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_B 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 0.000 175.693 176.094 -0.668 0.000 1.182 3 V CA 0.000 62.110 62.300 -0.316 0.000 1.235 3 V CB 0.000 31.405 31.823 -0.696 0.000 1.184 4 Y N 4.226 124.622 120.300 0.160 0.000 2.607 4 Y HA 0.495 5.046 4.550 0.000 0.000 0.315 4 Y C -0.054 175.982 175.900 0.227 0.000 0.913 4 Y CA -0.345 57.892 58.100 0.229 0.000 0.892 4 Y CB -0.736 37.877 38.460 0.254 0.000 1.403 4 Y HN 0.452 nan 8.280 nan 0.000 0.563 5 I N 1.815 122.744 120.570 0.597 0.000 3.210 5 I HA 0.545 4.715 4.170 0.000 0.000 0.316 5 I C -0.631 175.684 176.117 0.331 0.000 1.067 5 I CA -0.641 60.875 61.300 0.359 0.000 1.047 5 I CB 0.919 39.076 38.000 0.261 0.000 1.352 5 I HN 0.240 nan 8.210 nan 0.000 0.565 6 H N 2.185 121.361 119.070 0.176 0.000 3.224 6 H HA 0.426 4.982 4.556 0.000 0.000 0.331 6 H C -2.658 172.736 175.328 0.110 0.000 1.002 6 H CA -1.461 54.651 56.048 0.108 0.000 1.473 6 H CB 1.176 30.996 29.762 0.096 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 -1.041 176.133 177.300 -0.211 0.000 1.249 7 P CA -0.362 62.665 63.100 -0.122 0.000 0.806 7 P CB 1.056 32.680 31.700 -0.127 0.000 0.984 8 F N 1.194 121.144 119.950 -0.001 0.000 2.404 8 F HA 0.224 4.751 4.527 0.000 0.000 0.354 8 F C 1.050 176.876 175.800 0.044 0.000 1.122 8 F CA -0.240 57.789 58.000 0.050 0.000 1.080 8 F CB 0.826 39.854 39.000 0.047 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 -0.232 55.845 56.048 0.049 0.000 1.254 9 H CB 0.716 30.469 29.762 -0.015 0.000 1.390 9 H HN 0.591 nan 8.280 nan 0.000 0.491 10 L N 6.329 127.532 121.223 -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 0.425 42.505 42.059 0.036 0.000 1.493 10 L HN 0.260 nan 8.230 nan 0.000 0.415 11 V N 1.916 121.877 119.914 0.078 0.000 2.293 11 V HA 0.246 4.366 4.120 0.000 0.000 0.275 11 V C 0.459 176.688 176.094 0.225 0.000 1.021 11 V CA -0.539 61.830 62.300 0.116 0.000 0.815 11 V CB 2.115 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 0.150 0.000 2.752 12 I HA 0.222 4.392 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 0.537 61.918 61.300 0.134 0.000 1.427 12 I CB 0.107 38.134 38.000 0.045 0.000 1.365 12 I HN 0.825 nan 8.210 nan 0.000 0.585 13 H N 5.090 124.185 119.070 0.042 0.000 2.985 13 H HA 0.315 4.871 4.556 0.000 0.000 0.360 13 H C -1.365 173.979 175.328 0.027 0.000 1.221 13 H CA -1.152 54.918 56.048 0.036 0.000 1.121 13 H CB 0.401 30.186 29.762 0.039 0.000 1.854 13 H HN 0.543 nan 8.280 nan 0.000 0.551 14 N N 1.987 120.724 118.700 0.062 0.000 2.400 14 N HA -0.009 4.731 4.740 0.000 0.000 0.267 14 N C -0.597 174.917 175.510 0.006 0.000 1.208 14 N CA -0.092 52.958 53.050 -0.000 0.000 0.951 14 N CB 0.797 39.305 38.487 0.035 0.000 1.227 14 N HN 0.454 nan 8.380 nan 0.000 0.488 15 E N 1.297 121.432 120.200 -0.109 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 0.064 0.000 0.834 15 E CA 0.620 56.987 56.400 -0.055 0.000 1.014 15 E CB 0.264 29.937 29.700 -0.045 0.000 1.006 15 E HN 0.570 nan 8.360 nan 0.000 0.521 16 S N 0.898 116.666 115.700 0.114 0.000 2.973 16 S HA 0.780 5.250 4.470 0.000 0.000 0.317 16 S C -0.441 174.211 174.600 0.087 0.000 1.196 16 S CA -0.399 57.863 58.200 0.103 0.000 0.894 16 S CB 2.073 65.347 63.200 0.123 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 0.071 0.000 2.654 17 T HA 0.324 4.674 4.350 0.000 0.000 0.243 17 T C -0.021 174.711 174.700 0.054 0.000 2.213 17 T CA -0.486 61.654 62.100 0.065 0.000 0.955 17 T CB -1.071 67.835 68.868 0.063 0.000 2.347 17 T HN 1.332 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 0.553 32.315 31.700 0.103 0.000 1.132 33 T N 0.687 115.331 114.554 0.149 0.000 2.828 33 T HA 0.644 4.994 4.350 0.000 0.000 0.290 33 T C -0.051 174.821 174.700 0.287 0.000 1.019 33 T CA -0.494 61.701 62.100 0.160 0.000 1.031 33 T CB 0.493 69.416 68.868 0.093 0.000 1.001 33 T HN 0.366 nan 8.240 nan 0.000 0.531 34 F N -1.228 118.782 119.950 0.101 0.000 2.615 34 F HA 0.668 5.195 4.527 0.000 0.000 0.312 34 F C -1.398 174.389 175.800 -0.021 0.000 1.119 34 F CA -1.731 56.304 58.000 0.059 0.000 0.979 34 F CB 0.879 39.901 39.000 0.036 0.000 1.266 34 F HN 0.538 nan 8.300 nan 0.000 0.444 35 I N 5.063 125.620 120.570 -0.020 0.000 2.371 35 I HA 0.299 4.469 4.170 0.000 0.000 0.290 35 I C -1.876 174.285 176.117 0.074 0.000 1.028 35 I CA -1.770 59.427 61.300 -0.171 0.000 1.345 35 I CB 1.370 39.187 38.000 -0.304 0.000 1.407 35 I HN 0.474 nan 8.210 nan 0.000 0.501 36 P HA 0.252 nan 4.420 nan 0.000 0.277 36 P C -0.600 176.724 177.300 0.040 0.000 1.240 36 P CA -0.424 62.752 63.100 0.126 0.000 0.798 36 P CB 1.073 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 -1.223 50.816 52.037 0.003 0.000 0.801 37 A CB -1.264 17.739 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 0.793 178.037 177.300 -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 -1.142 119.328 120.570 -0.166 0.000 2.830 39 I HA -0.155 4.015 4.170 0.000 0.000 0.263 39 I C 2.138 178.234 176.117 -0.035 0.000 1.230 39 I CA 0.885 62.032 61.300 -0.256 0.000 1.480 39 I CB -0.736 36.959 38.000 -0.508 0.000 1.095 39 I HN 0.312 nan 8.210 nan 0.000 0.455 40 Q N 2.313 122.094 119.800 -0.032 0.000 2.234 40 Q HA -0.058 4.282 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 0.971 56.775 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 1.488 124.320 122.820 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 0.151 52.207 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 2.506 122.927 120.400 0.035 0.000 2.294 42 K HA 0.173 4.493 4.320 0.000 0.000 0.288 42 K C -0.419 176.198 176.600 0.028 0.000 1.072 42 K CA 0.424 56.726 56.287 0.025 0.000 0.960 42 K CB 0.060 32.559 32.500 -0.000 0.000 1.043 42 K HN 0.661 nan 8.250 nan 0.000 0.455 43 T N 1.762 116.345 114.554 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 -0.806 61.309 62.100 0.024 0.000 0.996 43 T CB 1.120 70.058 68.868 0.118 0.000 0.927 43 T HN 0.574 nan 8.240 nan 0.000 0.456 44 S N 4.586 120.243 115.700 -0.071 0.000 2.572 44 S HA 0.361 4.831 4.470 0.000 0.000 0.279 44 S C -2.120 172.389 174.600 -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 63.070 63.200 -0.077 0.000 0.887 44 S HN 0.502 nan 8.310 nan 0.000 0.516 45 P HA 0.220 nan 4.420 nan 0.000 0.274 45 P C -0.645 176.532 177.300 -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 31.914 31.700 -0.247 0.000 1.006 46 V N 2.643 122.408 119.914 -0.248 0.000 2.479 46 V HA 0.010 4.130 4.120 0.000 0.000 0.281 46 V C 1.189 177.201 176.094 -0.137 0.000 1.031 46 V CA -0.138 62.055 62.300 -0.178 0.000 1.038 46 V CB -0.570 31.145 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 0.009 4.749 4.740 0.000 0.000 0.260 47 N C 1.088 176.578 175.510 -0.034 0.000 1.173 47 N CA 0.253 53.265 53.050 -0.064 0.000 0.960 47 N CB 0.697 39.152 38.487 -0.052 0.000 1.273 47 N HN 0.798 nan 8.380 nan 0.000 0.497 48 E N 3.199 123.387 120.200 -0.020 0.000 2.150 48 E HA -0.148 4.202 4.350 0.000 0.000 0.193 48 E C 1.045 177.652 176.600 0.012 0.000 0.985 48 E CA 1.109 57.525 56.400 0.027 0.000 0.814 48 E CB 0.356 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 0.093 120.490 120.400 -0.005 0.000 2.002 49 K HA -0.123 4.197 4.320 0.000 0.000 0.209 49 K C 2.220 178.814 176.600 -0.011 0.000 1.048 49 K CA 1.135 57.416 56.287 -0.010 0.000 0.930 49 K CB -0.205 32.286 32.500 -0.016 0.000 0.714 49 K HN 0.094 nan 8.250 nan 0.000 0.438 50 A N 1.566 124.377 122.820 -0.015 0.000 1.978 50 A HA -0.179 4.141 4.320 0.000 0.000 0.220 50 A C 2.090 179.667 177.584 -0.011 0.000 1.170 50 A CA 1.272 53.300 52.037 -0.015 0.000 0.636 50 A CB -0.500 18.486 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 2.804 57.645 54.840 0.002 0.000 0.744 51 L CB -1.064 41.007 42.059 0.019 0.000 0.893 51 L HN 0.686 nan 8.230 nan 0.000 0.433 52 Q N -1.736 118.065 119.800 0.002 0.000 2.167 52 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 52 Q C 1.458 177.454 176.000 -0.007 0.000 0.970 52 Q CA 1.728 57.528 55.803 -0.005 0.000 0.855 52 Q CB -0.637 28.090 28.738 -0.018 0.000 0.911 52 Q HN 0.461 nan 8.270 nan 0.000 0.438 53 D N 0.471 120.866 120.400 -0.008 0.000 2.219 53 D HA -0.141 4.499 4.640 0.000 0.000 0.205 53 D C 1.895 178.193 176.300 -0.003 0.000 0.970 53 D CA 0.859 54.855 54.000 -0.007 0.000 0.851 53 D CB -0.024 40.771 40.800 -0.008 0.000 0.943 53 D HN 0.341 nan 8.370 nan 0.000 0.488 54 Q N 0.163 119.962 119.800 -0.003 0.000 2.212 54 Q HA 0.035 4.376 4.340 0.000 0.000 0.199 54 Q C 2.366 178.368 176.000 0.004 0.000 0.950 54 Q CA 0.237 56.039 55.803 -0.001 0.000 0.863 54 Q CB 0.134 28.870 28.738 -0.003 0.000 0.944 54 Q HN 0.334 nan 8.270 nan 0.000 0.465 55 L N 0.442 121.668 121.223 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 55.856 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 0.103 nan 8.230 nan 0.000 0.437 56 V N -2.831 117.087 119.914 0.006 0.000 2.548 56 V HA -0.200 3.920 4.120 0.000 0.000 0.249 56 V C 2.260 178.360 176.094 0.010 0.000 1.055 56 V CA 1.124 63.428 62.300 0.007 0.000 1.065 56 V CB -0.645 31.179 31.823 0.001 0.000 0.681 56 V HN 0.348 nan 8.190 nan 0.000 0.462 57 L N 0.578 121.807 121.223 0.009 0.000 2.056 57 L HA -0.048 4.292 4.340 0.000 0.000 0.207 57 L C 2.571 179.449 176.870 0.014 0.000 1.078 57 L CA 2.212 57.058 54.840 0.010 0.000 0.749 57 L CB -0.618 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 0.758 120.682 119.914 0.016 0.000 2.407 58 V HA -0.245 3.875 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 1.542 63.855 62.300 0.022 0.000 1.049 58 V CB -1.161 30.677 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 1.852 53.906 52.037 0.028 0.000 0.627 59 A CB -0.617 18.400 19.000 0.027 0.000 0.815 59 A HN 0.537 nan 8.150 nan 0.000 0.443 60 A N 0.174 123.006 122.820 0.020 0.000 1.832 60 A HA -0.035 4.285 4.320 0.000 0.000 0.214 60 A C 1.353 178.949 177.584 0.019 0.000 1.200 60 A CA 1.077 53.125 52.037 0.018 0.000 0.610 60 A CB -0.359 18.649 19.000 0.014 0.000 0.842 60 A HN 0.398 nan 8.150 nan 0.000 0.444 61 K N 0.098 120.509 120.400 0.018 0.000 2.083 61 K HA 0.345 4.665 4.320 0.000 0.000 0.246 61 K C -1.492 175.122 176.600 0.023 0.000 1.160 61 K CA 0.064 56.362 56.287 0.019 0.000 1.060 61 K CB -0.329 32.181 32.500 0.016 0.000 1.417 61 K HN 0.257 nan 8.250 nan 0.000 0.329 62 L N 1.781 123.019 121.223 0.025 0.000 2.543 62 L HA 0.250 4.590 4.340 0.000 0.000 0.265 62 L C -0.983 175.905 176.870 0.030 0.000 0.945 62 L CA -0.559 54.298 54.840 0.030 0.000 0.869 62 L CB 1.688 43.767 42.059 0.033 0.000 1.294 62 L HN 0.289 nan 8.230 nan 0.000 0.405 63 D N 1.445 121.865 120.400 0.034 0.000 2.361 63 D HA 0.142 4.782 4.640 0.000 0.000 0.239 63 D C 1.039 177.360 176.300 0.034 0.000 1.200 63 D CA 0.701 54.721 54.000 0.033 0.000 0.915 63 D CB 1.260 42.082 40.800 0.037 0.000 1.170 63 D HN 0.774 nan 8.370 nan 0.000 0.444 64 T N -1.882 112.690 114.554 0.029 0.000 2.915 64 T HA -0.128 4.222 4.350 0.000 0.000 0.269 64 T C 1.338 176.058 174.700 0.033 0.000 1.071 64 T CA 0.984 63.100 62.100 0.028 0.000 1.132 64 T CB -0.087 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 1.203 121.427 120.200 0.040 0.000 2.107 65 E HA -0.098 4.252 4.350 0.000 0.000 0.191 65 E C 1.973 178.618 176.600 0.075 0.000 0.982 65 E CA 1.146 57.577 56.400 0.053 0.000 0.809 65 E CB -0.088 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 0.924 121.367 120.400 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 0.952 55.002 54.000 0.082 0.000 0.841 66 D CB -0.032 40.807 40.800 0.064 0.000 0.953 66 D HN 0.104 nan 8.370 nan 0.000 0.478 67 K N 0.266 120.699 120.400 0.056 0.000 2.097 67 K HA -0.045 4.275 4.320 0.000 0.000 0.206 67 K C 2.266 178.893 176.600 0.046 0.000 1.049 67 K CA 0.574 56.888 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 0.335 121.588 121.223 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 0.981 55.847 54.840 0.044 0.000 0.755 68 L CB -0.338 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 0.390 120.967 120.500 0.129 0.000 2.075 69 R HA -0.144 4.197 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 1.340 57.588 56.100 0.247 0.000 0.963 69 R CB -0.179 30.314 30.300 0.321 0.000 0.858 69 R HN 0.329 nan 8.270 nan 0.000 0.435 70 A N 0.683 123.568 122.820 0.108 0.000 1.933 70 A HA -0.104 4.216 4.320 0.000 0.000 0.218 70 A C 2.301 179.894 177.584 0.015 0.000 1.175 70 A CA 1.661 53.734 52.037 0.059 0.000 0.628 70 A CB -0.626 18.402 19.000 0.048 0.000 0.814 70 A HN 0.515 nan 8.150 nan 0.000 0.444 71 A N -0.699 122.131 122.820 0.016 0.000 1.898 71 A HA -0.089 4.231 4.320 0.000 0.000 0.216 71 A C 2.268 179.829 177.584 -0.039 0.000 1.181 71 A CA 1.839 53.867 52.037 -0.015 0.000 0.620 71 A CB -0.507 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 -0.690 118.908 119.600 -0.003 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 2.153 57.435 55.300 -0.029 0.000 1.117 72 M CB -0.204 32.374 32.600 -0.036 0.000 1.334 72 M HN 0.212 nan 8.290 nan 0.000 0.407 73 V N 0.648 120.586 119.914 0.040 0.000 2.594 73 V HA -0.143 3.977 4.120 0.000 0.000 0.253 73 V C 2.083 177.955 176.094 -0.370 0.000 1.069 73 V CA 2.237 64.472 62.300 -0.108 0.000 1.082 73 V CB -1.131 30.695 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 1.163 46.083 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 2.541 178.333 176.300 -0.845 0.000 1.063 75 M CA 0.675 55.588 55.300 -0.646 0.000 1.110 75 M CB -0.890 31.401 32.600 -0.515 0.000 1.374 75 M HN 0.101 nan 8.290 nan 0.000 0.411 76 L N -0.204 120.716 121.223 -0.506 0.000 2.042 76 L HA -0.163 4.178 4.340 0.000 0.000 0.210 76 L C 2.647 179.213 176.870 -0.506 0.000 1.076 76 L CA 2.001 56.629 54.840 -0.354 0.000 0.749 76 L CB -1.757 40.106 42.059 -0.327 0.000 0.893 76 L HN 0.248 nan 8.230 nan 0.000 0.432 77 A N 0.034 122.357 122.820 -0.828 0.000 1.933 77 A HA -0.211 4.109 4.320 0.000 0.000 0.218 77 A C 2.047 179.368 177.584 -0.438 0.000 1.175 77 A CA 1.683 53.374 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 -0.159 118.197 118.700 -0.574 0.000 2.058 78 N HA -0.127 4.613 4.740 0.000 0.000 0.191 78 N C 1.268 176.260 175.510 -0.863 0.000 1.037 78 N CA 1.636 54.224 53.050 -0.772 0.000 0.848 78 N CB -0.736 37.371 38.487 -0.633 0.000 1.021 78 N HN 0.452 nan 8.380 nan 0.000 0.422 79 F N 0.735 120.518 119.950 -0.278 0.000 2.216 79 F HA 0.003 4.530 4.527 0.000 0.000 0.300 79 F C 2.120 177.899 175.800 -0.035 0.000 1.085 79 F CA 0.080 58.066 58.000 -0.024 0.000 1.326 79 F CB -1.046 37.993 39.000 0.066 0.000 1.027 79 F HN 0.010 nan 8.300 nan 0.000 0.497 80 L N 0.587 121.868 121.223 0.097 0.000 2.046 80 L HA 0.013 4.353 4.340 0.000 0.000 0.208 80 L C 2.453 179.348 176.870 0.042 0.000 1.077 80 L CA 2.100 57.007 54.840 0.112 0.000 0.747 80 L CB -1.473 40.701 42.059 0.190 0.000 0.896 80 L HN 0.128 nan 8.230 nan 0.000 0.432 81 G N -1.057 107.668 108.800 -0.126 0.000 2.418 81 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 81 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 81 G C 1.315 176.276 174.900 0.102 0.000 1.158 81 G CA 0.978 46.011 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 0.248 0.000 1.323 82 F CB -0.680 38.444 39.000 0.207 0.000 1.028 82 F HN -0.008 nan 8.300 nan 0.000 0.492 83 R N 0.451 121.140 120.500 0.315 0.000 2.091 83 R HA -0.159 4.181 4.340 0.000 0.000 0.238 83 R C 2.207 178.580 176.300 0.121 0.000 1.136 83 R CA 1.623 57.835 56.100 0.187 0.000 0.959 83 R CB -0.719 29.665 30.300 0.141 0.000 0.856 83 R HN 0.285 nan 8.270 nan 0.000 0.437 84 I N -0.470 120.173 120.570 0.123 0.000 2.614 84 I HA -0.259 3.911 4.170 0.000 0.000 0.258 84 I C 1.670 177.784 176.117 -0.006 0.000 1.189 84 I CA 0.745 62.073 61.300 0.046 0.000 1.462 84 I CB -0.132 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 1.531 121.800 120.300 -0.051 0.000 2.632 85 Y HA -0.024 4.527 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 -0.479 37.928 38.460 -0.088 0.000 1.016 85 Y HN 0.093 nan 8.280 nan 0.000 0.529 86 G N -0.217 108.434 108.800 -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 1.519 175.855 174.900 -0.939 0.000 1.128 86 G CA 0.504 45.271 45.100 -0.555 0.000 0.774 86 G HN 0.406 nan 8.290 nan 0.000 0.543 87 M N -0.414 118.794 119.600 -0.654 0.000 2.296 87 M HA -0.009 4.471 4.480 0.000 0.000 0.265 87 M C 0.348 176.296 176.300 -0.587 0.000 1.064 87 M CA 0.715 55.690 55.300 -0.541 0.000 1.109 87 M CB -0.284 32.078 32.600 -0.397 0.000 1.396 87 M HN 0.379 nan 8.290 nan 0.000 0.430 88 H N 0.477 119.199 119.070 -0.579 0.000 2.969 88 H HA -0.094 4.462 4.556 0.000 0.000 0.347 88 H C 0.777 175.757 175.328 -0.581 0.000 1.235 88 H CA 0.716 56.405 56.048 -0.598 0.000 1.179 88 H CB -2.168 27.412 29.762 -0.305 0.000 1.578 88 H HN 0.655 nan 8.280 nan 0.000 0.431 89 S N -1.627 113.587 115.700 -0.810 0.000 3.490 89 S HA -0.247 4.223 4.470 0.000 0.000 0.301 89 S C 0.747 175.065 174.600 -0.469 0.000 1.233 89 S CA 1.845 59.650 58.200 -0.659 0.000 0.914 89 S CB -1.120 61.893 63.200 -0.312 0.000 1.047 89 S HN 0.604 nan 8.310 nan 0.000 0.602 90 E N 0.349 120.285 120.200 -0.440 0.000 2.481 90 E HA 0.477 4.827 4.350 0.000 0.000 0.198 90 E C 1.675 178.103 176.600 -0.286 0.000 1.027 90 E CA 0.387 56.625 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 -0.368 120.565 121.223 -0.483 0.000 2.046 91 L HA -0.146 4.194 4.340 0.000 0.000 0.208 91 L C 1.601 178.345 176.870 -0.211 0.000 1.077 91 L CA 1.040 55.637 54.840 -0.405 0.000 0.747 91 L CB -0.337 41.376 42.059 -0.577 0.000 0.896 91 L HN 0.368 nan 8.230 nan 0.000 0.432 92 W N 0.246 121.485 121.300 -0.102 0.000 2.519 92 W HA 0.066 4.726 4.660 0.000 0.000 0.266 92 W C 2.349 178.818 176.519 -0.083 0.000 1.253 92 W CA 0.700 57.997 57.345 -0.080 0.000 1.274 92 W CB -1.590 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 0.933 109.777 108.800 0.074 0.000 2.475 93 G HA2 -0.216 3.745 3.960 0.000 0.000 0.220 93 G HA3 -0.216 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 0.594 45.701 45.100 0.012 0.000 0.755 93 G HN 0.035 nan 8.290 nan 0.000 0.565 94 V N 2.106 122.004 119.914 -0.026 0.000 2.180 94 V HA 0.101 4.221 4.120 0.000 0.000 0.238 94 V C 0.365 176.326 176.094 -0.222 0.000 1.337 94 V CA -0.316 61.947 62.300 -0.062 0.000 1.338 94 V CB 0.343 32.221 31.823 0.091 0.000 1.431 94 V HN 0.073 nan 8.190 nan 0.000 0.498 95 V N 5.486 125.162 119.914 -0.396 0.000 2.287 95 V HA 0.211 4.331 4.120 0.000 0.000 0.246 95 V C 0.125 175.911 176.094 -0.513 0.000 1.165 95 V CA -0.045 62.075 62.300 -0.300 0.000 1.088 95 V CB -1.019 30.719 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 0.631 176.038 175.328 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 0.724 nan 8.280 nan 0.000 0.515 97 G N 2.040 110.954 108.800 0.191 0.000 2.562 97 G HA2 -0.118 3.842 3.960 0.000 0.000 0.250 97 G HA3 -0.118 3.842 3.960 0.000 0.000 0.250 97 G C -0.130 174.823 174.900 0.087 0.000 1.269 97 G CA -0.251 44.934 45.100 0.141 0.000 0.919 97 G HN 0.871 nan 8.290 nan 0.000 0.574 98 A N -0.079 122.780 122.820 0.065 0.000 2.388 98 A HA 0.674 4.994 4.320 0.000 0.000 0.257 98 A C 1.240 178.847 177.584 0.039 0.000 1.095 98 A CA 1.173 53.215 52.037 0.008 0.000 0.791 98 A CB 0.028 19.009 19.000 -0.031 0.000 1.029 98 A HN 2.264 nan 8.150 nan 0.000 0.489 99 T N 0.160 114.693 114.554 -0.034 0.000 3.162 99 T HA 0.411 4.761 4.350 0.000 0.000 0.264 99 T C -0.285 174.442 174.700 0.046 0.000 0.959 99 T CA -0.144 61.953 62.100 -0.005 0.000 1.118 99 T CB -0.607 68.082 68.868 -0.297 0.000 0.979 99 T HN 1.532 nan 8.240 nan 0.000 0.679 100 V N 5.767 125.751 119.914 0.118 0.000 2.789 100 V HA 0.637 4.757 4.120 0.000 0.000 0.300 100 V C -1.167 175.019 176.094 0.153 0.000 1.184 100 V CA -1.153 61.210 62.300 0.105 0.000 0.930 100 V CB 1.835 33.697 31.823 0.066 0.000 1.041 100 V HN 0.997 nan 8.190 nan 0.000 0.430 101 L N 3.619 124.886 121.223 0.073 0.000 2.341 101 L HA 0.893 5.233 4.340 0.000 0.000 0.267 101 L C -0.516 176.414 176.870 0.100 0.000 1.009 101 L CA -0.373 54.449 54.840 -0.030 0.000 0.819 101 L CB 2.311 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 2.083 117.872 115.700 0.148 0.000 2.528 102 S HA 0.476 4.946 4.470 0.000 0.000 0.303 102 S C -1.738 172.814 174.600 -0.080 0.000 1.123 102 S CA -1.531 56.572 58.200 -0.162 0.000 1.138 102 S CB 0.778 63.782 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 1.761 64.794 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 -2.867 111.582 114.554 -0.176 0.000 2.821 104 T HA -0.008 4.343 4.350 0.000 0.000 0.267 104 T C 1.952 176.687 174.700 0.058 0.000 1.046 104 T CA 1.243 63.263 62.100 -0.133 0.000 1.139 104 T CB -1.126 67.544 68.868 -0.329 0.000 0.871 104 T HN 0.028 nan 8.240 nan 0.000 0.454 105 A N 1.169 124.020 122.820 0.051 0.000 1.897 105 A HA 0.161 4.481 4.320 0.000 0.000 0.215 105 A C 2.621 180.320 177.584 0.191 0.000 1.181 105 A CA 1.274 53.419 52.037 0.180 0.000 0.620 105 A CB -1.055 18.032 19.000 0.146 0.000 0.821 105 A HN 0.378 nan 8.150 nan 0.000 0.443 106 V N -1.058 118.963 119.914 0.179 0.000 2.233 106 V HA -0.283 3.837 4.120 0.000 0.000 0.247 106 V C 2.275 178.445 176.094 0.126 0.000 1.050 106 V CA 2.370 64.781 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 0.626 nan 8.190 nan 0.000 0.444 107 F N 1.579 121.516 119.950 -0.022 0.000 2.091 107 F HA -0.154 4.373 4.527 0.000 0.000 0.299 107 F C 2.184 177.908 175.800 -0.127 0.000 1.103 107 F CA 1.970 59.928 58.000 -0.070 0.000 1.228 107 F CB -0.868 38.075 39.000 -0.096 0.000 0.984 107 F HN 0.145 nan 8.300 nan 0.000 0.477 108 G N -1.599 107.207 108.800 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 -0.399 0.000 1.186 108 G CA 1.263 46.120 45.100 -0.405 0.000 0.779 108 G HN 0.408 nan 8.290 nan 0.000 0.543 109 T N 0.151 114.681 114.554 -0.039 0.000 2.759 109 T HA -0.047 4.304 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 1.381 63.533 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 0.120 121.246 121.223 -0.162 0.000 2.072 110 L HA 0.134 4.474 4.340 0.000 0.000 0.205 110 L C 2.791 179.496 176.870 -0.275 0.000 1.079 110 L CA 1.306 56.029 54.840 -0.195 0.000 0.752 110 L CB -0.515 41.434 42.059 -0.184 0.000 0.906 110 L HN 0.335 nan 8.230 nan 0.000 0.436 111 A N -0.687 121.878 122.820 -0.425 0.000 2.015 111 A HA -0.172 4.148 4.320 0.000 0.000 0.219 111 A C 2.390 179.848 177.584 -0.210 0.000 1.163 111 A CA 1.605 53.402 52.037 -0.400 0.000 0.646 111 A CB -0.550 18.109 19.000 -0.568 0.000 0.806 111 A HN 0.610 nan 8.150 nan 0.000 0.448 112 S N -0.066 115.476 115.700 -0.265 0.000 2.414 112 S HA 0.024 4.494 4.470 0.000 0.000 0.227 112 S C 1.769 176.261 174.600 -0.179 0.000 1.022 112 S CA 1.020 59.099 58.200 -0.201 0.000 0.958 112 S CB -0.599 62.566 63.200 -0.059 0.000 0.797 112 S HN 0.449 nan 8.310 nan 0.000 0.493 113 L N -0.093 120.952 121.223 -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 1.551 56.270 54.840 -0.201 0.000 0.763 113 L CB -0.709 41.217 42.059 -0.222 0.000 0.908 113 L HN 0.347 nan 8.230 nan 0.000 0.437 114 Y N 0.838 121.067 120.300 -0.119 0.000 2.256 114 Y HA -0.284 4.267 4.550 0.000 0.000 0.288 114 Y C 2.383 178.276 175.900 -0.012 0.000 1.155 114 Y CA 1.317 59.371 58.100 -0.076 0.000 1.203 114 Y CB -0.028 38.358 38.460 -0.124 0.000 0.980 114 Y HN 0.035 nan 8.280 nan 0.000 0.530 115 L N -0.205 120.984 121.223 -0.056 0.000 1.990 115 L HA -0.206 4.134 4.340 0.000 0.000 0.213 115 L C 1.797 178.693 176.870 0.044 0.000 1.072 115 L CA 1.295 56.119 54.840 -0.027 0.000 0.755 115 L CB -1.078 41.023 42.059 0.070 0.000 0.889 115 L HN 0.395 nan 8.230 nan 0.000 0.432 116 G N -0.258 108.627 108.800 0.141 0.000 3.213 116 G HA2 0.476 4.437 3.960 0.000 0.000 0.263 116 G HA3 0.476 4.437 3.960 0.000 0.000 0.263 116 G C -0.432 174.413 174.900 -0.091 0.000 0.829 116 G CA 0.428 45.498 45.100 -0.050 0.000 1.983 116 G HN 0.339 nan 8.290 nan 0.000 0.616 117 A N 2.070 124.816 122.820 -0.125 0.000 2.480 117 A HA 0.638 4.958 4.320 0.000 0.000 0.289 117 A C -0.192 177.318 177.584 -0.122 0.000 1.044 117 A CA -0.641 51.329 52.037 -0.112 0.000 0.761 117 A CB 0.968 19.905 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 0.401 4.741 4.340 0.000 0.000 0.240 118 L C 0.603 177.467 176.870 -0.010 0.000 1.151 118 L CA -1.147 53.672 54.840 -0.034 0.000 0.831 118 L CB 0.109 42.167 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 0.675 176.974 176.300 -0.003 0.000 1.202 119 D CA 0.247 54.199 54.000 -0.081 0.000 0.879 119 D CB 0.225 40.917 40.800 -0.180 0.000 1.212 119 D HN 0.709 nan 8.370 nan 0.000 0.465 120 H N -0.313 118.764 119.070 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 2.189 58.241 56.048 0.006 0.000 0.950 120 H CB -1.954 27.806 29.762 -0.004 0.000 0.516 120 H HN 0.575 nan 8.280 nan 0.000 0.809 121 T N 2.019 116.660 114.554 0.144 0.000 2.708 121 T HA 0.022 4.372 4.350 0.000 0.000 0.266 121 T C 2.120 176.867 174.700 0.078 0.000 1.037 121 T CA 2.277 64.420 62.100 0.071 0.000 1.146 121 T CB -0.561 68.331 68.868 0.039 0.000 0.865 121 T HN 0.626 nan 8.240 nan 0.000 0.435 122 A N 1.649 124.514 122.820 0.075 0.000 1.930 122 A HA -0.100 4.220 4.320 0.000 0.000 0.217 122 A C 1.975 179.697 177.584 0.230 0.000 1.175 122 A CA 1.700 53.833 52.037 0.160 0.000 0.627 122 A CB -0.576 18.417 19.000 -0.013 0.000 0.815 122 A HN 0.366 nan 8.150 nan 0.000 0.443 123 D N -0.749 119.718 120.400 0.112 0.000 2.310 123 D HA -0.042 4.598 4.640 0.000 0.000 0.212 123 D C 2.109 178.442 176.300 0.056 0.000 0.965 123 D CA 0.836 54.879 54.000 0.072 0.000 0.879 123 D CB -0.121 40.678 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 0.014 0.000 1.136 124 R CA 0.364 56.481 56.100 0.028 0.000 0.968 124 R CB -0.289 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 1.172 122.415 121.223 0.034 0.000 2.079 125 L HA -0.256 4.084 4.340 0.000 0.000 0.210 125 L C 2.474 179.295 176.870 -0.082 0.000 1.081 125 L CA 1.432 56.274 54.840 0.003 0.000 0.752 125 L CB -0.561 41.553 42.059 0.091 0.000 0.896 125 L HN 0.291 nan 8.230 nan 0.000 0.433 126 Q N -0.159 119.600 119.800 -0.067 0.000 2.047 126 Q HA -0.317 4.023 4.340 0.000 0.000 0.211 126 Q C 2.413 178.368 176.000 -0.075 0.000 1.005 126 Q CA 2.258 57.972 55.803 -0.148 0.000 0.866 126 Q CB -0.438 28.291 28.738 -0.016 0.000 0.938 126 Q HN 0.622 nan 8.270 nan 0.000 0.414 127 A N 0.484 123.291 122.820 -0.021 0.000 1.898 127 A HA -0.143 4.177 4.320 0.000 0.000 0.216 127 A C 2.059 179.645 177.584 0.003 0.000 1.181 127 A CA 1.213 53.251 52.037 0.002 0.000 0.620 127 A CB -0.613 18.393 19.000 0.010 0.000 0.819 127 A HN 0.335 nan 8.150 nan 0.000 0.442 128 I N -0.223 120.339 120.570 -0.014 0.000 2.252 128 I HA -0.242 3.928 4.170 0.000 0.000 0.245 128 I C 2.301 178.411 176.117 -0.012 0.000 1.102 128 I CA 1.076 62.369 61.300 -0.011 0.000 1.385 128 I CB -0.411 37.573 38.000 -0.027 0.000 1.064 128 I HN 0.272 nan 8.210 nan 0.000 0.414 129 L N 0.612 121.790 121.223 -0.076 0.000 2.083 129 L HA 0.007 4.347 4.340 0.000 0.000 0.209 129 L C 0.907 177.804 176.870 0.045 0.000 1.083 129 L CA 0.839 55.584 54.840 -0.157 0.000 0.752 129 L CB -0.805 41.018 42.059 -0.393 0.000 0.899 129 L HN 0.500 nan 8.230 nan 0.000 0.433 130 G N -0.071 108.772 108.800 0.071 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 44.472 45.100 0.178 0.000 1.143 130 G HN -0.089 nan 8.290 nan 0.000 0.492 131 V N 3.989 123.950 119.914 0.079 0.000 3.126 131 V HA 0.883 5.003 4.120 0.000 0.000 0.314 131 V C -1.699 174.446 176.094 0.085 0.000 1.138 131 V CA -1.157 61.181 62.300 0.063 0.000 1.034 131 V CB 2.650 34.466 31.823 -0.013 0.000 1.075 131 V HN 0.664 nan 8.190 nan 0.000 0.442 132 P HA 0.183 nan 4.420 nan 0.000 0.269 132 P C 0.360 177.830 177.300 0.282 0.000 1.857 132 P CA -0.173 63.006 63.100 0.132 0.000 1.213 132 P CB -0.046 31.721 31.700 0.111 0.000 1.702 133 W N 1.828 123.149 121.300 0.034 0.000 1.137 133 W HA -0.389 4.272 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 2.955 60.326 57.345 0.044 0.000 0.426 133 W CB -1.151 28.338 29.460 0.048 0.000 1.913 133 W HN 0.171 nan 8.180 nan 0.000 1.323 134 K N -0.241 120.306 120.400 0.245 0.000 2.402 134 K HA 0.075 4.396 4.320 0.000 0.000 0.203 134 K C 0.383 177.016 176.600 0.054 0.000 1.077 134 K CA 0.780 57.108 56.287 0.068 0.000 1.051 134 K CB 0.225 32.918 32.500 0.323 0.000 0.907 134 K HN 0.141 nan 8.250 nan 0.000 0.554 135 D N 0.520 120.971 120.400 0.085 0.000 3.099 135 D HA -0.121 4.519 4.640 0.000 0.000 0.213 135 D C -1.020 175.327 176.300 0.078 0.000 1.121 135 D CA 1.099 55.138 54.000 0.066 0.000 0.951 135 D CB -0.848 39.975 40.800 0.039 0.000 1.102 135 D HN 0.363 nan 8.370 nan 0.000 0.423 136 K N -1.075 119.388 120.400 0.105 0.000 2.597 136 K HA 0.386 4.706 4.320 0.000 0.000 0.282 136 K C -0.668 176.001 176.600 0.115 0.000 0.975 136 K CA -0.763 55.581 56.287 0.096 0.000 0.867 136 K CB 1.096 33.649 32.500 0.089 0.000 1.465 136 K HN -0.149 nan 8.250 nan 0.000 0.417 137 N N 1.135 119.892 118.700 0.094 0.000 2.735 137 N HA 0.090 4.830 4.740 0.000 0.000 0.312 137 N C 0.056 175.613 175.510 0.079 0.000 1.843 137 N CA -0.283 52.828 53.050 0.100 0.000 0.945 137 N CB 0.215 38.761 38.487 0.097 0.000 1.299 137 N HN 0.587 nan 8.380 nan 0.000 0.489 138 c N 1.359 120.007 118.600 0.080 0.000 2.485 138 c HA 0.043 4.613 4.570 0.000 0.000 0.283 138 c C 0.504 174.626 174.090 0.052 0.000 1.478 138 c CA 1.160 57.526 56.329 0.062 0.000 1.741 138 c CB -2.388 40.161 42.510 0.065 0.000 1.675 138 c HN 0.765 nan 8.230 nan 0.000 0.573 139 T N -0.101 114.489 114.554 0.061 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 2.848 118.561 115.700 0.021 0.000 2.755 140 S HA 0.606 5.076 4.470 0.000 0.000 0.286 140 S C 0.595 175.171 174.600 -0.041 0.000 1.207 140 S CA -0.746 57.450 58.200 -0.006 0.000 0.892 140 S CB 1.066 64.277 63.200 0.018 0.000 1.240 140 S HN 0.846 nan 8.310 nan 0.000 0.525 141 R N -0.363 120.101 120.500 -0.060 0.000 2.323 141 R HA 0.266 4.607 4.340 0.000 0.000 0.198 141 R C 1.022 177.307 176.300 -0.024 0.000 0.988 141 R CA 0.366 56.413 56.100 -0.089 0.000 1.041 141 R CB -0.621 29.629 30.300 -0.083 0.000 0.926 141 R HN 0.412 nan 8.270 nan 0.000 0.476 142 L N 0.362 121.550 121.223 -0.059 0.000 2.102 142 L HA -0.011 4.329 4.340 0.000 0.000 0.202 142 L C 0.269 177.037 176.870 -0.170 0.000 1.076 142 L CA 1.297 56.022 54.840 -0.192 0.000 0.761 142 L CB -0.125 41.772 42.059 -0.270 0.000 0.921 142 L HN -0.066 nan 8.230 nan 0.000 0.444 143 D N 0.305 120.691 120.400 -0.023 0.000 2.346 143 D HA 0.348 4.988 4.640 0.000 0.000 0.267 143 D C 1.099 177.523 176.300 0.208 0.000 1.320 143 D CA 1.057 55.121 54.000 0.107 0.000 0.951 143 D CB 0.814 41.728 40.800 0.190 0.000 1.079 143 D HN 0.311 nan 8.370 nan 0.000 0.509 144 A N 3.161 126.091 122.820 0.184 0.000 2.169 144 A HA -0.303 4.018 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 -0.334 118.711 119.070 -0.042 0.000 2.415 145 H HA 0.036 4.592 4.556 0.000 0.000 0.297 145 H C 1.927 177.201 175.328 -0.091 0.000 1.048 145 H CA 1.239 57.254 56.048 -0.055 0.000 1.365 145 H CB 0.008 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 0.796 121.170 120.400 -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 56.642 56.287 -0.198 0.000 0.939 146 K CB -0.677 31.570 32.500 -0.423 0.000 0.717 146 K HN 0.055 nan 8.250 nan 0.000 0.438 147 V N 2.153 121.892 119.914 -0.291 0.000 2.332 147 V HA -0.222 3.898 4.120 0.000 0.000 0.248 147 V C 2.448 178.503 176.094 -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 0.440 121.617 121.223 -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 1.905 56.727 54.840 -0.031 0.000 0.745 148 L CB -0.742 41.274 42.059 -0.071 0.000 0.898 148 L HN 0.524 nan 8.230 nan 0.000 0.433 149 S N -0.152 115.569 115.700 0.036 0.000 2.453 149 S HA -0.043 4.427 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 -0.280 62.941 63.200 0.036 0.000 0.774 149 S HN 0.331 nan 8.310 nan 0.000 0.510 150 A N 1.473 124.312 122.820 0.032 0.000 1.930 150 A HA 0.201 4.521 4.320 0.000 0.000 0.217 150 A C 2.113 179.743 177.584 0.077 0.000 1.175 150 A CA 1.171 53.237 52.037 0.049 0.000 0.627 150 A CB -0.638 18.379 19.000 0.029 0.000 0.815 150 A HN 0.479 nan 8.150 nan 0.000 0.443 151 L N -0.634 120.653 121.223 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 1.998 56.935 54.840 0.163 0.000 0.809 151 L CB -0.486 41.694 42.059 0.202 0.000 0.933 151 L HN 0.540 nan 8.230 nan 0.000 0.449 152 Q N -0.128 119.794 119.800 0.205 0.000 2.050 152 Q HA -0.155 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 2.182 58.067 55.803 0.135 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 0.271 123.144 122.820 0.087 0.000 1.892 153 A HA -0.191 4.129 4.320 0.000 0.000 0.218 153 A C 2.278 179.910 177.584 0.080 0.000 1.188 153 A CA 2.310 54.389 52.037 0.071 0.000 0.631 153 A CB -1.461 17.576 19.000 0.063 0.000 0.822 153 A HN 0.651 nan 8.150 nan 0.000 0.447 154 V N -2.160 117.806 119.914 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 2.370 64.728 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 1.238 121.155 119.800 0.195 0.000 2.049 155 Q HA 0.029 4.369 4.340 0.000 0.000 0.198 155 Q C 2.459 178.524 176.000 0.108 0.000 0.971 155 Q CA 1.644 57.572 55.803 0.209 0.000 0.833 155 Q CB -0.663 28.163 28.738 0.148 0.000 0.896 155 Q HN 0.731 nan 8.270 nan 0.000 0.434 156 G N 0.970 109.816 108.800 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 0.463 45.590 45.100 0.045 0.000 0.767 156 G HN 0.156 nan 8.290 nan 0.000 0.550 157 L N -0.256 121.002 121.223 0.058 0.000 2.083 157 L HA 0.025 4.365 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 0.649 55.518 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 -0.656 120.590 121.223 0.038 0.000 1.988 158 L HA -0.082 4.258 4.340 0.000 0.000 0.207 158 L C 1.398 178.243 176.870 -0.043 0.000 1.071 158 L CA 1.029 55.842 54.840 -0.045 0.000 0.744 158 L CB 0.037 41.933 42.059 -0.272 0.000 0.893 158 L HN -0.034 nan 8.230 nan 0.000 0.433 159 V N 1.253 121.137 119.914 -0.049 0.000 2.149 159 V HA 0.328 4.448 4.120 0.000 0.000 0.245 159 V C 0.846 176.924 176.094 -0.026 0.000 1.349 159 V CA 0.475 62.737 62.300 -0.064 0.000 1.289 159 V CB -0.197 31.577 31.823 -0.082 0.000 1.401 159 V HN 0.534 nan 8.190 nan 0.000 0.501 160 A N 3.625 126.440 122.820 -0.009 0.000 2.164 160 A HA 0.546 4.867 4.320 0.000 0.000 0.218 160 A C 1.366 178.957 177.584 0.011 0.000 2.050 160 A CA 1.097 53.138 52.037 0.008 0.000 0.910 160 A CB -0.427 18.585 19.000 0.020 0.000 1.391 160 A HN 1.789 nan 8.150 nan 0.000 0.614 161 Q N -0.911 118.904 119.800 0.024 0.000 2.459 161 Q HA -0.079 4.261 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 0.953 109.771 108.800 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 0.312 120.830 120.500 0.029 0.000 2.236 163 R HA 0.442 4.782 4.340 0.000 0.000 0.208 163 R C 2.494 178.812 176.300 0.029 0.000 1.036 163 R CA 1.158 57.275 56.100 0.028 0.000 1.001 163 R CB -0.295 30.023 30.300 0.031 0.000 0.896 163 R HN 0.259 nan 8.270 nan 0.000 0.464 164 A N 1.449 124.289 122.820 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 1.535 53.592 52.037 0.034 0.000 0.620 164 A CB -0.426 18.599 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 0.777 177.085 176.300 0.012 0.000 1.236 165 D CA 1.982 55.991 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 -0.031 115.677 115.700 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 -0.157 58.050 58.200 0.012 0.000 0.976 166 S CB 0.349 63.559 63.200 0.015 0.000 0.949 166 S HN 0.351 nan 8.310 nan 0.000 0.584 167 Q N 0.720 120.522 119.800 0.004 0.000 2.242 167 Q HA 0.117 4.457 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 -0.058 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 1.782 179.351 177.584 -0.025 0.000 1.158 168 A CA 1.855 53.891 52.037 -0.002 0.000 0.661 168 A CB -0.476 18.519 19.000 -0.009 0.000 0.801 168 A HN 0.988 nan 8.150 nan 0.000 0.452 169 Q N -2.150 117.611 119.800 -0.065 0.000 2.347 169 Q HA -0.211 4.129 4.340 0.000 0.000 0.159 169 Q C 0.601 176.470 176.000 -0.219 0.000 0.568 169 Q CA 1.482 57.226 55.803 -0.098 0.000 1.340 169 Q CB -3.102 25.610 28.738 -0.042 0.000 1.236 169 Q HN 1.858 nan 8.270 nan 0.000 0.988 170 L N -1.627 119.424 121.223 -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 -0.904 53.621 54.840 -0.526 0.000 0.805 170 L CB 1.422 43.110 42.059 -0.618 0.000 1.174 170 L HN 0.491 nan 8.230 nan 0.000 0.434 171 L N 4.596 125.462 121.223 -0.595 0.000 2.401 171 L HA 0.607 4.947 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 -0.881 53.727 54.840 -0.387 0.000 0.818 171 L CB 2.310 44.223 42.059 -0.243 0.000 1.321 171 L HN 0.729 nan 8.230 nan 0.000 0.413 172 L N 3.111 124.225 121.223 -0.181 0.000 2.518 172 L HA 0.489 4.830 4.340 0.000 0.000 0.262 172 L C -1.109 175.796 176.870 0.058 0.000 0.982 172 L CA 0.178 55.003 54.840 -0.026 0.000 0.873 172 L CB 1.706 43.808 42.059 0.072 0.000 1.198 172 L HN 0.465 nan 8.230 nan 0.000 0.427 173 S N 1.982 117.742 115.700 0.101 0.000 2.525 173 S HA 0.860 5.331 4.470 0.000 0.000 0.290 173 S C -0.337 174.381 174.600 0.196 0.000 1.152 173 S CA -0.415 57.883 58.200 0.162 0.000 1.072 173 S CB 1.438 64.797 63.200 0.266 0.000 1.027 173 S HN 0.664 nan 8.310 nan 0.000 0.500 174 T N -0.768 113.880 114.554 0.157 0.000 3.078 174 T HA 0.473 4.823 4.350 0.000 0.000 0.328 174 T C -0.559 174.192 174.700 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 0.651 120.678 119.914 0.188 0.000 2.370 175 V HA 0.811 4.931 4.120 0.000 0.000 0.283 175 V C -0.277 175.909 176.094 0.153 0.000 1.023 175 V CA -0.902 61.472 62.300 0.123 0.000 0.857 175 V CB 1.285 33.171 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 1.207 177.228 176.094 -0.123 0.000 1.040 176 V CA 0.329 62.621 62.300 -0.014 0.000 0.866 176 V CB 0.880 32.661 31.823 -0.070 0.000 1.019 176 V HN 1.134 nan 8.190 nan 0.000 0.468 177 G N 3.550 112.326 108.800 -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 0.575 nan 8.290 nan 0.000 0.500 178 V N 3.465 122.965 119.914 -0.690 0.000 2.383 178 V HA 0.222 4.342 4.120 0.000 0.000 0.261 178 V C -0.911 174.997 176.094 -0.310 0.000 0.987 178 V CA -0.696 61.368 62.300 -0.394 0.000 0.853 178 V CB -0.140 31.564 31.823 -0.198 0.000 1.095 178 V HN 0.588 nan 8.190 nan 0.000 0.461 179 F N 2.670 122.667 119.950 0.077 0.000 2.405 179 F HA 0.450 4.977 4.527 0.000 0.000 0.358 179 F C 1.373 177.283 175.800 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 0.174 114.860 114.554 0.221 0.000 2.881 180 T HA 0.802 5.152 4.350 0.000 0.000 0.278 180 T C 0.348 175.186 174.700 0.230 0.000 0.982 180 T CA -0.919 61.251 62.100 0.116 0.000 0.989 180 T CB 1.541 70.404 68.868 -0.009 0.000 1.058 180 T HN 0.598 nan 8.240 nan 0.000 0.529 181 A N 1.392 124.274 122.820 0.103 0.000 2.280 181 A HA 0.652 4.972 4.320 0.000 0.000 0.268 181 A C -2.428 175.210 177.584 0.090 0.000 1.111 181 A CA -1.788 50.355 52.037 0.176 0.000 0.814 181 A CB -0.860 18.175 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 0.578 177.876 177.300 -0.003 0.000 1.235 182 P CA 1.459 64.573 63.100 0.023 0.000 0.772 182 P CB 0.745 32.462 31.700 0.028 0.000 0.871 183 G N 2.584 111.351 108.800 -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 2.126 123.295 121.223 -0.090 0.000 2.288 184 L HA 0.370 4.710 4.340 0.000 0.000 0.283 184 L C 0.471 177.254 176.870 -0.145 0.000 1.072 184 L CA -0.918 53.886 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 0.247 nan 8.230 nan 0.000 0.432 185 H N 6.431 125.433 119.070 -0.114 0.000 3.224 185 H HA 0.102 4.658 4.556 0.000 0.000 0.265 185 H C -0.128 175.062 175.328 -0.229 0.000 1.461 185 H CA -0.612 55.344 56.048 -0.153 0.000 1.509 185 H CB 0.058 29.770 29.762 -0.084 0.000 1.686 185 H HN 0.465 nan 8.280 nan 0.000 0.514 186 L N 0.238 121.275 121.223 -0.310 0.000 2.397 186 L HA 0.292 4.632 4.340 0.000 0.000 0.271 186 L C 0.189 176.831 176.870 -0.382 0.000 1.148 186 L CA -0.431 54.197 54.840 -0.354 0.000 0.825 186 L CB 0.635 42.462 42.059 -0.387 0.000 1.117 186 L HN 0.121 nan 8.230 nan 0.000 0.456 187 K N 1.426 121.731 120.400 -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 0.197 0.000 1.010 187 K CA -0.385 55.912 56.287 0.017 0.000 0.940 187 K CB 1.067 33.591 32.500 0.040 0.000 0.983 187 K HN 0.739 nan 8.250 nan 0.000 0.475 188 Q N 3.189 123.164 119.800 0.293 0.000 1.990 188 Q HA -0.079 4.261 4.340 0.000 0.000 0.200 188 Q C -1.016 175.152 176.000 0.279 0.000 0.980 188 Q CA 1.800 57.828 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 1.135 178.561 177.300 0.210 0.000 1.146 189 P CA 1.042 64.257 63.100 0.192 0.000 0.808 189 P CB -0.326 31.473 31.700 0.165 0.000 0.779 190 F N 1.419 121.425 119.950 0.094 0.000 2.134 190 F HA -0.181 4.346 4.527 0.000 0.000 0.299 190 F C 1.968 177.817 175.800 0.083 0.000 1.097 190 F CA 1.405 59.444 58.000 0.064 0.000 1.264 190 F CB -0.784 38.244 39.000 0.047 0.000 1.001 190 F HN -0.312 nan 8.300 nan 0.000 0.479 191 V N 0.420 120.460 119.914 0.211 0.000 2.515 191 V HA -0.281 3.839 4.120 0.000 0.000 0.250 191 V C 2.231 178.328 176.094 0.004 0.000 1.058 191 V CA 2.044 64.420 62.300 0.127 0.000 1.064 191 V CB -0.896 31.135 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 -0.093 4.247 4.340 0.000 0.000 0.202 192 Q C 2.412 178.371 176.000 -0.068 0.000 0.970 192 Q CA 1.460 57.271 55.803 0.014 0.000 0.855 192 Q CB -0.447 28.334 28.738 0.071 0.000 0.911 192 Q HN 0.729 nan 8.270 nan 0.000 0.438 193 G N 0.886 109.571 108.800 -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 -0.289 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 1.466 122.510 121.223 -0.299 0.000 2.127 194 L HA 0.038 4.378 4.340 0.000 0.000 0.211 194 L C 3.258 180.118 176.870 -0.017 0.000 1.089 194 L CA 1.568 56.336 54.840 -0.120 0.000 0.757 194 L CB -0.793 41.188 42.059 -0.129 0.000 0.899 194 L HN 0.290 nan 8.230 nan 0.000 0.434 195 A N -0.978 121.816 122.820 -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 1.579 53.606 52.037 -0.017 0.000 0.631 195 A CB -0.660 18.332 19.000 -0.013 0.000 0.814 195 A HN 0.324 nan 8.150 nan 0.000 0.446 196 L N -1.972 119.251 121.223 -0.000 0.000 2.093 196 L HA -0.136 4.205 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 1.649 56.506 54.840 0.028 0.000 0.755 196 L CB -0.900 41.157 42.059 -0.003 0.000 0.904 196 L HN 0.599 nan 8.230 nan 0.000 0.435 197 Y N -0.484 119.792 120.300 -0.040 0.000 2.184 197 Y HA -0.017 4.533 4.550 0.000 0.000 0.290 197 Y C 1.200 177.114 175.900 0.024 0.000 1.129 197 Y CA 1.025 59.124 58.100 -0.002 0.000 1.144 197 Y CB -0.039 38.423 38.460 0.003 0.000 0.995 197 Y HN 0.127 nan 8.280 nan 0.000 0.513 198 T N -0.309 114.169 114.554 -0.126 0.000 2.956 198 T HA 0.347 4.697 4.350 0.000 0.000 0.312 198 T C -2.370 172.282 174.700 -0.080 0.000 1.151 198 T CA -1.841 60.140 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 -0.175 nan 8.240 nan 0.000 0.473 199 P HA 0.043 nan 4.420 nan 0.000 0.216 199 P C 0.372 177.649 177.300 -0.038 0.000 1.153 199 P CA 0.552 63.630 63.100 -0.036 0.000 0.848 199 P CB 0.040 31.724 31.700 -0.026 0.000 0.787 200 V N 1.328 121.217 119.914 -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 0.096 62.373 62.300 -0.038 0.000 1.211 200 V CB -0.401 31.407 31.823 -0.026 0.000 1.338 200 V HN -0.175 nan 8.190 nan 0.000 0.499 201 V N 6.634 126.523 119.914 -0.041 0.000 2.347 201 V HA 0.414 4.534 4.120 0.000 0.000 0.280 201 V C 0.035 176.102 176.094 -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 7.888 129.061 121.223 -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 -1.393 53.401 54.840 -0.077 0.000 0.956 202 L CB 1.682 43.743 42.059 0.003 0.000 1.282 202 L HN 0.442 nan 8.230 nan 0.000 0.470 203 P HA 0.318 nan 4.420 nan 0.000 0.282 203 P C -0.797 176.440 177.300 -0.105 0.000 1.262 203 P CA -0.383 62.639 63.100 -0.130 0.000 0.773 203 P CB 1.418 33.168 31.700 0.082 0.000 0.879 204 R N 1.487 121.873 120.500 -0.191 0.000 2.536 204 R HA 0.344 4.684 4.340 0.000 0.000 0.269 204 R C -0.148 176.155 176.300 0.004 0.000 1.113 204 R CA -0.374 55.661 56.100 -0.107 0.000 0.948 204 R CB 1.563 31.717 30.300 -0.243 0.000 1.237 204 R HN 0.565 nan 8.270 nan 0.000 0.441 205 S N 2.718 118.420 115.700 0.003 0.000 2.600 205 S HA 0.611 5.081 4.470 0.000 0.000 0.265 205 S C -0.424 174.191 174.600 0.026 0.000 1.325 205 S CA -0.519 57.708 58.200 0.045 0.000 1.002 205 S CB 1.262 64.465 63.200 0.006 0.000 0.921 205 S HN 0.433 nan 8.310 nan 0.000 0.554 206 L N 0.433 121.686 121.223 0.050 0.000 2.612 206 L HA 0.520 4.860 4.340 0.000 0.000 0.256 206 L C -1.926 174.889 176.870 -0.092 0.000 0.949 206 L CA -0.339 54.427 54.840 -0.123 0.000 0.867 206 L CB 2.195 44.039 42.059 -0.358 0.000 1.417 206 L HN 0.840 nan 8.230 nan 0.000 0.414 207 D N 2.234 122.533 120.400 -0.168 0.000 2.411 207 D HA 0.260 4.900 4.640 0.000 0.000 0.225 207 D C 0.351 176.567 176.300 -0.140 0.000 1.156 207 D CA 0.249 54.207 54.000 -0.070 0.000 0.874 207 D CB 0.230 40.995 40.800 -0.059 0.000 1.034 207 D HN 0.408 nan 8.370 nan 0.000 0.502 208 F N 1.022 120.960 119.950 -0.021 0.000 2.780 208 F HA -0.025 4.502 4.527 0.000 0.000 0.299 208 F C 2.562 178.354 175.800 -0.014 0.000 1.146 208 F CA 0.517 58.506 58.000 -0.018 0.000 1.428 208 F CB -0.038 38.956 39.000 -0.009 0.000 1.115 208 F HN 0.385 nan 8.300 nan 0.000 0.583 209 T N -2.125 112.505 114.554 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 0.938 63.082 62.100 0.073 0.000 1.140 209 T CB -0.447 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 1.097 121.300 120.200 0.005 0.000 2.014 210 E HA 0.380 4.730 4.350 0.000 0.000 0.275 210 E C 0.649 177.226 176.600 -0.038 0.000 0.997 210 E CA -0.295 56.094 56.400 -0.017 0.000 0.804 210 E CB 1.025 30.704 29.700 -0.035 0.000 1.090 210 E HN 0.376 nan 8.360 nan 0.000 0.401 211 L N 2.257 123.475 121.223 -0.007 0.000 2.072 211 L HA -0.167 4.174 4.340 0.000 0.000 0.205 211 L C 1.427 178.274 176.870 -0.039 0.000 1.079 211 L CA 0.838 55.673 54.840 -0.009 0.000 0.752 211 L CB -0.145 41.933 42.059 0.032 0.000 0.906 211 L HN 0.440 nan 8.230 nan 0.000 0.436 212 D N 0.048 120.432 120.400 -0.027 0.000 2.104 212 D HA -0.158 4.483 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 1.225 55.207 54.000 -0.030 0.000 0.830 212 D CB -0.250 40.540 40.800 -0.018 0.000 0.959 212 D HN 0.112 nan 8.370 nan 0.000 0.452 213 V N 1.071 120.946 119.914 -0.064 0.000 2.548 213 V HA -0.122 3.998 4.120 0.000 0.000 0.249 213 V C 2.422 178.439 176.094 -0.129 0.000 1.055 213 V CA 1.479 63.731 62.300 -0.081 0.000 1.065 213 V CB -0.658 31.121 31.823 -0.073 0.000 0.681 213 V HN 0.166 nan 8.190 nan 0.000 0.462 214 A N 0.332 123.047 122.820 -0.175 0.000 1.873 214 A HA -0.032 4.288 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 1.851 53.712 52.037 -0.292 0.000 0.616 214 A CB -0.835 17.894 19.000 -0.451 0.000 0.823 214 A HN 0.524 nan 8.150 nan 0.000 0.442 215 A N 0.848 123.573 122.820 -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 -1.052 119.102 120.200 -0.077 0.000 2.107 216 E HA -0.161 4.189 4.350 0.000 0.000 0.191 216 E C 1.702 178.262 176.600 -0.067 0.000 0.982 216 E CA 1.011 57.377 56.400 -0.056 0.000 0.809 216 E CB -0.197 29.477 29.700 -0.043 0.000 0.756 216 E HN 0.302 nan 8.360 nan 0.000 0.459 217 K N 0.527 120.868 120.400 -0.099 0.000 2.167 217 K HA -0.013 4.307 4.320 0.000 0.000 0.203 217 K C 2.080 178.613 176.600 -0.112 0.000 1.052 217 K CA 0.448 56.676 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 2.117 122.568 120.570 -0.198 0.000 2.361 218 I HA -0.245 3.925 4.170 0.000 0.000 0.251 218 I C 1.502 177.550 176.117 -0.114 0.000 1.133 218 I CA 1.550 62.681 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 0.104 120.467 120.400 -0.061 0.000 2.123 219 D HA -0.125 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 -0.237 120.248 120.500 -0.025 0.000 2.120 220 R HA -0.105 4.235 4.340 0.000 0.000 0.234 220 R C 2.226 178.515 176.300 -0.018 0.000 1.123 220 R CA 0.719 56.802 56.100 -0.027 0.000 0.975 220 R CB -0.319 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 0.679 120.550 119.950 -0.131 0.000 2.074 221 F HA -0.184 4.343 4.527 0.000 0.000 0.293 221 F C 2.177 177.885 175.800 -0.153 0.000 1.116 221 F CA 1.285 59.214 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 0.507 119.978 119.600 -0.215 0.000 2.067 222 M HA -0.236 4.244 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 1.721 56.760 55.300 -0.435 0.000 1.117 222 M CB -1.566 30.776 32.600 -0.429 0.000 1.334 222 M HN 0.335 nan 8.290 nan 0.000 0.407 223 Q N -0.464 119.146 119.800 -0.317 0.000 2.181 223 Q HA -0.107 4.233 4.340 0.000 0.000 0.205 223 Q C 2.135 177.919 176.000 -0.361 0.000 0.980 223 Q CA 1.620 57.237 55.803 -0.309 0.000 0.862 223 Q CB -0.269 28.373 28.738 -0.160 0.000 0.905 223 Q HN 0.577 nan 8.270 nan 0.000 0.429 224 A N 0.159 122.775 122.820 -0.340 0.000 1.872 224 A HA -0.101 4.219 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 1.150 52.989 52.037 -0.331 0.000 0.614 224 A CB -0.461 18.382 19.000 -0.261 0.000 0.826 224 A HN 0.195 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 2.984 178.714 176.094 -0.606 0.000 1.041 225 V CA 2.402 64.329 62.300 -0.620 0.000 1.025 225 V CB -1.262 30.055 31.823 -0.844 0.000 0.656 225 V HN 0.833 nan 8.190 nan 0.000 0.451 226 T N -2.015 112.084 114.554 -0.757 0.000 2.735 226 T HA 0.196 4.547 4.350 0.000 0.000 0.256 226 T C 1.587 175.481 174.700 -1.342 0.000 1.042 226 T CA 1.267 62.676 62.100 -1.153 0.000 1.147 226 T CB -0.210 67.789 68.868 -1.448 0.000 0.865 226 T HN 1.226 nan 8.240 nan 0.000 0.421 227 G N 0.976 109.151 108.800 -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 -0.416 174.163 174.900 -0.535 0.000 1.027 227 G CA -0.234 44.455 45.100 -0.684 0.000 0.717 227 G HN 1.034 nan 8.290 nan 0.000 0.501 228 W N -1.085 120.006 121.300 -0.349 0.000 3.425 228 W HA 0.782 5.442 4.660 0.000 0.000 0.318 228 W C -0.561 175.758 176.519 -0.332 0.000 1.201 228 W CA -2.455 54.583 57.345 -0.513 0.000 1.212 228 W CB 0.671 29.593 29.460 -0.896 0.000 1.355 228 W HN 0.038 nan 8.180 nan 0.000 0.515 229 K N 2.822 123.214 120.400 -0.013 0.000 2.382 229 K HA 0.291 4.611 4.320 0.000 0.000 0.286 229 K C 0.423 177.207 176.600 0.306 0.000 1.062 229 K CA 0.191 56.561 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 -0.754 113.981 114.554 0.302 0.000 2.909 230 T HA 0.363 4.714 4.350 0.000 0.000 0.286 230 T C 0.848 175.716 174.700 0.280 0.000 1.002 230 T CA -1.046 61.283 62.100 0.381 0.000 1.074 230 T CB 1.568 70.721 68.868 0.475 0.000 0.984 230 T HN 0.477 nan 8.240 nan 0.000 0.495 231 G N 1.860 110.819 108.800 0.265 0.000 2.852 231 G HA2 0.403 4.364 3.960 0.000 0.000 0.280 231 G HA3 0.403 4.364 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 -0.453 44.767 45.100 0.199 0.000 2.037 231 G HN 1.225 nan 8.290 nan 0.000 0.560 232 C N -0.520 118.858 119.300 0.130 0.000 0.168 232 C HA 0.056 4.516 4.460 0.000 0.000 0.017 232 C C 0.717 175.758 174.990 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 26.455 27.740 0.056 0.000 3.212 232 C HN 1.157 nan 8.230 nan 0.000 1.118 233 S N -0.990 114.740 115.700 0.049 0.000 2.552 233 S HA 0.669 5.140 4.470 0.000 0.000 0.272 233 S C -0.497 174.109 174.600 0.009 0.000 1.150 233 S CA 0.286 58.514 58.200 0.047 0.000 0.849 233 S CB 1.160 64.424 63.200 0.107 0.000 1.113 233 S HN 2.433 nan 8.310 nan 0.000 0.458 234 L N 1.863 123.096 121.223 0.018 0.000 3.865 234 L HA -0.091 4.249 4.340 0.000 0.000 0.408 234 L C -0.247 176.630 176.870 0.013 0.000 1.209 234 L CA 0.828 55.687 54.840 0.031 0.000 0.940 234 L CB -0.937 41.130 42.059 0.013 0.000 1.971 234 L HN 0.815 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 0.453 4.933 4.480 0.000 0.000 0.356 235 M C 1.495 177.779 176.300 -0.027 0.000 1.303 235 M CA 1.110 56.383 55.300 -0.045 0.000 1.116 235 M CB 0.216 32.737 32.600 -0.132 0.000 1.632 235 M HN 0.646 nan 8.290 nan 0.000 0.469 236 G N 4.065 112.873 108.800 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 0.010 174.933 174.900 0.039 0.000 1.024 236 G CA 0.378 45.498 45.100 0.035 0.000 0.755 236 G HN 1.191 nan 8.290 nan 0.000 0.507 237 A N -0.264 122.584 122.820 0.046 0.000 2.309 237 A HA 0.839 5.159 4.320 0.000 0.000 0.298 237 A C 0.722 178.343 177.584 0.062 0.000 1.165 237 A CA 0.773 52.847 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 0.988 116.716 115.700 0.047 0.000 2.600 238 S HA 0.238 4.708 4.470 0.000 0.000 0.265 238 S C 1.395 176.030 174.600 0.059 0.000 1.325 238 S CA -0.305 57.920 58.200 0.041 0.000 1.002 238 S CB 0.650 63.863 63.200 0.023 0.000 0.921 238 S HN 0.630 nan 8.310 nan 0.000 0.554 239 V N 1.771 121.716 119.914 0.052 0.000 2.379 239 V HA -0.035 4.085 4.120 0.000 0.000 0.245 239 V C 1.332 177.461 176.094 0.059 0.000 1.044 239 V CA 1.550 63.889 62.300 0.065 0.000 1.036 239 V CB -0.481 31.370 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 0.214 4.854 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 -0.793 114.879 115.700 -0.047 0.000 2.704 241 S HA 0.568 5.038 4.470 0.000 0.000 0.296 241 S C 0.989 175.411 174.600 -0.297 0.000 1.138 241 S CA -0.549 57.556 58.200 -0.160 0.000 0.875 241 S CB 2.061 65.150 63.200 -0.185 0.000 1.151 241 S HN 0.432 nan 8.310 nan 0.000 0.500 242 T N -1.843 112.458 114.554 -0.422 0.000 3.388 242 T HA 0.325 4.676 4.350 0.000 0.000 0.254 242 T C 0.197 174.526 174.700 -0.619 0.000 1.002 242 T CA -0.229 61.599 62.100 -0.454 0.000 1.164 242 T CB -0.284 68.463 68.868 -0.202 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 -0.914 175.858 176.870 -0.164 0.000 1.107 243 L CA -0.336 54.385 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 5.236 128.098 122.820 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 0.325 0.000 1.153 244 A CA -0.456 51.714 52.037 0.221 0.000 0.780 244 A CB -0.192 19.055 19.000 0.413 0.000 1.258 244 A HN 0.604 nan 8.150 nan 0.000 0.460 245 F N 2.568 122.588 119.950 0.117 0.000 2.464 245 F HA 0.371 4.898 4.527 0.000 0.000 0.353 245 F C -0.267 175.618 175.800 0.141 0.000 1.191 245 F CA 0.036 58.112 58.000 0.127 0.000 1.147 245 F CB 0.238 39.282 39.000 0.073 0.000 1.294 245 F HN 0.470 nan 8.300 nan 0.000 0.583 246 N N 3.237 122.017 118.700 0.132 0.000 2.446 246 N HA 0.250 4.991 4.740 0.000 0.000 0.265 246 N C -0.756 174.825 175.510 0.118 0.000 0.975 246 N CA -0.497 52.649 53.050 0.160 0.000 0.928 246 N CB 1.598 40.279 38.487 0.322 0.000 1.160 246 N HN 0.290 nan 8.380 nan 0.000 0.495 247 T N 2.156 116.748 114.554 0.063 0.000 2.817 247 T HA 0.303 4.653 4.350 0.000 0.000 0.293 247 T C -0.527 174.182 174.700 0.016 0.000 0.964 247 T CA 0.120 62.301 62.100 0.134 0.000 1.085 247 T CB 0.157 69.153 68.868 0.214 0.000 0.921 247 T HN 0.253 nan 8.240 nan 0.000 0.502 248 Y N 1.545 121.951 120.300 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 0.381 0.000 2.715 249 V HA 0.556 4.676 4.120 0.000 0.000 0.310 249 V C -1.583 174.673 176.094 0.270 0.000 1.054 249 V CA -0.564 61.941 62.300 0.341 0.000 0.928 249 V CB 1.921 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 -1.983 173.248 175.328 -0.162 0.000 0.979 250 H CA -0.496 55.339 56.048 -0.355 0.000 1.326 250 H CB 1.471 30.361 29.762 -1.453 0.000 1.600 250 H HN 0.619 nan 8.280 nan 0.000 0.520 251 F N 4.789 124.287 119.950 -0.754 0.000 2.411 251 F HA 0.361 4.888 4.527 0.000 0.000 0.352 251 F C -0.622 174.589 175.800 -0.983 0.000 1.123 251 F CA -0.422 57.119 58.000 -0.765 0.000 1.044 251 F CB 1.370 39.825 39.000 -0.909 0.000 1.135 251 F HN 0.624 nan 8.300 nan 0.000 0.461 252 Q N 3.947 122.975 119.800 -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 3.755 112.074 108.800 -0.801 0.000 3.329 253 G HA2 0.243 4.203 3.960 0.000 0.000 0.313 253 G HA3 0.243 4.203 3.960 0.000 0.000 0.313 253 G C -1.023 173.705 174.900 -0.287 0.000 1.611 253 G CA -0.504 44.195 45.100 -0.669 0.000 0.991 253 G HN 0.478 nan 8.290 nan 0.000 0.508 254 K N 1.742 122.001 120.400 -0.234 0.000 2.276 254 K HA 0.429 4.749 4.320 0.000 0.000 0.283 254 K C 0.095 176.772 176.600 0.129 0.000 1.044 254 K CA 0.108 56.365 56.287 -0.049 0.000 0.944 254 K CB 1.448 33.919 32.500 -0.049 0.000 1.012 254 K HN 0.363 nan 8.250 nan 0.000 0.472 255 M N 3.246 122.893 119.600 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 -0.554 54.788 55.300 0.070 0.000 0.952 255 M CB 1.451 33.745 32.600 -0.511 0.000 1.511 255 M HN 0.241 nan 8.290 nan 0.000 0.422 256 K N 1.370 121.949 120.400 0.300 0.000 2.326 256 K HA 0.376 4.696 4.320 0.000 0.000 0.275 256 K C 0.940 177.768 176.600 0.379 0.000 1.018 256 K CA 0.481 56.938 56.287 0.283 0.000 0.962 256 K CB 0.826 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 0.221 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 -0.535 174.236 174.900 -0.215 0.000 1.039 257 G CA -0.357 44.756 45.100 0.022 0.000 0.759 257 G HN 0.465 nan 8.290 nan 0.000 0.501 258 F N -0.316 119.665 119.950 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 0.026 0.000 1.075 258 F CA -0.753 57.267 58.000 0.033 0.000 0.945 258 F CB 2.539 41.554 39.000 0.024 0.000 1.310 258 F HN 0.092 nan 8.300 nan 0.000 0.467 259 S N 2.116 117.938 115.700 0.203 0.000 2.533 259 S HA 0.412 4.882 4.470 0.000 0.000 0.271 259 S C -1.817 172.847 174.600 0.105 0.000 1.143 259 S CA -0.632 57.639 58.200 0.120 0.000 0.891 259 S CB 2.077 65.319 63.200 0.070 0.000 1.105 259 S HN 0.560 nan 8.310 nan 0.000 0.468 260 L N 3.866 125.136 121.223 0.079 0.000 2.380 260 L HA 0.501 4.841 4.340 0.000 0.000 0.273 260 L C -1.164 175.737 176.870 0.053 0.000 1.138 260 L CA -0.195 54.683 54.840 0.063 0.000 0.832 260 L CB 0.147 42.235 42.059 0.047 0.000 1.124 260 L HN 0.669 nan 8.230 nan 0.000 0.454 261 L N 5.464 126.718 121.223 0.052 0.000 2.289 261 L HA 0.349 4.689 4.340 0.000 0.000 0.285 261 L C 1.335 178.225 176.870 0.034 0.000 1.049 261 L CA -0.452 54.413 54.840 0.043 0.000 0.804 261 L CB 1.360 43.446 42.059 0.045 0.000 1.195 261 L HN 0.789 nan 8.230 nan 0.000 0.428 262 A N 2.241 125.076 122.820 0.026 0.000 1.968 262 A HA -0.006 4.314 4.320 0.000 0.000 0.217 262 A C 0.762 178.355 177.584 0.016 0.000 1.169 262 A CA 0.829 52.878 52.037 0.020 0.000 0.638 262 A CB -0.096 18.914 19.000 0.017 0.000 0.812 262 A HN 0.704 nan 8.150 nan 0.000 0.446 263 E N 1.317 121.526 120.200 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 -2.211 54.193 56.400 0.008 0.000 0.799 263 E CB 0.850 30.552 29.700 0.004 0.000 1.088 263 E HN 0.296 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 1.434 33.136 31.700 0.003 0.000 0.920 265 Q N 3.123 122.880 119.800 -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 1.044 56.744 55.803 -0.172 0.000 0.892 265 Q CB -0.301 28.308 28.738 -0.214 0.000 0.983 265 Q HN 0.717 nan 8.270 nan 0.000 0.482 266 E N -2.807 117.211 120.200 -0.303 0.000 8.710 266 E HA -0.216 4.134 4.350 0.000 0.000 0.468 266 E C -1.459 174.685 176.600 -0.760 0.000 1.162 266 E CA 0.562 56.746 56.400 -0.360 0.000 2.026 266 E CB -1.302 28.146 29.700 -0.419 0.000 1.008 266 E HN 0.124 nan 8.360 nan 0.000 0.263 267 F N -0.043 119.595 119.950 -0.520 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 -0.368 0.000 0.954 267 F CB 1.570 40.523 39.000 -0.078 0.000 1.337 267 F HN 0.333 nan 8.300 nan 0.000 0.474 268 W N 2.474 123.892 121.300 0.196 0.000 2.338 268 W HA 0.330 4.990 4.660 0.000 0.000 0.315 268 W C 0.598 177.180 176.519 0.105 0.000 1.005 268 W CA -0.566 56.845 57.345 0.109 0.000 1.380 268 W CB 1.478 30.974 29.460 0.060 0.000 1.235 268 W HN 0.365 nan 8.180 nan 0.000 0.409 269 V N 2.811 122.855 119.914 0.217 0.000 2.594 269 V HA -0.206 3.914 4.120 0.000 0.000 0.253 269 V C 0.256 176.433 176.094 0.138 0.000 1.069 269 V CA 2.337 64.717 62.300 0.133 0.000 1.082 269 V CB -0.226 31.630 31.823 0.054 0.000 0.680 269 V HN 0.647 nan 8.190 nan 0.000 0.469 270 D N -3.026 117.479 120.400 0.175 0.000 2.583 270 D HA 0.201 4.841 4.640 0.000 0.000 0.248 270 D C 0.754 177.164 176.300 0.183 0.000 1.209 270 D CA -0.127 53.961 54.000 0.147 0.000 0.848 270 D CB 0.172 41.031 40.800 0.098 0.000 1.431 270 D HN 0.008 nan 8.370 nan 0.000 0.436 271 N N 0.529 119.295 118.700 0.109 0.000 2.184 271 N HA -0.298 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 2.323 55.407 53.050 0.056 0.000 0.867 271 N CB -0.762 37.734 38.487 0.014 0.000 0.993 271 N HN 0.492 nan 8.380 nan 0.000 0.433 272 S N -0.458 115.316 115.700 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 58.849 58.200 0.125 0.000 0.958 272 S CB -1.200 62.050 63.200 0.084 0.000 0.860 272 S HN 0.567 nan 8.310 nan 0.000 0.487 273 T N 1.787 116.444 114.554 0.171 0.000 2.904 273 T HA 0.623 4.973 4.350 0.000 0.000 0.290 273 T C -0.014 174.769 174.700 0.139 0.000 1.018 273 T CA -0.297 61.881 62.100 0.130 0.000 1.075 273 T CB 1.294 70.208 68.868 0.078 0.000 0.986 273 T HN 0.596 nan 8.240 nan 0.000 0.523 274 S N 0.212 115.906 115.700 -0.010 0.000 2.634 274 S HA 0.797 5.267 4.470 0.000 0.000 0.296 274 S C -1.080 173.410 174.600 -0.183 0.000 1.104 274 S CA -0.872 57.174 58.200 -0.256 0.000 0.920 274 S CB 1.616 64.609 63.200 -0.343 0.000 1.111 274 S HN 0.841 nan 8.310 nan 0.000 0.493 275 V N 1.147 120.917 119.914 -0.240 0.000 2.733 275 V HA 0.560 4.680 4.120 0.000 0.000 0.306 275 V C -0.117 175.914 176.094 -0.105 0.000 1.084 275 V CA -0.760 61.470 62.300 -0.116 0.000 0.905 275 V CB 1.869 33.661 31.823 -0.051 0.000 1.010 275 V HN 1.016 nan 8.190 nan 0.000 0.424 276 S N 3.577 119.234 115.700 -0.071 0.000 2.455 276 S HA 0.645 5.115 4.470 0.000 0.000 0.278 276 S C -0.612 173.991 174.600 0.004 0.000 1.216 276 S CA -0.095 58.078 58.200 -0.045 0.000 1.055 276 S CB 0.222 63.398 63.200 -0.039 0.000 0.939 276 S HN 0.593 nan 8.310 nan 0.000 0.494 277 V N 7.574 127.524 119.914 0.059 0.000 3.120 277 V HA 0.547 4.667 4.120 0.000 0.000 0.303 277 V C -2.126 174.056 176.094 0.146 0.000 1.238 277 V CA -1.656 60.702 62.300 0.098 0.000 1.008 277 V CB 2.571 34.462 31.823 0.115 0.000 1.064 277 V HN 0.720 nan 8.190 nan 0.000 0.434 278 P HA 0.382 nan 4.420 nan 0.000 0.282 278 P C -0.957 176.446 177.300 0.172 0.000 1.286 278 P CA -0.227 62.931 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 -1.193 118.483 119.600 0.128 0.000 2.683 279 M HA 0.437 4.917 4.480 0.000 0.000 0.274 279 M C -1.354 175.007 176.300 0.101 0.000 1.272 279 M CA -0.643 54.748 55.300 0.152 0.000 0.833 279 M CB 1.871 34.553 32.600 0.137 0.000 1.708 279 M HN 0.198 nan 8.290 nan 0.000 0.463 280 L N 1.561 122.849 121.223 0.108 0.000 2.518 280 L HA 0.325 4.665 4.340 0.000 0.000 0.262 280 L C -0.117 176.853 176.870 0.167 0.000 0.982 280 L CA -0.559 54.364 54.840 0.139 0.000 0.873 280 L CB 1.891 44.023 42.059 0.121 0.000 1.198 280 L HN 0.791 nan 8.230 nan 0.000 0.427 281 S N 1.064 116.827 115.700 0.104 0.000 2.548 281 S HA 0.720 5.190 4.470 0.000 0.000 0.277 281 S C 0.219 174.728 174.600 -0.151 0.000 1.315 281 S CA -0.356 57.828 58.200 -0.027 0.000 1.050 281 S CB 1.647 64.852 63.200 0.009 0.000 0.918 281 S HN 0.670 nan 8.310 nan 0.000 0.497 282 G N 2.881 111.440 108.800 -0.402 0.000 2.707 282 G HA2 0.575 4.536 3.960 0.000 0.000 0.299 282 G HA3 0.575 4.536 3.960 0.000 0.000 0.299 282 G C -0.837 173.797 174.900 -0.443 0.000 1.442 282 G CA -0.895 43.698 45.100 -0.845 0.000 1.009 282 G HN 0.568 nan 8.290 nan 0.000 0.515 283 M N 1.893 121.274 119.600 -0.365 0.000 2.125 283 M HA 0.757 5.238 4.480 0.000 0.000 0.321 283 M C 0.218 176.393 176.300 -0.210 0.000 0.983 283 M CA -1.311 53.895 55.300 -0.157 0.000 0.934 283 M CB 0.640 33.183 32.600 -0.096 0.000 1.542 283 M HN 0.922 nan 8.290 nan 0.000 0.424 284 G N 1.378 109.992 108.800 -0.312 0.000 2.377 284 G HA2 0.409 4.369 3.960 0.000 0.000 0.297 284 G HA3 0.409 4.369 3.960 0.000 0.000 0.297 284 G C -1.180 173.139 174.900 -0.967 0.000 1.547 284 G CA -0.809 43.869 45.100 -0.703 0.000 0.833 284 G HN 0.696 nan 8.290 nan 0.000 0.583 285 T N -0.109 114.001 114.554 -0.740 0.000 2.997 285 T HA 0.671 5.021 4.350 0.000 0.000 0.311 285 T C -0.119 174.321 174.700 -0.435 0.000 1.079 285 T CA -0.435 61.400 62.100 -0.442 0.000 0.982 285 T CB -0.523 68.225 68.868 -0.200 0.000 1.032 285 T HN 0.338 nan 8.240 nan 0.000 0.581 286 F N 0.845 120.834 119.950 0.066 0.000 2.461 286 F HA 0.610 5.137 4.527 0.000 0.000 0.337 286 F C 0.799 176.685 175.800 0.143 0.000 1.079 286 F CA -1.580 56.473 58.000 0.089 0.000 1.032 286 F CB 0.928 39.973 39.000 0.075 0.000 1.327 286 F HN 0.236 nan 8.300 nan 0.000 0.491 287 Q N 0.357 120.401 119.800 0.407 0.000 2.241 287 Q HA 0.381 4.721 4.340 0.000 0.000 0.254 287 Q C -0.883 175.405 176.000 0.479 0.000 0.917 287 Q CA -0.402 55.658 55.803 0.429 0.000 0.919 287 Q CB 1.258 30.271 28.738 0.459 0.000 1.237 287 Q HN 0.576 nan 8.270 nan 0.000 0.434 288 H N 1.606 120.931 119.070 0.425 0.000 3.151 288 H HA 0.397 4.953 4.556 0.000 0.000 0.333 288 H C -2.127 173.431 175.328 0.383 0.000 1.093 288 H CA -0.863 55.281 56.048 0.160 0.000 1.342 288 H CB 0.821 30.632 29.762 0.081 0.000 1.983 288 H HN 0.825 nan 8.280 nan 0.000 0.503 289 W N 3.424 124.553 121.300 -0.285 0.000 3.259 289 W HA 0.543 5.203 4.660 0.000 0.000 0.331 289 W C -1.585 174.866 176.519 -0.114 0.000 1.144 289 W CA -1.039 56.130 57.345 -0.293 0.000 1.227 289 W CB 0.858 30.250 29.460 -0.114 0.000 1.371 289 W HN 0.571 nan 8.180 nan 0.000 0.491 290 S N 1.545 117.251 115.700 0.009 0.000 2.438 290 S HA 0.270 4.741 4.470 0.000 0.000 0.316 290 S C -0.782 173.923 174.600 0.176 0.000 1.084 290 S CA -0.581 57.711 58.200 0.153 0.000 1.107 290 S CB 1.438 64.793 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 1.005 177.363 176.300 0.097 0.000 1.214 291 D CA -0.765 53.336 54.000 0.168 0.000 0.877 291 D CB 0.424 41.313 40.800 0.148 0.000 1.111 291 D HN 0.511 nan 8.370 nan 0.000 0.478 292 I N 1.295 121.890 120.570 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 0.366 61.655 61.300 -0.019 0.000 1.347 292 I CB -0.509 37.482 38.000 -0.016 0.000 1.051 292 I HN 0.286 nan 8.210 nan 0.000 0.460 293 Q N 1.530 121.355 119.800 0.041 0.000 1.990 293 Q HA -0.105 4.235 4.340 0.000 0.000 0.200 293 Q C 0.824 176.851 176.000 0.044 0.000 0.980 293 Q CA 1.711 57.536 55.803 0.037 0.000 0.832 293 Q CB -0.225 28.535 28.738 0.036 0.000 0.897 293 Q HN 0.578 nan 8.270 nan 0.000 0.427 294 D N 0.035 120.478 120.400 0.072 0.000 2.368 294 D HA 0.087 4.727 4.640 0.000 0.000 0.218 294 D C -0.701 175.706 176.300 0.178 0.000 1.112 294 D CA -0.167 53.898 54.000 0.109 0.000 0.834 294 D CB -0.148 40.717 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 0.518 53.632 53.050 0.106 0.000 0.671 295 N CB -0.995 37.591 38.487 0.165 0.000 0.911 295 N HN 0.197 nan 8.380 nan 0.000 0.531 296 F N 0.295 120.296 119.950 0.083 0.000 2.675 296 F HA 0.808 5.335 4.527 0.000 0.000 0.324 296 F C -0.501 175.469 175.800 0.283 0.000 1.106 296 F CA -0.133 57.970 58.000 0.173 0.000 0.970 296 F CB 1.955 41.013 39.000 0.097 0.000 1.385 296 F HN 0.256 nan 8.300 nan 0.000 0.489 297 S N 1.281 117.088 115.700 0.177 0.000 2.581 297 S HA 0.607 5.077 4.470 0.000 0.000 0.306 297 S C -2.178 172.451 174.600 0.049 0.000 1.080 297 S CA -0.889 57.443 58.200 0.220 0.000 0.925 297 S CB 0.645 63.990 63.200 0.242 0.000 1.128 297 S HN 0.516 nan 8.310 nan 0.000 0.451 298 V N 2.738 122.694 119.914 0.070 0.000 2.569 298 V HA 0.777 4.897 4.120 0.000 0.000 0.301 298 V C 0.334 176.358 176.094 -0.118 0.000 1.044 298 V CA -0.164 62.092 62.300 -0.074 0.000 0.874 298 V CB 1.721 33.479 31.823 -0.109 0.000 1.002 298 V HN 1.152 nan 8.190 nan 0.000 0.424 299 T N 2.073 116.527 114.554 -0.167 0.000 2.948 299 T HA 0.879 5.229 4.350 0.000 0.000 0.285 299 T C -0.612 174.000 174.700 -0.146 0.000 1.019 299 T CA -0.727 61.275 62.100 -0.163 0.000 1.013 299 T CB 2.152 70.862 68.868 -0.263 0.000 1.117 299 T HN 0.808 nan 8.240 nan 0.000 0.533 300 Q N -0.712 119.003 119.800 -0.141 0.000 2.501 300 Q HA 0.722 5.062 4.340 0.000 0.000 0.288 300 Q C -1.760 174.011 176.000 -0.382 0.000 1.051 300 Q CA -1.320 54.380 55.803 -0.172 0.000 0.788 300 Q CB 2.269 30.984 28.738 -0.038 0.000 1.469 300 Q HN 0.577 nan 8.270 nan 0.000 0.416 301 V N 1.699 121.375 119.914 -0.398 0.000 2.467 301 V HA 0.376 4.496 4.120 0.000 0.000 0.260 301 V C -2.688 173.086 176.094 -0.532 0.000 0.963 301 V CA -1.842 60.161 62.300 -0.495 0.000 0.856 301 V CB 1.061 32.553 31.823 -0.552 0.000 1.087 301 V HN 0.655 nan 8.190 nan 0.000 0.467 302 P HA 0.113 nan 4.420 nan 0.000 0.266 302 P C -0.921 176.136 177.300 -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 31.836 31.700 -0.004 0.000 0.820 303 F N 1.134 121.140 119.950 0.092 0.000 2.310 303 F HA 0.260 4.787 4.527 0.000 0.000 0.365 303 F C 0.956 176.791 175.800 0.060 0.000 1.080 303 F CA -0.236 57.804 58.000 0.067 0.000 1.187 303 F CB -0.518 38.514 39.000 0.053 0.000 1.465 303 F HN 0.448 nan 8.300 nan 0.000 0.496 304 T N -1.199 113.463 114.554 0.180 0.000 4.252 304 T HA -0.359 3.991 4.350 0.000 0.000 0.331 304 T C 0.876 175.640 174.700 0.107 0.000 0.771 304 T CA 1.263 63.438 62.100 0.125 0.000 1.939 304 T CB -2.065 66.869 68.868 0.110 0.000 1.907 304 T HN 0.913 nan 8.240 nan 0.000 0.892 305 E N -0.467 119.796 120.200 0.106 0.000 4.711 305 E HA -0.437 3.914 4.350 0.000 0.000 0.183 305 E C 1.329 177.992 176.600 0.106 0.000 1.334 305 E CA 2.600 59.060 56.400 0.100 0.000 2.263 305 E CB -1.675 28.076 29.700 0.085 0.000 1.886 305 E HN 0.909 nan 8.360 nan 0.000 0.347 306 S N 0.405 116.157 115.700 0.088 0.000 2.426 306 S HA -0.262 4.208 4.470 0.000 0.000 0.259 306 S C 0.726 175.370 174.600 0.072 0.000 1.096 306 S CA 2.178 60.417 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 -0.643 122.265 122.820 0.147 0.000 2.306 307 A HA 0.624 4.944 4.320 0.000 0.000 0.314 307 A C -0.489 177.278 177.584 0.306 0.000 1.164 307 A CA -0.380 51.800 52.037 0.240 0.000 0.822 307 A CB 0.855 20.044 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 0.309 0.000 2.607 308 C HA 0.442 4.902 4.460 0.000 0.000 0.350 308 C C -0.618 174.508 174.990 0.226 0.000 1.101 308 C CA -0.551 58.569 59.018 0.171 0.000 1.282 308 C CB 0.900 28.755 27.740 0.192 0.000 1.825 308 C HN 0.893 nan 8.230 nan 0.000 0.460 309 L N 5.378 126.638 121.223 0.063 0.000 2.295 309 L HA 0.522 4.863 4.340 0.000 0.000 0.288 309 L C -0.526 176.391 176.870 0.079 0.000 1.079 309 L CA 0.332 55.282 54.840 0.183 0.000 0.830 309 L CB -0.066 42.108 42.059 0.191 0.000 1.200 309 L HN 0.554 nan 8.230 nan 0.000 0.438 310 L N 6.347 127.652 121.223 0.137 0.000 2.265 310 L HA 0.346 4.686 4.340 0.000 0.000 0.288 310 L C -0.700 176.240 176.870 0.117 0.000 1.058 310 L CA -0.661 54.226 54.840 0.077 0.000 0.809 310 L CB 1.001 43.101 42.059 0.068 0.000 1.179 310 L HN 0.472 nan 8.230 nan 0.000 0.429 311 L N 5.398 126.655 121.223 0.056 0.000 2.283 311 L HA 0.362 4.702 4.340 0.000 0.000 0.281 311 L C -0.206 176.703 176.870 0.065 0.000 1.033 311 L CA -0.091 54.814 54.840 0.108 0.000 0.848 311 L CB 0.954 42.999 42.059 -0.023 0.000 1.226 311 L HN 0.399 nan 8.230 nan 0.000 0.429 312 I N 2.924 123.576 120.570 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 38.502 38.000 0.089 0.000 1.415 312 I HN 0.586 nan 8.210 nan 0.000 0.502 313 Q N 8.918 128.635 119.800 -0.139 0.000 2.290 313 Q HA 0.420 4.760 4.340 0.000 0.000 0.259 313 Q C -2.418 173.436 176.000 -0.243 0.000 0.941 313 Q CA -2.014 53.713 55.803 -0.127 0.000 0.912 313 Q CB 1.670 30.322 28.738 -0.143 0.000 1.244 313 Q HN 0.286 nan 8.270 nan 0.000 0.441 314 P HA 0.041 nan 4.420 nan 0.000 0.282 314 P C -0.295 177.005 177.300 -0.001 0.000 1.274 314 P CA 0.150 63.181 63.100 -0.115 0.000 0.770 314 P CB 1.006 32.703 31.700 -0.005 0.000 0.867 315 H N 3.429 122.485 119.070 -0.023 0.000 2.289 315 H HA -0.200 4.356 4.556 0.000 0.000 0.296 315 H C 1.144 176.489 175.328 0.029 0.000 1.091 315 H CA 2.316 58.385 56.048 0.034 0.000 1.274 315 H CB -0.333 29.504 29.762 0.125 0.000 1.364 315 H HN 0.440 nan 8.280 nan 0.000 0.490 316 Y N -1.296 119.084 120.300 0.134 0.000 2.314 316 Y HA 0.124 4.674 4.550 0.000 0.000 0.294 316 Y C 1.917 177.836 175.900 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 38.759 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 1.073 53.178 52.037 0.114 0.000 0.924 317 A CB -2.289 16.753 19.000 0.069 0.000 1.105 317 A HN 0.405 nan 8.150 nan 0.000 0.765 318 S N -0.520 115.275 115.700 0.158 0.000 2.341 318 S HA 0.092 4.562 4.470 0.000 0.000 0.216 318 S C 0.348 175.005 174.600 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 1.598 122.056 120.400 0.096 0.000 2.460 319 D HA 0.334 4.975 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 1.332 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 0.923 121.457 120.400 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 1.428 55.581 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 4.329 4.320 0.000 0.000 0.204 322 K C 2.233 178.940 176.600 0.178 0.000 1.049 322 K CA 0.465 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 2.043 122.074 119.914 0.195 0.000 2.323 323 V HA -0.191 3.929 4.120 0.000 0.000 0.244 323 V C 2.416 178.689 176.094 0.298 0.000 1.041 323 V CA 1.633 64.088 62.300 0.258 0.000 1.025 323 V CB -0.367 31.562 31.823 0.178 0.000 0.656 323 V HN 0.379 nan 8.190 nan 0.000 0.451 324 E N 1.091 121.445 120.200 0.256 0.000 2.160 324 E HA -0.209 4.141 4.350 0.000 0.000 0.195 324 E C 2.233 178.953 176.600 0.200 0.000 0.991 324 E CA 1.549 58.122 56.400 0.288 0.000 0.810 324 E CB -0.442 29.488 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 3.746 3.960 0.000 0.000 0.220 325 G HA3 -0.215 3.746 3.960 0.000 0.000 0.220 325 G C 1.600 176.508 174.900 0.015 0.000 1.130 325 G CA 0.698 45.826 45.100 0.047 0.000 0.760 325 G HN 0.305 nan 8.290 nan 0.000 0.557 326 L N 1.504 122.793 121.223 0.110 0.000 2.645 326 L HA 0.137 4.477 4.340 0.000 0.000 0.235 326 L C 2.288 179.187 176.870 0.049 0.000 1.150 326 L CA 0.967 55.838 54.840 0.052 0.000 0.911 326 L CB -0.126 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 -5.151 109.481 114.554 0.130 0.000 3.044 327 T HA 0.164 4.514 4.350 0.000 0.000 0.260 327 T C 0.660 175.305 174.700 -0.092 0.000 1.019 327 T CA -0.033 62.119 62.100 0.087 0.000 0.921 327 T CB -0.097 68.892 68.868 0.201 0.000 1.053 327 T HN 0.167 nan 8.240 nan 0.000 0.533 328 F N 0.786 120.578 119.950 -0.263 0.000 2.775 328 F HA 0.461 4.988 4.527 0.000 0.000 0.313 328 F C 0.690 176.240 175.800 -0.418 0.000 1.121 328 F CA -1.051 56.823 58.000 -0.210 0.000 1.206 328 F CB 0.940 39.648 39.000 -0.487 0.000 1.052 328 F HN 0.112 nan 8.300 nan 0.000 0.524 329 Q N 2.205 121.797 119.800 -0.347 0.000 2.472 329 Q HA 0.436 4.776 4.340 0.000 0.000 0.227 329 Q C 0.812 176.490 176.000 -0.535 0.000 1.156 329 Q CA 0.803 56.420 55.803 -0.310 0.000 0.924 329 Q CB 0.088 28.729 28.738 -0.162 0.000 1.354 329 Q HN 0.516 nan 8.270 nan 0.000 0.525 330 Q N 2.533 121.952 119.800 -0.635 0.000 2.390 330 Q HA -0.398 3.942 4.340 0.000 0.000 0.453 330 Q C 0.911 176.722 176.000 -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 26.527 28.738 -0.109 0.000 2.758 330 Q HN 0.961 nan 8.270 nan 0.000 0.985 331 N N 0.818 119.472 118.700 -0.076 0.000 2.494 331 N HA -0.035 4.705 4.740 0.000 0.000 0.182 331 N C 1.701 177.225 175.510 0.024 0.000 1.076 331 N CA 2.411 55.487 53.050 0.043 0.000 0.908 331 N CB -0.404 38.115 38.487 0.052 0.000 0.967 331 N HN 1.288 nan 8.380 nan 0.000 0.449 332 S N 1.192 116.850 115.700 -0.070 0.000 2.368 332 S HA -0.036 4.434 4.470 0.000 0.000 0.224 332 S C 1.882 176.499 174.600 0.028 0.000 1.029 332 S CA 0.484 58.685 58.200 0.002 0.000 0.988 332 S CB -0.434 62.717 63.200 -0.081 0.000 0.838 332 S HN 0.094 nan 8.310 nan 0.000 0.462 333 L N 2.769 123.923 121.223 -0.115 0.000 2.083 333 L HA 0.006 4.346 4.340 0.000 0.000 0.209 333 L C 2.082 178.922 176.870 -0.049 0.000 1.083 333 L CA 1.429 56.208 54.840 -0.102 0.000 0.752 333 L CB -2.223 39.732 42.059 -0.173 0.000 0.899 333 L HN 0.347 nan 8.230 nan 0.000 0.433 334 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 1.695 177.252 175.510 0.078 0.000 1.020 334 N CA 0.790 53.815 53.050 -0.043 0.000 0.858 334 N CB -0.525 37.981 38.487 0.032 0.000 0.991 334 N HN 0.485 nan 8.380 nan 0.000 0.427 335 W N 1.558 122.858 121.300 0.000 0.000 2.699 335 W HA 0.200 4.860 4.660 0.000 0.000 0.249 335 W C 0.026 176.592 176.519 0.078 0.000 1.280 335 W CA -0.061 57.313 57.345 0.049 0.000 1.345 335 W CB -0.235 29.251 29.460 0.044 0.000 1.128 335 W HN -0.135 nan 8.180 nan 0.000 0.642 336 M N 2.571 122.252 119.600 0.134 0.000 2.982 336 M HA -0.032 4.448 4.480 0.000 0.000 0.293 336 M C 0.207 176.648 176.300 0.235 0.000 1.611 336 M CA 1.357 56.747 55.300 0.150 0.000 1.576 336 M CB -0.203 32.490 32.600 0.154 0.000 1.555 336 M HN -0.133 nan 8.290 nan 0.000 0.485 337 K N 1.569 121.941 120.400 -0.047 0.000 3.513 337 K HA 0.089 4.409 4.320 0.000 0.000 0.164 337 K C 0.519 176.730 176.600 -0.647 0.000 1.041 337 K CA -0.081 56.130 56.287 -0.127 0.000 0.761 337 K CB 0.452 32.887 32.500 -0.108 0.000 0.811 337 K HN 0.407 nan 8.250 nan 0.000 0.510 338 K N 0.616 120.226 120.400 -1.315 0.000 2.211 338 K HA -0.008 4.313 4.320 0.000 0.000 0.203 338 K C 0.111 176.096 176.600 -1.024 0.000 1.050 338 K CA 0.902 56.422 56.287 -1.279 0.000 0.945 338 K CB 0.028 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 1.272 121.729 121.223 -1.276 0.000 3.601 339 L HA -0.178 4.162 4.340 0.000 0.000 0.469 339 L C -1.055 175.649 176.870 -0.276 0.000 1.294 339 L CA 0.731 55.284 54.840 -0.479 0.000 0.829 339 L CB -2.450 39.478 42.059 -0.219 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 0.174 0.000 1.095 340 S CA -0.925 57.274 58.200 -0.002 0.000 1.089 340 S CB 1.174 64.382 63.200 0.013 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 -0.622 62.562 63.100 0.140 0.000 0.798 341 P CB 0.874 32.621 31.700 0.079 0.000 0.979 342 R N 0.040 120.628 120.500 0.146 0.000 2.664 342 R HA 0.357 4.697 4.340 0.000 0.000 0.266 342 R C -0.915 175.439 176.300 0.091 0.000 1.046 342 R CA -0.520 55.657 56.100 0.128 0.000 0.885 342 R CB 1.158 31.574 30.300 0.193 0.000 1.254 342 R HN 0.521 nan 8.270 nan 0.000 0.465 343 T N 2.126 116.712 114.554 0.053 0.000 2.738 343 T HA 0.417 4.767 4.350 0.000 0.000 0.293 343 T C 0.288 175.027 174.700 0.065 0.000 0.913 343 T CA -0.453 61.654 62.100 0.012 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 3.174 123.792 120.570 0.080 0.000 2.498 344 I HA 0.252 4.422 4.170 0.000 0.000 0.290 344 I C -0.188 176.030 176.117 0.167 0.000 1.032 344 I CA -1.127 60.265 61.300 0.152 0.000 1.073 344 I CB 1.521 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 6.059 125.156 119.070 0.045 0.000 2.872 345 H HA 0.444 5.000 4.556 0.000 0.000 0.273 345 H C -0.875 174.471 175.328 0.031 0.000 1.205 345 H CA -0.164 55.899 56.048 0.025 0.000 1.342 345 H CB 0.601 30.357 29.762 -0.010 0.000 1.469 345 H HN 0.560 nan 8.280 nan 0.000 0.487 346 L N 5.250 126.341 121.223 -0.220 0.000 2.380 346 L HA 0.317 4.657 4.340 0.000 0.000 0.273 346 L C -0.504 176.192 176.870 -0.291 0.000 1.138 346 L CA 0.030 54.770 54.840 -0.165 0.000 0.832 346 L CB 0.562 42.624 42.059 0.006 0.000 1.124 346 L HN 0.863 nan 8.230 nan 0.000 0.454 347 T N 3.110 117.565 114.554 -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 -0.813 61.233 62.100 -0.091 0.000 1.024 347 T CB 1.196 70.036 68.868 -0.047 0.000 1.018 347 T HN 0.614 nan 8.240 nan 0.000 0.449 348 M N 0.938 120.541 119.600 0.005 0.000 2.569 348 M HA 0.744 5.224 4.480 0.000 0.000 0.279 348 M C -3.221 173.125 176.300 0.076 0.000 1.253 348 M CA -2.328 52.951 55.300 -0.035 0.000 0.867 348 M CB 2.364 34.834 32.600 -0.216 0.000 1.727 348 M HN 0.133 nan 8.290 nan 0.000 0.467 349 P HA 0.006 nan 4.420 nan 0.000 0.271 349 P C -1.253 176.005 177.300 -0.072 0.000 1.218 349 P CA 0.047 63.096 63.100 -0.086 0.000 0.780 349 P CB 0.568 31.917 31.700 -0.585 0.000 0.901 350 Q N 2.698 122.475 119.800 -0.038 0.000 2.281 350 Q HA 0.152 4.493 4.340 0.000 0.000 0.267 350 Q C -0.903 175.047 176.000 -0.084 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 5.020 126.186 121.223 -0.094 0.000 2.265 351 L HA 0.396 4.736 4.340 0.000 0.000 0.289 351 L C -0.232 176.574 176.870 -0.107 0.000 1.033 351 L CA -0.854 53.915 54.840 -0.118 0.000 0.814 351 L CB 1.145 43.120 42.059 -0.139 0.000 1.203 351 L HN 0.420 nan 8.230 nan 0.000 0.423 352 V N 2.842 122.674 119.914 -0.136 0.000 2.658 352 V HA 0.519 4.639 4.120 0.000 0.000 0.259 352 V C -0.721 175.215 176.094 -0.264 0.000 0.933 352 V CA -0.425 61.757 62.300 -0.197 0.000 0.871 352 V CB 0.853 32.617 31.823 -0.099 0.000 1.062 352 V HN 0.597 nan 8.190 nan 0.000 0.479 353 L N 3.584 124.602 121.223 -0.342 0.000 2.409 353 L HA 0.674 5.014 4.340 0.000 0.000 0.262 353 L C 0.087 176.765 176.870 -0.320 0.000 0.992 353 L CA -0.764 53.919 54.840 -0.262 0.000 0.817 353 L CB 2.643 44.618 42.059 -0.140 0.000 1.350 353 L HN 0.697 nan 8.230 nan 0.000 0.411 354 Q N 1.508 121.236 119.800 -0.120 0.000 2.247 354 Q HA 0.688 5.028 4.340 0.000 0.000 0.184 354 Q C -0.331 175.750 176.000 0.136 0.000 1.067 354 Q CA -0.446 55.411 55.803 0.091 0.000 1.115 354 Q CB 1.498 30.404 28.738 0.279 0.000 1.147 354 Q HN 0.718 nan 8.270 nan 0.000 0.599 355 G N 0.224 109.159 108.800 0.226 0.000 1.895 355 G HA2 0.377 4.337 3.960 0.000 0.000 0.302 355 G HA3 0.377 4.337 3.960 0.000 0.000 0.302 355 G C -1.421 173.660 174.900 0.301 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 0.464 116.340 115.700 0.293 0.000 2.593 356 S HA 0.926 5.396 4.470 0.000 0.000 0.297 356 S C -0.938 173.891 174.600 0.381 0.000 1.112 356 S CA -0.581 57.740 58.200 0.203 0.000 1.043 356 S CB 1.211 64.472 63.200 0.102 0.000 1.054 356 S HN 1.189 nan 8.310 nan 0.000 0.516 357 Y N -0.954 119.449 120.300 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 0.510 39.082 38.460 0.186 0.000 1.292 357 Y HN 0.409 nan 8.280 nan 0.000 0.430 358 D N 4.011 124.535 120.400 0.206 0.000 2.312 358 D HA 0.165 4.805 4.640 0.000 0.000 0.252 358 D C 0.892 177.297 176.300 0.174 0.000 1.150 358 D CA -0.250 53.813 54.000 0.105 0.000 0.870 358 D CB 1.438 42.290 40.800 0.087 0.000 1.153 358 D HN 0.745 nan 8.370 nan 0.000 0.457 359 L N 3.542 124.840 121.223 0.126 0.000 2.079 359 L HA -0.212 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 1.555 56.496 54.840 0.168 0.000 0.752 359 L CB -0.839 41.289 42.059 0.116 0.000 0.896 359 L HN 0.689 nan 8.230 nan 0.000 0.433 360 Q N -1.296 118.588 119.800 0.140 0.000 2.224 360 Q HA -0.183 4.158 4.340 0.000 0.000 0.203 360 Q C 1.101 177.182 176.000 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 0.936 121.412 120.400 0.128 0.000 2.240 361 D HA -0.026 4.615 4.640 0.000 0.000 0.206 361 D C 1.921 178.280 176.300 0.099 0.000 0.963 361 D CA 0.289 54.357 54.000 0.113 0.000 0.863 361 D CB 0.046 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 0.393 121.697 121.223 0.135 0.000 2.093 362 L HA 0.062 4.402 4.340 0.000 0.000 0.208 362 L C 0.326 177.226 176.870 0.051 0.000 1.085 362 L CA 1.009 55.912 54.840 0.104 0.000 0.755 362 L CB -0.238 41.942 42.059 0.200 0.000 0.904 362 L HN -0.052 nan 8.230 nan 0.000 0.435 363 L N 0.132 121.399 121.223 0.074 0.000 2.317 363 L HA 0.636 4.976 4.340 0.000 0.000 0.281 363 L C -0.439 176.446 176.870 0.025 0.000 1.024 363 L CA -0.299 54.565 54.840 0.041 0.000 0.810 363 L CB 1.625 43.721 42.059 0.062 0.000 1.240 363 L HN 0.134 nan 8.230 nan 0.000 0.427 364 A N 2.081 124.896 122.820 -0.008 0.000 2.567 364 A HA 0.455 4.775 4.320 0.000 0.000 0.291 364 A C -0.126 177.441 177.584 -0.029 0.000 1.048 364 A CA 0.134 52.162 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 -1.404 118.381 119.800 -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 3.264 59.053 55.803 -0.023 0.000 0.188 365 Q CB -1.804 26.919 28.738 -0.025 0.000 0.219 365 Q HN 2.164 nan 8.270 nan 0.000 0.363 366 A N -0.182 122.621 122.820 -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 -0.263 18.720 19.000 -0.028 0.000 0.819 366 A HN 0.576 nan 8.150 nan 0.000 0.442 367 E N -0.596 119.591 120.200 -0.022 0.000 2.434 367 E HA 0.122 4.472 4.350 0.000 0.000 0.207 367 E C 0.507 177.082 176.600 -0.041 0.000 0.929 367 E CA 0.296 56.681 56.400 -0.025 0.000 1.001 367 E CB 0.205 29.894 29.700 -0.018 0.000 1.016 367 E HN 0.537 nan 8.360 nan 0.000 0.502 368 L N -0.284 120.916 121.223 -0.038 0.000 3.965 368 L HA -0.163 4.178 4.340 0.000 0.000 0.476 368 L C -1.653 175.163 176.870 -0.091 0.000 1.201 368 L CA 0.600 55.413 54.840 -0.046 0.000 0.710 368 L CB -1.775 40.263 42.059 -0.035 0.000 1.509 368 L HN 0.133 nan 8.230 nan 0.000 0.815 369 P HA -0.048 nan 4.420 nan 0.000 0.224 369 P C 1.783 178.842 177.300 -0.401 0.000 1.157 369 P CA 1.817 64.707 63.100 -0.351 0.000 0.799 369 P CB 0.331 31.826 31.700 -0.341 0.000 0.809 370 A N 0.847 123.631 122.820 -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 -1.176 119.372 120.570 -0.036 0.000 2.202 371 I HA -0.196 3.974 4.170 0.000 0.000 0.242 371 I C 2.371 178.452 176.117 -0.060 0.000 1.091 371 I CA 1.238 62.518 61.300 -0.035 0.000 1.368 371 I CB -0.316 37.662 38.000 -0.037 0.000 1.058 371 I HN 0.411 nan 8.210 nan 0.000 0.410 372 L N 0.330 121.472 121.223 -0.135 0.000 2.191 372 L HA -0.210 4.131 4.340 0.000 0.000 0.212 372 L C 2.498 179.291 176.870 -0.127 0.000 1.103 372 L CA 1.968 56.716 54.840 -0.154 0.000 0.769 372 L CB -0.921 41.010 42.059 -0.215 0.000 0.908 372 L HN 0.241 nan 8.230 nan 0.000 0.438 373 H N -0.711 118.350 119.070 -0.016 0.000 2.333 373 H HA 0.006 4.562 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 1.911 57.945 56.048 -0.025 0.000 1.348 373 H CB -0.857 28.894 29.762 -0.018 0.000 1.393 373 H HN 0.490 nan 8.280 nan 0.000 0.509 374 T N -0.827 113.786 114.554 0.099 0.000 3.215 374 T HA 0.004 4.354 4.350 0.000 0.000 0.254 374 T C 0.767 175.471 174.700 0.006 0.000 1.149 374 T CA -0.041 62.081 62.100 0.037 0.000 1.042 374 T CB 0.043 68.927 68.868 0.027 0.000 0.966 374 T HN 0.026 nan 8.240 nan 0.000 0.534 375 E N 0.913 121.112 120.200 -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 0.841 30.523 29.700 -0.030 0.000 1.008 375 E HN 0.238 nan 8.360 nan 0.000 0.420 376 L N 3.150 124.355 121.223 -0.030 0.000 2.131 376 L HA -0.089 4.252 4.340 0.000 0.000 0.210 376 L C -0.140 176.711 176.870 -0.031 0.000 1.092 376 L CA 1.112 55.932 54.840 -0.032 0.000 0.759 376 L CB -0.119 41.918 42.059 -0.036 0.000 0.903 376 L HN 0.462 nan 8.230 nan 0.000 0.435 377 N N 0.153 118.838 118.700 -0.024 0.000 2.402 377 N HA 0.236 4.976 4.740 0.000 0.000 0.259 377 N C -0.172 175.325 175.510 -0.022 0.000 1.167 377 N CA 0.059 53.100 53.050 -0.015 0.000 0.949 377 N CB 1.148 39.643 38.487 0.013 0.000 1.212 377 N HN 0.127 nan 8.380 nan 0.000 0.493 378 L N 0.771 121.968 121.223 -0.043 0.000 2.692 378 L HA 0.213 4.553 4.340 0.000 0.000 0.175 378 L C 1.496 178.315 176.870 -0.085 0.000 1.112 378 L CA 0.224 55.022 54.840 -0.070 0.000 0.908 378 L CB -0.749 41.254 42.059 -0.094 0.000 1.672 378 L HN 0.444 nan 8.230 nan 0.000 0.500 379 Q N 0.043 119.792 119.800 -0.085 0.000 1.863 379 Q HA -0.452 3.888 4.340 0.000 0.000 0.194 379 Q C 1.716 177.658 176.000 -0.097 0.000 2.887 379 Q CA 2.491 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 0.788 121.141 120.400 -0.079 0.000 2.293 380 K HA -0.115 4.205 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 1.564 57.823 56.287 -0.047 0.000 0.933 380 K CB -0.122 32.376 32.500 -0.004 0.000 0.736 380 K HN 0.387 nan 8.250 nan 0.000 0.463 381 L N 0.387 121.428 121.223 -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 0.211 54.667 54.840 -0.639 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 -0.090 115.458 115.700 -0.255 0.000 2.422 382 S HA 0.062 4.532 4.470 0.000 0.000 0.283 382 S C 0.422 174.953 174.600 -0.115 0.000 1.163 382 S CA -0.529 57.568 58.200 -0.172 0.000 1.054 382 S CB 0.905 64.022 63.200 -0.138 0.000 0.967 382 S HN 0.360 nan 8.310 nan 0.000 0.499 383 N N 3.440 122.083 118.700 -0.095 0.000 2.148 383 N HA -0.031 4.710 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 1.245 54.258 53.050 -0.062 0.000 0.848 383 N CB -0.006 38.456 38.487 -0.042 0.000 1.005 383 N HN 0.718 nan 8.380 nan 0.000 0.427 384 D N -0.217 120.158 120.400 -0.041 0.000 2.507 384 D HA 0.163 4.803 4.640 0.000 0.000 0.280 384 D C -0.041 176.232 176.300 -0.046 0.000 1.219 384 D CA -0.345 53.636 54.000 -0.031 0.000 1.085 384 D CB 0.415 41.214 40.800 -0.002 0.000 1.134 384 D HN 0.066 nan 8.370 nan 0.000 0.583 385 R N 0.383 120.860 120.500 -0.040 0.000 2.370 385 R HA 0.320 4.660 4.340 0.000 0.000 0.309 385 R C -0.136 176.127 176.300 -0.062 0.000 1.059 385 R CA 0.053 56.126 56.100 -0.046 0.000 0.981 385 R CB 0.381 30.659 30.300 -0.036 0.000 0.972 385 R HN 0.282 nan 8.270 nan 0.000 0.437 386 I N 3.832 124.360 120.570 -0.070 0.000 2.336 386 I HA 0.277 4.447 4.170 0.000 0.000 0.292 386 I C 0.173 176.246 176.117 -0.073 0.000 0.991 386 I CA -0.559 60.691 61.300 -0.085 0.000 1.227 386 I CB 1.130 39.073 38.000 -0.095 0.000 1.366 386 I HN 0.460 nan 8.210 nan 0.000 0.466 387 R N 5.563 126.009 120.500 -0.090 0.000 2.545 387 R HA 0.279 4.620 4.340 0.000 0.000 0.289 387 R C -0.974 175.265 176.300 -0.103 0.000 1.327 387 R CA -0.557 55.498 56.100 -0.075 0.000 1.040 387 R CB 2.200 32.462 30.300 -0.063 0.000 1.176 387 R HN 0.400 nan 8.270 nan 0.000 0.518 388 V N 2.918 122.785 119.914 -0.079 0.000 2.585 388 V HA 0.167 4.287 4.120 0.000 0.000 0.296 388 V C 1.044 177.092 176.094 -0.076 0.000 1.035 388 V CA 0.971 63.216 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 5.569 114.312 108.800 -0.096 0.000 2.437 389 G HA2 0.152 4.112 3.960 0.000 0.000 0.212 389 G HA3 0.152 4.112 3.960 0.000 0.000 0.212 389 G C 0.305 175.209 174.900 0.007 0.000 1.174 389 G CA 0.707 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 -2.006 118.204 120.200 0.017 0.000 2.375 390 E HA 0.472 4.822 4.350 0.000 0.000 0.280 390 E C -1.843 174.777 176.600 0.034 0.000 0.972 390 E CA -1.001 55.413 56.400 0.023 0.000 0.782 390 E CB 2.121 31.845 29.700 0.040 0.000 1.229 390 E HN 0.065 nan 8.360 nan 0.000 0.439 391 V N 4.356 124.269 119.914 -0.002 0.000 2.266 391 V HA 0.388 4.508 4.120 0.000 0.000 0.266 391 V C -1.084 175.024 176.094 0.024 0.000 1.036 391 V CA -0.471 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 0.618 4.958 4.340 0.000 0.000 0.277 392 L C -0.174 176.573 176.870 -0.206 0.000 1.075 392 L CA -0.248 54.526 54.840 -0.110 0.000 0.804 392 L CB 1.391 43.375 42.059 -0.125 0.000 1.174 392 L HN 0.556 nan 8.230 nan 0.000 0.438 393 N N 1.739 120.183 118.700 -0.427 0.000 2.446 393 N HA 0.318 5.058 4.740 0.000 0.000 0.265 393 N C -1.262 173.929 175.510 -0.533 0.000 0.975 393 N CA -0.291 52.449 53.050 -0.516 0.000 0.928 393 N CB 1.724 39.762 38.487 -0.748 0.000 1.160 393 N HN 0.509 nan 8.380 nan 0.000 0.495 394 S N 1.682 117.207 115.700 -0.291 0.000 2.478 394 S HA 0.742 5.212 4.470 0.000 0.000 0.312 394 S C -0.242 174.455 174.600 0.161 0.000 1.094 394 S CA -0.862 57.291 58.200 -0.079 0.000 1.081 394 S CB 0.297 63.406 63.200 -0.151 0.000 1.007 394 S HN 0.436 nan 8.310 nan 0.000 0.475 395 I N 0.017 120.761 120.570 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 -1.193 60.345 61.300 0.396 0.000 1.114 395 I CB 1.360 39.694 38.000 0.557 0.000 1.293 395 I HN 0.648 nan 8.210 nan 0.000 0.449 396 F N 5.924 125.944 119.950 0.118 0.000 2.686 396 F HA 0.504 5.031 4.527 0.000 0.000 0.365 396 F C -1.230 174.506 175.800 -0.108 0.000 1.196 396 F CA -0.778 57.238 58.000 0.027 0.000 1.198 396 F CB 0.620 39.602 39.000 -0.029 0.000 1.454 396 F HN 0.495 nan 8.300 nan 0.000 0.539 397 F N 4.112 123.850 119.950 -0.352 0.000 2.438 397 F HA 0.378 4.905 4.527 0.000 0.000 0.356 397 F C -0.037 175.533 175.800 -0.383 0.000 1.099 397 F CA 0.180 57.952 58.000 -0.380 0.000 1.185 397 F CB 0.574 39.345 39.000 -0.383 0.000 1.115 397 F HN 0.425 nan 8.300 nan 0.000 0.526 398 E N 6.574 126.443 120.200 -0.551 0.000 2.263 398 E HA 0.453 4.803 4.350 0.000 0.000 0.268 398 E C -1.822 174.572 176.600 -0.344 0.000 0.884 398 E CA -0.683 55.510 56.400 -0.346 0.000 0.766 398 E CB 1.384 30.942 29.700 -0.237 0.000 1.196 398 E HN 0.652 nan 8.360 nan 0.000 0.416 399 L N 3.308 124.427 121.223 -0.175 0.000 2.346 399 L HA 0.589 4.930 4.340 0.000 0.000 0.276 399 L C -0.186 176.623 176.870 -0.102 0.000 1.006 399 L CA -0.579 54.186 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 0.601 nan 8.230 nan 0.000 0.421 400 E N 1.062 121.204 120.200 -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 0.544 123.378 122.820 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 1.113 20.202 19.000 0.148 0.000 1.299 401 A HN 0.590 nan 8.150 nan 0.000 0.407 402 D N 1.333 121.800 120.400 0.110 0.000 2.720 402 D HA 0.279 4.919 4.640 0.000 0.000 0.285 402 D C -0.249 176.098 176.300 0.079 0.000 1.359 402 D CA 0.124 54.172 54.000 0.080 0.000 0.818 402 D CB 0.153 40.998 40.800 0.075 0.000 1.108 402 D HN 0.709 nan 8.370 nan 0.000 0.474 417 E N 1.700 121.895 120.200 -0.008 0.000 2.375 417 E HA 0.549 4.899 4.350 0.000 0.000 0.280 417 E C -0.863 175.740 176.600 0.004 0.000 0.972 417 E CA -0.716 55.683 56.400 -0.002 0.000 0.782 417 E CB 2.599 32.301 29.700 0.004 0.000 1.229 417 E HN 0.143 nan 8.360 nan 0.000 0.439 418 V N -0.821 119.098 119.914 0.008 0.000 3.182 418 V HA 0.687 4.807 4.120 0.000 0.000 0.308 418 V C -1.113 175.004 176.094 0.039 0.000 1.240 418 V CA -1.175 61.140 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 1.265 122.527 121.223 0.066 0.000 2.342 419 L HA 0.593 4.933 4.340 0.000 0.000 0.276 419 L C 0.031 176.943 176.870 0.070 0.000 0.997 419 L CA -0.300 54.579 54.840 0.065 0.000 0.838 419 L CB 1.452 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 4.331 124.559 120.200 0.046 0.000 1.802 420 E HA 0.051 4.401 4.350 0.000 0.000 0.265 420 E C -0.705 175.919 176.600 0.040 0.000 1.168 420 E CA -0.249 56.198 56.400 0.077 0.000 1.033 420 E CB 0.810 30.517 29.700 0.011 0.000 1.095 420 E HN 0.450 nan 8.360 nan 0.000 0.436 421 V N 5.320 125.247 119.914 0.021 0.000 2.313 421 V HA 0.175 4.295 4.120 0.000 0.000 0.252 421 V C -0.499 175.551 176.094 -0.073 0.000 1.112 421 V CA 0.074 62.329 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 7.677 122.195 114.554 -0.060 0.000 2.902 422 T HA 0.503 4.853 4.350 0.000 0.000 0.283 422 T C 0.335 174.991 174.700 -0.074 0.000 1.009 422 T CA -0.427 61.644 62.100 -0.049 0.000 1.051 422 T CB 1.596 70.453 68.868 -0.017 0.000 0.999 422 T HN 0.513 nan 8.240 nan 0.000 0.474 423 L N 3.488 124.683 121.223 -0.047 0.000 3.096 423 L HA 0.216 4.556 4.340 0.000 0.000 0.247 423 L C 1.720 178.764 176.870 0.289 0.000 1.321 423 L CA -0.538 54.274 54.840 -0.047 0.000 1.044 423 L CB -0.390 41.370 42.059 -0.498 0.000 1.434 423 L HN 0.634 nan 8.230 nan 0.000 0.533 424 N N 0.869 119.702 118.700 0.222 0.000 2.205 424 N HA -0.185 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 -2.382 174.096 176.300 0.297 0.000 1.016 425 R CA -2.122 54.161 56.100 0.305 0.000 1.040 425 R CB 0.771 31.178 30.300 0.179 0.000 1.152 425 R HN 0.049 nan 8.270 nan 0.000 0.503 426 P HA -0.112 nan 4.420 nan 0.000 0.266 426 P C -1.130 176.303 177.300 0.222 0.000 1.180 426 P CA 0.773 63.962 63.100 0.147 0.000 0.765 426 P CB 0.272 31.984 31.700 0.020 0.000 0.806 427 F N 0.378 120.307 119.950 -0.035 0.000 2.715 427 F HA 0.692 5.219 4.527 0.000 0.000 0.318 427 F C -1.939 173.872 175.800 0.019 0.000 1.141 427 F CA -1.283 56.706 58.000 -0.020 0.000 0.950 427 F CB 0.786 39.769 39.000 -0.029 0.000 1.374 427 F HN -0.060 nan 8.300 nan 0.000 0.477 428 L N 1.796 123.093 121.223 0.122 0.000 2.319 428 L HA 0.699 5.039 4.340 0.000 0.000 0.267 428 L C -0.667 176.393 176.870 0.317 0.000 1.011 428 L CA -0.706 54.195 54.840 0.101 0.000 0.818 428 L CB 1.718 43.858 42.059 0.135 0.000 1.316 428 L HN 0.948 nan 8.230 nan 0.000 0.432 429 F N -0.581 119.355 119.950 -0.023 0.000 2.741 429 F HA 0.878 5.405 4.527 0.000 0.000 0.313 429 F C -1.314 174.463 175.800 -0.038 0.000 1.153 429 F CA -1.345 56.661 58.000 0.010 0.000 0.931 429 F CB 1.798 40.811 39.000 0.021 0.000 1.335 429 F HN 0.536 nan 8.300 nan 0.000 0.460 430 A N 1.647 124.384 122.820 -0.138 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 0.829 120.850 119.914 0.178 0.000 2.530 431 V HA 0.753 4.873 4.120 0.000 0.000 0.282 431 V C -0.416 175.879 176.094 0.335 0.000 1.048 431 V CA -0.287 62.196 62.300 0.305 0.000 0.997 431 V CB 0.679 32.666 31.823 0.273 0.000 0.987 431 V HN 1.272 nan 8.190 nan 0.000 0.477 432 Y N 2.961 123.384 120.300 0.205 0.000 2.477 432 Y HA 0.661 5.212 4.550 0.000 0.000 0.347 432 Y C -0.918 175.106 175.900 0.207 0.000 0.981 432 Y CA -1.160 57.049 58.100 0.182 0.000 1.033 432 Y CB 2.063 40.596 38.460 0.121 0.000 1.245 432 Y HN 0.869 nan 8.280 nan 0.000 0.455 433 D N 3.997 124.059 120.400 -0.564 0.000 2.256 433 D HA 0.232 4.872 4.640 0.000 0.000 0.240 433 D C 0.111 175.901 176.300 -0.849 0.000 1.062 433 D CA -0.085 53.653 54.000 -0.436 0.000 0.832 433 D CB 1.912 42.671 40.800 -0.067 0.000 1.135 433 D HN 0.853 nan 8.370 nan 0.000 0.484 434 Q N 1.387 120.946 119.800 -0.403 0.000 2.137 434 Q HA -0.081 4.259 4.340 0.000 0.000 0.198 434 Q C 1.868 177.811 176.000 -0.094 0.000 0.960 434 Q CA 1.172 56.873 55.803 -0.170 0.000 0.847 434 Q CB 0.121 28.883 28.738 0.040 0.000 0.915 434 Q HN 0.593 nan 8.270 nan 0.000 0.448 435 S N 0.536 116.195 115.700 -0.069 0.000 2.402 435 S HA -0.013 4.457 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 0.855 59.041 58.200 -0.024 0.000 0.974 435 S CB 0.005 63.205 63.200 -0.000 0.000 0.800 435 S HN 0.314 nan 8.310 nan 0.000 0.484 436 A N 1.486 124.273 122.820 -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 0.371 52.379 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 -2.753 111.731 114.554 -0.117 0.000 3.538 437 T HA -0.079 4.271 4.350 0.000 0.000 0.385 437 T C 0.165 174.861 174.700 -0.006 0.000 0.766 437 T CA 0.965 63.048 62.100 -0.029 0.000 1.906 437 T CB -2.506 66.397 68.868 0.060 0.000 1.760 437 T HN 1.926 nan 8.240 nan 0.000 0.678 438 A N 0.997 123.710 122.820 -0.180 0.000 2.398 438 A HA 0.704 5.024 4.320 0.000 0.000 0.301 438 A C -0.231 177.336 177.584 -0.028 0.000 1.041 438 A CA -1.338 50.624 52.037 -0.125 0.000 0.711 438 A CB 1.085 19.922 19.000 -0.273 0.000 1.240 438 A HN 1.037 nan 8.150 nan 0.000 0.420 439 L N 1.067 122.357 121.223 0.110 0.000 2.268 439 L HA 0.464 4.804 4.340 0.000 0.000 0.289 439 L C 0.792 177.644 176.870 -0.030 0.000 1.064 439 L CA 0.031 54.980 54.840 0.181 0.000 0.824 439 L CB -0.609 41.541 42.059 0.152 0.000 1.202 439 L HN 0.744 nan 8.230 nan 0.000 0.433 440 H N 2.315 121.354 119.070 -0.052 0.000 2.462 440 H HA 0.157 4.713 4.556 0.000 0.000 0.292 440 H C -0.403 174.586 175.328 -0.564 0.000 1.049 440 H CA 1.251 57.158 56.048 -0.236 0.000 1.334 440 H CB 0.266 29.981 29.762 -0.078 0.000 1.404 440 H HN 0.450 nan 8.280 nan 0.000 0.544 441 F N -0.014 119.950 119.950 0.024 0.000 2.601 441 F HA 0.481 5.009 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 -0.250 nan 8.300 nan 0.000 0.450 442 L N 1.716 122.817 121.223 -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 2.324 44.148 42.059 -0.393 0.000 1.317 442 L HN 0.820 nan 8.230 nan 0.000 0.407 443 G N 1.659 110.062 108.800 -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 -2.236 172.617 174.900 -0.079 0.000 1.437 443 G CA -0.679 44.253 45.100 -0.280 0.000 0.798 443 G HN 0.515 nan 8.290 nan 0.000 0.488 444 R N -0.550 119.904 120.500 -0.077 0.000 2.778 444 R HA 0.740 5.080 4.340 0.000 0.000 0.277 444 R C -1.417 174.640 176.300 -0.406 0.000 0.977 444 R CA -0.586 55.326 56.100 -0.313 0.000 0.950 444 R CB 2.210 32.055 30.300 -0.758 0.000 1.165 444 R HN 0.352 nan 8.270 nan 0.000 0.474 445 V N 4.006 123.581 119.914 -0.565 0.000 2.380 445 V HA 0.382 4.502 4.120 0.000 0.000 0.286 445 V C 0.454 176.303 176.094 -0.410 0.000 1.015 445 V CA -0.257 61.704 62.300 -0.565 0.000 0.834 445 V CB 0.917 32.202 31.823 -0.896 0.000 1.009 445 V HN 1.051 nan 8.190 nan 0.000 0.428 446 A N 4.569 127.202 122.820 -0.313 0.000 1.871 446 A HA 0.298 4.618 4.320 0.000 0.000 0.211 446 A C 0.765 178.264 177.584 -0.142 0.000 1.207 446 A CA 1.027 52.942 52.037 -0.204 0.000 0.620 446 A CB 0.083 18.967 19.000 -0.193 0.000 0.860 446 A HN 0.873 nan 8.150 nan 0.000 0.450 447 N N -0.832 117.771 118.700 -0.162 0.000 2.555 447 N HA 0.371 5.111 4.740 0.000 0.000 0.265 447 N C -3.772 171.642 175.510 -0.160 0.000 1.135 447 N CA -1.315 51.645 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 -0.731 176.514 177.300 -0.091 0.000 1.235 448 P CA -0.261 62.751 63.100 -0.146 0.000 0.772 448 P CB 0.692 32.294 31.700 -0.164 0.000 0.871 449 L N 0.000 121.182 121.223 -0.069 0.000 2.949 449 L HA 0.000 4.340 4.340 0.000 0.000 0.249 449 L CA 0.000 54.817 54.840 -0.038 0.000 0.813 449 L CB 0.000 42.039 42.059 -0.034 0.000 0.961 449 L HN 0.000 nan 8.230 nan 0.000 0.502