.614 62.661 62.100 -0.089 0.000 1.119 520 T CB -0.567 68.272 68.868 -0.048 0.000 0.900 520 T HN 0.501 nan 8.240 nan 0.000 0.503 521 D N 0.641 121.018 120.400 -0.038 0.000 2.348 521 D HA 0.530 5.169 4.640 -0.001 0.000 0.253 521 D C 1.343 177.625 176.300 -0.030 0.000 1.161 521 D CA 0.207 54.193 54.000 -0.024 0.000 0.876 521 D CB 0.984 41.780 40.800 -0.006 0.000 1.160 521 D HN 0.120 nan 8.370 nan 0.000 0.459 522 A N 3.042 125.846 122.820 -0.027 0.000 1.908 522 A HA -0.175 4.145 4.320 -0.001 0.000 0.218 522 A C 2.129 179.704 177.584 -0.015 0.000 1.181 522 A CA 1.796 53.817 52.037 -0.027 0.000 0.627 522 A CB -0.821 18.166 19.000 -0.022 0.000 0.818 522 A HN 0.694 nan 8.150 nan 0.000 0.445 523 T N -0.647 113.904 114.554 -0.006 0.000 2.746 523 T HA -0.169 4.180 4.350 -0.001 0.000 0.267 523 T C 2.126 176.833 174.700 0.011 0.000 1.039 523 T CA 1.805 63.908 62.100 0.004 0.000 1.142 523 T CB -0.221 68.651 68.868 0.007 0.000 0.866 523 T HN 0.569 nan 8.240 nan 0.000 0.444 524 Q N 0.654 120.460 119.800 0.010 0.000 2.079 524 Q HA -0.002 4.337 4.340 -0.001 0.000 0.200 524 Q C 2.150 178.162 176.000 0.021 0.000 0.974 524 Q CA 1.358 57.176 55.803 0.024 0.000 0.840 524 Q CB -0.474 28.283 28.738 0.031 0.000 0.898 524 Q HN 0.385 nan 8.270 nan 0.000 0.430 525 M N -0.571 119.022 119.600 -0.012 0.000 2.213 525 M HA -0.052 4.427 4.480 -0.001 0.000 0.263 525 M C 1.873 178.173 176.300 0.001 0.000 1.062 525 M CA 1.570 56.849 55.300 -0.035 0.000 1.105 525 M CB -0.457 32.085 32.600 -0.096 0.000 1.385 525 M HN 0.132 nan 8.290 nan 0.000 0.417 526 S N 0.186 115.891 115.700 0.008 0.000 2.382 526 S HA -0.106 4.364 4.470 -0.001 0.000 0.228 526 S C 1.902 176.533 174.600 0.052 0.000 1.027 526 S CA 1.301 59.515 58.200 0.024 0.000 0.991 526 S CB -0.287 62.923 63.200 0.018 0.000 0.823 526 S HN 0.557 nan 8.310 nan 0.000 0.469 527 R N 0.519 121.053 120.500 0.058 0.000 2.092 527 R HA 0.078 4.417 4.340 -0.001 0.000 0.231 527 R C 2.146 178.525 176.300 0.132 0.000 1.119 527 R CA 1.153 57.303 56.100 0.084 0.000 0.970 527 R CB -0.440 29.899 30.300 0.065 0.000 0.864 527 R HN 0.388 nan 8.270 nan 0.000 0.440 528 I N 1.079 121.723 120.570 0.123 0.000 2.226 528 I HA -0.279 3.890 4.170 -0.001 0.000 0.245 528 I C 2.168 178.411 176.117 0.211 0.000 1.100 528 I CA 1.449 62.861 61.300 0.186 0.000 1.374 528 I CB -0.181 37.919 38.000 0.167 0.000 1.057 528 I HN 0.102 nan 8.210 nan 0.000 0.413 529 K N 0.706 121.183 120.400 0.128 0.000 2.057 529 K HA -0.238 4.082 4.320 -0.001 0.000 0.207 529 K C 2.179 178.850 176.600 0.119 0.000 1.049 529 K CA 1.385 57.734 56.287 0.103 0.000 0.931 529 K CB -0.139 32.391 32.500 0.050 0.000 0.714 529 K HN 0.179 nan 8.250 nan 0.000 0.440 530 K N 0.318 120.798 120.400 0.133 0.000 2.097 530 K HA -0.155 4.164 4.320 -0.001 0.000 0.205 530 K C 1.954 178.674 176.600 0.200 0.000 1.050 530 K CA 1.113 57.482 56.287 0.136 0.000 0.938 530 K CB -0.130 32.442 32.500 0.120 0.000 0.718 530 K HN 0.026 nan 8.250 nan 0.000 0.442 531 F N 1.064 121.077 119.950 0.105 0.000 2.146 531 F HA -0.053 4.474 4.527 -0.001 0.000 0.298 531 F C 1.942 177.852 175.800 0.184 0.000 1.096 531 F CA 1.350 59.440 58.000 0.149 0.000 1.275 531 F CB -0.420 38.653 39.000 0.122 0.000 1.008 531 F HN 0.074 nan 8.300 nan 0.000 0.480 532 A N 0.332 123.242 122.820 0.150 0.000 1.933 532 A HA -0.024 4.296 4.320 -0.001 0.000 0.218 532 A C 2.398 179.947 177.584 -0.057 0.000 1.175 532 A CA 1.558 53.606 52.037 0.018 0.000 0.628 532 A CB -1.491 17.568 19.000 0.098 0.000 0.814 532 A HN 0.480 nan 8.150 nan 0.000 0.444 533 A N -1.085 121.734 122.820 -0.001 0.000 1.902 533 A HA -0.115 4.205 4.320 -0.001 0.000 0.217 533 A C 2.118 179.664 177.584 -0.062 0.000 1.181 533 A CA 1.696 53.720 52.037 -0.022 0.000 0.623 533 A CB -0.849 18.164 19.000 0.021 0.000 0.818 533 A HN 0.824 nan 8.150 nan 0.000 0.443 534 Y N 0.748 120.961 120.300 -0.146 0.000 2.097 534 Y HA -0.210 4.339 4.550 -0.001 0.000 0.282 534 Y C 1.897 177.652 175.900 -0.242 0.000 1.152 534 Y CA 1.930 59.919 58.100 -0.186 0.000 1.136 534 Y CB -0.525 37.803 38.460 -0.221 0.000 0.975 534 Y HN 0.206 nan 8.280 nan 0.000 0.498 535 L N 0.173 121.014 121.223 -0.636 0.000 2.043 535 L HA -0.278 4.062 4.340 -0.001 0.000 0.212 535 L C 1.990 178.581 176.870 -0.466 0.000 1.075 535 L CA 1.780 56.239 54.840 -0.636 0.000 0.752 535 L CB -0.680 41.154 42.059 -0.376 0.000 0.891 535 L HN 0.232 nan 8.230 nan 0.000 0.432 536 D N -0.232 119.980 120.400 -0.313 0.000 2.312 536 D HA -0.043 4.597 4.640 -0.001 0.000 0.211 536 D C 1.272 177.437 176.300 -0.225 0.000 0.964 536 D CA 0.589 54.455 54.000 -0.223 0.000 0.877 536 D CB -0.105 40.609 40.800 -0.142 0.000 0.924 536 D HN 0.338 nan 8.370 nan 0.000 0.515 537 S N 0.462 115.996 115.700 -0.277 0.000 2.573 537 S HA -0.009 4.461 4.470 -0.001 0.000 0.277 537 S C 1.353 175.823 174.600 -0.216 0.000 1.346 537 S CA -0.509 57.562 58.200 -0.214 0.000 1.034 537 S CB 1.975 65.067 63.200 -0.180 0.000 0.879 537 S HN -0.059 nan 8.310 nan 0.000 0.528 538 E N 1.996 122.108 120.200 -0.147 0.000 2.130 538 E HA -0.226 4.124 4.350 -0.001 0.000 0.196 538 E C 0.778 177.284 176.600 -0.156 0.000 0.998 538 E CA 1.896 58.215 56.400 -0.135 0.000 0.806 538 E CB -0.179 29.464 29.700 -0.094 0.000 0.738 538 E HN 0.735 nan 8.360 nan 0.000 0.459 539 N N 0.171 118.782 118.700 -0.148 0.000 2.238 539 N HA 0.050 4.789 4.740 -0.001 0.000 0.222 539 N C -0.513 174.902 175.510 -0.157 0.000 1.133 539 N CA 0.511 53.479 53.050 -0.136 0.000 0.854 539 N CB 0.586 39.034 38.487 -0.066 0.000 1.041 539 N HN 0.174 nan 8.380 nan 0.000 0.510 540 S N -0.309 115.208 115.700 -0.304 0.000 2.596 540 S HA 0.085 4.555 4.470 -0.001 0.000 0.260 540 S C 1.924 176.378 174.600 -0.244 0.000 1.336 540 S CA -0.418 57.502 58.200 -0.468 0.000 0.993 540 S CB 1.001 63.581 63.200 -1.033 0.000 0.923 540 S HN 0.011 nan 8.310 nan 0.000 0.567 541 V N -0.185 119.687 119.914 -0.070 0.000 2.490 541 V HA -0.092 4.027 4.120 -0.001 0.000 0.250 541 V C 2.053 178.079 176.094 -0.112 0.000 1.061 541 V CA 1.136 63.436 62.300 0.000 0.000 1.064 541 V CB -1.241 30.578 31.823 -0.007 0.000 0.670 541 V HN 0.801 nan 8.190 nan 0.000 0.461 542 I N 1.320 121.771 120.570 -0.198 0.000 2.202 542 I HA -0.117 4.052 4.170 -0.001 0.000 0.242 542 I C 2.739 178.745 176.117 -0.185 0.000 1.091 542 I CA 1.896 63.088 61.300 -0.181 0.000 1.368 542 I CB -1.572 36.307 38.000 -0.201 0.000 1.058 542 I HN 0.352 nan 8.210 nan 0.000 0.410 543 S N 0.337 115.895 115.700 -0.236 0.000 2.402 543 S HA -0.147 4.323 4.470 -0.001 0.000 0.229 543 S C 2.089 176.549 174.600 -0.233 0.000 1.021 543 S CA 1.041 59.111 58.200 -0.216 0.000 0.974 543 S CB -0.217 62.846 63.200 -0.228 0.000 0.800 543 S HN 0.409 nan 8.310 nan 0.000 0.484 544 R N -0.303 119.997 120.500 -0.334 0.000 2.127 544 R HA 0.036 4.375 4.340 -0.001 0.000 0.217 544 R C 0.899 176.831 176.300 -0.613 0.000 1.074 544 R CA 1.010 56.801 56.100 -0.516 0.000 0.991 544 R CB -0.045 29.822 30.300 -0.723 0.000 0.895 544 R HN 0.391 nan 8.270 nan 0.000 0.450 545 Y N -0.328 119.905 120.300 -0.113 0.000 2.467 545 Y HA 0.311 4.860 4.550 -0.001 0.000 0.250 545 Y C -0.007 175.843 175.900 -0.082 0.000 1.155 545 Y CA -0.148 57.894 58.100 -0.097 0.000 1.249 545 Y CB 0.834 39.212 38.460 -0.136 0.000 1.146 545 Y HN -0.169 nan 8.280 nan 0.000 0.524 546 T N 4.052 118.601 114.554 -0.007 0.000 2.743 546 T HA 0.260 4.610 4.350 -0.001 0.000 0.293 546 T C -2.566 172.117 174.700 -0.029 0.000 0.945 546 T CA -1.544 60.545 62.100 -0.018 0.000 1.030 546 T CB 1.112 69.946 68.868 -0.056 0.000 0.912 546 T HN -0.175 nan 8.240 nan 0.000 0.483 547 P HA 0.095 nan 4.420 nan 0.000 0.269 547 P C -0.016 177.265 177.300 -0.032 0.000 1.209 547 P CA -0.511 62.581 63.100 -0.014 0.000 0.776 547 P CB 0.486 32.188 31.700 0.002 0.000 0.876 548 K N 1.957 122.335 120.400 -0.036 0.000 2.524 548 K HA 0.111 4.430 4.320 -0.001 0.000 0.279 548 K C 1.216 177.794 176.600 -0.035 0.000 0.993 548 K CA 1.130 57.392 56.287 -0.041 0.000 1.030 548 K CB -0.786 31.692 32.500 -0.037 0.000 0.891 548 K HN 0.761 nan 8.250 nan 0.000 0.488 549 G N 1.725 110.500 108.800 -0.043 0.000 2.234 549 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.260 549 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.260 549 G C 0.099 174.975 174.900 -0.040 0.000 0.987 549 G CA 0.243 45.319 45.100 -0.039 0.000 0.625 549 G HN 0.952 nan 8.290 nan 0.000 0.532 550 A N 0.059 122.856 122.820 -0.039 0.000 2.279 550 A HA 0.576 4.896 4.320 -0.001 0.000 0.303 550 A C 0.327 177.880 177.584 -0.052 0.000 1.108 550 A CA 0.286 52.301 52.037 -0.035 0.000 0.830 550 A CB 0.522 19.510 19.000 -0.021 0.000 1.106 550 A HN 0.395 nan 8.150 nan 0.000 0.493 551 D N 0.232 120.604 120.400 -0.048 0.000 2.493 551 D HA -0.001 4.638 4.640 -0.001 0.000 0.240 551 D C 0.798 177.059 176.300 -0.065 0.000 1.142 551 D CA 0.251 54.211 54.000 -0.066 0.000 0.872 551 D CB 0.499 41.272 40.800 -0.045 0.000 1.173 551 D HN 0.512 nan 8.370 nan 0.000 0.467 552 R N 2.648 123.088 120.500 -0.099 0.000 2.339 552 R HA 0.013 4.353 4.340 -0.001 0.000 0.199 552 R C 0.614 176.869 176.300 -0.075 0.000 1.018 552 R CA 0.275 56.315 56.100 -0.099 0.000 1.036 552 R CB 0.201 30.422 30.300 -0.133 0.000 0.899 552 R HN 0.342 nan 8.270 nan 0.000 0.473 553 N N -0.476 118.198 118.700 -0.043 0.000 2.204 553 N HA -0.008 4.732 4.740 -0.001 0.000 0.219 553 N C 0.679 176.225 175.510 0.060 0.000 1.151 553 N CA 0.235 53.309 53.050 0.040 0.000 0.867 553 N CB 1.143 39.716 38.487 0.145 0.000 1.043 553 N HN 0.136 nan 8.380 nan 0.000 0.516 554 S N -0.677 115.037 115.700 0.024 0.000 2.558 554 S HA 0.217 4.687 4.470 -0.001 0.000 0.217 554 S C 1.577 176.197 174.600 0.033 0.000 0.975 554 S CA 0.157 58.372 58.200 0.025 0.000 0.912 554 S CB 0.517 63.722 63.200 0.009 0.000 0.776 554 S HN 0.059 nan 8.310 nan 0.000 0.526 555 R N 0.269 120.792 120.500 0.038 0.000 2.306 555 R HA 0.515 4.855 4.340 -0.001 0.000 0.183 555 R C 0.038 176.385 176.300 0.079 0.000 0.937 555 R CA 0.369 56.507 56.100 0.063 0.000 1.118 555 R CB 0.013 30.346 30.300 0.054 0.000 1.224 555 R HN 0.379 nan 8.270 nan 0.000 0.597 556 I N 2.118 122.701 120.570 0.022 0.000 2.418 556 I HA 0.185 4.355 4.170 -0.001 0.000 0.287 556 I C -0.908 175.240 176.117 0.052 0.000 1.008 556 I CA -0.858 60.455 61.300 0.021 0.000 1.104 556 I CB 2.131 40.025 38.000 -0.177 0.000 1.264 556 I HN -0.137 nan 8.210 nan 0.000 0.438 557 D N 6.629 127.088 120.400 0.099 0.000 2.373 557 D HA 0.303 4.943 4.640 -0.001 0.000 0.227 557 D C -0.841 175.553 176.300 0.156 0.000 1.091 557 D CA -0.187 53.895 54.000 0.137 0.000 0.840 557 D CB 1.400 42.252 40.800 0.087 0.000 1.060 557 D HN 0.083 nan 8.370 nan 0.000 0.502 558 V N 5.954 125.990 119.914 0.204 0.000 2.333 558 V HA 0.393 4.512 4.120 -0.001 0.000 0.274 558 V C 0.433 176.699 176.094 0.287 0.000 1.028 558 V CA -0.540 61.875 62.300 0.191 0.000 0.851 558 V CB 0.733 32.640 31.823 0.140 0.000 1.000 558 V HN 0.453 nan 8.190 nan 0.000 0.456 559 I N 3.705 124.392 120.570 0.195 0.000 2.509 559 I HA 0.479 4.648 4.170 -0.001 0.000 0.293 559 I C 0.018 176.178 176.117 0.072 0.000 1.020 559 I CA -0.291 61.143 61.300 0.224 0.000 1.088 559 I CB 2.473 40.587 38.000 0.190 0.000 1.267 559 I HN 0.427 nan 8.210 nan 0.000 0.430 560 T N 6.695 121.315 114.554 0.110 0.000 2.779 560 T HA 0.628 4.977 4.350 -0.001 0.000 0.280 560 T C -0.283 174.397 174.700 -0.034 0.000 0.987 560 T CA -0.291 61.791 62.100 -0.030 0.000 0.966 560 T CB 0.954 69.763 68.868 -0.097 0.000 0.933 560 T HN 0.271 nan 8.240 nan 0.000 0.442 561 I N 4.510 124.985 120.570 -0.158 0.000 2.411 561 I HA 0.357 4.526 4.170 -0.001 0.000 0.284 561 I C 0.021 176.243 176.117 0.176 0.000 1.012 561 I CA -0.980 60.268 61.300 -0.087 0.000 1.119 561 I CB 1.162 38.952 38.000 -0.349 0.000 1.261 561 I HN 0.783 nan 8.210 nan 0.000 0.448 562 H N 2.798 121.996 119.070 0.212 0.000 2.615 562 H HA 0.543 5.099 4.556 -0.001 0.000 0.346 562 H C 0.467 175.875 175.328 0.134 0.000 1.200 562 H CA -0.982 55.221 56.048 0.258 0.000 1.264 562 H CB 1.223 31.168 29.762 0.306 0.000 1.699 562 H HN 0.384 nan 8.280 nan 0.000 0.567 563 S N -0.560 115.189 115.700 0.082 0.000 2.575 563 S HA 0.271 4.740 4.470 -0.001 0.000 0.237 563 S C -0.194 174.450 174.600 0.074 0.000 0.975 563 S CA -0.613 57.467 58.200 -0.200 0.000 0.960 563 S CB -1.052 61.762 63.200 -0.643 0.000 0.822 563 S HN 0.546 nan 8.310 nan 0.000 0.472 564 C N 2.181 121.714 119.300 0.388 0.000 2.349 564 C HA 0.534 4.993 4.460 -0.001 0.000 0.361 564 C C 0.552 175.701 174.990 0.265 0.000 1.189 564 C CA -0.920 58.279 59.018 0.302 0.000 2.155 564 C CB 0.454 28.346 27.740 0.252 0.000 2.336 564 C HN 0.621 nan 8.230 nan 0.000 0.540 565 H N 1.449 120.580 119.070 0.102 0.000 2.629 565 H HA 0.136 4.692 4.556 -0.001 0.000 0.357 565 H C 1.237 176.580 175.328 0.025 0.000 1.121 565 H CA 0.258 56.317 56.048 0.019 0.000 1.406 565 H CB 0.772 30.521 29.762 -0.021 0.000 1.456 565 H HN 0.763 nan 8.280 nan 0.000 0.579 566 R N 2.155 122.415 120.500 -0.401 0.000 2.285 566 R HA -0.073 4.266 4.340 -0.001 0.000 0.213 566 R C 0.152 176.476 176.300 0.040 0.000 1.068 566 R CA 1.183 57.079 56.100 -0.341 0.000 1.004 566 R CB 0.133 29.948 30.300 -0.809 0.000 0.873 566 R HN 0.412 nan 8.270 nan 0.000 0.467 567 D N 1.163 121.780 120.400 0.362 0.000 2.312 567 D HA -0.072 4.568 4.640 -0.001 0.000 0.211 567 D C 0.582 176.964 176.300 0.136 0.000 0.964 567 D CA 0.862 54.996 54.000 0.223 0.000 0.877 567 D CB 0.027 40.908 40.800 0.135 0.000 0.924 567 D HN 0.288 nan 8.370 nan 0.000 0.515 568 D N -0.408 120.082 120.400 0.151 0.000 2.379 568 D HA 0.210 4.849 4.640 -0.001 0.000 0.208 568 D C 0.619 176.944 176.300 0.043 0.000 1.065 568 D CA -0.006 54.043 54.000 0.080 0.000 0.848 568 D CB 1.654 42.502 40.800 0.080 0.000 0.949 568 D HN 0.224 nan 8.370 nan 0.000 0.509 569 I N 0.174 120.786 120.570 0.070 0.000 2.908 569 I HA 0.128 4.298 4.170 -0.001 0.000 0.300 569 I C -1.452 174.693 176.117 0.046 0.000 1.385 569 I CA -0.644 60.647 61.300 -0.016 0.000 1.004 569 I CB 2.295 40.227 38.000 -0.113 0.000 1.309 569 I HN -0.390 nan 8.210 nan 0.000 0.449 570 E N 5.850 125.943 120.200 -0.178 0.000 2.222 570 E HA 0.371 4.721 4.350 -0.001 0.000 0.267 570 E C 0.339 176.658 176.600 -0.468 0.000 0.963 570 E CA -0.704 55.494 56.400 -0.337 0.000 0.837 570 E CB 1.798 31.017 29.700 -0.802 0.000 1.183 570 E HN 0.656 nan 8.360 nan 0.000 0.403 571 M N 0.945 120.187 119.600 -0.596 0.000 2.106 571 M HA -0.198 4.282 4.480 -0.001 0.000 0.259 571 M C 1.832 177.829 176.300 -0.505 0.000 1.068 571 M CA 1.625 56.542 55.300 -0.638 0.000 1.100 571 M CB -0.556 31.610 32.600 -0.724 0.000 1.351 571 M HN 0.535 nan 8.290 nan 0.000 0.404 572 H N -1.486 117.431 119.070 -0.255 0.000 2.563 572 H HA -0.004 4.552 4.556 -0.001 0.000 0.272 572 H C 0.413 175.678 175.328 -0.105 0.000 1.005 572 H CA 0.551 56.525 56.048 -0.124 0.000 1.171 572 H CB -0.523 29.173 29.762 -0.110 0.000 1.351 572 H HN 0.391 nan 8.280 nan 0.000 0.602 573 D N 0.685 120.968 120.400 -0.195 0.000 2.347 573 D HA 0.027 4.666 4.640 -0.001 0.000 0.213 573 D C -0.048 176.069 176.300 -0.306 0.000 0.985 573 D CA 0.242 54.106 54.000 -0.227 0.000 0.879 573 D CB -0.076 40.498 40.800 -0.377 0.000 0.919 573 D HN 0.241 nan 8.370 nan 0.000 0.526 574 F N 0.558 120.429 119.950 -0.132 0.000 2.377 574 F HA 0.302 4.829 4.527 -0.001 0.000 0.328 574 F C -1.747 174.054 175.800 0.001 0.000 1.094 574 F CA -2.594 55.369 58.000 -0.062 0.000 1.093 574 F CB 0.441 39.396 39.000 -0.074 0.000 1.214 574 F HN -0.356 nan 8.300 nan 0.000 0.518 575 P HA 0.098 nan 4.420 nan 0.000 0.260 575 P C -1.249 176.140 177.300 0.148 0.000 1.172 575 P CA 0.312 63.490 63.100 0.129 0.000 0.760 575 P CB 0.294 32.071 31.700 0.128 0.000 0.773 576 A N 5.854 128.728 122.820 0.090 0.000 2.356 576 A HA 0.597 4.916 4.320 -0.001 0.000 0.310 576 A C -2.056 175.565 177.584 0.062 0.000 1.075 576 A CA -1.305 50.796 52.037 0.107 0.000 0.746 576 A CB 1.405 20.401 19.000 -0.007 0.000 1.221 576 A HN 0.357 nan 8.150 nan 0.000 0.443 577 P HA 0.168 nan 4.420 nan 0.000 0.262 577 P C 1.109 178.383 177.300 -0.044 0.000 1.304 577 P CA 0.716 63.843 63.100 0.046 0.000 0.859 577 P CB 0.595 32.253 31.700 -0.070 0.000 1.310 578 A N 0.902 123.710 122.820 -0.020 0.000 1.883 578 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 578 A C 2.094 179.667 177.584 -0.018 0.000 1.186 578 A CA 1.552 53.564 52.037 -0.043 0.000 0.624 578 A CB -1.156 17.830 19.000 -0.023 0.000 0.822 578 A HN 0.241 nan 8.150 nan 0.000 0.444 579 L N -3.081 118.180 121.223 0.063 0.000 2.642 579 L HA 0.166 4.506 4.340 -0.001 0.000 0.233 579 L C 0.754 177.685 176.870 0.102 0.000 1.077 579 L CA 0.052 54.947 54.840 0.092 0.000 0.879 579 L CB 0.228 42.389 42.059 0.170 0.000 1.151 579 L HN 0.491 nan 8.230 nan 0.000 0.495 580 H N 1.517 120.597 119.070 0.017 0.000 2.645 580 H HA 0.378 4.933 4.556 -0.001 0.000 0.257 580 H C -2.689 172.714 175.328 0.125 0.000 1.269 580 H CA -2.872 53.221 56.048 0.075 0.000 1.409 580 H CB 0.774 30.630 29.762 0.157 0.000 1.434 580 H HN -0.130 nan 8.280 nan 0.000 0.505 581 P HA 0.052 nan 4.420 nan 0.000 0.272 581 P C -0.472 176.327 177.300 -0.835 0.000 1.230 581 P CA -0.379 62.418 63.100 -0.506 0.000 0.788 581 P CB 0.768 31.988 31.700 -0.800 0.000 0.949 582 K N 2.960 122.636 120.400 -1.206 0.000 2.419 582 K HA -0.035 4.284 4.320 -0.001 0.000 0.282 582 K C -0.229 175.373 176.600 -1.664 0.000 1.056 582 K CA 0.027 54.928 56.287 -2.310 0.000 1.035 582 K CB -0.320 31.112 32.500 -1.780 0.000 0.921 582 K HN 0.431 nan 8.250 nan 0.000 0.472 583 W N 1.310 121.477 121.300 -1.889 0.000 5.271 583 W HA -0.269 4.390 4.660 -0.001 0.000 0.364 583 W C -0.629 175.489 176.519 -0.669 0.000 1.342 583 W CA 0.406 57.216 57.345 -0.893 0.000 0.899 583 W CB -2.545 26.663 29.460 -0.421 0.000 2.450 583 W HN 0.632 nan 8.180 nan 0.000 1.508 584 Q N -1.041 118.268 119.800 -0.818 0.000 2.375 584 Q HA 0.510 4.849 4.340 -0.001 0.000 0.271 584 Q C -0.169 175.486 176.000 -0.574 0.000 1.074 584 Q CA -0.745 54.823 55.803 -0.392 0.000 0.808 584 Q CB 1.360 30.047 28.738 -0.085 0.000 1.327 584 Q HN 0.074 nan 8.270 nan 0.000 0.441 585 Y N -0.459 120.001 120.300 0.265 0.000 2.738 585 Y HA 0.215 4.765 4.550 -0.001 0.000 0.249 585 Y C -0.275 175.681 175.900 0.094 0.000 1.157 585 Y CA -0.338 57.901 58.100 0.232 0.000 1.189 585 Y CB 1.147 39.718 38.460 0.186 0.000 1.262 585 Y HN 0.550 nan 8.280 nan 0.000 0.554 586 D N -0.036 120.425 120.400 0.102 0.000 3.035 586 D HA 0.226 4.865 4.640 -0.001 0.000 0.290 586 D C 0.080 176.074 176.300 -0.510 0.000 1.360 586 D CA 0.325 54.220 54.000 -0.174 0.000 0.862 586 D CB -0.059 40.613 40.800 -0.214 0.000 1.078 586 D HN 0.291 nan 8.370 nan 0.000 0.487 587 F N -0.333 119.611 119.950 -0.009 0.000 2.819 587 F HA 0.326 4.852 4.527 -0.001 0.000 0.325 587 F C 0.826 176.615 175.800 -0.019 0.000 1.041 587 F CA -0.034 58.017 58.000 0.084 0.000 1.184 587 F CB 1.187 40.224 39.000 0.061 0.000 1.019 587 F HN -0.150 nan 8.300 nan 0.000 0.590 588 I N 0.448 120.917 120.570 -0.168 0.000 2.389 588 I HA 0.321 4.490 4.170 -0.001 0.000 0.288 588 I C -1.299 174.567 176.117 -0.418 0.000 0.999 588 I CA -0.711 60.460 61.300 -0.216 0.000 1.129 588 I CB 1.217 39.050 38.000 -0.278 0.000 1.288 588 I HN -0.109 nan 8.210 nan 0.000 0.444 589 Y N 4.106 124.407 120.300 0.002 0.000 2.570 589 Y HA 0.802 5.352 4.550 -0.001 0.000 0.345 589 Y C 0.060 175.797 175.900 -0.273 0.000 1.014 589 Y CA -1.008 57.068 58.100 -0.039 0.000 1.063 589 Y CB 2.050 40.510 38.460 0.000 0.000 1.272 589 Y HN 0.526 nan 8.280 nan 0.000 0.477 590 A N 0.759 123.480 122.820 -0.165 0.000 2.386 590 A HA 0.518 4.838 4.320 -0.001 0.000 0.311 590 A C -1.593 175.855 177.584 -0.226 0.000 1.068 590 A CA -0.698 51.057 52.037 -0.470 0.000 0.743 590 A CB 1.091 19.820 19.000 -0.453 0.000 1.258 590 A HN 0.680 nan 8.150 nan 0.000 0.429 591 D N 1.310 121.600 120.400 -0.184 0.000 2.500 591 D HA 0.477 5.116 4.640 -0.001 0.000 0.219 591 D C -0.239 175.780 176.300 -0.468 0.000 1.137 591 D CA 0.122 54.028 54.000 -0.156 0.000 0.946 591 D CB -0.065 40.814 40.800 0.131 0.000 1.022 591 D HN 0.782 nan 8.370 nan 0.000 0.518 592 C N 2.209 121.177 119.300 -0.552 0.000 3.320 592 C HA 0.606 5.066 4.460 -0.001 0.000 0.335 592 C C -0.205 174.579 174.990 -0.343 0.000 1.430 592 C CA -1.115 57.573 59.018 -0.549 0.000 1.271 592 C CB 1.115 28.657 27.740 -0.330 0.000 1.609 592 C HN 0.566 nan 8.230 nan 0.000 0.457 593 D N 1.118 121.465 120.400 -0.089 0.000 2.368 593 D HA 0.479 5.119 4.640 -0.001 0.000 0.240 593 D C 0.063 176.306 176.300 -0.096 0.000 1.169 593 D CA 0.819 54.830 54.000 0.019 0.000 0.906 593 D CB 1.462 42.333 40.800 0.118 0.000 1.187 593 D HN 1.188 nan 8.370 nan 0.000 0.435 594 S N 0.635 116.282 115.700 -0.089 0.000 2.705 594 S HA 0.260 4.730 4.470 -0.001 0.000 0.280 594 S C 0.561 175.012 174.600 -0.248 0.000 1.174 594 S CA -0.944 57.110 58.200 -0.243 0.000 0.823 594 S CB 0.291 63.481 63.200 -0.016 0.000 1.162 594 S HN 0.695 nan 8.310 nan 0.000 0.487 595 W N 0.422 121.675 121.300 -0.078 0.000 2.338 595 W HA -0.014 4.645 4.660 -0.001 0.000 0.304 595 W C 2.019 178.231 176.519 -0.511 0.000 1.212 595 W CA 1.147 58.287 57.345 -0.342 0.000 1.264 595 W CB -0.294 28.826 29.460 -0.567 0.000 1.142 595 W HN 0.717 nan 8.180 nan 0.000 0.512 596 H N -3.144 115.973 119.070 0.079 0.000 2.755 596 H HA 0.258 4.814 4.556 -0.001 0.000 0.273 596 H C -0.163 174.770 175.328 -0.658 0.000 1.055 596 H CA 0.496 56.400 56.048 -0.240 0.000 1.191 596 H CB 0.164 29.750 29.762 -0.294 0.000 1.536 596 H HN 0.118 nan 8.280 nan 0.000 0.529 597 H N 0.243 119.217 119.070 -0.160 0.000 2.961 597 H HA 0.225 4.781 4.556 -0.001 0.000 0.371 597 H C -2.484 172.801 175.328 -0.071 0.000 1.190 597 H CA -1.580 54.325 56.048 -0.238 0.000 1.138 597 H CB 3.043 32.431 29.762 -0.623 0.000 1.816 597 H HN 0.046 nan 8.280 nan 0.000 0.551 598 P HA -0.022 nan 4.420 nan 0.000 0.275 598 P C 0.084 177.500 177.300 0.193 0.000 1.266 598 P CA -0.315 62.856 63.100 0.119 0.000 0.793 598 P CB 0.991 32.749 31.700 0.096 0.000 1.074 599 H N 2.240 121.356 119.070 0.076 0.000 3.125 599 H HA 0.003 4.558 4.556 -0.001 0.000 0.310 599 H C -1.371 174.009 175.328 0.088 0.000 0.980 599 H CA -0.854 55.241 56.048 0.077 0.000 1.422 599 H CB 0.269 30.061 29.762 0.049 0.000 1.432 599 H HN 0.222 nan 8.280 nan 0.000 0.577 600 P HA -0.027 nan 4.420 nan 0.000 0.245 600 P C -0.169 177.245 177.300 0.190 0.000 1.206 600 P CA 0.152 63.373 63.100 0.202 0.000 0.781 600 P CB 0.355 32.107 31.700 0.086 0.000 0.994 601 K N -0.216 120.436 120.400 0.421 0.000 3.148 601 K HA -0.112 4.207 4.320 -0.001 0.000 0.267 601 K C 0.873 177.539 176.600 0.110 0.000 0.996 601 K CA 0.451 56.878 56.287 0.233 0.000 0.737 601 K CB -2.770 29.769 32.500 0.066 0.000 1.308 601 K HN 0.212 nan 8.250 nan 0.000 0.470 602 S N -0.661 115.105 115.700 0.110 0.000 2.395 602 S HA -0.034 4.435 4.470 -0.001 0.000 0.225 602 S C 1.453 176.115 174.600 0.104 0.000 1.027 602 S CA 0.528 58.658 58.200 -0.116 0.000 0.965 602 S CB -0.153 62.869 63.200 -0.298 0.000 0.812 602 S HN 0.418 nan 8.310 nan 0.000 0.482 603 Y N 2.607 123.016 120.300 0.181 0.000 2.151 603 Y HA -0.202 4.347 4.550 -0.001 0.000 0.284 603 Y C 2.611 178.545 175.900 0.056 0.000 1.166 603 Y CA 1.308 59.515 58.100 0.178 0.000 1.163 603 Y CB -0.534 38.006 38.460 0.134 0.000 0.974 603 Y HN 0.342 nan 8.280 nan 0.000 0.511 604 Q N -1.131 118.773 119.800 0.173 0.000 2.079 604 Q HA -0.150 4.189 4.340 -0.001 0.000 0.200 604 Q C 2.560 178.549 176.000 -0.017 0.000 0.974 604 Q CA 1.242 57.079 55.803 0.057 0.000 0.840 604 Q CB -0.363 28.393 28.738 0.030 0.000 0.898 604 Q HN 0.497 nan 8.270 nan 0.000 0.430 605 A N 0.183 122.953 122.820 -0.083 0.000 1.972 605 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 605 A C 1.457 178.933 177.584 -0.181 0.000 1.169 605 A CA 0.877 52.801 52.037 -0.187 0.000 0.635 605 A CB -0.621 18.178 19.000 -0.335 0.000 0.810 605 A HN 0.487 nan 8.150 nan 0.000 0.446 606 W N -0.970 120.210 121.300 -0.201 0.000 2.905 606 W HA 0.276 4.935 4.660 -0.001 0.000 0.251 606 W C 1.505 177.841 176.519 -0.305 0.000 1.305 606 W CA 0.827 57.983 57.345 -0.314 0.000 1.465 606 W CB -0.660 28.523 29.460 -0.462 0.000 1.122 606 W HN 0.605 nan 8.180 nan 0.000 0.659 607 G N 1.148 109.933 108.800 -0.025 0.000 2.182 607 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.248 607 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.248 607 G C -0.465 174.365 174.900 -0.117 0.000 1.042 607 G CA 0.130 45.194 45.100 -0.060 0.000 0.775 607 G HN -0.005 nan 8.290 nan 0.000 0.501 608 V N 0.069 119.881 119.914 -0.170 0.000 2.513 608 V HA 0.464 4.584 4.120 -0.001 0.000 0.299 608 V C 0.474 176.585 176.094 0.028 0.000 1.035 608 V CA -0.613 61.540 62.300 -0.245 0.000 0.889 608 V CB 1.862 33.216 31.823 -0.783 0.000 0.988 608 V HN 0.440 nan 8.190 nan 0.000 0.440 609 D N 2.779 123.211 120.400 0.054 0.000 2.458 609 D HA 0.023 4.662 4.640 -0.001 0.000 0.243 609 D C 1.143 177.592 176.300 0.250 0.000 1.146 609 D CA 0.407 54.477 54.000 0.118 0.000 0.877 609 D CB 0.935 41.774 40.800 0.065 0.000 1.176 609 D HN 0.653 nan 8.370 nan 0.000 0.461 610 E N 1.465 121.766 120.200 0.168 0.000 2.150 610 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 610 E C 1.351 177.938 176.600 -0.021 0.000 0.985 610 E CA 1.047 57.456 56.400 0.015 0.000 0.814 610 E CB 0.230 29.899 29.700 -0.050 0.000 0.752 610 E HN 0.522 nan 8.360 nan 0.000 0.466 611 T N 0.533 115.111 114.554 0.041 0.000 2.866 611 T HA -0.005 4.344 4.350 -0.001 0.000 0.250 611 T C 1.651 176.397 174.700 0.077 0.000 1.033 611 T CA 0.712 62.835 62.100 0.039 0.000 1.145 611 T CB 0.064 68.948 68.868 0.028 0.000 0.866 611 T HN 0.009 nan 8.240 nan 0.000 0.434 612 K N 0.543 120.995 120.400 0.086 0.000 2.305 612 K HA 0.295 4.615 4.320 -0.001 0.000 0.199 612 K C 1.433 178.104 176.600 0.119 0.000 1.047 612 K CA 0.394 56.731 56.287 0.083 0.000 0.976 612 K CB -0.071 32.460 32.500 0.051 0.000 0.765 612 K HN 0.421 nan 8.250 nan 0.000 0.474 613 G N 1.270 110.186 108.800 0.193 0.000 2.601 613 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.252 613 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.252 613 G C -0.375 174.570 174.900 0.075 0.000 1.294 613 G CA -0.343 44.901 45.100 0.240 0.000 0.912 613 G HN 0.619 nan 8.290 nan 0.000 0.574 614 A N -3.374 119.495 122.820 0.081 0.000 2.490 614 A HA 0.776 5.095 4.320 -0.001 0.000 0.292 614 A C -1.070 176.540 177.584 0.043 0.000 1.047 614 A CA 0.411 52.456 52.037 0.013 0.000 0.632 614 A CB 0.964 19.923 19.000 -0.068 0.000 1.323 614 A HN 2.125 nan 8.150 nan 0.000 0.448 615 V N 0.324 120.222 119.914 -0.028 0.000 2.531 615 V HA 0.648 4.767 4.120 -0.001 0.000 0.301 615 V C -0.800 175.291 176.094 -0.005 0.000 1.034 615 V CA -0.540 61.717 62.300 -0.072 0.000 0.865 615 V CB 1.549 33.251 31.823 -0.201 0.000 0.995 615 V HN 0.874 nan 8.190 nan 0.000 0.424 616 V N 5.207 125.122 119.914 0.003 0.000 2.483 616 V HA 0.468 4.588 4.120 -0.001 0.000 0.297 616 V C -0.233 175.822 176.094 -0.064 0.000 1.027 616 V CA -0.676 61.625 62.300 0.001 0.000 0.855 616 V CB 2.077 33.972 31.823 0.121 0.000 0.995 616 V HN 0.612 nan 8.190 nan 0.000 0.424 617 V N 5.575 125.448 119.914 -0.069 0.000 2.509 617 V HA 0.514 4.633 4.120 -0.001 0.000 0.284 617 V C -0.052 176.000 176.094 -0.071 0.000 1.047 617 V CA -0.391 61.878 62.300 -0.052 0.000 0.952 617 V CB 1.700 33.418 31.823 -0.175 0.000 0.988 617 V HN 0.614 nan 8.190 nan 0.000 0.469 618 V N 5.268 125.162 119.914 -0.033 0.000 2.604 618 V HA 0.497 4.617 4.120 -0.001 0.000 0.305 618 V C 0.214 176.263 176.094 -0.074 0.000 1.043 618 V CA -0.995 61.255 62.300 -0.083 0.000 0.888 618 V CB 1.909 33.575 31.823 -0.262 0.000 0.995 618 V HN 0.841 nan 8.190 nan 0.000 0.429 619 R N 4.031 124.421 120.500 -0.184 0.000 2.726 619 R HA 0.229 4.568 4.340 -0.001 0.000 0.272 619 R C -1.653 174.109 176.300 -0.896 0.000 1.097 619 R CA -1.215 54.468 56.100 -0.695 0.000 1.198 619 R CB 0.222 30.226 30.300 -0.494 0.000 1.114 619 R HN 0.427 nan 8.270 nan 0.000 0.550 620 P HA -0.141 nan 4.420 nan 0.000 0.222 620 P C -0.097 176.694 177.300 -0.848 0.000 1.147 620 P CA 1.217 63.675 63.100 -1.071 0.000 0.790 620 P CB 0.105 31.088 31.700 -1.193 0.000 0.780 621 D N -2.163 117.678 120.400 -0.931 0.000 2.325 621 D HA 0.148 4.787 4.640 -0.001 0.000 0.225 621 D C 1.280 177.645 176.300 0.108 0.000 1.096 621 D CA 0.140 53.920 54.000 -0.367 0.000 0.844 621 D CB -0.972 39.758 40.800 -0.117 0.000 0.925 621 D HN 0.156 nan 8.370 nan 0.000 0.513 622 G N -0.384 108.373 108.800 -0.071 0.000 2.143 622 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.249 622 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.249 622 G C -0.463 174.392 174.900 -0.076 0.000 0.981 622 G CA -0.073 45.001 45.100 -0.043 0.000 0.665 622 G HN 0.375 nan 8.290 nan 0.000 0.528 623 Y N 1.084 121.401 120.300 0.029 0.000 2.323 623 Y HA 0.534 5.083 4.550 -0.001 0.000 0.331 623 Y C 1.364 177.311 175.900 0.078 0.000 1.092 623 Y CA -0.134 58.025 58.100 0.099 0.000 1.150 623 Y CB 1.324 39.900 38.460 0.193 0.000 1.200 623 Y HN 0.057 nan 8.280 nan 0.000 0.472 624 T N 2.103 116.784 114.554 0.213 0.000 2.888 624 T HA 0.094 4.444 4.350 -0.001 0.000 0.301 624 T C 0.866 175.641 174.700 0.124 0.000 1.001 624 T CA 0.319 62.513 62.100 0.156 0.000 1.147 624 T CB 0.382 69.357 68.868 0.178 0.000 0.931 624 T HN 0.820 nan 8.240 nan 0.000 0.541 625 S N 2.271 117.978 115.700 0.012 0.000 2.604 625 S HA 0.411 4.880 4.470 -0.001 0.000 0.235 625 S C -0.145 174.300 174.600 -0.259 0.000 1.043 625 S CA -0.545 57.619 58.200 -0.061 0.000 0.997 625 S CB 0.108 63.289 63.200 -0.032 0.000 0.956 625 S HN 0.454 nan 8.310 nan 0.000 0.535 626 L N 0.913 121.984 121.223 -0.254 0.000 2.591 626 L HA 0.695 5.034 4.340 -0.001 0.000 0.257 626 L C -2.157 174.640 176.870 -0.121 0.000 0.935 626 L CA -0.429 54.267 54.840 -0.241 0.000 0.873 626 L CB 2.143 43.933 42.059 -0.448 0.000 1.397 626 L HN -0.001 nan 8.230 nan 0.000 0.414 627 V N 3.597 123.469 119.914 -0.071 0.000 2.525 627 V HA 0.869 4.988 4.120 -0.001 0.000 0.299 627 V C -0.209 175.862 176.094 -0.038 0.000 1.034 627 V CA -0.010 62.265 62.300 -0.041 0.000 0.863 627 V CB 1.687 33.493 31.823 -0.029 0.000 0.999 627 V HN 0.941 nan 8.190 nan 0.000 0.423 628 T N 2.445 116.978 114.554 -0.035 0.000 2.626 628 T HA 0.520 4.870 4.350 -0.001 0.000 0.299 628 T C -1.804 172.872 174.700 -0.040 0.000 1.181 628 T CA -0.312 61.770 62.100 -0.030 0.000 1.053 628 T CB 1.882 70.739 68.868 -0.019 0.000 1.566 628 T HN 0.826 nan 8.240 nan 0.000 0.486 629 D N 0.160 120.538 120.400 -0.038 0.000 2.494 629 D HA 0.409 5.048 4.640 -0.001 0.000 0.259 629 D C 1.437 177.683 176.300 -0.089 0.000 1.109 629 D CA -0.776 53.193 54.000 -0.052 0.000 1.040 629 D CB 0.046 40.831 40.800 -0.024 0.000 1.175 629 D HN 0.429 nan 8.370 nan 0.000 0.584 630 L N -0.861 120.293 121.223 -0.114 0.000 2.191 630 L HA -0.110 4.229 4.340 -0.001 0.000 0.212 630 L C 1.540 178.441 176.870 0.053 0.000 1.103 630 L CA 1.315 56.053 54.840 -0.171 0.000 0.769 630 L CB -0.381 41.612 42.059 -0.109 0.000 0.908 630 L HN 0.380 nan 8.230 nan 0.000 0.438 631 E N -0.133 120.088 120.200 0.035 0.000 2.481 631 E HA -0.022 4.327 4.350 -0.001 0.000 0.195 631 E C 1.660 178.273 176.600 0.022 0.000 1.047 631 E CA 0.477 56.907 56.400 0.050 0.000 0.867 631 E CB -0.076 29.643 29.700 0.032 0.000 0.858 631 E HN 0.305 nan 8.360 nan 0.000 0.513 632 G N 0.968 109.776 108.800 0.014 0.000 3.375 632 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.247 632 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.247 632 G C 1.176 176.062 174.900 -0.022 0.000 1.343 632 G CA 0.522 45.622 45.100 -0.000 0.000 1.368 632 G HN 0.314 nan 8.290 nan 0.000 0.549 633 T N -2.503 111.984 114.554 -0.112 0.000 2.867 633 T HA 0.013 4.363 4.350 -0.001 0.000 0.268 633 T C 2.532 177.103 174.700 -0.214 0.000 1.057 633 T CA 1.301 63.173 62.100 -0.380 0.000 1.136 633 T CB -0.043 68.264 68.868 -0.934 0.000 0.874 633 T HN 0.262 nan 8.240 nan 0.000 0.466 634 A N 1.928 124.695 122.820 -0.089 0.000 1.902 634 A HA -0.060 4.259 4.320 -0.001 0.000 0.217 634 A C 2.273 179.881 177.584 0.040 0.000 1.181 634 A CA 1.692 53.726 52.037 -0.005 0.000 0.623 634 A CB -0.704 18.302 19.000 0.008 0.000 0.818 634 A HN 0.523 nan 8.150 nan 0.000 0.443 635 E N 0.058 120.279 120.200 0.035 0.000 2.110 635 E HA -0.106 4.243 4.350 -0.001 0.000 0.193 635 E C 1.765 178.434 176.600 0.114 0.000 0.988 635 E CA 1.122 57.559 56.400 0.062 0.000 0.804 635 E CB -0.346 29.375 29.700 0.035 0.000 0.745 635 E HN 0.714 nan 8.360 nan 0.000 0.458 636 I N 1.000 121.645 120.570 0.124 0.000 2.252 636 I HA -0.256 3.914 4.170 -0.001 0.000 0.245 636 I C 1.636 177.980 176.117 0.379 0.000 1.102 636 I CA 1.056 62.511 61.300 0.259 0.000 1.385 636 I CB -0.228 37.937 38.000 0.275 0.000 1.064 636 I HN 0.062 nan 8.210 nan 0.000 0.414 637 D N 0.853 121.416 120.400 0.272 0.000 2.104 637 D HA -0.173 4.467 4.640 -0.001 0.000 0.194 637 D C 2.353 178.807 176.300 0.256 0.000 0.994 637 D CA 1.327 55.504 54.000 0.296 0.000 0.830 637 D CB -0.238 40.685 40.800 0.205 0.000 0.959 637 D HN 0.266 nan 8.370 nan 0.000 0.452 638 R N -0.697 119.910 120.500 0.178 0.000 2.092 638 R HA -0.147 4.193 4.340 -0.001 0.000 0.231 638 R C 2.324 178.684 176.300 0.100 0.000 1.119 638 R CA 0.737 56.912 56.100 0.124 0.000 0.970 638 R CB -0.369 29.987 30.300 0.094 0.000 0.864 638 R HN 0.285 nan 8.270 nan 0.000 0.440 639 Y N 0.520 120.814 120.300 -0.009 0.000 2.114 639 Y HA -0.243 4.307 4.550 -0.001 0.000 0.284 639 Y C 1.777 177.539 175.900 -0.230 0.000 1.143 639 Y CA 1.608 59.617 58.100 -0.152 0.000 1.135 639 Y CB -0.454 37.838 38.460 -0.280 0.000 0.980 639 Y HN -0.116 nan 8.280 nan 0.000 0.499 640 F N -0.335 119.551 119.950 -0.107 0.000 2.234 640 F HA -0.149 4.377 4.527 -0.001 0.000 0.299 640 F C 2.678 178.295 175.800 -0.305 0.000 1.087 640 F CA 1.607 59.402 58.000 -0.342 0.000 1.340 640 F CB -0.888 37.990 39.000 -0.203 0.000 1.031 640 F HN -0.045 nan 8.300 nan 0.000 0.500 641 S N -0.277 115.483 115.700 0.101 0.000 2.399 641 S HA -0.135 4.335 4.470 -0.001 0.000 0.231 641 S C 2.368 176.963 174.600 -0.008 0.000 1.022 641 S CA 1.169 59.440 58.200 0.119 0.000 0.983 641 S CB -0.869 62.413 63.200 0.137 0.000 0.803 641 S HN 0.498 nan 8.310 nan 0.000 0.480 642 G N 0.055 108.795 108.800 -0.101 0.000 2.650 642 G HA2 0.089 4.048 3.960 -0.001 0.000 0.214 642 G HA3 0.089 4.048 3.960 -0.001 0.000 0.214 642 G C 1.128 175.936 174.900 -0.153 0.000 1.136 642 G CA 0.294 45.324 45.100 -0.117 0.000 0.789 642 G HN 0.498 nan 8.290 nan 0.000 0.536 643 I N -0.823 119.611 120.570 -0.227 0.000 3.570 643 I HA 0.285 4.455 4.170 -0.001 0.000 0.270 643 I C 0.635 176.659 176.117 -0.155 0.000 1.162 643 I CA -0.070 61.108 61.300 -0.203 0.000 1.413 643 I CB 0.166 37.970 38.000 -0.327 0.000 1.437 643 I HN -0.099 nan 8.210 nan 0.000 0.457 644 L N 1.373 122.431 121.223 -0.276 0.000 2.421 644 L HA 0.391 4.731 4.340 -0.001 0.000 0.263 644 L C -0.590 176.219 176.870 -0.101 0.000 1.122 644 L CA -0.623 54.034 54.840 -0.305 0.000 0.804 644 L CB 1.606 43.184 42.059 -0.801 0.000 1.150 644 L HN -0.173 nan 8.230 nan 0.000 0.457 645 V N 1.174 121.108 119.914 0.033 0.000 2.398 645 V HA 0.185 4.305 4.120 -0.001 0.000 0.286 645 V C 0.072 176.323 176.094 0.262 0.000 1.026 645 V CA -0.765 61.620 62.300 0.141 0.000 0.868 645 V CB 1.479 33.350 31.823 0.081 0.000 0.982 645 V HN 0.691 nan 8.190 nan 0.000 0.443 646 E N 5.704 126.066 120.200 0.270 0.000 2.414 646 E HA 0.156 4.505 4.350 -0.001 0.000 0.263 646 E C -2.189 174.463 176.600 0.086 0.000 1.000 646 E CA -1.217 55.273 56.400 0.149 0.000 0.914 646 E CB 0.591 30.289 29.700 -0.004 0.000 0.948 646 E HN 0.489 nan 8.360 nan 0.000 0.444 647 P HA -0.021 nan 4.420 nan 0.000 0.270 647 P C 0.018 177.323 177.300 0.009 0.000 1.223 647 P CA -0.035 63.088 63.100 0.038 0.000 0.785 647 P CB 0.664 32.379 31.700 0.025 0.000 0.923 648 K N 0.254 120.659 120.400 0.009 0.000 2.097 648 K HA -0.059 4.261 4.320 -0.001 0.000 0.205 648 K C 0.296 176.888 176.600 -0.014 0.000 1.050 648 K CA 1.265 57.551 56.287 -0.001 0.000 0.938 648 K CB 0.077 32.579 32.500 0.003 0.000 0.718 648 K HN 0.556 nan 8.250 nan 0.000 0.442 649 E N 1.608 121.798 120.200 -0.016 0.000 2.185 649 E HA 0.210 4.560 4.350 -0.001 0.000 0.261 649 E C -1.054 175.523 176.600 -0.038 0.000 0.879 649 E CA -0.355 56.029 56.400 -0.028 0.000 0.756 649 E CB 1.864 31.550 29.700 -0.023 0.000 1.152 649 E HN 0.077 nan 8.360 nan 0.000 0.416 650 K N 0.803 121.169 120.400 -0.057 0.000 2.090 650 K HA 0.221 4.541 4.320 -0.001 0.000 0.249 650 K C 1.152 177.705 176.600 -0.079 0.000 0.995 650 K CA -0.429 55.811 56.287 -0.078 0.000 0.914 650 K CB 1.294 33.724 32.500 -0.117 0.000 1.057 650 K HN 0.253 nan 8.250 nan 0.000 0.462 651 S N 0.706 116.353 115.700 -0.089 0.000 2.382 651 S HA -0.057 4.412 4.470 -0.001 0.000 0.228 651 S C 0.945 175.486 174.600 -0.100 0.000 1.027 651 S CA 1.551 59.697 58.200 -0.090 0.000 0.991 651 S CB -0.633 62.508 63.200 -0.099 0.000 0.823 651 S HN 0.952 nan 8.310 nan 0.000 0.469 652 G N 0.172 108.901 108.800 -0.118 0.000 2.750 652 G HA2 0.041 4.000 3.960 -0.001 0.000 0.228 652 G HA3 0.041 4.000 3.960 -0.001 0.000 0.228 652 G C 0.010 174.835 174.900 -0.126 0.000 1.367 652 G CA -0.426 44.604 45.100 -0.117 0.000 0.871 652 G HN 1.302 nan 8.290 nan 0.000 0.560 653 A N -0.239 122.511 122.820 -0.116 0.000 2.531 653 A HA 0.509 4.828 4.320 -0.001 0.000 0.236 653 A C 0.855 178.372 177.584 -0.112 0.000 1.062 653 A CA 1.508 53.472 52.037 -0.121 0.000 0.760 653 A CB 0.554 19.494 19.000 -0.101 0.000 0.995 653 A HN 1.741 nan 8.150 nan 0.000 0.501 654 Q N 1.087 120.814 119.800 -0.122 0.000 2.286 654 Q HA 0.273 4.613 4.340 -0.001 0.000 0.267 654 Q C 0.866 176.813 176.000 -0.088 0.000 1.028 654 Q CA 1.205 56.942 55.803 -0.110 0.000 0.901 654 Q CB 0.470 29.137 28.738 -0.118 0.000 1.183 654 Q HN 0.772 nan 8.270 nan 0.000 0.392 655 T N -0.170 114.337 114.554 -0.080 0.000 2.985 655 T HA 0.258 4.608 4.350 -0.001 0.000 0.254 655 T C 0.264 174.929 174.700 -0.058 0.000 1.021 655 T CA -0.265 61.796 62.100 -0.064 0.000 0.957 655 T CB 0.100 68.933 68.868 -0.058 0.000 1.047 655 T HN 0.566 nan 8.240 nan 0.000 0.511 656 E N 1.611 121.770 120.200 -0.068 0.000 2.413 656 E HA 0.463 4.813 4.350 -0.001 0.000 0.263 656 E C 0.135 176.710 176.600 -0.043 0.000 1.015 656 E CA -0.357 56.005 56.400 -0.064 0.000 0.916 656 E CB 0.831 30.475 29.700 -0.094 0.000 0.947 656 E HN 0.571 nan 8.360 nan 0.000 0.440 657 A N 3.427 126.230 122.820 -0.029 0.000 2.386 657 A HA -0.021 4.298 4.320 -0.001 0.000 0.248 657 A C 0.152 177.737 177.584 0.002 0.000 1.082 657 A CA -0.416 51.611 52.037 -0.016 0.000 0.789 657 A CB 0.399 19.394 19.000 -0.009 0.000 1.025 657 A HN 0.658 nan 8.150 nan 0.000 0.490 658 D N 2.599 122.990 120.400 -0.016 0.000 2.402 658 D HA -0.078 4.561 4.640 -0.001 0.000 0.268 658 D C 1.382 177.647 176.300 -0.058 0.000 1.294 658 D CA -0.179 53.791 54.000 -0.050 0.000 0.945 658 D CB 0.140 40.886 40.800 -0.090 0.000 1.112 658 D HN 0.620 nan 8.370 nan 0.000 0.517 659 W N 3.344 124.567 121.300 -0.129 0.000 2.468 659 W HA -0.156 4.504 4.660 -0.001 0.000 0.262 659 W C 1.039 177.543 176.519 -0.024 0.000 1.241 659 W CA 1.201 58.467 57.345 -0.132 0.000 1.232 659 W CB -1.562 27.698 29.460 -0.333 0.000 1.124 659 W HN 0.418 nan 8.180 nan 0.000 0.597 660 T N -0.729 113.408 114.554 -0.695 0.000 3.067 660 T HA 0.014 4.363 4.350 -0.001 0.000 0.261 660 T C 0.867 175.404 174.700 -0.272 0.000 1.110 660 T CA 0.395 62.129 62.100 -0.611 0.000 1.113 660 T CB -0.256 68.182 68.868 -0.718 0.000 0.917 660 T HN -0.194 nan 8.240 nan 0.000 0.499 661 K N 3.807 124.099 120.400 -0.179 0.000 2.363 661 K HA 0.362 4.681 4.320 -0.001 0.000 0.240 661 K C 0.619 177.195 176.600 -0.041 0.000 1.169 661 K CA 0.189 56.410 56.287 -0.110 0.000 1.131 661 K CB -0.450 31.995 32.500 -0.092 0.000 1.771 661 K HN 0.754 nan 8.250 nan 0.000 0.380 662 S N 0.000 115.690 115.700 -0.017 0.000 2.498 662 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 662 S CA 0.000 58.221 58.200 0.035 0.000 1.107 662 S CB 0.000 63.211 63.200 0.018 0.000 0.593 662 S HN 0.000 nan 8.310 nan 0.000 0.517