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_F 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 0.000 175.689 176.094 -0.676 0.000 1.182 3 V CA 0.000 62.101 62.300 -0.331 0.000 1.235 3 V CB 0.000 31.400 31.823 -0.705 0.000 1.184 4 Y N 4.224 124.616 120.300 0.153 0.000 2.607 4 Y HA 0.496 5.046 4.550 0.000 0.000 0.315 4 Y C -0.055 175.988 175.900 0.238 0.000 0.913 4 Y CA -0.345 57.886 58.100 0.219 0.000 0.892 4 Y CB -0.735 37.858 38.460 0.222 0.000 1.403 4 Y HN 0.452 nan 8.280 nan 0.000 0.563 5 I N 1.812 122.745 120.570 0.604 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 0.337 0.000 1.067 5 I CA -0.643 60.877 61.300 0.368 0.000 1.047 5 I CB 0.922 39.083 38.000 0.268 0.000 1.352 5 I HN 0.240 nan 8.210 nan 0.000 0.565 6 H N 2.183 121.362 119.070 0.181 0.000 3.224 6 H HA 0.426 4.982 4.556 0.000 0.000 0.331 6 H C -2.658 172.738 175.328 0.113 0.000 1.002 6 H CA -1.461 54.654 56.048 0.112 0.000 1.473 6 H CB 1.175 30.997 29.762 0.100 0.000 1.830 6 H HN 0.304 nan 8.280 nan 0.000 0.485 7 P HA 0.222 nan 4.420 nan 0.000 0.282 7 P C -1.040 176.134 177.300 -0.209 0.000 1.249 7 P CA -0.361 62.667 63.100 -0.120 0.000 0.806 7 P CB 1.056 32.680 31.700 -0.126 0.000 0.984 8 F N 1.195 121.145 119.950 0.000 0.000 2.404 8 F HA 0.224 4.751 4.527 0.000 0.000 0.354 8 F C 1.050 176.877 175.800 0.044 0.000 1.122 8 F CA -0.240 57.790 58.000 0.051 0.000 1.080 8 F CB 0.827 39.856 39.000 0.048 0.000 1.131 8 F HN 0.368 nan 8.300 nan 0.000 0.471 9 H N 6.176 125.288 119.070 0.070 0.000 2.691 9 H HA 0.330 4.886 4.556 0.000 0.000 0.281 9 H C -0.640 174.739 175.328 0.085 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 -0.015 0.000 1.390 9 H HN 0.591 nan 8.280 nan 0.000 0.491 10 L N 6.330 127.534 121.223 -0.033 0.000 2.719 10 L HA 0.194 4.534 4.340 0.000 0.000 0.236 10 L C -0.338 176.529 176.870 -0.005 0.000 1.285 10 L CA -0.351 54.511 54.840 0.037 0.000 1.222 10 L CB 0.424 42.504 42.059 0.036 0.000 1.493 10 L HN 0.260 nan 8.230 nan 0.000 0.415 11 V N 1.912 121.873 119.914 0.078 0.000 2.293 11 V HA 0.246 4.366 4.120 0.000 0.000 0.275 11 V C 0.460 176.689 176.094 0.225 0.000 1.021 11 V CA -0.539 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 6.698 127.358 120.570 0.149 0.000 2.752 12 I HA 0.223 4.393 4.170 0.000 0.000 0.287 12 I C 0.180 176.410 176.117 0.189 0.000 1.188 12 I CA 0.535 61.915 61.300 0.134 0.000 1.427 12 I CB 0.108 38.135 38.000 0.044 0.000 1.365 12 I HN 0.825 nan 8.210 nan 0.000 0.585 13 H N 5.091 124.186 119.070 0.042 0.000 2.985 13 H HA 0.315 4.871 4.556 0.000 0.000 0.360 13 H C -1.366 173.978 175.328 0.027 0.000 1.221 13 H CA -1.152 54.917 56.048 0.035 0.000 1.121 13 H CB 0.402 30.187 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 52.956 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 1.298 121.432 120.200 -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 0.620 56.987 56.400 -0.056 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 0.903 116.671 115.700 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 0.070 0.000 2.654 17 T HA 0.323 4.673 4.350 0.000 0.000 0.243 17 T C -0.021 174.710 174.700 0.053 0.000 2.213 17 T CA -0.487 61.651 62.100 0.064 0.000 0.955 17 T CB -1.074 67.831 68.868 0.062 0.000 2.347 17 T HN 1.331 nan 8.240 nan 0.000 0.371 32 P HA 0.278 nan 4.420 nan 0.000 0.283 32 P C -0.199 177.206 177.300 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 0.686 115.330 114.554 0.149 0.000 2.788 33 T HA 0.644 4.994 4.350 0.000 0.000 0.287 33 T C -0.051 174.821 174.700 0.287 0.000 1.007 33 T CA -0.494 61.701 62.100 0.159 0.000 1.005 33 T CB 0.493 69.416 68.868 0.093 0.000 1.012 33 T HN 0.366 nan 8.240 nan 0.000 0.530 34 F N -1.230 118.781 119.950 0.101 0.000 2.615 34 F HA 0.668 5.195 4.527 0.000 0.000 0.312 34 F C -1.399 174.389 175.800 -0.021 0.000 1.119 34 F CA -1.731 56.304 58.000 0.059 0.000 0.979 34 F CB 0.881 39.903 39.000 0.036 0.000 1.266 34 F HN 0.538 nan 8.300 nan 0.000 0.444 35 I N 5.061 125.619 120.570 -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 -1.771 59.426 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 -0.423 62.752 63.100 0.126 0.000 0.798 36 P CB 1.072 32.819 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 0.480 4.800 4.320 0.000 0.000 0.255 37 A C -2.028 175.540 177.584 -0.026 0.000 1.099 37 A CA -1.224 50.815 52.037 0.003 0.000 0.801 37 A CB -1.264 17.740 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 62.892 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 -1.147 119.323 120.570 -0.166 0.000 2.830 39 I HA -0.154 4.016 4.170 0.000 0.000 0.263 39 I C 2.137 178.233 176.117 -0.035 0.000 1.230 39 I CA 0.882 62.029 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 2.314 122.095 119.800 -0.032 0.000 2.234 40 Q HA -0.057 4.283 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 0.969 56.773 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 1.490 124.322 122.820 0.021 0.000 2.540 41 A HA 0.020 4.340 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 52.205 52.037 0.031 0.000 0.758 41 A CB 0.161 19.175 19.000 0.024 0.000 0.991 41 A HN 0.283 nan 8.150 nan 0.000 0.502 42 K N 2.510 122.931 120.400 0.035 0.000 2.294 42 K HA 0.171 4.492 4.320 0.000 0.000 0.288 42 K C -0.417 176.200 176.600 0.028 0.000 1.072 42 K CA 0.428 56.730 56.287 0.025 0.000 0.960 42 K CB 0.054 32.554 32.500 -0.000 0.000 1.043 42 K HN 0.661 nan 8.250 nan 0.000 0.455 43 T N 1.760 116.343 114.554 0.049 0.000 2.767 43 T HA 0.116 4.466 4.350 0.000 0.000 0.284 43 T C 0.260 174.920 174.700 -0.066 0.000 0.973 43 T CA -0.807 61.308 62.100 0.024 0.000 0.996 43 T CB 1.122 70.061 68.868 0.118 0.000 0.927 43 T HN 0.574 nan 8.240 nan 0.000 0.456 44 S N 4.580 120.238 115.700 -0.071 0.000 2.572 44 S HA 0.362 4.832 4.470 0.000 0.000 0.279 44 S C -2.121 172.388 174.600 -0.152 0.000 1.341 44 S CA -1.142 56.998 58.200 -0.100 0.000 1.043 44 S CB -0.083 63.071 63.200 -0.078 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 62.276 63.100 -0.241 0.000 0.795 45 P CB 0.362 31.913 31.700 -0.247 0.000 1.006 46 V N 2.641 122.406 119.914 -0.248 0.000 2.479 46 V HA 0.010 4.130 4.120 0.000 0.000 0.281 46 V C 1.189 177.200 176.094 -0.137 0.000 1.031 46 V CA -0.140 62.053 62.300 -0.178 0.000 1.038 46 V CB -0.568 31.146 31.823 -0.181 0.000 0.981 46 V HN 0.572 nan 8.190 nan 0.000 0.478 47 N N 4.265 122.911 118.700 -0.090 0.000 2.421 47 N HA 0.008 4.748 4.740 0.000 0.000 0.260 47 N C 1.089 176.578 175.510 -0.034 0.000 1.173 47 N CA 0.254 53.266 53.050 -0.064 0.000 0.960 47 N CB 0.696 39.151 38.487 -0.052 0.000 1.273 47 N HN 0.798 nan 8.380 nan 0.000 0.497 48 E N 3.197 123.385 120.200 -0.020 0.000 2.150 48 E HA -0.148 4.202 4.350 0.000 0.000 0.193 48 E C 1.045 177.653 176.600 0.012 0.000 0.985 48 E CA 1.107 57.523 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 0.092 120.488 120.400 -0.005 0.000 2.002 49 K HA -0.122 4.198 4.320 0.000 0.000 0.209 49 K C 2.220 178.813 176.600 -0.011 0.000 1.048 49 K CA 1.133 57.414 56.287 -0.010 0.000 0.930 49 K CB -0.203 32.287 32.500 -0.016 0.000 0.714 49 K HN 0.093 nan 8.250 nan 0.000 0.438 50 A N 1.564 124.375 122.820 -0.015 0.000 1.978 50 A HA -0.178 4.142 4.320 0.000 0.000 0.220 50 A C 2.089 179.667 177.584 -0.011 0.000 1.170 50 A CA 1.269 53.296 52.037 -0.015 0.000 0.636 50 A CB -0.499 18.488 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 2.767 179.638 176.870 0.003 0.000 1.071 51 L CA 2.803 57.645 54.840 0.002 0.000 0.744 51 L CB -1.065 41.005 42.059 0.019 0.000 0.893 51 L HN 0.686 nan 8.230 nan 0.000 0.433 52 Q N -1.732 118.069 119.800 0.002 0.000 2.167 52 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 52 Q C 1.459 177.455 176.000 -0.007 0.000 0.970 52 Q CA 1.730 57.529 55.803 -0.005 0.000 0.855 52 Q CB -0.639 28.088 28.738 -0.018 0.000 0.911 52 Q HN 0.461 nan 8.270 nan 0.000 0.438 53 D N 0.471 120.867 120.400 -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 0.862 54.858 54.000 -0.007 0.000 0.851 53 D CB -0.025 40.770 40.800 -0.008 0.000 0.943 53 D HN 0.341 nan 8.370 nan 0.000 0.488 54 Q N 0.162 119.961 119.800 -0.003 0.000 2.212 54 Q HA 0.035 4.375 4.340 0.000 0.000 0.199 54 Q C 2.365 178.368 176.000 0.004 0.000 0.950 54 Q CA 0.235 56.038 55.803 -0.000 0.000 0.863 54 Q CB 0.135 28.871 28.738 -0.003 0.000 0.944 54 Q HN 0.334 nan 8.270 nan 0.000 0.465 55 L N 0.439 121.665 121.223 0.005 0.000 2.141 55 L HA -0.136 4.204 4.340 0.000 0.000 0.209 55 L C 2.477 179.355 176.870 0.013 0.000 1.094 55 L CA 1.010 55.857 54.840 0.011 0.000 0.763 55 L CB -0.528 41.538 42.059 0.012 0.000 0.908 55 L HN 0.102 nan 8.230 nan 0.000 0.437 56 V N -2.828 117.090 119.914 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 1.125 63.429 62.300 0.007 0.000 1.065 56 V CB -0.645 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 0.576 121.805 121.223 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 2.212 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 0.757 120.681 119.914 0.017 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 1.540 63.853 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 0.575 nan 8.190 nan 0.000 0.455 59 A N -0.244 122.591 122.820 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 1.851 53.905 52.037 0.028 0.000 0.627 59 A CB -0.615 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 1.354 178.949 177.584 0.019 0.000 1.200 60 A CA 1.075 53.123 52.037 0.018 0.000 0.610 60 A CB -0.359 18.650 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 56.363 56.287 0.019 0.000 1.060 61 K CB -0.333 32.177 32.500 0.016 0.000 1.417 61 K HN 0.257 nan 8.250 nan 0.000 0.329 62 L N 1.777 123.015 121.223 0.025 0.000 2.543 62 L HA 0.249 4.589 4.340 0.000 0.000 0.265 62 L C -0.982 175.906 176.870 0.030 0.000 0.945 62 L CA -0.560 54.298 54.840 0.030 0.000 0.869 62 L CB 1.687 43.766 42.059 0.033 0.000 1.294 62 L HN 0.288 nan 8.230 nan 0.000 0.405 63 D N 1.447 121.867 120.400 0.034 0.000 2.361 63 D HA 0.141 4.781 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 0.702 54.722 54.000 0.033 0.000 0.915 63 D CB 1.259 42.081 40.800 0.037 0.000 1.170 63 D HN 0.774 nan 8.370 nan 0.000 0.444 64 T N -1.880 112.692 114.554 0.029 0.000 2.915 64 T HA -0.127 4.223 4.350 0.000 0.000 0.269 64 T C 1.338 176.058 174.700 0.034 0.000 1.071 64 T CA 0.982 63.099 62.100 0.028 0.000 1.132 64 T CB -0.086 68.794 68.868 0.021 0.000 0.878 64 T HN 0.379 nan 8.240 nan 0.000 0.479 65 E N 1.204 121.428 120.200 0.040 0.000 2.107 65 E HA -0.098 4.252 4.350 0.000 0.000 0.191 65 E C 1.973 178.619 176.600 0.075 0.000 0.982 65 E CA 1.146 57.578 56.400 0.053 0.000 0.809 65 E CB -0.089 29.646 29.700 0.057 0.000 0.756 65 E HN 0.502 nan 8.360 nan 0.000 0.459 66 D N 0.924 121.368 120.400 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 55.004 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 0.264 120.697 120.400 0.056 0.000 2.097 67 K HA -0.045 4.276 4.320 0.000 0.000 0.206 67 K C 2.266 178.894 176.600 0.046 0.000 1.049 67 K CA 0.571 56.886 56.287 0.045 0.000 0.933 67 K CB -0.055 32.465 32.500 0.033 0.000 0.717 67 K HN 0.149 nan 8.250 nan 0.000 0.442 68 L N 0.336 121.589 121.223 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 0.070 0.000 1.085 68 L CA 0.982 55.848 54.840 0.044 0.000 0.755 68 L CB -0.339 41.739 42.059 0.030 0.000 0.904 68 L HN 0.173 nan 8.230 nan 0.000 0.435 69 R N 0.390 120.968 120.500 0.129 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 1.342 57.590 56.100 0.247 0.000 0.963 69 R CB -0.180 30.313 30.300 0.322 0.000 0.858 69 R HN 0.329 nan 8.270 nan 0.000 0.435 70 A N 0.684 123.569 122.820 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 53.736 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 -0.700 122.129 122.820 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 1.840 53.868 52.037 -0.015 0.000 0.620 71 A CB -0.506 18.495 19.000 0.003 0.000 0.819 71 A HN 0.622 nan 8.150 nan 0.000 0.442 72 M N -0.691 118.907 119.600 -0.004 0.000 2.067 72 M HA -0.103 4.377 4.480 0.000 0.000 0.260 72 M C 2.052 178.325 176.300 -0.046 0.000 1.069 72 M CA 2.150 57.432 55.300 -0.030 0.000 1.117 72 M CB -0.203 32.375 32.600 -0.037 0.000 1.334 72 M HN 0.212 nan 8.290 nan 0.000 0.407 73 V N 0.646 120.584 119.914 0.040 0.000 2.594 73 V HA -0.142 3.978 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 2.235 64.471 62.300 -0.108 0.000 1.082 73 V CB -1.129 30.697 31.823 0.005 0.000 0.680 73 V HN 0.724 nan 8.190 nan 0.000 0.469 74 G N -0.592 108.057 108.800 -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 0.266 119.636 119.600 -0.384 0.000 2.159 75 M HA 0.079 4.559 4.480 0.000 0.000 0.263 75 M C 2.540 178.333 176.300 -0.845 0.000 1.063 75 M CA 0.676 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 -0.205 120.715 121.223 -0.506 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 2.000 56.627 54.840 -0.354 0.000 0.749 76 L CB -1.756 40.107 42.059 -0.327 0.000 0.893 76 L HN 0.248 nan 8.230 nan 0.000 0.432 77 A N 0.036 122.359 122.820 -0.827 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 1.682 53.373 52.037 -0.576 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 -0.155 118.201 118.700 -0.574 0.000 2.058 78 N HA -0.128 4.612 4.740 0.000 0.000 0.191 78 N C 1.268 176.260 175.510 -0.862 0.000 1.037 78 N CA 1.640 54.227 53.050 -0.771 0.000 0.848 78 N CB -0.739 37.369 38.487 -0.632 0.000 1.021 78 N HN 0.452 nan 8.380 nan 0.000 0.422 79 F N 0.734 120.517 119.950 -0.277 0.000 2.216 79 F HA 0.002 4.529 4.527 0.000 0.000 0.300 79 F C 2.120 177.900 175.800 -0.034 0.000 1.085 79 F CA 0.082 58.068 58.000 -0.024 0.000 1.326 79 F CB -1.045 37.995 39.000 0.066 0.000 1.027 79 F HN 0.011 nan 8.300 nan 0.000 0.497 80 L N 0.584 121.866 121.223 0.097 0.000 2.046 80 L HA 0.015 4.355 4.340 0.000 0.000 0.208 80 L C 2.452 179.348 176.870 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 -1.051 107.673 108.800 -0.125 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 1.314 176.275 174.900 0.102 0.000 1.158 81 G CA 0.979 46.012 45.100 -0.111 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 2.733 178.663 175.800 0.218 0.000 1.090 82 F CA 0.383 58.532 58.000 0.249 0.000 1.323 82 F CB -0.679 38.445 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 2.207 178.580 176.300 0.122 0.000 1.136 83 R CA 1.617 57.830 56.100 0.187 0.000 0.959 83 R CB -0.717 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 -0.468 120.176 120.570 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 0.744 62.072 61.300 0.046 0.000 1.462 84 I CB -0.131 37.901 38.000 0.054 0.000 1.092 84 I HN 0.177 nan 8.210 nan 0.000 0.442 85 Y N 1.528 121.798 120.300 -0.051 0.000 2.632 85 Y HA -0.024 4.526 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 0.460 58.444 58.100 -0.193 0.000 1.328 85 Y CB -0.478 37.929 38.460 -0.089 0.000 1.016 85 Y HN 0.093 nan 8.280 nan 0.000 0.529 86 G N -0.218 108.433 108.800 -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 0.504 45.270 45.100 -0.555 0.000 0.774 86 G HN 0.406 nan 8.290 nan 0.000 0.543 87 M N -0.414 118.793 119.600 -0.654 0.000 2.279 87 M HA -0.010 4.470 4.480 0.000 0.000 0.264 87 M C 0.349 176.297 176.300 -0.587 0.000 1.062 87 M CA 0.718 55.694 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 0.379 nan 8.290 nan 0.000 0.426 88 H N 0.477 119.199 119.070 -0.580 0.000 2.969 88 H HA -0.094 4.462 4.556 0.000 0.000 0.347 88 H C 0.778 175.757 175.328 -0.581 0.000 1.235 88 H CA 0.715 56.405 56.048 -0.598 0.000 1.179 88 H CB -2.166 27.413 29.762 -0.305 0.000 1.578 88 H HN 0.656 nan 8.280 nan 0.000 0.431 89 S N -1.624 113.590 115.700 -0.810 0.000 3.490 89 S HA -0.247 4.223 4.470 0.000 0.000 0.301 89 S C 0.748 175.066 174.600 -0.469 0.000 1.233 89 S CA 1.846 59.651 58.200 -0.659 0.000 0.914 89 S CB -1.119 61.894 63.200 -0.311 0.000 1.047 89 S HN 0.604 nan 8.310 nan 0.000 0.602 90 E N 0.350 120.286 120.200 -0.440 0.000 2.481 90 E HA 0.477 4.827 4.350 0.000 0.000 0.198 90 E C 1.676 178.104 176.600 -0.286 0.000 1.027 90 E CA 0.388 56.626 56.400 -0.269 0.000 0.900 90 E CB -0.062 29.524 29.700 -0.189 0.000 0.993 90 E HN 0.715 nan 8.360 nan 0.000 0.482 91 L N -0.366 120.568 121.223 -0.483 0.000 2.046 91 L HA -0.147 4.193 4.340 0.000 0.000 0.208 91 L C 1.603 178.346 176.870 -0.211 0.000 1.077 91 L CA 1.041 55.638 54.840 -0.405 0.000 0.747 91 L CB -0.338 41.375 42.059 -0.578 0.000 0.896 91 L HN 0.368 nan 8.230 nan 0.000 0.432 92 W N 0.246 121.485 121.300 -0.102 0.000 2.519 92 W HA 0.065 4.725 4.660 0.000 0.000 0.266 92 W C 2.349 178.819 176.519 -0.083 0.000 1.253 92 W CA 0.702 57.999 57.345 -0.080 0.000 1.274 92 W CB -1.591 27.832 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 0.778 175.660 174.900 -0.030 0.000 1.125 93 G CA 0.593 45.700 45.100 0.012 0.000 0.755 93 G HN 0.035 nan 8.290 nan 0.000 0.565 94 V N 2.107 122.006 119.914 -0.026 0.000 2.070 94 V HA 0.101 4.221 4.120 0.000 0.000 0.239 94 V C 0.366 176.327 176.094 -0.222 0.000 1.472 94 V CA -0.317 61.946 62.300 -0.062 0.000 1.453 94 V CB 0.343 32.221 31.823 0.091 0.000 1.503 94 V HN 0.073 nan 8.190 nan 0.000 0.501 95 V N 5.483 125.160 119.914 -0.396 0.000 2.287 95 V HA 0.210 4.330 4.120 0.000 0.000 0.246 95 V C 0.127 175.913 176.094 -0.513 0.000 1.165 95 V CA -0.044 62.076 62.300 -0.300 0.000 1.088 95 V CB -1.022 30.716 31.823 -0.142 0.000 1.242 95 V HN 0.763 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 1.629 31.472 29.762 0.135 0.000 1.598 96 H HN 0.723 nan 8.280 nan 0.000 0.515 97 G N 2.043 110.957 108.800 0.191 0.000 2.562 97 G HA2 -0.119 3.841 3.960 0.000 0.000 0.250 97 G HA3 -0.119 3.841 3.960 0.000 0.000 0.250 97 G C -0.130 174.823 174.900 0.087 0.000 1.269 97 G CA -0.250 44.935 45.100 0.141 0.000 0.919 97 G HN 0.871 nan 8.290 nan 0.000 0.574 98 A N -0.081 122.778 122.820 0.066 0.000 2.388 98 A HA 0.674 4.994 4.320 0.000 0.000 0.257 98 A C 1.239 178.846 177.584 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 -0.286 174.443 174.700 0.047 0.000 0.959 99 T CA -0.144 61.953 62.100 -0.004 0.000 1.118 99 T CB -0.610 68.080 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 -1.168 175.018 176.094 0.153 0.000 1.184 100 V CA -1.154 61.209 62.300 0.106 0.000 0.930 100 V CB 1.837 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 3.620 124.886 121.223 0.073 0.000 2.341 101 L HA 0.893 5.233 4.340 0.000 0.000 0.267 101 L C -0.515 176.415 176.870 0.100 0.000 1.009 101 L CA -0.373 54.449 54.840 -0.030 0.000 0.819 101 L CB 2.310 44.096 42.059 -0.456 0.000 1.323 101 L HN 0.640 nan 8.230 nan 0.000 0.425 102 S N 2.092 117.881 115.700 0.149 0.000 2.528 102 S HA 0.476 4.946 4.470 0.000 0.000 0.303 102 S C -1.737 172.815 174.600 -0.079 0.000 1.123 102 S CA -1.531 56.572 58.200 -0.161 0.000 1.138 102 S CB 0.776 63.780 63.200 -0.326 0.000 0.984 102 S HN 0.639 nan 8.310 nan 0.000 0.474 103 P HA -0.167 nan 4.420 nan 0.000 0.216 103 P C 1.728 178.979 177.300 -0.082 0.000 1.154 103 P CA 1.760 64.792 63.100 -0.112 0.000 0.865 103 P CB -0.320 31.241 31.700 -0.232 0.000 0.789 104 T N -2.864 111.584 114.554 -0.176 0.000 2.821 104 T HA -0.008 4.342 4.350 0.000 0.000 0.267 104 T C 1.953 176.688 174.700 0.058 0.000 1.046 104 T CA 1.243 63.263 62.100 -0.133 0.000 1.139 104 T CB -1.127 67.543 68.868 -0.329 0.000 0.871 104 T HN 0.028 nan 8.240 nan 0.000 0.454 105 A N 1.171 124.022 122.820 0.052 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 1.276 53.421 52.037 0.180 0.000 0.620 105 A CB -1.057 18.030 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 -0.284 3.836 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 64.784 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 1.577 121.514 119.950 -0.021 0.000 2.091 107 F HA -0.155 4.372 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 1.971 59.930 58.000 -0.070 0.000 1.228 107 F CB -0.870 38.072 39.000 -0.096 0.000 0.984 107 F HN 0.145 nan 8.300 nan 0.000 0.477 108 G N -1.598 107.208 108.800 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 1.265 46.122 45.100 -0.405 0.000 0.779 108 G HN 0.408 nan 8.290 nan 0.000 0.543 109 T N 0.151 114.682 114.554 -0.038 0.000 2.759 109 T HA -0.048 4.302 4.350 0.000 0.000 0.269 109 T C 2.337 176.960 174.700 -0.129 0.000 1.042 109 T CA 1.384 63.536 62.100 0.087 0.000 1.140 109 T CB -0.188 68.806 68.868 0.210 0.000 0.864 109 T HN 0.183 nan 8.240 nan 0.000 0.455 110 L N 0.118 121.244 121.223 -0.162 0.000 2.072 110 L HA 0.134 4.474 4.340 0.000 0.000 0.205 110 L C 2.792 179.497 176.870 -0.275 0.000 1.079 110 L CA 1.306 56.029 54.840 -0.195 0.000 0.752 110 L CB -0.516 41.433 42.059 -0.184 0.000 0.906 110 L HN 0.334 nan 8.230 nan 0.000 0.436 111 A N -0.684 121.881 122.820 -0.425 0.000 2.015 111 A HA -0.172 4.148 4.320 0.000 0.000 0.219 111 A C 2.390 179.849 177.584 -0.210 0.000 1.163 111 A CA 1.610 53.407 52.037 -0.400 0.000 0.646 111 A CB -0.552 18.107 19.000 -0.568 0.000 0.806 111 A HN 0.610 nan 8.150 nan 0.000 0.448 112 S N -0.065 115.476 115.700 -0.264 0.000 2.414 112 S HA 0.024 4.494 4.470 0.000 0.000 0.227 112 S C 1.769 176.262 174.600 -0.179 0.000 1.022 112 S CA 1.023 59.102 58.200 -0.201 0.000 0.958 112 S CB -0.599 62.566 63.200 -0.058 0.000 0.797 112 S HN 0.449 nan 8.310 nan 0.000 0.493 113 L N -0.096 120.950 121.223 -0.295 0.000 2.141 113 L HA -0.018 4.322 4.340 0.000 0.000 0.209 113 L C 2.537 179.402 176.870 -0.009 0.000 1.094 113 L CA 1.548 56.267 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 0.841 121.070 120.300 -0.119 0.000 2.256 114 Y HA -0.284 4.266 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 1.320 59.374 58.100 -0.076 0.000 1.203 114 Y CB -0.029 38.357 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 1.795 178.691 176.870 0.044 0.000 1.072 115 L CA 1.295 56.118 54.840 -0.028 0.000 0.755 115 L CB -1.078 41.023 42.059 0.070 0.000 0.889 115 L HN 0.396 nan 8.230 nan 0.000 0.432 116 G N -0.258 108.627 108.800 0.140 0.000 3.213 116 G HA2 0.477 4.437 3.960 0.000 0.000 0.263 116 G HA3 0.477 4.437 3.960 0.000 0.000 0.263 116 G C -0.434 174.412 174.900 -0.091 0.000 0.829 116 G CA 0.427 45.497 45.100 -0.050 0.000 1.983 116 G HN 0.338 nan 8.290 nan 0.000 0.616 117 A N 2.076 124.821 122.820 -0.125 0.000 2.480 117 A HA 0.638 4.958 4.320 0.000 0.000 0.289 117 A C -0.194 177.317 177.584 -0.122 0.000 1.044 117 A CA -0.641 51.329 52.037 -0.113 0.000 0.761 117 A CB 0.967 19.904 19.000 -0.105 0.000 1.289 117 A HN 0.342 nan 8.150 nan 0.000 0.401 118 L N 1.042 122.232 121.223 -0.055 0.000 2.657 118 L HA 0.402 4.742 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 -1.149 53.671 54.840 -0.034 0.000 0.831 118 L CB 0.110 42.168 42.059 -0.001 0.000 1.539 118 L HN 0.901 nan 8.230 nan 0.000 0.511 119 D N -1.212 119.180 120.400 -0.013 0.000 2.429 119 D HA -0.119 4.521 4.640 0.000 0.000 0.233 119 D C 0.676 176.974 176.300 -0.004 0.000 1.202 119 D CA 0.247 54.198 54.000 -0.081 0.000 0.879 119 D CB 0.223 40.915 40.800 -0.180 0.000 1.212 119 D HN 0.709 nan 8.370 nan 0.000 0.465 120 H N -0.315 118.761 119.070 0.011 0.000 4.803 120 H HA -0.248 4.308 4.556 0.000 0.000 0.060 120 H C 1.734 177.067 175.328 0.009 0.000 0.602 120 H CA 2.194 58.245 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 2.016 116.656 114.554 0.144 0.000 2.708 121 T HA 0.023 4.373 4.350 0.000 0.000 0.266 121 T C 2.121 176.867 174.700 0.077 0.000 1.037 121 T CA 2.273 64.416 62.100 0.071 0.000 1.146 121 T CB -0.560 68.332 68.868 0.039 0.000 0.865 121 T HN 0.626 nan 8.240 nan 0.000 0.435 122 A N 1.651 124.516 122.820 0.075 0.000 1.930 122 A HA -0.100 4.220 4.320 0.000 0.000 0.217 122 A C 1.975 179.698 177.584 0.230 0.000 1.175 122 A CA 1.701 53.834 52.037 0.160 0.000 0.627 122 A CB -0.577 18.416 19.000 -0.013 0.000 0.815 122 A HN 0.366 nan 8.150 nan 0.000 0.443 123 D N -0.748 119.719 120.400 0.111 0.000 2.310 123 D HA -0.043 4.597 4.640 0.000 0.000 0.212 123 D C 2.110 178.443 176.300 0.056 0.000 0.965 123 D CA 0.838 54.881 54.000 0.071 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 -0.329 120.206 120.500 0.058 0.000 2.057 124 R HA 0.176 4.516 4.340 0.000 0.000 0.224 124 R C 2.320 178.628 176.300 0.013 0.000 1.136 124 R CA 0.365 56.481 56.100 0.028 0.000 0.968 124 R CB -0.288 30.020 30.300 0.014 0.000 0.863 124 R HN 0.118 nan 8.270 nan 0.000 0.433 125 L N 1.171 122.414 121.223 0.034 0.000 2.079 125 L HA -0.255 4.085 4.340 0.000 0.000 0.210 125 L C 2.473 179.293 176.870 -0.082 0.000 1.081 125 L CA 1.429 56.271 54.840 0.003 0.000 0.752 125 L CB -0.560 41.553 42.059 0.091 0.000 0.896 125 L HN 0.290 nan 8.230 nan 0.000 0.433 126 Q N -0.156 119.603 119.800 -0.068 0.000 2.012 126 Q HA -0.318 4.022 4.340 0.000 0.000 0.211 126 Q C 2.413 178.367 176.000 -0.075 0.000 1.009 126 Q CA 2.262 57.976 55.803 -0.148 0.000 0.866 126 Q CB -0.439 28.289 28.738 -0.016 0.000 0.945 126 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 -0.143 4.177 4.320 0.000 0.000 0.216 127 A C 2.059 179.644 177.584 0.003 0.000 1.181 127 A CA 1.214 53.252 52.037 0.001 0.000 0.620 127 A CB -0.612 18.394 19.000 0.010 0.000 0.819 127 A HN 0.335 nan 8.150 nan 0.000 0.442 128 I N -0.226 120.336 120.570 -0.014 0.000 2.252 128 I HA -0.241 3.929 4.170 0.000 0.000 0.245 128 I C 2.300 178.409 176.117 -0.012 0.000 1.102 128 I CA 1.072 62.366 61.300 -0.011 0.000 1.385 128 I CB -0.410 37.574 38.000 -0.027 0.000 1.064 128 I HN 0.271 nan 8.210 nan 0.000 0.414 129 L N 0.614 121.792 121.223 -0.076 0.000 2.083 129 L HA 0.008 4.348 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 0.837 55.582 54.840 -0.157 0.000 0.752 129 L CB -0.804 41.019 42.059 -0.393 0.000 0.899 129 L HN 0.499 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 3.988 123.950 119.914 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 0.085 0.000 1.138 131 V CA -1.156 61.182 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 0.279 132 P C 0.362 177.831 177.300 0.283 0.000 1.819 132 P CA -0.173 63.007 63.100 0.132 0.000 1.258 132 P CB -0.047 31.719 31.700 0.110 0.000 1.656 133 W N 1.828 123.148 121.300 0.034 0.000 1.137 133 W HA -0.389 4.271 4.660 0.000 0.000 0.222 133 W C 1.135 177.677 176.519 0.039 0.000 0.931 133 W CA 2.954 60.325 57.345 0.045 0.000 0.426 133 W CB -1.152 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 -0.244 120.303 120.400 0.245 0.000 2.412 134 K HA 0.075 4.395 4.320 0.000 0.000 0.202 134 K C 0.383 177.015 176.600 0.054 0.000 1.102 134 K CA 0.779 57.107 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 0.140 nan 8.250 nan 0.000 0.557 135 D N 0.522 120.973 120.400 0.084 0.000 3.091 135 D HA -0.121 4.519 4.640 0.000 0.000 0.216 135 D C -1.020 175.326 176.300 0.076 0.000 1.129 135 D CA 1.099 55.138 54.000 0.064 0.000 0.913 135 D CB -0.848 39.975 40.800 0.038 0.000 1.101 135 D HN 0.362 nan 8.370 nan 0.000 0.426 136 K N -1.076 119.386 120.400 0.103 0.000 2.625 136 K HA 0.385 4.705 4.320 0.000 0.000 0.284 136 K C -0.668 176.000 176.600 0.114 0.000 0.984 136 K CA -0.763 55.581 56.287 0.095 0.000 0.865 136 K CB 1.094 33.647 32.500 0.087 0.000 1.468 136 K HN -0.149 nan 8.250 nan 0.000 0.407 137 N N 1.136 119.892 118.700 0.094 0.000 2.735 137 N HA 0.090 4.830 4.740 0.000 0.000 0.312 137 N C 0.057 175.614 175.510 0.079 0.000 1.843 137 N CA -0.282 52.828 53.050 0.100 0.000 0.945 137 N CB 0.215 38.760 38.487 0.096 0.000 1.299 137 N HN 0.586 nan 8.380 nan 0.000 0.489 138 c N 1.357 120.005 118.600 0.080 0.000 2.485 138 c HA 0.042 4.612 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 1.160 57.526 56.329 0.061 0.000 1.741 138 c CB -2.388 40.161 42.510 0.064 0.000 1.675 138 c HN 0.764 nan 8.230 nan 0.000 0.573 139 T N -0.100 114.490 114.554 0.060 0.000 0.593 139 T HA -0.048 4.302 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 62.848 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 2.847 118.560 115.700 0.021 0.000 2.815 140 S HA 0.606 5.076 4.470 0.000 0.000 0.296 140 S C 0.594 175.170 174.600 -0.041 0.000 1.224 140 S CA -0.746 57.450 58.200 -0.006 0.000 0.938 140 S CB 1.068 64.278 63.200 0.017 0.000 1.285 140 S HN 0.846 nan 8.310 nan 0.000 0.549 141 R N -0.363 120.101 120.500 -0.060 0.000 2.313 141 R HA 0.267 4.607 4.340 0.000 0.000 0.199 141 R C 1.022 177.307 176.300 -0.024 0.000 0.958 141 R CA 0.364 56.410 56.100 -0.089 0.000 1.047 141 R CB -0.621 29.629 30.300 -0.083 0.000 0.955 141 R HN 0.412 nan 8.270 nan 0.000 0.481 142 L N 0.363 121.551 121.223 -0.059 0.000 2.102 142 L HA -0.011 4.329 4.340 0.000 0.000 0.202 142 L C 0.270 177.038 176.870 -0.170 0.000 1.076 142 L CA 1.299 56.024 54.840 -0.192 0.000 0.761 142 L CB -0.126 41.771 42.059 -0.270 0.000 0.921 142 L HN -0.066 nan 8.230 nan 0.000 0.444 143 D N 0.302 120.688 120.400 -0.023 0.000 2.346 143 D HA 0.348 4.988 4.640 0.000 0.000 0.267 143 D C 1.098 177.523 176.300 0.208 0.000 1.320 143 D CA 1.057 55.121 54.000 0.107 0.000 0.951 143 D CB 0.815 41.729 40.800 0.190 0.000 1.079 143 D HN 0.311 nan 8.370 nan 0.000 0.509 144 A N 3.163 126.093 122.820 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 0.821 52.952 52.037 0.157 0.000 1.238 144 A CB -1.614 17.484 19.000 0.163 0.000 1.378 144 A HN 0.721 nan 8.150 nan 0.000 0.701 145 H N -0.332 118.713 119.070 -0.043 0.000 2.415 145 H HA 0.036 4.592 4.556 0.000 0.000 0.297 145 H C 1.928 177.202 175.328 -0.091 0.000 1.048 145 H CA 1.240 57.255 56.048 -0.055 0.000 1.365 145 H CB 0.008 29.745 29.762 -0.041 0.000 1.421 145 H HN 0.520 nan 8.280 nan 0.000 0.533 146 K N 0.795 121.169 120.400 -0.044 0.000 2.031 146 K HA -0.041 4.279 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 0.474 56.643 56.287 -0.198 0.000 0.939 146 K CB -0.678 31.569 32.500 -0.423 0.000 0.717 146 K HN 0.055 nan 8.250 nan 0.000 0.438 147 V N 2.154 121.893 119.914 -0.291 0.000 2.332 147 V HA -0.222 3.898 4.120 0.000 0.000 0.248 147 V C 2.448 178.503 176.094 -0.066 0.000 1.055 147 V CA 1.467 63.647 62.300 -0.200 0.000 1.038 147 V CB -0.420 31.313 31.823 -0.150 0.000 0.651 147 V HN 0.182 nan 8.190 nan 0.000 0.450 148 L N 0.439 121.616 121.223 -0.076 0.000 2.027 148 L HA -0.129 4.211 4.340 0.000 0.000 0.206 148 L C 2.671 179.588 176.870 0.078 0.000 1.074 148 L CA 1.904 56.725 54.840 -0.031 0.000 0.745 148 L CB -0.741 41.275 42.059 -0.071 0.000 0.898 148 L HN 0.524 nan 8.230 nan 0.000 0.433 149 S N -0.153 115.568 115.700 0.035 0.000 2.453 149 S HA -0.043 4.428 4.470 0.000 0.000 0.231 149 S C 2.068 176.702 174.600 0.057 0.000 1.005 149 S CA 0.622 58.855 58.200 0.055 0.000 0.949 149 S CB -0.279 62.943 63.200 0.036 0.000 0.774 149 S HN 0.331 nan 8.310 nan 0.000 0.510 150 A N 1.475 124.315 122.820 0.032 0.000 1.930 150 A HA 0.201 4.521 4.320 0.000 0.000 0.217 150 A C 2.112 179.743 177.584 0.077 0.000 1.175 150 A CA 1.170 53.236 52.037 0.049 0.000 0.627 150 A CB -0.639 18.378 19.000 0.029 0.000 0.815 150 A HN 0.479 nan 8.150 nan 0.000 0.443 151 L N -0.632 120.656 121.223 0.108 0.000 2.313 151 L HA -0.020 4.320 4.340 0.000 0.000 0.214 151 L C 2.364 179.367 176.870 0.222 0.000 1.119 151 L CA 1.999 56.937 54.840 0.163 0.000 0.809 151 L CB -0.487 41.694 42.059 0.202 0.000 0.933 151 L HN 0.541 nan 8.230 nan 0.000 0.449 152 Q N -0.131 119.791 119.800 0.205 0.000 2.050 152 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 152 Q C 2.211 178.270 176.000 0.099 0.000 0.980 152 Q CA 2.179 58.064 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 0.273 123.146 122.820 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 2.313 54.393 52.037 0.071 0.000 0.631 153 A CB -1.464 17.574 19.000 0.063 0.000 0.822 153 A HN 0.652 nan 8.150 nan 0.000 0.447 154 V N -2.159 117.808 119.914 0.087 0.000 2.594 154 V HA -0.314 3.806 4.120 0.000 0.000 0.253 154 V C 2.046 178.261 176.094 0.202 0.000 1.069 154 V CA 2.372 64.730 62.300 0.097 0.000 1.082 154 V CB -1.162 30.671 31.823 0.016 0.000 0.680 154 V HN 0.647 nan 8.190 nan 0.000 0.469 155 Q N 1.237 121.153 119.800 0.195 0.000 2.049 155 Q HA 0.029 4.370 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 57.571 55.803 0.209 0.000 0.833 155 Q CB -0.663 28.164 28.738 0.147 0.000 0.896 155 Q HN 0.731 nan 8.270 nan 0.000 0.434 156 G N 0.968 109.814 108.800 0.077 0.000 2.432 156 G HA2 -0.223 3.737 3.960 0.000 0.000 0.219 156 G HA3 -0.223 3.737 3.960 0.000 0.000 0.219 156 G C 1.401 176.326 174.900 0.040 0.000 1.135 156 G CA 0.462 45.589 45.100 0.045 0.000 0.767 156 G HN 0.155 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 0.026 4.366 4.340 0.000 0.000 0.209 157 L C 2.693 179.586 176.870 0.038 0.000 1.083 157 L CA 0.647 55.516 54.840 0.049 0.000 0.752 157 L CB -0.253 41.840 42.059 0.056 0.000 0.899 157 L HN 0.299 nan 8.230 nan 0.000 0.433 158 L N -0.655 120.591 121.223 0.038 0.000 1.988 158 L HA -0.083 4.257 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 1.030 55.843 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 -0.033 nan 8.230 nan 0.000 0.433 159 V N 1.251 121.136 119.914 -0.049 0.000 2.149 159 V HA 0.328 4.448 4.120 0.000 0.000 0.245 159 V C 0.846 176.925 176.094 -0.026 0.000 1.349 159 V CA 0.475 62.737 62.300 -0.064 0.000 1.289 159 V CB -0.196 31.578 31.823 -0.082 0.000 1.401 159 V HN 0.534 nan 8.190 nan 0.000 0.501 160 A N 3.623 126.438 122.820 -0.009 0.000 2.164 160 A HA 0.546 4.866 4.320 0.000 0.000 0.218 160 A C 1.367 178.958 177.584 0.011 0.000 2.050 160 A CA 1.097 53.138 52.037 0.008 0.000 0.910 160 A CB -0.428 18.584 19.000 0.020 0.000 1.391 160 A HN 1.789 nan 8.150 nan 0.000 0.614 161 Q N -0.910 118.904 119.800 0.024 0.000 2.459 161 Q HA -0.080 4.260 4.340 0.000 0.000 0.314 161 Q C 1.592 177.608 176.000 0.027 0.000 1.432 161 Q CA 1.670 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 0.954 109.771 108.800 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 1.478 176.393 174.900 0.025 0.000 1.219 162 G CA 1.274 46.389 45.100 0.025 0.000 0.791 162 G HN 1.349 nan 8.290 nan 0.000 0.550 163 R N 0.312 120.829 120.500 0.029 0.000 2.236 163 R HA 0.443 4.783 4.340 0.000 0.000 0.208 163 R C 2.494 178.811 176.300 0.029 0.000 1.036 163 R CA 1.157 57.274 56.100 0.028 0.000 1.001 163 R CB -0.294 30.024 30.300 0.031 0.000 0.896 163 R HN 0.259 nan 8.270 nan 0.000 0.464 164 A N 1.449 124.289 122.820 0.033 0.000 1.897 164 A HA -0.153 4.167 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 1.533 53.591 52.037 0.034 0.000 0.620 164 A CB -0.425 18.600 19.000 0.041 0.000 0.821 164 A HN 0.544 nan 8.150 nan 0.000 0.443 165 D N -2.014 118.398 120.400 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 0.015 0.000 1.205 165 D HN 0.435 nan 8.370 nan 0.000 0.406 166 S N -0.030 115.679 115.700 0.014 0.000 2.612 166 S HA 0.132 4.602 4.470 0.000 0.000 0.253 166 S C -0.072 174.533 174.600 0.009 0.000 1.346 166 S CA -0.158 58.049 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 0.721 120.523 119.800 0.004 0.000 2.242 167 Q HA 0.116 4.456 4.340 0.000 0.000 0.284 167 Q C 1.058 177.056 176.000 -0.003 0.000 1.130 167 Q CA -0.059 55.741 55.803 -0.005 0.000 0.940 167 Q CB 0.192 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 3.602 126.416 122.820 -0.010 0.000 2.067 168 A HA -0.165 4.155 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 1.856 53.892 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 -2.152 117.609 119.800 -0.065 0.000 2.347 169 Q HA -0.210 4.130 4.340 0.000 0.000 0.159 169 Q C 0.601 176.470 176.000 -0.219 0.000 0.568 169 Q CA 1.480 57.224 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 1.858 nan 8.270 nan 0.000 0.988 170 L N -1.626 119.425 121.223 -0.288 0.000 2.312 170 L HA 0.911 5.251 4.340 0.000 0.000 0.281 170 L C 0.254 176.857 176.870 -0.445 0.000 1.070 170 L CA -0.905 53.619 54.840 -0.526 0.000 0.805 170 L CB 1.424 43.111 42.059 -0.619 0.000 1.174 170 L HN 0.490 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 -1.473 175.130 176.870 -0.445 0.000 0.991 171 L CA -0.882 53.726 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 3.104 124.218 121.223 -0.181 0.000 2.518 172 L HA 0.489 4.829 4.340 0.000 0.000 0.262 172 L C -1.111 175.793 176.870 0.058 0.000 0.982 172 L CA 0.178 55.002 54.840 -0.026 0.000 0.873 172 L CB 1.707 43.809 42.059 0.072 0.000 1.198 172 L HN 0.465 nan 8.230 nan 0.000 0.427 173 S N 1.984 117.744 115.700 0.101 0.000 2.525 173 S HA 0.860 5.330 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 57.883 58.200 0.163 0.000 1.072 173 S CB 1.436 64.796 63.200 0.266 0.000 1.027 173 S HN 0.664 nan 8.310 nan 0.000 0.500 174 T N -0.767 113.882 114.554 0.157 0.000 3.078 174 T HA 0.473 4.823 4.350 0.000 0.000 0.328 174 T C -0.558 174.193 174.700 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 0.651 120.677 119.914 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 33.173 31.823 0.106 0.000 0.985 175 V HN 0.652 nan 8.190 nan 0.000 0.443 176 V N 5.681 125.619 119.914 0.040 0.000 2.334 176 V HA 0.616 4.736 4.120 0.000 0.000 0.267 176 V C 1.206 177.227 176.094 -0.123 0.000 1.040 176 V CA 0.328 62.620 62.300 -0.014 0.000 0.866 176 V CB 0.880 32.662 31.823 -0.070 0.000 1.019 176 V HN 1.135 nan 8.190 nan 0.000 0.468 177 G N 3.549 112.325 108.800 -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 -0.509 0.000 1.208 177 G CA -0.225 44.694 45.100 -0.302 0.000 0.856 177 G HN 0.574 nan 8.290 nan 0.000 0.500 178 V N 3.463 122.963 119.914 -0.690 0.000 2.313 178 V HA 0.222 4.342 4.120 0.000 0.000 0.262 178 V C -0.911 174.997 176.094 -0.309 0.000 1.011 178 V CA -0.696 61.368 62.300 -0.393 0.000 0.858 178 V CB -0.140 31.564 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 0.450 4.977 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 0.840 39.955 39.000 0.192 0.000 1.245 179 F HN 0.433 nan 8.300 nan 0.000 0.545 180 T N 0.175 114.861 114.554 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 1.391 124.273 122.820 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 -1.786 50.356 52.037 0.176 0.000 0.814 181 A CB -0.861 18.175 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 0.577 177.875 177.300 -0.003 0.000 1.235 182 P CA 1.457 64.571 63.100 0.023 0.000 0.772 182 P CB 0.748 32.464 31.700 0.028 0.000 0.871 183 G N 2.585 111.352 108.800 -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 -0.243 174.637 174.900 -0.033 0.000 1.005 183 G CA -0.342 44.723 45.100 -0.059 0.000 0.713 183 G HN 0.577 nan 8.290 nan 0.000 0.515 184 L N 2.125 123.294 121.223 -0.090 0.000 2.288 184 L HA 0.370 4.710 4.340 0.000 0.000 0.283 184 L C 0.472 177.255 176.870 -0.145 0.000 1.072 184 L CA -0.918 53.885 54.840 -0.061 0.000 0.862 184 L CB 0.151 42.170 42.059 -0.067 0.000 1.245 184 L HN 0.248 nan 8.230 nan 0.000 0.432 185 H N 6.433 125.435 119.070 -0.114 0.000 3.224 185 H HA 0.102 4.658 4.556 0.000 0.000 0.265 185 H C -0.127 175.063 175.328 -0.229 0.000 1.461 185 H CA -0.612 55.345 56.048 -0.153 0.000 1.509 185 H CB 0.053 29.765 29.762 -0.084 0.000 1.686 185 H HN 0.465 nan 8.280 nan 0.000 0.514 186 L N 0.229 121.266 121.223 -0.310 0.000 2.397 186 L HA 0.290 4.631 4.340 0.000 0.000 0.271 186 L C 0.190 176.831 176.870 -0.382 0.000 1.148 186 L CA -0.429 54.198 54.840 -0.354 0.000 0.825 186 L CB 0.634 42.461 42.059 -0.387 0.000 1.117 186 L HN 0.120 nan 8.230 nan 0.000 0.456 187 K N 1.426 121.731 120.400 -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 3.192 123.167 119.800 0.292 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 1.798 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 1.136 178.562 177.300 0.210 0.000 1.146 189 P CA 1.044 64.259 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 1.420 121.426 119.950 0.094 0.000 2.134 190 F HA -0.182 4.345 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 1.407 59.445 58.000 0.064 0.000 1.264 190 F CB -0.786 38.242 39.000 0.047 0.000 1.001 190 F HN -0.312 nan 8.300 nan 0.000 0.479 191 V N 0.421 120.462 119.914 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 0.346 0.000 0.675 191 V HN 0.409 nan 8.190 nan 0.000 0.461 192 Q N 0.236 120.057 119.800 0.035 0.000 2.167 192 Q HA -0.094 4.246 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 1.462 57.273 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 0.884 109.569 108.800 -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 45.414 45.100 -0.422 0.000 0.775 193 G HN 0.151 nan 8.290 nan 0.000 0.543 194 L N 1.466 122.509 121.223 -0.299 0.000 2.127 194 L HA 0.038 4.378 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 1.569 56.337 54.840 -0.121 0.000 0.757 194 L CB -0.793 41.188 42.059 -0.130 0.000 0.899 194 L HN 0.290 nan 8.230 nan 0.000 0.434 195 A N -0.976 121.818 122.820 -0.043 0.000 1.940 195 A HA -0.183 4.137 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 1.582 53.609 52.037 -0.016 0.000 0.631 195 A CB -0.662 18.331 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 1.650 56.506 54.840 0.028 0.000 0.755 196 L CB -0.899 41.158 42.059 -0.003 0.000 0.904 196 L HN 0.599 nan 8.230 nan 0.000 0.435 197 Y N -0.488 119.788 120.300 -0.040 0.000 2.184 197 Y HA -0.016 4.534 4.550 0.000 0.000 0.290 197 Y C 1.199 177.113 175.900 0.024 0.000 1.129 197 Y CA 1.023 59.121 58.100 -0.002 0.000 1.144 197 Y CB -0.037 38.425 38.460 0.003 0.000 0.995 197 Y HN 0.127 nan 8.280 nan 0.000 0.513 198 T N -0.311 114.168 114.554 -0.125 0.000 2.956 198 T HA 0.347 4.697 4.350 0.000 0.000 0.312 198 T C -2.371 172.281 174.700 -0.080 0.000 1.151 198 T CA -1.839 60.142 62.100 -0.198 0.000 1.024 198 T CB 1.737 70.402 68.868 -0.339 0.000 1.140 198 T HN -0.176 nan 8.240 nan 0.000 0.473 199 P HA 0.043 nan 4.420 nan 0.000 0.216 199 P C 0.371 177.648 177.300 -0.038 0.000 1.153 199 P CA 0.550 63.629 63.100 -0.036 0.000 0.848 199 P CB 0.041 31.725 31.700 -0.026 0.000 0.787 200 V N 1.329 121.218 119.914 -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 0.094 62.372 62.300 -0.038 0.000 1.211 200 V CB -0.397 31.410 31.823 -0.026 0.000 1.338 200 V HN -0.175 nan 8.190 nan 0.000 0.499 201 V N 6.636 126.526 119.914 -0.041 0.000 2.347 201 V HA 0.414 4.534 4.120 0.000 0.000 0.280 201 V C 0.036 176.103 176.094 -0.045 0.000 1.021 201 V CA -0.354 61.919 62.300 -0.046 0.000 0.847 201 V CB 1.657 33.465 31.823 -0.024 0.000 0.990 201 V HN 0.621 nan 8.190 nan 0.000 0.444 202 L N 7.887 129.060 121.223 -0.084 0.000 2.502 202 L HA 0.393 4.733 4.340 0.000 0.000 0.247 202 L C -2.345 174.398 176.870 -0.212 0.000 1.180 202 L CA -1.394 53.400 54.840 -0.077 0.000 0.956 202 L CB 1.681 43.742 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 -0.796 176.440 177.300 -0.105 0.000 1.262 203 P CA -0.381 62.641 63.100 -0.130 0.000 0.773 203 P CB 1.416 33.165 31.700 0.082 0.000 0.879 204 R N 1.489 121.874 120.500 -0.191 0.000 2.536 204 R HA 0.344 4.684 4.340 0.000 0.000 0.269 204 R C -0.149 176.154 176.300 0.004 0.000 1.113 204 R CA -0.375 55.661 56.100 -0.107 0.000 0.948 204 R CB 1.564 31.718 30.300 -0.243 0.000 1.237 204 R HN 0.565 nan 8.270 nan 0.000 0.441 205 S N 2.720 118.422 115.700 0.003 0.000 2.600 205 S HA 0.611 5.081 4.470 0.000 0.000 0.265 205 S C -0.425 174.191 174.600 0.026 0.000 1.325 205 S CA -0.519 57.708 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 0.437 121.691 121.223 0.050 0.000 2.612 206 L HA 0.521 4.861 4.340 0.000 0.000 0.256 206 L C -1.926 174.889 176.870 -0.092 0.000 0.949 206 L CA -0.340 54.427 54.840 -0.123 0.000 0.867 206 L CB 2.196 44.040 42.059 -0.358 0.000 1.417 206 L HN 0.840 nan 8.230 nan 0.000 0.414 207 D N 2.232 122.531 120.400 -0.168 0.000 2.411 207 D HA 0.261 4.901 4.640 0.000 0.000 0.225 207 D C 0.349 176.565 176.300 -0.141 0.000 1.156 207 D CA 0.248 54.207 54.000 -0.070 0.000 0.874 207 D CB 0.232 40.997 40.800 -0.059 0.000 1.034 207 D HN 0.408 nan 8.370 nan 0.000 0.502 208 F N 1.024 120.961 119.950 -0.021 0.000 2.789 208 F HA -0.025 4.502 4.527 0.000 0.000 0.300 208 F C 2.562 178.354 175.800 -0.014 0.000 1.132 208 F CA 0.516 58.505 58.000 -0.018 0.000 1.404 208 F CB -0.038 38.956 39.000 -0.009 0.000 1.114 208 F HN 0.386 nan 8.300 nan 0.000 0.584 209 T N -2.123 112.508 114.554 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 0.940 63.084 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 0.227 nan 8.240 nan 0.000 0.455 210 E N 1.096 121.299 120.200 0.005 0.000 2.014 210 E HA 0.380 4.730 4.350 0.000 0.000 0.275 210 E C 0.649 177.226 176.600 -0.038 0.000 0.997 210 E CA -0.295 56.094 56.400 -0.017 0.000 0.804 210 E CB 1.026 30.705 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 -0.167 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 55.673 54.840 -0.009 0.000 0.752 211 L CB -0.146 41.932 42.059 0.032 0.000 0.906 211 L HN 0.440 nan 8.230 nan 0.000 0.436 212 D N 0.051 120.435 120.400 -0.027 0.000 2.104 212 D HA -0.158 4.482 4.640 0.000 0.000 0.194 212 D C 2.300 178.569 176.300 -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 40.537 40.800 -0.018 0.000 0.959 212 D HN 0.112 nan 8.370 nan 0.000 0.452 213 V N 1.075 120.951 119.914 -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 -0.129 0.000 1.055 213 V CA 1.482 63.734 62.300 -0.081 0.000 1.065 213 V CB -0.661 31.118 31.823 -0.073 0.000 0.681 213 V HN 0.166 nan 8.190 nan 0.000 0.462 214 A N 0.331 123.046 122.820 -0.175 0.000 1.873 214 A HA -0.033 4.287 4.320 0.000 0.000 0.215 214 A C 2.451 179.888 177.584 -0.246 0.000 1.186 214 A CA 1.852 53.714 52.037 -0.292 0.000 0.616 214 A CB -0.836 17.893 19.000 -0.451 0.000 0.823 214 A HN 0.525 nan 8.150 nan 0.000 0.442 215 A N 0.846 123.571 122.820 -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 1.909 53.882 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 0.802 nan 8.150 nan 0.000 0.445 216 E N -1.050 119.104 120.200 -0.077 0.000 2.107 216 E HA -0.161 4.189 4.350 0.000 0.000 0.191 216 E C 1.703 178.262 176.600 -0.067 0.000 0.982 216 E CA 1.011 57.378 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 0.526 120.867 120.400 -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 0.449 56.677 56.287 -0.098 0.000 0.956 217 K CB -0.235 32.190 32.500 -0.126 0.000 0.735 217 K HN 0.197 nan 8.250 nan 0.000 0.451 218 I N 2.116 122.567 120.570 -0.198 0.000 2.361 218 I HA -0.245 3.925 4.170 0.000 0.000 0.251 218 I C 1.501 177.550 176.117 -0.113 0.000 1.133 218 I CA 1.549 62.680 61.300 -0.282 0.000 1.413 218 I CB -0.047 37.700 38.000 -0.422 0.000 1.073 218 I HN 0.083 nan 8.210 nan 0.000 0.424 219 D N 0.105 120.468 120.400 -0.061 0.000 2.123 219 D HA -0.124 4.516 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 0.988 54.979 54.000 -0.015 0.000 0.831 219 D CB -0.140 40.663 40.800 0.005 0.000 0.974 219 D HN 0.335 nan 8.370 nan 0.000 0.469 220 R N -0.236 120.250 120.500 -0.025 0.000 2.120 220 R HA -0.105 4.235 4.340 0.000 0.000 0.234 220 R C 2.226 178.516 176.300 -0.017 0.000 1.123 220 R CA 0.720 56.804 56.100 -0.027 0.000 0.975 220 R CB -0.320 29.970 30.300 -0.018 0.000 0.866 220 R HN 0.204 nan 8.270 nan 0.000 0.446 221 F N 0.681 120.553 119.950 -0.131 0.000 2.074 221 F HA -0.184 4.343 4.527 0.000 0.000 0.293 221 F C 2.177 177.885 175.800 -0.153 0.000 1.116 221 F CA 1.286 59.215 58.000 -0.118 0.000 1.212 221 F CB 0.005 38.953 39.000 -0.087 0.000 0.998 221 F HN -0.149 nan 8.300 nan 0.000 0.471 222 M N 0.507 119.979 119.600 -0.214 0.000 2.067 222 M HA -0.237 4.243 4.480 0.000 0.000 0.260 222 M C 2.169 178.182 176.300 -0.479 0.000 1.069 222 M CA 1.722 56.761 55.300 -0.435 0.000 1.117 222 M CB -1.567 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 -0.106 4.234 4.340 0.000 0.000 0.205 223 Q C 2.135 177.919 176.000 -0.360 0.000 0.980 223 Q CA 1.614 57.232 55.803 -0.309 0.000 0.862 223 Q CB -0.267 28.375 28.738 -0.160 0.000 0.905 223 Q HN 0.577 nan 8.270 nan 0.000 0.429 224 A N 0.158 122.774 122.820 -0.340 0.000 1.872 224 A HA -0.101 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 1.145 52.983 52.037 -0.331 0.000 0.614 224 A CB -0.459 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 0.438 119.992 119.914 -0.601 0.000 2.323 225 V HA -0.188 3.932 4.120 0.000 0.000 0.244 225 V C 2.984 178.715 176.094 -0.606 0.000 1.041 225 V CA 2.403 64.331 62.300 -0.620 0.000 1.025 225 V CB -1.263 30.053 31.823 -0.844 0.000 0.656 225 V HN 0.832 nan 8.190 nan 0.000 0.451 226 T N -2.014 112.086 114.554 -0.757 0.000 2.735 226 T HA 0.196 4.546 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 1.268 62.676 62.100 -1.153 0.000 1.147 226 T CB -0.211 67.788 68.868 -1.448 0.000 0.865 226 T HN 1.227 nan 8.240 nan 0.000 0.421 227 G N 0.977 109.151 108.800 -1.042 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 -0.417 174.163 174.900 -0.535 0.000 1.027 227 G CA -0.235 44.455 45.100 -0.684 0.000 0.717 227 G HN 1.035 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 -0.333 0.000 1.201 228 W CA -2.453 54.584 57.345 -0.513 0.000 1.212 228 W CB 0.670 29.592 29.460 -0.897 0.000 1.355 228 W HN 0.038 nan 8.180 nan 0.000 0.515 229 K N 2.825 123.217 120.400 -0.014 0.000 2.382 229 K HA 0.290 4.610 4.320 0.000 0.000 0.286 229 K C 0.425 177.209 176.600 0.306 0.000 1.062 229 K CA 0.193 56.563 56.287 0.139 0.000 1.000 229 K CB 0.119 32.725 32.500 0.177 0.000 0.954 229 K HN 0.493 nan 8.250 nan 0.000 0.470 230 T N -0.753 113.983 114.554 0.302 0.000 2.909 230 T HA 0.363 4.713 4.350 0.000 0.000 0.286 230 T C 0.849 175.717 174.700 0.280 0.000 1.002 230 T CA -1.045 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 1.861 110.820 108.800 0.265 0.000 2.852 231 G HA2 0.403 4.363 3.960 0.000 0.000 0.280 231 G HA3 0.403 4.363 3.960 0.000 0.000 0.280 231 G C 0.540 175.529 174.900 0.148 0.000 0.731 231 G CA -0.452 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 -0.522 118.856 119.300 0.130 0.000 0.168 232 C HA 0.056 4.516 4.460 0.000 0.000 0.017 232 C C 0.717 175.758 174.990 0.084 0.000 0.171 232 C CA -0.062 59.008 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 1.158 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 -0.498 174.108 174.600 0.009 0.000 1.150 233 S CA 0.286 58.514 58.200 0.047 0.000 0.849 233 S CB 1.159 64.424 63.200 0.107 0.000 1.113 233 S HN 2.434 nan 8.310 nan 0.000 0.458 234 L N 1.861 123.094 121.223 0.017 0.000 3.865 234 L HA -0.091 4.249 4.340 0.000 0.000 0.408 234 L C -0.246 176.631 176.870 0.013 0.000 1.209 234 L CA 0.828 55.687 54.840 0.031 0.000 0.940 234 L CB -0.938 41.129 42.059 0.012 0.000 1.971 234 L HN 0.816 nan 8.230 nan 0.000 0.899 235 M N 0.593 120.178 119.600 -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 1.111 56.385 55.300 -0.045 0.000 1.116 235 M CB 0.215 32.736 32.600 -0.132 0.000 1.632 235 M HN 0.647 nan 8.290 nan 0.000 0.469 236 G N 4.066 112.873 108.800 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 0.035 0.000 0.755 236 G HN 1.190 nan 8.290 nan 0.000 0.507 237 A N -0.263 122.584 122.820 0.046 0.000 2.309 237 A HA 0.839 5.159 4.320 0.000 0.000 0.298 237 A C 0.721 178.343 177.584 0.062 0.000 1.165 237 A CA 0.773 52.846 52.037 0.061 0.000 0.821 237 A CB 1.129 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 0.991 116.720 115.700 0.047 0.000 2.600 238 S HA 0.238 4.708 4.470 0.000 0.000 0.265 238 S C 1.393 176.029 174.600 0.059 0.000 1.325 238 S CA -0.305 57.920 58.200 0.041 0.000 1.002 238 S CB 0.651 63.864 63.200 0.023 0.000 0.921 238 S HN 0.630 nan 8.310 nan 0.000 0.554 239 V N 1.771 121.717 119.914 0.052 0.000 2.379 239 V HA -0.034 4.086 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 1.546 63.886 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 1.050 121.467 120.400 0.029 0.000 2.688 240 D HA 0.213 4.853 4.640 0.000 0.000 0.228 240 D C -0.109 176.178 176.300 -0.022 0.000 1.116 240 D CA 0.357 54.363 54.000 0.010 0.000 1.023 240 D CB -0.040 40.763 40.800 0.005 0.000 1.100 240 D HN 0.344 nan 8.370 nan 0.000 0.487 241 S N -0.796 114.876 115.700 -0.047 0.000 2.704 241 S HA 0.568 5.038 4.470 0.000 0.000 0.296 241 S C 0.990 175.412 174.600 -0.297 0.000 1.138 241 S CA -0.549 57.555 58.200 -0.159 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 -1.842 112.459 114.554 -0.421 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 -0.283 68.464 68.868 -0.202 0.000 1.184 242 T HN 0.374 nan 8.240 nan 0.000 0.399 243 L N 2.552 123.555 121.223 -0.367 0.000 2.375 243 L HA 0.738 5.078 4.340 0.000 0.000 0.271 243 L C -0.915 175.857 176.870 -0.164 0.000 1.107 243 L CA -0.337 54.384 54.840 -0.198 0.000 0.806 243 L CB 0.941 42.946 42.059 -0.090 0.000 1.146 243 L HN 0.615 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 -1.005 176.775 177.584 0.326 0.000 1.153 244 A CA -0.456 51.714 52.037 0.221 0.000 0.780 244 A CB -0.191 19.057 19.000 0.412 0.000 1.258 244 A HN 0.604 nan 8.150 nan 0.000 0.460 245 F N 2.571 122.591 119.950 0.117 0.000 2.464 245 F HA 0.371 4.898 4.527 0.000 0.000 0.353 245 F C -0.267 175.617 175.800 0.141 0.000 1.191 245 F CA 0.038 58.114 58.000 0.127 0.000 1.147 245 F CB 0.237 39.281 39.000 0.073 0.000 1.294 245 F HN 0.470 nan 8.300 nan 0.000 0.583 246 N N 3.236 122.015 118.700 0.132 0.000 2.446 246 N HA 0.251 4.991 4.740 0.000 0.000 0.265 246 N C -0.757 174.824 175.510 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 40.281 38.487 0.322 0.000 1.160 246 N HN 0.290 nan 8.380 nan 0.000 0.495 247 T N 2.153 116.746 114.554 0.063 0.000 2.817 247 T HA 0.303 4.653 4.350 0.000 0.000 0.293 247 T C -0.529 174.181 174.700 0.016 0.000 0.964 247 T CA 0.119 62.299 62.100 0.134 0.000 1.085 247 T CB 0.158 69.154 68.868 0.214 0.000 0.921 247 T HN 0.253 nan 8.240 nan 0.000 0.502 248 Y N 1.544 121.951 120.300 0.177 0.000 2.326 248 Y HA 0.565 5.115 4.550 0.000 0.000 0.331 248 Y C 0.027 176.096 175.900 0.281 0.000 0.962 248 Y CA -0.901 57.349 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 4.023 124.166 119.914 0.382 0.000 2.715 249 V HA 0.556 4.676 4.120 0.000 0.000 0.310 249 V C -1.582 174.674 176.094 0.270 0.000 1.054 249 V CA -0.564 61.941 62.300 0.342 0.000 0.928 249 V CB 1.920 33.959 31.823 0.360 0.000 1.007 249 V HN 0.876 nan 8.190 nan 0.000 0.437 250 H N 4.933 123.988 119.070 -0.024 0.000 2.924 250 H HA 0.509 5.065 4.556 0.000 0.000 0.333 250 H C -1.982 173.249 175.328 -0.162 0.000 0.979 250 H CA -0.495 55.340 56.048 -0.355 0.000 1.326 250 H CB 1.470 30.360 29.762 -1.452 0.000 1.600 250 H HN 0.619 nan 8.280 nan 0.000 0.520 251 F N 4.789 124.286 119.950 -0.754 0.000 2.411 251 F HA 0.361 4.888 4.527 0.000 0.000 0.352 251 F C -0.621 174.590 175.800 -0.983 0.000 1.123 251 F CA -0.422 57.119 58.000 -0.765 0.000 1.044 251 F CB 1.369 39.823 39.000 -0.910 0.000 1.135 251 F HN 0.624 nan 8.300 nan 0.000 0.461 252 Q N 3.950 122.977 119.800 -1.287 0.000 2.282 252 Q HA 0.618 4.958 4.340 0.000 0.000 0.260 252 Q C -0.751 174.482 176.000 -1.278 0.000 0.964 252 Q CA -0.820 54.413 55.803 -0.950 0.000 0.880 252 Q CB 1.790 30.219 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 -1.024 173.705 174.900 -0.287 0.000 1.611 253 G CA -0.504 44.194 45.100 -0.669 0.000 0.991 253 G HN 0.477 nan 8.290 nan 0.000 0.508 254 K N 1.744 122.003 120.400 -0.234 0.000 2.276 254 K HA 0.430 4.750 4.320 0.000 0.000 0.283 254 K C 0.094 176.772 176.600 0.129 0.000 1.044 254 K CA 0.104 56.362 56.287 -0.049 0.000 0.944 254 K CB 1.452 33.923 32.500 -0.049 0.000 1.012 254 K HN 0.363 nan 8.250 nan 0.000 0.472 255 M N 3.245 122.893 119.600 0.079 0.000 2.072 255 M HA 0.263 4.743 4.480 0.000 0.000 0.331 255 M C -0.356 176.105 176.300 0.268 0.000 1.004 255 M CA -0.555 54.788 55.300 0.071 0.000 0.952 255 M CB 1.451 33.744 32.600 -0.511 0.000 1.511 255 M HN 0.241 nan 8.290 nan 0.000 0.422 256 K N 1.370 121.950 120.400 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 0.380 0.000 1.018 256 K CA 0.482 56.939 56.287 0.284 0.000 0.962 256 K CB 0.825 33.436 32.500 0.185 0.000 0.953 256 K HN 0.999 nan 8.250 nan 0.000 0.475 257 G N 2.387 111.320 108.800 0.222 0.000 2.171 257 G HA2 -0.241 3.719 3.960 0.000 0.000 0.238 257 G HA3 -0.241 3.719 3.960 0.000 0.000 0.238 257 G C -0.535 174.235 174.900 -0.216 0.000 1.039 257 G CA -0.358 44.755 45.100 0.022 0.000 0.759 257 G HN 0.465 nan 8.290 nan 0.000 0.501 258 F N -0.316 119.666 119.950 0.052 0.000 2.613 258 F HA 0.787 5.314 4.527 0.000 0.000 0.314 258 F C 0.354 176.170 175.800 0.027 0.000 1.075 258 F CA -0.754 57.266 58.000 0.033 0.000 0.945 258 F CB 2.539 41.554 39.000 0.025 0.000 1.310 258 F HN 0.092 nan 8.300 nan 0.000 0.467 259 S N 2.115 117.937 115.700 0.203 0.000 2.533 259 S HA 0.412 4.882 4.470 0.000 0.000 0.271 259 S C -1.816 172.848 174.600 0.106 0.000 1.143 259 S CA -0.632 57.639 58.200 0.120 0.000 0.891 259 S CB 2.076 65.318 63.200 0.070 0.000 1.105 259 S HN 0.560 nan 8.310 nan 0.000 0.468 260 L N 3.865 125.135 121.223 0.079 0.000 2.380 260 L HA 0.501 4.841 4.340 0.000 0.000 0.273 260 L C -1.165 175.736 176.870 0.053 0.000 1.138 260 L CA -0.195 54.682 54.840 0.063 0.000 0.832 260 L CB 0.149 42.237 42.059 0.048 0.000 1.124 260 L HN 0.669 nan 8.230 nan 0.000 0.454 261 L N 5.462 126.716 121.223 0.052 0.000 2.289 261 L HA 0.349 4.689 4.340 0.000 0.000 0.285 261 L C 1.333 178.223 176.870 0.034 0.000 1.049 261 L CA -0.453 54.413 54.840 0.043 0.000 0.804 261 L CB 1.362 43.448 42.059 0.045 0.000 1.195 261 L HN 0.789 nan 8.230 nan 0.000 0.428 262 A N 2.239 125.075 122.820 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 1.315 121.524 120.200 0.015 0.000 2.146 263 E HA 0.342 4.692 4.350 0.000 0.000 0.282 263 E C -2.664 173.941 176.600 0.008 0.000 0.989 263 E CA -2.212 54.192 56.400 0.008 0.000 0.799 263 E CB 0.854 30.557 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 0.192 177.467 177.300 -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 33.137 31.700 0.003 0.000 0.920 265 Q N 3.123 122.881 119.800 -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 1.043 56.743 55.803 -0.172 0.000 0.892 265 Q CB -0.301 28.309 28.738 -0.213 0.000 0.983 265 Q HN 0.716 nan 8.270 nan 0.000 0.482 266 E N -2.805 117.213 120.200 -0.302 0.000 8.710 266 E HA -0.216 4.134 4.350 0.000 0.000 0.468 266 E C -1.459 174.686 176.600 -0.759 0.000 1.162 266 E CA 0.563 56.747 56.400 -0.359 0.000 2.026 266 E CB -1.301 28.147 29.700 -0.419 0.000 1.008 266 E HN 0.124 nan 8.360 nan 0.000 0.263 267 F N -0.042 119.596 119.950 -0.520 0.000 2.629 267 F HA 0.638 5.165 4.527 0.000 0.000 0.316 267 F C -0.376 175.123 175.800 -0.502 0.000 1.081 267 F CA -0.637 57.142 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 2.475 123.892 121.300 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 -0.567 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 2.814 122.858 119.914 0.217 0.000 2.594 269 V HA -0.206 3.914 4.120 0.000 0.000 0.253 269 V C 0.257 176.434 176.094 0.138 0.000 1.069 269 V CA 2.339 64.719 62.300 0.134 0.000 1.082 269 V CB -0.226 31.630 31.823 0.054 0.000 0.680 269 V HN 0.648 nan 8.190 nan 0.000 0.469 270 D N -3.028 117.476 120.400 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 41.030 40.800 0.098 0.000 1.431 270 D HN 0.008 nan 8.370 nan 0.000 0.436 271 N N 0.527 119.292 118.700 0.109 0.000 2.184 271 N HA -0.297 4.443 4.740 0.000 0.000 0.190 271 N C 1.213 176.784 175.510 0.102 0.000 1.011 271 N CA 2.320 55.404 53.050 0.056 0.000 0.867 271 N CB -0.761 37.734 38.487 0.014 0.000 0.993 271 N HN 0.491 nan 8.380 nan 0.000 0.433 272 S N -0.460 115.315 115.700 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 0.573 58.848 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 1.783 116.440 114.554 0.171 0.000 2.904 273 T HA 0.623 4.973 4.350 0.000 0.000 0.290 273 T C -0.015 174.769 174.700 0.139 0.000 1.018 273 T CA -0.296 61.882 62.100 0.130 0.000 1.075 273 T CB 1.295 70.209 68.868 0.078 0.000 0.986 273 T HN 0.597 nan 8.240 nan 0.000 0.523 274 S N 0.202 115.896 115.700 -0.010 0.000 2.634 274 S HA 0.796 5.266 4.470 0.000 0.000 0.296 274 S C -1.083 173.408 174.600 -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 -0.344 0.000 1.111 274 S HN 0.841 nan 8.310 nan 0.000 0.493 275 V N 1.148 120.918 119.914 -0.240 0.000 2.733 275 V HA 0.559 4.679 4.120 0.000 0.000 0.306 275 V C -0.118 175.913 176.094 -0.105 0.000 1.084 275 V CA -0.759 61.471 62.300 -0.116 0.000 0.905 275 V CB 1.868 33.660 31.823 -0.051 0.000 1.010 275 V HN 1.015 nan 8.190 nan 0.000 0.424 276 S N 3.581 119.239 115.700 -0.071 0.000 2.455 276 S HA 0.644 5.114 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 0.221 63.397 63.200 -0.039 0.000 0.939 276 S HN 0.593 nan 8.310 nan 0.000 0.494 277 V N 7.576 127.526 119.914 0.059 0.000 3.120 277 V HA 0.548 4.668 4.120 0.000 0.000 0.303 277 V C -2.125 174.056 176.094 0.146 0.000 1.238 277 V CA -1.657 60.701 62.300 0.098 0.000 1.008 277 V CB 2.571 34.462 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 -0.958 176.445 177.300 0.172 0.000 1.286 278 P CA -0.227 62.930 63.100 0.096 0.000 0.777 278 P CB 0.823 32.549 31.700 0.044 0.000 1.184 279 M N -1.190 118.487 119.600 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 -0.643 54.748 55.300 0.152 0.000 0.833 279 M CB 1.873 34.556 32.600 0.138 0.000 1.708 279 M HN 0.198 nan 8.290 nan 0.000 0.463 280 L N 1.562 122.850 121.223 0.108 0.000 2.518 280 L HA 0.326 4.666 4.340 0.000 0.000 0.262 280 L C -0.118 176.852 176.870 0.167 0.000 0.982 280 L CA -0.559 54.365 54.840 0.139 0.000 0.873 280 L CB 1.893 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 1.065 116.828 115.700 0.104 0.000 2.548 281 S HA 0.720 5.190 4.470 0.000 0.000 0.277 281 S C 0.218 174.727 174.600 -0.151 0.000 1.315 281 S CA -0.359 57.825 58.200 -0.027 0.000 1.050 281 S CB 1.648 64.854 63.200 0.010 0.000 0.918 281 S HN 0.670 nan 8.310 nan 0.000 0.497 282 G N 2.884 111.443 108.800 -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 -0.835 173.799 174.900 -0.444 0.000 1.442 282 G CA -0.894 43.698 45.100 -0.846 0.000 1.009 282 G HN 0.568 nan 8.290 nan 0.000 0.515 283 M N 1.896 121.277 119.600 -0.365 0.000 2.125 283 M HA 0.757 5.237 4.480 0.000 0.000 0.321 283 M C 0.220 176.394 176.300 -0.210 0.000 0.983 283 M CA -1.312 53.894 55.300 -0.157 0.000 0.934 283 M CB 0.638 33.180 32.600 -0.096 0.000 1.542 283 M HN 0.920 nan 8.290 nan 0.000 0.424 284 G N 1.379 109.992 108.800 -0.311 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 -1.179 173.141 174.900 -0.967 0.000 1.547 284 G CA -0.809 43.869 45.100 -0.704 0.000 0.833 284 G HN 0.696 nan 8.290 nan 0.000 0.583 285 T N -0.107 114.003 114.554 -0.739 0.000 2.997 285 T HA 0.671 5.021 4.350 0.000 0.000 0.311 285 T C -0.117 174.323 174.700 -0.434 0.000 1.079 285 T CA -0.434 61.400 62.100 -0.442 0.000 0.982 285 T CB -0.524 68.224 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 0.800 176.686 175.800 0.144 0.000 1.079 286 F CA -1.580 56.474 58.000 0.090 0.000 1.032 286 F CB 0.927 39.972 39.000 0.075 0.000 1.327 286 F HN 0.236 nan 8.300 nan 0.000 0.491 287 Q N 0.353 120.397 119.800 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 -0.404 55.657 55.803 0.430 0.000 0.919 287 Q CB 1.261 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 1.602 120.928 119.070 0.426 0.000 3.151 288 H HA 0.396 4.952 4.556 0.000 0.000 0.333 288 H C -2.128 173.430 175.328 0.383 0.000 1.093 288 H CA -0.862 55.283 56.048 0.160 0.000 1.342 288 H CB 0.819 30.630 29.762 0.082 0.000 1.983 288 H HN 0.825 nan 8.280 nan 0.000 0.503 289 W N 3.427 124.556 121.300 -0.285 0.000 3.259 289 W HA 0.543 5.203 4.660 0.000 0.000 0.331 289 W C -1.583 174.867 176.519 -0.114 0.000 1.144 289 W CA -1.040 56.129 57.345 -0.293 0.000 1.227 289 W CB 0.862 30.253 29.460 -0.114 0.000 1.371 289 W HN 0.571 nan 8.180 nan 0.000 0.491 290 S N 1.545 117.250 115.700 0.009 0.000 2.438 290 S HA 0.270 4.740 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 -0.581 57.711 58.200 0.153 0.000 1.107 290 S CB 1.437 64.792 63.200 0.259 0.000 0.981 290 S HN 0.515 nan 8.310 nan 0.000 0.466 291 D N 2.450 122.983 120.400 0.222 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 0.097 0.000 1.214 291 D CA -0.765 53.336 54.000 0.168 0.000 0.877 291 D CB 0.425 41.314 40.800 0.148 0.000 1.111 291 D HN 0.511 nan 8.370 nan 0.000 0.478 292 I N 1.296 121.891 120.570 0.041 0.000 3.578 292 I HA 0.017 4.187 4.170 0.000 0.000 0.295 292 I C 1.615 177.741 176.117 0.015 0.000 1.280 292 I CA 0.367 61.656 61.300 -0.019 0.000 1.347 292 I CB -0.509 37.481 38.000 -0.016 0.000 1.051 292 I HN 0.286 nan 8.210 nan 0.000 0.460 293 Q N 1.530 121.354 119.800 0.041 0.000 1.990 293 Q HA -0.105 4.235 4.340 0.000 0.000 0.200 293 Q C 0.825 176.851 176.000 0.044 0.000 0.980 293 Q CA 1.711 57.536 55.803 0.037 0.000 0.832 293 Q CB -0.225 28.534 28.738 0.036 0.000 0.897 293 Q HN 0.578 nan 8.270 nan 0.000 0.427 294 D N 0.037 120.480 120.400 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 53.898 54.000 0.108 0.000 0.834 294 D CB -0.150 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 0.456 119.236 118.700 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 -0.992 37.594 38.487 0.165 0.000 0.911 295 N HN 0.197 nan 8.380 nan 0.000 0.531 296 F N 0.297 120.297 119.950 0.083 0.000 2.675 296 F HA 0.808 5.335 4.527 0.000 0.000 0.324 296 F C -0.503 175.467 175.800 0.283 0.000 1.106 296 F CA -0.134 57.969 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 0.257 nan 8.300 nan 0.000 0.489 297 S N 1.284 117.090 115.700 0.177 0.000 2.581 297 S HA 0.608 5.078 4.470 0.000 0.000 0.306 297 S C -2.179 172.451 174.600 0.049 0.000 1.080 297 S CA -0.889 57.443 58.200 0.220 0.000 0.925 297 S CB 0.649 63.994 63.200 0.243 0.000 1.128 297 S HN 0.516 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 0.777 4.897 4.120 0.000 0.000 0.301 298 V C 0.333 176.357 176.094 -0.117 0.000 1.044 298 V CA -0.164 62.092 62.300 -0.073 0.000 0.874 298 V CB 1.722 33.480 31.823 -0.108 0.000 1.002 298 V HN 1.153 nan 8.190 nan 0.000 0.424 299 T N 2.072 116.526 114.554 -0.166 0.000 2.948 299 T HA 0.879 5.229 4.350 0.000 0.000 0.285 299 T C -0.612 174.001 174.700 -0.145 0.000 1.019 299 T CA -0.727 61.276 62.100 -0.162 0.000 1.013 299 T CB 2.152 70.862 68.868 -0.262 0.000 1.117 299 T HN 0.808 nan 8.240 nan 0.000 0.533 300 Q N -0.711 119.005 119.800 -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 54.380 55.803 -0.171 0.000 0.788 300 Q CB 2.270 30.985 28.738 -0.038 0.000 1.469 300 Q HN 0.577 nan 8.270 nan 0.000 0.416 301 V N 1.697 121.372 119.914 -0.397 0.000 2.467 301 V HA 0.376 4.496 4.120 0.000 0.000 0.260 301 V C -2.689 173.085 176.094 -0.532 0.000 0.963 301 V CA -1.839 60.164 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 -0.922 176.135 177.300 -0.405 0.000 1.186 302 P CA 0.540 63.475 63.100 -0.274 0.000 0.767 302 P CB 0.139 31.837 31.700 -0.004 0.000 0.820 303 F N 1.131 121.136 119.950 0.092 0.000 2.310 303 F HA 0.260 4.787 4.527 0.000 0.000 0.365 303 F C 0.954 176.790 175.800 0.060 0.000 1.080 303 F CA -0.237 57.803 58.000 0.067 0.000 1.187 303 F CB -0.515 38.517 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 1.265 63.440 62.100 0.125 0.000 1.939 304 T CB -2.063 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 1.328 177.992 176.600 0.106 0.000 1.334 305 E CA 2.598 59.058 56.400 0.100 0.000 2.263 305 E CB -1.676 28.075 29.700 0.085 0.000 1.886 305 E HN 0.908 nan 8.360 nan 0.000 0.347 306 S N 0.406 116.158 115.700 0.088 0.000 2.426 306 S HA -0.262 4.208 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 2.181 60.419 58.200 0.064 0.000 1.219 306 S CB -0.341 62.894 63.200 0.058 0.000 1.124 306 S HN 0.674 nan 8.310 nan 0.000 0.436 307 A N -0.646 122.262 122.820 0.148 0.000 2.306 307 A HA 0.624 4.944 4.320 0.000 0.000 0.314 307 A C -0.490 177.277 177.584 0.306 0.000 1.164 307 A CA -0.381 51.800 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 0.572 nan 8.150 nan 0.000 0.496 308 C N 2.302 121.788 119.300 0.310 0.000 2.607 308 C HA 0.442 4.902 4.460 0.000 0.000 0.350 308 C C -0.619 174.506 174.990 0.226 0.000 1.101 308 C CA -0.551 58.570 59.018 0.172 0.000 1.282 308 C CB 0.898 28.754 27.740 0.193 0.000 1.825 308 C HN 0.893 nan 8.230 nan 0.000 0.460 309 L N 5.378 126.639 121.223 0.063 0.000 2.295 309 L HA 0.523 4.863 4.340 0.000 0.000 0.288 309 L C -0.528 176.390 176.870 0.079 0.000 1.079 309 L CA 0.330 55.280 54.840 0.184 0.000 0.830 309 L CB -0.063 42.111 42.059 0.191 0.000 1.200 309 L HN 0.554 nan 8.230 nan 0.000 0.438 310 L N 6.348 127.653 121.223 0.137 0.000 2.265 310 L HA 0.347 4.687 4.340 0.000 0.000 0.288 310 L C -0.702 176.239 176.870 0.117 0.000 1.058 310 L CA -0.663 54.224 54.840 0.078 0.000 0.809 310 L CB 1.006 43.106 42.059 0.069 0.000 1.179 310 L HN 0.472 nan 8.230 nan 0.000 0.429 311 L N 5.395 126.652 121.223 0.057 0.000 2.283 311 L HA 0.363 4.703 4.340 0.000 0.000 0.281 311 L C -0.206 176.703 176.870 0.066 0.000 1.033 311 L CA -0.091 54.814 54.840 0.109 0.000 0.848 311 L CB 0.955 43.000 42.059 -0.023 0.000 1.226 311 L HN 0.399 nan 8.230 nan 0.000 0.429 312 I N 2.925 123.577 120.570 0.137 0.000 2.363 312 I HA 0.163 4.333 4.170 0.000 0.000 0.292 312 I C 0.443 176.555 176.117 -0.009 0.000 1.075 312 I CA 0.396 61.720 61.300 0.041 0.000 1.333 312 I CB 0.449 38.503 38.000 0.089 0.000 1.415 312 I HN 0.586 nan 8.210 nan 0.000 0.502 313 Q N 8.919 128.636 119.800 -0.139 0.000 2.290 313 Q HA 0.420 4.760 4.340 0.000 0.000 0.259 313 Q C -2.419 173.436 176.000 -0.242 0.000 0.941 313 Q CA -2.013 53.713 55.803 -0.127 0.000 0.912 313 Q CB 1.670 30.322 28.738 -0.142 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 -0.293 177.007 177.300 -0.001 0.000 1.274 314 P CA 0.150 63.181 63.100 -0.115 0.000 0.770 314 P CB 1.007 32.704 31.700 -0.004 0.000 0.867 315 H N 3.428 122.484 119.070 -0.023 0.000 2.289 315 H HA -0.200 4.356 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 2.317 58.386 56.048 0.035 0.000 1.274 315 H CB -0.334 29.503 29.762 0.125 0.000 1.364 315 H HN 0.440 nan 8.280 nan 0.000 0.490 316 Y N -1.299 119.081 120.300 0.134 0.000 2.314 316 Y HA 0.124 4.674 4.550 0.000 0.000 0.294 316 Y C 1.917 177.835 175.900 0.031 0.000 1.119 316 Y CA 0.737 58.880 58.100 0.072 0.000 1.179 316 Y CB 0.251 38.760 38.460 0.081 0.000 1.025 316 Y HN 0.402 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 53.178 52.037 0.114 0.000 0.924 317 A CB -2.289 16.752 19.000 0.069 0.000 1.105 317 A HN 0.405 nan 8.150 nan 0.000 0.765 318 S N -0.519 115.276 115.700 0.158 0.000 2.341 318 S HA 0.092 4.562 4.470 0.000 0.000 0.216 318 S C 0.348 175.006 174.600 0.096 0.000 1.034 318 S CA 1.142 59.415 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 1.598 122.055 120.400 0.096 0.000 2.460 319 D HA 0.334 4.974 4.640 0.000 0.000 0.232 319 D C 0.722 177.091 176.300 0.114 0.000 1.079 319 D CA -0.167 53.889 54.000 0.092 0.000 0.864 319 D CB 1.333 42.176 40.800 0.073 0.000 1.048 319 D HN 0.253 nan 8.370 nan 0.000 0.523 320 L N 0.605 121.902 121.223 0.123 0.000 2.049 320 L HA -0.075 4.266 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 55.607 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 0.921 121.456 120.400 0.225 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 -0.069 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 0.008 4.328 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 0.465 56.839 56.287 0.145 0.000 0.945 322 K CB 0.025 32.589 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 -0.192 3.928 4.120 0.000 0.000 0.244 323 V C 2.416 178.689 176.094 0.298 0.000 1.041 323 V CA 1.634 64.089 62.300 0.258 0.000 1.025 323 V CB -0.368 31.561 31.823 0.178 0.000 0.656 323 V HN 0.379 nan 8.190 nan 0.000 0.451 324 E N 1.091 121.445 120.200 0.257 0.000 2.160 324 E HA -0.209 4.141 4.350 0.000 0.000 0.195 324 E C 2.234 178.954 176.600 0.200 0.000 0.991 324 E CA 1.551 58.124 56.400 0.288 0.000 0.810 324 E CB -0.444 29.487 29.700 0.384 0.000 0.742 324 E HN 0.563 nan 8.360 nan 0.000 0.466 325 G N 1.340 110.236 108.800 0.159 0.000 2.450 325 G HA2 -0.215 3.745 3.960 0.000 0.000 0.220 325 G HA3 -0.215 3.745 3.960 0.000 0.000 0.220 325 G C 1.600 176.509 174.900 0.015 0.000 1.130 325 G CA 0.700 45.828 45.100 0.047 0.000 0.760 325 G HN 0.305 nan 8.290 nan 0.000 0.557 326 L N 1.501 122.790 121.223 0.110 0.000 2.645 326 L HA 0.137 4.477 4.340 0.000 0.000 0.235 326 L C 2.290 179.189 176.870 0.048 0.000 1.150 326 L CA 0.968 55.839 54.840 0.052 0.000 0.911 326 L CB -0.125 41.968 42.059 0.057 0.000 1.077 326 L HN 0.356 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 0.660 175.304 174.700 -0.093 0.000 1.019 327 T CA -0.033 62.119 62.100 0.086 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 0.786 120.578 119.950 -0.263 0.000 2.775 328 F HA 0.461 4.988 4.527 0.000 0.000 0.313 328 F C 0.690 176.239 175.800 -0.418 0.000 1.121 328 F CA -1.051 56.822 58.000 -0.211 0.000 1.206 328 F CB 0.939 39.647 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 0.812 176.491 176.000 -0.536 0.000 1.156 329 Q CA 0.802 56.419 55.803 -0.310 0.000 0.924 329 Q CB 0.089 28.730 28.738 -0.162 0.000 1.354 329 Q HN 0.516 nan 8.270 nan 0.000 0.525 330 Q N 2.534 121.953 119.800 -0.635 0.000 2.390 330 Q HA -0.398 3.942 4.340 0.000 0.000 0.453 330 Q C 0.910 176.721 176.000 -0.315 0.000 0.629 330 Q CA 2.458 58.036 55.803 -0.374 0.000 0.939 330 Q CB -2.146 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 -0.035 4.705 4.740 0.000 0.000 0.182 331 N C 1.700 177.224 175.510 0.024 0.000 1.076 331 N CA 2.408 55.483 53.050 0.042 0.000 0.908 331 N CB -0.402 38.116 38.487 0.052 0.000 0.967 331 N HN 1.288 nan 8.380 nan 0.000 0.449 332 S N 1.190 116.847 115.700 -0.070 0.000 2.368 332 S HA -0.035 4.435 4.470 0.000 0.000 0.224 332 S C 1.881 176.498 174.600 0.028 0.000 1.029 332 S CA 0.482 58.683 58.200 0.001 0.000 0.988 332 S CB -0.434 62.718 63.200 -0.081 0.000 0.838 332 S HN 0.094 nan 8.310 nan 0.000 0.462 333 L N 2.768 123.922 121.223 -0.115 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 1.427 56.206 54.840 -0.102 0.000 0.759 333 L CB -2.221 39.734 42.059 -0.173 0.000 0.903 333 L HN 0.347 nan 8.230 nan 0.000 0.435 334 N N -1.160 117.531 118.700 -0.016 0.000 2.207 334 N HA -0.184 4.556 4.740 0.000 0.000 0.182 334 N C 1.695 177.253 175.510 0.080 0.000 1.020 334 N CA 0.789 53.814 53.050 -0.042 0.000 0.858 334 N CB -0.524 37.983 38.487 0.033 0.000 0.991 334 N HN 0.485 nan 8.380 nan 0.000 0.427 335 W N 1.558 122.859 121.300 0.000 0.000 2.699 335 W HA 0.201 4.861 4.660 0.000 0.000 0.249 335 W C 0.025 176.592 176.519 0.078 0.000 1.280 335 W CA -0.063 57.311 57.345 0.049 0.000 1.345 335 W CB -0.235 29.250 29.460 0.042 0.000 1.128 335 W HN -0.135 nan 8.180 nan 0.000 0.642 336 M N 2.573 122.254 119.600 0.135 0.000 2.982 336 M HA -0.033 4.447 4.480 0.000 0.000 0.293 336 M C 0.208 176.650 176.300 0.236 0.000 1.611 336 M CA 1.358 56.748 55.300 0.150 0.000 1.576 336 M CB -0.204 32.488 32.600 0.155 0.000 1.555 336 M HN -0.133 nan 8.290 nan 0.000 0.485 337 K N 1.566 121.939 120.400 -0.044 0.000 3.513 337 K HA 0.089 4.409 4.320 0.000 0.000 0.164 337 K C 0.519 176.733 176.600 -0.643 0.000 1.041 337 K CA -0.081 56.132 56.287 -0.123 0.000 0.761 337 K CB 0.452 32.891 32.500 -0.102 0.000 0.811 337 K HN 0.406 nan 8.250 nan 0.000 0.510 338 K N 0.616 120.228 120.400 -1.314 0.000 2.211 338 K HA -0.007 4.313 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 0.900 56.420 56.287 -1.277 0.000 0.945 338 K CB 0.029 31.592 32.500 -1.561 0.000 0.732 338 K HN 0.356 nan 8.250 nan 0.000 0.451 339 L N 1.274 121.733 121.223 -1.274 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 -0.275 0.000 1.294 339 L CA 0.732 55.285 54.840 -0.477 0.000 0.829 339 L CB -2.450 39.480 42.059 -0.216 0.000 1.628 339 L HN 0.001 nan 8.230 nan 0.000 0.868 340 S N 1.749 117.313 115.700 -0.226 0.000 2.410 340 S HA 0.575 5.045 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 57.274 58.200 -0.002 0.000 1.089 340 S CB 1.173 64.382 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 0.131 0.000 1.240 341 P CA -0.623 62.561 63.100 0.141 0.000 0.798 341 P CB 0.874 32.622 31.700 0.079 0.000 0.979 342 R N 0.039 120.627 120.500 0.147 0.000 2.664 342 R HA 0.357 4.697 4.340 0.000 0.000 0.266 342 R C -0.915 175.440 176.300 0.091 0.000 1.046 342 R CA -0.520 55.657 56.100 0.128 0.000 0.885 342 R CB 1.159 31.575 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 0.073 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 3.175 123.793 120.570 0.081 0.000 2.498 344 I HA 0.252 4.422 4.170 0.000 0.000 0.290 344 I C -0.189 176.028 176.117 0.167 0.000 1.032 344 I CA -1.125 60.266 61.300 0.152 0.000 1.073 344 I CB 1.522 39.662 38.000 0.235 0.000 1.251 344 I HN 0.841 nan 8.210 nan 0.000 0.426 345 H N 6.058 125.155 119.070 0.046 0.000 2.872 345 H HA 0.445 5.001 4.556 0.000 0.000 0.273 345 H C -0.877 174.470 175.328 0.031 0.000 1.205 345 H CA -0.164 55.899 56.048 0.025 0.000 1.342 345 H CB 0.602 30.358 29.762 -0.009 0.000 1.469 345 H HN 0.561 nan 8.280 nan 0.000 0.487 346 L N 5.249 126.339 121.223 -0.220 0.000 2.380 346 L HA 0.318 4.658 4.340 0.000 0.000 0.273 346 L C -0.504 176.191 176.870 -0.291 0.000 1.138 346 L CA 0.029 54.769 54.840 -0.165 0.000 0.832 346 L CB 0.563 42.625 42.059 0.006 0.000 1.124 346 L HN 0.863 nan 8.230 nan 0.000 0.454 347 T N 3.110 117.566 114.554 -0.164 0.000 3.170 347 T HA 0.569 4.919 4.350 0.000 0.000 0.315 347 T C -0.621 174.052 174.700 -0.045 0.000 0.967 347 T CA -0.812 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 0.615 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 0.005 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 63.097 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 2.700 122.477 119.800 -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 -0.083 0.000 1.053 350 Q CA 0.037 55.814 55.803 -0.043 0.000 0.905 350 Q CB -0.090 28.642 28.738 -0.010 0.000 1.195 350 Q HN 0.454 nan 8.270 nan 0.000 0.398 351 L N 5.018 126.185 121.223 -0.094 0.000 2.265 351 L HA 0.396 4.736 4.340 0.000 0.000 0.289 351 L C -0.230 176.576 176.870 -0.107 0.000 1.033 351 L CA -0.854 53.915 54.840 -0.118 0.000 0.814 351 L CB 1.142 43.118 42.059 -0.139 0.000 1.203 351 L HN 0.420 nan 8.230 nan 0.000 0.423 352 V N 2.840 122.673 119.914 -0.136 0.000 2.658 352 V HA 0.518 4.638 4.120 0.000 0.000 0.259 352 V C -0.720 175.215 176.094 -0.264 0.000 0.933 352 V CA -0.424 61.757 62.300 -0.197 0.000 0.871 352 V CB 0.848 32.612 31.823 -0.099 0.000 1.062 352 V HN 0.598 nan 8.190 nan 0.000 0.479 353 L N 3.573 124.591 121.223 -0.342 0.000 2.409 353 L HA 0.675 5.015 4.340 0.000 0.000 0.262 353 L C 0.087 176.764 176.870 -0.320 0.000 0.992 353 L CA -0.764 53.919 54.840 -0.261 0.000 0.817 353 L CB 2.642 44.617 42.059 -0.140 0.000 1.350 353 L HN 0.696 nan 8.230 nan 0.000 0.411 354 Q N 1.505 121.234 119.800 -0.120 0.000 2.247 354 Q HA 0.688 5.028 4.340 0.000 0.000 0.184 354 Q C -0.333 175.749 176.000 0.136 0.000 1.067 354 Q CA -0.447 55.411 55.803 0.091 0.000 1.115 354 Q CB 1.501 30.407 28.738 0.279 0.000 1.147 354 Q HN 0.718 nan 8.270 nan 0.000 0.599 355 G N 0.226 109.161 108.800 0.226 0.000 1.895 355 G HA2 0.378 4.338 3.960 0.000 0.000 0.302 355 G HA3 0.378 4.338 3.960 0.000 0.000 0.302 355 G C -1.421 173.659 174.900 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 0.462 116.338 115.700 0.293 0.000 2.593 356 S HA 0.926 5.396 4.470 0.000 0.000 0.297 356 S C -0.940 173.889 174.600 0.381 0.000 1.112 356 S CA -0.582 57.739 58.200 0.203 0.000 1.043 356 S CB 1.214 64.475 63.200 0.102 0.000 1.054 356 S HN 1.188 nan 8.310 nan 0.000 0.516 357 Y N -0.953 119.450 120.300 0.172 0.000 2.376 357 Y HA 0.509 5.059 4.550 0.000 0.000 0.321 357 Y C -1.417 174.561 175.900 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 39.083 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 -0.251 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 3.542 124.841 121.223 0.126 0.000 2.079 359 L HA -0.213 4.128 4.340 0.000 0.000 0.210 359 L C 2.279 179.249 176.870 0.168 0.000 1.081 359 L CA 1.558 56.499 54.840 0.168 0.000 0.752 359 L CB -0.840 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 -1.298 118.586 119.800 0.140 0.000 2.224 360 Q HA -0.183 4.157 4.340 0.000 0.000 0.203 360 Q C 1.100 177.182 176.000 0.135 0.000 0.970 360 Q CA 1.435 57.351 55.803 0.188 0.000 0.865 360 Q CB -0.130 28.717 28.738 0.181 0.000 0.922 360 Q HN 0.372 nan 8.270 nan 0.000 0.445 361 D N 0.934 121.411 120.400 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 0.288 54.356 54.000 0.113 0.000 0.863 361 D CB 0.047 40.933 40.800 0.144 0.000 0.973 361 D HN 0.166 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 0.062 4.402 4.340 0.000 0.000 0.208 362 L C 0.325 177.226 176.870 0.051 0.000 1.085 362 L CA 1.009 55.911 54.840 0.104 0.000 0.755 362 L CB -0.237 41.943 42.059 0.200 0.000 0.904 362 L HN -0.052 nan 8.230 nan 0.000 0.435 363 L N 0.131 121.398 121.223 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 0.133 nan 8.230 nan 0.000 0.427 364 A N 2.082 124.897 122.820 -0.008 0.000 2.567 364 A HA 0.455 4.775 4.320 0.000 0.000 0.291 364 A C -0.126 177.440 177.584 -0.029 0.000 1.048 364 A CA 0.134 52.163 52.037 -0.014 0.000 0.661 364 A CB 1.583 20.580 19.000 -0.005 0.000 1.288 364 A HN 0.748 nan 8.150 nan 0.000 0.424 365 Q N -1.404 118.382 119.800 -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 3.262 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 2.164 nan 8.270 nan 0.000 0.363 366 A N -0.180 122.623 122.820 -0.028 0.000 1.898 366 A HA -0.164 4.156 4.320 0.000 0.000 0.216 366 A C 1.563 179.137 177.584 -0.017 0.000 1.181 366 A CA 2.094 54.118 52.037 -0.021 0.000 0.620 366 A CB -0.264 18.719 19.000 -0.028 0.000 0.819 366 A HN 0.576 nan 8.150 nan 0.000 0.442 367 E N -0.594 119.593 120.200 -0.022 0.000 2.434 367 E HA 0.122 4.472 4.350 0.000 0.000 0.207 367 E C 0.509 177.084 176.600 -0.041 0.000 0.929 367 E CA 0.299 56.684 56.400 -0.025 0.000 1.001 367 E CB 0.202 29.891 29.700 -0.018 0.000 1.016 367 E HN 0.538 nan 8.360 nan 0.000 0.502 368 L N -0.289 120.911 121.223 -0.038 0.000 3.965 368 L HA -0.162 4.178 4.340 0.000 0.000 0.476 368 L C -1.653 175.162 176.870 -0.091 0.000 1.201 368 L CA 0.600 55.413 54.840 -0.046 0.000 0.710 368 L CB -1.779 40.259 42.059 -0.035 0.000 1.509 368 L HN 0.133 nan 8.230 nan 0.000 0.815 369 P HA -0.047 nan 4.420 nan 0.000 0.224 369 P C 1.782 178.842 177.300 -0.401 0.000 1.157 369 P CA 1.815 64.705 63.100 -0.351 0.000 0.799 369 P CB 0.332 31.827 31.700 -0.341 0.000 0.809 370 A N 0.850 123.634 122.820 -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 1.984 54.074 52.037 0.088 0.000 0.647 370 A CB -1.679 17.367 19.000 0.077 0.000 0.825 370 A HN 0.169 nan 8.150 nan 0.000 0.456 371 I N -1.174 119.374 120.570 -0.036 0.000 2.202 371 I HA -0.197 3.973 4.170 0.000 0.000 0.242 371 I C 2.372 178.453 176.117 -0.060 0.000 1.091 371 I CA 1.242 62.521 61.300 -0.035 0.000 1.368 371 I CB -0.317 37.661 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 -0.211 4.129 4.340 0.000 0.000 0.212 372 L C 2.500 179.293 176.870 -0.127 0.000 1.103 372 L CA 1.970 56.717 54.840 -0.154 0.000 0.769 372 L CB -0.921 41.009 42.059 -0.215 0.000 0.908 372 L HN 0.241 nan 8.230 nan 0.000 0.438 373 H N -0.709 118.352 119.070 -0.016 0.000 2.333 373 H HA 0.005 4.561 4.556 0.000 0.000 0.302 373 H C 1.917 177.227 175.328 -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 28.891 29.762 -0.018 0.000 1.393 373 H HN 0.491 nan 8.280 nan 0.000 0.509 374 T N -0.827 113.786 114.554 0.099 0.000 3.215 374 T HA 0.005 4.355 4.350 0.000 0.000 0.254 374 T C 0.766 175.470 174.700 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 0.026 nan 8.240 nan 0.000 0.534 375 E N 0.913 121.113 120.200 -0.000 0.000 2.373 375 E HA 0.303 4.653 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 -0.622 55.767 56.400 -0.019 0.000 0.894 375 E CB 0.840 30.522 29.700 -0.030 0.000 1.008 375 E HN 0.239 nan 8.360 nan 0.000 0.420 376 L N 3.155 124.360 121.223 -0.030 0.000 2.131 376 L HA -0.090 4.250 4.340 0.000 0.000 0.210 376 L C -0.140 176.712 176.870 -0.031 0.000 1.092 376 L CA 1.114 55.935 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 0.463 nan 8.230 nan 0.000 0.435 377 N N 0.152 118.838 118.700 -0.024 0.000 2.402 377 N HA 0.235 4.975 4.740 0.000 0.000 0.259 377 N C -0.172 175.325 175.510 -0.022 0.000 1.167 377 N CA 0.059 53.100 53.050 -0.015 0.000 0.949 377 N CB 1.147 39.642 38.487 0.013 0.000 1.212 377 N HN 0.127 nan 8.380 nan 0.000 0.493 378 L N 0.772 121.969 121.223 -0.043 0.000 2.692 378 L HA 0.213 4.553 4.340 0.000 0.000 0.175 378 L C 1.497 178.316 176.870 -0.085 0.000 1.112 378 L CA 0.224 55.022 54.840 -0.070 0.000 0.908 378 L CB -0.750 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 1.717 177.658 176.000 -0.097 0.000 2.887 379 Q CA 2.491 58.248 55.803 -0.077 0.000 0.316 379 Q CB -1.233 27.475 28.738 -0.049 0.000 0.508 379 Q HN 0.372 nan 8.270 nan 0.000 0.415 380 K N 0.787 121.140 120.400 -0.079 0.000 2.293 380 K HA -0.116 4.204 4.320 0.000 0.000 0.204 380 K C 2.043 178.578 176.600 -0.110 0.000 1.045 380 K CA 1.568 57.826 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 0.386 121.427 121.223 -0.303 0.000 2.262 381 L HA 0.012 4.352 4.340 0.000 0.000 0.197 381 L C 0.553 177.204 176.870 -0.365 0.000 1.073 381 L CA 0.210 54.666 54.840 -0.640 0.000 0.800 381 L CB 0.205 41.641 42.059 -1.038 0.000 0.987 381 L HN -0.015 nan 8.230 nan 0.000 0.470 382 S N -0.088 115.459 115.700 -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 3.439 122.082 118.700 -0.095 0.000 2.148 383 N HA -0.030 4.710 4.740 0.000 0.000 0.186 383 N C 0.144 175.624 175.510 -0.051 0.000 1.031 383 N CA 1.244 54.257 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 -0.217 120.158 120.400 -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 53.637 54.000 -0.031 0.000 1.085 384 D CB 0.414 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 0.382 120.858 120.500 -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 56.125 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 3.831 124.360 120.570 -0.070 0.000 2.336 386 I HA 0.278 4.448 4.170 0.000 0.000 0.292 386 I C 0.173 176.246 176.117 -0.073 0.000 0.991 386 I CA -0.558 60.691 61.300 -0.085 0.000 1.227 386 I CB 1.132 39.075 38.000 -0.095 0.000 1.366 386 I HN 0.460 nan 8.210 nan 0.000 0.466 387 R N 5.561 126.007 120.500 -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 -0.557 55.498 56.100 -0.075 0.000 1.040 387 R CB 2.202 32.464 30.300 -0.063 0.000 1.176 387 R HN 0.400 nan 8.270 nan 0.000 0.518 388 V N 2.919 122.786 119.914 -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 0.973 63.217 62.300 -0.093 0.000 1.084 388 V CB 1.179 32.952 31.823 -0.084 0.000 0.953 388 V HN 0.905 nan 8.190 nan 0.000 0.483 389 G N 5.568 114.310 108.800 -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 0.707 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 -2.008 118.203 120.200 0.017 0.000 2.375 390 E HA 0.471 4.821 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 -1.000 55.414 56.400 0.023 0.000 0.782 390 E CB 2.117 31.841 29.700 0.040 0.000 1.229 390 E HN 0.065 nan 8.360 nan 0.000 0.439 391 V N 4.357 124.270 119.914 -0.002 0.000 2.266 391 V HA 0.388 4.508 4.120 0.000 0.000 0.266 391 V C -1.082 175.026 176.094 0.024 0.000 1.036 391 V CA -0.472 61.848 62.300 0.033 0.000 0.828 391 V CB 0.468 32.231 31.823 -0.100 0.000 1.081 391 V HN 0.752 nan 8.190 nan 0.000 0.449 392 L N 5.133 126.365 121.223 0.015 0.000 2.334 392 L HA 0.617 4.957 4.340 0.000 0.000 0.277 392 L C -0.171 176.575 176.870 -0.206 0.000 1.075 392 L CA -0.246 54.528 54.840 -0.110 0.000 0.804 392 L CB 1.385 43.369 42.059 -0.125 0.000 1.174 392 L HN 0.556 nan 8.230 nan 0.000 0.438 393 N N 1.747 120.191 118.700 -0.427 0.000 2.446 393 N HA 0.317 5.057 4.740 0.000 0.000 0.265 393 N C -1.259 173.931 175.510 -0.533 0.000 0.975 393 N CA -0.290 52.450 53.050 -0.516 0.000 0.928 393 N CB 1.720 39.758 38.487 -0.748 0.000 1.160 393 N HN 0.509 nan 8.380 nan 0.000 0.495 394 S N 1.683 117.208 115.700 -0.291 0.000 2.478 394 S HA 0.742 5.212 4.470 0.000 0.000 0.312 394 S C -0.241 174.456 174.600 0.161 0.000 1.094 394 S CA -0.862 57.290 58.200 -0.079 0.000 1.081 394 S CB 0.299 63.409 63.200 -0.151 0.000 1.007 394 S HN 0.435 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 -1.083 175.256 176.117 0.370 0.000 1.009 395 I CA -1.192 60.345 61.300 0.396 0.000 1.114 395 I CB 1.361 39.695 38.000 0.557 0.000 1.293 395 I HN 0.648 nan 8.210 nan 0.000 0.449 396 F N 5.920 125.941 119.950 0.118 0.000 2.686 396 F HA 0.504 5.031 4.527 0.000 0.000 0.365 396 F C -1.228 174.507 175.800 -0.107 0.000 1.196 396 F CA -0.780 57.236 58.000 0.027 0.000 1.198 396 F CB 0.620 39.602 39.000 -0.029 0.000 1.454 396 F HN 0.495 nan 8.300 nan 0.000 0.539 397 F N 4.110 123.848 119.950 -0.352 0.000 2.438 397 F HA 0.377 4.904 4.527 0.000 0.000 0.356 397 F C -0.036 175.534 175.800 -0.383 0.000 1.099 397 F CA 0.182 57.954 58.000 -0.380 0.000 1.185 397 F CB 0.573 39.343 39.000 -0.383 0.000 1.115 397 F HN 0.425 nan 8.300 nan 0.000 0.526 398 E N 6.578 126.447 120.200 -0.552 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 1.383 30.940 29.700 -0.237 0.000 1.196 398 E HN 0.652 nan 8.360 nan 0.000 0.416 399 L N 3.308 124.426 121.223 -0.175 0.000 2.346 399 L HA 0.589 4.929 4.340 0.000 0.000 0.276 399 L C -0.185 176.624 176.870 -0.102 0.000 1.006 399 L CA -0.579 54.185 54.840 -0.126 0.000 0.817 399 L CB 1.863 43.892 42.059 -0.049 0.000 1.272 399 L HN 0.600 nan 8.230 nan 0.000 0.421 400 E N 1.061 121.203 120.200 -0.097 0.000 2.450 400 E HA 0.854 5.204 4.350 0.000 0.000 0.272 400 E C -1.312 175.272 176.600 -0.027 0.000 0.967 400 E CA -0.983 55.383 56.400 -0.056 0.000 0.818 400 E CB 2.584 32.248 29.700 -0.060 0.000 1.401 400 E HN 0.608 nan 8.360 nan 0.000 0.450 401 A N 0.546 123.380 122.820 0.024 0.000 2.498 401 A HA 0.549 4.869 4.320 0.000 0.000 0.298 401 A C -1.308 176.326 177.584 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 1.337 121.803 120.400 0.110 0.000 2.720 402 D HA 0.278 4.918 4.640 0.000 0.000 0.285 402 D C -0.248 176.100 176.300 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 0.710 nan 8.370 nan 0.000 0.474 417 E N 1.700 121.895 120.200 -0.008 0.000 2.375 417 E HA 0.549 4.899 4.350 0.000 0.000 0.280 417 E C -0.863 175.739 176.600 0.004 0.000 0.972 417 E CA -0.716 55.683 56.400 -0.002 0.000 0.782 417 E CB 2.600 32.302 29.700 0.004 0.000 1.229 417 E HN 0.143 nan 8.360 nan 0.000 0.439 418 V N -0.820 119.099 119.914 0.008 0.000 3.182 418 V HA 0.687 4.807 4.120 0.000 0.000 0.308 418 V C -1.112 175.005 176.094 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 0.749 nan 8.190 nan 0.000 0.446 419 L N 1.266 122.529 121.223 0.066 0.000 2.342 419 L HA 0.593 4.933 4.340 0.000 0.000 0.276 419 L C 0.029 176.941 176.870 0.070 0.000 0.997 419 L CA -0.300 54.579 54.840 0.065 0.000 0.838 419 L CB 1.453 43.569 42.059 0.096 0.000 1.224 419 L HN 1.055 nan 8.230 nan 0.000 0.416 420 E N 4.333 124.561 120.200 0.046 0.000 1.802 420 E HA 0.051 4.401 4.350 0.000 0.000 0.265 420 E C -0.707 175.916 176.600 0.040 0.000 1.168 420 E CA -0.249 56.197 56.400 0.077 0.000 1.033 420 E CB 0.814 30.520 29.700 0.011 0.000 1.095 420 E HN 0.450 nan 8.360 nan 0.000 0.436 421 V N 5.323 125.249 119.914 0.021 0.000 2.313 421 V HA 0.176 4.296 4.120 0.000 0.000 0.252 421 V C -0.500 175.550 176.094 -0.073 0.000 1.112 421 V CA 0.072 62.328 62.300 -0.074 0.000 0.984 421 V CB 0.716 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 7.676 122.194 114.554 -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 1.595 70.453 68.868 -0.018 0.000 0.999 422 T HN 0.513 nan 8.240 nan 0.000 0.474 423 L N 3.488 124.683 121.223 -0.047 0.000 3.096 423 L HA 0.217 4.557 4.340 0.000 0.000 0.247 423 L C 1.721 178.764 176.870 0.288 0.000 1.321 423 L CA -0.539 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 0.870 119.703 118.700 0.221 0.000 2.205 424 N HA -0.184 4.556 4.740 0.000 0.000 0.186 424 N C 0.759 176.594 175.510 0.541 0.000 1.015 424 N CA 1.182 54.432 53.050 0.333 0.000 0.862 424 N CB 0.086 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 0.154 120.862 120.500 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 -2.121 54.162 56.100 0.305 0.000 1.040 425 R CB 0.769 31.176 30.300 0.179 0.000 1.152 425 R HN 0.049 nan 8.270 nan 0.000 0.503 426 P HA -0.112 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 0.771 63.960 63.100 0.148 0.000 0.765 426 P CB 0.272 31.984 31.700 0.020 0.000 0.806 427 F N 0.377 120.307 119.950 -0.035 0.000 2.715 427 F HA 0.692 5.219 4.527 0.000 0.000 0.318 427 F C -1.938 173.873 175.800 0.019 0.000 1.141 427 F CA -1.282 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 1.791 123.088 121.223 0.123 0.000 2.303 428 L HA 0.699 5.039 4.340 0.000 0.000 0.266 428 L C -0.668 176.392 176.870 0.317 0.000 1.011 428 L CA -0.706 54.195 54.840 0.102 0.000 0.818 428 L CB 1.720 43.860 42.059 0.135 0.000 1.326 428 L HN 0.948 nan 8.230 nan 0.000 0.435 429 F N -0.583 119.354 119.950 -0.023 0.000 2.741 429 F HA 0.878 5.405 4.527 0.000 0.000 0.313 429 F C -1.315 174.462 175.800 -0.038 0.000 1.153 429 F CA -1.345 56.661 58.000 0.010 0.000 0.931 429 F CB 1.797 40.810 39.000 0.021 0.000 1.335 429 F HN 0.536 nan 8.300 nan 0.000 0.460 430 A N 1.646 124.384 122.820 -0.137 0.000 2.534 430 A HA 0.591 4.911 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 51.624 52.037 -0.212 0.000 0.858 430 A CB 0.420 19.304 19.000 -0.194 0.000 1.333 430 A HN 2.161 nan 8.150 nan 0.000 0.391 431 V N 0.827 120.848 119.914 0.178 0.000 2.530 431 V HA 0.754 4.874 4.120 0.000 0.000 0.282 431 V C -0.416 175.879 176.094 0.335 0.000 1.048 431 V CA -0.289 62.194 62.300 0.305 0.000 0.997 431 V CB 0.683 32.670 31.823 0.273 0.000 0.987 431 V HN 1.273 nan 8.190 nan 0.000 0.477 432 Y N 2.957 123.381 120.300 0.205 0.000 2.477 432 Y HA 0.661 5.211 4.550 0.000 0.000 0.347 432 Y C -0.919 175.106 175.900 0.207 0.000 0.981 432 Y CA -1.159 57.050 58.100 0.183 0.000 1.033 432 Y CB 2.062 40.595 38.460 0.121 0.000 1.245 432 Y HN 0.869 nan 8.280 nan 0.000 0.455 433 D N 3.999 124.060 120.400 -0.564 0.000 2.256 433 D HA 0.232 4.872 4.640 0.000 0.000 0.240 433 D C 0.111 175.902 176.300 -0.849 0.000 1.062 433 D CA -0.085 53.653 54.000 -0.436 0.000 0.832 433 D CB 1.913 42.673 40.800 -0.067 0.000 1.135 433 D HN 0.853 nan 8.370 nan 0.000 0.484 434 Q N 1.387 120.945 119.800 -0.403 0.000 2.137 434 Q HA -0.081 4.259 4.340 0.000 0.000 0.198 434 Q C 1.868 177.812 176.000 -0.094 0.000 0.960 434 Q CA 1.173 56.875 55.803 -0.169 0.000 0.847 434 Q CB 0.120 28.882 28.738 0.040 0.000 0.915 434 Q HN 0.593 nan 8.270 nan 0.000 0.448 435 S N 0.537 116.196 115.700 -0.069 0.000 2.402 435 S HA -0.014 4.456 4.470 0.000 0.000 0.229 435 S C 1.772 176.355 174.600 -0.027 0.000 1.021 435 S CA 0.856 59.041 58.200 -0.024 0.000 0.974 435 S CB 0.004 63.204 63.200 -0.000 0.000 0.800 435 S HN 0.314 nan 8.310 nan 0.000 0.484 436 A N 1.485 124.272 122.820 -0.056 0.000 2.500 436 A HA 0.471 4.791 4.320 0.000 0.000 0.267 436 A C 1.095 178.621 177.584 -0.097 0.000 1.290 436 A CA 0.370 52.378 52.037 -0.048 0.000 0.928 436 A CB -1.072 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 -2.754 111.730 114.554 -0.117 0.000 3.538 437 T HA -0.079 4.271 4.350 0.000 0.000 0.385 437 T C 0.166 174.862 174.700 -0.006 0.000 0.766 437 T CA 0.965 63.048 62.100 -0.028 0.000 1.906 437 T CB -2.506 66.398 68.868 0.060 0.000 1.760 437 T HN 1.926 nan 8.240 nan 0.000 0.678 438 A N 0.996 123.708 122.820 -0.180 0.000 2.398 438 A HA 0.704 5.024 4.320 0.000 0.000 0.301 438 A C -0.230 177.337 177.584 -0.028 0.000 1.041 438 A CA -1.339 50.623 52.037 -0.126 0.000 0.711 438 A CB 1.085 19.921 19.000 -0.273 0.000 1.240 438 A HN 1.035 nan 8.150 nan 0.000 0.420 439 L N 1.071 122.361 121.223 0.111 0.000 2.268 439 L HA 0.464 4.804 4.340 0.000 0.000 0.289 439 L C 0.793 177.645 176.870 -0.030 0.000 1.064 439 L CA 0.031 54.980 54.840 0.182 0.000 0.824 439 L CB -0.608 41.542 42.059 0.152 0.000 1.202 439 L HN 0.744 nan 8.230 nan 0.000 0.433 440 H N 2.314 121.353 119.070 -0.052 0.000 2.462 440 H HA 0.157 4.713 4.556 0.000 0.000 0.292 440 H C -0.404 174.587 175.328 -0.563 0.000 1.049 440 H CA 1.250 57.157 56.048 -0.235 0.000 1.334 440 H CB 0.266 29.982 29.762 -0.077 0.000 1.404 440 H HN 0.450 nan 8.280 nan 0.000 0.544 441 F N -0.014 119.951 119.950 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 -0.706 57.219 58.000 -0.124 0.000 0.940 441 F CB 2.328 41.242 39.000 -0.143 0.000 1.273 441 F HN -0.251 nan 8.300 nan 0.000 0.450 442 L N 1.717 122.819 121.223 -0.202 0.000 2.455 442 L HA 0.904 5.244 4.340 0.000 0.000 0.264 442 L C -0.444 176.203 176.870 -0.373 0.000 0.968 442 L CA -0.619 53.970 54.840 -0.418 0.000 0.827 442 L CB 2.325 44.148 42.059 -0.393 0.000 1.317 442 L HN 0.821 nan 8.230 nan 0.000 0.407 443 G N 1.659 110.062 108.800 -0.661 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 -2.237 172.616 174.900 -0.079 0.000 1.437 443 G CA -0.679 44.253 45.100 -0.279 0.000 0.798 443 G HN 0.515 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 5.080 4.340 0.000 0.000 0.277 444 R C -1.418 174.638 176.300 -0.406 0.000 0.977 444 R CA -0.586 55.326 56.100 -0.313 0.000 0.950 444 R CB 2.211 32.056 30.300 -0.759 0.000 1.165 444 R HN 0.352 nan 8.270 nan 0.000 0.474 445 V N 4.003 123.579 119.914 -0.564 0.000 2.380 445 V HA 0.382 4.502 4.120 0.000 0.000 0.286 445 V C 0.452 176.300 176.094 -0.410 0.000 1.015 445 V CA -0.257 61.704 62.300 -0.565 0.000 0.834 445 V CB 0.918 32.204 31.823 -0.896 0.000 1.009 445 V HN 1.051 nan 8.190 nan 0.000 0.428 446 A N 4.567 127.200 122.820 -0.313 0.000 1.871 446 A HA 0.299 4.619 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 1.025 52.940 52.037 -0.204 0.000 0.620 446 A CB 0.084 18.969 19.000 -0.193 0.000 0.860 446 A HN 0.872 nan 8.150 nan 0.000 0.450 447 N N -0.832 117.771 118.700 -0.161 0.000 2.555 447 N HA 0.370 5.110 4.740 0.000 0.000 0.265 447 N C -3.773 171.641 175.510 -0.160 0.000 1.135 447 N CA -1.313 51.647 53.050 -0.149 0.000 0.925 447 N CB 0.291 38.727 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 -0.732 176.514 177.300 -0.091 0.000 1.235 448 P CA -0.262 62.751 63.100 -0.146 0.000 0.772 448 P CB 0.693 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