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 1hr8_1_E DATA FIRST_RESID 14 DATA SEQUENCE ARTDNFKLSS LANGLKVATS NTPGHFSALG LYIDAGSRFE GRNLKGCTHI DATA SEQUENCE LDRLAFKSTE HVEGRAMAET LELLGGNYQC TSSRENLMYQ ASVFNQDVGK DATA SEQUENCE MLQLMSETVR FPKITEQELQ EQKLSAEYEI DEVWMKPELV LPELLHTAAY DATA SEQUENCE SGETLGSPLI CPRGLIPSIS KYYLLDYRNK FYTPENTVAA FVGVPHEKAL DATA SEQUENCE ELTGKYLGDW QSTHPPITKK VAQYTGGESC IPPAPVFGNL PELFHIQIGF DATA SEQUENCE EGLPIDHPDI YALATLQTLL GGGGXXXXXX XXXXMYSRLY THVLNQYYFV DATA SEQUENCE ENCVAFNHSY SDSGIFGISL SCIPQAAPQA VEVIAQQMYN TFANKDLRLT DATA SEQUENCE EDEVSRAKNQ LKSSLLMNLE SKLVELEDMG RQVLMHGRKI PVNEMISKIE DATA SEQUENCE DLKPDDISRV AEMIFTGNVN NAGNGKGRAT VVMQGDRGSF GDVENVLKAY DATA SEQUENCE GLGNS 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.671 177.584 0.146 0.000 1.274 14 A CA 0.000 52.155 52.037 0.197 0.000 0.836 14 A CB 0.000 19.052 19.000 0.086 0.000 0.831 15 R N -0.666 119.882 120.500 0.080 0.000 2.072 15 R HA 0.161 4.501 4.340 -0.000 0.000 0.214 15 R C 2.008 178.336 176.300 0.045 0.000 1.168 15 R CA 1.503 57.635 56.100 0.053 0.000 1.020 15 R CB -0.447 29.872 30.300 0.032 0.000 0.914 15 R HN 0.562 nan 8.270 nan 0.000 0.449 16 T N 1.680 116.256 114.554 0.037 0.000 2.857 16 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 16 T C 0.889 175.613 174.700 0.041 0.000 1.048 16 T CA 1.739 63.857 62.100 0.030 0.000 1.139 16 T CB -0.328 68.551 68.868 0.018 0.000 0.874 16 T HN 0.411 nan 8.240 nan 0.000 0.455 17 D N 1.097 121.531 120.400 0.058 0.000 2.378 17 D HA -0.040 4.600 4.640 -0.000 0.000 0.222 17 D C 0.886 177.248 176.300 0.103 0.000 0.980 17 D CA 0.330 54.375 54.000 0.075 0.000 0.907 17 D CB -0.575 40.273 40.800 0.079 0.000 0.899 17 D HN 0.273 nan 8.370 nan 0.000 0.527 18 N N -1.148 117.609 118.700 0.096 0.000 2.754 18 N HA -0.240 4.500 4.740 -0.000 0.000 0.248 18 N C -1.012 174.563 175.510 0.108 0.000 1.093 18 N CA 0.120 53.214 53.050 0.073 0.000 0.699 18 N CB -1.822 36.695 38.487 0.050 0.000 1.016 18 N HN 0.373 nan 8.380 nan 0.000 0.552 19 F N 1.357 121.304 119.950 -0.005 0.000 2.467 19 F HA 0.478 5.005 4.527 -0.000 0.000 0.362 19 F C 0.348 176.119 175.800 -0.048 0.000 1.090 19 F CA -0.037 57.961 58.000 -0.003 0.000 1.202 19 F CB 0.552 39.555 39.000 0.005 0.000 1.113 19 F HN 0.066 nan 8.300 nan 0.000 0.541 20 K N 6.339 126.228 120.400 -0.853 0.000 2.422 20 K HA 0.679 4.999 4.320 -0.000 0.000 0.251 20 K C -1.968 174.022 176.600 -1.017 0.000 0.933 20 K CA -1.091 54.625 56.287 -0.951 0.000 0.798 20 K CB 2.584 34.541 32.500 -0.905 0.000 1.238 20 K HN 0.605 nan 8.250 nan 0.000 0.428 21 L N 1.076 121.840 121.223 -0.765 0.000 2.422 21 L HA 0.642 4.982 4.340 -0.000 0.000 0.264 21 L C -1.364 175.461 176.870 -0.074 0.000 0.984 21 L CA 0.147 54.808 54.840 -0.299 0.000 0.819 21 L CB 2.180 44.101 42.059 -0.231 0.000 1.330 21 L HN 0.869 nan 8.230 nan 0.000 0.410 22 S N 1.398 117.163 115.700 0.109 0.000 2.661 22 S HA 0.849 5.319 4.470 -0.000 0.000 0.268 22 S C -1.171 173.485 174.600 0.094 0.000 1.162 22 S CA -0.836 57.425 58.200 0.101 0.000 0.817 22 S CB 1.408 64.707 63.200 0.164 0.000 1.141 22 S HN 0.611 nan 8.310 nan 0.000 0.477 23 S N 0.239 115.978 115.700 0.065 0.000 2.568 23 S HA 0.668 5.138 4.470 -0.000 0.000 0.293 23 S C -0.536 174.088 174.600 0.040 0.000 1.089 23 S CA -0.864 57.367 58.200 0.051 0.000 0.945 23 S CB 0.958 64.179 63.200 0.035 0.000 1.077 23 S HN 0.621 nan 8.310 nan 0.000 0.485 24 L N 1.498 122.745 121.223 0.039 0.000 2.454 24 L HA 0.414 4.754 4.340 -0.000 0.000 0.256 24 L C 1.659 178.541 176.870 0.020 0.000 1.136 24 L CA -0.580 54.280 54.840 0.033 0.000 0.804 24 L CB 0.382 42.471 42.059 0.050 0.000 1.181 24 L HN 0.898 nan 8.230 nan 0.000 0.469 25 A N 1.101 123.931 122.820 0.017 0.000 2.019 25 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 25 A C 1.511 179.093 177.584 -0.003 0.000 1.164 25 A CA 1.685 53.727 52.037 0.009 0.000 0.644 25 A CB -0.790 18.217 19.000 0.012 0.000 0.805 25 A HN 0.914 nan 8.150 nan 0.000 0.449 26 N N -1.272 117.423 118.700 -0.009 0.000 2.461 26 N HA 0.250 4.990 4.740 -0.000 0.000 0.188 26 N C 1.007 176.463 175.510 -0.090 0.000 1.134 26 N CA 1.173 54.191 53.050 -0.054 0.000 0.878 26 N CB -0.262 38.184 38.487 -0.069 0.000 0.972 26 N HN 0.715 nan 8.380 nan 0.000 0.456 27 G N -0.653 108.118 108.800 -0.048 0.000 2.194 27 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.236 27 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.236 27 G C -0.258 174.619 174.900 -0.039 0.000 0.987 27 G CA 0.099 45.168 45.100 -0.051 0.000 0.635 27 G HN 0.485 nan 8.290 nan 0.000 0.520 28 L N 1.941 123.149 121.223 -0.025 0.000 2.513 28 L HA 0.514 4.854 4.340 -0.000 0.000 0.272 28 L C 0.636 177.545 176.870 0.065 0.000 1.187 28 L CA 0.153 55.009 54.840 0.027 0.000 0.895 28 L CB 0.260 42.378 42.059 0.098 0.000 1.147 28 L HN 0.196 nan 8.230 nan 0.000 0.483 29 K N 4.170 124.617 120.400 0.078 0.000 2.205 29 K HA 0.477 4.797 4.320 -0.000 0.000 0.279 29 K C -1.129 175.560 176.600 0.148 0.000 1.027 29 K CA -0.659 55.688 56.287 0.099 0.000 0.932 29 K CB 1.463 34.016 32.500 0.089 0.000 1.032 29 K HN 0.449 nan 8.250 nan 0.000 0.466 30 V N 2.511 122.522 119.914 0.161 0.000 2.350 30 V HA 0.428 4.548 4.120 -0.000 0.000 0.285 30 V C -0.514 175.739 176.094 0.264 0.000 1.014 30 V CA -0.851 61.578 62.300 0.215 0.000 0.831 30 V CB 1.275 33.166 31.823 0.114 0.000 1.000 30 V HN 0.873 nan 8.190 nan 0.000 0.433 31 A N 3.867 126.874 122.820 0.313 0.000 2.331 31 A HA 0.933 5.253 4.320 -0.000 0.000 0.320 31 A C 0.093 177.915 177.584 0.397 0.000 1.138 31 A CA -0.446 51.783 52.037 0.320 0.000 0.790 31 A CB 1.412 20.626 19.000 0.357 0.000 1.206 31 A HN 0.879 nan 8.150 nan 0.000 0.470 32 T N -0.608 114.149 114.554 0.338 0.000 2.900 32 T HA 0.853 5.203 4.350 -0.000 0.000 0.295 32 T C -0.230 174.639 174.700 0.281 0.000 1.044 32 T CA -0.086 62.216 62.100 0.337 0.000 0.995 32 T CB 1.505 70.564 68.868 0.317 0.000 1.072 32 T HN 1.726 nan 8.240 nan 0.000 0.473 33 S N 1.913 117.768 115.700 0.258 0.000 2.625 33 S HA 0.761 5.231 4.470 -0.000 0.000 0.271 33 S C -0.535 174.150 174.600 0.141 0.000 1.161 33 S CA -0.760 57.575 58.200 0.225 0.000 0.820 33 S CB 1.438 64.789 63.200 0.253 0.000 1.137 33 S HN 1.268 nan 8.310 nan 0.000 0.470 34 N N -0.557 118.205 118.700 0.104 0.000 6.841 34 N HA -0.160 4.580 4.740 -0.000 0.000 0.420 34 N C -0.525 175.011 175.510 0.043 0.000 0.944 34 N CA 1.525 54.610 53.050 0.057 0.000 1.444 34 N CB -1.218 37.293 38.487 0.039 0.000 0.807 34 N HN 1.429 nan 8.380 nan 0.000 0.332 35 T N -2.266 112.296 114.554 0.013 0.000 2.888 35 T HA 0.749 5.099 4.350 -0.000 0.000 0.288 35 T C -2.826 171.861 174.700 -0.021 0.000 1.063 35 T CA -1.296 60.805 62.100 0.002 0.000 1.010 35 T CB 1.679 70.543 68.868 -0.007 0.000 1.214 35 T HN 0.361 nan 8.240 nan 0.000 0.533 36 P HA 0.396 nan 4.420 nan 0.000 0.264 36 P C 0.084 177.325 177.300 -0.099 0.000 1.179 36 P CA 0.405 63.481 63.100 -0.040 0.000 0.763 36 P CB 0.195 31.881 31.700 -0.025 0.000 0.806 37 G N 0.661 109.382 108.800 -0.133 0.000 3.021 37 G HA2 0.167 4.127 3.960 -0.000 0.000 0.290 37 G HA3 0.167 4.127 3.960 -0.000 0.000 0.290 37 G C 0.311 175.075 174.900 -0.225 0.000 1.291 37 G CA -0.285 44.661 45.100 -0.257 0.000 0.834 37 G HN 0.492 nan 8.290 nan 0.000 0.564 38 H N -0.755 118.275 119.070 -0.066 0.000 2.521 38 H HA 0.105 4.661 4.556 -0.000 0.000 0.286 38 H C 0.410 175.911 175.328 0.289 0.000 1.034 38 H CA 1.661 57.779 56.048 0.116 0.000 1.278 38 H CB -0.165 29.709 29.762 0.186 0.000 1.386 38 H HN 0.374 nan 8.280 nan 0.000 0.567 39 F N -2.766 117.281 119.950 0.161 0.000 2.900 39 F HA 0.552 5.079 4.527 -0.000 0.000 0.321 39 F C -1.100 174.739 175.800 0.065 0.000 1.160 39 F CA -1.303 56.756 58.000 0.099 0.000 0.890 39 F CB 0.888 39.868 39.000 -0.034 0.000 1.334 39 F HN -0.353 nan 8.300 nan 0.000 0.459 40 S N 0.116 116.020 115.700 0.341 0.000 2.689 40 S HA 0.981 5.451 4.470 -0.000 0.000 0.306 40 S C -0.900 173.879 174.600 0.299 0.000 1.104 40 S CA -0.362 57.976 58.200 0.230 0.000 0.973 40 S CB 1.712 65.040 63.200 0.213 0.000 1.121 40 S HN 1.139 nan 8.310 nan 0.000 0.523 41 A N 1.171 124.123 122.820 0.219 0.000 2.449 41 A HA 0.895 5.215 4.320 -0.000 0.000 0.302 41 A C -1.163 176.506 177.584 0.142 0.000 1.048 41 A CA -0.819 51.330 52.037 0.187 0.000 0.708 41 A CB 0.832 19.937 19.000 0.175 0.000 1.274 41 A HN 1.018 nan 8.150 nan 0.000 0.410 42 L N -0.821 120.443 121.223 0.068 0.000 2.622 42 L HA 1.051 5.391 4.340 -0.000 0.000 0.258 42 L C -0.299 176.523 176.870 -0.079 0.000 0.996 42 L CA -0.508 54.255 54.840 -0.128 0.000 0.858 42 L CB 1.877 43.824 42.059 -0.186 0.000 1.449 42 L HN 1.425 nan 8.230 nan 0.000 0.411 43 G N 0.967 109.676 108.800 -0.152 0.000 2.601 43 G HA2 0.569 4.529 3.960 -0.000 0.000 0.291 43 G HA3 0.569 4.529 3.960 -0.000 0.000 0.291 43 G C -2.102 172.710 174.900 -0.147 0.000 1.456 43 G CA -0.893 44.138 45.100 -0.116 0.000 0.804 43 G HN 0.639 nan 8.290 nan 0.000 0.499 44 L N 0.475 121.531 121.223 -0.279 0.000 2.322 44 L HA 0.556 4.896 4.340 -0.000 0.000 0.281 44 L C -1.185 175.476 176.870 -0.348 0.000 1.014 44 L CA -0.921 53.835 54.840 -0.141 0.000 0.815 44 L CB 1.771 43.758 42.059 -0.119 0.000 1.247 44 L HN 0.508 nan 8.230 nan 0.000 0.421 45 Y N 3.534 123.871 120.300 0.062 0.000 2.350 45 Y HA 0.553 5.103 4.550 -0.000 0.000 0.338 45 Y C -0.001 175.915 175.900 0.026 0.000 0.961 45 Y CA -0.612 57.520 58.100 0.054 0.000 1.100 45 Y CB 1.606 40.085 38.460 0.031 0.000 1.179 45 Y HN 0.332 nan 8.280 nan 0.000 0.454 46 I N 2.833 123.456 120.570 0.088 0.000 2.441 46 I HA 0.193 4.363 4.170 -0.000 0.000 0.295 46 I C -0.292 175.827 176.117 0.003 0.000 0.994 46 I CA -0.858 60.438 61.300 -0.005 0.000 1.144 46 I CB 1.536 39.432 38.000 -0.172 0.000 1.314 46 I HN 0.539 nan 8.210 nan 0.000 0.445 47 D N 6.172 126.555 120.400 -0.029 0.000 2.498 47 D HA 0.448 5.088 4.640 -0.000 0.000 0.229 47 D C -0.390 175.773 176.300 -0.229 0.000 1.188 47 D CA 0.343 54.312 54.000 -0.051 0.000 1.028 47 D CB 0.230 40.989 40.800 -0.068 0.000 1.087 47 D HN 0.653 nan 8.370 nan 0.000 0.510 48 A N 0.977 123.742 122.820 -0.092 0.000 2.552 48 A HA 0.969 5.289 4.320 -0.000 0.000 0.288 48 A C 0.031 177.740 177.584 0.209 0.000 1.193 48 A CA -0.135 51.797 52.037 -0.175 0.000 0.713 48 A CB 1.737 20.659 19.000 -0.130 0.000 1.305 48 A HN 0.540 nan 8.150 nan 0.000 0.424 49 G N -1.715 107.236 108.800 0.253 0.000 2.352 49 G HA2 0.514 4.474 3.960 -0.000 0.000 0.302 49 G HA3 0.514 4.474 3.960 -0.000 0.000 0.302 49 G C 0.542 175.478 174.900 0.059 0.000 1.370 49 G CA 0.709 45.885 45.100 0.128 0.000 0.918 49 G HN 1.940 nan 8.290 nan 0.000 0.610 50 S N -0.505 115.163 115.700 -0.053 0.000 2.442 50 S HA -0.174 4.296 4.470 -0.000 0.000 0.236 50 S C 2.064 176.555 174.600 -0.181 0.000 1.007 50 S CA 1.659 59.811 58.200 -0.080 0.000 0.965 50 S CB -0.315 62.810 63.200 -0.124 0.000 0.773 50 S HN 1.103 nan 8.310 nan 0.000 0.504 51 R N -0.029 120.240 120.500 -0.386 0.000 2.285 51 R HA 0.102 4.442 4.340 -0.000 0.000 0.213 51 R C 0.711 176.659 176.300 -0.587 0.000 1.068 51 R CA 0.999 56.764 56.100 -0.559 0.000 1.004 51 R CB -0.622 29.201 30.300 -0.796 0.000 0.873 51 R HN 0.498 nan 8.270 nan 0.000 0.467 52 F N 1.105 120.969 119.950 -0.144 0.000 2.695 52 F HA 0.316 4.843 4.527 -0.000 0.000 0.303 52 F C 1.447 177.247 175.800 -0.001 0.000 1.091 52 F CA -0.338 57.585 58.000 -0.127 0.000 1.300 52 F CB 0.324 39.068 39.000 -0.426 0.000 1.071 52 F HN 0.009 nan 8.300 nan 0.000 0.578 53 E N 0.639 120.934 120.200 0.157 0.000 2.208 53 E HA 0.108 4.458 4.350 -0.000 0.000 0.193 53 E C 1.813 178.499 176.600 0.143 0.000 0.988 53 E CA 0.516 57.039 56.400 0.205 0.000 0.828 53 E CB -0.239 29.554 29.700 0.156 0.000 0.763 53 E HN 0.382 nan 8.360 nan 0.000 0.478 54 G N 1.145 109.996 108.800 0.084 0.000 2.601 54 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.261 54 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.261 54 G C 0.352 175.276 174.900 0.040 0.000 1.289 54 G CA 0.400 45.538 45.100 0.062 0.000 0.920 54 G HN 0.273 nan 8.290 nan 0.000 0.571 55 R N -0.176 120.343 120.500 0.032 0.000 2.265 55 R HA 0.183 4.523 4.340 -0.000 0.000 0.194 55 R C 2.370 178.666 176.300 -0.006 0.000 0.931 55 R CA 0.771 56.877 56.100 0.010 0.000 1.032 55 R CB -0.112 30.194 30.300 0.009 0.000 0.980 55 R HN 0.567 nan 8.270 nan 0.000 0.497 56 N N 0.203 118.912 118.700 0.015 0.000 2.354 56 N HA 0.006 4.746 4.740 -0.000 0.000 0.179 56 N C 0.598 176.045 175.510 -0.104 0.000 1.021 56 N CA 0.605 53.641 53.050 -0.023 0.000 0.887 56 N CB 0.343 38.876 38.487 0.075 0.000 0.974 56 N HN 0.085 nan 8.380 nan 0.000 0.437 57 L N 0.747 121.984 121.223 0.022 0.000 3.110 57 L HA 0.241 4.581 4.340 -0.000 0.000 0.266 57 L C -0.224 176.689 176.870 0.071 0.000 1.257 57 L CA -0.451 54.437 54.840 0.079 0.000 1.038 57 L CB 0.482 42.727 42.059 0.310 0.000 1.395 57 L HN -0.082 nan 8.230 nan 0.000 0.566 58 K N 1.478 121.879 120.400 0.001 0.000 2.472 58 K HA 0.220 4.540 4.320 -0.000 0.000 0.280 58 K C 1.201 177.796 176.600 -0.009 0.000 1.028 58 K CA 1.193 57.481 56.287 0.001 0.000 1.045 58 K CB 0.246 32.734 32.500 -0.021 0.000 0.902 58 K HN 0.313 nan 8.250 nan 0.000 0.478 59 G N 2.706 111.507 108.800 0.002 0.000 2.225 59 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.254 59 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.254 59 G C 1.383 176.273 174.900 -0.017 0.000 0.988 59 G CA 0.225 45.328 45.100 0.004 0.000 0.625 59 G HN 0.647 nan 8.290 nan 0.000 0.527 60 C N 0.908 120.177 119.300 -0.052 0.000 2.440 60 C HA 0.062 4.522 4.460 -0.000 0.000 0.278 60 C C 3.056 177.811 174.990 -0.392 0.000 1.295 60 C CA 2.114 61.017 59.018 -0.192 0.000 1.738 60 C CB -1.268 26.370 27.740 -0.170 0.000 1.987 60 C HN 0.672 nan 8.230 nan 0.000 0.492 61 T N -0.639 113.707 114.554 -0.346 0.000 2.708 61 T HA -0.229 4.121 4.350 -0.000 0.000 0.266 61 T C 1.633 176.264 174.700 -0.115 0.000 1.037 61 T CA 2.090 64.020 62.100 -0.283 0.000 1.146 61 T CB -0.509 68.337 68.868 -0.037 0.000 0.865 61 T HN 0.697 nan 8.240 nan 0.000 0.435 62 H N 1.078 120.067 119.070 -0.135 0.000 2.321 62 H HA 0.017 4.573 4.556 -0.000 0.000 0.300 62 H C 1.999 177.271 175.328 -0.093 0.000 1.087 62 H CA 1.225 57.212 56.048 -0.101 0.000 1.319 62 H CB -0.416 29.297 29.762 -0.083 0.000 1.379 62 H HN 0.151 nan 8.280 nan 0.000 0.501 63 I N 0.337 120.810 120.570 -0.161 0.000 2.315 63 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 63 I C 2.422 178.434 176.117 -0.174 0.000 1.117 63 I CA 0.973 62.158 61.300 -0.192 0.000 1.404 63 I CB -1.043 36.902 38.000 -0.092 0.000 1.071 63 I HN 0.357 nan 8.210 nan 0.000 0.419 64 L N 0.807 121.930 121.223 -0.166 0.000 2.093 64 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 64 L C 2.170 178.992 176.870 -0.081 0.000 1.085 64 L CA 1.738 56.509 54.840 -0.115 0.000 0.755 64 L CB -0.633 41.361 42.059 -0.107 0.000 0.904 64 L HN 0.332 nan 8.230 nan 0.000 0.435 65 D N -0.540 119.780 120.400 -0.134 0.000 2.234 65 D HA -0.202 4.438 4.640 -0.000 0.000 0.205 65 D C 2.138 178.353 176.300 -0.141 0.000 0.962 65 D CA 0.776 54.679 54.000 -0.161 0.000 0.855 65 D CB 0.005 40.699 40.800 -0.177 0.000 0.951 65 D HN -0.068 nan 8.370 nan 0.000 0.500 66 R N -0.856 119.530 120.500 -0.190 0.000 2.276 66 R HA 0.244 4.584 4.340 -0.000 0.000 0.203 66 R C 1.115 177.377 176.300 -0.064 0.000 1.017 66 R CA 0.263 56.269 56.100 -0.157 0.000 1.010 66 R CB -0.207 29.929 30.300 -0.274 0.000 0.900 66 R HN 0.189 nan 8.270 nan 0.000 0.469 67 L N -0.299 120.889 121.223 -0.057 0.000 2.607 67 L HA 0.417 4.757 4.340 -0.000 0.000 0.228 67 L C 0.129 177.009 176.870 0.017 0.000 1.123 67 L CA -0.114 54.712 54.840 -0.023 0.000 0.890 67 L CB -0.597 41.432 42.059 -0.050 0.000 1.103 67 L HN 0.007 nan 8.230 nan 0.000 0.468 68 A N -1.136 121.711 122.820 0.044 0.000 2.498 68 A HA 0.250 4.570 4.320 -0.000 0.000 0.239 68 A C 0.286 177.975 177.584 0.175 0.000 1.068 68 A CA -0.060 52.011 52.037 0.057 0.000 0.766 68 A CB -0.628 18.424 19.000 0.087 0.000 1.003 68 A HN 0.346 nan 8.150 nan 0.000 0.497 69 F N -0.763 119.258 119.950 0.118 0.000 3.074 69 F HA -0.202 4.325 4.527 -0.000 0.000 0.289 69 F C 1.001 176.810 175.800 0.016 0.000 0.863 69 F CA 1.365 59.388 58.000 0.039 0.000 1.121 69 F CB -1.687 37.342 39.000 0.048 0.000 1.169 69 F HN 0.597 nan 8.300 nan 0.000 0.570 70 K N 0.078 120.543 120.400 0.107 0.000 2.642 70 K HA 0.637 4.957 4.320 -0.000 0.000 0.273 70 K C 0.784 177.404 176.600 0.032 0.000 1.029 70 K CA 0.049 56.378 56.287 0.069 0.000 1.071 70 K CB 0.120 32.643 32.500 0.038 0.000 1.451 70 K HN 0.102 nan 8.250 nan 0.000 0.559 71 S N 0.338 116.045 115.700 0.012 0.000 2.568 71 S HA 0.161 4.631 4.470 -0.000 0.000 0.282 71 S C 0.419 175.004 174.600 -0.025 0.000 1.338 71 S CA -0.365 57.832 58.200 -0.005 0.000 1.045 71 S CB 0.054 63.247 63.200 -0.011 0.000 0.873 71 S HN 0.586 nan 8.310 nan 0.000 0.516 72 T N -0.959 113.575 114.554 -0.034 0.000 2.910 72 T HA 0.503 4.853 4.350 -0.000 0.000 0.287 72 T C 0.650 175.281 174.700 -0.116 0.000 1.050 72 T CA -0.906 61.163 62.100 -0.053 0.000 1.011 72 T CB 1.087 69.942 68.868 -0.022 0.000 1.195 72 T HN 0.448 nan 8.240 nan 0.000 0.540 73 E N 0.328 120.395 120.200 -0.222 0.000 2.160 73 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 73 E C 1.312 177.630 176.600 -0.470 0.000 0.991 73 E CA 1.698 57.846 56.400 -0.420 0.000 0.810 73 E CB -0.281 29.000 29.700 -0.698 0.000 0.742 73 E HN 0.832 nan 8.360 nan 0.000 0.466 74 H N -1.769 117.222 119.070 -0.130 0.000 2.755 74 H HA 0.272 4.828 4.556 -0.000 0.000 0.273 74 H C -0.425 174.859 175.328 -0.072 0.000 1.055 74 H CA -0.302 55.671 56.048 -0.126 0.000 1.191 74 H CB 1.129 30.783 29.762 -0.180 0.000 1.536 74 H HN -0.196 nan 8.280 nan 0.000 0.529 75 V N 1.747 121.671 119.914 0.017 0.000 2.567 75 V HA 0.089 4.209 4.120 -0.000 0.000 0.298 75 V C -0.244 175.849 176.094 -0.002 0.000 1.047 75 V CA -1.086 61.221 62.300 0.013 0.000 0.880 75 V CB 2.110 33.943 31.823 0.016 0.000 1.009 75 V HN 0.185 nan 8.190 nan 0.000 0.429 76 E N 2.408 122.607 120.200 -0.001 0.000 2.437 76 E HA 0.077 4.427 4.350 -0.000 0.000 0.263 76 E C 1.439 178.041 176.600 0.003 0.000 1.030 76 E CA 0.830 57.229 56.400 -0.002 0.000 0.934 76 E CB 1.278 30.977 29.700 -0.001 0.000 0.943 76 E HN 0.821 nan 8.360 nan 0.000 0.444 77 G N 3.332 112.135 108.800 0.005 0.000 2.476 77 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.218 77 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.218 77 G C 1.511 176.421 174.900 0.018 0.000 1.164 77 G CA 1.175 46.284 45.100 0.015 0.000 0.768 77 G HN 0.529 nan 8.290 nan 0.000 0.560 78 R N 0.559 121.067 120.500 0.012 0.000 2.073 78 R HA 0.004 4.344 4.340 -0.000 0.000 0.234 78 R C 2.882 179.186 176.300 0.007 0.000 1.134 78 R CA 1.572 57.679 56.100 0.011 0.000 0.952 78 R CB -0.429 29.876 30.300 0.008 0.000 0.850 78 R HN 0.302 nan 8.270 nan 0.000 0.433 79 A N 0.671 123.494 122.820 0.004 0.000 1.972 79 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 79 A C 2.066 179.646 177.584 -0.008 0.000 1.169 79 A CA 1.541 53.577 52.037 -0.001 0.000 0.635 79 A CB -0.469 18.530 19.000 -0.001 0.000 0.810 79 A HN 0.476 nan 8.150 nan 0.000 0.446 80 M N 0.379 119.978 119.600 -0.002 0.000 2.067 80 M HA -0.028 4.452 4.480 -0.000 0.000 0.260 80 M C 2.161 178.437 176.300 -0.039 0.000 1.069 80 M CA 1.981 57.276 55.300 -0.008 0.000 1.117 80 M CB -0.662 31.955 32.600 0.028 0.000 1.334 80 M HN 0.339 nan 8.290 nan 0.000 0.407 81 A N -0.430 122.385 122.820 -0.010 0.000 1.877 81 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 81 A C 2.073 179.648 177.584 -0.016 0.000 1.186 81 A CA 2.107 54.140 52.037 -0.007 0.000 0.620 81 A CB -0.977 18.041 19.000 0.030 0.000 0.822 81 A HN 0.696 nan 8.150 nan 0.000 0.443 82 E N -1.044 119.151 120.200 -0.009 0.000 2.106 82 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 82 E C 2.042 178.631 176.600 -0.018 0.000 0.984 82 E CA 1.474 57.871 56.400 -0.006 0.000 0.806 82 E CB -0.207 29.493 29.700 -0.001 0.000 0.750 82 E HN 0.597 nan 8.360 nan 0.000 0.458 83 T N 1.279 115.813 114.554 -0.033 0.000 2.821 83 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 83 T C 1.887 176.544 174.700 -0.072 0.000 1.046 83 T CA 0.692 62.767 62.100 -0.042 0.000 1.139 83 T CB -0.103 68.738 68.868 -0.045 0.000 0.871 83 T HN 0.083 nan 8.240 nan 0.000 0.454 84 L N 0.678 121.817 121.223 -0.139 0.000 2.083 84 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 84 L C 2.712 179.548 176.870 -0.058 0.000 1.083 84 L CA 1.293 55.991 54.840 -0.237 0.000 0.752 84 L CB -0.521 41.184 42.059 -0.589 0.000 0.899 84 L HN 0.342 nan 8.230 nan 0.000 0.433 85 E N 0.266 120.463 120.200 -0.004 0.000 2.051 85 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 85 E C 2.265 178.884 176.600 0.033 0.000 0.991 85 E CA 1.103 57.526 56.400 0.038 0.000 0.799 85 E CB -0.214 29.503 29.700 0.029 0.000 0.748 85 E HN 0.467 nan 8.360 nan 0.000 0.449 86 L N 0.797 122.031 121.223 0.018 0.000 2.353 86 L HA -0.142 4.198 4.340 -0.000 0.000 0.220 86 L C 2.023 178.925 176.870 0.053 0.000 1.133 86 L CA 0.549 55.406 54.840 0.029 0.000 0.798 86 L CB -0.188 41.880 42.059 0.016 0.000 0.922 86 L HN 0.157 nan 8.230 nan 0.000 0.445 87 L N -0.773 120.476 121.223 0.043 0.000 2.611 87 L HA 0.179 4.519 4.340 -0.000 0.000 0.229 87 L C 1.443 178.370 176.870 0.095 0.000 1.137 87 L CA 0.557 55.441 54.840 0.073 0.000 0.901 87 L CB -0.061 42.009 42.059 0.018 0.000 1.098 87 L HN 0.445 nan 8.230 nan 0.000 0.456 88 G N -0.863 107.991 108.800 0.090 0.000 2.218 88 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 88 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 88 G C 0.943 175.866 174.900 0.039 0.000 0.994 88 G CA -0.160 44.981 45.100 0.069 0.000 0.637 88 G HN 0.487 nan 8.290 nan 0.000 0.505 89 G N -0.204 108.652 108.800 0.093 0.000 2.233 89 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.270 89 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.270 89 G C 0.184 175.118 174.900 0.057 0.000 1.011 89 G CA 1.160 46.367 45.100 0.179 0.000 0.762 89 G HN 1.568 nan 8.290 nan 0.000 0.511 90 N N 0.209 118.929 118.700 0.034 0.000 3.234 90 N HA 0.519 5.259 4.740 -0.000 0.000 0.272 90 N C -0.365 175.126 175.510 -0.033 0.000 1.254 90 N CA -0.685 52.312 53.050 -0.089 0.000 1.087 90 N CB -0.122 38.286 38.487 -0.131 0.000 1.356 90 N HN 0.609 nan 8.380 nan 0.000 0.511 91 Y N -0.621 119.580 120.300 -0.164 0.000 2.581 91 Y HA 0.655 5.205 4.550 -0.000 0.000 0.345 91 Y C -1.035 174.774 175.900 -0.153 0.000 1.036 91 Y CA -1.203 56.786 58.100 -0.185 0.000 1.042 91 Y CB 0.970 39.207 38.460 -0.371 0.000 1.289 91 Y HN 0.273 nan 8.280 nan 0.000 0.471 92 Q N 1.369 121.163 119.800 -0.010 0.000 2.578 92 Q HA 0.627 4.967 4.340 -0.000 0.000 0.284 92 Q C -2.114 173.972 176.000 0.144 0.000 0.960 92 Q CA -0.922 54.871 55.803 -0.016 0.000 0.809 92 Q CB 2.050 30.718 28.738 -0.117 0.000 1.462 92 Q HN 1.069 nan 8.270 nan 0.000 0.392 93 C N 1.809 121.152 119.300 0.072 0.000 2.441 93 C HA 0.970 5.430 4.460 -0.000 0.000 0.318 93 C C -0.622 174.266 174.990 -0.169 0.000 1.222 93 C CA 0.680 59.602 59.018 -0.160 0.000 1.474 93 C CB 0.934 28.488 27.740 -0.309 0.000 2.125 93 C HN 0.918 nan 8.230 nan 0.000 0.479 94 T N 2.183 116.616 114.554 -0.202 0.000 2.843 94 T HA 0.890 5.240 4.350 -0.000 0.000 0.302 94 T C -0.664 173.963 174.700 -0.121 0.000 1.232 94 T CA -0.336 61.691 62.100 -0.121 0.000 1.009 94 T CB 1.508 70.336 68.868 -0.066 0.000 1.254 94 T HN 1.376 nan 8.240 nan 0.000 0.504 95 S N -0.160 115.501 115.700 -0.064 0.000 2.579 95 S HA 0.878 5.348 4.470 -0.000 0.000 0.272 95 S C -0.393 174.194 174.600 -0.022 0.000 1.141 95 S CA -0.508 57.668 58.200 -0.039 0.000 0.843 95 S CB 1.772 64.952 63.200 -0.034 0.000 1.122 95 S HN 1.155 nan 8.310 nan 0.000 0.468 96 S N -0.394 115.298 115.700 -0.014 0.000 3.605 96 S HA 0.498 4.968 4.470 -0.000 0.000 0.301 96 S C 0.674 175.233 174.600 -0.070 0.000 1.083 96 S CA -0.742 57.437 58.200 -0.035 0.000 1.109 96 S CB 0.609 63.812 63.200 0.005 0.000 1.364 96 S HN 0.737 nan 8.310 nan 0.000 0.758 97 R N 0.484 120.917 120.500 -0.111 0.000 2.119 97 R HA 0.212 4.552 4.340 -0.000 0.000 0.222 97 R C 1.026 177.200 176.300 -0.211 0.000 1.088 97 R CA 1.087 57.052 56.100 -0.224 0.000 0.984 97 R CB -0.086 29.984 30.300 -0.384 0.000 0.884 97 R HN 0.571 nan 8.270 nan 0.000 0.447 98 E N 0.293 120.450 120.200 -0.071 0.000 2.562 98 E HA 0.072 4.422 4.350 -0.000 0.000 0.214 98 E C -0.505 176.164 176.600 0.115 0.000 0.979 98 E CA -0.197 56.209 56.400 0.011 0.000 1.002 98 E CB 0.564 30.314 29.700 0.083 0.000 1.048 98 E HN 0.327 nan 8.360 nan 0.000 0.488 99 N N 0.703 119.454 118.700 0.085 0.000 2.525 99 N HA 0.350 5.090 4.740 -0.000 0.000 0.270 99 N C -1.494 174.048 175.510 0.052 0.000 1.321 99 N CA -0.761 52.345 53.050 0.093 0.000 0.797 99 N CB 2.336 40.888 38.487 0.107 0.000 1.529 99 N HN -0.086 nan 8.380 nan 0.000 0.491 100 L N 0.823 122.068 121.223 0.036 0.000 2.541 100 L HA 0.557 4.897 4.340 -0.000 0.000 0.266 100 L C -1.319 175.505 176.870 -0.077 0.000 0.966 100 L CA -0.356 54.465 54.840 -0.032 0.000 0.871 100 L CB 1.204 43.267 42.059 0.007 0.000 1.232 100 L HN 0.791 nan 8.230 nan 0.000 0.408 101 M N 3.016 122.501 119.600 -0.192 0.000 2.501 101 M HA 0.579 5.059 4.480 -0.000 0.000 0.293 101 M C -1.856 174.223 176.300 -0.367 0.000 1.192 101 M CA -0.690 54.446 55.300 -0.274 0.000 0.886 101 M CB 2.372 34.806 32.600 -0.278 0.000 1.710 101 M HN 0.411 nan 8.290 nan 0.000 0.457 102 Y N 1.218 121.340 120.300 -0.296 0.000 2.334 102 Y HA 0.560 5.110 4.550 -0.000 0.000 0.336 102 Y C -0.437 175.385 175.900 -0.130 0.000 0.960 102 Y CA -0.408 57.639 58.100 -0.087 0.000 1.164 102 Y CB 1.631 40.047 38.460 -0.074 0.000 1.155 102 Y HN 0.660 nan 8.280 nan 0.000 0.478 103 Q N 2.029 121.891 119.800 0.103 0.000 2.451 103 Q HA 0.972 5.312 4.340 -0.000 0.000 0.281 103 Q C -1.348 174.720 176.000 0.113 0.000 1.099 103 Q CA -1.527 54.312 55.803 0.061 0.000 0.806 103 Q CB 3.250 32.010 28.738 0.036 0.000 1.419 103 Q HN 0.709 nan 8.270 nan 0.000 0.427 104 A N 0.761 123.637 122.820 0.092 0.000 2.599 104 A HA 0.684 5.004 4.320 -0.000 0.000 0.294 104 A C -1.381 176.247 177.584 0.073 0.000 1.055 104 A CA -0.648 51.438 52.037 0.081 0.000 0.683 104 A CB 1.619 20.680 19.000 0.101 0.000 1.278 104 A HN 0.687 nan 8.150 nan 0.000 0.412 105 S N 0.156 115.875 115.700 0.032 0.000 2.473 105 S HA 0.859 5.329 4.470 -0.000 0.000 0.307 105 S C -0.192 174.358 174.600 -0.083 0.000 1.094 105 S CA 0.021 58.249 58.200 0.047 0.000 1.070 105 S CB 0.970 64.197 63.200 0.045 0.000 1.019 105 S HN 2.248 nan 8.310 nan 0.000 0.480 106 V N -0.377 119.518 119.914 -0.032 0.000 3.181 106 V HA 0.763 4.883 4.120 -0.000 0.000 0.308 106 V C -0.889 175.145 176.094 -0.100 0.000 1.214 106 V CA -1.446 60.782 62.300 -0.120 0.000 1.053 106 V CB 0.691 32.538 31.823 0.040 0.000 1.069 106 V HN 0.764 nan 8.190 nan 0.000 0.441 107 F N 2.019 122.035 119.950 0.110 0.000 2.506 107 F HA 0.367 4.894 4.527 -0.000 0.000 0.351 107 F C 1.951 177.846 175.800 0.158 0.000 1.136 107 F CA 0.103 58.194 58.000 0.152 0.000 1.298 107 F CB 0.197 39.254 39.000 0.095 0.000 1.145 107 F HN 0.588 nan 8.300 nan 0.000 0.593 108 N N 1.377 120.290 118.700 0.355 0.000 2.096 108 N HA -0.236 4.504 4.740 -0.000 0.000 0.195 108 N C 1.843 177.466 175.510 0.187 0.000 1.017 108 N CA 1.621 54.810 53.050 0.233 0.000 0.870 108 N CB -0.347 38.253 38.487 0.189 0.000 1.024 108 N HN 0.669 nan 8.380 nan 0.000 0.434 109 Q N 0.297 120.209 119.800 0.187 0.000 2.436 109 Q HA -0.048 4.292 4.340 -0.000 0.000 0.209 109 Q C -0.164 175.918 176.000 0.135 0.000 0.965 109 Q CA 1.063 56.946 55.803 0.134 0.000 0.910 109 Q CB 0.037 28.837 28.738 0.102 0.000 0.980 109 Q HN 0.254 nan 8.270 nan 0.000 0.491 110 D N 0.710 121.212 120.400 0.170 0.000 2.340 110 D HA 0.093 4.733 4.640 -0.000 0.000 0.217 110 D C 1.662 178.046 176.300 0.140 0.000 1.081 110 D CA -0.018 54.069 54.000 0.146 0.000 0.842 110 D CB 0.612 41.510 40.800 0.163 0.000 0.934 110 D HN 0.028 nan 8.370 nan 0.000 0.511 111 V N 1.070 121.082 119.914 0.163 0.000 2.282 111 V HA -0.222 3.898 4.120 -0.000 0.000 0.249 111 V C 2.618 178.829 176.094 0.196 0.000 1.057 111 V CA 2.274 64.692 62.300 0.197 0.000 1.032 111 V CB -0.887 31.070 31.823 0.222 0.000 0.645 111 V HN 0.284 nan 8.190 nan 0.000 0.447 112 G N -0.408 108.498 108.800 0.176 0.000 2.418 112 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.217 112 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.217 112 G C 1.604 176.580 174.900 0.126 0.000 1.158 112 G CA 1.216 46.448 45.100 0.220 0.000 0.771 112 G HN 0.462 nan 8.290 nan 0.000 0.545 113 K N -0.137 120.310 120.400 0.078 0.000 2.057 113 K HA 0.008 4.328 4.320 -0.000 0.000 0.207 113 K C 2.365 178.938 176.600 -0.045 0.000 1.049 113 K CA 1.396 57.683 56.287 0.001 0.000 0.931 113 K CB -0.401 32.113 32.500 0.024 0.000 0.714 113 K HN 0.256 nan 8.250 nan 0.000 0.440 114 M N 0.057 119.663 119.600 0.010 0.000 2.117 114 M HA -0.035 4.445 4.480 -0.000 0.000 0.262 114 M C 1.709 178.008 176.300 -0.002 0.000 1.065 114 M CA 1.297 56.599 55.300 0.005 0.000 1.114 114 M CB -0.492 32.136 32.600 0.046 0.000 1.361 114 M HN 0.250 nan 8.290 nan 0.000 0.408 115 L N 0.195 121.435 121.223 0.028 0.000 2.083 115 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 115 L C 2.380 179.122 176.870 -0.213 0.000 1.083 115 L CA 2.102 56.958 54.840 0.027 0.000 0.752 115 L CB -1.078 41.119 42.059 0.229 0.000 0.899 115 L HN 0.623 nan 8.230 nan 0.000 0.433 116 Q N -0.748 118.742 119.800 -0.516 0.000 2.020 116 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 116 Q C 2.252 178.048 176.000 -0.339 0.000 0.982 116 Q CA 2.164 57.453 55.803 -0.857 0.000 0.838 116 Q CB -0.219 27.986 28.738 -0.889 0.000 0.899 116 Q HN 0.606 nan 8.270 nan 0.000 0.423 117 L N -0.051 121.065 121.223 -0.179 0.000 2.012 117 L HA -0.232 4.107 4.340 -0.000 0.000 0.210 117 L C 2.725 179.576 176.870 -0.032 0.000 1.073 117 L CA 1.279 56.089 54.840 -0.050 0.000 0.748 117 L CB -0.466 41.597 42.059 0.007 0.000 0.891 117 L HN 0.394 nan 8.230 nan 0.000 0.431 118 M N -0.184 119.408 119.600 -0.013 0.000 2.080 118 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 118 M C 2.503 178.626 176.300 -0.295 0.000 1.068 118 M CA 2.318 57.549 55.300 -0.114 0.000 1.109 118 M CB -0.420 32.154 32.600 -0.044 0.000 1.342 118 M HN 0.364 nan 8.290 nan 0.000 0.405 119 S N -0.617 114.950 115.700 -0.222 0.000 2.453 119 S HA -0.043 4.427 4.470 -0.000 0.000 0.231 119 S C 1.652 176.111 174.600 -0.234 0.000 1.005 119 S CA 0.592 58.632 58.200 -0.267 0.000 0.949 119 S CB -0.322 62.794 63.200 -0.140 0.000 0.774 119 S HN 0.383 nan 8.310 nan 0.000 0.510 120 E N 1.406 121.539 120.200 -0.111 0.000 2.072 120 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 120 E C 2.148 178.688 176.600 -0.100 0.000 0.985 120 E CA 1.367 57.793 56.400 0.042 0.000 0.801 120 E CB -0.692 29.036 29.700 0.046 0.000 0.750 120 E HN 0.558 nan 8.360 nan 0.000 0.452 121 T N 0.002 114.410 114.554 -0.243 0.000 3.023 121 T HA -0.006 4.344 4.350 -0.000 0.000 0.266 121 T C 1.749 176.212 174.700 -0.394 0.000 1.093 121 T CA 0.436 62.343 62.100 -0.322 0.000 1.129 121 T CB 0.153 68.712 68.868 -0.517 0.000 0.899 121 T HN -0.098 nan 8.240 nan 0.000 0.491 122 V N 0.516 120.128 119.914 -0.503 0.000 2.878 122 V HA 0.200 4.320 4.120 -0.000 0.000 0.250 122 V C 2.463 178.282 176.094 -0.459 0.000 1.075 122 V CA 1.191 63.218 62.300 -0.455 0.000 1.096 122 V CB -0.231 31.231 31.823 -0.601 0.000 0.724 122 V HN 0.327 nan 8.190 nan 0.000 0.467 123 R N -1.693 118.398 120.500 -0.681 0.000 2.250 123 R HA 0.233 4.573 4.340 -0.000 0.000 0.194 123 R C 0.395 176.052 176.300 -1.071 0.000 0.927 123 R CA 0.383 55.838 56.100 -1.075 0.000 1.052 123 R CB 0.453 29.743 30.300 -1.683 0.000 1.055 123 R HN 0.449 nan 8.270 nan 0.000 0.537 124 F N 1.415 121.216 119.950 -0.247 0.000 2.790 124 F HA 0.311 4.838 4.527 -0.000 0.000 0.371 124 F C -2.261 173.412 175.800 -0.211 0.000 1.293 124 F CA -2.541 55.324 58.000 -0.225 0.000 1.205 124 F CB 0.712 39.547 39.000 -0.275 0.000 1.047 124 F HN -0.225 nan 8.300 nan 0.000 0.510 125 P HA 0.059 nan 4.420 nan 0.000 0.268 125 P C 0.377 177.636 177.300 -0.068 0.000 1.204 125 P CA 0.096 63.140 63.100 -0.093 0.000 0.768 125 P CB 1.637 33.252 31.700 -0.141 0.000 0.842 126 K N 2.327 122.694 120.400 -0.055 0.000 2.098 126 K HA 0.096 4.416 4.320 -0.000 0.000 0.203 126 K C 0.743 177.316 176.600 -0.045 0.000 1.051 126 K CA 0.269 56.528 56.287 -0.047 0.000 0.957 126 K CB -0.334 32.141 32.500 -0.042 0.000 0.738 126 K HN 0.469 nan 8.250 nan 0.000 0.447 127 I N 3.071 123.615 120.570 -0.045 0.000 7.316 127 I HA -0.255 3.915 4.170 -0.000 0.000 0.126 127 I C 0.260 176.362 176.117 -0.026 0.000 1.806 127 I CA 0.203 61.479 61.300 -0.040 0.000 2.125 127 I CB -1.881 36.087 38.000 -0.053 0.000 3.572 127 I HN 0.341 nan 8.210 nan 0.000 0.196 128 T N -1.079 113.463 114.554 -0.020 0.000 2.828 128 T HA 0.257 4.607 4.350 -0.000 0.000 0.290 128 T C 1.233 175.928 174.700 -0.008 0.000 1.019 128 T CA -0.232 61.860 62.100 -0.013 0.000 1.031 128 T CB 1.759 70.620 68.868 -0.011 0.000 1.001 128 T HN 0.478 nan 8.240 nan 0.000 0.531 129 E N 0.214 120.411 120.200 -0.004 0.000 2.070 129 E HA -0.278 4.072 4.350 -0.000 0.000 0.197 129 E C 2.203 178.803 176.600 -0.001 0.000 1.004 129 E CA 1.625 58.025 56.400 -0.000 0.000 0.805 129 E CB -0.128 29.573 29.700 0.001 0.000 0.744 129 E HN 0.808 nan 8.360 nan 0.000 0.451 130 Q N 0.698 120.498 119.800 -0.001 0.000 2.061 130 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 130 Q C 1.960 177.960 176.000 -0.001 0.000 0.984 130 Q CA 1.619 57.422 55.803 0.000 0.000 0.846 130 Q CB 0.065 28.804 28.738 0.002 0.000 0.902 130 Q HN 0.298 nan 8.270 nan 0.000 0.421 131 E N 0.128 120.327 120.200 -0.002 0.000 2.058 131 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 131 E C 2.019 178.614 176.600 -0.009 0.000 0.997 131 E CA 1.197 57.595 56.400 -0.004 0.000 0.801 131 E CB -0.163 29.533 29.700 -0.006 0.000 0.746 131 E HN 0.250 nan 8.360 nan 0.000 0.450 132 L N 1.186 122.402 121.223 -0.011 0.000 2.046 132 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 132 L C 2.318 179.182 176.870 -0.010 0.000 1.077 132 L CA 1.770 56.602 54.840 -0.012 0.000 0.747 132 L CB -0.476 41.580 42.059 -0.005 0.000 0.896 132 L HN 0.007 nan 8.230 nan 0.000 0.432 133 Q N 0.116 119.912 119.800 -0.006 0.000 2.084 133 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 133 Q C 2.122 178.114 176.000 -0.013 0.000 0.978 133 Q CA 1.991 57.789 55.803 -0.008 0.000 0.844 133 Q CB -0.161 28.575 28.738 -0.004 0.000 0.898 133 Q HN 0.652 nan 8.270 nan 0.000 0.426 134 E N -0.736 119.459 120.200 -0.007 0.000 2.031 134 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 134 E C 2.003 178.595 176.600 -0.012 0.000 0.994 134 E CA 1.172 57.570 56.400 -0.004 0.000 0.800 134 E CB 0.012 29.715 29.700 0.005 0.000 0.752 134 E HN 0.326 nan 8.360 nan 0.000 0.447 135 Q N 0.773 120.562 119.800 -0.019 0.000 2.124 135 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 135 Q C 1.911 177.890 176.000 -0.034 0.000 0.977 135 Q CA 1.239 57.022 55.803 -0.033 0.000 0.850 135 Q CB -0.160 28.545 28.738 -0.054 0.000 0.901 135 Q HN 0.208 nan 8.270 nan 0.000 0.429 136 K N 0.175 120.557 120.400 -0.031 0.000 2.025 136 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 136 K C 2.044 178.604 176.600 -0.067 0.000 1.049 136 K CA 0.818 57.086 56.287 -0.032 0.000 0.933 136 K CB -0.254 32.232 32.500 -0.022 0.000 0.714 136 K HN 0.051 nan 8.250 nan 0.000 0.438 137 L N 0.970 122.144 121.223 -0.081 0.000 2.012 137 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 137 L C 2.270 179.007 176.870 -0.221 0.000 1.073 137 L CA 1.882 56.627 54.840 -0.159 0.000 0.748 137 L CB -0.965 41.034 42.059 -0.101 0.000 0.891 137 L HN 0.074 nan 8.230 nan 0.000 0.431 138 S N -0.794 114.857 115.700 -0.081 0.000 2.382 138 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 138 S C 2.147 176.755 174.600 0.013 0.000 1.027 138 S CA 1.119 59.317 58.200 -0.003 0.000 0.991 138 S CB -0.475 62.745 63.200 0.032 0.000 0.823 138 S HN 0.673 nan 8.310 nan 0.000 0.469 139 A N 1.133 123.957 122.820 0.007 0.000 1.972 139 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 139 A C 1.979 179.583 177.584 0.032 0.000 1.169 139 A CA 1.560 53.644 52.037 0.079 0.000 0.635 139 A CB -0.641 18.424 19.000 0.108 0.000 0.810 139 A HN 0.722 nan 8.150 nan 0.000 0.446 140 E N -1.127 119.028 120.200 -0.076 0.000 2.051 140 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 140 E C 1.827 178.435 176.600 0.013 0.000 0.991 140 E CA 1.527 57.871 56.400 -0.094 0.000 0.799 140 E CB -0.347 29.204 29.700 -0.248 0.000 0.748 140 E HN 0.767 nan 8.360 nan 0.000 0.449 141 Y N 1.174 121.504 120.300 0.049 0.000 2.200 141 Y HA -0.139 4.411 4.550 -0.000 0.000 0.290 141 Y C 2.287 178.215 175.900 0.047 0.000 1.137 141 Y CA 0.838 58.965 58.100 0.045 0.000 1.163 141 Y CB -0.653 37.827 38.460 0.033 0.000 0.988 141 Y HN 0.115 nan 8.280 nan 0.000 0.518 142 E N 0.071 120.388 120.200 0.194 0.000 2.058 142 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 142 E C 1.960 178.608 176.600 0.081 0.000 0.997 142 E CA 1.489 57.960 56.400 0.118 0.000 0.801 142 E CB -0.218 29.549 29.700 0.113 0.000 0.746 142 E HN 0.295 nan 8.360 nan 0.000 0.450 143 I N 1.905 122.529 120.570 0.091 0.000 2.226 143 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 143 I C 1.846 178.108 176.117 0.240 0.000 1.100 143 I CA 1.300 62.669 61.300 0.114 0.000 1.374 143 I CB -0.377 37.715 38.000 0.153 0.000 1.057 143 I HN 0.083 nan 8.210 nan 0.000 0.413 144 D N 0.341 120.877 120.400 0.227 0.000 2.149 144 D HA -0.190 4.450 4.640 -0.000 0.000 0.198 144 D C 2.157 178.577 176.300 0.199 0.000 0.990 144 D CA 1.184 55.325 54.000 0.235 0.000 0.839 144 D CB -0.161 40.762 40.800 0.205 0.000 0.948 144 D HN 0.456 nan 8.370 nan 0.000 0.460 145 E N 0.110 120.391 120.200 0.136 0.000 2.047 145 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 145 E C 2.319 178.950 176.600 0.051 0.000 0.987 145 E CA 0.445 56.893 56.400 0.080 0.000 0.799 145 E CB 0.081 29.809 29.700 0.046 0.000 0.752 145 E HN 0.016 nan 8.360 nan 0.000 0.449 146 V N 0.329 120.241 119.914 -0.003 0.000 2.380 146 V HA -0.251 3.869 4.120 -0.000 0.000 0.251 146 V C 1.485 177.493 176.094 -0.143 0.000 1.063 146 V CA 1.705 63.929 62.300 -0.126 0.000 1.055 146 V CB -0.523 31.145 31.823 -0.258 0.000 0.657 146 V HN 0.443 nan 8.190 nan 0.000 0.455 147 W N -0.980 120.312 121.300 -0.013 0.000 2.961 147 W HA 0.065 4.725 4.660 0.000 0.000 0.240 147 W C 2.023 178.550 176.519 0.014 0.000 1.305 147 W CA 0.404 57.745 57.345 -0.007 0.000 1.465 147 W CB -0.251 29.208 29.460 -0.002 0.000 1.135 147 W HN 0.254 nan 8.180 nan 0.000 0.688 148 M N -0.672 119.043 119.600 0.191 0.000 2.333 148 M HA 0.110 4.590 4.480 -0.000 0.000 0.257 148 M C 0.071 176.431 176.300 0.101 0.000 1.078 148 M CA 0.545 55.947 55.300 0.170 0.000 1.005 148 M CB 0.336 33.023 32.600 0.143 0.000 1.444 148 M HN -0.336 nan 8.290 nan 0.000 0.496 149 K N 1.063 121.480 120.400 0.029 0.000 2.347 149 K HA 0.270 4.590 4.320 -0.000 0.000 0.262 149 K C -2.164 174.398 176.600 -0.063 0.000 1.052 149 K CA -1.619 54.656 56.287 -0.021 0.000 0.946 149 K CB 1.250 33.718 32.500 -0.054 0.000 1.220 149 K HN -0.216 nan 8.250 nan 0.000 0.450 150 P HA -0.225 nan 4.420 nan 0.000 0.216 150 P C 0.317 177.512 177.300 -0.175 0.000 1.150 150 P CA 1.312 64.301 63.100 -0.185 0.000 0.843 150 P CB 0.298 31.759 31.700 -0.399 0.000 0.787 151 E N -0.778 119.349 120.200 -0.122 0.000 2.209 151 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 151 E C 1.797 178.333 176.600 -0.107 0.000 0.993 151 E CA 0.996 57.342 56.400 -0.091 0.000 0.819 151 E CB -0.957 28.710 29.700 -0.054 0.000 0.745 151 E HN 0.304 nan 8.360 nan 0.000 0.477 152 L N -0.565 120.575 121.223 -0.138 0.000 2.286 152 L HA 0.040 4.380 4.340 -0.000 0.000 0.203 152 L C 2.167 178.891 176.870 -0.243 0.000 1.068 152 L CA 0.148 54.877 54.840 -0.185 0.000 0.811 152 L CB -0.226 41.708 42.059 -0.209 0.000 0.989 152 L HN 0.014 nan 8.230 nan 0.000 0.467 153 V N 0.373 120.139 119.914 -0.246 0.000 2.295 153 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 153 V C 2.549 178.543 176.094 -0.167 0.000 1.049 153 V CA 1.387 63.526 62.300 -0.269 0.000 1.024 153 V CB -0.378 31.359 31.823 -0.144 0.000 0.648 153 V HN 0.273 nan 8.190 nan 0.000 0.447 154 L N -0.145 121.000 121.223 -0.129 0.000 1.989 154 L HA -0.122 4.218 4.340 -0.000 0.000 0.211 154 L C 0.329 177.138 176.870 -0.101 0.000 1.071 154 L CA 2.632 57.415 54.840 -0.094 0.000 0.749 154 L CB -2.745 39.260 42.059 -0.090 0.000 0.890 154 L HN 0.349 nan 8.230 nan 0.000 0.431 155 P HA -0.177 nan 4.420 nan 0.000 0.218 155 P C 1.465 178.725 177.300 -0.065 0.000 1.148 155 P CA 1.143 64.181 63.100 -0.104 0.000 0.822 155 P CB 0.158 31.796 31.700 -0.102 0.000 0.784 156 E N 0.165 120.272 120.200 -0.155 0.000 2.051 156 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 156 E C 1.866 178.426 176.600 -0.067 0.000 0.991 156 E CA 1.249 57.542 56.400 -0.179 0.000 0.799 156 E CB -1.249 28.277 29.700 -0.291 0.000 0.748 156 E HN 0.106 nan 8.360 nan 0.000 0.449 157 L N 0.141 121.334 121.223 -0.051 0.000 2.083 157 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 157 L C 2.562 179.421 176.870 -0.019 0.000 1.083 157 L CA 0.855 55.689 54.840 -0.010 0.000 0.752 157 L CB -0.595 41.463 42.059 -0.003 0.000 0.899 157 L HN 0.261 nan 8.230 nan 0.000 0.433 158 L N -0.433 120.770 121.223 -0.034 0.000 1.989 158 L HA -0.262 4.078 4.340 -0.000 0.000 0.211 158 L C 2.503 179.339 176.870 -0.057 0.000 1.071 158 L CA 2.008 56.805 54.840 -0.071 0.000 0.749 158 L CB -0.541 41.426 42.059 -0.154 0.000 0.890 158 L HN 0.188 nan 8.230 nan 0.000 0.431 159 H N -1.271 117.744 119.070 -0.092 0.000 2.357 159 H HA -0.096 4.460 4.556 -0.000 0.000 0.301 159 H C 2.148 177.500 175.328 0.040 0.000 1.082 159 H CA 1.918 57.970 56.048 0.006 0.000 1.342 159 H CB -0.674 29.046 29.762 -0.071 0.000 1.389 159 H HN 0.344 nan 8.280 nan 0.000 0.511 160 T N -0.006 114.610 114.554 0.103 0.000 2.720 160 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 160 T C 2.267 176.967 174.700 0.000 0.000 1.037 160 T CA 1.297 63.425 62.100 0.047 0.000 1.144 160 T CB -0.421 68.460 68.868 0.022 0.000 0.864 160 T HN 0.499 nan 8.240 nan 0.000 0.444 161 A N 0.998 123.791 122.820 -0.044 0.000 1.970 161 A HA 0.429 4.749 4.320 -0.000 0.000 0.216 161 A C 2.568 180.019 177.584 -0.222 0.000 1.170 161 A CA 1.281 53.253 52.037 -0.109 0.000 0.645 161 A CB -0.784 18.150 19.000 -0.109 0.000 0.816 161 A HN 0.475 nan 8.150 nan 0.000 0.447 162 A N -1.610 121.047 122.820 -0.272 0.000 2.015 162 A HA 0.022 4.342 4.320 -0.000 0.000 0.219 162 A C 1.458 178.482 177.584 -0.932 0.000 1.163 162 A CA 1.276 52.929 52.037 -0.640 0.000 0.646 162 A CB -0.501 18.178 19.000 -0.535 0.000 0.806 162 A HN 0.612 nan 8.150 nan 0.000 0.448 163 Y N -1.231 118.949 120.300 -0.199 0.000 2.682 163 Y HA 0.285 4.835 4.550 -0.000 0.000 0.251 163 Y C 0.911 176.742 175.900 -0.116 0.000 1.172 163 Y CA 0.045 58.054 58.100 -0.150 0.000 1.186 163 Y CB 0.100 38.509 38.460 -0.084 0.000 1.216 163 Y HN 0.163 nan 8.280 nan 0.000 0.540 164 S N 0.593 116.272 115.700 -0.035 0.000 3.631 164 S HA -0.200 4.270 4.470 -0.000 0.000 0.366 164 S C 1.582 176.185 174.600 0.006 0.000 0.993 164 S CA 0.975 59.158 58.200 -0.028 0.000 1.167 164 S CB -1.625 61.553 63.200 -0.038 0.000 0.909 164 S HN 1.212 nan 8.310 nan 0.000 0.478 165 G N -0.503 108.310 108.800 0.021 0.000 2.196 165 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.268 165 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.268 165 G C -0.219 174.680 174.900 -0.001 0.000 0.975 165 G CA 0.723 45.829 45.100 0.010 0.000 0.648 165 G HN 0.626 nan 8.290 nan 0.000 0.538 166 E N 0.301 120.508 120.200 0.013 0.000 2.214 166 E HA 0.529 4.879 4.350 -0.000 0.000 0.274 166 E C 1.482 178.026 176.600 -0.093 0.000 0.977 166 E CA 0.392 56.780 56.400 -0.020 0.000 0.827 166 E CB 1.380 31.084 29.700 0.007 0.000 1.130 166 E HN 0.861 nan 8.360 nan 0.000 0.394 167 T N -0.106 114.359 114.554 -0.147 0.000 13.579 167 T HA -0.393 3.957 4.350 -0.000 0.000 0.417 167 T C 1.612 176.076 174.700 -0.393 0.000 1.443 167 T CA 1.777 63.710 62.100 -0.279 0.000 2.337 167 T CB -1.212 67.481 68.868 -0.291 0.000 2.774 167 T HN 0.470 nan 8.240 nan 0.000 0.496 168 L N 2.079 122.944 121.223 -0.597 0.000 2.349 168 L HA 0.135 4.475 4.340 -0.000 0.000 0.220 168 L C 2.844 179.477 176.870 -0.395 0.000 1.130 168 L CA 1.527 55.931 54.840 -0.727 0.000 0.791 168 L CB -0.764 40.567 42.059 -1.213 0.000 0.918 168 L HN 0.871 nan 8.230 nan 0.000 0.444 169 G N -1.839 106.834 108.800 -0.211 0.000 3.159 169 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.232 169 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.232 169 G C 0.530 175.406 174.900 -0.039 0.000 1.116 169 G CA -0.098 45.025 45.100 0.038 0.000 0.767 169 G HN 0.165 nan 8.290 nan 0.000 0.547 170 S N 1.588 117.221 115.700 -0.112 0.000 2.533 170 S HA 0.357 4.827 4.470 -0.000 0.000 0.282 170 S C -2.322 172.215 174.600 -0.105 0.000 1.304 170 S CA -1.122 57.024 58.200 -0.091 0.000 1.063 170 S CB 0.736 63.871 63.200 -0.108 0.000 0.881 170 S HN -0.028 nan 8.310 nan 0.000 0.493 171 P HA -0.086 nan 4.420 nan 0.000 0.255 171 P C 0.366 177.591 177.300 -0.125 0.000 1.151 171 P CA 0.163 63.215 63.100 -0.080 0.000 0.767 171 P CB 0.247 31.929 31.700 -0.030 0.000 0.736 172 L N 5.465 126.579 121.223 -0.181 0.000 2.270 172 L HA 0.173 4.513 4.340 -0.000 0.000 0.210 172 L C 0.673 177.413 176.870 -0.217 0.000 1.104 172 L CA 1.163 55.877 54.840 -0.211 0.000 0.804 172 L CB -0.156 41.737 42.059 -0.276 0.000 0.937 172 L HN 0.237 nan 8.230 nan 0.000 0.450 173 I N 0.289 120.727 120.570 -0.220 0.000 2.304 173 I HA 0.107 4.277 4.170 -0.000 0.000 0.291 173 I C -0.061 175.995 176.117 -0.102 0.000 1.018 173 I CA -0.624 60.535 61.300 -0.236 0.000 1.260 173 I CB 0.860 38.643 38.000 -0.362 0.000 1.390 173 I HN 0.013 nan 8.210 nan 0.000 0.475 174 C N 9.216 128.454 119.300 -0.103 0.000 2.648 174 C HA 0.238 4.698 4.460 -0.000 0.000 0.415 174 C C -1.858 173.165 174.990 0.054 0.000 1.366 174 C CA -1.187 57.817 59.018 -0.024 0.000 1.756 174 C CB -0.374 27.350 27.740 -0.027 0.000 2.549 174 C HN 0.512 nan 8.230 nan 0.000 0.597 175 P HA 0.060 nan 4.420 nan 0.000 0.262 175 P C 0.784 178.118 177.300 0.057 0.000 1.182 175 P CA 0.417 63.567 63.100 0.084 0.000 0.761 175 P CB 0.314 32.038 31.700 0.041 0.000 0.795 176 R N 3.065 123.602 120.500 0.061 0.000 2.112 176 R HA -0.168 4.172 4.340 -0.000 0.000 0.242 176 R C 2.234 178.538 176.300 0.007 0.000 1.137 176 R CA 2.195 58.315 56.100 0.033 0.000 0.944 176 R CB -1.051 29.258 30.300 0.015 0.000 0.857 176 R HN 0.685 nan 8.270 nan 0.000 0.435 177 G N -0.007 108.791 108.800 -0.004 0.000 2.535 177 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.218 177 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.218 177 G C 1.237 176.133 174.900 -0.006 0.000 1.122 177 G CA 0.239 45.333 45.100 -0.009 0.000 0.769 177 G HN 0.228 nan 8.290 nan 0.000 0.549 178 L N -0.139 121.083 121.223 -0.003 0.000 2.567 178 L HA 0.308 4.648 4.340 -0.000 0.000 0.225 178 L C 2.401 179.269 176.870 -0.004 0.000 1.119 178 L CA -0.151 54.684 54.840 -0.009 0.000 0.871 178 L CB -0.008 42.041 42.059 -0.016 0.000 1.036 178 L HN 0.183 nan 8.230 nan 0.000 0.459 179 I N 0.976 121.548 120.570 0.003 0.000 2.202 179 I HA -0.156 4.014 4.170 -0.000 0.000 0.242 179 I C -0.362 175.760 176.117 0.008 0.000 1.091 179 I CA 1.253 62.558 61.300 0.008 0.000 1.368 179 I CB -0.970 37.034 38.000 0.007 0.000 1.058 179 I HN 0.197 nan 8.210 nan 0.000 0.410 180 P HA -0.116 nan 4.420 nan 0.000 0.225 180 P C 1.273 178.591 177.300 0.030 0.000 1.148 180 P CA 1.238 64.343 63.100 0.009 0.000 0.779 180 P CB -0.101 31.599 31.700 -0.000 0.000 0.780 181 S N -1.843 113.878 115.700 0.035 0.000 2.605 181 S HA 0.133 4.603 4.470 -0.000 0.000 0.217 181 S C 0.684 175.353 174.600 0.116 0.000 0.958 181 S CA -0.318 57.924 58.200 0.069 0.000 0.919 181 S CB -0.970 62.261 63.200 0.051 0.000 0.780 181 S HN 0.013 nan 8.310 nan 0.000 0.507 182 I N 4.065 124.686 120.570 0.084 0.000 2.406 182 I HA 0.131 4.301 4.170 -0.000 0.000 0.293 182 I C 0.611 176.828 176.117 0.167 0.000 1.101 182 I CA -0.240 61.132 61.300 0.118 0.000 1.334 182 I CB 0.351 38.384 38.000 0.054 0.000 1.421 182 I HN 0.361 nan 8.210 nan 0.000 0.513 183 S N 5.100 120.980 115.700 0.299 0.000 2.722 183 S HA 0.328 4.798 4.470 -0.000 0.000 0.292 183 S C 0.928 175.620 174.600 0.154 0.000 1.135 183 S CA -0.898 57.427 58.200 0.209 0.000 1.003 183 S CB 2.073 65.405 63.200 0.220 0.000 1.067 183 S HN 0.664 nan 8.310 nan 0.000 0.546 184 K N -0.127 120.326 120.400 0.088 0.000 2.063 184 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 184 K C 1.922 178.536 176.600 0.022 0.000 1.048 184 K CA 1.633 57.945 56.287 0.042 0.000 0.928 184 K CB -0.569 31.945 32.500 0.024 0.000 0.713 184 K HN 0.746 nan 8.250 nan 0.000 0.442 185 Y N 0.186 120.442 120.300 -0.072 0.000 2.114 185 Y HA -0.340 4.210 4.550 0.000 0.000 0.282 185 Y C 1.665 177.475 175.900 -0.149 0.000 1.165 185 Y CA 2.045 60.049 58.100 -0.160 0.000 1.148 185 Y CB -0.432 37.850 38.460 -0.296 0.000 0.972 185 Y HN 0.113 nan 8.280 nan 0.000 0.504 186 Y N -0.020 120.270 120.300 -0.017 0.000 2.242 186 Y HA -0.175 4.375 4.550 -0.000 0.000 0.291 186 Y C 2.340 178.209 175.900 -0.052 0.000 1.137 186 Y CA 1.474 59.543 58.100 -0.051 0.000 1.181 186 Y CB -0.657 37.876 38.460 0.122 0.000 0.989 186 Y HN 0.156 nan 8.280 nan 0.000 0.527 187 L N -0.937 120.345 121.223 0.097 0.000 2.093 187 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 187 L C 2.122 178.982 176.870 -0.016 0.000 1.085 187 L CA 1.034 55.892 54.840 0.031 0.000 0.755 187 L CB -0.622 41.423 42.059 -0.022 0.000 0.904 187 L HN 0.237 nan 8.230 nan 0.000 0.435 188 L N -0.490 120.673 121.223 -0.101 0.000 2.141 188 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 188 L C 2.148 178.930 176.870 -0.147 0.000 1.094 188 L CA 1.091 55.847 54.840 -0.140 0.000 0.763 188 L CB -0.475 41.480 42.059 -0.174 0.000 0.908 188 L HN 0.278 nan 8.230 nan 0.000 0.437 189 D N -0.588 119.681 120.400 -0.219 0.000 2.117 189 D HA -0.267 4.373 4.640 -0.000 0.000 0.198 189 D C 2.085 178.378 176.300 -0.011 0.000 0.982 189 D CA 1.166 55.057 54.000 -0.181 0.000 0.828 189 D CB -0.039 40.631 40.800 -0.216 0.000 0.967 189 D HN 0.246 nan 8.370 nan 0.000 0.464 190 Y N 1.333 121.633 120.300 -0.000 0.000 2.145 190 Y HA -0.119 4.431 4.550 -0.000 0.000 0.286 190 Y C 2.245 178.234 175.900 0.149 0.000 1.145 190 Y CA 1.781 59.974 58.100 0.155 0.000 1.148 190 Y CB -0.165 38.438 38.460 0.239 0.000 0.981 190 Y HN -0.116 nan 8.280 nan 0.000 0.507 191 R N -0.128 120.551 120.500 0.300 0.000 2.091 191 R HA -0.190 4.150 4.340 -0.000 0.000 0.238 191 R C 1.724 178.076 176.300 0.086 0.000 1.136 191 R CA 1.497 57.656 56.100 0.099 0.000 0.959 191 R CB -0.510 29.643 30.300 -0.244 0.000 0.856 191 R HN 0.381 nan 8.270 nan 0.000 0.437 192 N N 0.677 119.361 118.700 -0.028 0.000 2.512 192 N HA -0.087 4.653 4.740 -0.000 0.000 0.183 192 N C 1.158 176.564 175.510 -0.174 0.000 1.073 192 N CA 1.037 54.044 53.050 -0.071 0.000 0.911 192 N CB 0.134 38.567 38.487 -0.090 0.000 0.964 192 N HN 0.304 nan 8.380 nan 0.000 0.447 193 K N -0.917 119.283 120.400 -0.334 0.000 2.202 193 K HA 0.150 4.470 4.320 -0.000 0.000 0.201 193 K C 0.801 176.923 176.600 -0.798 0.000 1.051 193 K CA 0.674 56.540 56.287 -0.702 0.000 0.977 193 K CB 0.194 31.977 32.500 -1.195 0.000 0.792 193 K HN 0.037 nan 8.250 nan 0.000 0.469 194 F N -1.351 118.540 119.950 -0.099 0.000 2.653 194 F HA 0.161 4.688 4.527 -0.000 0.000 0.288 194 F C 0.359 176.182 175.800 0.038 0.000 1.121 194 F CA -0.370 57.562 58.000 -0.112 0.000 1.384 194 F CB 0.075 38.922 39.000 -0.254 0.000 1.115 194 F HN -0.150 nan 8.300 nan 0.000 0.599 195 Y N 2.383 122.785 120.300 0.171 0.000 2.623 195 Y HA 0.289 4.839 4.550 -0.000 0.000 0.341 195 Y C 0.821 176.856 175.900 0.225 0.000 1.292 195 Y CA -0.969 57.288 58.100 0.263 0.000 1.840 195 Y CB -0.932 37.691 38.460 0.272 0.000 1.865 195 Y HN -0.088 nan 8.280 nan 0.000 0.440 196 T N -2.065 112.485 114.554 -0.007 0.000 2.908 196 T HA 0.334 4.684 4.350 -0.000 0.000 0.290 196 T C -1.942 172.205 174.700 -0.922 0.000 1.034 196 T CA -2.576 59.235 62.100 -0.482 0.000 1.010 196 T CB 2.651 71.295 68.868 -0.374 0.000 1.068 196 T HN 0.020 nan 8.240 nan 0.000 0.481 197 P HA -0.180 nan 4.420 nan 0.000 0.216 197 P C 1.219 178.257 177.300 -0.437 0.000 1.150 197 P CA 1.306 63.757 63.100 -1.082 0.000 0.837 197 P CB 0.105 31.269 31.700 -0.894 0.000 0.786 198 E N -0.172 119.805 120.200 -0.372 0.000 2.515 198 E HA -0.140 4.210 4.350 -0.000 0.000 0.201 198 E C 0.795 177.308 176.600 -0.146 0.000 1.071 198 E CA 0.730 57.007 56.400 -0.205 0.000 0.880 198 E CB -0.987 28.602 29.700 -0.185 0.000 0.828 198 E HN 0.215 nan 8.360 nan 0.000 0.540 199 N N 0.011 118.612 118.700 -0.164 0.000 2.235 199 N HA 0.073 4.813 4.740 -0.000 0.000 0.231 199 N C -1.201 174.283 175.510 -0.044 0.000 1.177 199 N CA -0.018 52.976 53.050 -0.094 0.000 0.874 199 N CB 0.864 39.294 38.487 -0.095 0.000 1.097 199 N HN -0.075 nan 8.380 nan 0.000 0.518 200 T N -0.747 113.791 114.554 -0.026 0.000 2.893 200 T HA 0.571 4.921 4.350 -0.000 0.000 0.291 200 T C -0.988 173.777 174.700 0.108 0.000 1.028 200 T CA -0.529 61.612 62.100 0.069 0.000 0.995 200 T CB 2.394 71.359 68.868 0.161 0.000 1.051 200 T HN -0.284 nan 8.240 nan 0.000 0.470 201 V N 1.454 121.470 119.914 0.171 0.000 2.709 201 V HA 0.808 4.928 4.120 -0.000 0.000 0.308 201 V C -0.543 175.700 176.094 0.248 0.000 1.062 201 V CA -0.932 61.478 62.300 0.183 0.000 0.901 201 V CB 1.902 33.806 31.823 0.135 0.000 1.003 201 V HN 1.112 nan 8.190 nan 0.000 0.425 202 A N 3.502 126.454 122.820 0.220 0.000 2.287 202 A HA 0.948 5.268 4.320 -0.000 0.000 0.317 202 A C -0.150 177.515 177.584 0.136 0.000 1.220 202 A CA -0.174 51.966 52.037 0.173 0.000 0.835 202 A CB 1.146 20.314 19.000 0.280 0.000 1.180 202 A HN 1.377 nan 8.150 nan 0.000 0.500 203 A N 1.992 124.767 122.820 -0.076 0.000 2.365 203 A HA 0.921 5.241 4.320 -0.000 0.000 0.318 203 A C -1.207 176.140 177.584 -0.395 0.000 1.091 203 A CA -0.410 51.611 52.037 -0.027 0.000 0.763 203 A CB 0.753 19.757 19.000 0.007 0.000 1.248 203 A HN 0.757 nan 8.150 nan 0.000 0.442 204 F N 0.548 120.596 119.950 0.162 0.000 2.578 204 F HA 0.594 5.121 4.527 -0.000 0.000 0.311 204 F C -0.249 175.626 175.800 0.125 0.000 1.094 204 F CA -0.884 57.201 58.000 0.141 0.000 0.923 204 F CB 2.428 41.496 39.000 0.114 0.000 1.230 204 F HN 0.288 nan 8.300 nan 0.000 0.450 205 V N 1.485 121.561 119.914 0.270 0.000 2.487 205 V HA 0.657 4.777 4.120 -0.000 0.000 0.298 205 V C 0.397 176.575 176.094 0.140 0.000 1.028 205 V CA -0.366 62.038 62.300 0.174 0.000 0.860 205 V CB 1.084 32.972 31.823 0.110 0.000 0.991 205 V HN 1.061 nan 8.190 nan 0.000 0.427 206 G N 4.187 113.049 108.800 0.104 0.000 2.136 206 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.242 206 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.242 206 G C -0.188 174.760 174.900 0.080 0.000 0.989 206 G CA 0.151 45.285 45.100 0.057 0.000 0.682 206 G HN 0.807 nan 8.290 nan 0.000 0.522 207 V N 0.865 120.847 119.914 0.113 0.000 2.487 207 V HA 0.516 4.636 4.120 -0.000 0.000 0.298 207 V C -1.950 174.156 176.094 0.019 0.000 1.028 207 V CA -1.860 60.479 62.300 0.064 0.000 0.860 207 V CB 2.116 33.981 31.823 0.069 0.000 0.991 207 V HN 0.103 nan 8.190 nan 0.000 0.427 208 P HA 0.088 nan 4.420 nan 0.000 0.264 208 P C 0.634 177.916 177.300 -0.031 0.000 1.193 208 P CA 0.190 63.290 63.100 -0.001 0.000 0.763 208 P CB 0.424 32.118 31.700 -0.010 0.000 0.810 209 H N 2.640 121.666 119.070 -0.074 0.000 2.357 209 H HA -0.243 4.313 4.556 -0.000 0.000 0.296 209 H C 1.719 176.980 175.328 -0.111 0.000 1.108 209 H CA 2.166 58.157 56.048 -0.096 0.000 1.273 209 H CB 0.094 29.807 29.762 -0.081 0.000 1.367 209 H HN 0.397 nan 8.280 nan 0.000 0.498 210 E N 0.250 120.423 120.200 -0.045 0.000 2.058 210 E HA -0.171 4.178 4.350 -0.000 0.000 0.194 210 E C 2.205 178.713 176.600 -0.153 0.000 0.997 210 E CA 1.465 57.815 56.400 -0.084 0.000 0.801 210 E CB -0.143 29.540 29.700 -0.029 0.000 0.746 210 E HN 0.295 nan 8.360 nan 0.000 0.450 211 K N 0.046 120.358 120.400 -0.148 0.000 2.097 211 K HA -0.018 4.302 4.320 -0.000 0.000 0.206 211 K C 1.816 178.253 176.600 -0.273 0.000 1.049 211 K CA 1.490 57.680 56.287 -0.162 0.000 0.933 211 K CB -0.588 31.839 32.500 -0.122 0.000 0.717 211 K HN 0.139 nan 8.250 nan 0.000 0.442 212 A N 0.525 123.086 122.820 -0.431 0.000 1.902 212 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 212 A C 2.219 179.531 177.584 -0.453 0.000 1.181 212 A CA 1.449 53.053 52.037 -0.722 0.000 0.623 212 A CB -0.640 17.776 19.000 -0.972 0.000 0.818 212 A HN 0.323 nan 8.150 nan 0.000 0.443 213 L N -0.854 120.137 121.223 -0.388 0.000 2.083 213 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 213 L C 2.675 179.452 176.870 -0.154 0.000 1.083 213 L CA 1.757 56.450 54.840 -0.245 0.000 0.752 213 L CB -0.409 41.512 42.059 -0.230 0.000 0.899 213 L HN 0.612 nan 8.230 nan 0.000 0.433 214 E N 0.528 120.632 120.200 -0.160 0.000 2.031 214 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 214 E C 2.357 178.882 176.600 -0.126 0.000 0.994 214 E CA 1.307 57.634 56.400 -0.122 0.000 0.800 214 E CB -0.038 29.595 29.700 -0.111 0.000 0.752 214 E HN 0.420 nan 8.360 nan 0.000 0.447 215 L N 0.306 121.457 121.223 -0.120 0.000 2.017 215 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 215 L C 2.740 179.626 176.870 0.027 0.000 1.073 215 L CA 1.593 56.401 54.840 -0.053 0.000 0.745 215 L CB -0.610 41.472 42.059 0.039 0.000 0.894 215 L HN 0.219 nan 8.230 nan 0.000 0.432 216 T N -0.269 114.316 114.554 0.052 0.000 2.684 216 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 216 T C 1.837 176.592 174.700 0.093 0.000 1.036 216 T CA 1.446 63.639 62.100 0.155 0.000 1.148 216 T CB -0.657 68.303 68.868 0.155 0.000 0.863 216 T HN 0.575 nan 8.240 nan 0.000 0.436 217 G N 1.336 110.142 108.800 0.009 0.000 2.440 217 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 217 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 217 G C 1.480 176.352 174.900 -0.047 0.000 1.154 217 G CA 1.181 46.279 45.100 -0.003 0.000 0.767 217 G HN 0.500 nan 8.290 nan 0.000 0.552 218 K N -0.810 119.488 120.400 -0.169 0.000 2.057 218 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 218 K C 1.977 178.371 176.600 -0.344 0.000 1.049 218 K CA 1.293 57.367 56.287 -0.354 0.000 0.931 218 K CB -0.212 31.891 32.500 -0.663 0.000 0.714 218 K HN 0.424 nan 8.250 nan 0.000 0.440 219 Y N -1.018 119.319 120.300 0.062 0.000 2.507 219 Y HA 0.139 4.689 4.550 -0.000 0.000 0.263 219 Y C 1.192 177.139 175.900 0.079 0.000 1.093 219 Y CA -0.037 58.105 58.100 0.070 0.000 1.285 219 Y CB 0.679 39.177 38.460 0.063 0.000 1.115 219 Y HN 0.009 nan 8.280 nan 0.000 0.533 220 L N -1.682 119.682 121.223 0.236 0.000 2.920 220 L HA 0.383 4.723 4.340 -0.000 0.000 0.257 220 L C 2.130 179.167 176.870 0.278 0.000 1.150 220 L CA 0.577 55.570 54.840 0.255 0.000 0.959 220 L CB -0.850 41.389 42.059 0.299 0.000 1.321 220 L HN 0.193 nan 8.230 nan 0.000 0.555 221 G N 0.870 109.775 108.800 0.176 0.000 2.442 221 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 221 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 221 G C 0.995 175.984 174.900 0.148 0.000 1.141 221 G CA 1.067 46.248 45.100 0.135 0.000 0.763 221 G HN 0.558 nan 8.290 nan 0.000 0.554 222 D N -1.411 119.090 120.400 0.168 0.000 2.328 222 D HA -0.034 4.606 4.640 -0.000 0.000 0.226 222 D C 0.349 176.798 176.300 0.250 0.000 1.066 222 D CA -0.710 53.389 54.000 0.166 0.000 0.861 222 D CB -0.289 40.595 40.800 0.140 0.000 0.912 222 D HN 0.243 nan 8.370 nan 0.000 0.521 223 W N 2.885 124.210 121.300 0.042 0.000 2.253 223 W HA 0.226 4.886 4.660 -0.000 0.000 0.322 223 W C -0.315 176.202 176.519 -0.003 0.000 1.342 223 W CA -0.690 56.661 57.345 0.010 0.000 1.218 223 W CB 0.337 29.788 29.460 -0.014 0.000 1.205 223 W HN -0.085 nan 8.180 nan 0.000 0.551 224 Q N 4.049 123.922 119.800 0.120 0.000 2.345 224 Q HA 0.334 4.674 4.340 -0.000 0.000 0.268 224 Q C -0.274 175.576 176.000 -0.251 0.000 1.054 224 Q CA -0.964 54.791 55.803 -0.080 0.000 0.835 224 Q CB 2.174 30.932 28.738 0.033 0.000 1.339 224 Q HN 0.463 nan 8.270 nan 0.000 0.447 225 S N -0.017 115.471 115.700 -0.354 0.000 2.593 225 S HA 0.094 4.564 4.470 -0.000 0.000 0.269 225 S C 0.928 175.334 174.600 -0.323 0.000 1.334 225 S CA 0.088 58.003 58.200 -0.475 0.000 1.015 225 S CB 0.620 63.382 63.200 -0.731 0.000 0.912 225 S HN 0.737 nan 8.310 nan 0.000 0.541 226 T N 0.093 114.492 114.554 -0.258 0.000 3.086 226 T HA 0.206 4.556 4.350 -0.000 0.000 0.250 226 T C 0.248 174.921 174.700 -0.046 0.000 1.074 226 T CA 0.069 62.109 62.100 -0.099 0.000 0.988 226 T CB -0.570 68.256 68.868 -0.070 0.000 0.988 226 T HN 0.843 nan 8.240 nan 0.000 0.530 227 H N 2.173 121.187 119.070 -0.094 0.000 2.592 227 H HA -0.076 4.480 4.556 -0.000 0.000 0.323 227 H C -2.119 173.155 175.328 -0.090 0.000 1.117 227 H CA 0.645 56.640 56.048 -0.087 0.000 1.120 227 H CB -1.601 28.122 29.762 -0.065 0.000 1.561 227 H HN 0.536 nan 8.280 nan 0.000 0.409 228 P HA 0.235 nan 4.420 nan 0.000 0.276 228 P C -2.366 174.882 177.300 -0.087 0.000 1.261 228 P CA -1.290 61.749 63.100 -0.102 0.000 0.800 228 P CB 0.429 32.007 31.700 -0.204 0.000 1.066 229 P HA 0.220 nan 4.420 nan 0.000 0.271 229 P C -0.440 176.812 177.300 -0.079 0.000 1.220 229 P CA -0.059 63.005 63.100 -0.060 0.000 0.768 229 P CB -0.069 31.604 31.700 -0.044 0.000 0.848 230 I N 2.884 123.426 120.570 -0.045 0.000 2.471 230 I HA 0.053 4.223 4.170 -0.000 0.000 0.294 230 I C 0.963 177.081 176.117 0.002 0.000 1.123 230 I CA 0.684 61.964 61.300 -0.033 0.000 1.336 230 I CB -0.556 37.439 38.000 -0.009 0.000 1.430 230 I HN 0.311 nan 8.210 nan 0.000 0.533 231 T N 2.698 117.261 114.554 0.015 0.000 3.377 231 T HA 0.400 4.750 4.350 -0.000 0.000 0.270 231 T C 0.133 174.943 174.700 0.184 0.000 1.586 231 T CA -0.859 61.291 62.100 0.084 0.000 1.487 231 T CB -0.503 68.412 68.868 0.079 0.000 0.994 231 T HN 0.389 nan 8.240 nan 0.000 0.689 232 K N 2.281 122.782 120.400 0.169 0.000 2.464 232 K HA 0.345 4.665 4.320 -0.000 0.000 0.252 232 K C -0.395 176.309 176.600 0.175 0.000 1.000 232 K CA -0.647 55.800 56.287 0.267 0.000 0.951 232 K CB 1.709 34.370 32.500 0.267 0.000 1.183 232 K HN 0.379 nan 8.250 nan 0.000 0.445 233 K N 1.490 121.974 120.400 0.140 0.000 2.174 233 K HA 0.207 4.527 4.320 -0.000 0.000 0.275 233 K C 0.464 177.090 176.600 0.044 0.000 1.015 233 K CA -0.835 55.496 56.287 0.074 0.000 0.933 233 K CB 1.054 33.585 32.500 0.051 0.000 1.025 233 K HN 0.280 nan 8.250 nan 0.000 0.463 234 V N -0.358 119.582 119.914 0.044 0.000 2.924 234 V HA 0.378 4.498 4.120 -0.000 0.000 0.305 234 V C 0.301 176.401 176.094 0.011 0.000 1.073 234 V CA -0.895 61.425 62.300 0.034 0.000 1.098 234 V CB 0.777 32.632 31.823 0.054 0.000 1.000 234 V HN 0.820 nan 8.190 nan 0.000 0.484 235 A N 4.031 126.844 122.820 -0.011 0.000 2.409 235 A HA 0.448 4.768 4.320 -0.000 0.000 0.262 235 A C 0.249 177.921 177.584 0.147 0.000 1.113 235 A CA -0.349 51.670 52.037 -0.030 0.000 0.790 235 A CB -0.120 18.781 19.000 -0.164 0.000 1.046 235 A HN 0.952 nan 8.150 nan 0.000 0.496 236 Q N 1.816 121.748 119.800 0.220 0.000 2.413 236 Q HA 0.230 4.570 4.340 -0.000 0.000 0.258 236 Q C -1.409 174.798 176.000 0.346 0.000 1.037 236 Q CA -0.363 55.586 55.803 0.244 0.000 0.764 236 Q CB 1.677 30.496 28.738 0.136 0.000 1.217 236 Q HN 0.751 nan 8.270 nan 0.000 0.490 237 Y N 2.370 122.784 120.300 0.191 0.000 2.442 237 Y HA -0.023 4.527 4.550 0.000 0.000 0.330 237 Y C 1.110 176.958 175.900 -0.086 0.000 1.129 237 Y CA 1.135 59.172 58.100 -0.105 0.000 1.365 237 Y CB 0.858 39.241 38.460 -0.129 0.000 1.233 237 Y HN 0.676 nan 8.280 nan 0.000 0.529 238 T N 1.786 115.927 114.554 -0.688 0.000 2.987 238 T HA 0.500 4.850 4.350 -0.000 0.000 0.248 238 T C 0.882 175.233 174.700 -0.581 0.000 0.997 238 T CA 0.345 62.194 62.100 -0.420 0.000 1.013 238 T CB -0.540 68.173 68.868 -0.257 0.000 1.077 238 T HN 1.478 nan 8.240 nan 0.000 0.483 239 G N -0.109 108.034 108.800 -1.095 0.000 2.814 239 G HA2 0.408 4.368 3.960 -0.000 0.000 0.677 239 G HA3 0.408 4.368 3.960 -0.000 0.000 0.677 239 G C -0.003 174.684 174.900 -0.355 0.000 1.429 239 G CA -0.570 44.121 45.100 -0.681 0.000 0.868 239 G HN 1.830 nan 8.290 nan 0.000 0.553 240 G N -0.919 107.743 108.800 -0.230 0.000 2.324 240 G HA2 0.608 4.568 3.960 -0.000 0.000 0.293 240 G HA3 0.608 4.568 3.960 -0.000 0.000 0.293 240 G C -1.298 173.527 174.900 -0.124 0.000 1.297 240 G CA 0.338 45.346 45.100 -0.154 0.000 0.853 240 G HN 0.961 nan 8.290 nan 0.000 0.535 241 E N -0.856 119.287 120.200 -0.095 0.000 2.288 241 E HA 0.728 5.078 4.350 -0.000 0.000 0.268 241 E C -1.205 175.348 176.600 -0.077 0.000 0.885 241 E CA -0.728 55.620 56.400 -0.087 0.000 0.767 241 E CB 2.282 31.941 29.700 -0.068 0.000 1.220 241 E HN 0.538 nan 8.360 nan 0.000 0.427 242 S N 0.966 116.614 115.700 -0.086 0.000 2.558 242 S HA 0.429 4.899 4.470 -0.000 0.000 0.277 242 S C -2.057 172.491 174.600 -0.087 0.000 1.143 242 S CA -0.573 57.585 58.200 -0.070 0.000 0.865 242 S CB 1.411 64.580 63.200 -0.052 0.000 1.102 242 S HN 0.594 nan 8.310 nan 0.000 0.454 243 C N 5.894 125.154 119.300 -0.066 0.000 2.642 243 C HA 0.779 5.239 4.460 -0.000 0.000 0.344 243 C C -0.817 174.146 174.990 -0.045 0.000 1.110 243 C CA -0.704 58.270 59.018 -0.074 0.000 1.298 243 C CB -0.526 27.171 27.740 -0.072 0.000 1.827 243 C HN 0.863 nan 8.230 nan 0.000 0.467 244 I N 3.191 123.740 120.570 -0.036 0.000 2.822 244 I HA 0.748 4.918 4.170 -0.000 0.000 0.312 244 I C -2.596 173.492 176.117 -0.048 0.000 1.011 244 I CA -2.624 58.661 61.300 -0.024 0.000 1.105 244 I CB 1.253 39.265 38.000 0.021 0.000 1.291 244 I HN 0.312 nan 8.210 nan 0.000 0.474 245 P HA 0.241 nan 4.420 nan 0.000 0.270 245 P C -2.552 174.704 177.300 -0.073 0.000 1.223 245 P CA -0.744 62.316 63.100 -0.066 0.000 0.785 245 P CB -0.346 31.326 31.700 -0.046 0.000 0.923 246 P HA 0.081 nan 4.420 nan 0.000 0.269 246 P C -0.448 176.859 177.300 0.011 0.000 1.209 246 P CA 0.228 63.283 63.100 -0.074 0.000 0.776 246 P CB 0.254 31.955 31.700 0.002 0.000 0.876 247 A N 4.523 127.382 122.820 0.065 0.000 2.366 247 A HA 0.414 4.734 4.320 -0.000 0.000 0.249 247 A C -2.001 175.508 177.584 -0.126 0.000 1.084 247 A CA -0.983 51.073 52.037 0.032 0.000 0.794 247 A CB -1.407 17.675 19.000 0.137 0.000 1.034 247 A HN 0.431 nan 8.150 nan 0.000 0.491 248 P HA 0.240 nan 4.420 nan 0.000 0.268 248 P C -0.410 176.431 177.300 -0.765 0.000 1.205 248 P CA -0.214 62.648 63.100 -0.396 0.000 0.771 248 P CB 0.498 32.016 31.700 -0.303 0.000 0.858 249 V N 1.215 120.866 119.914 -0.439 0.000 2.381 249 V HA 0.170 4.290 4.120 -0.000 0.000 0.257 249 V C 0.345 176.241 176.094 -0.330 0.000 1.057 249 V CA -0.098 61.993 62.300 -0.348 0.000 1.013 249 V CB -1.619 30.124 31.823 -0.132 0.000 1.069 249 V HN 0.227 nan 8.190 nan 0.000 0.484 250 F N 4.148 124.124 119.950 0.043 0.000 2.070 250 F HA 0.584 5.111 4.527 -0.000 0.000 0.199 250 F C 2.023 177.838 175.800 0.026 0.000 0.764 250 F CA 0.885 58.906 58.000 0.034 0.000 1.142 250 F CB -0.981 38.042 39.000 0.037 0.000 2.130 250 F HN 0.615 nan 8.300 nan 0.000 0.625 251 G N 0.149 109.121 108.800 0.285 0.000 2.781 251 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.157 251 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.157 251 G C 0.790 175.755 174.900 0.108 0.000 1.823 251 G CA 0.516 45.702 45.100 0.143 0.000 0.932 251 G HN 0.632 nan 8.290 nan 0.000 0.398 252 N N -0.128 118.622 118.700 0.085 0.000 2.457 252 N HA 0.048 4.788 4.740 -0.000 0.000 0.180 252 N C 0.946 176.502 175.510 0.076 0.000 1.050 252 N CA -0.028 53.059 53.050 0.062 0.000 0.906 252 N CB -0.460 38.053 38.487 0.043 0.000 0.968 252 N HN 0.327 nan 8.380 nan 0.000 0.445 253 L N 1.021 122.315 121.223 0.118 0.000 2.593 253 L HA 0.065 4.405 4.340 -0.000 0.000 0.287 253 L C -1.890 175.052 176.870 0.120 0.000 1.243 253 L CA -1.136 53.789 54.840 0.142 0.000 0.890 253 L CB -0.249 41.960 42.059 0.249 0.000 1.134 253 L HN 0.060 nan 8.230 nan 0.000 0.502 254 P HA 0.106 nan 4.420 nan 0.000 0.282 254 P C -0.547 176.795 177.300 0.071 0.000 1.274 254 P CA -0.455 62.682 63.100 0.061 0.000 0.770 254 P CB 0.672 32.401 31.700 0.048 0.000 0.867 255 E N 3.480 123.699 120.200 0.032 0.000 2.414 255 E HA 0.174 4.524 4.350 -0.000 0.000 0.263 255 E C -0.998 175.612 176.600 0.016 0.000 1.000 255 E CA -0.021 56.397 56.400 0.031 0.000 0.914 255 E CB 0.217 29.911 29.700 -0.010 0.000 0.948 255 E HN 0.379 nan 8.360 nan 0.000 0.444 256 L N 3.889 125.156 121.223 0.073 0.000 2.393 256 L HA 0.504 4.844 4.340 -0.000 0.000 0.260 256 L C -0.946 175.982 176.870 0.097 0.000 1.002 256 L CA -1.044 53.792 54.840 -0.006 0.000 0.818 256 L CB 1.304 43.321 42.059 -0.070 0.000 1.369 256 L HN 0.527 nan 8.230 nan 0.000 0.412 257 F N 0.391 120.159 119.950 -0.303 0.000 2.523 257 F HA 0.612 5.139 4.527 -0.000 0.000 0.329 257 F C 0.275 175.881 175.800 -0.325 0.000 1.061 257 F CA -0.823 57.068 58.000 -0.181 0.000 0.967 257 F CB 1.496 40.480 39.000 -0.027 0.000 1.218 257 F HN 0.302 nan 8.300 nan 0.000 0.480 258 H N 2.057 121.365 119.070 0.396 0.000 2.851 258 H HA 0.636 5.192 4.556 -0.000 0.000 0.372 258 H C -1.168 174.258 175.328 0.164 0.000 1.158 258 H CA -0.683 55.515 56.048 0.250 0.000 1.159 258 H CB 3.213 33.062 29.762 0.145 0.000 1.757 258 H HN 0.603 nan 8.280 nan 0.000 0.546 259 I N 1.316 122.022 120.570 0.227 0.000 2.722 259 I HA 0.194 4.364 4.170 -0.000 0.000 0.292 259 I C -1.528 174.636 176.117 0.079 0.000 1.267 259 I CA -0.394 60.918 61.300 0.021 0.000 1.036 259 I CB 2.494 40.462 38.000 -0.053 0.000 1.281 259 I HN 0.490 nan 8.210 nan 0.000 0.423 260 Q N 7.493 127.318 119.800 0.042 0.000 2.337 260 Q HA 0.614 4.954 4.340 -0.000 0.000 0.270 260 Q C -1.424 174.645 176.000 0.115 0.000 1.043 260 Q CA -0.760 55.137 55.803 0.155 0.000 0.794 260 Q CB 3.236 32.054 28.738 0.134 0.000 1.281 260 Q HN 0.557 nan 8.270 nan 0.000 0.446 261 I N 1.208 121.876 120.570 0.164 0.000 2.466 261 I HA 0.674 4.844 4.170 -0.000 0.000 0.289 261 I C 0.019 176.196 176.117 0.100 0.000 1.026 261 I CA -0.625 60.709 61.300 0.056 0.000 1.078 261 I CB 2.124 40.129 38.000 0.010 0.000 1.249 261 I HN 0.692 nan 8.210 nan 0.000 0.429 262 G N 4.772 113.573 108.800 0.002 0.000 2.727 262 G HA2 0.810 4.770 3.960 -0.000 0.000 0.289 262 G HA3 0.810 4.770 3.960 -0.000 0.000 0.289 262 G C -1.712 173.015 174.900 -0.288 0.000 1.418 262 G CA -0.403 44.742 45.100 0.076 0.000 0.818 262 G HN 0.317 nan 8.290 nan 0.000 0.486 263 F N -0.898 119.172 119.950 0.200 0.000 2.629 263 F HA 0.478 5.005 4.527 0.000 0.000 0.316 263 F C 0.282 175.938 175.800 -0.239 0.000 1.081 263 F CA -0.834 57.189 58.000 0.039 0.000 0.954 263 F CB 2.222 41.230 39.000 0.013 0.000 1.337 263 F HN 0.539 nan 8.300 nan 0.000 0.474 264 E N 0.861 120.664 120.200 -0.662 0.000 2.480 264 E HA 0.361 4.711 4.350 -0.000 0.000 0.258 264 E C 0.203 176.633 176.600 -0.283 0.000 0.984 264 E CA 0.133 56.033 56.400 -0.834 0.000 0.930 264 E CB 0.569 29.572 29.700 -1.161 0.000 0.936 264 E HN 0.756 nan 8.360 nan 0.000 0.466 265 G N 3.939 112.675 108.800 -0.107 0.000 2.695 265 G HA2 0.479 4.439 3.960 -0.000 0.000 0.213 265 G HA3 0.479 4.439 3.960 -0.000 0.000 0.213 265 G C -0.604 174.213 174.900 -0.139 0.000 1.406 265 G CA -0.684 44.369 45.100 -0.080 0.000 1.049 265 G HN 0.514 nan 8.290 nan 0.000 0.573 266 L N 0.215 121.348 121.223 -0.151 0.000 2.319 266 L HA 0.410 4.750 4.340 -0.000 0.000 0.267 266 L C -2.447 174.385 176.870 -0.063 0.000 1.011 266 L CA -1.961 52.758 54.840 -0.201 0.000 0.818 266 L CB 2.538 44.341 42.059 -0.425 0.000 1.316 266 L HN 0.212 nan 8.230 nan 0.000 0.432 267 P HA 0.018 nan 4.420 nan 0.000 0.271 267 P C 0.885 178.200 177.300 0.025 0.000 1.218 267 P CA -0.405 62.733 63.100 0.064 0.000 0.780 267 P CB 0.441 32.205 31.700 0.106 0.000 0.901 268 I N 1.239 121.815 120.570 0.011 0.000 2.657 268 I HA -0.175 3.995 4.170 -0.000 0.000 0.261 268 I C 0.379 176.463 176.117 -0.054 0.000 1.212 268 I CA 1.861 63.141 61.300 -0.033 0.000 1.453 268 I CB -1.577 36.418 38.000 -0.009 0.000 1.092 268 I HN 0.238 nan 8.210 nan 0.000 0.452 269 D N -0.966 119.419 120.400 -0.025 0.000 2.402 269 D HA -0.001 4.639 4.640 -0.000 0.000 0.216 269 D C 1.052 177.298 176.300 -0.090 0.000 1.128 269 D CA -0.320 53.615 54.000 -0.107 0.000 0.833 269 D CB -0.671 40.017 40.800 -0.188 0.000 0.971 269 D HN 0.402 nan 8.370 nan 0.000 0.503 270 H N 1.252 120.242 119.070 -0.134 0.000 2.732 270 H HA 0.105 4.661 4.556 -0.000 0.000 0.351 270 H C -1.581 173.665 175.328 -0.137 0.000 1.090 270 H CA -1.257 54.721 56.048 -0.117 0.000 1.431 270 H CB 1.655 31.354 29.762 -0.105 0.000 1.447 270 H HN -0.188 nan 8.280 nan 0.000 0.582 271 P HA -0.102 nan 4.420 nan 0.000 0.219 271 P C 0.327 177.687 177.300 0.102 0.000 1.146 271 P CA 1.206 64.268 63.100 -0.062 0.000 0.808 271 P CB 0.369 31.972 31.700 -0.161 0.000 0.779 272 D N -1.606 118.980 120.400 0.311 0.000 2.342 272 D HA 0.044 4.684 4.640 -0.000 0.000 0.221 272 D C 1.615 177.897 176.300 -0.031 0.000 1.101 272 D CA -0.192 53.871 54.000 0.105 0.000 0.837 272 D CB -0.171 40.652 40.800 0.039 0.000 0.938 272 D HN 0.032 nan 8.370 nan 0.000 0.508 273 I N 0.663 121.185 120.570 -0.081 0.000 2.208 273 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 273 I C 1.584 177.558 176.117 -0.239 0.000 1.097 273 I CA 1.455 62.616 61.300 -0.232 0.000 1.363 273 I CB -0.517 37.273 38.000 -0.349 0.000 1.051 273 I HN 0.018 nan 8.210 nan 0.000 0.413 274 Y N 0.774 121.067 120.300 -0.012 0.000 2.200 274 Y HA -0.106 4.444 4.550 -0.000 0.000 0.290 274 Y C 2.591 178.475 175.900 -0.028 0.000 1.137 274 Y CA 1.283 59.374 58.100 -0.015 0.000 1.163 274 Y CB -1.248 37.205 38.460 -0.012 0.000 0.988 274 Y HN 0.180 nan 8.280 nan 0.000 0.518 275 A N 0.001 122.880 122.820 0.099 0.000 1.883 275 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 275 A C 2.222 179.778 177.584 -0.047 0.000 1.186 275 A CA 1.818 53.864 52.037 0.016 0.000 0.624 275 A CB -1.158 17.827 19.000 -0.025 0.000 0.822 275 A HN 0.412 nan 8.150 nan 0.000 0.444 276 L N -0.384 120.767 121.223 -0.119 0.000 2.083 276 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 276 L C 2.617 179.466 176.870 -0.035 0.000 1.083 276 L CA 2.123 56.834 54.840 -0.215 0.000 0.752 276 L CB -0.642 41.230 42.059 -0.311 0.000 0.899 276 L HN 0.351 nan 8.230 nan 0.000 0.433 277 A N -2.048 120.784 122.820 0.020 0.000 1.968 277 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 277 A C 2.227 179.868 177.584 0.094 0.000 1.169 277 A CA 1.840 53.927 52.037 0.083 0.000 0.638 277 A CB -0.947 18.098 19.000 0.075 0.000 0.812 277 A HN 0.473 nan 8.150 nan 0.000 0.446 278 T N 0.278 114.878 114.554 0.076 0.000 2.777 278 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 278 T C 1.836 176.580 174.700 0.073 0.000 1.040 278 T CA 1.517 63.658 62.100 0.068 0.000 1.141 278 T CB -0.364 68.535 68.868 0.052 0.000 0.868 278 T HN 0.338 nan 8.240 nan 0.000 0.444 279 L N 1.398 122.657 121.223 0.060 0.000 2.079 279 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 279 L C 2.493 179.486 176.870 0.205 0.000 1.081 279 L CA 1.768 56.664 54.840 0.093 0.000 0.752 279 L CB -0.817 41.235 42.059 -0.011 0.000 0.896 279 L HN 0.126 nan 8.230 nan 0.000 0.433 280 Q N -0.693 119.266 119.800 0.265 0.000 2.050 280 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 280 Q C 2.016 178.078 176.000 0.103 0.000 0.980 280 Q CA 2.550 58.484 55.803 0.218 0.000 0.840 280 Q CB -0.324 28.534 28.738 0.200 0.000 0.898 280 Q HN 0.607 nan 8.270 nan 0.000 0.424 281 T N 2.071 116.682 114.554 0.096 0.000 2.821 281 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 281 T C 1.936 176.683 174.700 0.078 0.000 1.046 281 T CA 1.082 63.228 62.100 0.077 0.000 1.139 281 T CB -0.279 68.632 68.868 0.071 0.000 0.871 281 T HN 0.275 nan 8.240 nan 0.000 0.454 282 L N 0.356 121.627 121.223 0.080 0.000 2.046 282 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 282 L C 2.221 179.129 176.870 0.064 0.000 1.077 282 L CA 1.360 56.242 54.840 0.070 0.000 0.747 282 L CB -0.250 41.848 42.059 0.066 0.000 0.896 282 L HN 0.252 nan 8.230 nan 0.000 0.432 283 L N -0.857 120.409 121.223 0.072 0.000 2.056 283 L HA -0.008 4.332 4.340 -0.000 0.000 0.207 283 L C 1.936 178.829 176.870 0.037 0.000 1.078 283 L CA 0.863 55.730 54.840 0.044 0.000 0.749 283 L CB -1.134 40.959 42.059 0.058 0.000 0.901 283 L HN 0.567 nan 8.230 nan 0.000 0.433 284 G N -0.410 108.418 108.800 0.048 0.000 2.665 284 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.326 284 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.326 284 G C 0.607 175.522 174.900 0.025 0.000 1.231 284 G CA 0.333 45.472 45.100 0.065 0.000 0.992 284 G HN 1.144 nan 8.290 nan 0.000 0.549 285 G N -2.590 106.233 108.800 0.039 0.000 2.549 285 G HA2 0.594 4.554 3.960 -0.000 0.000 0.404 285 G HA3 0.594 4.554 3.960 -0.000 0.000 0.404 285 G C 0.730 175.504 174.900 -0.211 0.000 1.292 285 G CA 0.583 45.577 45.100 -0.176 0.000 0.935 285 G HN 3.079 nan 8.290 nan 0.000 0.512 286 G N -2.170 106.443 108.800 -0.312 0.000 2.344 286 G HA2 0.771 4.731 3.960 -0.000 0.000 0.282 286 G HA3 0.771 4.731 3.960 -0.000 0.000 0.282 286 G C 0.139 174.947 174.900 -0.153 0.000 1.281 286 G CA 0.853 45.857 45.100 -0.160 0.000 0.877 286 G HN 2.281 nan 8.290 nan 0.000 0.494 299 Y N 3.078 123.311 120.300 -0.111 0.000 2.683 299 Y HA 0.519 5.069 4.550 -0.000 0.000 0.297 299 Y C 0.977 176.903 175.900 0.042 0.000 1.147 299 Y CA -0.179 57.911 58.100 -0.017 0.000 1.274 299 Y CB 0.230 38.679 38.460 -0.018 0.000 1.143 299 Y HN 0.374 nan 8.280 nan 0.000 0.527 300 S N -1.282 114.530 115.700 0.187 0.000 2.646 300 S HA 0.359 4.829 4.470 -0.000 0.000 0.276 300 S C 1.240 175.914 174.600 0.122 0.000 1.222 300 S CA -0.917 57.378 58.200 0.158 0.000 1.014 300 S CB 1.770 65.074 63.200 0.174 0.000 0.991 300 S HN 0.368 nan 8.310 nan 0.000 0.533 301 R N 0.230 120.731 120.500 0.002 0.000 2.103 301 R HA -0.070 4.270 4.340 -0.000 0.000 0.242 301 R C 1.891 178.132 176.300 -0.098 0.000 1.142 301 R CA 1.649 57.634 56.100 -0.192 0.000 0.960 301 R CB -0.900 29.209 30.300 -0.318 0.000 0.858 301 R HN 0.670 nan 8.270 nan 0.000 0.439 302 L N -0.732 120.476 121.223 -0.025 0.000 2.191 302 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 302 L C 2.151 179.010 176.870 -0.019 0.000 1.103 302 L CA 1.120 55.945 54.840 -0.025 0.000 0.769 302 L CB -0.416 41.606 42.059 -0.061 0.000 0.908 302 L HN 0.178 nan 8.230 nan 0.000 0.438 303 Y N 0.492 120.801 120.300 0.015 0.000 2.153 303 Y HA -0.204 4.346 4.550 -0.000 0.000 0.289 303 Y C 2.852 178.773 175.900 0.035 0.000 1.127 303 Y CA 1.899 60.006 58.100 0.011 0.000 1.131 303 Y CB -0.538 37.911 38.460 -0.018 0.000 0.995 303 Y HN 0.058 nan 8.280 nan 0.000 0.505 304 T N -1.119 113.604 114.554 0.282 0.000 2.701 304 T HA -0.179 4.171 4.350 -0.000 0.000 0.263 304 T C 1.355 176.236 174.700 0.302 0.000 1.040 304 T CA 2.007 64.273 62.100 0.276 0.000 1.147 304 T CB -0.409 68.670 68.868 0.352 0.000 0.865 304 T HN 0.326 nan 8.240 nan 0.000 0.426 305 H N -0.349 118.750 119.070 0.049 0.000 2.535 305 H HA 0.293 4.849 4.556 -0.000 0.000 0.273 305 H C 1.792 177.152 175.328 0.054 0.000 0.983 305 H CA 0.121 56.190 56.048 0.035 0.000 1.238 305 H CB -0.083 29.715 29.762 0.059 0.000 1.412 305 H HN 0.215 nan 8.280 nan 0.000 0.562 306 V N -0.877 119.142 119.914 0.175 0.000 3.134 306 V HA -0.028 4.092 4.120 -0.000 0.000 0.222 306 V C 2.011 178.148 176.094 0.071 0.000 1.247 306 V CA 0.027 62.437 62.300 0.184 0.000 1.281 306 V CB -0.137 31.757 31.823 0.118 0.000 1.169 306 V HN 0.117 nan 8.190 nan 0.000 0.512 307 L N 1.456 122.666 121.223 -0.021 0.000 2.042 307 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 307 L C 2.173 179.021 176.870 -0.036 0.000 1.076 307 L CA 1.999 56.799 54.840 -0.065 0.000 0.749 307 L CB -1.639 40.308 42.059 -0.187 0.000 0.893 307 L HN 0.431 nan 8.230 nan 0.000 0.432 308 N N -0.792 117.906 118.700 -0.003 0.000 2.331 308 N HA -0.121 4.619 4.740 -0.000 0.000 0.180 308 N C 1.798 177.195 175.510 -0.188 0.000 1.019 308 N CA 0.602 53.629 53.050 -0.039 0.000 0.881 308 N CB 0.028 38.520 38.487 0.008 0.000 0.972 308 N HN 0.392 nan 8.380 nan 0.000 0.435 309 Q N -0.406 119.206 119.800 -0.313 0.000 2.204 309 Q HA 0.079 4.419 4.340 -0.000 0.000 0.198 309 Q C -0.141 175.290 176.000 -0.948 0.000 0.946 309 Q CA 0.831 56.245 55.803 -0.648 0.000 0.859 309 Q CB 0.124 28.337 28.738 -0.875 0.000 0.946 309 Q HN 0.428 nan 8.270 nan 0.000 0.474 310 Y N -0.111 119.878 120.300 -0.519 0.000 2.350 310 Y HA 0.226 4.776 4.550 -0.000 0.000 0.338 310 Y C 0.228 175.642 175.900 -0.809 0.000 0.961 310 Y CA -1.164 56.350 58.100 -0.977 0.000 1.100 310 Y CB 0.851 38.465 38.460 -1.410 0.000 1.179 310 Y HN 0.032 nan 8.280 nan 0.000 0.454 311 Y N -0.516 119.581 120.300 -0.338 0.000 2.507 311 Y HA 0.207 4.757 4.550 -0.000 0.000 0.254 311 Y C 0.749 176.593 175.900 -0.094 0.000 1.171 311 Y CA -0.959 57.042 58.100 -0.165 0.000 1.238 311 Y CB -0.244 38.180 38.460 -0.059 0.000 1.148 311 Y HN 0.522 nan 8.280 nan 0.000 0.525 312 F N -0.494 119.723 119.950 0.445 0.000 2.811 312 F HA 0.329 4.856 4.527 -0.000 0.000 0.301 312 F C -0.104 175.767 175.800 0.118 0.000 1.151 312 F CA -1.073 57.069 58.000 0.237 0.000 1.412 312 F CB -0.945 38.152 39.000 0.161 0.000 1.113 312 F HN -0.171 nan 8.300 nan 0.000 0.579 313 V N 2.507 122.415 119.914 -0.011 0.000 2.350 313 V HA 0.187 4.307 4.120 -0.000 0.000 0.276 313 V C 0.880 176.998 176.094 0.040 0.000 1.028 313 V CA -0.372 61.940 62.300 0.021 0.000 0.860 313 V CB 1.153 32.918 31.823 -0.096 0.000 0.990 313 V HN 0.337 nan 8.190 nan 0.000 0.453 314 E N 4.437 124.679 120.200 0.071 0.000 2.400 314 E HA 0.057 4.407 4.350 -0.000 0.000 0.195 314 E C 0.465 177.093 176.600 0.047 0.000 1.012 314 E CA 0.444 56.883 56.400 0.065 0.000 0.875 314 E CB 0.329 30.078 29.700 0.082 0.000 0.859 314 E HN 0.704 nan 8.360 nan 0.000 0.498 315 N N -1.154 117.573 118.700 0.046 0.000 2.446 315 N HA 0.365 5.105 4.740 -0.000 0.000 0.272 315 N C -2.378 173.141 175.510 0.015 0.000 1.127 315 N CA -0.692 52.374 53.050 0.025 0.000 0.896 315 N CB 2.181 40.714 38.487 0.078 0.000 1.658 315 N HN 0.168 nan 8.380 nan 0.000 0.483 316 C N 3.525 122.801 119.300 -0.040 0.000 2.924 316 C HA 0.779 5.239 4.460 -0.000 0.000 0.400 316 C C -1.698 173.252 174.990 -0.067 0.000 1.032 316 C CA -0.285 58.712 59.018 -0.035 0.000 1.236 316 C CB -0.253 27.456 27.740 -0.052 0.000 1.660 316 C HN 0.643 nan 8.230 nan 0.000 0.510 317 V N 5.341 125.241 119.914 -0.023 0.000 3.147 317 V HA 0.928 5.048 4.120 -0.000 0.000 0.306 317 V C -0.046 176.012 176.094 -0.060 0.000 1.209 317 V CA 0.293 62.572 62.300 -0.035 0.000 1.023 317 V CB 2.289 34.111 31.823 -0.002 0.000 1.059 317 V HN 1.448 nan 8.190 nan 0.000 0.435 318 A N 4.261 127.014 122.820 -0.113 0.000 2.310 318 A HA 0.904 5.224 4.320 -0.000 0.000 0.299 318 A C -0.853 176.564 177.584 -0.278 0.000 1.147 318 A CA -0.263 51.602 52.037 -0.286 0.000 0.818 318 A CB 0.539 19.393 19.000 -0.244 0.000 1.096 318 A HN 1.421 nan 8.150 nan 0.000 0.495 319 F N -0.093 119.607 119.950 -0.417 0.000 2.577 319 F HA 0.699 5.226 4.527 -0.000 0.000 0.318 319 F C -0.540 174.860 175.800 -0.666 0.000 1.065 319 F CA -1.641 56.081 58.000 -0.463 0.000 0.929 319 F CB 1.764 40.531 39.000 -0.389 0.000 1.237 319 F HN 0.531 nan 8.300 nan 0.000 0.468 320 N N 1.126 119.691 118.700 -0.225 0.000 2.607 320 N HA 0.166 4.906 4.740 -0.000 0.000 0.271 320 N C -1.801 173.632 175.510 -0.129 0.000 1.142 320 N CA -0.527 52.460 53.050 -0.104 0.000 0.810 320 N CB 0.460 38.979 38.487 0.053 0.000 1.306 320 N HN 0.701 nan 8.380 nan 0.000 0.536 321 H N 1.287 120.429 119.070 0.118 0.000 2.652 321 H HA 0.213 4.769 4.556 -0.000 0.000 0.298 321 H C -0.598 174.612 175.328 -0.198 0.000 1.076 321 H CA -0.066 55.953 56.048 -0.049 0.000 1.360 321 H CB 1.735 31.557 29.762 0.101 0.000 1.421 321 H HN 0.266 nan 8.280 nan 0.000 0.464 322 S N 4.186 119.675 115.700 -0.351 0.000 2.561 322 S HA 0.522 4.992 4.470 -0.000 0.000 0.303 322 S C -1.164 173.080 174.600 -0.593 0.000 1.110 322 S CA -0.509 57.501 58.200 -0.317 0.000 1.034 322 S CB 0.380 63.496 63.200 -0.140 0.000 1.010 322 S HN 0.408 nan 8.310 nan 0.000 0.482 323 Y N 1.195 121.547 120.300 0.087 0.000 2.805 323 Y HA 0.380 4.930 4.550 -0.000 0.000 0.321 323 Y C 2.040 177.971 175.900 0.051 0.000 1.203 323 Y CA -0.350 57.783 58.100 0.055 0.000 1.165 323 Y CB 0.324 38.795 38.460 0.019 0.000 1.371 323 Y HN 0.658 nan 8.280 nan 0.000 0.564 324 S N -0.138 115.706 115.700 0.240 0.000 2.383 324 S HA -0.191 4.279 4.470 -0.000 0.000 0.229 324 S C 0.697 175.379 174.600 0.137 0.000 1.030 324 S CA 2.002 60.299 58.200 0.162 0.000 1.002 324 S CB -0.423 62.866 63.200 0.148 0.000 0.829 324 S HN 0.818 nan 8.310 nan 0.000 0.467 325 D N -0.650 119.833 120.400 0.138 0.000 2.527 325 D HA 0.434 5.074 4.640 -0.000 0.000 0.224 325 D C 0.244 176.626 176.300 0.136 0.000 1.217 325 D CA 0.048 54.117 54.000 0.114 0.000 0.819 325 D CB 0.336 41.186 40.800 0.084 0.000 1.061 325 D HN 0.360 nan 8.370 nan 0.000 0.515 326 S N -1.852 113.959 115.700 0.185 0.000 2.663 326 S HA 0.666 5.136 4.470 -0.000 0.000 0.264 326 S C -1.413 173.371 174.600 0.307 0.000 1.112 326 S CA -0.170 58.166 58.200 0.226 0.000 0.823 326 S CB 1.044 64.427 63.200 0.305 0.000 1.111 326 S HN 0.599 nan 8.310 nan 0.000 0.476 327 G N 0.267 109.255 108.800 0.313 0.000 2.576 327 G HA2 0.619 4.579 3.960 -0.000 0.000 0.290 327 G HA3 0.619 4.579 3.960 -0.000 0.000 0.290 327 G C -2.140 172.942 174.900 0.303 0.000 1.442 327 G CA -0.563 44.731 45.100 0.323 0.000 0.792 327 G HN 0.783 nan 8.290 nan 0.000 0.491 328 I N 0.267 121.040 120.570 0.339 0.000 2.466 328 I HA 0.518 4.688 4.170 -0.000 0.000 0.289 328 I C -1.406 174.977 176.117 0.445 0.000 1.026 328 I CA -0.653 60.844 61.300 0.328 0.000 1.078 328 I CB 2.215 40.380 38.000 0.277 0.000 1.249 328 I HN 0.404 nan 8.210 nan 0.000 0.429 329 F N 4.866 124.939 119.950 0.204 0.000 2.529 329 F HA 0.875 5.402 4.527 -0.000 0.000 0.320 329 F C 0.134 175.896 175.800 -0.064 0.000 1.118 329 F CA -0.042 57.996 58.000 0.064 0.000 0.915 329 F CB 1.885 40.814 39.000 -0.118 0.000 1.161 329 F HN 0.547 nan 8.300 nan 0.000 0.445 330 G N 4.858 112.959 108.800 -1.166 0.000 2.348 330 G HA2 0.410 4.370 3.960 -0.000 0.000 0.296 330 G HA3 0.410 4.370 3.960 -0.000 0.000 0.296 330 G C -2.099 171.900 174.900 -1.502 0.000 1.258 330 G CA -0.819 43.693 45.100 -0.979 0.000 0.868 330 G HN 0.653 nan 8.290 nan 0.000 0.488 331 I N 0.710 120.838 120.570 -0.738 0.000 2.569 331 I HA 0.584 4.754 4.170 -0.000 0.000 0.296 331 I C 0.007 176.116 176.117 -0.014 0.000 1.028 331 I CA -0.830 60.240 61.300 -0.384 0.000 1.082 331 I CB 2.226 40.132 38.000 -0.156 0.000 1.264 331 I HN 0.461 nan 8.210 nan 0.000 0.429 332 S N 6.278 122.055 115.700 0.129 0.000 2.549 332 S HA 0.763 5.233 4.470 -0.000 0.000 0.297 332 S C -1.179 173.499 174.600 0.130 0.000 1.115 332 S CA -0.536 57.802 58.200 0.230 0.000 1.059 332 S CB 1.302 64.672 63.200 0.284 0.000 1.046 332 S HN 0.472 nan 8.310 nan 0.000 0.506 333 L N 3.291 124.604 121.223 0.150 0.000 2.493 333 L HA 0.649 4.989 4.340 -0.000 0.000 0.265 333 L C -1.353 175.636 176.870 0.199 0.000 0.954 333 L CA -0.106 54.816 54.840 0.137 0.000 0.844 333 L CB 1.715 43.841 42.059 0.113 0.000 1.302 333 L HN 0.727 nan 8.230 nan 0.000 0.405 334 S N 3.649 119.458 115.700 0.182 0.000 2.502 334 S HA 0.869 5.339 4.470 -0.000 0.000 0.304 334 S C -0.384 174.288 174.600 0.120 0.000 1.097 334 S CA -0.472 57.839 58.200 0.185 0.000 1.045 334 S CB 1.413 64.779 63.200 0.277 0.000 1.019 334 S HN 0.919 nan 8.310 nan 0.000 0.481 335 C N 1.716 121.069 119.300 0.089 0.000 3.340 335 C HA 0.702 5.162 4.460 -0.000 0.000 0.333 335 C C -0.930 174.065 174.990 0.009 0.000 1.464 335 C CA -1.119 57.962 59.018 0.106 0.000 1.337 335 C CB -0.210 27.641 27.740 0.186 0.000 1.740 335 C HN 0.614 nan 8.230 nan 0.000 0.450 336 I N 2.304 122.882 120.570 0.014 0.000 2.529 336 I HA 0.264 4.434 4.170 -0.000 0.000 0.284 336 I C -1.137 174.770 176.117 -0.350 0.000 1.082 336 I CA -2.237 58.992 61.300 -0.119 0.000 1.406 336 I CB 0.414 38.393 38.000 -0.034 0.000 1.405 336 I HN 0.537 nan 8.210 nan 0.000 0.548 337 P HA -0.234 nan 4.420 nan 0.000 0.218 337 P C 1.253 178.139 177.300 -0.689 0.000 1.154 337 P CA 1.565 63.944 63.100 -1.203 0.000 0.872 337 P CB 0.254 31.276 31.700 -1.131 0.000 0.790 338 Q N -1.002 118.541 119.800 -0.428 0.000 2.170 338 Q HA -0.074 4.266 4.340 -0.000 0.000 0.203 338 Q C 2.137 177.928 176.000 -0.347 0.000 0.976 338 Q CA 1.894 57.507 55.803 -0.317 0.000 0.858 338 Q CB -1.246 27.358 28.738 -0.224 0.000 0.907 338 Q HN 0.243 nan 8.270 nan 0.000 0.433 339 A N -0.119 122.471 122.820 -0.384 0.000 2.178 339 A HA 0.285 4.605 4.320 -0.000 0.000 0.211 339 A C 2.129 179.505 177.584 -0.346 0.000 1.157 339 A CA 0.800 52.538 52.037 -0.498 0.000 0.780 339 A CB -0.528 18.085 19.000 -0.646 0.000 0.828 339 A HN 0.309 nan 8.150 nan 0.000 0.476 340 A N 1.368 123.983 122.820 -0.340 0.000 1.954 340 A HA -0.191 4.129 4.320 -0.000 0.000 0.222 340 A C 0.141 177.545 177.584 -0.301 0.000 1.199 340 A CA 2.324 54.121 52.037 -0.400 0.000 0.657 340 A CB -1.831 16.780 19.000 -0.647 0.000 0.823 340 A HN 0.452 nan 8.150 nan 0.000 0.463 341 P HA -0.158 nan 4.420 nan 0.000 0.220 341 P C 1.197 178.443 177.300 -0.089 0.000 1.144 341 P CA 1.533 64.547 63.100 -0.143 0.000 0.800 341 P CB -0.061 31.554 31.700 -0.143 0.000 0.772 342 Q N -1.851 117.868 119.800 -0.135 0.000 2.384 342 Q HA 0.203 4.543 4.340 -0.000 0.000 0.207 342 Q C 2.065 178.040 176.000 -0.042 0.000 0.904 342 Q CA 0.354 56.096 55.803 -0.101 0.000 0.933 342 Q CB -0.265 28.360 28.738 -0.189 0.000 1.077 342 Q HN 0.118 nan 8.270 nan 0.000 0.522 343 A N 0.904 123.733 122.820 0.015 0.000 1.869 343 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 343 A C 2.261 179.891 177.584 0.076 0.000 1.203 343 A CA 1.924 54.017 52.037 0.094 0.000 0.638 343 A CB -1.048 18.102 19.000 0.249 0.000 0.831 343 A HN 0.203 nan 8.150 nan 0.000 0.450 344 V N -0.057 119.928 119.914 0.119 0.000 2.252 344 V HA -0.345 3.775 4.120 -0.000 0.000 0.249 344 V C 2.581 178.658 176.094 -0.027 0.000 1.056 344 V CA 2.676 65.013 62.300 0.061 0.000 1.022 344 V CB -0.891 30.985 31.823 0.088 0.000 0.641 344 V HN 0.807 nan 8.190 nan 0.000 0.445 345 E N -0.073 120.108 120.200 -0.032 0.000 2.058 345 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 345 E C 2.140 178.634 176.600 -0.177 0.000 0.997 345 E CA 1.827 58.164 56.400 -0.106 0.000 0.801 345 E CB -0.136 29.561 29.700 -0.005 0.000 0.746 345 E HN 0.388 nan 8.360 nan 0.000 0.450 346 V N 1.291 121.136 119.914 -0.115 0.000 2.250 346 V HA -0.338 3.782 4.120 -0.000 0.000 0.250 346 V C 2.406 178.433 176.094 -0.112 0.000 1.060 346 V CA 2.173 64.401 62.300 -0.120 0.000 1.030 346 V CB -0.547 31.177 31.823 -0.165 0.000 0.643 346 V HN 0.373 nan 8.190 nan 0.000 0.445 347 I N 0.342 120.854 120.570 -0.096 0.000 2.127 347 I HA -0.286 3.884 4.170 -0.000 0.000 0.241 347 I C 2.731 178.748 176.117 -0.168 0.000 1.075 347 I CA 1.670 62.915 61.300 -0.091 0.000 1.334 347 I CB -0.748 37.226 38.000 -0.042 0.000 1.040 347 I HN 0.321 nan 8.210 nan 0.000 0.405 348 A N 0.174 122.842 122.820 -0.254 0.000 1.917 348 A HA -0.299 4.021 4.320 -0.000 0.000 0.219 348 A C 2.265 179.530 177.584 -0.531 0.000 1.182 348 A CA 1.879 53.661 52.037 -0.425 0.000 0.633 348 A CB -0.732 17.864 19.000 -0.673 0.000 0.819 348 A HN 0.509 nan 8.150 nan 0.000 0.448 349 Q N -1.082 118.401 119.800 -0.529 0.000 2.030 349 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 349 Q C 2.404 178.385 176.000 -0.032 0.000 0.986 349 Q CA 1.592 57.252 55.803 -0.239 0.000 0.843 349 Q CB -0.229 28.458 28.738 -0.084 0.000 0.904 349 Q HN 0.655 nan 8.270 nan 0.000 0.420 350 Q N 0.142 119.909 119.800 -0.054 0.000 2.096 350 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 350 Q C 2.016 177.965 176.000 -0.085 0.000 0.982 350 Q CA 1.547 57.337 55.803 -0.022 0.000 0.850 350 Q CB -0.388 28.329 28.738 -0.036 0.000 0.901 350 Q HN 0.498 nan 8.270 nan 0.000 0.422 351 M N -0.881 118.574 119.600 -0.243 0.000 2.086 351 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 351 M C 2.133 178.307 176.300 -0.210 0.000 1.067 351 M CA 1.526 56.458 55.300 -0.613 0.000 1.116 351 M CB -0.519 31.456 32.600 -1.041 0.000 1.348 351 M HN 0.136 nan 8.290 nan 0.000 0.407 352 Y N 1.817 122.008 120.300 -0.181 0.000 2.128 352 Y HA -0.257 4.293 4.550 -0.000 0.000 0.284 352 Y C 1.943 177.723 175.900 -0.200 0.000 1.154 352 Y CA 1.739 59.747 58.100 -0.154 0.000 1.149 352 Y CB -0.313 38.146 38.460 -0.001 0.000 0.976 352 Y HN 0.261 nan 8.280 nan 0.000 0.505 353 N N -0.286 118.473 118.700 0.100 0.000 2.635 353 N HA -0.111 4.629 4.740 -0.000 0.000 0.191 353 N C 1.543 177.066 175.510 0.022 0.000 1.155 353 N CA 1.415 54.501 53.050 0.061 0.000 0.927 353 N CB -0.610 37.970 38.487 0.155 0.000 0.976 353 N HN 0.633 nan 8.380 nan 0.000 0.448 354 T N -3.043 111.560 114.554 0.083 0.000 3.081 354 T HA 0.053 4.403 4.350 -0.000 0.000 0.255 354 T C 1.195 176.049 174.700 0.257 0.000 1.113 354 T CA 0.277 62.493 62.100 0.193 0.000 1.082 354 T CB -0.177 68.881 68.868 0.317 0.000 0.939 354 T HN 0.299 nan 8.240 nan 0.000 0.506 355 F N -0.691 119.211 119.950 -0.080 0.000 2.706 355 F HA 0.726 5.253 4.527 -0.000 0.000 0.370 355 F C 1.558 177.237 175.800 -0.202 0.000 0.828 355 F CA -0.344 57.594 58.000 -0.103 0.000 1.028 355 F CB -0.119 38.845 39.000 -0.061 0.000 0.981 355 F HN 0.091 nan 8.300 nan 0.000 0.617 356 A N 0.499 122.392 122.820 -1.545 0.000 2.307 356 A HA 0.268 4.588 4.320 -0.000 0.000 0.218 356 A C 0.436 177.471 177.584 -0.916 0.000 1.228 356 A CA 0.210 51.423 52.037 -1.373 0.000 0.857 356 A CB -0.714 17.052 19.000 -2.056 0.000 0.897 356 A HN 0.328 nan 8.150 nan 0.000 0.495 357 N N 1.069 119.442 118.700 -0.546 0.000 2.621 357 N HA 0.095 4.835 4.740 -0.000 0.000 0.237 357 N C 0.856 176.322 175.510 -0.072 0.000 0.997 357 N CA -0.172 52.796 53.050 -0.138 0.000 0.918 357 N CB 0.881 39.394 38.487 0.044 0.000 1.122 357 N HN 0.455 nan 8.380 nan 0.000 0.510 358 K N 1.513 121.883 120.400 -0.049 0.000 2.218 358 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 358 K C -0.083 176.517 176.600 0.001 0.000 1.046 358 K CA 1.264 57.537 56.287 -0.024 0.000 0.933 358 K CB 0.245 32.737 32.500 -0.013 0.000 0.728 358 K HN 0.309 nan 8.250 nan 0.000 0.454 359 D N 0.421 120.831 120.400 0.017 0.000 2.350 359 D HA 0.082 4.722 4.640 -0.000 0.000 0.213 359 D C 0.891 177.215 176.300 0.040 0.000 1.031 359 D CA 0.505 54.521 54.000 0.027 0.000 0.861 359 D CB 0.414 41.232 40.800 0.030 0.000 0.926 359 D HN 0.227 nan 8.370 nan 0.000 0.520 360 L N 0.752 122.002 121.223 0.045 0.000 3.288 360 L HA 0.223 4.563 4.340 -0.000 0.000 0.293 360 L C 0.316 177.218 176.870 0.053 0.000 1.294 360 L CA -0.505 54.378 54.840 0.072 0.000 1.006 360 L CB 0.763 42.891 42.059 0.114 0.000 1.407 360 L HN -0.291 nan 8.230 nan 0.000 0.592 361 R N 0.787 121.305 120.500 0.030 0.000 2.817 361 R HA 0.118 4.458 4.340 -0.000 0.000 0.264 361 R C -0.210 176.114 176.300 0.040 0.000 1.009 361 R CA 0.320 56.434 56.100 0.024 0.000 1.133 361 R CB 0.249 30.559 30.300 0.016 0.000 1.013 361 R HN 0.158 nan 8.270 nan 0.000 0.453 362 L N 2.912 124.160 121.223 0.042 0.000 2.433 362 L HA 0.128 4.468 4.340 -0.000 0.000 0.275 362 L C 0.814 177.704 176.870 0.033 0.000 1.128 362 L CA -0.134 54.732 54.840 0.043 0.000 0.875 362 L CB 0.325 42.411 42.059 0.045 0.000 1.171 362 L HN 0.770 nan 8.230 nan 0.000 0.463 363 T N -1.055 113.519 114.554 0.035 0.000 2.882 363 T HA 0.116 4.466 4.350 -0.000 0.000 0.287 363 T C 1.093 175.804 174.700 0.019 0.000 1.014 363 T CA -0.808 61.308 62.100 0.026 0.000 1.049 363 T CB 1.430 70.315 68.868 0.030 0.000 1.001 363 T HN 0.536 nan 8.240 nan 0.000 0.525 364 E N 1.284 121.492 120.200 0.012 0.000 2.085 364 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 364 E C 1.720 178.322 176.600 0.003 0.000 0.994 364 E CA 1.558 57.962 56.400 0.006 0.000 0.801 364 E CB -0.198 29.503 29.700 0.002 0.000 0.743 364 E HN 0.721 nan 8.360 nan 0.000 0.453 365 D N 0.768 121.169 120.400 0.002 0.000 2.084 365 D HA -0.146 4.494 4.640 -0.000 0.000 0.194 365 D C 1.902 178.203 176.300 0.001 0.000 0.990 365 D CA 0.913 54.909 54.000 -0.006 0.000 0.826 365 D CB -0.169 40.624 40.800 -0.012 0.000 0.971 365 D HN 0.324 nan 8.370 nan 0.000 0.453 366 E N 0.494 120.703 120.200 0.015 0.000 2.049 366 E HA -0.156 4.194 4.350 -0.000 0.000 0.198 366 E C 2.373 178.989 176.600 0.026 0.000 1.007 366 E CA 0.885 57.301 56.400 0.027 0.000 0.809 366 E CB -0.061 29.661 29.700 0.036 0.000 0.749 366 E HN 0.056 nan 8.360 nan 0.000 0.450 367 V N 0.757 120.685 119.914 0.022 0.000 2.343 367 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 367 V C 2.438 178.540 176.094 0.014 0.000 1.051 367 V CA 1.911 64.223 62.300 0.020 0.000 1.036 367 V CB -0.384 31.448 31.823 0.016 0.000 0.654 367 V HN 0.259 nan 8.190 nan 0.000 0.451 368 S N -0.598 115.106 115.700 0.007 0.000 2.383 368 S HA -0.228 4.242 4.470 -0.000 0.000 0.227 368 S C 2.212 176.813 174.600 0.002 0.000 1.026 368 S CA 1.857 60.058 58.200 0.001 0.000 0.981 368 S CB -0.277 62.919 63.200 -0.007 0.000 0.818 368 S HN 0.581 nan 8.310 nan 0.000 0.472 369 R N 0.488 120.991 120.500 0.004 0.000 2.066 369 R HA 0.013 4.353 4.340 -0.000 0.000 0.232 369 R C 2.392 178.707 176.300 0.024 0.000 1.131 369 R CA 1.376 57.481 56.100 0.008 0.000 0.955 369 R CB -0.740 29.563 30.300 0.005 0.000 0.851 369 R HN 0.413 nan 8.270 nan 0.000 0.432 370 A N 1.467 124.307 122.820 0.032 0.000 1.883 370 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 370 A C 2.037 179.643 177.584 0.036 0.000 1.186 370 A CA 1.876 53.938 52.037 0.042 0.000 0.624 370 A CB -0.458 18.570 19.000 0.047 0.000 0.822 370 A HN 0.397 nan 8.150 nan 0.000 0.444 371 K N -0.311 120.105 120.400 0.026 0.000 2.044 371 K HA -0.173 4.147 4.320 -0.000 0.000 0.210 371 K C 1.822 178.430 176.600 0.014 0.000 1.049 371 K CA 1.604 57.902 56.287 0.018 0.000 0.927 371 K CB -0.286 32.218 32.500 0.006 0.000 0.713 371 K HN 0.425 nan 8.250 nan 0.000 0.443 372 N N 1.047 119.753 118.700 0.010 0.000 2.223 372 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 372 N C 1.722 177.243 175.510 0.018 0.000 1.016 372 N CA 1.167 54.222 53.050 0.008 0.000 0.863 372 N CB -0.061 38.428 38.487 0.004 0.000 0.983 372 N HN 0.347 nan 8.380 nan 0.000 0.429 373 Q N -0.018 119.798 119.800 0.027 0.000 2.172 373 Q HA -0.048 4.292 4.340 -0.000 0.000 0.200 373 Q C 1.924 177.947 176.000 0.039 0.000 0.964 373 Q CA 0.536 56.360 55.803 0.036 0.000 0.855 373 Q CB -0.029 28.736 28.738 0.046 0.000 0.918 373 Q HN 0.216 nan 8.270 nan 0.000 0.444 374 L N 1.330 122.578 121.223 0.041 0.000 1.988 374 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 374 L C 1.895 178.789 176.870 0.041 0.000 1.071 374 L CA 1.847 56.717 54.840 0.050 0.000 0.744 374 L CB -0.318 41.779 42.059 0.063 0.000 0.893 374 L HN -0.055 nan 8.230 nan 0.000 0.433 375 K N -0.728 119.687 120.400 0.024 0.000 2.074 375 K HA -0.219 4.101 4.320 -0.000 0.000 0.209 375 K C 2.322 178.932 176.600 0.016 0.000 1.048 375 K CA 1.700 57.993 56.287 0.009 0.000 0.926 375 K CB -0.591 31.904 32.500 -0.008 0.000 0.713 375 K HN 0.437 nan 8.250 nan 0.000 0.444 376 S N 1.093 116.804 115.700 0.018 0.000 2.351 376 S HA -0.192 4.278 4.470 -0.000 0.000 0.220 376 S C 2.199 176.814 174.600 0.025 0.000 1.035 376 S CA 2.198 60.410 58.200 0.020 0.000 1.031 376 S CB -0.369 62.845 63.200 0.022 0.000 0.928 376 S HN 0.487 nan 8.310 nan 0.000 0.433 377 S N 1.287 117.006 115.700 0.031 0.000 2.402 377 S HA 0.014 4.484 4.470 -0.000 0.000 0.229 377 S C 1.948 176.569 174.600 0.034 0.000 1.021 377 S CA 1.124 59.344 58.200 0.034 0.000 0.974 377 S CB -0.779 62.444 63.200 0.038 0.000 0.800 377 S HN 0.536 nan 8.310 nan 0.000 0.484 378 L N 0.698 121.943 121.223 0.037 0.000 1.988 378 L HA -0.023 4.317 4.340 -0.000 0.000 0.207 378 L C 2.755 179.643 176.870 0.030 0.000 1.071 378 L CA 1.410 56.274 54.840 0.040 0.000 0.744 378 L CB -0.757 41.332 42.059 0.050 0.000 0.893 378 L HN 0.300 nan 8.230 nan 0.000 0.433 379 L N -0.864 120.373 121.223 0.023 0.000 2.043 379 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 379 L C 2.712 179.594 176.870 0.020 0.000 1.075 379 L CA 1.494 56.344 54.840 0.017 0.000 0.752 379 L CB -0.402 41.664 42.059 0.011 0.000 0.891 379 L HN 0.347 nan 8.230 nan 0.000 0.432 380 M N -1.069 118.545 119.600 0.023 0.000 2.132 380 M HA -0.211 4.269 4.480 -0.000 0.000 0.263 380 M C 2.062 178.379 176.300 0.028 0.000 1.065 380 M CA 1.644 56.958 55.300 0.025 0.000 1.122 380 M CB -0.619 31.996 32.600 0.025 0.000 1.365 380 M HN 0.324 nan 8.290 nan 0.000 0.411 381 N N 0.597 119.314 118.700 0.029 0.000 2.104 381 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 381 N C 1.336 176.865 175.510 0.032 0.000 1.024 381 N CA 1.002 54.071 53.050 0.031 0.000 0.853 381 N CB 0.089 38.595 38.487 0.031 0.000 1.008 381 N HN 0.147 nan 8.380 nan 0.000 0.424 382 L N 1.959 123.199 121.223 0.028 0.000 2.633 382 L HA -0.034 4.306 4.340 -0.000 0.000 0.235 382 L C 1.680 178.566 176.870 0.026 0.000 1.163 382 L CA 1.149 56.004 54.840 0.025 0.000 0.859 382 L CB -0.741 41.330 42.059 0.019 0.000 0.973 382 L HN 0.155 nan 8.230 nan 0.000 0.451 383 E N -1.577 118.640 120.200 0.029 0.000 2.208 383 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 383 E C 0.941 177.565 176.600 0.040 0.000 0.988 383 E CA 0.191 56.609 56.400 0.031 0.000 0.828 383 E CB 0.147 29.867 29.700 0.033 0.000 0.763 383 E HN 0.288 nan 8.360 nan 0.000 0.478 384 S N 0.540 116.269 115.700 0.049 0.000 2.499 384 S HA 0.071 4.541 4.470 -0.000 0.000 0.275 384 S C 0.850 175.492 174.600 0.070 0.000 1.257 384 S CA -0.404 57.838 58.200 0.069 0.000 1.050 384 S CB 0.941 64.182 63.200 0.068 0.000 0.937 384 S HN 0.035 nan 8.310 nan 0.000 0.490 385 K N 3.415 123.869 120.400 0.089 0.000 2.063 385 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 385 K C 1.591 178.254 176.600 0.104 0.000 1.048 385 K CA 1.174 57.507 56.287 0.077 0.000 0.928 385 K CB -0.188 32.357 32.500 0.075 0.000 0.713 385 K HN 0.524 nan 8.250 nan 0.000 0.442 386 L N 0.574 121.873 121.223 0.127 0.000 2.083 386 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 386 L C 2.267 179.191 176.870 0.090 0.000 1.083 386 L CA 1.370 56.278 54.840 0.112 0.000 0.752 386 L CB -0.930 41.185 42.059 0.095 0.000 0.899 386 L HN -0.000 nan 8.230 nan 0.000 0.433 387 V N -0.495 119.462 119.914 0.072 0.000 2.453 387 V HA -0.233 3.886 4.120 -0.000 0.000 0.247 387 V C 2.557 178.677 176.094 0.043 0.000 1.048 387 V CA 1.453 63.786 62.300 0.055 0.000 1.049 387 V CB -0.329 31.522 31.823 0.046 0.000 0.672 387 V HN 0.477 nan 8.190 nan 0.000 0.457 388 E N 0.000 120.226 120.200 0.043 0.000 2.051 388 E HA -0.267 4.083 4.350 -0.000 0.000 0.192 388 E C 2.219 178.834 176.600 0.025 0.000 0.991 388 E CA 1.607 58.024 56.400 0.028 0.000 0.799 388 E CB -0.127 29.592 29.700 0.032 0.000 0.748 388 E HN 0.439 nan 8.360 nan 0.000 0.449 389 L N 1.709 122.965 121.223 0.056 0.000 1.970 389 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 389 L C 2.377 179.259 176.870 0.019 0.000 1.071 389 L CA 2.470 57.350 54.840 0.067 0.000 0.751 389 L CB -0.603 41.533 42.059 0.129 0.000 0.889 389 L HN 0.222 nan 8.230 nan 0.000 0.432 390 E N -0.894 119.355 120.200 0.080 0.000 2.077 390 E HA -0.316 4.034 4.350 -0.000 0.000 0.193 390 E C 1.907 178.463 176.600 -0.074 0.000 0.989 390 E CA 1.570 58.019 56.400 0.082 0.000 0.800 390 E CB -0.235 29.552 29.700 0.145 0.000 0.746 390 E HN 0.726 nan 8.360 nan 0.000 0.452 391 D N -0.113 120.261 120.400 -0.043 0.000 2.144 391 D HA -0.216 4.424 4.640 -0.000 0.000 0.199 391 D C 2.162 178.382 176.300 -0.135 0.000 0.984 391 D CA 1.510 55.471 54.000 -0.065 0.000 0.834 391 D CB -0.109 40.673 40.800 -0.031 0.000 0.955 391 D HN 0.253 nan 8.370 nan 0.000 0.465 392 M N -0.379 119.133 119.600 -0.146 0.000 2.099 392 M HA -0.027 4.453 4.480 -0.000 0.000 0.262 392 M C 2.190 178.327 176.300 -0.272 0.000 1.067 392 M CA 2.087 57.283 55.300 -0.173 0.000 1.124 392 M CB -0.464 32.089 32.600 -0.080 0.000 1.353 392 M HN 0.156 nan 8.290 nan 0.000 0.410 393 G N 0.560 109.053 108.800 -0.511 0.000 2.476 393 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 393 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 393 G C 1.533 176.094 174.900 -0.565 0.000 1.164 393 G CA 1.021 45.563 45.100 -0.931 0.000 0.768 393 G HN 0.499 nan 8.290 nan 0.000 0.560 394 R N -0.173 120.081 120.500 -0.409 0.000 2.092 394 R HA -0.008 4.332 4.340 -0.000 0.000 0.231 394 R C 2.792 178.966 176.300 -0.210 0.000 1.119 394 R CA 1.240 57.228 56.100 -0.186 0.000 0.970 394 R CB -0.339 29.914 30.300 -0.079 0.000 0.864 394 R HN 0.435 nan 8.270 nan 0.000 0.440 395 Q N 0.202 119.854 119.800 -0.248 0.000 2.084 395 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 395 Q C 2.235 177.971 176.000 -0.440 0.000 0.978 395 Q CA 1.458 57.035 55.803 -0.378 0.000 0.844 395 Q CB 0.051 28.645 28.738 -0.239 0.000 0.898 395 Q HN 0.179 nan 8.270 nan 0.000 0.426 396 V N 0.872 120.645 119.914 -0.235 0.000 2.358 396 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 396 V C 2.181 178.211 176.094 -0.106 0.000 1.047 396 V CA 1.175 63.409 62.300 -0.109 0.000 1.035 396 V CB -0.452 31.379 31.823 0.014 0.000 0.658 396 V HN 0.303 nan 8.190 nan 0.000 0.452 397 L N -0.657 120.498 121.223 -0.113 0.000 2.042 397 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 397 L C 2.281 179.112 176.870 -0.064 0.000 1.076 397 L CA 2.293 57.103 54.840 -0.051 0.000 0.749 397 L CB -0.514 41.537 42.059 -0.014 0.000 0.893 397 L HN 0.300 nan 8.230 nan 0.000 0.432 398 M N -1.373 118.136 119.600 -0.152 0.000 2.134 398 M HA -0.131 4.349 4.480 -0.000 0.000 0.262 398 M C 0.857 177.126 176.300 -0.052 0.000 1.076 398 M CA 1.881 57.115 55.300 -0.110 0.000 1.143 398 M CB -0.034 32.492 32.600 -0.123 0.000 1.346 398 M HN 0.599 nan 8.290 nan 0.000 0.421 399 H N -2.715 116.369 119.070 0.024 0.000 2.665 399 H HA 0.500 5.056 4.556 -0.000 0.000 0.248 399 H C 0.574 175.921 175.328 0.033 0.000 1.175 399 H CA -0.047 56.016 56.048 0.025 0.000 0.952 399 H CB -0.658 29.113 29.762 0.015 0.000 1.883 399 H HN 0.443 nan 8.280 nan 0.000 0.623 400 G N 2.013 110.824 108.800 0.018 0.000 2.395 400 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.300 400 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.300 400 G C -0.001 174.982 174.900 0.138 0.000 0.998 400 G CA 0.710 45.853 45.100 0.070 0.000 1.046 400 G HN 0.931 nan 8.290 nan 0.000 0.513 401 R N -2.226 118.350 120.500 0.126 0.000 2.709 401 R HA 0.680 5.020 4.340 -0.000 0.000 0.270 401 R C -1.263 175.002 176.300 -0.058 0.000 1.038 401 R CA -1.255 54.937 56.100 0.152 0.000 0.872 401 R CB 1.136 31.542 30.300 0.176 0.000 1.259 401 R HN 0.123 nan 8.270 nan 0.000 0.473 402 K N 2.831 122.998 120.400 -0.388 0.000 2.425 402 K HA 0.323 4.643 4.320 -0.000 0.000 0.259 402 K C -0.542 175.871 176.600 -0.313 0.000 0.978 402 K CA -0.757 55.191 56.287 -0.564 0.000 0.883 402 K CB 1.364 33.080 32.500 -1.308 0.000 1.110 402 K HN 0.701 nan 8.250 nan 0.000 0.436 403 I N 6.863 127.368 120.570 -0.108 0.000 2.668 403 I HA 0.098 4.268 4.170 -0.000 0.000 0.285 403 I C -1.947 174.127 176.117 -0.072 0.000 1.168 403 I CA -1.504 59.769 61.300 -0.044 0.000 1.424 403 I CB 0.821 38.838 38.000 0.030 0.000 1.377 403 I HN 0.557 nan 8.210 nan 0.000 0.560 404 P HA -0.000 nan 4.420 nan 0.000 0.271 404 P C 1.000 178.283 177.300 -0.028 0.000 1.216 404 P CA -0.204 62.872 63.100 -0.040 0.000 0.771 404 P CB 1.323 33.016 31.700 -0.012 0.000 0.864 405 V N 3.688 123.586 119.914 -0.026 0.000 2.317 405 V HA -0.340 3.780 4.120 -0.000 0.000 0.251 405 V C 2.320 178.393 176.094 -0.036 0.000 1.065 405 V CA 2.456 64.742 62.300 -0.023 0.000 1.049 405 V CB -1.545 30.268 31.823 -0.016 0.000 0.651 405 V HN 0.605 nan 8.190 nan 0.000 0.450 406 N N -0.218 118.464 118.700 -0.031 0.000 2.036 406 N HA -0.295 4.445 4.740 -0.000 0.000 0.195 406 N C 2.003 177.478 175.510 -0.058 0.000 1.037 406 N CA 1.653 54.680 53.050 -0.038 0.000 0.855 406 N CB -0.259 38.214 38.487 -0.025 0.000 1.033 406 N HN 0.640 nan 8.380 nan 0.000 0.423 407 E N 1.055 121.225 120.200 -0.051 0.000 2.085 407 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 407 E C 2.120 178.643 176.600 -0.127 0.000 0.994 407 E CA 1.004 57.366 56.400 -0.063 0.000 0.801 407 E CB -0.029 29.653 29.700 -0.030 0.000 0.743 407 E HN 0.332 nan 8.360 nan 0.000 0.453 408 M N 0.413 119.938 119.600 -0.125 0.000 2.086 408 M HA -0.193 4.287 4.480 -0.000 0.000 0.261 408 M C 2.111 178.194 176.300 -0.361 0.000 1.067 408 M CA 1.626 56.774 55.300 -0.253 0.000 1.116 408 M CB -0.130 32.427 32.600 -0.072 0.000 1.348 408 M HN 0.172 nan 8.290 nan 0.000 0.407 409 I N -0.196 120.258 120.570 -0.192 0.000 2.179 409 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 409 I C 2.383 178.395 176.117 -0.174 0.000 1.088 409 I CA 1.398 62.603 61.300 -0.159 0.000 1.357 409 I CB -0.474 37.473 38.000 -0.088 0.000 1.051 409 I HN 0.355 nan 8.210 nan 0.000 0.409 410 S N 0.721 116.330 115.700 -0.151 0.000 2.353 410 S HA -0.236 4.234 4.470 -0.000 0.000 0.222 410 S C 1.924 176.428 174.600 -0.161 0.000 1.035 410 S CA 1.476 59.602 58.200 -0.124 0.000 1.025 410 S CB -0.292 62.853 63.200 -0.093 0.000 0.902 410 S HN 0.365 nan 8.310 nan 0.000 0.440 411 K N 0.540 120.794 120.400 -0.244 0.000 2.160 411 K HA -0.050 4.270 4.320 -0.000 0.000 0.206 411 K C 1.914 178.357 176.600 -0.263 0.000 1.047 411 K CA 1.150 57.279 56.287 -0.264 0.000 0.930 411 K CB -0.312 31.949 32.500 -0.398 0.000 0.720 411 K HN 0.394 nan 8.250 nan 0.000 0.450 412 I N 0.685 121.057 120.570 -0.330 0.000 2.277 412 I HA -0.190 3.980 4.170 -0.000 0.000 0.243 412 I C 1.928 177.989 176.117 -0.092 0.000 1.094 412 I CA 1.094 62.284 61.300 -0.183 0.000 1.393 412 I CB -0.194 37.705 38.000 -0.169 0.000 1.078 412 I HN 0.164 nan 8.210 nan 0.000 0.417 413 E N 0.874 121.017 120.200 -0.094 0.000 2.204 413 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 413 E C 1.002 177.575 176.600 -0.046 0.000 0.990 413 E CA 0.967 57.332 56.400 -0.058 0.000 0.821 413 E CB -0.063 29.604 29.700 -0.056 0.000 0.750 413 E HN 0.459 nan 8.360 nan 0.000 0.477 414 D N 0.288 120.656 120.400 -0.053 0.000 2.349 414 D HA 0.027 4.667 4.640 -0.000 0.000 0.224 414 D C 0.389 176.675 176.300 -0.024 0.000 1.029 414 D CA 0.313 54.291 54.000 -0.036 0.000 0.879 414 D CB 0.104 40.881 40.800 -0.039 0.000 0.906 414 D HN 0.130 nan 8.370 nan 0.000 0.528 415 L N 0.852 122.062 121.223 -0.021 0.000 2.426 415 L HA 0.144 4.484 4.340 -0.000 0.000 0.271 415 L C 0.576 177.443 176.870 -0.005 0.000 1.169 415 L CA 0.336 55.172 54.840 -0.006 0.000 0.836 415 L CB 0.573 42.635 42.059 0.005 0.000 1.112 415 L HN -0.342 nan 8.230 nan 0.000 0.465 416 K N 3.286 123.685 120.400 -0.003 0.000 2.328 416 K HA 0.357 4.677 4.320 -0.000 0.000 0.246 416 K C -1.874 174.727 176.600 0.001 0.000 0.955 416 K CA -1.556 54.730 56.287 -0.002 0.000 0.817 416 K CB 1.741 34.239 32.500 -0.004 0.000 1.208 416 K HN 0.090 nan 8.250 nan 0.000 0.432 417 P HA -0.259 nan 4.420 nan 0.000 0.218 417 P C 0.208 177.512 177.300 0.007 0.000 1.154 417 P CA 1.434 64.539 63.100 0.009 0.000 0.872 417 P CB 0.229 31.936 31.700 0.011 0.000 0.790 418 D N -0.949 119.453 120.400 0.004 0.000 2.144 418 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 418 D C 1.521 177.816 176.300 -0.008 0.000 0.984 418 D CA 1.032 55.033 54.000 0.001 0.000 0.834 418 D CB -0.618 40.181 40.800 -0.001 0.000 0.955 418 D HN 0.230 nan 8.370 nan 0.000 0.465 419 D N 0.681 121.074 120.400 -0.011 0.000 2.104 419 D HA -0.130 4.510 4.640 -0.000 0.000 0.194 419 D C 2.205 178.484 176.300 -0.035 0.000 0.994 419 D CA 0.547 54.535 54.000 -0.020 0.000 0.830 419 D CB -0.048 40.747 40.800 -0.009 0.000 0.959 419 D HN 0.220 nan 8.370 nan 0.000 0.452 420 I N 1.039 121.594 120.570 -0.024 0.000 2.315 420 I HA -0.156 4.014 4.170 -0.000 0.000 0.248 420 I C 2.397 178.490 176.117 -0.041 0.000 1.117 420 I CA 0.833 62.112 61.300 -0.035 0.000 1.404 420 I CB -1.283 36.714 38.000 -0.004 0.000 1.071 420 I HN -0.134 nan 8.210 nan 0.000 0.419 421 S N 0.469 116.163 115.700 -0.010 0.000 2.368 421 S HA -0.141 4.329 4.470 -0.000 0.000 0.224 421 S C 2.129 176.707 174.600 -0.037 0.000 1.029 421 S CA 0.924 59.135 58.200 0.017 0.000 0.988 421 S CB -0.239 62.989 63.200 0.046 0.000 0.838 421 S HN 0.378 nan 8.310 nan 0.000 0.462 422 R N 1.018 121.484 120.500 -0.057 0.000 2.073 422 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 422 R C 2.063 178.258 176.300 -0.175 0.000 1.134 422 R CA 1.502 57.547 56.100 -0.091 0.000 0.952 422 R CB -0.523 29.737 30.300 -0.067 0.000 0.850 422 R HN 0.287 nan 8.270 nan 0.000 0.433 423 V N 1.127 120.929 119.914 -0.187 0.000 2.407 423 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 423 V C 2.547 178.387 176.094 -0.423 0.000 1.055 423 V CA 1.814 63.942 62.300 -0.286 0.000 1.049 423 V CB -0.739 30.925 31.823 -0.265 0.000 0.662 423 V HN 0.510 nan 8.190 nan 0.000 0.455 424 A N 0.022 122.631 122.820 -0.352 0.000 1.902 424 A HA -0.294 4.026 4.320 -0.000 0.000 0.217 424 A C 2.284 179.484 177.584 -0.639 0.000 1.181 424 A CA 2.115 53.905 52.037 -0.411 0.000 0.623 424 A CB -0.518 18.462 19.000 -0.034 0.000 0.818 424 A HN 0.668 nan 8.150 nan 0.000 0.443 425 E N -0.615 119.170 120.200 -0.693 0.000 2.051 425 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 425 E C 2.041 178.233 176.600 -0.680 0.000 0.991 425 E CA 1.524 57.278 56.400 -1.075 0.000 0.799 425 E CB -0.279 29.093 29.700 -0.546 0.000 0.748 425 E HN 0.624 nan 8.360 nan 0.000 0.449 426 M N 0.446 119.761 119.600 -0.475 0.000 2.080 426 M HA -0.194 4.286 4.480 -0.000 0.000 0.260 426 M C 1.822 177.852 176.300 -0.450 0.000 1.068 426 M CA 1.591 56.664 55.300 -0.377 0.000 1.109 426 M CB -0.082 32.332 32.600 -0.310 0.000 1.342 426 M HN 0.218 nan 8.290 nan 0.000 0.405 427 I N 0.167 120.368 120.570 -0.616 0.000 2.163 427 I HA -0.238 3.932 4.170 -0.000 0.000 0.240 427 I C 2.179 177.860 176.117 -0.726 0.000 1.081 427 I CA 1.688 62.569 61.300 -0.697 0.000 1.353 427 I CB -1.652 35.736 38.000 -1.019 0.000 1.054 427 I HN 0.269 nan 8.210 nan 0.000 0.407 428 F N 1.002 120.588 119.950 -0.606 0.000 2.502 428 F HA -0.038 4.489 4.527 -0.000 0.000 0.298 428 F C 2.436 177.789 175.800 -0.745 0.000 1.111 428 F CA 0.714 58.229 58.000 -0.807 0.000 1.445 428 F CB -1.432 37.278 39.000 -0.483 0.000 1.081 428 F HN -0.002 nan 8.300 nan 0.000 0.558 429 T N -1.042 113.279 114.554 -0.388 0.000 3.100 429 T HA 0.211 4.561 4.350 -0.000 0.000 0.253 429 T C 1.706 176.297 174.700 -0.181 0.000 1.118 429 T CA 0.820 62.790 62.100 -0.216 0.000 1.058 429 T CB -0.479 68.282 68.868 -0.178 0.000 0.953 429 T HN 0.434 nan 8.240 nan 0.000 0.515 430 G N 2.121 110.764 108.800 -0.262 0.000 2.176 430 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.252 430 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.252 430 G C 0.403 175.253 174.900 -0.083 0.000 1.024 430 G CA 0.171 45.214 45.100 -0.095 0.000 0.755 430 G HN 0.512 nan 8.290 nan 0.000 0.507 431 N N -0.713 117.899 118.700 -0.146 0.000 2.320 431 N HA 0.375 5.115 4.740 -0.000 0.000 0.237 431 N C 0.559 175.995 175.510 -0.123 0.000 1.129 431 N CA -0.054 52.928 53.050 -0.114 0.000 0.854 431 N CB 0.637 39.051 38.487 -0.122 0.000 1.083 431 N HN 0.274 nan 8.380 nan 0.000 0.504 432 V N 0.975 120.803 119.914 -0.142 0.000 2.649 432 V HA 0.177 4.297 4.120 -0.000 0.000 0.292 432 V C 0.130 176.181 176.094 -0.072 0.000 1.055 432 V CA -0.330 61.884 62.300 -0.144 0.000 1.023 432 V CB 1.302 33.004 31.823 -0.202 0.000 0.992 432 V HN 0.313 nan 8.190 nan 0.000 0.480 433 N N 4.175 122.852 118.700 -0.039 0.000 2.904 433 N HA 0.298 5.038 4.740 -0.000 0.000 0.257 433 N C -0.756 174.772 175.510 0.031 0.000 1.363 433 N CA -0.310 52.742 53.050 0.003 0.000 0.856 433 N CB 0.662 39.155 38.487 0.009 0.000 1.166 433 N HN 0.607 nan 8.380 nan 0.000 0.499 434 N N 0.243 118.964 118.700 0.035 0.000 2.463 434 N HA 0.214 4.954 4.740 -0.000 0.000 0.270 434 N C 1.307 176.858 175.510 0.068 0.000 1.205 434 N CA -0.313 52.775 53.050 0.063 0.000 0.974 434 N CB 1.035 39.566 38.487 0.073 0.000 1.197 434 N HN 0.279 nan 8.380 nan 0.000 0.504 435 A N 0.925 123.788 122.820 0.071 0.000 1.958 435 A HA -0.152 4.168 4.320 -0.000 0.000 0.221 435 A C 1.865 179.491 177.584 0.070 0.000 1.178 435 A CA 2.239 54.314 52.037 0.064 0.000 0.642 435 A CB -1.213 17.824 19.000 0.062 0.000 0.816 435 A HN 0.734 nan 8.150 nan 0.000 0.453 436 G N -1.218 107.636 108.800 0.090 0.000 2.776 436 G HA2 0.007 3.967 3.960 -0.000 0.000 0.209 436 G HA3 0.007 3.967 3.960 -0.000 0.000 0.209 436 G C 0.609 175.569 174.900 0.100 0.000 1.145 436 G CA 0.772 45.933 45.100 0.102 0.000 0.791 436 G HN 0.818 nan 8.290 nan 0.000 0.530 437 N N -0.574 118.178 118.700 0.087 0.000 2.671 437 N HA -0.098 4.642 4.740 -0.000 0.000 0.261 437 N C 0.681 176.252 175.510 0.101 0.000 1.053 437 N CA 0.747 53.844 53.050 0.077 0.000 0.732 437 N CB -1.174 37.350 38.487 0.061 0.000 0.887 437 N HN 0.443 nan 8.380 nan 0.000 0.546 438 G N 1.182 110.060 108.800 0.131 0.000 2.569 438 G HA2 0.332 4.292 3.960 -0.000 0.000 0.249 438 G HA3 0.332 4.292 3.960 -0.000 0.000 0.249 438 G C 0.221 175.231 174.900 0.183 0.000 1.216 438 G CA -0.534 44.688 45.100 0.203 0.000 0.845 438 G HN 0.325 nan 8.290 nan 0.000 0.568 439 K N -0.097 120.443 120.400 0.232 0.000 2.149 439 K HA 0.251 4.571 4.320 -0.000 0.000 0.245 439 K C 1.132 177.879 176.600 0.245 0.000 1.024 439 K CA -0.045 56.352 56.287 0.183 0.000 0.899 439 K CB 0.871 33.446 32.500 0.126 0.000 1.038 439 K HN 0.478 nan 8.250 nan 0.000 0.496 440 G N 0.485 109.399 108.800 0.189 0.000 3.523 440 G HA2 0.014 3.974 3.960 -0.000 0.000 0.270 440 G HA3 0.014 3.974 3.960 -0.000 0.000 0.270 440 G C 0.380 175.465 174.900 0.308 0.000 1.134 440 G CA -0.186 45.037 45.100 0.206 0.000 0.825 440 G HN 0.342 nan 8.290 nan 0.000 0.534 441 R N 0.723 121.401 120.500 0.298 0.000 2.441 441 R HA 0.576 4.916 4.340 -0.000 0.000 0.284 441 R C 0.511 176.957 176.300 0.243 0.000 1.070 441 R CA -0.330 55.911 56.100 0.235 0.000 1.047 441 R CB 0.699 31.059 30.300 0.099 0.000 1.016 441 R HN 0.113 nan 8.270 nan 0.000 0.477 442 A N 2.536 125.405 122.820 0.082 0.000 2.366 442 A HA 0.249 4.569 4.320 -0.000 0.000 0.249 442 A C -0.442 177.003 177.584 -0.232 0.000 1.084 442 A CA -0.004 51.799 52.037 -0.389 0.000 0.794 442 A CB 0.647 19.336 19.000 -0.519 0.000 1.034 442 A HN 0.727 nan 8.150 nan 0.000 0.491 443 T N 1.066 115.454 114.554 -0.277 0.000 2.770 443 T HA 0.535 4.885 4.350 -0.000 0.000 0.283 443 T C -0.803 173.802 174.700 -0.158 0.000 0.988 443 T CA -0.235 61.758 62.100 -0.178 0.000 0.957 443 T CB 0.960 69.753 68.868 -0.125 0.000 0.930 443 T HN 0.477 nan 8.240 nan 0.000 0.443 444 V N 4.032 123.865 119.914 -0.135 0.000 2.525 444 V HA 0.639 4.759 4.120 -0.000 0.000 0.299 444 V C -0.512 175.505 176.094 -0.129 0.000 1.034 444 V CA -0.752 61.475 62.300 -0.122 0.000 0.863 444 V CB 1.833 33.583 31.823 -0.122 0.000 0.999 444 V HN 0.648 nan 8.190 nan 0.000 0.423 445 V N 7.205 127.044 119.914 -0.125 0.000 2.789 445 V HA 0.821 4.941 4.120 -0.000 0.000 0.311 445 V C -0.592 175.393 176.094 -0.180 0.000 1.073 445 V CA -0.417 61.805 62.300 -0.129 0.000 0.921 445 V CB 2.005 33.778 31.823 -0.083 0.000 1.009 445 V HN 0.951 nan 8.190 nan 0.000 0.426 446 M N 4.304 123.775 119.600 -0.214 0.000 2.578 446 M HA 0.603 5.083 4.480 -0.000 0.000 0.276 446 M C -1.710 174.508 176.300 -0.137 0.000 1.245 446 M CA -0.774 54.357 55.300 -0.283 0.000 0.871 446 M CB 2.199 34.294 32.600 -0.842 0.000 1.722 446 M HN 0.600 nan 8.290 nan 0.000 0.473 447 Q N 1.090 120.878 119.800 -0.020 0.000 2.325 447 Q HA 0.750 5.090 4.340 -0.000 0.000 0.270 447 Q C -0.651 175.256 176.000 -0.156 0.000 1.020 447 Q CA 0.194 56.000 55.803 0.004 0.000 0.785 447 Q CB 1.995 30.825 28.738 0.153 0.000 1.259 447 Q HN 1.163 nan 8.270 nan 0.000 0.452 448 G N 2.800 111.364 108.800 -0.395 0.000 2.339 448 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.275 448 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.275 448 G C -1.795 172.767 174.900 -0.562 0.000 1.323 448 G CA -0.624 43.731 45.100 -1.242 0.000 0.927 448 G HN 0.686 nan 8.290 nan 0.000 0.486 449 D N -0.557 119.565 120.400 -0.463 0.000 2.312 449 D HA 0.505 5.145 4.640 -0.000 0.000 0.252 449 D C 1.516 177.876 176.300 0.099 0.000 1.150 449 D CA -0.376 53.603 54.000 -0.035 0.000 0.870 449 D CB 1.468 42.330 40.800 0.103 0.000 1.153 449 D HN 0.565 nan 8.370 nan 0.000 0.457 450 R N 3.347 123.909 120.500 0.104 0.000 2.096 450 R HA -0.083 4.257 4.340 -0.000 0.000 0.240 450 R C 2.067 178.489 176.300 0.203 0.000 1.139 450 R CA 2.258 58.464 56.100 0.177 0.000 0.952 450 R CB -1.051 29.296 30.300 0.078 0.000 0.854 450 R HN 0.623 nan 8.270 nan 0.000 0.436 451 G N -0.740 108.128 108.800 0.112 0.000 2.476 451 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 451 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 451 G C 1.499 176.440 174.900 0.070 0.000 1.164 451 G CA 1.151 46.300 45.100 0.081 0.000 0.768 451 G HN 0.436 nan 8.290 nan 0.000 0.560 452 S N 0.423 116.142 115.700 0.033 0.000 2.444 452 S HA -0.124 4.346 4.470 -0.000 0.000 0.244 452 S C 1.716 176.180 174.600 -0.227 0.000 1.025 452 S CA 1.143 59.282 58.200 -0.103 0.000 0.995 452 S CB -0.334 62.814 63.200 -0.087 0.000 0.781 452 S HN 0.393 nan 8.310 nan 0.000 0.496 453 F N 0.946 120.935 119.950 0.065 0.000 2.754 453 F HA 0.321 4.848 4.527 -0.000 0.000 0.297 453 F C 1.774 177.589 175.800 0.025 0.000 1.122 453 F CA 0.348 58.376 58.000 0.046 0.000 1.400 453 F CB -0.475 38.550 39.000 0.041 0.000 1.117 453 F HN 0.315 nan 8.300 nan 0.000 0.587 454 G N 0.276 109.170 108.800 0.157 0.000 2.698 454 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.233 454 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.233 454 G C -0.532 174.428 174.900 0.099 0.000 1.352 454 G CA -0.296 44.863 45.100 0.098 0.000 0.879 454 G HN 0.176 nan 8.290 nan 0.000 0.567 455 D N 0.688 121.131 120.400 0.072 0.000 2.498 455 D HA 0.311 4.951 4.640 -0.000 0.000 0.229 455 D C 2.022 178.365 176.300 0.073 0.000 1.188 455 D CA 0.436 54.474 54.000 0.064 0.000 1.028 455 D CB 0.416 41.247 40.800 0.051 0.000 1.087 455 D HN 0.325 nan 8.370 nan 0.000 0.510 456 V N 3.476 123.434 119.914 0.075 0.000 2.252 456 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 456 V C 2.417 178.552 176.094 0.068 0.000 1.056 456 V CA 2.160 64.501 62.300 0.068 0.000 1.022 456 V CB -0.519 31.325 31.823 0.034 0.000 0.641 456 V HN 0.578 nan 8.190 nan 0.000 0.445 457 E N 0.212 120.448 120.200 0.059 0.000 2.110 457 E HA -0.289 4.061 4.350 -0.000 0.000 0.193 457 E C 2.058 178.712 176.600 0.089 0.000 0.988 457 E CA 1.609 58.052 56.400 0.072 0.000 0.804 457 E CB -0.180 29.553 29.700 0.057 0.000 0.745 457 E HN 0.626 nan 8.360 nan 0.000 0.458 458 N N -0.199 118.548 118.700 0.078 0.000 2.084 458 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 458 N C 1.708 177.282 175.510 0.107 0.000 1.030 458 N CA 1.556 54.653 53.050 0.078 0.000 0.849 458 N CB -0.125 38.398 38.487 0.060 0.000 1.012 458 N HN 0.046 nan 8.380 nan 0.000 0.423 459 V N 0.927 120.914 119.914 0.122 0.000 2.392 459 V HA -0.204 3.916 4.120 -0.000 0.000 0.249 459 V C 2.308 178.554 176.094 0.253 0.000 1.059 459 V CA 1.292 63.700 62.300 0.181 0.000 1.051 459 V CB -0.565 31.345 31.823 0.144 0.000 0.658 459 V HN 0.324 nan 8.190 nan 0.000 0.455 460 L N -0.624 120.714 121.223 0.192 0.000 2.027 460 L HA -0.169 4.171 4.340 -0.000 0.000 0.206 460 L C 2.625 179.645 176.870 0.249 0.000 1.074 460 L CA 1.686 56.663 54.840 0.229 0.000 0.745 460 L CB -0.593 41.598 42.059 0.221 0.000 0.898 460 L HN 0.258 nan 8.230 nan 0.000 0.433 461 K N 0.119 120.630 120.400 0.185 0.000 2.057 461 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 461 K C 2.221 178.898 176.600 0.129 0.000 1.049 461 K CA 1.284 57.661 56.287 0.151 0.000 0.931 461 K CB -0.299 32.265 32.500 0.108 0.000 0.714 461 K HN 0.267 nan 8.250 nan 0.000 0.440 462 A N 0.562 123.447 122.820 0.109 0.000 1.986 462 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 462 A C 1.388 178.911 177.584 -0.101 0.000 1.171 462 A CA 1.404 53.434 52.037 -0.011 0.000 0.640 462 A CB -0.586 18.387 19.000 -0.045 0.000 0.811 462 A HN 0.345 nan 8.150 nan 0.000 0.451 463 Y N -0.977 119.335 120.300 0.020 0.000 2.468 463 Y HA 0.363 4.913 4.550 -0.000 0.000 0.268 463 Y C 1.761 177.770 175.900 0.181 0.000 1.177 463 Y CA 0.174 58.287 58.100 0.021 0.000 1.265 463 Y CB 0.008 38.471 38.460 0.006 0.000 1.103 463 Y HN 0.437 nan 8.280 nan 0.000 0.522 464 G N 0.617 109.569 108.800 0.253 0.000 2.155 464 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.257 464 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.257 464 G C 0.039 175.091 174.900 0.252 0.000 0.983 464 G CA 0.113 45.354 45.100 0.234 0.000 0.676 464 G HN 0.278 nan 8.290 nan 0.000 0.528 465 L N 0.071 121.454 121.223 0.267 0.000 2.395 465 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 465 L C 1.378 178.357 176.870 0.182 0.000 1.133 465 L CA 0.400 55.357 54.840 0.195 0.000 0.812 465 L CB 0.980 43.197 42.059 0.264 0.000 1.125 465 L HN 1.106 nan 8.230 nan 0.000 0.452 466 G N 2.232 111.042 108.800 0.016 0.000 2.698 466 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.225 466 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.225 466 G C -1.198 173.774 174.900 0.119 0.000 1.345 466 G CA -0.289 44.935 45.100 0.206 0.000 0.871 466 G HN 0.865 nan 8.290 nan 0.000 0.540 467 N N -1.124 117.666 118.700 0.151 0.000 2.396 467 N HA 0.668 5.408 4.740 -0.000 0.000 0.275 467 N C -0.041 175.530 175.510 0.101 0.000 1.218 467 N CA 1.118 54.227 53.050 0.099 0.000 0.812 467 N CB 1.896 40.425 38.487 0.071 0.000 1.592 467 N HN 1.892 nan 8.380 nan 0.000 0.480 468 S N 0.000 115.746 115.700 0.076 0.000 2.498 468 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 468 S CA 0.000 58.239 58.200 0.065 0.000 1.107 468 S CB 0.000 63.237 63.200 0.062 0.000 0.593 468 S HN 0.000 nan 8.310 nan 0.000 0.517