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 2x0b_1_D DATA FIRST_RESID 3 DATA SEQUENCE VYIHPFHLVI HNESTcXXXX XXXXXXXXDP TFIPAPIQAK TSPVNEKALQ DATA SEQUENCE DQLVLVAAKL DTEDKLRAAM VGMLANFLGF RIYGMHSELW GVVHGATVLS DATA SEQUENCE PTAVFGTLAS LYLGALDHTA DRLQAILGVP WKDKNcTSRL DAHKVLSALQ DATA SEQUENCE AVQGLLVAQG RADSQAQLLL STVVGVFTAP GLHLKQPFVQ GLALYTPVVL DATA SEQUENCE PRSLDFTELD VAAEKIDRFM QAVTGWKTGC SLMGASVDST LAFNTYVHFQ DATA SEQUENCE GKMKGFSLLA EPQEFWVDNS TSVSVPMLSG MGTFQHWSDI QDNFSVTQVP DATA SEQUENCE FTESACLLLI QPHYASDLDK VEGLTFQQNS LNWMKKLSPR TIHLTMPQLV DATA SEQUENCE LQGSYDLQDL LAQAELPAIL HTELNLQKLS NDRIRVGEVL NSIFFELEAD DATA SEQUENCE EXXXXXXXXX XXXPEVLEVT LNRPFLFAVY DQSATALHFL GRVANPL 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 175.684 176.094 -0.684 0.000 1.182 3 V CA 0.000 62.099 62.300 -0.335 0.000 1.235 3 V CB 0.000 31.401 31.823 -0.703 0.000 1.184 4 Y N 4.223 124.608 120.300 0.142 0.000 2.607 4 Y HA 0.495 5.045 4.550 -0.000 0.000 0.315 4 Y C -0.056 175.980 175.900 0.226 0.000 0.913 4 Y CA -0.346 57.873 58.100 0.197 0.000 0.892 4 Y CB -0.735 37.837 38.460 0.187 0.000 1.403 4 Y HN 0.452 nan 8.280 nan 0.000 0.563 5 I N 1.814 122.743 120.570 0.599 0.000 3.210 5 I HA 0.546 4.716 4.170 -0.000 0.000 0.316 5 I C -0.633 175.686 176.117 0.338 0.000 1.067 5 I CA -0.644 60.878 61.300 0.370 0.000 1.047 5 I CB 0.925 39.086 38.000 0.269 0.000 1.352 5 I HN 0.240 nan 8.210 nan 0.000 0.565 6 H N 2.191 121.371 119.070 0.184 0.000 3.224 6 H HA 0.426 4.982 4.556 -0.000 0.000 0.331 6 H C -2.658 172.739 175.328 0.115 0.000 1.002 6 H CA -1.463 54.653 56.048 0.113 0.000 1.473 6 H CB 1.177 31.001 29.762 0.103 0.000 1.830 6 H HN 0.304 nan 8.280 nan 0.000 0.485 7 P HA 0.221 nan 4.420 nan 0.000 0.282 7 P C -1.041 176.134 177.300 -0.209 0.000 1.249 7 P CA -0.361 62.667 63.100 -0.119 0.000 0.806 7 P CB 1.055 32.680 31.700 -0.125 0.000 0.984 8 F N 1.196 121.147 119.950 0.001 0.000 2.404 8 F HA 0.224 4.751 4.527 -0.000 0.000 0.354 8 F C 1.050 176.878 175.800 0.045 0.000 1.122 8 F CA -0.239 57.792 58.000 0.052 0.000 1.080 8 F CB 0.826 39.856 39.000 0.049 0.000 1.131 8 F HN 0.368 nan 8.300 nan 0.000 0.471 9 H N 6.175 125.287 119.070 0.071 0.000 2.691 9 H HA 0.330 4.886 4.556 -0.000 0.000 0.281 9 H C -0.643 174.736 175.328 0.086 0.000 1.121 9 H CA -0.233 55.845 56.048 0.050 0.000 1.254 9 H CB 0.717 30.471 29.762 -0.014 0.000 1.390 9 H HN 0.591 nan 8.280 nan 0.000 0.491 10 L N 6.331 127.534 121.223 -0.032 0.000 2.719 10 L HA 0.194 4.534 4.340 -0.000 0.000 0.236 10 L C -0.339 176.528 176.870 -0.005 0.000 1.285 10 L CA -0.352 54.510 54.840 0.037 0.000 1.222 10 L CB 0.426 42.507 42.059 0.036 0.000 1.493 10 L HN 0.261 nan 8.230 nan 0.000 0.415 11 V N 1.918 121.879 119.914 0.078 0.000 2.293 11 V HA 0.246 4.366 4.120 -0.000 0.000 0.275 11 V C 0.459 176.688 176.094 0.225 0.000 1.021 11 V CA -0.540 61.830 62.300 0.116 0.000 0.815 11 V CB 2.116 34.048 31.823 0.182 0.000 1.025 11 V HN 0.373 nan 8.190 nan 0.000 0.448 12 I N 6.699 127.359 120.570 0.149 0.000 2.752 12 I HA 0.222 4.392 4.170 -0.000 0.000 0.287 12 I C 0.182 176.412 176.117 0.189 0.000 1.188 12 I CA 0.537 61.917 61.300 0.134 0.000 1.427 12 I CB 0.107 38.134 38.000 0.044 0.000 1.365 12 I HN 0.825 nan 8.210 nan 0.000 0.585 13 H N 5.096 124.192 119.070 0.042 0.000 2.985 13 H HA 0.315 4.871 4.556 -0.000 0.000 0.360 13 H C -1.365 173.979 175.328 0.027 0.000 1.221 13 H CA -1.152 54.917 56.048 0.035 0.000 1.121 13 H CB 0.403 30.188 29.762 0.038 0.000 1.854 13 H HN 0.543 nan 8.280 nan 0.000 0.551 14 N N 1.986 120.723 118.700 0.062 0.000 2.400 14 N HA -0.009 4.731 4.740 -0.000 0.000 0.267 14 N C -0.598 174.916 175.510 0.006 0.000 1.208 14 N CA -0.093 52.957 53.050 -0.001 0.000 0.951 14 N CB 0.799 39.306 38.487 0.035 0.000 1.227 14 N HN 0.454 nan 8.380 nan 0.000 0.488 15 E N 1.297 121.431 120.200 -0.110 0.000 3.593 15 E HA -0.200 4.150 4.350 -0.000 0.000 0.311 15 E C -0.205 176.433 176.600 0.063 0.000 0.834 15 E CA 0.621 56.987 56.400 -0.055 0.000 1.014 15 E CB 0.264 29.937 29.700 -0.046 0.000 1.006 15 E HN 0.570 nan 8.360 nan 0.000 0.521 16 S N 0.902 116.670 115.700 0.113 0.000 2.973 16 S HA 0.780 5.250 4.470 -0.000 0.000 0.317 16 S C -0.440 174.212 174.600 0.086 0.000 1.196 16 S CA -0.398 57.863 58.200 0.102 0.000 0.894 16 S CB 2.074 65.347 63.200 0.122 0.000 1.292 16 S HN 0.797 nan 8.310 nan 0.000 0.614 17 T N -2.545 112.051 114.554 0.069 0.000 2.654 17 T HA 0.324 4.674 4.350 -0.000 0.000 0.243 17 T C -0.021 174.710 174.700 0.052 0.000 2.213 17 T CA -0.486 61.652 62.100 0.063 0.000 0.955 17 T CB -1.072 67.833 68.868 0.061 0.000 2.347 17 T HN 1.329 nan 8.240 nan 0.000 0.371 32 P HA 0.278 nan 4.420 nan 0.000 0.283 32 P C -0.200 177.205 177.300 0.175 0.000 1.412 32 P CA -0.316 62.850 63.100 0.110 0.000 0.912 32 P CB 0.554 32.316 31.700 0.103 0.000 1.132 33 T N 0.685 115.329 114.554 0.149 0.000 2.788 33 T HA 0.644 4.994 4.350 -0.000 0.000 0.287 33 T C -0.051 174.822 174.700 0.288 0.000 1.007 33 T CA -0.495 61.701 62.100 0.159 0.000 1.005 33 T CB 0.493 69.417 68.868 0.093 0.000 1.012 33 T HN 0.367 nan 8.240 nan 0.000 0.530 34 F N -1.234 118.776 119.950 0.101 0.000 2.615 34 F HA 0.668 5.194 4.527 -0.000 0.000 0.312 34 F C -1.400 174.388 175.800 -0.021 0.000 1.119 34 F CA -1.730 56.306 58.000 0.059 0.000 0.979 34 F CB 0.877 39.899 39.000 0.036 0.000 1.266 34 F HN 0.538 nan 8.300 nan 0.000 0.444 35 I N 5.063 125.621 120.570 -0.020 0.000 2.371 35 I HA 0.299 4.469 4.170 -0.000 0.000 0.290 35 I C -1.876 174.285 176.117 0.074 0.000 1.028 35 I CA -1.770 59.428 61.300 -0.171 0.000 1.345 35 I CB 1.372 39.190 38.000 -0.303 0.000 1.407 35 I HN 0.474 nan 8.210 nan 0.000 0.501 36 P HA 0.252 nan 4.420 nan 0.000 0.277 36 P C -0.600 176.724 177.300 0.040 0.000 1.240 36 P CA -0.424 62.751 63.100 0.126 0.000 0.798 36 P CB 1.073 32.820 31.700 0.078 0.000 0.979 37 A N 4.141 126.983 122.820 0.037 0.000 2.327 37 A HA 0.479 4.799 4.320 -0.000 0.000 0.255 37 A C -2.027 175.541 177.584 -0.026 0.000 1.099 37 A CA -1.220 50.819 52.037 0.003 0.000 0.801 37 A CB -1.266 17.737 19.000 0.006 0.000 1.062 37 A HN 0.475 nan 8.150 nan 0.000 0.496 38 P HA 0.152 nan 4.420 nan 0.000 0.274 38 P C 0.791 178.035 177.300 -0.094 0.000 1.237 38 P CA -0.170 62.893 63.100 -0.062 0.000 0.793 38 P CB 0.424 32.096 31.700 -0.047 0.000 0.977 39 I N -1.144 119.327 120.570 -0.166 0.000 2.830 39 I HA -0.154 4.016 4.170 -0.000 0.000 0.263 39 I C 2.138 178.234 176.117 -0.035 0.000 1.230 39 I CA 0.881 62.028 61.300 -0.256 0.000 1.480 39 I CB -0.735 36.960 38.000 -0.508 0.000 1.095 39 I HN 0.312 nan 8.210 nan 0.000 0.455 40 Q N 2.315 122.096 119.800 -0.032 0.000 2.234 40 Q HA -0.058 4.281 4.340 -0.000 0.000 0.206 40 Q C 1.303 177.317 176.000 0.023 0.000 0.980 40 Q CA 0.973 56.777 55.803 0.002 0.000 0.869 40 Q CB -0.062 28.666 28.738 -0.017 0.000 0.912 40 Q HN 0.727 nan 8.270 nan 0.000 0.436 41 A N 1.487 124.320 122.820 0.021 0.000 2.540 41 A HA 0.021 4.341 4.320 -0.000 0.000 0.239 41 A C -0.508 177.113 177.584 0.062 0.000 1.061 41 A CA 0.149 52.204 52.037 0.031 0.000 0.758 41 A CB 0.162 19.176 19.000 0.024 0.000 0.991 41 A HN 0.283 nan 8.150 nan 0.000 0.502 42 K N 2.507 122.928 120.400 0.035 0.000 2.294 42 K HA 0.172 4.492 4.320 -0.000 0.000 0.288 42 K C -0.418 176.199 176.600 0.028 0.000 1.072 42 K CA 0.426 56.728 56.287 0.025 0.000 0.960 42 K CB 0.057 32.557 32.500 -0.000 0.000 1.043 42 K HN 0.661 nan 8.250 nan 0.000 0.455 43 T N 1.760 116.344 114.554 0.049 0.000 2.767 43 T HA 0.116 4.466 4.350 -0.000 0.000 0.284 43 T C 0.259 174.920 174.700 -0.066 0.000 0.973 43 T CA -0.806 61.308 62.100 0.024 0.000 0.996 43 T CB 1.121 70.060 68.868 0.118 0.000 0.927 43 T HN 0.574 nan 8.240 nan 0.000 0.456 44 S N 4.580 120.237 115.700 -0.071 0.000 2.572 44 S HA 0.363 4.833 4.470 -0.000 0.000 0.279 44 S C -2.122 172.387 174.600 -0.152 0.000 1.341 44 S CA -1.143 56.997 58.200 -0.100 0.000 1.043 44 S CB -0.081 63.072 63.200 -0.077 0.000 0.887 44 S HN 0.502 nan 8.310 nan 0.000 0.516 45 P HA 0.220 nan 4.420 nan 0.000 0.274 45 P C -0.646 176.530 177.300 -0.206 0.000 1.246 45 P CA -0.680 62.275 63.100 -0.241 0.000 0.795 45 P CB 0.362 31.914 31.700 -0.247 0.000 1.006 46 V N 2.638 122.403 119.914 -0.248 0.000 2.479 46 V HA 0.010 4.130 4.120 -0.000 0.000 0.281 46 V C 1.188 177.199 176.094 -0.137 0.000 1.031 46 V CA -0.140 62.053 62.300 -0.178 0.000 1.038 46 V CB -0.565 31.149 31.823 -0.181 0.000 0.981 46 V HN 0.572 nan 8.190 nan 0.000 0.478 47 N N 4.263 122.909 118.700 -0.090 0.000 2.421 47 N HA 0.009 4.749 4.740 -0.000 0.000 0.260 47 N C 1.087 176.577 175.510 -0.034 0.000 1.173 47 N CA 0.253 53.265 53.050 -0.064 0.000 0.960 47 N CB 0.698 39.154 38.487 -0.052 0.000 1.273 47 N HN 0.798 nan 8.380 nan 0.000 0.497 48 E N 3.198 123.386 120.200 -0.020 0.000 2.150 48 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 48 E C 1.045 177.652 176.600 0.012 0.000 0.985 48 E CA 1.105 57.522 56.400 0.027 0.000 0.814 48 E CB 0.357 30.099 29.700 0.071 0.000 0.752 48 E HN 0.528 nan 8.360 nan 0.000 0.466 49 K N 0.095 120.492 120.400 -0.005 0.000 2.002 49 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 49 K C 2.220 178.814 176.600 -0.011 0.000 1.048 49 K CA 1.136 57.417 56.287 -0.010 0.000 0.930 49 K CB -0.205 32.286 32.500 -0.016 0.000 0.714 49 K HN 0.093 nan 8.250 nan 0.000 0.438 50 A N 1.566 124.377 122.820 -0.015 0.000 1.978 50 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 50 A C 2.090 179.668 177.584 -0.011 0.000 1.170 50 A CA 1.272 53.300 52.037 -0.015 0.000 0.636 50 A CB -0.500 18.487 19.000 -0.022 0.000 0.810 50 A HN 0.247 nan 8.150 nan 0.000 0.448 51 L N 0.483 121.703 121.223 -0.005 0.000 1.988 51 L HA -0.208 4.132 4.340 -0.000 0.000 0.207 51 L C 2.766 179.638 176.870 0.003 0.000 1.071 51 L CA 2.804 57.645 54.840 0.002 0.000 0.744 51 L CB -1.063 41.008 42.059 0.019 0.000 0.893 51 L HN 0.686 nan 8.230 nan 0.000 0.433 52 Q N -1.737 118.064 119.800 0.002 0.000 2.167 52 Q HA -0.202 4.137 4.340 -0.000 0.000 0.202 52 Q C 1.458 177.453 176.000 -0.007 0.000 0.970 52 Q CA 1.726 57.526 55.803 -0.005 0.000 0.855 52 Q CB -0.637 28.090 28.738 -0.018 0.000 0.911 52 Q HN 0.461 nan 8.270 nan 0.000 0.438 53 D N 0.474 120.869 120.400 -0.008 0.000 2.219 53 D HA -0.141 4.499 4.640 -0.000 0.000 0.205 53 D C 1.895 178.193 176.300 -0.003 0.000 0.970 53 D CA 0.859 54.855 54.000 -0.007 0.000 0.851 53 D CB -0.024 40.771 40.800 -0.008 0.000 0.943 53 D HN 0.341 nan 8.370 nan 0.000 0.488 54 Q N 0.166 119.964 119.800 -0.003 0.000 2.212 54 Q HA 0.035 4.375 4.340 -0.000 0.000 0.199 54 Q C 2.367 178.370 176.000 0.004 0.000 0.950 54 Q CA 0.238 56.041 55.803 -0.001 0.000 0.863 54 Q CB 0.132 28.868 28.738 -0.003 0.000 0.944 54 Q HN 0.334 nan 8.270 nan 0.000 0.465 55 L N 0.440 121.666 121.223 0.005 0.000 2.141 55 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 55 L C 2.478 179.356 176.870 0.013 0.000 1.094 55 L CA 1.015 55.861 54.840 0.011 0.000 0.763 55 L CB -0.529 41.537 42.059 0.012 0.000 0.908 55 L HN 0.103 nan 8.230 nan 0.000 0.437 56 V N -2.831 117.087 119.914 0.006 0.000 2.548 56 V HA -0.200 3.920 4.120 -0.000 0.000 0.249 56 V C 2.260 178.360 176.094 0.010 0.000 1.055 56 V CA 1.124 63.428 62.300 0.007 0.000 1.065 56 V CB -0.644 31.179 31.823 0.001 0.000 0.681 56 V HN 0.349 nan 8.190 nan 0.000 0.462 57 L N 0.578 121.806 121.223 0.009 0.000 2.056 57 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 57 L C 2.570 179.449 176.870 0.014 0.000 1.078 57 L CA 2.211 57.057 54.840 0.010 0.000 0.749 57 L CB -0.617 41.446 42.059 0.007 0.000 0.901 57 L HN 0.325 nan 8.230 nan 0.000 0.433 58 V N 0.757 120.680 119.914 0.016 0.000 2.407 58 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 58 V C 2.995 179.105 176.094 0.027 0.000 1.055 58 V CA 1.539 63.852 62.300 0.022 0.000 1.049 58 V CB -1.159 30.679 31.823 0.025 0.000 0.662 58 V HN 0.574 nan 8.190 nan 0.000 0.455 59 A N -0.243 122.593 122.820 0.026 0.000 1.930 59 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 59 A C 2.387 179.986 177.584 0.024 0.000 1.175 59 A CA 1.852 53.905 52.037 0.028 0.000 0.627 59 A CB -0.616 18.401 19.000 0.027 0.000 0.815 59 A HN 0.537 nan 8.150 nan 0.000 0.443 60 A N 0.175 123.007 122.820 0.020 0.000 1.832 60 A HA -0.035 4.285 4.320 -0.000 0.000 0.214 60 A C 1.353 178.948 177.584 0.019 0.000 1.200 60 A CA 1.076 53.123 52.037 0.018 0.000 0.610 60 A CB -0.359 18.649 19.000 0.014 0.000 0.842 60 A HN 0.398 nan 8.150 nan 0.000 0.444 61 K N 0.098 120.509 120.400 0.018 0.000 2.083 61 K HA 0.344 4.664 4.320 -0.000 0.000 0.246 61 K C -1.491 175.123 176.600 0.023 0.000 1.160 61 K CA 0.064 56.362 56.287 0.019 0.000 1.060 61 K CB -0.331 32.179 32.500 0.016 0.000 1.417 61 K HN 0.257 nan 8.250 nan 0.000 0.329 62 L N 1.781 123.019 121.223 0.025 0.000 2.543 62 L HA 0.250 4.590 4.340 -0.000 0.000 0.265 62 L C -0.983 175.904 176.870 0.030 0.000 0.945 62 L CA -0.560 54.298 54.840 0.030 0.000 0.869 62 L CB 1.688 43.766 42.059 0.033 0.000 1.294 62 L HN 0.289 nan 8.230 nan 0.000 0.405 63 D N 1.447 121.867 120.400 0.033 0.000 2.361 63 D HA 0.142 4.782 4.640 -0.000 0.000 0.239 63 D C 1.040 177.360 176.300 0.034 0.000 1.200 63 D CA 0.701 54.721 54.000 0.033 0.000 0.915 63 D CB 1.260 42.082 40.800 0.037 0.000 1.170 63 D HN 0.774 nan 8.370 nan 0.000 0.444 64 T N -1.879 112.693 114.554 0.029 0.000 2.915 64 T HA -0.128 4.222 4.350 -0.000 0.000 0.269 64 T C 1.338 176.058 174.700 0.033 0.000 1.071 64 T CA 0.984 63.100 62.100 0.027 0.000 1.132 64 T CB -0.087 68.794 68.868 0.020 0.000 0.878 64 T HN 0.379 nan 8.240 nan 0.000 0.479 65 E N 1.206 121.429 120.200 0.040 0.000 2.107 65 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 65 E C 1.975 178.620 176.600 0.075 0.000 0.982 65 E CA 1.148 57.580 56.400 0.053 0.000 0.809 65 E CB -0.089 29.645 29.700 0.057 0.000 0.756 65 E HN 0.502 nan 8.360 nan 0.000 0.459 66 D N 0.922 121.365 120.400 0.072 0.000 2.178 66 D HA -0.116 4.524 4.640 -0.000 0.000 0.202 66 D C 1.616 177.962 176.300 0.076 0.000 0.974 66 D CA 0.954 55.003 54.000 0.082 0.000 0.841 66 D CB -0.032 40.806 40.800 0.064 0.000 0.953 66 D HN 0.104 nan 8.370 nan 0.000 0.478 67 K N 0.263 120.697 120.400 0.056 0.000 2.097 67 K HA -0.044 4.276 4.320 -0.000 0.000 0.206 67 K C 2.266 178.894 176.600 0.047 0.000 1.049 67 K CA 0.571 56.885 56.287 0.045 0.000 0.933 67 K CB -0.054 32.466 32.500 0.033 0.000 0.717 67 K HN 0.149 nan 8.250 nan 0.000 0.442 68 L N 0.337 121.590 121.223 0.050 0.000 2.093 68 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 68 L C 2.688 179.600 176.870 0.071 0.000 1.085 68 L CA 0.983 55.850 54.840 0.045 0.000 0.755 68 L CB -0.339 41.739 42.059 0.031 0.000 0.904 68 L HN 0.173 nan 8.230 nan 0.000 0.435 69 R N 0.389 120.967 120.500 0.130 0.000 2.075 69 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 69 R C 2.353 178.766 176.300 0.188 0.000 1.126 69 R CA 1.341 57.589 56.100 0.247 0.000 0.963 69 R CB -0.180 30.314 30.300 0.322 0.000 0.858 69 R HN 0.329 nan 8.270 nan 0.000 0.435 70 A N 0.685 123.570 122.820 0.108 0.000 1.933 70 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 70 A C 2.302 179.895 177.584 0.015 0.000 1.175 70 A CA 1.663 53.735 52.037 0.059 0.000 0.628 70 A CB -0.628 18.401 19.000 0.048 0.000 0.814 70 A HN 0.516 nan 8.150 nan 0.000 0.444 71 A N -0.698 122.131 122.820 0.016 0.000 1.898 71 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 71 A C 2.269 179.829 177.584 -0.040 0.000 1.181 71 A CA 1.841 53.869 52.037 -0.015 0.000 0.620 71 A CB -0.507 18.494 19.000 0.003 0.000 0.819 71 A HN 0.622 nan 8.150 nan 0.000 0.442 72 M N -0.689 118.908 119.600 -0.005 0.000 2.067 72 M HA -0.104 4.376 4.480 -0.000 0.000 0.260 72 M C 2.053 178.324 176.300 -0.047 0.000 1.069 72 M CA 2.155 57.436 55.300 -0.032 0.000 1.117 72 M CB -0.204 32.373 32.600 -0.038 0.000 1.334 72 M HN 0.212 nan 8.290 nan 0.000 0.407 73 V N 0.647 120.585 119.914 0.039 0.000 2.594 73 V HA -0.143 3.977 4.120 -0.000 0.000 0.253 73 V C 2.082 177.954 176.094 -0.370 0.000 1.069 73 V CA 2.236 64.472 62.300 -0.108 0.000 1.082 73 V CB -1.130 30.696 31.823 0.005 0.000 0.680 73 V HN 0.724 nan 8.190 nan 0.000 0.469 74 G N -0.593 108.056 108.800 -0.252 0.000 2.433 74 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 74 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 74 G C 1.526 176.188 174.900 -0.396 0.000 1.186 74 G CA 1.162 46.082 45.100 -0.301 0.000 0.779 74 G HN 0.392 nan 8.290 nan 0.000 0.543 75 M N 0.266 119.635 119.600 -0.384 0.000 2.159 75 M HA 0.079 4.559 4.480 -0.000 0.000 0.263 75 M C 2.540 178.334 176.300 -0.844 0.000 1.063 75 M CA 0.675 55.588 55.300 -0.646 0.000 1.110 75 M CB -0.889 31.401 32.600 -0.517 0.000 1.374 75 M HN 0.101 nan 8.290 nan 0.000 0.411 76 L N -0.204 120.716 121.223 -0.505 0.000 2.042 76 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 76 L C 2.647 179.214 176.870 -0.506 0.000 1.076 76 L CA 1.999 56.627 54.840 -0.353 0.000 0.749 76 L CB -1.757 40.107 42.059 -0.326 0.000 0.893 76 L HN 0.248 nan 8.230 nan 0.000 0.432 77 A N 0.035 122.358 122.820 -0.828 0.000 1.933 77 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 77 A C 2.047 179.369 177.584 -0.438 0.000 1.175 77 A CA 1.683 53.374 52.037 -0.577 0.000 0.628 77 A CB -0.479 18.188 19.000 -0.554 0.000 0.814 77 A HN 0.446 nan 8.150 nan 0.000 0.444 78 N N -0.159 118.197 118.700 -0.574 0.000 2.058 78 N HA -0.127 4.613 4.740 -0.000 0.000 0.191 78 N C 1.267 176.260 175.510 -0.862 0.000 1.037 78 N CA 1.637 54.224 53.050 -0.771 0.000 0.848 78 N CB -0.737 37.371 38.487 -0.632 0.000 1.021 78 N HN 0.452 nan 8.380 nan 0.000 0.422 79 F N 0.733 120.517 119.950 -0.277 0.000 2.216 79 F HA 0.003 4.530 4.527 -0.000 0.000 0.300 79 F C 2.119 177.899 175.800 -0.034 0.000 1.085 79 F CA 0.081 58.067 58.000 -0.023 0.000 1.326 79 F CB -1.043 37.998 39.000 0.068 0.000 1.027 79 F HN 0.011 nan 8.300 nan 0.000 0.497 80 L N 0.582 121.863 121.223 0.097 0.000 2.046 80 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 80 L C 2.453 179.348 176.870 0.042 0.000 1.077 80 L CA 2.096 57.003 54.840 0.112 0.000 0.747 80 L CB -1.472 40.702 42.059 0.191 0.000 0.896 80 L HN 0.127 nan 8.230 nan 0.000 0.432 81 G N -1.053 107.672 108.800 -0.126 0.000 2.418 81 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 81 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 81 G C 1.315 176.275 174.900 0.101 0.000 1.158 81 G CA 0.978 46.011 45.100 -0.112 0.000 0.771 81 G HN 0.415 nan 8.290 nan 0.000 0.545 82 F N 0.641 120.717 119.950 0.209 0.000 2.206 82 F HA 0.210 4.737 4.527 -0.000 0.000 0.298 82 F C 2.733 178.664 175.800 0.218 0.000 1.090 82 F CA 0.386 58.535 58.000 0.249 0.000 1.323 82 F CB -0.681 38.444 39.000 0.207 0.000 1.028 82 F HN -0.008 nan 8.300 nan 0.000 0.492 83 R N 0.450 121.139 120.500 0.315 0.000 2.091 83 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 83 R C 2.207 178.579 176.300 0.121 0.000 1.136 83 R CA 1.619 57.832 56.100 0.187 0.000 0.959 83 R CB -0.718 29.667 30.300 0.141 0.000 0.856 83 R HN 0.285 nan 8.270 nan 0.000 0.437 84 I N -0.471 120.172 120.570 0.123 0.000 2.614 84 I HA -0.259 3.911 4.170 -0.000 0.000 0.258 84 I C 1.668 177.781 176.117 -0.006 0.000 1.189 84 I CA 0.743 62.071 61.300 0.046 0.000 1.462 84 I CB -0.131 37.902 38.000 0.054 0.000 1.092 84 I HN 0.176 nan 8.210 nan 0.000 0.442 85 Y N 1.527 121.797 120.300 -0.051 0.000 2.632 85 Y HA -0.022 4.528 4.550 -0.000 0.000 0.301 85 Y C 2.208 177.953 175.900 -0.259 0.000 1.172 85 Y CA 0.457 58.441 58.100 -0.193 0.000 1.328 85 Y CB -0.477 37.930 38.460 -0.089 0.000 1.016 85 Y HN 0.093 nan 8.280 nan 0.000 0.529 86 G N -0.214 108.437 108.800 -0.248 0.000 2.586 86 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.215 86 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.215 86 G C 1.519 175.856 174.900 -0.939 0.000 1.128 86 G CA 0.505 45.272 45.100 -0.555 0.000 0.774 86 G HN 0.406 nan 8.290 nan 0.000 0.543 87 M N -0.415 118.792 119.600 -0.654 0.000 2.279 87 M HA -0.010 4.470 4.480 -0.000 0.000 0.264 87 M C 0.351 176.299 176.300 -0.587 0.000 1.062 87 M CA 0.721 55.696 55.300 -0.541 0.000 1.099 87 M CB -0.286 32.076 32.600 -0.397 0.000 1.394 87 M HN 0.380 nan 8.290 nan 0.000 0.426 88 H N 0.473 119.195 119.070 -0.580 0.000 2.969 88 H HA -0.094 4.462 4.556 -0.000 0.000 0.347 88 H C 0.776 175.756 175.328 -0.581 0.000 1.235 88 H CA 0.716 56.405 56.048 -0.598 0.000 1.179 88 H CB -2.170 27.409 29.762 -0.305 0.000 1.578 88 H HN 0.655 nan 8.280 nan 0.000 0.431 89 S N -1.636 113.578 115.700 -0.809 0.000 3.490 89 S HA -0.247 4.223 4.470 -0.000 0.000 0.301 89 S C 0.745 175.064 174.600 -0.468 0.000 1.233 89 S CA 1.843 59.648 58.200 -0.659 0.000 0.914 89 S CB -1.122 61.891 63.200 -0.311 0.000 1.047 89 S HN 0.603 nan 8.310 nan 0.000 0.602 90 E N 0.349 120.286 120.200 -0.440 0.000 2.481 90 E HA 0.477 4.827 4.350 -0.000 0.000 0.198 90 E C 1.674 178.102 176.600 -0.286 0.000 1.027 90 E CA 0.386 56.625 56.400 -0.269 0.000 0.900 90 E CB -0.062 29.525 29.700 -0.189 0.000 0.993 90 E HN 0.715 nan 8.360 nan 0.000 0.482 91 L N -0.368 120.566 121.223 -0.483 0.000 2.046 91 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 91 L C 1.601 178.345 176.870 -0.210 0.000 1.077 91 L CA 1.039 55.636 54.840 -0.405 0.000 0.747 91 L CB -0.336 41.377 42.059 -0.577 0.000 0.896 91 L HN 0.368 nan 8.230 nan 0.000 0.432 92 W N 0.247 121.486 121.300 -0.102 0.000 2.519 92 W HA 0.065 4.725 4.660 -0.000 0.000 0.266 92 W C 2.348 178.818 176.519 -0.083 0.000 1.253 92 W CA 0.701 57.998 57.345 -0.080 0.000 1.274 92 W CB -1.590 27.833 29.460 -0.063 0.000 1.114 92 W HN 0.185 nan 8.180 nan 0.000 0.596 93 G N 0.932 109.777 108.800 0.074 0.000 2.475 93 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 93 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 93 G C 0.777 175.659 174.900 -0.030 0.000 1.125 93 G CA 0.592 45.699 45.100 0.012 0.000 0.755 93 G HN 0.034 nan 8.290 nan 0.000 0.565 94 V N 2.106 122.004 119.914 -0.026 0.000 2.180 94 V HA 0.101 4.221 4.120 -0.000 0.000 0.238 94 V C 0.363 176.324 176.094 -0.222 0.000 1.337 94 V CA -0.315 61.948 62.300 -0.062 0.000 1.338 94 V CB 0.346 32.223 31.823 0.091 0.000 1.431 94 V HN 0.073 nan 8.190 nan 0.000 0.498 95 V N 5.497 125.173 119.914 -0.396 0.000 2.287 95 V HA 0.212 4.331 4.120 -0.000 0.000 0.246 95 V C 0.125 175.911 176.094 -0.513 0.000 1.165 95 V CA -0.048 62.072 62.300 -0.300 0.000 1.088 95 V CB -1.016 30.722 31.823 -0.142 0.000 1.242 95 V HN 0.764 nan 8.190 nan 0.000 0.497 96 H N 2.984 122.130 119.070 0.127 0.000 3.078 96 H HA 0.555 5.111 4.556 -0.000 0.000 0.319 96 H C 0.632 176.039 175.328 0.132 0.000 0.995 96 H CA 0.232 56.354 56.048 0.124 0.000 1.417 96 H CB 1.630 31.473 29.762 0.135 0.000 1.598 96 H HN 0.723 nan 8.280 nan 0.000 0.515 97 G N 2.041 110.956 108.800 0.191 0.000 2.562 97 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.250 97 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.250 97 G C -0.131 174.822 174.900 0.087 0.000 1.269 97 G CA -0.251 44.934 45.100 0.141 0.000 0.919 97 G HN 0.871 nan 8.290 nan 0.000 0.574 98 A N -0.081 122.779 122.820 0.066 0.000 2.388 98 A HA 0.675 4.994 4.320 -0.000 0.000 0.257 98 A C 1.238 178.845 177.584 0.039 0.000 1.095 98 A CA 1.172 53.213 52.037 0.008 0.000 0.791 98 A CB 0.031 19.012 19.000 -0.031 0.000 1.029 98 A HN 2.263 nan 8.150 nan 0.000 0.489 99 T N 0.158 114.691 114.554 -0.034 0.000 3.162 99 T HA 0.411 4.761 4.350 -0.000 0.000 0.264 99 T C -0.286 174.442 174.700 0.047 0.000 0.959 99 T CA -0.147 61.950 62.100 -0.004 0.000 1.118 99 T CB -0.605 68.085 68.868 -0.297 0.000 0.979 99 T HN 1.531 nan 8.240 nan 0.000 0.679 100 V N 5.762 125.747 119.914 0.118 0.000 2.789 100 V HA 0.638 4.758 4.120 -0.000 0.000 0.300 100 V C -1.169 175.016 176.094 0.153 0.000 1.184 100 V CA -1.153 61.210 62.300 0.106 0.000 0.930 100 V CB 1.836 33.699 31.823 0.067 0.000 1.041 100 V HN 0.997 nan 8.190 nan 0.000 0.430 101 L N 3.617 124.884 121.223 0.073 0.000 2.323 101 L HA 0.893 5.233 4.340 -0.000 0.000 0.265 101 L C -0.516 176.414 176.870 0.100 0.000 1.012 101 L CA -0.374 54.448 54.840 -0.030 0.000 0.820 101 L CB 2.311 44.096 42.059 -0.456 0.000 1.334 101 L HN 0.640 nan 8.230 nan 0.000 0.427 102 S N 2.077 117.866 115.700 0.149 0.000 2.528 102 S HA 0.476 4.945 4.470 -0.000 0.000 0.303 102 S C -1.738 172.815 174.600 -0.080 0.000 1.123 102 S CA -1.532 56.572 58.200 -0.161 0.000 1.138 102 S CB 0.773 63.778 63.200 -0.327 0.000 0.984 102 S HN 0.639 nan 8.310 nan 0.000 0.474 103 P HA -0.168 nan 4.420 nan 0.000 0.216 103 P C 1.730 178.980 177.300 -0.082 0.000 1.154 103 P CA 1.766 64.799 63.100 -0.112 0.000 0.865 103 P CB -0.321 31.240 31.700 -0.232 0.000 0.789 104 T N -2.863 111.585 114.554 -0.176 0.000 2.821 104 T HA -0.009 4.341 4.350 -0.000 0.000 0.267 104 T C 1.952 176.687 174.700 0.058 0.000 1.046 104 T CA 1.246 63.266 62.100 -0.133 0.000 1.139 104 T CB -1.128 67.543 68.868 -0.329 0.000 0.871 104 T HN 0.029 nan 8.240 nan 0.000 0.454 105 A N 1.169 124.020 122.820 0.051 0.000 1.897 105 A HA 0.160 4.480 4.320 -0.000 0.000 0.215 105 A C 2.622 180.320 177.584 0.191 0.000 1.181 105 A CA 1.275 53.420 52.037 0.180 0.000 0.620 105 A CB -1.056 18.032 19.000 0.146 0.000 0.821 105 A HN 0.378 nan 8.150 nan 0.000 0.443 106 V N -1.059 118.963 119.914 0.179 0.000 2.233 106 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 106 V C 2.275 178.445 176.094 0.127 0.000 1.050 106 V CA 2.371 64.783 62.300 0.187 0.000 1.010 106 V CB -0.986 30.959 31.823 0.203 0.000 0.637 106 V HN 0.625 nan 8.190 nan 0.000 0.444 107 F N 1.579 121.516 119.950 -0.021 0.000 2.091 107 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 107 F C 2.184 177.908 175.800 -0.126 0.000 1.103 107 F CA 1.969 59.928 58.000 -0.070 0.000 1.228 107 F CB -0.869 38.074 39.000 -0.096 0.000 0.984 107 F HN 0.145 nan 8.300 nan 0.000 0.477 108 G N -1.601 107.206 108.800 0.010 0.000 2.433 108 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.216 108 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.216 108 G C 1.648 176.309 174.900 -0.398 0.000 1.186 108 G CA 1.263 46.121 45.100 -0.405 0.000 0.779 108 G HN 0.408 nan 8.290 nan 0.000 0.543 109 T N 0.148 114.680 114.554 -0.038 0.000 2.759 109 T HA -0.045 4.305 4.350 -0.000 0.000 0.269 109 T C 2.337 176.960 174.700 -0.128 0.000 1.042 109 T CA 1.378 63.530 62.100 0.088 0.000 1.140 109 T CB -0.187 68.807 68.868 0.210 0.000 0.864 109 T HN 0.183 nan 8.240 nan 0.000 0.455 110 L N 0.121 121.247 121.223 -0.162 0.000 2.072 110 L HA 0.135 4.475 4.340 -0.000 0.000 0.205 110 L C 2.791 179.496 176.870 -0.274 0.000 1.079 110 L CA 1.305 56.028 54.840 -0.195 0.000 0.752 110 L CB -0.515 41.434 42.059 -0.184 0.000 0.906 110 L HN 0.334 nan 8.230 nan 0.000 0.436 111 A N -0.686 121.879 122.820 -0.425 0.000 2.015 111 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 111 A C 2.390 179.848 177.584 -0.210 0.000 1.163 111 A CA 1.606 53.403 52.037 -0.400 0.000 0.646 111 A CB -0.550 18.109 19.000 -0.568 0.000 0.806 111 A HN 0.610 nan 8.150 nan 0.000 0.448 112 S N -0.066 115.475 115.700 -0.264 0.000 2.414 112 S HA 0.024 4.494 4.470 -0.000 0.000 0.227 112 S C 1.768 176.261 174.600 -0.179 0.000 1.022 112 S CA 1.020 59.099 58.200 -0.201 0.000 0.958 112 S CB -0.599 62.567 63.200 -0.058 0.000 0.797 112 S HN 0.449 nan 8.310 nan 0.000 0.493 113 L N -0.094 120.951 121.223 -0.295 0.000 2.141 113 L HA -0.018 4.322 4.340 -0.000 0.000 0.209 113 L C 2.537 179.401 176.870 -0.009 0.000 1.094 113 L CA 1.548 56.268 54.840 -0.201 0.000 0.763 113 L CB -0.709 41.217 42.059 -0.222 0.000 0.908 113 L HN 0.347 nan 8.230 nan 0.000 0.437 114 Y N 0.838 121.067 120.300 -0.119 0.000 2.256 114 Y HA -0.283 4.267 4.550 -0.000 0.000 0.288 114 Y C 2.383 178.276 175.900 -0.012 0.000 1.155 114 Y CA 1.318 59.372 58.100 -0.076 0.000 1.203 114 Y CB -0.028 38.358 38.460 -0.124 0.000 0.980 114 Y HN 0.034 nan 8.280 nan 0.000 0.530 115 L N -0.206 120.983 121.223 -0.056 0.000 1.990 115 L HA -0.206 4.134 4.340 -0.000 0.000 0.213 115 L C 1.796 178.693 176.870 0.044 0.000 1.072 115 L CA 1.296 56.119 54.840 -0.027 0.000 0.755 115 L CB -1.079 41.022 42.059 0.070 0.000 0.889 115 L HN 0.395 nan 8.230 nan 0.000 0.432 116 G N -0.257 108.627 108.800 0.141 0.000 3.213 116 G HA2 0.477 4.436 3.960 -0.000 0.000 0.263 116 G HA3 0.477 4.436 3.960 -0.000 0.000 0.263 116 G C -0.432 174.413 174.900 -0.091 0.000 0.829 116 G CA 0.427 45.497 45.100 -0.050 0.000 1.983 116 G HN 0.339 nan 8.290 nan 0.000 0.616 117 A N 2.069 124.814 122.820 -0.125 0.000 2.480 117 A HA 0.638 4.958 4.320 -0.000 0.000 0.289 117 A C -0.192 177.319 177.584 -0.122 0.000 1.044 117 A CA -0.641 51.328 52.037 -0.113 0.000 0.761 117 A CB 0.970 19.907 19.000 -0.105 0.000 1.289 117 A HN 0.342 nan 8.150 nan 0.000 0.401 118 L N 1.041 122.231 121.223 -0.055 0.000 2.657 118 L HA 0.401 4.741 4.340 -0.000 0.000 0.240 118 L C 0.602 177.466 176.870 -0.010 0.000 1.151 118 L CA -1.148 53.672 54.840 -0.034 0.000 0.831 118 L CB 0.108 42.166 42.059 -0.001 0.000 1.539 118 L HN 0.901 nan 8.230 nan 0.000 0.511 119 D N -1.214 119.179 120.400 -0.013 0.000 2.429 119 D HA -0.118 4.522 4.640 -0.000 0.000 0.233 119 D C 0.675 176.973 176.300 -0.003 0.000 1.202 119 D CA 0.246 54.197 54.000 -0.081 0.000 0.879 119 D CB 0.226 40.918 40.800 -0.180 0.000 1.212 119 D HN 0.709 nan 8.370 nan 0.000 0.465 120 H N -0.308 118.769 119.070 0.011 0.000 4.803 120 H HA -0.248 4.308 4.556 -0.000 0.000 0.060 120 H C 1.733 177.066 175.328 0.009 0.000 0.602 120 H CA 2.190 58.242 56.048 0.006 0.000 0.950 120 H CB -1.952 27.808 29.762 -0.004 0.000 0.516 120 H HN 0.575 nan 8.280 nan 0.000 0.809 121 T N 2.017 116.658 114.554 0.144 0.000 2.708 121 T HA 0.023 4.373 4.350 -0.000 0.000 0.266 121 T C 2.120 176.866 174.700 0.078 0.000 1.037 121 T CA 2.271 64.414 62.100 0.071 0.000 1.146 121 T CB -0.559 68.333 68.868 0.039 0.000 0.865 121 T HN 0.626 nan 8.240 nan 0.000 0.435 122 A N 1.649 124.514 122.820 0.075 0.000 1.930 122 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 122 A C 1.975 179.697 177.584 0.230 0.000 1.175 122 A CA 1.697 53.830 52.037 0.160 0.000 0.627 122 A CB -0.575 18.417 19.000 -0.013 0.000 0.815 122 A HN 0.366 nan 8.150 nan 0.000 0.443 123 D N -0.744 119.723 120.400 0.111 0.000 2.310 123 D HA -0.043 4.597 4.640 -0.000 0.000 0.212 123 D C 2.109 178.443 176.300 0.056 0.000 0.965 123 D CA 0.839 54.882 54.000 0.072 0.000 0.879 123 D CB -0.122 40.677 40.800 -0.002 0.000 0.921 123 D HN 0.459 nan 8.370 nan 0.000 0.510 124 R N -0.328 120.207 120.500 0.058 0.000 2.057 124 R HA 0.175 4.515 4.340 -0.000 0.000 0.224 124 R C 2.321 178.629 176.300 0.013 0.000 1.136 124 R CA 0.365 56.482 56.100 0.028 0.000 0.968 124 R CB -0.290 30.018 30.300 0.014 0.000 0.863 124 R HN 0.118 nan 8.270 nan 0.000 0.433 125 L N 1.172 122.416 121.223 0.034 0.000 2.079 125 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 125 L C 2.475 179.296 176.870 -0.082 0.000 1.081 125 L CA 1.433 56.275 54.840 0.003 0.000 0.752 125 L CB -0.561 41.553 42.059 0.091 0.000 0.896 125 L HN 0.291 nan 8.230 nan 0.000 0.433 126 Q N -0.161 119.599 119.800 -0.067 0.000 2.047 126 Q HA -0.317 4.023 4.340 -0.000 0.000 0.211 126 Q C 2.413 178.368 176.000 -0.075 0.000 1.005 126 Q CA 2.256 57.970 55.803 -0.148 0.000 0.866 126 Q CB -0.437 28.292 28.738 -0.016 0.000 0.938 126 Q HN 0.622 nan 8.270 nan 0.000 0.414 127 A N 0.480 123.287 122.820 -0.021 0.000 1.898 127 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 127 A C 2.058 179.644 177.584 0.003 0.000 1.181 127 A CA 1.205 53.242 52.037 0.001 0.000 0.620 127 A CB -0.609 18.397 19.000 0.010 0.000 0.819 127 A HN 0.334 nan 8.150 nan 0.000 0.442 128 I N -0.224 120.338 120.570 -0.014 0.000 2.252 128 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 128 I C 2.299 178.409 176.117 -0.012 0.000 1.102 128 I CA 1.071 62.365 61.300 -0.011 0.000 1.385 128 I CB -0.409 37.575 38.000 -0.027 0.000 1.064 128 I HN 0.271 nan 8.210 nan 0.000 0.414 129 L N 0.613 121.791 121.223 -0.076 0.000 2.083 129 L HA 0.007 4.347 4.340 -0.000 0.000 0.209 129 L C 0.906 177.803 176.870 0.045 0.000 1.083 129 L CA 0.838 55.583 54.840 -0.157 0.000 0.752 129 L CB -0.803 41.020 42.059 -0.393 0.000 0.899 129 L HN 0.500 nan 8.230 nan 0.000 0.433 130 G N -0.070 108.773 108.800 0.072 0.000 3.199 130 G HA2 0.051 4.011 3.960 -0.000 0.000 0.680 130 G HA3 0.051 4.011 3.960 -0.000 0.000 0.680 130 G C -1.079 173.904 174.900 0.138 0.000 1.197 130 G CA -0.734 44.473 45.100 0.179 0.000 1.143 130 G HN -0.089 nan 8.290 nan 0.000 0.492 131 V N 3.985 123.947 119.914 0.080 0.000 3.126 131 V HA 0.883 5.003 4.120 -0.000 0.000 0.314 131 V C -1.698 174.447 176.094 0.086 0.000 1.138 131 V CA -1.158 61.181 62.300 0.063 0.000 1.034 131 V CB 2.650 34.465 31.823 -0.013 0.000 1.075 131 V HN 0.664 nan 8.190 nan 0.000 0.442 132 P HA 0.183 nan 4.420 nan 0.000 0.269 132 P C 0.361 177.830 177.300 0.283 0.000 1.857 132 P CA -0.173 63.006 63.100 0.133 0.000 1.213 132 P CB -0.047 31.720 31.700 0.110 0.000 1.702 133 W N 1.829 123.149 121.300 0.035 0.000 1.137 133 W HA -0.389 4.271 4.660 -0.000 0.000 0.222 133 W C 1.137 177.680 176.519 0.039 0.000 0.931 133 W CA 2.957 60.329 57.345 0.045 0.000 0.426 133 W CB -1.151 28.337 29.460 0.048 0.000 1.913 133 W HN 0.171 nan 8.180 nan 0.000 1.323 134 K N -0.245 120.302 120.400 0.244 0.000 2.412 134 K HA 0.075 4.395 4.320 -0.000 0.000 0.202 134 K C 0.384 177.016 176.600 0.054 0.000 1.102 134 K CA 0.781 57.109 56.287 0.068 0.000 1.027 134 K CB 0.225 32.919 32.500 0.323 0.000 0.931 134 K HN 0.141 nan 8.250 nan 0.000 0.557 135 D N 0.517 120.967 120.400 0.084 0.000 3.103 135 D HA -0.121 4.519 4.640 -0.000 0.000 0.211 135 D C -1.020 175.326 176.300 0.076 0.000 1.100 135 D CA 1.097 55.136 54.000 0.064 0.000 0.961 135 D CB -0.848 39.974 40.800 0.037 0.000 1.093 135 D HN 0.362 nan 8.370 nan 0.000 0.427 136 K N -1.073 119.389 120.400 0.103 0.000 2.625 136 K HA 0.385 4.705 4.320 -0.000 0.000 0.284 136 K C -0.669 176.000 176.600 0.114 0.000 0.984 136 K CA -0.763 55.581 56.287 0.095 0.000 0.865 136 K CB 1.096 33.648 32.500 0.087 0.000 1.468 136 K HN -0.149 nan 8.250 nan 0.000 0.407 137 N N 1.137 119.893 118.700 0.094 0.000 2.735 137 N HA 0.090 4.830 4.740 -0.000 0.000 0.312 137 N C 0.053 175.611 175.510 0.079 0.000 1.843 137 N CA -0.283 52.827 53.050 0.100 0.000 0.945 137 N CB 0.216 38.761 38.487 0.096 0.000 1.299 137 N HN 0.587 nan 8.380 nan 0.000 0.489 138 c N 1.362 120.010 118.600 0.080 0.000 2.485 138 c HA 0.043 4.613 4.570 -0.000 0.000 0.283 138 c C 0.504 174.625 174.090 0.052 0.000 1.478 138 c CA 1.157 57.522 56.329 0.061 0.000 1.741 138 c CB -2.392 40.157 42.510 0.065 0.000 1.675 138 c HN 0.764 nan 8.230 nan 0.000 0.573 139 T N -0.101 114.489 114.554 0.060 0.000 0.593 139 T HA -0.049 4.301 4.350 -0.000 0.000 0.768 139 T C -0.404 174.313 174.700 0.029 0.000 0.991 139 T CA 0.721 62.847 62.100 0.044 0.000 4.047 139 T CB -1.604 67.279 68.868 0.025 0.000 2.286 139 T HN 1.948 nan 8.240 nan 0.000 0.395 140 S N 2.846 118.558 115.700 0.021 0.000 2.755 140 S HA 0.606 5.076 4.470 -0.000 0.000 0.286 140 S C 0.595 175.171 174.600 -0.041 0.000 1.207 140 S CA -0.746 57.450 58.200 -0.006 0.000 0.892 140 S CB 1.068 64.278 63.200 0.017 0.000 1.240 140 S HN 0.846 nan 8.310 nan 0.000 0.525 141 R N -0.363 120.101 120.500 -0.060 0.000 2.323 141 R HA 0.266 4.606 4.340 -0.000 0.000 0.198 141 R C 1.023 177.309 176.300 -0.024 0.000 0.988 141 R CA 0.366 56.413 56.100 -0.089 0.000 1.041 141 R CB -0.622 29.628 30.300 -0.083 0.000 0.926 141 R HN 0.413 nan 8.270 nan 0.000 0.476 142 L N 0.365 121.553 121.223 -0.059 0.000 2.102 142 L HA -0.012 4.328 4.340 -0.000 0.000 0.202 142 L C 0.271 177.039 176.870 -0.170 0.000 1.076 142 L CA 1.300 56.025 54.840 -0.192 0.000 0.761 142 L CB -0.127 41.770 42.059 -0.269 0.000 0.921 142 L HN -0.065 nan 8.230 nan 0.000 0.444 143 D N 0.304 120.690 120.400 -0.023 0.000 2.346 143 D HA 0.347 4.987 4.640 -0.000 0.000 0.267 143 D C 1.099 177.523 176.300 0.208 0.000 1.320 143 D CA 1.057 55.121 54.000 0.107 0.000 0.951 143 D CB 0.814 41.728 40.800 0.190 0.000 1.079 143 D HN 0.311 nan 8.370 nan 0.000 0.509 144 A N 3.162 126.092 122.820 0.184 0.000 2.169 144 A HA -0.303 4.017 4.320 -0.000 0.000 0.222 144 A C 1.646 179.221 177.584 -0.015 0.000 0.622 144 A CA 0.823 52.955 52.037 0.157 0.000 1.238 144 A CB -1.615 17.483 19.000 0.163 0.000 1.378 144 A HN 0.721 nan 8.150 nan 0.000 0.701 145 H N -0.330 118.715 119.070 -0.042 0.000 2.415 145 H HA 0.036 4.592 4.556 -0.000 0.000 0.297 145 H C 1.929 177.202 175.328 -0.091 0.000 1.048 145 H CA 1.239 57.254 56.048 -0.055 0.000 1.365 145 H CB 0.007 29.744 29.762 -0.041 0.000 1.421 145 H HN 0.520 nan 8.280 nan 0.000 0.533 146 K N 0.797 121.171 120.400 -0.044 0.000 2.031 146 K HA -0.042 4.278 4.320 -0.000 0.000 0.205 146 K C 2.295 178.747 176.600 -0.247 0.000 1.049 146 K CA 0.477 56.645 56.287 -0.198 0.000 0.939 146 K CB -0.679 31.568 32.500 -0.422 0.000 0.717 146 K HN 0.056 nan 8.250 nan 0.000 0.438 147 V N 2.152 121.892 119.914 -0.291 0.000 2.332 147 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 147 V C 2.449 178.503 176.094 -0.066 0.000 1.055 147 V CA 1.465 63.645 62.300 -0.200 0.000 1.038 147 V CB -0.421 31.312 31.823 -0.150 0.000 0.651 147 V HN 0.182 nan 8.190 nan 0.000 0.450 148 L N 0.441 121.618 121.223 -0.077 0.000 2.027 148 L HA -0.129 4.211 4.340 -0.000 0.000 0.206 148 L C 2.672 179.589 176.870 0.078 0.000 1.074 148 L CA 1.906 56.727 54.840 -0.031 0.000 0.745 148 L CB -0.744 41.273 42.059 -0.071 0.000 0.898 148 L HN 0.524 nan 8.230 nan 0.000 0.433 149 S N -0.150 115.571 115.700 0.035 0.000 2.453 149 S HA -0.043 4.427 4.470 -0.000 0.000 0.231 149 S C 2.067 176.701 174.600 0.057 0.000 1.005 149 S CA 0.623 58.857 58.200 0.055 0.000 0.949 149 S CB -0.281 62.941 63.200 0.036 0.000 0.774 149 S HN 0.332 nan 8.310 nan 0.000 0.510 150 A N 1.470 124.309 122.820 0.032 0.000 1.930 150 A HA 0.202 4.522 4.320 -0.000 0.000 0.217 150 A C 2.112 179.742 177.584 0.077 0.000 1.175 150 A CA 1.167 53.233 52.037 0.048 0.000 0.627 150 A CB -0.637 18.380 19.000 0.029 0.000 0.815 150 A HN 0.479 nan 8.150 nan 0.000 0.443 151 L N -0.633 120.655 121.223 0.108 0.000 2.313 151 L HA -0.020 4.320 4.340 -0.000 0.000 0.214 151 L C 2.362 179.366 176.870 0.222 0.000 1.119 151 L CA 1.994 56.932 54.840 0.163 0.000 0.809 151 L CB -0.485 41.695 42.059 0.202 0.000 0.933 151 L HN 0.540 nan 8.230 nan 0.000 0.449 152 Q N -0.128 119.795 119.800 0.205 0.000 2.050 152 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 152 Q C 2.211 178.271 176.000 0.099 0.000 0.980 152 Q CA 2.183 58.067 55.803 0.136 0.000 0.840 152 Q CB -0.375 28.423 28.738 0.100 0.000 0.898 152 Q HN 0.488 nan 8.270 nan 0.000 0.424 153 A N 0.272 123.144 122.820 0.087 0.000 1.892 153 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 153 A C 2.278 179.910 177.584 0.080 0.000 1.188 153 A CA 2.309 54.389 52.037 0.071 0.000 0.631 153 A CB -1.462 17.576 19.000 0.063 0.000 0.822 153 A HN 0.651 nan 8.150 nan 0.000 0.447 154 V N -2.159 117.807 119.914 0.087 0.000 2.594 154 V HA -0.315 3.805 4.120 -0.000 0.000 0.253 154 V C 2.047 178.262 176.094 0.202 0.000 1.069 154 V CA 2.372 64.730 62.300 0.097 0.000 1.082 154 V CB -1.163 30.670 31.823 0.016 0.000 0.680 154 V HN 0.647 nan 8.190 nan 0.000 0.469 155 Q N 1.235 121.152 119.800 0.195 0.000 2.049 155 Q HA 0.029 4.369 4.340 -0.000 0.000 0.198 155 Q C 2.459 178.524 176.000 0.108 0.000 0.971 155 Q CA 1.642 57.570 55.803 0.209 0.000 0.833 155 Q CB -0.662 28.165 28.738 0.148 0.000 0.896 155 Q HN 0.731 nan 8.270 nan 0.000 0.434 156 G N 0.966 109.812 108.800 0.077 0.000 2.432 156 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 156 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 156 G C 1.401 176.325 174.900 0.040 0.000 1.135 156 G CA 0.461 45.588 45.100 0.045 0.000 0.767 156 G HN 0.156 nan 8.290 nan 0.000 0.550 157 L N -0.257 121.001 121.223 0.058 0.000 2.083 157 L HA 0.027 4.367 4.340 -0.000 0.000 0.209 157 L C 2.693 179.585 176.870 0.038 0.000 1.083 157 L CA 0.644 55.514 54.840 0.049 0.000 0.752 157 L CB -0.252 41.841 42.059 0.056 0.000 0.899 157 L HN 0.299 nan 8.230 nan 0.000 0.433 158 L N -0.657 120.589 121.223 0.038 0.000 1.988 158 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 158 L C 1.399 178.243 176.870 -0.043 0.000 1.071 158 L CA 1.029 55.842 54.840 -0.045 0.000 0.744 158 L CB 0.037 41.933 42.059 -0.271 0.000 0.893 158 L HN -0.034 nan 8.230 nan 0.000 0.433 159 V N 1.254 121.138 119.914 -0.049 0.000 2.149 159 V HA 0.328 4.447 4.120 -0.000 0.000 0.245 159 V C 0.847 176.925 176.094 -0.026 0.000 1.349 159 V CA 0.476 62.737 62.300 -0.064 0.000 1.289 159 V CB -0.199 31.575 31.823 -0.082 0.000 1.401 159 V HN 0.534 nan 8.190 nan 0.000 0.501 160 A N 3.621 126.436 122.820 -0.009 0.000 2.164 160 A HA 0.546 4.866 4.320 -0.000 0.000 0.218 160 A C 1.367 178.957 177.584 0.011 0.000 2.050 160 A CA 1.097 53.138 52.037 0.007 0.000 0.910 160 A CB -0.427 18.585 19.000 0.020 0.000 1.391 160 A HN 1.788 nan 8.150 nan 0.000 0.614 161 Q N -0.911 118.904 119.800 0.024 0.000 2.459 161 Q HA -0.079 4.260 4.340 -0.000 0.000 0.314 161 Q C 1.591 177.607 176.000 0.027 0.000 1.432 161 Q CA 1.671 57.492 55.803 0.031 0.000 0.823 161 Q CB -2.802 25.949 28.738 0.022 0.000 1.124 161 Q HN 2.229 nan 8.270 nan 0.000 0.392 162 G N 0.952 109.769 108.800 0.029 0.000 2.484 162 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.215 162 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.215 162 G C 1.479 176.394 174.900 0.025 0.000 1.219 162 G CA 1.273 46.388 45.100 0.025 0.000 0.791 162 G HN 1.348 nan 8.290 nan 0.000 0.550 163 R N 0.310 120.828 120.500 0.029 0.000 2.236 163 R HA 0.442 4.782 4.340 -0.000 0.000 0.208 163 R C 2.495 178.813 176.300 0.029 0.000 1.036 163 R CA 1.158 57.275 56.100 0.028 0.000 1.001 163 R CB -0.296 30.023 30.300 0.031 0.000 0.896 163 R HN 0.259 nan 8.270 nan 0.000 0.464 164 A N 1.449 124.288 122.820 0.033 0.000 1.897 164 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 164 A C 1.268 178.867 177.584 0.025 0.000 1.181 164 A CA 1.537 53.594 52.037 0.034 0.000 0.620 164 A CB -0.426 18.598 19.000 0.041 0.000 0.821 164 A HN 0.545 nan 8.150 nan 0.000 0.443 165 D N -2.019 118.394 120.400 0.021 0.000 4.137 165 D HA -0.184 4.456 4.640 -0.000 0.000 0.214 165 D C 0.777 177.084 176.300 0.012 0.000 1.236 165 D CA 1.981 55.990 54.000 0.015 0.000 2.360 165 D CB -1.631 39.178 40.800 0.014 0.000 1.205 165 D HN 0.435 nan 8.370 nan 0.000 0.406 166 S N -0.031 115.678 115.700 0.014 0.000 2.612 166 S HA 0.133 4.603 4.470 -0.000 0.000 0.253 166 S C -0.073 174.533 174.600 0.009 0.000 1.346 166 S CA -0.159 58.048 58.200 0.012 0.000 0.976 166 S CB 0.351 63.560 63.200 0.015 0.000 0.949 166 S HN 0.351 nan 8.310 nan 0.000 0.584 167 Q N 0.719 120.521 119.800 0.004 0.000 2.242 167 Q HA 0.116 4.456 4.340 -0.000 0.000 0.284 167 Q C 1.056 177.054 176.000 -0.003 0.000 1.130 167 Q CA -0.058 55.741 55.803 -0.005 0.000 0.940 167 Q CB 0.193 28.925 28.738 -0.010 0.000 1.146 167 Q HN 0.751 nan 8.270 nan 0.000 0.388 168 A N 3.601 126.415 122.820 -0.010 0.000 2.067 168 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 168 A C 1.781 179.350 177.584 -0.025 0.000 1.158 168 A CA 1.850 53.886 52.037 -0.002 0.000 0.661 168 A CB -0.474 18.520 19.000 -0.009 0.000 0.801 168 A HN 0.988 nan 8.150 nan 0.000 0.452 169 Q N -2.148 117.613 119.800 -0.065 0.000 2.347 169 Q HA -0.211 4.129 4.340 -0.000 0.000 0.159 169 Q C 0.602 176.471 176.000 -0.218 0.000 0.568 169 Q CA 1.482 57.226 55.803 -0.098 0.000 1.340 169 Q CB -3.102 25.610 28.738 -0.042 0.000 1.236 169 Q HN 1.857 nan 8.270 nan 0.000 0.988 170 L N -1.629 119.422 121.223 -0.287 0.000 2.312 170 L HA 0.911 5.251 4.340 -0.000 0.000 0.281 170 L C 0.255 176.858 176.870 -0.445 0.000 1.070 170 L CA -0.905 53.620 54.840 -0.526 0.000 0.805 170 L CB 1.423 43.111 42.059 -0.618 0.000 1.174 170 L HN 0.491 nan 8.230 nan 0.000 0.434 171 L N 4.592 125.458 121.223 -0.595 0.000 2.401 171 L HA 0.608 4.948 4.340 -0.000 0.000 0.266 171 L C -1.474 175.129 176.870 -0.445 0.000 0.991 171 L CA -0.881 53.727 54.840 -0.387 0.000 0.818 171 L CB 2.310 44.223 42.059 -0.243 0.000 1.321 171 L HN 0.729 nan 8.230 nan 0.000 0.413 172 L N 3.109 124.224 121.223 -0.181 0.000 2.518 172 L HA 0.490 4.829 4.340 -0.000 0.000 0.262 172 L C -1.109 175.795 176.870 0.058 0.000 0.982 172 L CA 0.178 55.002 54.840 -0.026 0.000 0.873 172 L CB 1.706 43.808 42.059 0.072 0.000 1.198 172 L HN 0.465 nan 8.230 nan 0.000 0.427 173 S N 1.983 117.743 115.700 0.101 0.000 2.525 173 S HA 0.861 5.331 4.470 -0.000 0.000 0.290 173 S C -0.337 174.381 174.600 0.197 0.000 1.152 173 S CA -0.414 57.884 58.200 0.163 0.000 1.072 173 S CB 1.437 64.797 63.200 0.266 0.000 1.027 173 S HN 0.664 nan 8.310 nan 0.000 0.500 174 T N -0.769 113.879 114.554 0.157 0.000 3.078 174 T HA 0.473 4.823 4.350 -0.000 0.000 0.328 174 T C -0.560 174.191 174.700 0.086 0.000 0.987 174 T CA -0.833 61.345 62.100 0.129 0.000 1.049 174 T CB 0.074 68.946 68.868 0.007 0.000 1.011 174 T HN 0.514 nan 8.240 nan 0.000 0.463 175 V N 0.650 120.677 119.914 0.188 0.000 2.370 175 V HA 0.811 4.931 4.120 -0.000 0.000 0.283 175 V C -0.278 175.908 176.094 0.153 0.000 1.023 175 V CA -0.902 61.472 62.300 0.123 0.000 0.857 175 V CB 1.286 33.172 31.823 0.106 0.000 0.985 175 V HN 0.653 nan 8.190 nan 0.000 0.443 176 V N 5.680 125.619 119.914 0.040 0.000 2.334 176 V HA 0.616 4.736 4.120 -0.000 0.000 0.267 176 V C 1.207 177.227 176.094 -0.123 0.000 1.040 176 V CA 0.329 62.620 62.300 -0.014 0.000 0.866 176 V CB 0.881 32.662 31.823 -0.070 0.000 1.019 176 V HN 1.134 nan 8.190 nan 0.000 0.468 177 G N 3.551 112.327 108.800 -0.040 0.000 2.370 177 G HA2 0.479 4.439 3.960 -0.000 0.000 0.272 177 G HA3 0.479 4.439 3.960 -0.000 0.000 0.272 177 G C -0.495 174.100 174.900 -0.508 0.000 1.208 177 G CA -0.225 44.694 45.100 -0.301 0.000 0.856 177 G HN 0.574 nan 8.290 nan 0.000 0.500 178 V N 3.468 122.968 119.914 -0.689 0.000 2.313 178 V HA 0.222 4.342 4.120 -0.000 0.000 0.262 178 V C -0.910 174.999 176.094 -0.309 0.000 1.011 178 V CA -0.696 61.368 62.300 -0.393 0.000 0.858 178 V CB -0.142 31.562 31.823 -0.198 0.000 1.104 178 V HN 0.588 nan 8.190 nan 0.000 0.456 179 F N 2.672 122.668 119.950 0.077 0.000 2.405 179 F HA 0.449 4.976 4.527 -0.000 0.000 0.358 179 F C 1.374 177.283 175.800 0.183 0.000 1.151 179 F CA -0.370 57.708 58.000 0.129 0.000 1.161 179 F CB 0.841 39.956 39.000 0.192 0.000 1.245 179 F HN 0.433 nan 8.300 nan 0.000 0.545 180 T N 0.176 114.862 114.554 0.221 0.000 2.881 180 T HA 0.802 5.152 4.350 -0.000 0.000 0.278 180 T C 0.348 175.187 174.700 0.230 0.000 0.982 180 T CA -0.919 61.251 62.100 0.116 0.000 0.989 180 T CB 1.540 70.403 68.868 -0.009 0.000 1.058 180 T HN 0.598 nan 8.240 nan 0.000 0.529 181 A N 1.393 124.274 122.820 0.103 0.000 2.280 181 A HA 0.652 4.972 4.320 -0.000 0.000 0.268 181 A C -2.428 175.210 177.584 0.090 0.000 1.111 181 A CA -1.788 50.355 52.037 0.176 0.000 0.814 181 A CB -0.860 18.176 19.000 0.059 0.000 1.093 181 A HN 0.729 nan 8.150 nan 0.000 0.498 182 P HA 0.347 nan 4.420 nan 0.000 0.276 182 P C 0.576 177.875 177.300 -0.003 0.000 1.235 182 P CA 1.458 64.572 63.100 0.023 0.000 0.772 182 P CB 0.746 32.463 31.700 0.028 0.000 0.871 183 G N 2.585 111.353 108.800 -0.054 0.000 2.147 183 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 183 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 183 G C -0.244 174.636 174.900 -0.033 0.000 1.005 183 G CA -0.342 44.722 45.100 -0.059 0.000 0.713 183 G HN 0.577 nan 8.290 nan 0.000 0.515 184 L N 2.125 123.295 121.223 -0.090 0.000 2.270 184 L HA 0.371 4.711 4.340 -0.000 0.000 0.286 184 L C 0.470 177.253 176.870 -0.145 0.000 1.059 184 L CA -0.918 53.886 54.840 -0.061 0.000 0.839 184 L CB 0.153 42.172 42.059 -0.067 0.000 1.221 184 L HN 0.247 nan 8.230 nan 0.000 0.431 185 H N 6.435 125.436 119.070 -0.114 0.000 3.224 185 H HA 0.102 4.658 4.556 -0.000 0.000 0.265 185 H C -0.129 175.061 175.328 -0.230 0.000 1.461 185 H CA -0.613 55.343 56.048 -0.153 0.000 1.509 185 H CB 0.059 29.771 29.762 -0.084 0.000 1.686 185 H HN 0.465 nan 8.280 nan 0.000 0.514 186 L N 0.240 121.276 121.223 -0.310 0.000 2.397 186 L HA 0.291 4.631 4.340 -0.000 0.000 0.271 186 L C 0.189 176.830 176.870 -0.382 0.000 1.148 186 L CA -0.431 54.197 54.840 -0.355 0.000 0.825 186 L CB 0.634 42.461 42.059 -0.387 0.000 1.117 186 L HN 0.121 nan 8.230 nan 0.000 0.456 187 K N 1.430 121.734 120.400 -0.159 0.000 2.202 187 K HA 0.107 4.427 4.320 -0.000 0.000 0.264 187 K C 0.587 177.305 176.600 0.196 0.000 1.010 187 K CA -0.384 55.913 56.287 0.016 0.000 0.940 187 K CB 1.066 33.590 32.500 0.040 0.000 0.983 187 K HN 0.739 nan 8.250 nan 0.000 0.475 188 Q N 3.193 123.168 119.800 0.293 0.000 1.990 188 Q HA -0.079 4.261 4.340 -0.000 0.000 0.200 188 Q C -1.016 175.152 176.000 0.279 0.000 0.980 188 Q CA 1.797 57.826 55.803 0.375 0.000 0.832 188 Q CB -0.993 27.905 28.738 0.267 0.000 0.897 188 Q HN 0.431 nan 8.270 nan 0.000 0.427 189 P HA -0.159 nan 4.420 nan 0.000 0.219 189 P C 1.136 178.561 177.300 0.210 0.000 1.146 189 P CA 1.045 64.260 63.100 0.192 0.000 0.808 189 P CB -0.327 31.472 31.700 0.165 0.000 0.779 190 F N 1.416 121.423 119.950 0.094 0.000 2.134 190 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 190 F C 1.968 177.818 175.800 0.083 0.000 1.097 190 F CA 1.404 59.442 58.000 0.064 0.000 1.264 190 F CB -0.785 38.243 39.000 0.047 0.000 1.001 190 F HN -0.312 nan 8.300 nan 0.000 0.479 191 V N 0.422 120.463 119.914 0.212 0.000 2.515 191 V HA -0.281 3.839 4.120 -0.000 0.000 0.250 191 V C 2.232 178.329 176.094 0.004 0.000 1.058 191 V CA 2.047 64.423 62.300 0.127 0.000 1.064 191 V CB -0.898 31.133 31.823 0.347 0.000 0.675 191 V HN 0.409 nan 8.190 nan 0.000 0.461 192 Q N 0.235 120.056 119.800 0.035 0.000 2.167 192 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 192 Q C 2.412 178.371 176.000 -0.068 0.000 0.970 192 Q CA 1.460 57.271 55.803 0.014 0.000 0.855 192 Q CB -0.448 28.333 28.738 0.072 0.000 0.911 192 Q HN 0.730 nan 8.270 nan 0.000 0.438 193 G N 0.886 109.572 108.800 -0.191 0.000 2.421 193 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 193 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 193 G C 1.278 176.004 174.900 -0.290 0.000 1.171 193 G CA 0.567 45.413 45.100 -0.422 0.000 0.775 193 G HN 0.151 nan 8.290 nan 0.000 0.543 194 L N 1.468 122.511 121.223 -0.299 0.000 2.127 194 L HA 0.037 4.377 4.340 -0.000 0.000 0.211 194 L C 3.259 180.119 176.870 -0.017 0.000 1.089 194 L CA 1.570 56.338 54.840 -0.120 0.000 0.757 194 L CB -0.795 41.187 42.059 -0.129 0.000 0.899 194 L HN 0.290 nan 8.230 nan 0.000 0.434 195 A N -0.975 121.819 122.820 -0.043 0.000 1.940 195 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 195 A C 2.210 179.795 177.584 0.002 0.000 1.176 195 A CA 1.585 53.612 52.037 -0.016 0.000 0.631 195 A CB -0.663 18.329 19.000 -0.013 0.000 0.814 195 A HN 0.324 nan 8.150 nan 0.000 0.446 196 L N -1.973 119.250 121.223 -0.000 0.000 2.093 196 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 196 L C 2.405 179.332 176.870 0.095 0.000 1.085 196 L CA 1.651 56.508 54.840 0.028 0.000 0.755 196 L CB -0.900 41.157 42.059 -0.003 0.000 0.904 196 L HN 0.599 nan 8.230 nan 0.000 0.435 197 Y N -0.486 119.790 120.300 -0.040 0.000 2.184 197 Y HA -0.016 4.534 4.550 -0.000 0.000 0.290 197 Y C 1.200 177.114 175.900 0.024 0.000 1.129 197 Y CA 1.024 59.123 58.100 -0.002 0.000 1.144 197 Y CB -0.039 38.423 38.460 0.003 0.000 0.995 197 Y HN 0.127 nan 8.280 nan 0.000 0.513 198 T N -0.310 114.169 114.554 -0.126 0.000 2.956 198 T HA 0.347 4.697 4.350 -0.000 0.000 0.312 198 T C -2.370 172.282 174.700 -0.080 0.000 1.151 198 T CA -1.841 60.141 62.100 -0.197 0.000 1.024 198 T CB 1.737 70.402 68.868 -0.339 0.000 1.140 198 T HN -0.175 nan 8.240 nan 0.000 0.473 199 P HA 0.043 nan 4.420 nan 0.000 0.216 199 P C 0.372 177.649 177.300 -0.038 0.000 1.153 199 P CA 0.551 63.629 63.100 -0.035 0.000 0.848 199 P CB 0.040 31.725 31.700 -0.026 0.000 0.787 200 V N 1.331 121.220 119.914 -0.042 0.000 2.242 200 V HA 0.043 4.163 4.120 -0.000 0.000 0.242 200 V C 0.163 176.231 176.094 -0.043 0.000 1.240 200 V CA 0.095 62.372 62.300 -0.038 0.000 1.211 200 V CB -0.401 31.407 31.823 -0.026 0.000 1.338 200 V HN -0.175 nan 8.190 nan 0.000 0.499 201 V N 6.635 126.525 119.914 -0.041 0.000 2.347 201 V HA 0.413 4.533 4.120 -0.000 0.000 0.280 201 V C 0.037 176.104 176.094 -0.045 0.000 1.021 201 V CA -0.353 61.920 62.300 -0.046 0.000 0.847 201 V CB 1.653 33.461 31.823 -0.024 0.000 0.990 201 V HN 0.620 nan 8.190 nan 0.000 0.444 202 L N 7.890 129.063 121.223 -0.084 0.000 2.502 202 L HA 0.393 4.733 4.340 -0.000 0.000 0.247 202 L C -2.345 174.399 176.870 -0.212 0.000 1.180 202 L CA -1.393 53.401 54.840 -0.077 0.000 0.956 202 L CB 1.679 43.740 42.059 0.003 0.000 1.282 202 L HN 0.442 nan 8.230 nan 0.000 0.470 203 P HA 0.317 nan 4.420 nan 0.000 0.282 203 P C -0.797 176.440 177.300 -0.105 0.000 1.262 203 P CA -0.382 62.640 63.100 -0.130 0.000 0.773 203 P CB 1.416 33.166 31.700 0.082 0.000 0.879 204 R N 1.490 121.876 120.500 -0.191 0.000 2.536 204 R HA 0.345 4.684 4.340 -0.000 0.000 0.269 204 R C -0.147 176.156 176.300 0.004 0.000 1.113 204 R CA -0.374 55.661 56.100 -0.107 0.000 0.948 204 R CB 1.564 31.719 30.300 -0.243 0.000 1.237 204 R HN 0.565 nan 8.270 nan 0.000 0.441 205 S N 2.718 118.420 115.700 0.003 0.000 2.600 205 S HA 0.612 5.081 4.470 -0.000 0.000 0.265 205 S C -0.425 174.190 174.600 0.026 0.000 1.325 205 S CA -0.520 57.707 58.200 0.045 0.000 1.002 205 S CB 1.263 64.466 63.200 0.006 0.000 0.921 205 S HN 0.433 nan 8.310 nan 0.000 0.554 206 L N 0.434 121.687 121.223 0.050 0.000 2.612 206 L HA 0.520 4.860 4.340 -0.000 0.000 0.256 206 L C -1.926 174.888 176.870 -0.092 0.000 0.949 206 L CA -0.339 54.427 54.840 -0.123 0.000 0.867 206 L CB 2.195 44.039 42.059 -0.358 0.000 1.417 206 L HN 0.840 nan 8.230 nan 0.000 0.414 207 D N 2.240 122.540 120.400 -0.167 0.000 2.411 207 D HA 0.260 4.900 4.640 -0.000 0.000 0.225 207 D C 0.353 176.569 176.300 -0.140 0.000 1.156 207 D CA 0.248 54.207 54.000 -0.069 0.000 0.874 207 D CB 0.230 40.994 40.800 -0.059 0.000 1.034 207 D HN 0.409 nan 8.370 nan 0.000 0.502 208 F N 1.022 120.960 119.950 -0.021 0.000 2.780 208 F HA -0.025 4.502 4.527 -0.000 0.000 0.299 208 F C 2.563 178.354 175.800 -0.014 0.000 1.146 208 F CA 0.519 58.508 58.000 -0.018 0.000 1.428 208 F CB -0.040 38.955 39.000 -0.009 0.000 1.115 208 F HN 0.385 nan 8.300 nan 0.000 0.583 209 T N -2.124 112.507 114.554 0.128 0.000 2.759 209 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 209 T C 0.776 175.499 174.700 0.038 0.000 1.042 209 T CA 0.939 63.082 62.100 0.073 0.000 1.140 209 T CB -0.448 68.448 68.868 0.046 0.000 0.864 209 T HN 0.228 nan 8.240 nan 0.000 0.455 210 E N 1.097 121.300 120.200 0.005 0.000 2.014 210 E HA 0.380 4.730 4.350 -0.000 0.000 0.275 210 E C 0.648 177.225 176.600 -0.038 0.000 0.997 210 E CA -0.295 56.094 56.400 -0.017 0.000 0.804 210 E CB 1.024 30.703 29.700 -0.035 0.000 1.090 210 E HN 0.376 nan 8.360 nan 0.000 0.401 211 L N 2.258 123.477 121.223 -0.007 0.000 2.072 211 L HA -0.166 4.173 4.340 -0.000 0.000 0.205 211 L C 1.428 178.275 176.870 -0.039 0.000 1.079 211 L CA 0.838 55.672 54.840 -0.009 0.000 0.752 211 L CB -0.145 41.934 42.059 0.032 0.000 0.906 211 L HN 0.440 nan 8.230 nan 0.000 0.436 212 D N 0.050 120.434 120.400 -0.027 0.000 2.104 212 D HA -0.158 4.482 4.640 -0.000 0.000 0.194 212 D C 2.299 178.568 176.300 -0.052 0.000 0.994 212 D CA 1.228 55.210 54.000 -0.030 0.000 0.830 212 D CB -0.252 40.538 40.800 -0.018 0.000 0.959 212 D HN 0.112 nan 8.370 nan 0.000 0.452 213 V N 1.072 120.948 119.914 -0.064 0.000 2.548 213 V HA -0.123 3.997 4.120 -0.000 0.000 0.249 213 V C 2.423 178.440 176.094 -0.128 0.000 1.055 213 V CA 1.480 63.731 62.300 -0.081 0.000 1.065 213 V CB -0.660 31.119 31.823 -0.073 0.000 0.681 213 V HN 0.166 nan 8.190 nan 0.000 0.462 214 A N 0.335 123.050 122.820 -0.175 0.000 1.873 214 A HA -0.034 4.286 4.320 -0.000 0.000 0.215 214 A C 2.452 179.888 177.584 -0.246 0.000 1.186 214 A CA 1.857 53.719 52.037 -0.292 0.000 0.616 214 A CB -0.838 17.892 19.000 -0.450 0.000 0.823 214 A HN 0.525 nan 8.150 nan 0.000 0.442 215 A N 0.844 123.569 122.820 -0.159 0.000 1.908 215 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 215 A C 2.016 179.547 177.584 -0.088 0.000 1.181 215 A CA 1.910 53.883 52.037 -0.107 0.000 0.627 215 A CB -0.692 18.277 19.000 -0.052 0.000 0.818 215 A HN 0.803 nan 8.150 nan 0.000 0.445 216 E N -1.051 119.102 120.200 -0.077 0.000 2.107 216 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 216 E C 1.702 178.262 176.600 -0.067 0.000 0.982 216 E CA 1.010 57.377 56.400 -0.056 0.000 0.809 216 E CB -0.197 29.477 29.700 -0.043 0.000 0.756 216 E HN 0.302 nan 8.360 nan 0.000 0.459 217 K N 0.528 120.868 120.400 -0.099 0.000 2.167 217 K HA -0.013 4.307 4.320 -0.000 0.000 0.203 217 K C 2.080 178.613 176.600 -0.112 0.000 1.052 217 K CA 0.447 56.676 56.287 -0.098 0.000 0.956 217 K CB -0.235 32.189 32.500 -0.126 0.000 0.735 217 K HN 0.197 nan 8.250 nan 0.000 0.451 218 I N 2.119 122.571 120.570 -0.198 0.000 2.361 218 I HA -0.245 3.925 4.170 -0.000 0.000 0.251 218 I C 1.502 177.551 176.117 -0.113 0.000 1.133 218 I CA 1.551 62.682 61.300 -0.282 0.000 1.413 218 I CB -0.047 37.699 38.000 -0.422 0.000 1.073 218 I HN 0.083 nan 8.210 nan 0.000 0.424 219 D N 0.103 120.467 120.400 -0.061 0.000 2.123 219 D HA -0.125 4.515 4.640 -0.000 0.000 0.200 219 D C 2.323 178.605 176.300 -0.030 0.000 0.976 219 D CA 0.989 54.980 54.000 -0.015 0.000 0.831 219 D CB -0.141 40.662 40.800 0.005 0.000 0.974 219 D HN 0.335 nan 8.370 nan 0.000 0.469 220 R N -0.238 120.248 120.500 -0.025 0.000 2.120 220 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 220 R C 2.226 178.515 176.300 -0.018 0.000 1.123 220 R CA 0.718 56.801 56.100 -0.027 0.000 0.975 220 R CB -0.319 29.971 30.300 -0.018 0.000 0.866 220 R HN 0.204 nan 8.270 nan 0.000 0.446 221 F N 0.679 120.550 119.950 -0.131 0.000 2.074 221 F HA -0.184 4.343 4.527 -0.000 0.000 0.293 221 F C 2.176 177.885 175.800 -0.153 0.000 1.116 221 F CA 1.284 59.213 58.000 -0.118 0.000 1.212 221 F CB 0.006 38.954 39.000 -0.087 0.000 0.998 221 F HN -0.149 nan 8.300 nan 0.000 0.471 222 M N 0.508 119.979 119.600 -0.215 0.000 2.067 222 M HA -0.237 4.243 4.480 -0.000 0.000 0.260 222 M C 2.170 178.183 176.300 -0.479 0.000 1.069 222 M CA 1.722 56.761 55.300 -0.435 0.000 1.117 222 M CB -1.566 30.776 32.600 -0.429 0.000 1.334 222 M HN 0.335 nan 8.290 nan 0.000 0.407 223 Q N -0.466 119.144 119.800 -0.317 0.000 2.181 223 Q HA -0.107 4.233 4.340 -0.000 0.000 0.205 223 Q C 2.134 177.918 176.000 -0.360 0.000 0.980 223 Q CA 1.617 57.234 55.803 -0.309 0.000 0.862 223 Q CB -0.268 28.374 28.738 -0.160 0.000 0.905 223 Q HN 0.577 nan 8.270 nan 0.000 0.429 224 A N 0.157 122.773 122.820 -0.340 0.000 1.872 224 A HA -0.100 4.220 4.320 -0.000 0.000 0.214 224 A C 2.283 179.605 177.584 -0.436 0.000 1.187 224 A CA 1.144 52.983 52.037 -0.331 0.000 0.614 224 A CB -0.458 18.385 19.000 -0.261 0.000 0.826 224 A HN 0.194 nan 8.150 nan 0.000 0.442 225 V N 0.440 119.993 119.914 -0.600 0.000 2.323 225 V HA -0.188 3.932 4.120 -0.000 0.000 0.244 225 V C 2.984 178.714 176.094 -0.606 0.000 1.041 225 V CA 2.402 64.330 62.300 -0.620 0.000 1.025 225 V CB -1.261 30.055 31.823 -0.844 0.000 0.656 225 V HN 0.832 nan 8.190 nan 0.000 0.451 226 T N -2.020 112.080 114.554 -0.757 0.000 2.735 226 T HA 0.197 4.547 4.350 -0.000 0.000 0.256 226 T C 1.586 175.481 174.700 -1.342 0.000 1.042 226 T CA 1.266 62.674 62.100 -1.153 0.000 1.147 226 T CB -0.207 67.792 68.868 -1.448 0.000 0.865 226 T HN 1.225 nan 8.240 nan 0.000 0.421 227 G N 0.978 109.153 108.800 -1.041 0.000 2.167 227 G HA2 0.015 3.975 3.960 -0.000 0.000 0.194 227 G HA3 0.015 3.975 3.960 -0.000 0.000 0.194 227 G C -0.416 174.163 174.900 -0.534 0.000 1.027 227 G CA -0.235 44.455 45.100 -0.684 0.000 0.717 227 G HN 1.034 nan 8.290 nan 0.000 0.501 228 W N -1.084 120.007 121.300 -0.349 0.000 3.425 228 W HA 0.782 5.442 4.660 -0.000 0.000 0.318 228 W C -0.561 175.759 176.519 -0.332 0.000 1.201 228 W CA -2.454 54.584 57.345 -0.513 0.000 1.212 228 W CB 0.671 29.593 29.460 -0.896 0.000 1.355 228 W HN 0.038 nan 8.180 nan 0.000 0.515 229 K N 2.822 123.214 120.400 -0.013 0.000 2.382 229 K HA 0.290 4.610 4.320 -0.000 0.000 0.286 229 K C 0.424 177.208 176.600 0.306 0.000 1.062 229 K CA 0.192 56.562 56.287 0.139 0.000 1.000 229 K CB 0.119 32.726 32.500 0.177 0.000 0.954 229 K HN 0.493 nan 8.250 nan 0.000 0.470 230 T N -0.753 113.982 114.554 0.302 0.000 2.909 230 T HA 0.363 4.713 4.350 -0.000 0.000 0.286 230 T C 0.848 175.716 174.700 0.280 0.000 1.002 230 T CA -1.046 61.283 62.100 0.381 0.000 1.074 230 T CB 1.567 70.720 68.868 0.475 0.000 0.984 230 T HN 0.477 nan 8.240 nan 0.000 0.495 231 G N 1.860 110.819 108.800 0.265 0.000 2.852 231 G HA2 0.404 4.364 3.960 -0.000 0.000 0.280 231 G HA3 0.404 4.364 3.960 -0.000 0.000 0.280 231 G C 0.540 175.529 174.900 0.149 0.000 0.731 231 G CA -0.453 44.767 45.100 0.199 0.000 2.037 231 G HN 1.225 nan 8.290 nan 0.000 0.560 232 C N -0.520 118.858 119.300 0.130 0.000 0.168 232 C HA 0.056 4.516 4.460 -0.000 0.000 0.017 232 C C 0.718 175.758 174.990 0.084 0.000 0.171 232 C CA -0.061 59.009 59.018 0.086 0.000 0.499 232 C CB -1.318 26.456 27.740 0.056 0.000 3.212 232 C HN 1.157 nan 8.230 nan 0.000 1.118 233 S N -0.991 114.738 115.700 0.049 0.000 2.552 233 S HA 0.669 5.139 4.470 -0.000 0.000 0.272 233 S C -0.498 174.107 174.600 0.009 0.000 1.150 233 S CA 0.286 58.514 58.200 0.047 0.000 0.849 233 S CB 1.160 64.424 63.200 0.107 0.000 1.113 233 S HN 2.433 nan 8.310 nan 0.000 0.458 234 L N 1.863 123.096 121.223 0.017 0.000 3.865 234 L HA -0.091 4.248 4.340 -0.000 0.000 0.408 234 L C -0.248 176.630 176.870 0.013 0.000 1.209 234 L CA 0.828 55.686 54.840 0.031 0.000 0.940 234 L CB -0.937 41.130 42.059 0.012 0.000 1.971 234 L HN 0.815 nan 8.230 nan 0.000 0.899 235 M N 0.592 120.176 119.600 -0.026 0.000 2.162 235 M HA 0.452 4.932 4.480 -0.000 0.000 0.356 235 M C 1.495 177.779 176.300 -0.027 0.000 1.303 235 M CA 1.110 56.383 55.300 -0.045 0.000 1.116 235 M CB 0.219 32.740 32.600 -0.132 0.000 1.632 235 M HN 0.646 nan 8.290 nan 0.000 0.469 236 G N 4.063 112.870 108.800 0.013 0.000 2.176 236 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.252 236 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.252 236 G C 0.009 174.933 174.900 0.039 0.000 1.024 236 G CA 0.377 45.498 45.100 0.034 0.000 0.755 236 G HN 1.190 nan 8.290 nan 0.000 0.507 237 A N -0.264 122.584 122.820 0.046 0.000 2.309 237 A HA 0.839 5.159 4.320 -0.000 0.000 0.298 237 A C 0.721 178.342 177.584 0.062 0.000 1.165 237 A CA 0.773 52.846 52.037 0.061 0.000 0.821 237 A CB 1.130 20.191 19.000 0.103 0.000 1.102 237 A HN 1.394 nan 8.150 nan 0.000 0.500 238 S N 0.988 116.717 115.700 0.047 0.000 2.600 238 S HA 0.237 4.707 4.470 -0.000 0.000 0.265 238 S C 1.394 176.029 174.600 0.059 0.000 1.325 238 S CA -0.305 57.920 58.200 0.041 0.000 1.002 238 S CB 0.650 63.863 63.200 0.023 0.000 0.921 238 S HN 0.631 nan 8.310 nan 0.000 0.554 239 V N 1.774 121.720 119.914 0.052 0.000 2.379 239 V HA -0.035 4.085 4.120 -0.000 0.000 0.245 239 V C 1.331 177.460 176.094 0.059 0.000 1.044 239 V CA 1.549 63.888 62.300 0.065 0.000 1.036 239 V CB -0.479 31.371 31.823 0.046 0.000 0.664 239 V HN 0.819 nan 8.190 nan 0.000 0.453 240 D N 1.047 121.465 120.400 0.029 0.000 2.688 240 D HA 0.214 4.854 4.640 -0.000 0.000 0.228 240 D C -0.110 176.177 176.300 -0.022 0.000 1.116 240 D CA 0.357 54.363 54.000 0.010 0.000 1.023 240 D CB -0.037 40.766 40.800 0.005 0.000 1.100 240 D HN 0.344 nan 8.370 nan 0.000 0.487 241 S N -0.792 114.880 115.700 -0.047 0.000 2.704 241 S HA 0.568 5.038 4.470 -0.000 0.000 0.296 241 S C 0.989 175.411 174.600 -0.297 0.000 1.138 241 S CA -0.549 57.555 58.200 -0.160 0.000 0.875 241 S CB 2.062 65.151 63.200 -0.185 0.000 1.151 241 S HN 0.431 nan 8.310 nan 0.000 0.500 242 T N -1.843 112.458 114.554 -0.422 0.000 3.388 242 T HA 0.325 4.675 4.350 -0.000 0.000 0.254 242 T C 0.198 174.527 174.700 -0.619 0.000 1.002 242 T CA -0.229 61.599 62.100 -0.454 0.000 1.164 242 T CB -0.284 68.463 68.868 -0.201 0.000 1.184 242 T HN 0.374 nan 8.240 nan 0.000 0.399 243 L N 2.553 123.556 121.223 -0.366 0.000 2.375 243 L HA 0.738 5.077 4.340 -0.000 0.000 0.271 243 L C -0.913 175.859 176.870 -0.164 0.000 1.107 243 L CA -0.334 54.387 54.840 -0.198 0.000 0.806 243 L CB 0.940 42.945 42.059 -0.090 0.000 1.146 243 L HN 0.616 nan 8.230 nan 0.000 0.447 244 A N 5.237 128.099 122.820 0.070 0.000 3.007 244 A HA 0.259 4.579 4.320 -0.000 0.000 0.314 244 A C -1.004 176.775 177.584 0.326 0.000 1.153 244 A CA -0.456 51.714 52.037 0.221 0.000 0.780 244 A CB -0.192 19.056 19.000 0.413 0.000 1.258 244 A HN 0.604 nan 8.150 nan 0.000 0.460 245 F N 2.568 122.588 119.950 0.117 0.000 2.464 245 F HA 0.371 4.898 4.527 -0.000 0.000 0.353 245 F C -0.267 175.618 175.800 0.141 0.000 1.191 245 F CA 0.039 58.115 58.000 0.127 0.000 1.147 245 F CB 0.238 39.282 39.000 0.073 0.000 1.294 245 F HN 0.470 nan 8.300 nan 0.000 0.583 246 N N 3.236 122.016 118.700 0.132 0.000 2.446 246 N HA 0.251 4.991 4.740 -0.000 0.000 0.265 246 N C -0.758 174.823 175.510 0.118 0.000 0.975 246 N CA -0.498 52.648 53.050 0.160 0.000 0.928 246 N CB 1.601 40.282 38.487 0.322 0.000 1.160 246 N HN 0.290 nan 8.380 nan 0.000 0.495 247 T N 2.154 116.746 114.554 0.063 0.000 2.817 247 T HA 0.303 4.653 4.350 -0.000 0.000 0.293 247 T C -0.528 174.181 174.700 0.016 0.000 0.964 247 T CA 0.118 62.299 62.100 0.134 0.000 1.085 247 T CB 0.158 69.154 68.868 0.213 0.000 0.921 247 T HN 0.253 nan 8.240 nan 0.000 0.502 248 Y N 1.546 121.952 120.300 0.177 0.000 2.326 248 Y HA 0.565 5.115 4.550 -0.000 0.000 0.331 248 Y C 0.028 176.097 175.900 0.281 0.000 0.962 248 Y CA -0.900 57.350 58.100 0.250 0.000 1.167 248 Y CB 1.586 40.225 38.460 0.298 0.000 1.148 248 Y HN 0.401 nan 8.280 nan 0.000 0.463 249 V N 4.021 124.164 119.914 0.381 0.000 2.715 249 V HA 0.556 4.676 4.120 -0.000 0.000 0.310 249 V C -1.584 174.672 176.094 0.270 0.000 1.054 249 V CA -0.564 61.941 62.300 0.342 0.000 0.928 249 V CB 1.923 33.961 31.823 0.360 0.000 1.007 249 V HN 0.876 nan 8.190 nan 0.000 0.437 250 H N 4.928 123.983 119.070 -0.025 0.000 2.924 250 H HA 0.510 5.066 4.556 -0.000 0.000 0.333 250 H C -1.984 173.247 175.328 -0.162 0.000 0.979 250 H CA -0.496 55.339 56.048 -0.355 0.000 1.326 250 H CB 1.473 30.363 29.762 -1.454 0.000 1.600 250 H HN 0.620 nan 8.280 nan 0.000 0.520 251 F N 4.790 124.287 119.950 -0.754 0.000 2.411 251 F HA 0.361 4.888 4.527 -0.000 0.000 0.352 251 F C -0.623 174.587 175.800 -0.983 0.000 1.123 251 F CA -0.422 57.119 58.000 -0.765 0.000 1.044 251 F CB 1.371 39.826 39.000 -0.909 0.000 1.135 251 F HN 0.624 nan 8.300 nan 0.000 0.461 252 Q N 3.949 122.977 119.800 -1.287 0.000 2.282 252 Q HA 0.618 4.958 4.340 -0.000 0.000 0.260 252 Q C -0.752 174.481 176.000 -1.278 0.000 0.964 252 Q CA -0.821 54.413 55.803 -0.950 0.000 0.880 252 Q CB 1.791 30.220 28.738 -0.515 0.000 1.286 252 Q HN 0.961 nan 8.270 nan 0.000 0.445 253 G N 3.756 112.076 108.800 -0.801 0.000 3.329 253 G HA2 0.243 4.203 3.960 -0.000 0.000 0.313 253 G HA3 0.243 4.203 3.960 -0.000 0.000 0.313 253 G C -1.023 173.705 174.900 -0.286 0.000 1.611 253 G CA -0.504 44.195 45.100 -0.668 0.000 0.991 253 G HN 0.478 nan 8.290 nan 0.000 0.508 254 K N 1.742 122.001 120.400 -0.234 0.000 2.276 254 K HA 0.430 4.750 4.320 -0.000 0.000 0.283 254 K C 0.095 176.773 176.600 0.129 0.000 1.044 254 K CA 0.107 56.364 56.287 -0.049 0.000 0.944 254 K CB 1.450 33.920 32.500 -0.049 0.000 1.012 254 K HN 0.363 nan 8.250 nan 0.000 0.472 255 M N 3.244 122.892 119.600 0.079 0.000 2.072 255 M HA 0.263 4.743 4.480 -0.000 0.000 0.331 255 M C -0.355 176.105 176.300 0.268 0.000 1.004 255 M CA -0.555 54.788 55.300 0.071 0.000 0.952 255 M CB 1.452 33.745 32.600 -0.511 0.000 1.511 255 M HN 0.241 nan 8.290 nan 0.000 0.422 256 K N 1.368 121.948 120.400 0.300 0.000 2.326 256 K HA 0.376 4.696 4.320 -0.000 0.000 0.275 256 K C 0.940 177.768 176.600 0.379 0.000 1.018 256 K CA 0.480 56.937 56.287 0.283 0.000 0.962 256 K CB 0.827 33.438 32.500 0.185 0.000 0.953 256 K HN 0.999 nan 8.250 nan 0.000 0.475 257 G N 2.383 111.316 108.800 0.222 0.000 2.171 257 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.238 257 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.238 257 G C -0.534 174.237 174.900 -0.215 0.000 1.039 257 G CA -0.356 44.757 45.100 0.022 0.000 0.759 257 G HN 0.465 nan 8.290 nan 0.000 0.501 258 F N -0.315 119.667 119.950 0.052 0.000 2.613 258 F HA 0.787 5.314 4.527 -0.000 0.000 0.314 258 F C 0.355 176.171 175.800 0.027 0.000 1.075 258 F CA -0.753 57.267 58.000 0.033 0.000 0.945 258 F CB 2.540 41.555 39.000 0.025 0.000 1.310 258 F HN 0.092 nan 8.300 nan 0.000 0.467 259 S N 2.114 117.937 115.700 0.203 0.000 2.533 259 S HA 0.411 4.881 4.470 -0.000 0.000 0.271 259 S C -1.816 172.847 174.600 0.106 0.000 1.143 259 S CA -0.632 57.640 58.200 0.120 0.000 0.891 259 S CB 2.074 65.316 63.200 0.070 0.000 1.105 259 S HN 0.560 nan 8.310 nan 0.000 0.468 260 L N 3.870 125.140 121.223 0.079 0.000 2.380 260 L HA 0.501 4.840 4.340 -0.000 0.000 0.273 260 L C -1.164 175.738 176.870 0.053 0.000 1.138 260 L CA -0.193 54.685 54.840 0.063 0.000 0.832 260 L CB 0.147 42.234 42.059 0.048 0.000 1.124 260 L HN 0.670 nan 8.230 nan 0.000 0.454 261 L N 5.463 126.718 121.223 0.052 0.000 2.289 261 L HA 0.349 4.689 4.340 -0.000 0.000 0.285 261 L C 1.334 178.224 176.870 0.034 0.000 1.049 261 L CA -0.453 54.413 54.840 0.043 0.000 0.804 261 L CB 1.361 43.447 42.059 0.045 0.000 1.195 261 L HN 0.789 nan 8.230 nan 0.000 0.428 262 A N 2.240 125.076 122.820 0.026 0.000 2.014 262 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 262 A C 0.761 178.355 177.584 0.016 0.000 1.163 262 A CA 0.829 52.878 52.037 0.020 0.000 0.652 262 A CB -0.096 18.914 19.000 0.017 0.000 0.808 262 A HN 0.704 nan 8.150 nan 0.000 0.449 263 E N 1.314 121.524 120.200 0.015 0.000 2.146 263 E HA 0.342 4.692 4.350 -0.000 0.000 0.282 263 E C -2.665 173.940 176.600 0.008 0.000 0.989 263 E CA -2.213 54.192 56.400 0.008 0.000 0.799 263 E CB 0.852 30.555 29.700 0.004 0.000 1.088 263 E HN 0.295 nan 8.360 nan 0.000 0.397 264 P HA 0.118 nan 4.420 nan 0.000 0.286 264 P C 0.191 177.466 177.300 -0.042 0.000 1.269 264 P CA -0.288 62.813 63.100 0.002 0.000 0.787 264 P CB 1.435 33.136 31.700 0.003 0.000 0.920 265 Q N 3.127 122.884 119.800 -0.071 0.000 2.331 265 Q HA -0.043 4.297 4.340 -0.000 0.000 0.203 265 Q C 0.228 176.038 176.000 -0.316 0.000 0.944 265 Q CA 1.042 56.742 55.803 -0.172 0.000 0.892 265 Q CB -0.300 28.309 28.738 -0.214 0.000 0.983 265 Q HN 0.716 nan 8.270 nan 0.000 0.482 266 E N -2.806 117.213 120.200 -0.303 0.000 8.710 266 E HA -0.216 4.134 4.350 -0.000 0.000 0.468 266 E C -1.460 174.685 176.600 -0.760 0.000 1.162 266 E CA 0.562 56.746 56.400 -0.359 0.000 2.026 266 E CB -1.302 28.146 29.700 -0.419 0.000 1.008 266 E HN 0.124 nan 8.360 nan 0.000 0.263 267 F N -0.043 119.595 119.950 -0.521 0.000 2.629 267 F HA 0.638 5.165 4.527 -0.000 0.000 0.316 267 F C -0.376 175.122 175.800 -0.503 0.000 1.081 267 F CA -0.637 57.141 58.000 -0.369 0.000 0.954 267 F CB 1.570 40.523 39.000 -0.078 0.000 1.337 267 F HN 0.333 nan 8.300 nan 0.000 0.474 268 W N 2.474 123.892 121.300 0.196 0.000 2.338 268 W HA 0.330 4.990 4.660 -0.000 0.000 0.315 268 W C 0.598 177.180 176.519 0.105 0.000 1.005 268 W CA -0.566 56.844 57.345 0.109 0.000 1.380 268 W CB 1.479 30.975 29.460 0.060 0.000 1.235 268 W HN 0.365 nan 8.180 nan 0.000 0.409 269 V N 2.811 122.855 119.914 0.217 0.000 2.594 269 V HA -0.206 3.914 4.120 -0.000 0.000 0.253 269 V C 0.256 176.432 176.094 0.138 0.000 1.069 269 V CA 2.338 64.718 62.300 0.134 0.000 1.082 269 V CB -0.227 31.629 31.823 0.054 0.000 0.680 269 V HN 0.648 nan 8.190 nan 0.000 0.469 270 D N -3.027 117.478 120.400 0.175 0.000 2.583 270 D HA 0.201 4.841 4.640 -0.000 0.000 0.248 270 D C 0.753 177.163 176.300 0.183 0.000 1.209 270 D CA -0.127 53.961 54.000 0.147 0.000 0.848 270 D CB 0.172 41.031 40.800 0.098 0.000 1.431 270 D HN 0.007 nan 8.370 nan 0.000 0.436 271 N N 0.530 119.295 118.700 0.109 0.000 2.184 271 N HA -0.297 4.443 4.740 -0.000 0.000 0.190 271 N C 1.212 176.783 175.510 0.102 0.000 1.011 271 N CA 2.322 55.406 53.050 0.056 0.000 0.867 271 N CB -0.761 37.735 38.487 0.014 0.000 0.993 271 N HN 0.492 nan 8.380 nan 0.000 0.433 272 S N -0.461 115.313 115.700 0.124 0.000 2.371 272 S HA -0.014 4.456 4.470 -0.000 0.000 0.219 272 S C 1.196 175.905 174.600 0.182 0.000 1.040 272 S CA 0.571 58.846 58.200 0.125 0.000 0.958 272 S CB -1.199 62.051 63.200 0.084 0.000 0.860 272 S HN 0.566 nan 8.310 nan 0.000 0.487 273 T N 1.790 116.447 114.554 0.171 0.000 2.904 273 T HA 0.623 4.973 4.350 -0.000 0.000 0.290 273 T C -0.014 174.770 174.700 0.139 0.000 1.018 273 T CA -0.297 61.881 62.100 0.130 0.000 1.075 273 T CB 1.293 70.208 68.868 0.078 0.000 0.986 273 T HN 0.596 nan 8.240 nan 0.000 0.523 274 S N 0.213 115.907 115.700 -0.010 0.000 2.634 274 S HA 0.797 5.267 4.470 -0.000 0.000 0.296 274 S C -1.080 173.410 174.600 -0.183 0.000 1.104 274 S CA -0.872 57.174 58.200 -0.256 0.000 0.920 274 S CB 1.616 64.610 63.200 -0.343 0.000 1.111 274 S HN 0.842 nan 8.310 nan 0.000 0.493 275 V N 1.147 120.917 119.914 -0.240 0.000 2.733 275 V HA 0.559 4.679 4.120 -0.000 0.000 0.306 275 V C -0.117 175.913 176.094 -0.105 0.000 1.084 275 V CA -0.760 61.471 62.300 -0.116 0.000 0.905 275 V CB 1.866 33.659 31.823 -0.051 0.000 1.010 275 V HN 1.015 nan 8.190 nan 0.000 0.424 276 S N 3.579 119.236 115.700 -0.071 0.000 2.455 276 S HA 0.645 5.115 4.470 -0.000 0.000 0.278 276 S C -0.611 173.991 174.600 0.004 0.000 1.216 276 S CA -0.095 58.078 58.200 -0.045 0.000 1.055 276 S CB 0.223 63.400 63.200 -0.039 0.000 0.939 276 S HN 0.594 nan 8.310 nan 0.000 0.494 277 V N 7.574 127.523 119.914 0.060 0.000 3.120 277 V HA 0.547 4.667 4.120 -0.000 0.000 0.303 277 V C -2.127 174.055 176.094 0.146 0.000 1.238 277 V CA -1.656 60.702 62.300 0.098 0.000 1.008 277 V CB 2.571 34.463 31.823 0.114 0.000 1.064 277 V HN 0.720 nan 8.190 nan 0.000 0.434 278 P HA 0.382 nan 4.420 nan 0.000 0.282 278 P C -0.957 176.446 177.300 0.172 0.000 1.286 278 P CA -0.228 62.930 63.100 0.096 0.000 0.777 278 P CB 0.822 32.549 31.700 0.044 0.000 1.184 279 M N -1.187 118.490 119.600 0.128 0.000 2.683 279 M HA 0.437 4.917 4.480 -0.000 0.000 0.274 279 M C -1.353 175.008 176.300 0.101 0.000 1.272 279 M CA -0.644 54.747 55.300 0.152 0.000 0.833 279 M CB 1.872 34.554 32.600 0.138 0.000 1.708 279 M HN 0.198 nan 8.290 nan 0.000 0.463 280 L N 1.560 122.848 121.223 0.109 0.000 2.518 280 L HA 0.325 4.665 4.340 -0.000 0.000 0.262 280 L C -0.117 176.853 176.870 0.167 0.000 0.982 280 L CA -0.559 54.364 54.840 0.139 0.000 0.873 280 L CB 1.892 44.024 42.059 0.121 0.000 1.198 280 L HN 0.791 nan 8.230 nan 0.000 0.427 281 S N 1.066 116.828 115.700 0.104 0.000 2.548 281 S HA 0.720 5.190 4.470 -0.000 0.000 0.277 281 S C 0.219 174.728 174.600 -0.151 0.000 1.315 281 S CA -0.356 57.828 58.200 -0.027 0.000 1.050 281 S CB 1.646 64.852 63.200 0.010 0.000 0.918 281 S HN 0.670 nan 8.310 nan 0.000 0.497 282 G N 2.881 111.440 108.800 -0.402 0.000 2.707 282 G HA2 0.575 4.535 3.960 -0.000 0.000 0.299 282 G HA3 0.575 4.535 3.960 -0.000 0.000 0.299 282 G C -0.836 173.798 174.900 -0.443 0.000 1.442 282 G CA -0.895 43.698 45.100 -0.845 0.000 1.009 282 G HN 0.568 nan 8.290 nan 0.000 0.515 283 M N 1.892 121.273 119.600 -0.365 0.000 2.125 283 M HA 0.758 5.238 4.480 -0.000 0.000 0.321 283 M C 0.219 176.394 176.300 -0.210 0.000 0.983 283 M CA -1.310 53.896 55.300 -0.157 0.000 0.934 283 M CB 0.639 33.182 32.600 -0.096 0.000 1.542 283 M HN 0.922 nan 8.290 nan 0.000 0.424 284 G N 1.379 109.992 108.800 -0.312 0.000 2.377 284 G HA2 0.409 4.369 3.960 -0.000 0.000 0.297 284 G HA3 0.409 4.369 3.960 -0.000 0.000 0.297 284 G C -1.181 173.139 174.900 -0.967 0.000 1.547 284 G CA -0.809 43.869 45.100 -0.703 0.000 0.833 284 G HN 0.697 nan 8.290 nan 0.000 0.583 285 T N -0.110 114.000 114.554 -0.739 0.000 2.997 285 T HA 0.671 5.021 4.350 -0.000 0.000 0.311 285 T C -0.119 174.320 174.700 -0.434 0.000 1.079 285 T CA -0.435 61.400 62.100 -0.442 0.000 0.982 285 T CB -0.520 68.228 68.868 -0.199 0.000 1.032 285 T HN 0.338 nan 8.240 nan 0.000 0.581 286 F N 0.845 120.836 119.950 0.067 0.000 2.461 286 F HA 0.610 5.137 4.527 -0.000 0.000 0.337 286 F C 0.799 176.685 175.800 0.144 0.000 1.079 286 F CA -1.580 56.474 58.000 0.090 0.000 1.032 286 F CB 0.930 39.975 39.000 0.075 0.000 1.327 286 F HN 0.237 nan 8.300 nan 0.000 0.491 287 Q N 0.356 120.401 119.800 0.408 0.000 2.241 287 Q HA 0.381 4.721 4.340 -0.000 0.000 0.254 287 Q C -0.884 175.404 176.000 0.480 0.000 0.917 287 Q CA -0.403 55.658 55.803 0.430 0.000 0.919 287 Q CB 1.260 30.274 28.738 0.460 0.000 1.237 287 Q HN 0.576 nan 8.270 nan 0.000 0.434 288 H N 1.606 120.932 119.070 0.426 0.000 3.151 288 H HA 0.397 4.953 4.556 -0.000 0.000 0.333 288 H C -2.127 173.430 175.328 0.382 0.000 1.093 288 H CA -0.862 55.282 56.048 0.160 0.000 1.342 288 H CB 0.822 30.633 29.762 0.082 0.000 1.983 288 H HN 0.825 nan 8.280 nan 0.000 0.503 289 W N 3.424 124.553 121.300 -0.286 0.000 3.259 289 W HA 0.542 5.202 4.660 -0.000 0.000 0.331 289 W C -1.586 174.865 176.519 -0.114 0.000 1.144 289 W CA -1.039 56.130 57.345 -0.294 0.000 1.227 289 W CB 0.856 30.247 29.460 -0.114 0.000 1.371 289 W HN 0.571 nan 8.180 nan 0.000 0.491 290 S N 1.544 117.249 115.700 0.008 0.000 2.438 290 S HA 0.271 4.741 4.470 -0.000 0.000 0.316 290 S C -0.782 173.923 174.600 0.175 0.000 1.084 290 S CA -0.580 57.711 58.200 0.152 0.000 1.107 290 S CB 1.440 64.795 63.200 0.258 0.000 0.981 290 S HN 0.515 nan 8.310 nan 0.000 0.466 291 D N 2.448 122.981 120.400 0.221 0.000 2.339 291 D HA 0.200 4.840 4.640 -0.000 0.000 0.256 291 D C 1.006 177.364 176.300 0.096 0.000 1.214 291 D CA -0.767 53.334 54.000 0.168 0.000 0.877 291 D CB 0.425 41.314 40.800 0.147 0.000 1.111 291 D HN 0.511 nan 8.370 nan 0.000 0.478 292 I N 1.297 121.891 120.570 0.041 0.000 3.578 292 I HA 0.017 4.187 4.170 -0.000 0.000 0.295 292 I C 1.616 177.742 176.117 0.015 0.000 1.280 292 I CA 0.369 61.657 61.300 -0.019 0.000 1.347 292 I CB -0.510 37.480 38.000 -0.017 0.000 1.051 292 I HN 0.286 nan 8.210 nan 0.000 0.460 293 Q N 1.529 121.353 119.800 0.041 0.000 1.990 293 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 293 Q C 0.824 176.851 176.000 0.044 0.000 0.980 293 Q CA 1.711 57.535 55.803 0.036 0.000 0.832 293 Q CB -0.226 28.534 28.738 0.035 0.000 0.897 293 Q HN 0.579 nan 8.270 nan 0.000 0.427 294 D N 0.036 120.480 120.400 0.072 0.000 2.368 294 D HA 0.087 4.727 4.640 -0.000 0.000 0.218 294 D C -0.700 175.707 176.300 0.178 0.000 1.112 294 D CA -0.167 53.897 54.000 0.108 0.000 0.834 294 D CB -0.149 40.716 40.800 0.109 0.000 0.953 294 D HN 0.106 nan 8.370 nan 0.000 0.505 295 N N 0.457 119.236 118.700 0.133 0.000 2.482 295 N HA -0.224 4.516 4.740 -0.000 0.000 0.288 295 N C -1.181 174.502 175.510 0.288 0.000 1.319 295 N CA 0.519 53.632 53.050 0.105 0.000 0.671 295 N CB -0.994 37.592 38.487 0.165 0.000 0.911 295 N HN 0.197 nan 8.380 nan 0.000 0.531 296 F N 0.295 120.295 119.950 0.083 0.000 2.675 296 F HA 0.808 5.335 4.527 -0.000 0.000 0.324 296 F C -0.501 175.469 175.800 0.283 0.000 1.106 296 F CA -0.135 57.968 58.000 0.172 0.000 0.970 296 F CB 1.955 41.013 39.000 0.097 0.000 1.385 296 F HN 0.256 nan 8.300 nan 0.000 0.489 297 S N 1.283 117.089 115.700 0.177 0.000 2.581 297 S HA 0.608 5.077 4.470 -0.000 0.000 0.306 297 S C -2.178 172.452 174.600 0.049 0.000 1.080 297 S CA -0.888 57.444 58.200 0.220 0.000 0.925 297 S CB 0.647 63.992 63.200 0.242 0.000 1.128 297 S HN 0.515 nan 8.310 nan 0.000 0.451 298 V N 2.737 122.693 119.914 0.070 0.000 2.569 298 V HA 0.776 4.896 4.120 -0.000 0.000 0.301 298 V C 0.335 176.359 176.094 -0.117 0.000 1.044 298 V CA -0.165 62.091 62.300 -0.073 0.000 0.874 298 V CB 1.721 33.479 31.823 -0.108 0.000 1.002 298 V HN 1.152 nan 8.190 nan 0.000 0.424 299 T N 2.075 116.529 114.554 -0.166 0.000 2.948 299 T HA 0.879 5.228 4.350 -0.000 0.000 0.285 299 T C -0.610 174.003 174.700 -0.145 0.000 1.019 299 T CA -0.726 61.277 62.100 -0.162 0.000 1.013 299 T CB 2.150 70.860 68.868 -0.262 0.000 1.117 299 T HN 0.808 nan 8.240 nan 0.000 0.533 300 Q N -0.710 119.006 119.800 -0.140 0.000 2.501 300 Q HA 0.722 5.062 4.340 -0.000 0.000 0.288 300 Q C -1.758 174.013 176.000 -0.382 0.000 1.051 300 Q CA -1.320 54.381 55.803 -0.171 0.000 0.788 300 Q CB 2.269 30.985 28.738 -0.037 0.000 1.469 300 Q HN 0.577 nan 8.270 nan 0.000 0.416 301 V N 1.699 121.375 119.914 -0.397 0.000 2.467 301 V HA 0.376 4.496 4.120 -0.000 0.000 0.260 301 V C -2.689 173.086 176.094 -0.532 0.000 0.963 301 V CA -1.841 60.162 62.300 -0.495 0.000 0.856 301 V CB 1.062 32.554 31.823 -0.552 0.000 1.087 301 V HN 0.655 nan 8.190 nan 0.000 0.467 302 P HA 0.113 nan 4.420 nan 0.000 0.266 302 P C -0.921 176.137 177.300 -0.405 0.000 1.186 302 P CA 0.539 63.475 63.100 -0.273 0.000 0.767 302 P CB 0.139 31.837 31.700 -0.004 0.000 0.820 303 F N 1.137 121.142 119.950 0.092 0.000 2.310 303 F HA 0.260 4.787 4.527 -0.000 0.000 0.365 303 F C 0.957 176.793 175.800 0.060 0.000 1.080 303 F CA -0.237 57.803 58.000 0.067 0.000 1.187 303 F CB -0.519 38.513 39.000 0.054 0.000 1.465 303 F HN 0.448 nan 8.300 nan 0.000 0.496 304 T N -1.193 113.469 114.554 0.180 0.000 4.252 304 T HA -0.359 3.991 4.350 -0.000 0.000 0.331 304 T C 0.875 175.640 174.700 0.107 0.000 0.771 304 T CA 1.264 63.439 62.100 0.125 0.000 1.939 304 T CB -2.064 66.871 68.868 0.110 0.000 1.907 304 T HN 0.914 nan 8.240 nan 0.000 0.892 305 E N -0.469 119.795 120.200 0.106 0.000 4.711 305 E HA -0.437 3.913 4.350 -0.000 0.000 0.183 305 E C 1.329 177.992 176.600 0.106 0.000 1.334 305 E CA 2.599 59.059 56.400 0.101 0.000 2.263 305 E CB -1.676 28.076 29.700 0.085 0.000 1.886 305 E HN 0.909 nan 8.360 nan 0.000 0.347 306 S N 0.405 116.158 115.700 0.088 0.000 2.426 306 S HA -0.263 4.207 4.470 -0.000 0.000 0.259 306 S C 0.726 175.369 174.600 0.072 0.000 1.096 306 S CA 2.183 60.422 58.200 0.064 0.000 1.219 306 S CB -0.342 62.893 63.200 0.057 0.000 1.124 306 S HN 0.675 nan 8.310 nan 0.000 0.436 307 A N -0.647 122.261 122.820 0.148 0.000 2.306 307 A HA 0.624 4.944 4.320 -0.000 0.000 0.314 307 A C -0.490 177.278 177.584 0.307 0.000 1.164 307 A CA -0.380 51.801 52.037 0.240 0.000 0.822 307 A CB 0.859 20.049 19.000 0.316 0.000 1.130 307 A HN 0.573 nan 8.150 nan 0.000 0.496 308 C N 2.300 121.786 119.300 0.310 0.000 2.607 308 C HA 0.442 4.902 4.460 -0.000 0.000 0.350 308 C C -0.619 174.507 174.990 0.227 0.000 1.101 308 C CA -0.551 58.570 59.018 0.172 0.000 1.282 308 C CB 0.897 28.753 27.740 0.194 0.000 1.825 308 C HN 0.893 nan 8.230 nan 0.000 0.460 309 L N 5.381 126.642 121.223 0.063 0.000 2.295 309 L HA 0.523 4.863 4.340 -0.000 0.000 0.288 309 L C -0.525 176.393 176.870 0.080 0.000 1.079 309 L CA 0.331 55.282 54.840 0.184 0.000 0.830 309 L CB -0.064 42.110 42.059 0.191 0.000 1.200 309 L HN 0.554 nan 8.230 nan 0.000 0.438 310 L N 6.346 127.651 121.223 0.137 0.000 2.265 310 L HA 0.346 4.686 4.340 -0.000 0.000 0.288 310 L C -0.700 176.241 176.870 0.117 0.000 1.058 310 L CA -0.660 54.227 54.840 0.078 0.000 0.809 310 L CB 1.002 43.102 42.059 0.069 0.000 1.179 310 L HN 0.472 nan 8.230 nan 0.000 0.429 311 L N 5.394 126.651 121.223 0.057 0.000 2.283 311 L HA 0.363 4.703 4.340 -0.000 0.000 0.281 311 L C -0.207 176.702 176.870 0.066 0.000 1.033 311 L CA -0.092 54.813 54.840 0.109 0.000 0.848 311 L CB 0.958 43.004 42.059 -0.023 0.000 1.226 311 L HN 0.398 nan 8.230 nan 0.000 0.429 312 I N 2.926 123.578 120.570 0.137 0.000 2.363 312 I HA 0.163 4.333 4.170 -0.000 0.000 0.292 312 I C 0.442 176.554 176.117 -0.009 0.000 1.075 312 I CA 0.397 61.721 61.300 0.041 0.000 1.333 312 I CB 0.449 38.502 38.000 0.090 0.000 1.415 312 I HN 0.586 nan 8.210 nan 0.000 0.502 313 Q N 8.917 128.634 119.800 -0.139 0.000 2.290 313 Q HA 0.421 4.761 4.340 -0.000 0.000 0.259 313 Q C -2.419 173.435 176.000 -0.243 0.000 0.941 313 Q CA -2.014 53.712 55.803 -0.127 0.000 0.912 313 Q CB 1.675 30.327 28.738 -0.143 0.000 1.244 313 Q HN 0.286 nan 8.270 nan 0.000 0.441 314 P HA 0.041 nan 4.420 nan 0.000 0.282 314 P C -0.293 177.006 177.300 -0.001 0.000 1.274 314 P CA 0.150 63.181 63.100 -0.115 0.000 0.770 314 P CB 1.006 32.703 31.700 -0.005 0.000 0.867 315 H N 3.434 122.490 119.070 -0.023 0.000 2.289 315 H HA -0.200 4.355 4.556 -0.000 0.000 0.296 315 H C 1.145 176.490 175.328 0.029 0.000 1.091 315 H CA 2.319 58.387 56.048 0.034 0.000 1.274 315 H CB -0.336 29.501 29.762 0.125 0.000 1.364 315 H HN 0.440 nan 8.280 nan 0.000 0.490 316 Y N -1.297 119.084 120.300 0.134 0.000 2.314 316 Y HA 0.123 4.672 4.550 -0.000 0.000 0.294 316 Y C 1.918 177.837 175.900 0.031 0.000 1.119 316 Y CA 0.737 58.880 58.100 0.072 0.000 1.179 316 Y CB 0.249 38.757 38.460 0.080 0.000 1.025 316 Y HN 0.403 nan 8.280 nan 0.000 0.541 317 A N -0.590 122.338 122.820 0.180 0.000 2.899 317 A HA -0.312 4.008 4.320 -0.000 0.000 0.257 317 A C 1.700 179.358 177.584 0.123 0.000 1.335 317 A CA 1.072 53.177 52.037 0.114 0.000 0.924 317 A CB -2.289 16.753 19.000 0.069 0.000 1.105 317 A HN 0.406 nan 8.150 nan 0.000 0.765 318 S N -0.517 115.277 115.700 0.158 0.000 2.341 318 S HA 0.092 4.562 4.470 -0.000 0.000 0.216 318 S C 0.349 175.006 174.600 0.096 0.000 1.034 318 S CA 1.141 59.414 58.200 0.122 0.000 0.964 318 S CB -0.020 63.256 63.200 0.127 0.000 0.882 318 S HN 0.582 nan 8.310 nan 0.000 0.469 319 D N 1.604 122.061 120.400 0.096 0.000 2.460 319 D HA 0.334 4.974 4.640 -0.000 0.000 0.232 319 D C 0.723 177.092 176.300 0.114 0.000 1.079 319 D CA -0.166 53.889 54.000 0.092 0.000 0.864 319 D CB 1.330 42.173 40.800 0.072 0.000 1.048 319 D HN 0.254 nan 8.370 nan 0.000 0.523 320 L N 0.604 121.901 121.223 0.123 0.000 2.049 320 L HA -0.075 4.265 4.340 -0.000 0.000 0.203 320 L C 1.432 178.425 176.870 0.206 0.000 1.074 320 L CA 0.678 55.606 54.840 0.147 0.000 0.749 320 L CB -0.116 42.017 42.059 0.124 0.000 0.907 320 L HN 0.150 nan 8.230 nan 0.000 0.439 321 D N 0.922 121.457 120.400 0.224 0.000 2.220 321 D HA -0.208 4.432 4.640 -0.000 0.000 0.198 321 D C 2.121 178.545 176.300 0.208 0.000 1.001 321 D CA 1.426 55.579 54.000 0.255 0.000 0.875 321 D CB -0.068 40.851 40.800 0.200 0.000 0.921 321 D HN 0.352 nan 8.370 nan 0.000 0.454 322 K N -0.057 120.441 120.400 0.164 0.000 2.044 322 K HA 0.009 4.329 4.320 -0.000 0.000 0.204 322 K C 2.233 178.940 176.600 0.178 0.000 1.049 322 K CA 0.464 56.838 56.287 0.145 0.000 0.945 322 K CB 0.026 32.590 32.500 0.106 0.000 0.724 322 K HN -0.013 nan 8.250 nan 0.000 0.440 323 V N 2.044 122.075 119.914 0.195 0.000 2.323 323 V HA -0.191 3.929 4.120 -0.000 0.000 0.244 323 V C 2.416 178.688 176.094 0.298 0.000 1.041 323 V CA 1.633 64.088 62.300 0.258 0.000 1.025 323 V CB -0.368 31.562 31.823 0.178 0.000 0.656 323 V HN 0.379 nan 8.190 nan 0.000 0.451 324 E N 1.092 121.446 120.200 0.256 0.000 2.160 324 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 324 E C 2.233 178.953 176.600 0.200 0.000 0.991 324 E CA 1.548 58.121 56.400 0.288 0.000 0.810 324 E CB -0.441 29.489 29.700 0.384 0.000 0.742 324 E HN 0.563 nan 8.360 nan 0.000 0.466 325 G N 1.337 110.232 108.800 0.159 0.000 2.450 325 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 325 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 325 G C 1.599 176.508 174.900 0.014 0.000 1.130 325 G CA 0.695 45.824 45.100 0.047 0.000 0.760 325 G HN 0.305 nan 8.290 nan 0.000 0.557 326 L N 1.504 122.793 121.223 0.110 0.000 2.645 326 L HA 0.137 4.477 4.340 -0.000 0.000 0.235 326 L C 2.288 179.187 176.870 0.048 0.000 1.150 326 L CA 0.967 55.837 54.840 0.052 0.000 0.911 326 L CB -0.125 41.968 42.059 0.056 0.000 1.077 326 L HN 0.355 nan 8.230 nan 0.000 0.438 327 T N -5.147 109.485 114.554 0.130 0.000 3.044 327 T HA 0.164 4.514 4.350 -0.000 0.000 0.260 327 T C 0.659 175.303 174.700 -0.093 0.000 1.019 327 T CA -0.033 62.119 62.100 0.087 0.000 0.921 327 T CB -0.097 68.892 68.868 0.201 0.000 1.053 327 T HN 0.167 nan 8.240 nan 0.000 0.533 328 F N 0.785 120.577 119.950 -0.263 0.000 2.775 328 F HA 0.461 4.988 4.527 -0.000 0.000 0.313 328 F C 0.689 176.239 175.800 -0.417 0.000 1.121 328 F CA -1.050 56.823 58.000 -0.210 0.000 1.206 328 F CB 0.941 39.649 39.000 -0.487 0.000 1.052 328 F HN 0.112 nan 8.300 nan 0.000 0.524 329 Q N 2.204 121.796 119.800 -0.347 0.000 2.472 329 Q HA 0.436 4.776 4.340 -0.000 0.000 0.227 329 Q C 0.812 176.490 176.000 -0.536 0.000 1.156 329 Q CA 0.803 56.420 55.803 -0.310 0.000 0.924 329 Q CB 0.088 28.728 28.738 -0.163 0.000 1.354 329 Q HN 0.516 nan 8.270 nan 0.000 0.525 330 Q N 2.531 121.950 119.800 -0.635 0.000 2.390 330 Q HA -0.398 3.942 4.340 -0.000 0.000 0.453 330 Q C 0.912 176.722 176.000 -0.316 0.000 0.629 330 Q CA 2.457 58.036 55.803 -0.373 0.000 0.939 330 Q CB -2.147 26.526 28.738 -0.109 0.000 2.758 330 Q HN 0.961 nan 8.270 nan 0.000 0.985 331 N N 0.818 119.473 118.700 -0.076 0.000 2.494 331 N HA -0.036 4.704 4.740 -0.000 0.000 0.182 331 N C 1.700 177.224 175.510 0.023 0.000 1.076 331 N CA 2.414 55.490 53.050 0.042 0.000 0.908 331 N CB -0.405 38.112 38.487 0.050 0.000 0.967 331 N HN 1.289 nan 8.380 nan 0.000 0.449 332 S N 1.184 116.841 115.700 -0.072 0.000 2.368 332 S HA -0.035 4.435 4.470 -0.000 0.000 0.224 332 S C 1.882 176.497 174.600 0.027 0.000 1.029 332 S CA 0.479 58.679 58.200 -0.000 0.000 0.988 332 S CB -0.432 62.718 63.200 -0.082 0.000 0.838 332 S HN 0.094 nan 8.310 nan 0.000 0.462 333 L N 2.768 123.921 121.223 -0.116 0.000 2.131 333 L HA 0.007 4.347 4.340 -0.000 0.000 0.210 333 L C 2.080 178.921 176.870 -0.049 0.000 1.092 333 L CA 1.426 56.205 54.840 -0.102 0.000 0.759 333 L CB -2.221 39.734 42.059 -0.174 0.000 0.903 333 L HN 0.347 nan 8.230 nan 0.000 0.435 334 N N -1.159 117.532 118.700 -0.016 0.000 2.207 334 N HA -0.184 4.556 4.740 -0.000 0.000 0.182 334 N C 1.694 177.253 175.510 0.080 0.000 1.020 334 N CA 0.790 53.815 53.050 -0.041 0.000 0.858 334 N CB -0.525 37.982 38.487 0.034 0.000 0.991 334 N HN 0.484 nan 8.380 nan 0.000 0.427 335 W N 1.559 122.858 121.300 -0.001 0.000 2.699 335 W HA 0.200 4.860 4.660 -0.000 0.000 0.249 335 W C 0.026 176.590 176.519 0.076 0.000 1.280 335 W CA -0.061 57.312 57.345 0.046 0.000 1.345 335 W CB -0.236 29.246 29.460 0.037 0.000 1.128 335 W HN -0.135 nan 8.180 nan 0.000 0.642 336 M N 2.569 122.249 119.600 0.133 0.000 2.982 336 M HA -0.032 4.448 4.480 -0.000 0.000 0.293 336 M C 0.209 176.650 176.300 0.236 0.000 1.611 336 M CA 1.355 56.745 55.300 0.149 0.000 1.576 336 M CB -0.203 32.489 32.600 0.154 0.000 1.555 336 M HN -0.133 nan 8.290 nan 0.000 0.485 337 K N 1.564 121.937 120.400 -0.046 0.000 3.513 337 K HA 0.089 4.409 4.320 -0.000 0.000 0.164 337 K C 0.520 176.733 176.600 -0.644 0.000 1.041 337 K CA -0.081 56.132 56.287 -0.123 0.000 0.761 337 K CB 0.452 32.893 32.500 -0.099 0.000 0.811 337 K HN 0.406 nan 8.250 nan 0.000 0.510 338 K N 0.615 120.226 120.400 -1.315 0.000 2.211 338 K HA -0.008 4.312 4.320 -0.000 0.000 0.203 338 K C 0.111 176.098 176.600 -1.022 0.000 1.050 338 K CA 0.904 56.423 56.287 -1.279 0.000 0.945 338 K CB 0.028 31.591 32.500 -1.562 0.000 0.732 338 K HN 0.356 nan 8.250 nan 0.000 0.451 339 L N 1.269 121.728 121.223 -1.273 0.000 3.601 339 L HA -0.178 4.162 4.340 -0.000 0.000 0.469 339 L C -1.055 175.650 176.870 -0.274 0.000 1.294 339 L CA 0.730 55.285 54.840 -0.475 0.000 0.829 339 L CB -2.450 39.481 42.059 -0.214 0.000 1.628 339 L HN 0.001 nan 8.230 nan 0.000 0.868 340 S N 1.746 117.311 115.700 -0.225 0.000 2.410 340 S HA 0.574 5.044 4.470 -0.000 0.000 0.304 340 S C -1.876 172.829 174.600 0.175 0.000 1.095 340 S CA -0.925 57.275 58.200 -0.001 0.000 1.089 340 S CB 1.173 64.381 63.200 0.014 0.000 0.968 340 S HN 0.245 nan 8.310 nan 0.000 0.480 341 P HA 0.421 nan 4.420 nan 0.000 0.277 341 P C -0.532 176.847 177.300 0.132 0.000 1.240 341 P CA -0.622 62.562 63.100 0.141 0.000 0.798 341 P CB 0.874 32.622 31.700 0.080 0.000 0.979 342 R N 0.044 120.632 120.500 0.147 0.000 2.664 342 R HA 0.357 4.697 4.340 -0.000 0.000 0.266 342 R C -0.914 175.441 176.300 0.091 0.000 1.046 342 R CA -0.520 55.657 56.100 0.128 0.000 0.885 342 R CB 1.160 31.576 30.300 0.193 0.000 1.254 342 R HN 0.521 nan 8.270 nan 0.000 0.465 343 T N 2.130 116.716 114.554 0.053 0.000 2.738 343 T HA 0.416 4.766 4.350 -0.000 0.000 0.293 343 T C 0.289 175.028 174.700 0.066 0.000 0.913 343 T CA -0.452 61.655 62.100 0.013 0.000 1.103 343 T CB 0.072 68.940 68.868 -0.001 0.000 0.880 343 T HN 0.235 nan 8.240 nan 0.000 0.526 344 I N 3.172 123.790 120.570 0.081 0.000 2.498 344 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 344 I C -0.190 176.028 176.117 0.167 0.000 1.032 344 I CA -1.126 60.265 61.300 0.152 0.000 1.073 344 I CB 1.524 39.664 38.000 0.235 0.000 1.251 344 I HN 0.841 nan 8.210 nan 0.000 0.426 345 H N 6.055 125.152 119.070 0.046 0.000 2.872 345 H HA 0.445 5.001 4.556 -0.000 0.000 0.273 345 H C -0.878 174.469 175.328 0.032 0.000 1.205 345 H CA -0.165 55.898 56.048 0.025 0.000 1.342 345 H CB 0.604 30.360 29.762 -0.009 0.000 1.469 345 H HN 0.561 nan 8.280 nan 0.000 0.487 346 L N 5.253 126.344 121.223 -0.220 0.000 2.380 346 L HA 0.317 4.657 4.340 -0.000 0.000 0.273 346 L C -0.505 176.191 176.870 -0.291 0.000 1.138 346 L CA 0.030 54.770 54.840 -0.165 0.000 0.832 346 L CB 0.562 42.624 42.059 0.006 0.000 1.124 346 L HN 0.864 nan 8.230 nan 0.000 0.454 347 T N 3.111 117.566 114.554 -0.164 0.000 3.170 347 T HA 0.569 4.919 4.350 -0.000 0.000 0.315 347 T C -0.621 174.053 174.700 -0.044 0.000 0.967 347 T CA -0.813 61.233 62.100 -0.091 0.000 1.024 347 T CB 1.197 70.037 68.868 -0.047 0.000 1.018 347 T HN 0.614 nan 8.240 nan 0.000 0.449 348 M N 0.938 120.541 119.600 0.005 0.000 2.569 348 M HA 0.744 5.224 4.480 -0.000 0.000 0.279 348 M C -3.221 173.125 176.300 0.076 0.000 1.253 348 M CA -2.328 52.952 55.300 -0.034 0.000 0.867 348 M CB 2.364 34.834 32.600 -0.216 0.000 1.727 348 M HN 0.133 nan 8.290 nan 0.000 0.467 349 P HA 0.006 nan 4.420 nan 0.000 0.271 349 P C -1.252 176.005 177.300 -0.071 0.000 1.218 349 P CA 0.048 63.096 63.100 -0.086 0.000 0.780 349 P CB 0.568 31.917 31.700 -0.585 0.000 0.901 350 Q N 2.698 122.475 119.800 -0.038 0.000 2.281 350 Q HA 0.152 4.492 4.340 -0.000 0.000 0.267 350 Q C -0.902 175.048 176.000 -0.084 0.000 1.053 350 Q CA 0.036 55.813 55.803 -0.043 0.000 0.905 350 Q CB -0.091 28.641 28.738 -0.010 0.000 1.195 350 Q HN 0.454 nan 8.270 nan 0.000 0.398 351 L N 5.020 126.186 121.223 -0.094 0.000 2.265 351 L HA 0.395 4.735 4.340 -0.000 0.000 0.289 351 L C -0.229 176.577 176.870 -0.107 0.000 1.033 351 L CA -0.853 53.916 54.840 -0.118 0.000 0.814 351 L CB 1.142 43.117 42.059 -0.139 0.000 1.203 351 L HN 0.420 nan 8.230 nan 0.000 0.423 352 V N 2.843 122.675 119.914 -0.136 0.000 2.658 352 V HA 0.518 4.638 4.120 -0.000 0.000 0.259 352 V C -0.720 175.216 176.094 -0.264 0.000 0.933 352 V CA -0.425 61.757 62.300 -0.197 0.000 0.871 352 V CB 0.851 32.614 31.823 -0.099 0.000 1.062 352 V HN 0.598 nan 8.190 nan 0.000 0.479 353 L N 3.580 124.598 121.223 -0.341 0.000 2.409 353 L HA 0.675 5.015 4.340 -0.000 0.000 0.262 353 L C 0.086 176.764 176.870 -0.320 0.000 0.992 353 L CA -0.764 53.919 54.840 -0.261 0.000 0.817 353 L CB 2.643 44.618 42.059 -0.140 0.000 1.350 353 L HN 0.696 nan 8.230 nan 0.000 0.411 354 Q N 1.506 121.234 119.800 -0.119 0.000 2.247 354 Q HA 0.689 5.029 4.340 -0.000 0.000 0.184 354 Q C -0.331 175.750 176.000 0.136 0.000 1.067 354 Q CA -0.449 55.409 55.803 0.091 0.000 1.115 354 Q CB 1.499 30.404 28.738 0.279 0.000 1.147 354 Q HN 0.717 nan 8.270 nan 0.000 0.599 355 G N 0.222 109.157 108.800 0.226 0.000 1.895 355 G HA2 0.377 4.337 3.960 -0.000 0.000 0.302 355 G HA3 0.377 4.337 3.960 -0.000 0.000 0.302 355 G C -1.421 173.660 174.900 0.302 0.000 1.691 355 G CA -0.496 44.759 45.100 0.259 0.000 0.929 355 G HN 0.513 nan 8.290 nan 0.000 0.629 356 S N 0.465 116.341 115.700 0.293 0.000 2.593 356 S HA 0.926 5.396 4.470 -0.000 0.000 0.297 356 S C -0.938 173.890 174.600 0.381 0.000 1.112 356 S CA -0.582 57.740 58.200 0.203 0.000 1.043 356 S CB 1.211 64.473 63.200 0.102 0.000 1.054 356 S HN 1.188 nan 8.310 nan 0.000 0.516 357 Y N -0.952 119.451 120.300 0.172 0.000 2.376 357 Y HA 0.509 5.059 4.550 -0.000 0.000 0.321 357 Y C -1.416 174.562 175.900 0.130 0.000 1.189 357 Y CA -1.195 57.031 58.100 0.210 0.000 1.069 357 Y CB 0.511 39.082 38.460 0.186 0.000 1.292 357 Y HN 0.409 nan 8.280 nan 0.000 0.430 358 D N 4.015 124.538 120.400 0.206 0.000 2.312 358 D HA 0.165 4.805 4.640 -0.000 0.000 0.252 358 D C 0.894 177.298 176.300 0.174 0.000 1.150 358 D CA -0.250 53.813 54.000 0.105 0.000 0.870 358 D CB 1.438 42.290 40.800 0.087 0.000 1.153 358 D HN 0.745 nan 8.370 nan 0.000 0.457 359 L N 3.543 124.842 121.223 0.126 0.000 2.079 359 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 359 L C 2.280 179.250 176.870 0.168 0.000 1.081 359 L CA 1.557 56.498 54.840 0.168 0.000 0.752 359 L CB -0.841 41.288 42.059 0.116 0.000 0.896 359 L HN 0.689 nan 8.230 nan 0.000 0.433 360 Q N -1.294 118.590 119.800 0.140 0.000 2.224 360 Q HA -0.183 4.157 4.340 -0.000 0.000 0.203 360 Q C 1.102 177.183 176.000 0.135 0.000 0.970 360 Q CA 1.440 57.356 55.803 0.188 0.000 0.865 360 Q CB -0.131 28.715 28.738 0.181 0.000 0.922 360 Q HN 0.372 nan 8.270 nan 0.000 0.445 361 D N 0.930 121.407 120.400 0.128 0.000 2.240 361 D HA -0.025 4.615 4.640 -0.000 0.000 0.206 361 D C 1.920 178.279 176.300 0.099 0.000 0.963 361 D CA 0.287 54.355 54.000 0.113 0.000 0.863 361 D CB 0.048 40.934 40.800 0.144 0.000 0.973 361 D HN 0.167 nan 8.370 nan 0.000 0.501 362 L N 0.392 121.696 121.223 0.135 0.000 2.093 362 L HA 0.063 4.403 4.340 -0.000 0.000 0.208 362 L C 0.326 177.226 176.870 0.051 0.000 1.085 362 L CA 1.008 55.911 54.840 0.104 0.000 0.755 362 L CB -0.236 41.943 42.059 0.200 0.000 0.904 362 L HN -0.053 nan 8.230 nan 0.000 0.435 363 L N 0.132 121.399 121.223 0.074 0.000 2.317 363 L HA 0.636 4.976 4.340 -0.000 0.000 0.281 363 L C -0.440 176.445 176.870 0.025 0.000 1.024 363 L CA -0.299 54.565 54.840 0.041 0.000 0.810 363 L CB 1.626 43.722 42.059 0.062 0.000 1.240 363 L HN 0.134 nan 8.230 nan 0.000 0.427 364 A N 2.081 124.896 122.820 -0.008 0.000 2.567 364 A HA 0.455 4.775 4.320 -0.000 0.000 0.291 364 A C -0.127 177.440 177.584 -0.029 0.000 1.048 364 A CA 0.135 52.164 52.037 -0.014 0.000 0.661 364 A CB 1.582 20.578 19.000 -0.005 0.000 1.288 364 A HN 0.748 nan 8.150 nan 0.000 0.424 365 Q N -1.403 118.383 119.800 -0.024 0.000 1.942 365 Q HA -0.397 3.943 4.340 -0.000 0.000 0.173 365 Q C 1.737 177.724 176.000 -0.022 0.000 2.935 365 Q CA 3.261 59.051 55.803 -0.023 0.000 0.188 365 Q CB -1.805 26.918 28.738 -0.025 0.000 0.219 365 Q HN 2.166 nan 8.270 nan 0.000 0.363 366 A N -0.181 122.622 122.820 -0.028 0.000 1.898 366 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 366 A C 1.563 179.136 177.584 -0.017 0.000 1.181 366 A CA 2.094 54.119 52.037 -0.021 0.000 0.620 366 A CB -0.263 18.720 19.000 -0.028 0.000 0.819 366 A HN 0.576 nan 8.150 nan 0.000 0.442 367 E N -0.598 119.589 120.200 -0.022 0.000 2.434 367 E HA 0.122 4.472 4.350 -0.000 0.000 0.207 367 E C 0.507 177.082 176.600 -0.042 0.000 0.929 367 E CA 0.297 56.682 56.400 -0.025 0.000 1.001 367 E CB 0.205 29.894 29.700 -0.018 0.000 1.016 367 E HN 0.537 nan 8.360 nan 0.000 0.502 368 L N -0.285 120.915 121.223 -0.038 0.000 3.965 368 L HA -0.162 4.177 4.340 -0.000 0.000 0.476 368 L C -1.653 175.163 176.870 -0.091 0.000 1.201 368 L CA 0.600 55.413 54.840 -0.046 0.000 0.710 368 L CB -1.777 40.261 42.059 -0.035 0.000 1.509 368 L HN 0.133 nan 8.230 nan 0.000 0.815 369 P HA -0.048 nan 4.420 nan 0.000 0.224 369 P C 1.783 178.842 177.300 -0.401 0.000 1.157 369 P CA 1.818 64.708 63.100 -0.351 0.000 0.799 369 P CB 0.331 31.826 31.700 -0.341 0.000 0.809 370 A N 0.845 123.630 122.820 -0.060 0.000 1.915 370 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 370 A C 2.329 179.925 177.584 0.021 0.000 1.198 370 A CA 1.983 54.073 52.037 0.088 0.000 0.647 370 A CB -1.678 17.368 19.000 0.077 0.000 0.825 370 A HN 0.169 nan 8.150 nan 0.000 0.456 371 I N -1.176 119.373 120.570 -0.036 0.000 2.202 371 I HA -0.196 3.974 4.170 -0.000 0.000 0.242 371 I C 2.371 178.452 176.117 -0.060 0.000 1.091 371 I CA 1.238 62.517 61.300 -0.035 0.000 1.368 371 I CB -0.316 37.662 38.000 -0.037 0.000 1.058 371 I HN 0.411 nan 8.210 nan 0.000 0.410 372 L N 0.333 121.475 121.223 -0.135 0.000 2.191 372 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 372 L C 2.499 179.293 176.870 -0.127 0.000 1.103 372 L CA 1.968 56.716 54.840 -0.154 0.000 0.769 372 L CB -0.921 41.008 42.059 -0.215 0.000 0.908 372 L HN 0.241 nan 8.230 nan 0.000 0.438 373 H N -0.707 118.354 119.070 -0.016 0.000 2.333 373 H HA 0.005 4.561 4.556 -0.000 0.000 0.302 373 H C 1.915 177.225 175.328 -0.030 0.000 1.075 373 H CA 1.913 57.946 56.048 -0.025 0.000 1.348 373 H CB -0.861 28.890 29.762 -0.018 0.000 1.393 373 H HN 0.490 nan 8.280 nan 0.000 0.509 374 T N -0.825 113.788 114.554 0.099 0.000 3.215 374 T HA 0.005 4.355 4.350 -0.000 0.000 0.254 374 T C 0.766 175.469 174.700 0.006 0.000 1.149 374 T CA -0.042 62.080 62.100 0.037 0.000 1.042 374 T CB 0.042 68.926 68.868 0.027 0.000 0.966 374 T HN 0.027 nan 8.240 nan 0.000 0.534 375 E N 0.912 121.112 120.200 -0.000 0.000 2.373 375 E HA 0.304 4.654 4.350 -0.000 0.000 0.263 375 E C 1.009 177.597 176.600 -0.020 0.000 1.073 375 E CA -0.624 55.765 56.400 -0.019 0.000 0.894 375 E CB 0.842 30.524 29.700 -0.030 0.000 1.008 375 E HN 0.238 nan 8.360 nan 0.000 0.420 376 L N 3.149 124.354 121.223 -0.030 0.000 2.131 376 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 376 L C -0.141 176.711 176.870 -0.031 0.000 1.092 376 L CA 1.114 55.934 54.840 -0.032 0.000 0.759 376 L CB -0.119 41.918 42.059 -0.036 0.000 0.903 376 L HN 0.462 nan 8.230 nan 0.000 0.435 377 N N 0.149 118.834 118.700 -0.024 0.000 2.402 377 N HA 0.236 4.976 4.740 -0.000 0.000 0.259 377 N C -0.172 175.324 175.510 -0.022 0.000 1.167 377 N CA 0.057 53.099 53.050 -0.015 0.000 0.949 377 N CB 1.150 39.645 38.487 0.013 0.000 1.212 377 N HN 0.126 nan 8.380 nan 0.000 0.493 378 L N 0.773 121.970 121.223 -0.043 0.000 2.692 378 L HA 0.213 4.553 4.340 -0.000 0.000 0.175 378 L C 1.496 178.315 176.870 -0.085 0.000 1.112 378 L CA 0.224 55.022 54.840 -0.070 0.000 0.908 378 L CB -0.751 41.252 42.059 -0.094 0.000 1.672 378 L HN 0.444 nan 8.230 nan 0.000 0.500 379 Q N 0.044 119.793 119.800 -0.085 0.000 1.863 379 Q HA -0.452 3.888 4.340 -0.000 0.000 0.194 379 Q C 1.716 177.658 176.000 -0.097 0.000 2.887 379 Q CA 2.490 58.246 55.803 -0.077 0.000 0.316 379 Q CB -1.234 27.474 28.738 -0.049 0.000 0.508 379 Q HN 0.372 nan 8.270 nan 0.000 0.415 380 K N 0.789 121.141 120.400 -0.079 0.000 2.293 380 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 380 K C 2.044 178.578 176.600 -0.110 0.000 1.045 380 K CA 1.568 57.827 56.287 -0.047 0.000 0.933 380 K CB -0.122 32.375 32.500 -0.004 0.000 0.736 380 K HN 0.387 nan 8.250 nan 0.000 0.463 381 L N 0.388 121.429 121.223 -0.302 0.000 2.262 381 L HA 0.012 4.352 4.340 -0.000 0.000 0.197 381 L C 0.554 177.205 176.870 -0.365 0.000 1.073 381 L CA 0.212 54.668 54.840 -0.640 0.000 0.800 381 L CB 0.204 41.640 42.059 -1.037 0.000 0.987 381 L HN -0.015 nan 8.230 nan 0.000 0.470 382 S N -0.089 115.459 115.700 -0.255 0.000 2.422 382 S HA 0.062 4.532 4.470 -0.000 0.000 0.283 382 S C 0.422 174.953 174.600 -0.115 0.000 1.163 382 S CA -0.529 57.568 58.200 -0.172 0.000 1.054 382 S CB 0.905 64.022 63.200 -0.138 0.000 0.967 382 S HN 0.360 nan 8.310 nan 0.000 0.499 383 N N 3.440 122.083 118.700 -0.095 0.000 2.148 383 N HA -0.031 4.709 4.740 -0.000 0.000 0.186 383 N C 0.145 175.624 175.510 -0.051 0.000 1.031 383 N CA 1.245 54.258 53.050 -0.062 0.000 0.848 383 N CB -0.006 38.456 38.487 -0.042 0.000 1.005 383 N HN 0.718 nan 8.380 nan 0.000 0.427 384 D N -0.218 120.157 120.400 -0.041 0.000 2.507 384 D HA 0.163 4.803 4.640 -0.000 0.000 0.280 384 D C -0.040 176.232 176.300 -0.046 0.000 1.219 384 D CA -0.345 53.636 54.000 -0.031 0.000 1.085 384 D CB 0.415 41.213 40.800 -0.002 0.000 1.134 384 D HN 0.066 nan 8.370 nan 0.000 0.583 385 R N 0.383 120.859 120.500 -0.040 0.000 2.370 385 R HA 0.320 4.660 4.340 -0.000 0.000 0.309 385 R C -0.137 176.126 176.300 -0.062 0.000 1.059 385 R CA 0.052 56.124 56.100 -0.046 0.000 0.981 385 R CB 0.383 30.661 30.300 -0.036 0.000 0.972 385 R HN 0.282 nan 8.270 nan 0.000 0.437 386 I N 3.833 124.361 120.570 -0.070 0.000 2.336 386 I HA 0.277 4.447 4.170 -0.000 0.000 0.292 386 I C 0.171 176.245 176.117 -0.073 0.000 0.991 386 I CA -0.558 60.691 61.300 -0.085 0.000 1.227 386 I CB 1.130 39.073 38.000 -0.095 0.000 1.366 386 I HN 0.460 nan 8.210 nan 0.000 0.466 387 R N 5.560 126.006 120.500 -0.090 0.000 2.545 387 R HA 0.279 4.619 4.340 -0.000 0.000 0.289 387 R C -0.974 175.264 176.300 -0.103 0.000 1.327 387 R CA -0.558 55.498 56.100 -0.075 0.000 1.040 387 R CB 2.203 32.465 30.300 -0.063 0.000 1.176 387 R HN 0.400 nan 8.270 nan 0.000 0.518 388 V N 2.923 122.790 119.914 -0.079 0.000 2.585 388 V HA 0.166 4.286 4.120 -0.000 0.000 0.296 388 V C 1.045 177.093 176.094 -0.076 0.000 1.035 388 V CA 0.974 63.219 62.300 -0.093 0.000 1.084 388 V CB 1.178 32.951 31.823 -0.084 0.000 0.953 388 V HN 0.905 nan 8.190 nan 0.000 0.483 389 G N 5.570 114.312 108.800 -0.096 0.000 2.437 389 G HA2 0.152 4.112 3.960 -0.000 0.000 0.212 389 G HA3 0.152 4.112 3.960 -0.000 0.000 0.212 389 G C 0.305 175.209 174.900 0.007 0.000 1.174 389 G CA 0.708 45.786 45.100 -0.036 0.000 0.811 389 G HN 0.946 nan 8.290 nan 0.000 0.537 390 E N -2.009 118.201 120.200 0.017 0.000 2.375 390 E HA 0.472 4.822 4.350 -0.000 0.000 0.280 390 E C -1.844 174.776 176.600 0.034 0.000 0.972 390 E CA -1.001 55.413 56.400 0.023 0.000 0.782 390 E CB 2.120 31.843 29.700 0.040 0.000 1.229 390 E HN 0.066 nan 8.360 nan 0.000 0.439 391 V N 4.346 124.259 119.914 -0.002 0.000 2.266 391 V HA 0.388 4.508 4.120 -0.000 0.000 0.266 391 V C -1.086 175.023 176.094 0.024 0.000 1.036 391 V CA -0.472 61.848 62.300 0.033 0.000 0.828 391 V CB 0.470 32.233 31.823 -0.100 0.000 1.081 391 V HN 0.752 nan 8.190 nan 0.000 0.449 392 L N 5.136 126.368 121.223 0.015 0.000 2.334 392 L HA 0.618 4.958 4.340 -0.000 0.000 0.277 392 L C -0.173 176.573 176.870 -0.206 0.000 1.075 392 L CA -0.247 54.527 54.840 -0.110 0.000 0.804 392 L CB 1.390 43.374 42.059 -0.125 0.000 1.174 392 L HN 0.557 nan 8.230 nan 0.000 0.438 393 N N 1.740 120.184 118.700 -0.427 0.000 2.446 393 N HA 0.318 5.058 4.740 -0.000 0.000 0.265 393 N C -1.261 173.929 175.510 -0.533 0.000 0.975 393 N CA -0.291 52.449 53.050 -0.516 0.000 0.928 393 N CB 1.723 39.761 38.487 -0.749 0.000 1.160 393 N HN 0.508 nan 8.380 nan 0.000 0.495 394 S N 1.682 117.208 115.700 -0.291 0.000 2.478 394 S HA 0.742 5.212 4.470 -0.000 0.000 0.312 394 S C -0.242 174.455 174.600 0.161 0.000 1.094 394 S CA -0.862 57.291 58.200 -0.079 0.000 1.081 394 S CB 0.297 63.407 63.200 -0.151 0.000 1.007 394 S HN 0.436 nan 8.310 nan 0.000 0.475 395 I N 0.012 120.757 120.570 0.291 0.000 2.648 395 I HA 0.810 4.980 4.170 -0.000 0.000 0.304 395 I C -1.084 175.255 176.117 0.370 0.000 1.009 395 I CA -1.194 60.343 61.300 0.396 0.000 1.114 395 I CB 1.363 39.697 38.000 0.557 0.000 1.293 395 I HN 0.648 nan 8.210 nan 0.000 0.449 396 F N 5.914 125.935 119.950 0.118 0.000 2.686 396 F HA 0.504 5.031 4.527 -0.000 0.000 0.365 396 F C -1.231 174.505 175.800 -0.107 0.000 1.196 396 F CA -0.778 57.238 58.000 0.027 0.000 1.198 396 F CB 0.620 39.603 39.000 -0.029 0.000 1.454 396 F HN 0.495 nan 8.300 nan 0.000 0.539 397 F N 4.110 123.849 119.950 -0.352 0.000 2.438 397 F HA 0.378 4.905 4.527 -0.000 0.000 0.356 397 F C -0.038 175.532 175.800 -0.383 0.000 1.099 397 F CA 0.177 57.949 58.000 -0.380 0.000 1.185 397 F CB 0.575 39.345 39.000 -0.383 0.000 1.115 397 F HN 0.424 nan 8.300 nan 0.000 0.526 398 E N 6.576 126.445 120.200 -0.551 0.000 2.263 398 E HA 0.453 4.803 4.350 -0.000 0.000 0.268 398 E C -1.821 174.573 176.600 -0.344 0.000 0.884 398 E CA -0.683 55.510 56.400 -0.346 0.000 0.766 398 E CB 1.384 30.942 29.700 -0.237 0.000 1.196 398 E HN 0.652 nan 8.360 nan 0.000 0.416 399 L N 3.309 124.427 121.223 -0.175 0.000 2.346 399 L HA 0.589 4.929 4.340 -0.000 0.000 0.276 399 L C -0.186 176.623 176.870 -0.102 0.000 1.006 399 L CA -0.580 54.185 54.840 -0.126 0.000 0.817 399 L CB 1.864 43.893 42.059 -0.050 0.000 1.272 399 L HN 0.601 nan 8.230 nan 0.000 0.421 400 E N 1.061 121.202 120.200 -0.097 0.000 2.450 400 E HA 0.854 5.204 4.350 -0.000 0.000 0.272 400 E C -1.311 175.272 176.600 -0.027 0.000 0.967 400 E CA -0.982 55.384 56.400 -0.056 0.000 0.818 400 E CB 2.585 32.249 29.700 -0.060 0.000 1.401 400 E HN 0.608 nan 8.360 nan 0.000 0.450 401 A N 0.544 123.378 122.820 0.024 0.000 2.498 401 A HA 0.550 4.869 4.320 -0.000 0.000 0.298 401 A C -1.307 176.326 177.584 0.083 0.000 1.075 401 A CA -0.653 51.438 52.037 0.090 0.000 0.714 401 A CB 1.112 20.201 19.000 0.148 0.000 1.299 401 A HN 0.590 nan 8.150 nan 0.000 0.407 402 D N 1.331 121.798 120.400 0.110 0.000 2.720 402 D HA 0.279 4.919 4.640 -0.000 0.000 0.285 402 D C -0.250 176.098 176.300 0.079 0.000 1.359 402 D CA 0.124 54.172 54.000 0.080 0.000 0.818 402 D CB 0.152 40.997 40.800 0.075 0.000 1.108 402 D HN 0.709 nan 8.370 nan 0.000 0.474 417 E N 1.698 121.894 120.200 -0.008 0.000 2.375 417 E HA 0.549 4.899 4.350 -0.000 0.000 0.280 417 E C -0.864 175.738 176.600 0.004 0.000 0.972 417 E CA -0.716 55.683 56.400 -0.002 0.000 0.782 417 E CB 2.599 32.301 29.700 0.004 0.000 1.229 417 E HN 0.143 nan 8.360 nan 0.000 0.439 418 V N -0.823 119.096 119.914 0.008 0.000 3.182 418 V HA 0.687 4.807 4.120 -0.000 0.000 0.308 418 V C -1.115 175.002 176.094 0.039 0.000 1.240 418 V CA -1.175 61.141 62.300 0.026 0.000 1.063 418 V CB 2.162 33.999 31.823 0.023 0.000 1.076 418 V HN 0.750 nan 8.190 nan 0.000 0.446 419 L N 1.264 122.526 121.223 0.066 0.000 2.342 419 L HA 0.594 4.933 4.340 -0.000 0.000 0.276 419 L C 0.028 176.940 176.870 0.070 0.000 0.997 419 L CA -0.300 54.579 54.840 0.065 0.000 0.838 419 L CB 1.455 43.572 42.059 0.096 0.000 1.224 419 L HN 1.055 nan 8.230 nan 0.000 0.416 420 E N 4.332 124.559 120.200 0.046 0.000 1.802 420 E HA 0.051 4.401 4.350 -0.000 0.000 0.265 420 E C -0.707 175.917 176.600 0.040 0.000 1.168 420 E CA -0.249 56.198 56.400 0.077 0.000 1.033 420 E CB 0.812 30.519 29.700 0.011 0.000 1.095 420 E HN 0.450 nan 8.360 nan 0.000 0.436 421 V N 5.323 125.250 119.914 0.021 0.000 2.313 421 V HA 0.175 4.295 4.120 -0.000 0.000 0.252 421 V C -0.500 175.551 176.094 -0.073 0.000 1.112 421 V CA 0.073 62.329 62.300 -0.074 0.000 0.984 421 V CB 0.717 32.445 31.823 -0.157 0.000 1.157 421 V HN 0.515 nan 8.190 nan 0.000 0.493 422 T N 7.675 122.193 114.554 -0.059 0.000 2.902 422 T HA 0.503 4.853 4.350 -0.000 0.000 0.283 422 T C 0.335 174.990 174.700 -0.074 0.000 1.009 422 T CA -0.427 61.644 62.100 -0.049 0.000 1.051 422 T CB 1.596 70.453 68.868 -0.017 0.000 0.999 422 T HN 0.513 nan 8.240 nan 0.000 0.474 423 L N 3.489 124.684 121.223 -0.047 0.000 3.096 423 L HA 0.216 4.556 4.340 -0.000 0.000 0.247 423 L C 1.720 178.763 176.870 0.288 0.000 1.321 423 L CA -0.538 54.273 54.840 -0.047 0.000 1.044 423 L CB -0.390 41.370 42.059 -0.498 0.000 1.434 423 L HN 0.634 nan 8.230 nan 0.000 0.533 424 N N 0.869 119.702 118.700 0.221 0.000 2.205 424 N HA -0.185 4.555 4.740 -0.000 0.000 0.186 424 N C 0.759 176.594 175.510 0.542 0.000 1.015 424 N CA 1.182 54.432 53.050 0.333 0.000 0.862 424 N CB 0.085 38.715 38.487 0.237 0.000 0.986 424 N HN 0.410 nan 8.380 nan 0.000 0.429 425 R N 0.155 120.863 120.500 0.347 0.000 2.758 425 R HA 0.467 4.807 4.340 -0.000 0.000 0.265 425 R C -2.381 174.097 176.300 0.297 0.000 1.016 425 R CA -2.122 54.161 56.100 0.305 0.000 1.040 425 R CB 0.771 31.178 30.300 0.179 0.000 1.152 425 R HN 0.049 nan 8.270 nan 0.000 0.503 426 P HA -0.113 nan 4.420 nan 0.000 0.266 426 P C -1.130 176.304 177.300 0.223 0.000 1.180 426 P CA 0.774 63.963 63.100 0.148 0.000 0.765 426 P CB 0.272 31.984 31.700 0.021 0.000 0.806 427 F N 0.369 120.298 119.950 -0.035 0.000 2.715 427 F HA 0.692 5.219 4.527 -0.000 0.000 0.318 427 F C -1.940 173.872 175.800 0.020 0.000 1.141 427 F CA -1.283 56.706 58.000 -0.020 0.000 0.950 427 F CB 0.786 39.769 39.000 -0.029 0.000 1.374 427 F HN -0.060 nan 8.300 nan 0.000 0.477 428 L N 1.795 123.092 121.223 0.123 0.000 2.319 428 L HA 0.699 5.039 4.340 -0.000 0.000 0.267 428 L C -0.667 176.393 176.870 0.317 0.000 1.011 428 L CA -0.706 54.195 54.840 0.102 0.000 0.818 428 L CB 1.719 43.859 42.059 0.135 0.000 1.316 428 L HN 0.947 nan 8.230 nan 0.000 0.432 429 F N -0.579 119.357 119.950 -0.022 0.000 2.741 429 F HA 0.879 5.406 4.527 -0.000 0.000 0.313 429 F C -1.312 174.465 175.800 -0.038 0.000 1.153 429 F CA -1.347 56.659 58.000 0.010 0.000 0.931 429 F CB 1.800 40.812 39.000 0.021 0.000 1.335 429 F HN 0.535 nan 8.300 nan 0.000 0.460 430 A N 1.645 124.382 122.820 -0.138 0.000 2.534 430 A HA 0.590 4.910 4.320 -0.000 0.000 0.300 430 A C -1.360 176.281 177.584 0.096 0.000 1.054 430 A CA -0.285 51.625 52.037 -0.212 0.000 0.858 430 A CB 0.416 19.300 19.000 -0.194 0.000 1.333 430 A HN 2.161 nan 8.150 nan 0.000 0.391 431 V N 0.830 120.851 119.914 0.178 0.000 2.530 431 V HA 0.753 4.873 4.120 -0.000 0.000 0.282 431 V C -0.416 175.879 176.094 0.336 0.000 1.048 431 V CA -0.287 62.196 62.300 0.305 0.000 0.997 431 V CB 0.680 32.667 31.823 0.273 0.000 0.987 431 V HN 1.272 nan 8.190 nan 0.000 0.477 432 Y N 2.961 123.385 120.300 0.206 0.000 2.477 432 Y HA 0.661 5.211 4.550 -0.000 0.000 0.347 432 Y C -0.918 175.107 175.900 0.208 0.000 0.981 432 Y CA -1.161 57.049 58.100 0.183 0.000 1.033 432 Y CB 2.062 40.595 38.460 0.122 0.000 1.245 432 Y HN 0.869 nan 8.280 nan 0.000 0.455 433 D N 4.000 124.062 120.400 -0.563 0.000 2.256 433 D HA 0.232 4.872 4.640 -0.000 0.000 0.240 433 D C 0.112 175.903 176.300 -0.849 0.000 1.062 433 D CA -0.084 53.654 54.000 -0.436 0.000 0.832 433 D CB 1.911 42.671 40.800 -0.067 0.000 1.135 433 D HN 0.853 nan 8.370 nan 0.000 0.484 434 Q N 1.388 120.946 119.800 -0.403 0.000 2.137 434 Q HA -0.081 4.259 4.340 -0.000 0.000 0.198 434 Q C 1.869 177.812 176.000 -0.094 0.000 0.960 434 Q CA 1.172 56.873 55.803 -0.170 0.000 0.847 434 Q CB 0.121 28.883 28.738 0.040 0.000 0.915 434 Q HN 0.593 nan 8.270 nan 0.000 0.448 435 S N 0.540 116.198 115.700 -0.070 0.000 2.402 435 S HA -0.014 4.456 4.470 -0.000 0.000 0.229 435 S C 1.774 176.357 174.600 -0.028 0.000 1.021 435 S CA 0.856 59.042 58.200 -0.025 0.000 0.974 435 S CB 0.003 63.202 63.200 -0.001 0.000 0.800 435 S HN 0.315 nan 8.310 nan 0.000 0.484 436 A N 1.486 124.272 122.820 -0.056 0.000 2.500 436 A HA 0.470 4.790 4.320 -0.000 0.000 0.267 436 A C 1.096 178.622 177.584 -0.096 0.000 1.290 436 A CA 0.373 52.381 52.037 -0.048 0.000 0.928 436 A CB -1.073 17.922 19.000 -0.010 0.000 1.066 436 A HN 1.136 nan 8.150 nan 0.000 0.516 437 T N -2.751 111.733 114.554 -0.116 0.000 3.538 437 T HA -0.079 4.271 4.350 -0.000 0.000 0.385 437 T C 0.165 174.861 174.700 -0.006 0.000 0.766 437 T CA 0.963 63.046 62.100 -0.028 0.000 1.906 437 T CB -2.507 66.397 68.868 0.061 0.000 1.760 437 T HN 1.926 nan 8.240 nan 0.000 0.678 438 A N 1.001 123.713 122.820 -0.179 0.000 2.398 438 A HA 0.704 5.024 4.320 -0.000 0.000 0.301 438 A C -0.229 177.339 177.584 -0.027 0.000 1.041 438 A CA -1.338 50.624 52.037 -0.125 0.000 0.711 438 A CB 1.084 19.921 19.000 -0.272 0.000 1.240 438 A HN 1.037 nan 8.150 nan 0.000 0.420 439 L N 1.072 122.362 121.223 0.112 0.000 2.268 439 L HA 0.463 4.803 4.340 -0.000 0.000 0.289 439 L C 0.793 177.645 176.870 -0.029 0.000 1.064 439 L CA 0.032 54.981 54.840 0.183 0.000 0.824 439 L CB -0.613 41.537 42.059 0.153 0.000 1.202 439 L HN 0.744 nan 8.230 nan 0.000 0.433 440 H N 2.314 121.354 119.070 -0.051 0.000 2.428 440 H HA 0.156 4.712 4.556 -0.000 0.000 0.296 440 H C -0.402 174.588 175.328 -0.563 0.000 1.062 440 H CA 1.254 57.161 56.048 -0.235 0.000 1.350 440 H CB 0.265 29.981 29.762 -0.077 0.000 1.403 440 H HN 0.450 nan 8.280 nan 0.000 0.533 441 F N -0.017 119.947 119.950 0.024 0.000 2.601 441 F HA 0.481 5.008 4.527 -0.000 0.000 0.309 441 F C -0.672 174.938 175.800 -0.317 0.000 1.089 441 F CA -0.707 57.219 58.000 -0.124 0.000 0.940 441 F CB 2.328 41.242 39.000 -0.142 0.000 1.273 441 F HN -0.251 nan 8.300 nan 0.000 0.450 442 L N 1.715 122.817 121.223 -0.202 0.000 2.455 442 L HA 0.904 5.243 4.340 -0.000 0.000 0.264 442 L C -0.443 176.203 176.870 -0.373 0.000 0.968 442 L CA -0.619 53.970 54.840 -0.418 0.000 0.827 442 L CB 2.323 44.147 42.059 -0.393 0.000 1.317 442 L HN 0.820 nan 8.230 nan 0.000 0.407 443 G N 1.658 110.061 108.800 -0.662 0.000 2.623 443 G HA2 0.580 4.540 3.960 -0.000 0.000 0.290 443 G HA3 0.580 4.540 3.960 -0.000 0.000 0.290 443 G C -2.236 172.617 174.900 -0.079 0.000 1.437 443 G CA -0.679 44.253 45.100 -0.280 0.000 0.798 443 G HN 0.516 nan 8.290 nan 0.000 0.488 444 R N -0.552 119.902 120.500 -0.077 0.000 2.778 444 R HA 0.740 5.079 4.340 -0.000 0.000 0.277 444 R C -1.419 174.638 176.300 -0.406 0.000 0.977 444 R CA -0.586 55.327 56.100 -0.312 0.000 0.950 444 R CB 2.211 32.056 30.300 -0.758 0.000 1.165 444 R HN 0.352 nan 8.270 nan 0.000 0.474 445 V N 4.008 123.583 119.914 -0.564 0.000 2.380 445 V HA 0.382 4.502 4.120 -0.000 0.000 0.286 445 V C 0.454 176.303 176.094 -0.410 0.000 1.015 445 V CA -0.257 61.705 62.300 -0.565 0.000 0.834 445 V CB 0.917 32.203 31.823 -0.896 0.000 1.009 445 V HN 1.051 nan 8.190 nan 0.000 0.428 446 A N 4.569 127.201 122.820 -0.313 0.000 1.871 446 A HA 0.298 4.618 4.320 -0.000 0.000 0.211 446 A C 0.765 178.263 177.584 -0.142 0.000 1.207 446 A CA 1.027 52.942 52.037 -0.204 0.000 0.620 446 A CB 0.083 18.968 19.000 -0.193 0.000 0.860 446 A HN 0.873 nan 8.150 nan 0.000 0.450 447 N N -0.832 117.771 118.700 -0.162 0.000 2.555 447 N HA 0.370 5.110 4.740 -0.000 0.000 0.265 447 N C -3.772 171.641 175.510 -0.160 0.000 1.135 447 N CA -1.315 51.646 53.050 -0.149 0.000 0.925 447 N CB 0.289 38.725 38.487 -0.085 0.000 1.662 447 N HN -0.155 nan 8.380 nan 0.000 0.489 448 P HA 0.454 nan 4.420 nan 0.000 0.276 448 P C -0.731 176.515 177.300 -0.091 0.000 1.235 448 P CA -0.262 62.751 63.100 -0.146 0.000 0.772 448 P CB 0.692 32.294 31.700 -0.164 0.000 0.871 449 L N 0.000 121.182 121.223 -0.069 0.000 2.949 449 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 449 L CA 0.000 54.817 54.840 -0.038 0.000 0.813 449 L CB 0.000 42.039 42.059 -0.034 0.000 0.961 449 L HN 0.000 nan 8.230 nan 0.000 0.502