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 2ay5_1_A DATA FIRST_RESID 5 DATA SEQUENCE MLGNLKPQAP DKILALMGEF RADPRQGKID LGVGVYKDAT GHTPIMRAVH DATA SEQUENCE AAEQRMLETE XTTKTYAGLS GEPEFQKAMG ELILGDGXXX LKSETTATLA DATA SEQUENCE TVGGTGALRQ ALELARMANP DLXXRXXXVF VSDPTWPNHV SIMNFMGLXP DATA SEQUENCE VQTYRYFDAE TRGVDFEGMK ADLAAAKKGD MVLLHGCCHN PTGANLTLDQ DATA SEQUENCE WAEIASILEK TGALPLIDLA YQGFGDGXLE EDAAGTRLIA SRIPEVLIAA DATA SEQUENCE SCSKNFGIYR ERTGCLLALC ADAATRELAQ GAMAFLNRQT YSFPPFHGAK DATA SEQUENCE IVSTVLTTPE LRADWMAELE AVRSGMLRLR EQLAGELRDL SGSDRFGFVA DATA SEQUENCE EHRGMFSRLG ATPEQVKRIK EEFGIYMVGD SRINIAGLND NTIPILARAI DATA SEQUENCE IEVGV 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.305 176.300 0.008 0.000 1.140 5 M CA 0.000 55.304 55.300 0.006 0.000 0.988 5 M CB 0.000 32.604 32.600 0.007 0.000 1.302 6 L N 1.218 122.446 121.223 0.008 0.000 2.651 6 L HA 0.003 4.343 4.340 -0.000 0.000 0.236 6 L C 1.903 178.778 176.870 0.009 0.000 1.173 6 L CA 1.136 55.981 54.840 0.010 0.000 0.843 6 L CB -0.933 41.132 42.059 0.010 0.000 0.964 6 L HN 0.612 nan 8.230 nan 0.000 0.454 7 G N -0.300 108.505 108.800 0.007 0.000 2.623 7 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.214 7 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.214 7 G C 1.253 176.157 174.900 0.007 0.000 1.138 7 G CA -0.052 45.052 45.100 0.007 0.000 0.794 7 G HN 0.353 nan 8.290 nan 0.000 0.535 8 N N 0.151 118.856 118.700 0.008 0.000 2.521 8 N HA 0.052 4.792 4.740 -0.000 0.000 0.188 8 N C 0.394 175.910 175.510 0.010 0.000 1.146 8 N CA -0.122 52.933 53.050 0.008 0.000 0.893 8 N CB 0.261 38.752 38.487 0.007 0.000 0.975 8 N HN 0.174 nan 8.380 nan 0.000 0.451 9 L N 1.825 123.055 121.223 0.012 0.000 2.453 9 L HA 0.021 4.361 4.340 -0.000 0.000 0.272 9 L C 0.378 177.256 176.870 0.014 0.000 1.182 9 L CA 0.349 55.199 54.840 0.015 0.000 0.858 9 L CB 0.403 42.472 42.059 0.016 0.000 1.120 9 L HN -0.179 nan 8.230 nan 0.000 0.474 10 K N 5.782 126.192 120.400 0.017 0.000 2.205 10 K HA 0.382 4.701 4.320 -0.000 0.000 0.279 10 K C -2.212 174.397 176.600 0.015 0.000 1.027 10 K CA -1.820 54.476 56.287 0.015 0.000 0.932 10 K CB 0.452 32.963 32.500 0.017 0.000 1.032 10 K HN 0.427 nan 8.250 nan 0.000 0.466 11 P HA 0.032 nan 4.420 nan 0.000 0.266 11 P C -0.583 176.721 177.300 0.007 0.000 1.215 11 P CA -0.090 63.014 63.100 0.007 0.000 0.763 11 P CB 0.655 32.358 31.700 0.005 0.000 0.806 12 Q N 1.616 121.419 119.800 0.004 0.000 2.235 12 Q HA 0.495 4.835 4.340 -0.000 0.000 0.250 12 Q C 0.206 176.201 176.000 -0.008 0.000 0.909 12 Q CA -0.608 55.196 55.803 0.000 0.000 0.910 12 Q CB 1.997 30.733 28.738 -0.003 0.000 1.223 12 Q HN 0.556 nan 8.270 nan 0.000 0.432 13 A N 3.905 126.717 122.820 -0.012 0.000 2.445 13 A HA 0.428 4.748 4.320 -0.000 0.000 0.242 13 A C -1.736 175.834 177.584 -0.024 0.000 1.075 13 A CA -0.756 51.271 52.037 -0.017 0.000 0.777 13 A CB -0.669 18.319 19.000 -0.020 0.000 1.013 13 A HN 0.481 nan 8.150 nan 0.000 0.493 14 P HA 0.111 nan 4.420 nan 0.000 0.271 14 P C 0.295 177.576 177.300 -0.030 0.000 1.244 14 P CA -0.142 62.946 63.100 -0.020 0.000 0.793 14 P CB 0.428 32.121 31.700 -0.012 0.000 0.984 15 D N 0.065 120.447 120.400 -0.030 0.000 2.351 15 D HA -0.185 4.455 4.640 -0.000 0.000 0.216 15 D C 1.370 177.647 176.300 -0.038 0.000 0.968 15 D CA 1.103 55.079 54.000 -0.039 0.000 0.899 15 D CB -0.057 40.726 40.800 -0.030 0.000 0.907 15 D HN 0.352 nan 8.370 nan 0.000 0.514 16 K N -1.026 119.358 120.400 -0.026 0.000 8.070 16 K HA -0.299 4.021 4.320 -0.000 0.000 0.487 16 K C 1.527 178.122 176.600 -0.008 0.000 0.363 16 K CA 2.000 58.275 56.287 -0.020 0.000 1.957 16 K CB -1.930 30.549 32.500 -0.035 0.000 0.676 16 K HN 0.271 nan 8.250 nan 0.000 0.908 17 I N 2.079 122.641 120.570 -0.013 0.000 2.185 17 I HA -0.307 3.862 4.170 -0.000 0.000 0.246 17 I C 2.261 178.381 176.117 0.007 0.000 1.088 17 I CA 1.881 63.179 61.300 -0.002 0.000 1.347 17 I CB -0.675 37.325 38.000 0.000 0.000 1.041 17 I HN 0.448 nan 8.210 nan 0.000 0.415 18 L N 0.640 121.866 121.223 0.005 0.000 2.083 18 L HA -0.087 4.253 4.340 -0.000 0.000 0.209 18 L C 2.603 179.485 176.870 0.020 0.000 1.083 18 L CA 2.335 57.182 54.840 0.011 0.000 0.752 18 L CB -2.311 39.752 42.059 0.006 0.000 0.899 18 L HN 0.182 nan 8.230 nan 0.000 0.433 19 A N 0.848 123.680 122.820 0.019 0.000 1.930 19 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 19 A C 2.446 180.059 177.584 0.048 0.000 1.175 19 A CA 1.542 53.596 52.037 0.029 0.000 0.627 19 A CB -0.681 18.332 19.000 0.022 0.000 0.815 19 A HN 0.509 nan 8.150 nan 0.000 0.443 20 L N -1.701 119.549 121.223 0.046 0.000 2.012 20 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 20 L C 2.733 179.654 176.870 0.083 0.000 1.073 20 L CA 1.861 56.743 54.840 0.070 0.000 0.748 20 L CB -0.518 41.568 42.059 0.045 0.000 0.891 20 L HN 0.456 nan 8.230 nan 0.000 0.431 21 M N 0.589 120.221 119.600 0.054 0.000 2.296 21 M HA -0.021 4.459 4.480 -0.000 0.000 0.265 21 M C 1.946 178.306 176.300 0.100 0.000 1.064 21 M CA 1.601 56.943 55.300 0.071 0.000 1.109 21 M CB -0.924 31.700 32.600 0.039 0.000 1.396 21 M HN 0.116 nan 8.290 nan 0.000 0.430 22 G N -0.424 108.417 108.800 0.068 0.000 2.421 22 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 22 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 22 G C 1.459 176.391 174.900 0.054 0.000 1.171 22 G CA 0.995 46.126 45.100 0.051 0.000 0.775 22 G HN 0.627 nan 8.290 nan 0.000 0.543 23 E N -0.602 119.652 120.200 0.090 0.000 2.077 23 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 23 E C 2.082 178.723 176.600 0.068 0.000 0.989 23 E CA 0.661 57.131 56.400 0.117 0.000 0.800 23 E CB -0.267 29.555 29.700 0.204 0.000 0.746 23 E HN 0.351 nan 8.360 nan 0.000 0.452 24 F N 1.923 121.768 119.950 -0.175 0.000 2.069 24 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 24 F C 2.273 177.900 175.800 -0.288 0.000 1.113 24 F CA 1.913 59.613 58.000 -0.500 0.000 1.214 24 F CB -0.240 38.482 39.000 -0.464 0.000 0.978 24 F HN -0.095 nan 8.300 nan 0.000 0.474 25 R N 0.147 120.525 120.500 -0.203 0.000 2.105 25 R HA -0.139 4.201 4.340 -0.000 0.000 0.239 25 R C 2.387 178.562 176.300 -0.209 0.000 1.135 25 R CA 1.212 57.171 56.100 -0.236 0.000 0.967 25 R CB -0.914 29.348 30.300 -0.064 0.000 0.861 25 R HN 0.415 nan 8.270 nan 0.000 0.442 26 A N 1.344 124.086 122.820 -0.130 0.000 1.969 26 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 26 A C 0.706 178.230 177.584 -0.100 0.000 1.169 26 A CA 0.604 52.592 52.037 -0.082 0.000 0.635 26 A CB -0.353 18.632 19.000 -0.025 0.000 0.810 26 A HN 0.196 nan 8.150 nan 0.000 0.445 27 D N 0.494 120.807 120.400 -0.145 0.000 2.502 27 D HA 0.054 4.694 4.640 -0.000 0.000 0.249 27 D C -1.346 174.871 176.300 -0.138 0.000 1.188 27 D CA -1.266 52.669 54.000 -0.109 0.000 0.890 27 D CB 0.849 41.575 40.800 -0.123 0.000 1.140 27 D HN 0.216 nan 8.370 nan 0.000 0.505 28 P HA -0.024 nan 4.420 nan 0.000 0.245 28 P C -0.091 177.173 177.300 -0.060 0.000 1.212 28 P CA 0.061 63.120 63.100 -0.068 0.000 0.774 28 P CB 0.313 31.988 31.700 -0.041 0.000 0.999 29 R N 0.764 121.232 120.500 -0.053 0.000 2.401 29 R HA 0.104 4.444 4.340 -0.000 0.000 0.299 29 R C 1.626 177.901 176.300 -0.043 0.000 1.064 29 R CA 0.120 56.203 56.100 -0.027 0.000 1.000 29 R CB 0.412 30.723 30.300 0.018 0.000 0.973 29 R HN 0.210 nan 8.270 nan 0.000 0.438 30 Q N 1.428 121.214 119.800 -0.024 0.000 2.020 30 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 30 Q C 1.197 177.194 176.000 -0.005 0.000 0.982 30 Q CA 1.570 57.360 55.803 -0.021 0.000 0.838 30 Q CB 0.007 28.738 28.738 -0.010 0.000 0.899 30 Q HN 0.768 nan 8.270 nan 0.000 0.423 31 G N 1.908 110.720 108.800 0.021 0.000 4.198 31 G HA2 0.196 4.156 3.960 -0.000 0.000 0.282 31 G HA3 0.196 4.156 3.960 -0.000 0.000 0.282 31 G C -0.553 174.401 174.900 0.089 0.000 1.262 31 G CA -0.559 44.569 45.100 0.048 0.000 1.473 31 G HN 0.144 nan 8.290 nan 0.000 0.624 32 K N 0.012 120.465 120.400 0.088 0.000 2.098 32 K HA 0.708 5.028 4.320 -0.000 0.000 0.257 32 K C -0.701 176.064 176.600 0.276 0.000 0.999 32 K CA -0.599 55.802 56.287 0.191 0.000 0.924 32 K CB 1.759 34.312 32.500 0.089 0.000 1.028 32 K HN 0.071 nan 8.250 nan 0.000 0.466 33 I N 0.568 121.366 120.570 0.380 0.000 2.730 33 I HA 0.191 4.361 4.170 -0.000 0.000 0.298 33 I C -1.364 174.890 176.117 0.229 0.000 1.089 33 I CA -0.978 60.485 61.300 0.271 0.000 1.041 33 I CB 2.307 40.403 38.000 0.160 0.000 1.235 33 I HN 0.725 nan 8.210 nan 0.000 0.423 34 D N 5.142 125.504 120.400 -0.063 0.000 2.440 34 D HA 0.333 4.973 4.640 -0.000 0.000 0.252 34 D C -0.207 175.994 176.300 -0.165 0.000 1.180 34 D CA -0.300 53.490 54.000 -0.351 0.000 0.894 34 D CB 1.158 41.326 40.800 -1.054 0.000 1.111 34 D HN 0.217 nan 8.370 nan 0.000 0.544 35 L N 3.107 124.301 121.223 -0.048 0.000 2.667 35 L HA 0.371 4.711 4.340 -0.000 0.000 0.232 35 L C 2.003 178.894 176.870 0.034 0.000 1.138 35 L CA 0.276 55.118 54.840 0.002 0.000 0.921 35 L CB -0.062 42.022 42.059 0.040 0.000 1.180 35 L HN 0.555 nan 8.230 nan 0.000 0.487 36 G N 0.332 109.124 108.800 -0.014 0.000 2.623 36 G HA2 0.024 3.984 3.960 -0.000 0.000 0.214 36 G HA3 0.024 3.984 3.960 -0.000 0.000 0.214 36 G C 0.823 175.741 174.900 0.030 0.000 1.138 36 G CA 0.313 45.420 45.100 0.012 0.000 0.794 36 G HN 0.226 nan 8.290 nan 0.000 0.535 37 V N -0.962 118.946 119.914 -0.010 0.000 2.843 37 V HA 0.443 4.563 4.120 -0.000 0.000 0.305 37 V C 1.313 177.516 176.094 0.181 0.000 1.120 37 V CA 0.396 62.707 62.300 0.019 0.000 1.254 37 V CB 0.896 32.691 31.823 -0.047 0.000 0.901 37 V HN 0.089 nan 8.190 nan 0.000 0.503 38 G N 2.773 111.694 108.800 0.201 0.000 3.277 38 G HA2 0.459 4.419 3.960 -0.000 0.000 0.243 38 G HA3 0.459 4.419 3.960 -0.000 0.000 0.243 38 G C 0.208 175.318 174.900 0.350 0.000 1.107 38 G CA 0.525 45.888 45.100 0.439 0.000 0.771 38 G HN 1.354 nan 8.290 nan 0.000 0.544 39 V N -3.181 116.812 119.914 0.132 0.000 3.019 39 V HA 0.718 4.838 4.120 -0.000 0.000 0.317 39 V C -0.396 175.749 176.094 0.085 0.000 1.094 39 V CA -2.081 60.257 62.300 0.062 0.000 1.000 39 V CB 1.528 33.195 31.823 -0.259 0.000 1.060 39 V HN 0.115 nan 8.190 nan 0.000 0.443 40 Y N 1.940 122.312 120.300 0.120 0.000 2.359 40 Y HA 0.530 5.080 4.550 -0.000 0.000 0.330 40 Y C 0.198 176.149 175.900 0.085 0.000 1.143 40 Y CA 0.015 58.191 58.100 0.127 0.000 1.318 40 Y CB 0.634 39.262 38.460 0.280 0.000 1.234 40 Y HN 0.718 nan 8.280 nan 0.000 0.522 41 K N 5.889 125.763 120.400 -0.877 0.000 2.443 41 K HA 0.201 4.521 4.320 -0.000 0.000 0.252 41 K C -1.033 175.035 176.600 -0.886 0.000 0.933 41 K CA -0.979 54.935 56.287 -0.623 0.000 0.792 41 K CB 1.745 34.054 32.500 -0.319 0.000 1.185 41 K HN 0.783 nan 8.250 nan 0.000 0.425 42 D N 1.197 121.325 120.400 -0.455 0.000 2.440 42 D HA 0.115 4.754 4.640 -0.000 0.000 0.269 42 D C 1.040 177.280 176.300 -0.100 0.000 1.249 42 D CA -0.407 53.486 54.000 -0.177 0.000 1.055 42 D CB 0.235 41.100 40.800 0.109 0.000 1.104 42 D HN 0.398 nan 8.370 nan 0.000 0.561 43 A N -0.869 121.948 122.820 -0.005 0.000 2.032 43 A HA -0.130 4.190 4.320 -0.000 0.000 0.221 43 A C 1.884 179.454 177.584 -0.024 0.000 1.165 43 A CA 2.521 54.553 52.037 -0.007 0.000 0.645 43 A CB -1.260 17.754 19.000 0.024 0.000 0.807 43 A HN 0.733 nan 8.150 nan 0.000 0.453 44 T N -4.785 109.762 114.554 -0.012 0.000 3.122 44 T HA 0.431 4.781 4.350 -0.000 0.000 0.250 44 T C 1.198 175.739 174.700 -0.265 0.000 1.067 44 T CA 0.935 63.005 62.100 -0.051 0.000 0.966 44 T CB 0.055 68.993 68.868 0.117 0.000 1.002 44 T HN 1.696 nan 8.240 nan 0.000 0.542 45 G N 1.004 109.668 108.800 -0.226 0.000 2.147 45 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.244 45 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.244 45 G C -0.209 174.487 174.900 -0.339 0.000 1.005 45 G CA 0.150 45.081 45.100 -0.282 0.000 0.713 45 G HN 0.777 nan 8.290 nan 0.000 0.515 46 H N -0.910 118.128 119.070 -0.054 0.000 2.651 46 H HA 0.676 5.232 4.556 -0.000 0.000 0.353 46 H C -0.050 175.270 175.328 -0.013 0.000 1.178 46 H CA -0.182 55.853 56.048 -0.021 0.000 1.224 46 H CB 1.611 31.382 29.762 0.015 0.000 1.702 46 H HN 0.065 nan 8.280 nan 0.000 0.550 47 T N 4.218 118.884 114.554 0.187 0.000 3.336 47 T HA 0.179 4.529 4.350 -0.000 0.000 0.384 47 T C -2.233 172.612 174.700 0.241 0.000 1.704 47 T CA -1.275 60.945 62.100 0.200 0.000 1.334 47 T CB -0.089 68.841 68.868 0.104 0.000 1.131 47 T HN 0.437 nan 8.240 nan 0.000 0.684 48 P HA 0.201 nan 4.420 nan 0.000 0.268 48 P C -0.357 177.072 177.300 0.216 0.000 1.208 48 P CA -0.321 62.899 63.100 0.201 0.000 0.777 48 P CB 1.061 32.877 31.700 0.193 0.000 0.875 49 I N 2.796 123.471 120.570 0.174 0.000 2.352 49 I HA 0.136 4.306 4.170 -0.000 0.000 0.290 49 I C 1.323 177.545 176.117 0.174 0.000 1.036 49 I CA -0.559 60.855 61.300 0.190 0.000 1.336 49 I CB 0.340 38.457 38.000 0.195 0.000 1.407 49 I HN 0.222 nan 8.210 nan 0.000 0.497 50 M N 5.861 125.572 119.600 0.184 0.000 2.248 50 M HA 0.022 4.502 4.480 -0.000 0.000 0.343 50 M C 1.444 177.842 176.300 0.163 0.000 1.243 50 M CA 0.495 55.895 55.300 0.167 0.000 1.025 50 M CB 0.276 33.001 32.600 0.208 0.000 1.759 50 M HN 0.560 nan 8.290 nan 0.000 0.452 51 R N 2.024 122.598 120.500 0.123 0.000 2.103 51 R HA -0.196 4.144 4.340 -0.000 0.000 0.242 51 R C 2.170 178.556 176.300 0.143 0.000 1.142 51 R CA 1.871 58.035 56.100 0.106 0.000 0.960 51 R CB -0.632 29.705 30.300 0.062 0.000 0.858 51 R HN 0.884 nan 8.270 nan 0.000 0.439 52 A N 0.767 123.681 122.820 0.156 0.000 1.902 52 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 52 A C 2.413 180.076 177.584 0.131 0.000 1.181 52 A CA 1.457 53.586 52.037 0.154 0.000 0.623 52 A CB -0.511 18.619 19.000 0.216 0.000 0.818 52 A HN 0.124 nan 8.150 nan 0.000 0.443 53 V N -0.230 119.774 119.914 0.151 0.000 2.295 53 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 53 V C 2.563 178.720 176.094 0.105 0.000 1.049 53 V CA 2.169 64.535 62.300 0.111 0.000 1.024 53 V CB -1.040 30.869 31.823 0.143 0.000 0.648 53 V HN 0.786 nan 8.190 nan 0.000 0.447 54 H N 0.434 119.542 119.070 0.063 0.000 2.456 54 H HA -0.074 4.482 4.556 -0.000 0.000 0.296 54 H C 2.176 177.528 175.328 0.040 0.000 1.079 54 H CA 1.697 57.778 56.048 0.054 0.000 1.322 54 H CB 0.150 29.946 29.762 0.055 0.000 1.388 54 H HN 0.408 nan 8.280 nan 0.000 0.538 55 A N 0.578 123.513 122.820 0.191 0.000 1.930 55 A HA 0.089 4.409 4.320 -0.000 0.000 0.215 55 A C 2.689 180.297 177.584 0.040 0.000 1.176 55 A CA 1.161 53.274 52.037 0.127 0.000 0.632 55 A CB -0.729 18.336 19.000 0.108 0.000 0.819 55 A HN 0.491 nan 8.150 nan 0.000 0.445 56 A N 0.129 122.955 122.820 0.011 0.000 1.873 56 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 56 A C 1.890 179.429 177.584 -0.075 0.000 1.186 56 A CA 1.534 53.545 52.037 -0.044 0.000 0.616 56 A CB -0.544 18.408 19.000 -0.080 0.000 0.823 56 A HN 0.592 nan 8.150 nan 0.000 0.442 57 E N -0.728 119.420 120.200 -0.087 0.000 2.153 57 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 57 E C 2.218 178.781 176.600 -0.062 0.000 0.988 57 E CA 1.303 57.656 56.400 -0.079 0.000 0.811 57 E CB -0.136 29.524 29.700 -0.066 0.000 0.746 57 E HN 0.785 nan 8.360 nan 0.000 0.466 58 Q N 0.584 120.337 119.800 -0.079 0.000 2.046 58 Q HA -0.171 4.169 4.340 -0.000 0.000 0.200 58 Q C 2.151 178.146 176.000 -0.009 0.000 0.975 58 Q CA 1.134 56.913 55.803 -0.040 0.000 0.836 58 Q CB 0.136 28.875 28.738 0.002 0.000 0.896 58 Q HN -0.015 nan 8.270 nan 0.000 0.428 59 R N -0.046 120.450 120.500 -0.007 0.000 2.083 59 R HA -0.102 4.238 4.340 -0.000 0.000 0.237 59 R C 2.218 178.516 176.300 -0.004 0.000 1.137 59 R CA 1.923 58.021 56.100 -0.002 0.000 0.951 59 R CB -0.341 29.955 30.300 -0.006 0.000 0.851 59 R HN 0.335 nan 8.270 nan 0.000 0.434 60 M N -0.432 119.159 119.600 -0.015 0.000 2.106 60 M HA -0.199 4.280 4.480 -0.000 0.000 0.259 60 M C 1.916 178.231 176.300 0.026 0.000 1.068 60 M CA 1.391 56.692 55.300 0.002 0.000 1.100 60 M CB -0.412 32.172 32.600 -0.026 0.000 1.351 60 M HN 0.115 nan 8.290 nan 0.000 0.404 61 L N 0.391 121.627 121.223 0.022 0.000 2.265 61 L HA -0.165 4.175 4.340 -0.000 0.000 0.215 61 L C 1.732 178.609 176.870 0.013 0.000 1.117 61 L CA 1.858 56.711 54.840 0.022 0.000 0.782 61 L CB -0.346 41.719 42.059 0.011 0.000 0.914 61 L HN 0.283 nan 8.230 nan 0.000 0.441 62 E N -2.260 117.946 120.200 0.010 0.000 2.364 62 E HA -0.009 4.341 4.350 -0.000 0.000 0.196 62 E C 1.671 178.276 176.600 0.008 0.000 0.990 62 E CA 0.922 57.327 56.400 0.008 0.000 0.886 62 E CB 0.187 29.892 29.700 0.009 0.000 0.866 62 E HN 0.608 nan 8.360 nan 0.000 0.493 63 T N -1.690 112.871 114.554 0.011 0.000 2.990 63 T HA 0.099 4.449 4.350 -0.000 0.000 0.249 63 T C 0.899 175.607 174.700 0.013 0.000 1.039 63 T CA -0.291 61.816 62.100 0.012 0.000 1.036 63 T CB 0.275 69.151 68.868 0.014 0.000 0.994 63 T HN -0.185 nan 8.240 nan 0.000 0.489 67 T N 0.361 114.860 114.554 -0.091 0.000 2.864 67 T HA 0.636 4.986 4.350 -0.000 0.000 0.299 67 T C -1.471 173.113 174.700 -0.194 0.000 1.166 67 T CA -0.620 61.403 62.100 -0.128 0.000 1.007 67 T CB 2.172 70.962 68.868 -0.129 0.000 1.219 67 T HN 0.136 nan 8.240 nan 0.000 0.506 68 K N 1.675 121.940 120.400 -0.224 0.000 2.592 68 K HA 0.240 4.560 4.320 -0.000 0.000 0.203 68 K C 0.054 176.441 176.600 -0.356 0.000 1.070 68 K CA -0.304 55.802 56.287 -0.302 0.000 1.062 68 K CB 0.712 33.075 32.500 -0.230 0.000 0.814 68 K HN 0.645 nan 8.250 nan 0.000 0.502 69 T N 0.705 115.065 114.554 -0.322 0.000 2.734 69 T HA 0.006 4.356 4.350 -0.000 0.000 0.314 69 T C 0.310 174.771 174.700 -0.399 0.000 1.057 69 T CA 0.069 61.956 62.100 -0.354 0.000 1.047 69 T CB 0.260 68.996 68.868 -0.220 0.000 0.991 69 T HN -0.003 nan 8.240 nan 0.000 0.540 70 Y N 0.700 120.779 120.300 -0.368 0.000 2.811 70 Y HA 0.332 4.882 4.550 -0.000 0.000 0.334 70 Y C 0.891 176.506 175.900 -0.475 0.000 1.247 70 Y CA 0.031 57.755 58.100 -0.627 0.000 1.526 70 Y CB -0.321 37.655 38.460 -0.806 0.000 1.284 70 Y HN 0.839 nan 8.280 nan 0.000 0.586 71 A N 2.452 125.102 122.820 -0.283 0.000 3.791 71 A HA 0.777 5.097 4.320 -0.000 0.000 0.159 71 A C 0.553 178.211 177.584 0.124 0.000 1.359 71 A CA -0.284 51.710 52.037 -0.071 0.000 0.899 71 A CB -0.499 18.473 19.000 -0.045 0.000 1.642 71 A HN 0.828 nan 8.150 nan 0.000 0.612 72 G N -0.839 108.089 108.800 0.213 0.000 2.365 72 G HA2 0.394 4.354 3.960 -0.000 0.000 0.249 72 G HA3 0.394 4.354 3.960 -0.000 0.000 0.249 72 G C 0.507 175.652 174.900 0.408 0.000 1.288 72 G CA 0.041 45.306 45.100 0.275 0.000 0.887 72 G HN 0.763 nan 8.290 nan 0.000 0.524 73 L N 2.469 123.892 121.223 0.334 0.000 2.093 73 L HA -0.021 4.318 4.340 -0.000 0.000 0.208 73 L C 2.582 179.498 176.870 0.075 0.000 1.085 73 L CA 2.484 57.373 54.840 0.083 0.000 0.755 73 L CB -0.073 41.879 42.059 -0.179 0.000 0.904 73 L HN 0.562 nan 8.230 nan 0.000 0.435 74 S N -1.271 114.490 115.700 0.101 0.000 2.572 74 S HA 0.611 5.081 4.470 -0.000 0.000 0.228 74 S C 0.720 175.408 174.600 0.146 0.000 0.963 74 S CA -0.059 58.202 58.200 0.101 0.000 0.939 74 S CB -0.418 62.828 63.200 0.075 0.000 0.804 74 S HN 0.771 nan 8.310 nan 0.000 0.480 75 G N 0.630 109.537 108.800 0.177 0.000 2.541 75 G HA2 0.069 4.029 3.960 -0.000 0.000 0.686 75 G HA3 0.069 4.029 3.960 -0.000 0.000 0.686 75 G C -1.471 173.540 174.900 0.185 0.000 1.286 75 G CA -1.025 44.187 45.100 0.186 0.000 0.894 75 G HN 0.227 nan 8.290 nan 0.000 0.575 76 E N 0.744 121.056 120.200 0.186 0.000 2.216 76 E HA 0.581 4.931 4.350 -0.000 0.000 0.279 76 E C -1.303 175.395 176.600 0.163 0.000 0.997 76 E CA -2.042 54.459 56.400 0.170 0.000 0.817 76 E CB 1.500 31.297 29.700 0.162 0.000 1.096 76 E HN 0.144 nan 8.360 nan 0.000 0.393 77 P HA -0.242 nan 4.420 nan 0.000 0.215 77 P C 1.009 178.347 177.300 0.063 0.000 1.163 77 P CA 1.362 64.509 63.100 0.077 0.000 0.894 77 P CB 0.309 32.045 31.700 0.060 0.000 0.791 78 E N -1.707 118.534 120.200 0.068 0.000 2.114 78 E HA -0.254 4.096 4.350 -0.000 0.000 0.199 78 E C 1.804 178.435 176.600 0.052 0.000 1.008 78 E CA 1.141 57.569 56.400 0.046 0.000 0.810 78 E CB -0.486 29.239 29.700 0.042 0.000 0.739 78 E HN 0.152 nan 8.360 nan 0.000 0.456 79 F N 1.240 121.146 119.950 -0.074 0.000 2.149 79 F HA -0.064 4.463 4.527 -0.000 0.000 0.294 79 F C 2.289 178.044 175.800 -0.074 0.000 1.095 79 F CA 1.489 59.424 58.000 -0.108 0.000 1.276 79 F CB -0.276 38.644 39.000 -0.134 0.000 1.023 79 F HN -0.023 nan 8.300 nan 0.000 0.480 80 Q N 0.171 119.928 119.800 -0.072 0.000 2.135 80 Q HA -0.271 4.069 4.340 -0.000 0.000 0.204 80 Q C 2.136 178.030 176.000 -0.177 0.000 0.981 80 Q CA 2.146 57.855 55.803 -0.156 0.000 0.856 80 Q CB -0.275 28.465 28.738 0.003 0.000 0.902 80 Q HN 0.358 nan 8.270 nan 0.000 0.425 81 K N 0.644 120.978 120.400 -0.109 0.000 2.031 81 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 81 K C 1.994 178.521 176.600 -0.121 0.000 1.049 81 K CA 1.184 57.419 56.287 -0.086 0.000 0.939 81 K CB -0.280 32.194 32.500 -0.042 0.000 0.717 81 K HN 0.159 nan 8.250 nan 0.000 0.438 82 A N 0.854 123.583 122.820 -0.152 0.000 1.883 82 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 82 A C 2.151 179.611 177.584 -0.207 0.000 1.186 82 A CA 1.850 53.795 52.037 -0.154 0.000 0.624 82 A CB -0.537 18.373 19.000 -0.149 0.000 0.822 82 A HN 0.324 nan 8.150 nan 0.000 0.444 83 M N -0.591 118.778 119.600 -0.383 0.000 2.099 83 M HA -0.082 4.398 4.480 -0.000 0.000 0.262 83 M C 2.379 178.562 176.300 -0.195 0.000 1.067 83 M CA 1.497 56.579 55.300 -0.363 0.000 1.124 83 M CB -2.038 30.185 32.600 -0.628 0.000 1.353 83 M HN 0.471 nan 8.290 nan 0.000 0.410 84 G N -0.035 108.658 108.800 -0.178 0.000 2.442 84 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.219 84 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.219 84 G C 1.523 176.383 174.900 -0.067 0.000 1.141 84 G CA 0.927 45.966 45.100 -0.101 0.000 0.763 84 G HN 0.550 nan 8.290 nan 0.000 0.554 85 E N -0.371 119.790 120.200 -0.064 0.000 2.158 85 E HA 0.114 4.464 4.350 -0.000 0.000 0.191 85 E C 2.392 178.983 176.600 -0.015 0.000 0.982 85 E CA -0.045 56.335 56.400 -0.034 0.000 0.823 85 E CB -0.118 29.565 29.700 -0.028 0.000 0.766 85 E HN 0.333 nan 8.360 nan 0.000 0.468 86 L N 0.897 122.113 121.223 -0.012 0.000 2.046 86 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 86 L C 2.113 179.000 176.870 0.028 0.000 1.077 86 L CA 1.339 56.201 54.840 0.037 0.000 0.747 86 L CB -0.055 42.043 42.059 0.064 0.000 0.896 86 L HN 0.182 nan 8.230 nan 0.000 0.432 87 I N -0.669 119.900 120.570 -0.002 0.000 2.296 87 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 87 I C 2.167 178.271 176.117 -0.022 0.000 1.087 87 I CA 0.944 62.239 61.300 -0.007 0.000 1.393 87 I CB -0.047 37.941 38.000 -0.019 0.000 1.093 87 I HN 0.169 nan 8.210 nan 0.000 0.421 88 L N 0.035 121.241 121.223 -0.028 0.000 2.446 88 L HA 0.258 4.598 4.340 -0.000 0.000 0.219 88 L C 1.528 178.383 176.870 -0.026 0.000 1.116 88 L CA 0.379 55.200 54.840 -0.031 0.000 0.844 88 L CB -0.747 41.294 42.059 -0.031 0.000 0.970 88 L HN 0.485 nan 8.230 nan 0.000 0.457 89 G N 0.949 109.738 108.800 -0.019 0.000 2.574 89 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.286 89 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.286 89 G C 0.454 175.346 174.900 -0.015 0.000 1.212 89 G CA 0.374 45.465 45.100 -0.014 0.000 0.979 89 G HN 0.246 nan 8.290 nan 0.000 0.557 90 D N 1.742 122.134 120.400 -0.013 0.000 2.218 90 D HA 0.058 4.698 4.640 -0.000 0.000 0.204 90 D C 1.833 178.125 176.300 -0.013 0.000 0.976 90 D CA 1.441 55.434 54.000 -0.012 0.000 0.853 90 D CB -0.646 40.148 40.800 -0.010 0.000 0.939 90 D HN 0.695 nan 8.370 nan 0.000 0.481 96 K N 2.189 122.582 120.400 -0.012 0.000 2.187 96 K HA 0.445 4.765 4.320 -0.000 0.000 0.242 96 K C 1.299 177.895 176.600 -0.007 0.000 1.179 96 K CA 0.387 56.670 56.287 -0.008 0.000 1.097 96 K CB 0.388 32.885 32.500 -0.006 0.000 1.634 96 K HN 0.657 nan 8.250 nan 0.000 0.335 97 S N 1.023 116.718 115.700 -0.008 0.000 2.389 97 S HA -0.286 4.184 4.470 -0.000 0.000 0.231 97 S C 1.706 176.305 174.600 -0.002 0.000 1.052 97 S CA 1.575 59.771 58.200 -0.006 0.000 1.053 97 S CB -0.155 63.042 63.200 -0.006 0.000 0.886 97 S HN 0.739 nan 8.310 nan 0.000 0.456 98 E N 0.640 120.839 120.200 -0.001 0.000 2.171 98 E HA -0.190 4.160 4.350 -0.000 0.000 0.197 98 E C 1.281 177.882 176.600 0.001 0.000 0.997 98 E CA 1.622 58.023 56.400 0.001 0.000 0.810 98 E CB -0.076 29.625 29.700 0.000 0.000 0.738 98 E HN 0.727 nan 8.360 nan 0.000 0.467 99 T N -2.017 112.538 114.554 0.000 0.000 3.129 99 T HA 0.179 4.528 4.350 -0.000 0.000 0.267 99 T C 0.111 174.812 174.700 0.002 0.000 1.018 99 T CA -0.411 61.690 62.100 0.002 0.000 0.903 99 T CB 0.642 69.511 68.868 0.001 0.000 1.067 99 T HN -0.149 nan 8.240 nan 0.000 0.549 100 T N 2.672 117.226 114.554 0.001 0.000 2.770 100 T HA 0.726 5.076 4.350 -0.000 0.000 0.283 100 T C -0.167 174.535 174.700 0.004 0.000 0.988 100 T CA -0.622 61.478 62.100 0.000 0.000 0.957 100 T CB 1.388 70.252 68.868 -0.007 0.000 0.930 100 T HN 0.439 nan 8.240 nan 0.000 0.443 101 A N 3.335 126.160 122.820 0.009 0.000 2.305 101 A HA 0.754 5.074 4.320 -0.000 0.000 0.322 101 A C 0.266 177.861 177.584 0.019 0.000 1.187 101 A CA -0.593 51.454 52.037 0.016 0.000 0.825 101 A CB 0.576 19.588 19.000 0.020 0.000 1.164 101 A HN 0.715 nan 8.150 nan 0.000 0.498 102 T N 1.721 116.290 114.554 0.025 0.000 2.887 102 T HA 0.625 4.975 4.350 -0.000 0.000 0.288 102 T C -1.222 173.513 174.700 0.059 0.000 1.021 102 T CA -0.280 61.838 62.100 0.030 0.000 1.000 102 T CB 1.333 70.206 68.868 0.008 0.000 1.034 102 T HN 0.638 nan 8.240 nan 0.000 0.467 103 L N 2.442 123.713 121.223 0.079 0.000 2.482 103 L HA 0.757 5.096 4.340 -0.000 0.000 0.269 103 L C -0.465 176.499 176.870 0.157 0.000 0.967 103 L CA -0.496 54.409 54.840 0.108 0.000 0.851 103 L CB 1.177 43.291 42.059 0.091 0.000 1.242 103 L HN 0.820 nan 8.230 nan 0.000 0.404 104 A N 3.001 125.940 122.820 0.199 0.000 2.450 104 A HA 0.658 4.978 4.320 -0.000 0.000 0.255 104 A C 0.252 177.941 177.584 0.175 0.000 1.096 104 A CA 0.510 52.690 52.037 0.238 0.000 0.778 104 A CB -0.069 19.035 19.000 0.173 0.000 1.031 104 A HN 0.815 nan 8.150 nan 0.000 0.494 105 T N -1.566 113.076 114.554 0.148 0.000 2.888 105 T HA 0.538 4.888 4.350 -0.000 0.000 0.288 105 T C -0.469 174.250 174.700 0.031 0.000 1.063 105 T CA -0.707 61.474 62.100 0.134 0.000 1.010 105 T CB 1.109 70.061 68.868 0.140 0.000 1.214 105 T HN 0.515 nan 8.240 nan 0.000 0.533 106 V N 2.301 122.204 119.914 -0.018 0.000 2.223 106 V HA 0.551 4.671 4.120 -0.000 0.000 0.249 106 V C 1.366 177.445 176.094 -0.025 0.000 1.233 106 V CA 0.749 62.984 62.300 -0.109 0.000 1.131 106 V CB -1.041 30.626 31.823 -0.260 0.000 1.298 106 V HN 1.482 nan 8.190 nan 0.000 0.498 107 G N 4.117 112.910 108.800 -0.013 0.000 2.888 107 G HA2 -0.053 3.906 3.960 -0.000 0.000 0.441 107 G HA3 -0.053 3.906 3.960 -0.000 0.000 0.441 107 G C 0.874 175.795 174.900 0.035 0.000 1.461 107 G CA -0.204 44.902 45.100 0.009 0.000 0.897 107 G HN 0.995 nan 8.290 nan 0.000 0.547 108 G N -1.251 107.560 108.800 0.017 0.000 2.442 108 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.219 108 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.219 108 G C 1.902 176.851 174.900 0.082 0.000 1.141 108 G CA 2.367 47.479 45.100 0.019 0.000 0.763 108 G HN 1.331 nan 8.290 nan 0.000 0.554 109 T N 0.980 115.607 114.554 0.123 0.000 2.759 109 T HA -0.062 4.288 4.350 -0.000 0.000 0.269 109 T C 2.481 177.267 174.700 0.144 0.000 1.042 109 T CA 1.445 63.662 62.100 0.194 0.000 1.140 109 T CB -0.519 68.478 68.868 0.215 0.000 0.864 109 T HN 0.363 nan 8.240 nan 0.000 0.455 110 G N 1.091 109.957 108.800 0.111 0.000 2.418 110 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.217 110 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.217 110 G C 1.844 176.826 174.900 0.137 0.000 1.158 110 G CA 0.856 46.031 45.100 0.125 0.000 0.771 110 G HN 0.581 nan 8.290 nan 0.000 0.545 111 A N 0.679 123.569 122.820 0.117 0.000 1.883 111 A HA 0.048 4.368 4.320 -0.000 0.000 0.217 111 A C 2.454 180.105 177.584 0.112 0.000 1.186 111 A CA 1.372 53.474 52.037 0.109 0.000 0.624 111 A CB -0.461 18.592 19.000 0.089 0.000 0.822 111 A HN 0.355 nan 8.150 nan 0.000 0.444 112 L N -1.170 120.130 121.223 0.128 0.000 1.989 112 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 112 L C 2.791 179.742 176.870 0.135 0.000 1.071 112 L CA 1.895 56.821 54.840 0.144 0.000 0.749 112 L CB -0.524 41.663 42.059 0.214 0.000 0.890 112 L HN 0.440 nan 8.230 nan 0.000 0.431 113 R N 0.224 120.808 120.500 0.139 0.000 2.080 113 R HA -0.195 4.145 4.340 -0.000 0.000 0.236 113 R C 2.317 178.687 176.300 0.116 0.000 1.137 113 R CA 1.655 57.834 56.100 0.130 0.000 0.943 113 R CB -0.502 29.876 30.300 0.131 0.000 0.846 113 R HN 0.310 nan 8.270 nan 0.000 0.431 114 Q N 0.016 119.884 119.800 0.113 0.000 2.084 114 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 114 Q C 2.140 178.191 176.000 0.085 0.000 0.978 114 Q CA 1.784 57.643 55.803 0.094 0.000 0.844 114 Q CB -0.586 28.210 28.738 0.097 0.000 0.898 114 Q HN 0.499 nan 8.270 nan 0.000 0.426 115 A N 0.849 123.722 122.820 0.087 0.000 1.883 115 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 115 A C 2.140 179.769 177.584 0.075 0.000 1.186 115 A CA 1.326 53.409 52.037 0.077 0.000 0.624 115 A CB -0.555 18.491 19.000 0.077 0.000 0.822 115 A HN 0.263 nan 8.150 nan 0.000 0.444 116 L N -0.023 121.250 121.223 0.083 0.000 2.083 116 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 116 L C 2.481 179.395 176.870 0.073 0.000 1.083 116 L CA 1.704 56.592 54.840 0.080 0.000 0.752 116 L CB -0.800 41.314 42.059 0.091 0.000 0.899 116 L HN 0.370 nan 8.230 nan 0.000 0.433 117 E N -0.798 119.448 120.200 0.077 0.000 2.072 117 E HA -0.205 4.144 4.350 -0.000 0.000 0.191 117 E C 2.216 178.856 176.600 0.066 0.000 0.985 117 E CA 0.901 57.344 56.400 0.072 0.000 0.801 117 E CB -0.423 29.321 29.700 0.075 0.000 0.750 117 E HN 0.281 nan 8.360 nan 0.000 0.452 118 L N 1.088 122.350 121.223 0.065 0.000 1.994 118 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 118 L C 2.258 179.156 176.870 0.046 0.000 1.071 118 L CA 2.177 57.051 54.840 0.057 0.000 0.745 118 L CB -0.840 41.253 42.059 0.056 0.000 0.892 118 L HN 0.045 nan 8.230 nan 0.000 0.431 119 A N -0.608 122.241 122.820 0.049 0.000 1.902 119 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 119 A C 2.547 180.155 177.584 0.041 0.000 1.181 119 A CA 1.842 53.907 52.037 0.045 0.000 0.623 119 A CB -0.688 18.344 19.000 0.054 0.000 0.818 119 A HN 0.496 nan 8.150 nan 0.000 0.443 120 R N -1.061 119.464 120.500 0.043 0.000 2.148 120 R HA -0.026 4.314 4.340 -0.000 0.000 0.227 120 R C 2.040 178.357 176.300 0.028 0.000 1.103 120 R CA 1.378 57.499 56.100 0.035 0.000 0.983 120 R CB -0.251 30.071 30.300 0.036 0.000 0.874 120 R HN 0.587 nan 8.270 nan 0.000 0.451 121 M N -0.771 118.847 119.600 0.029 0.000 2.156 121 M HA -0.050 4.430 4.480 -0.000 0.000 0.264 121 M C 2.333 178.636 176.300 0.005 0.000 1.067 121 M CA 1.595 56.905 55.300 0.017 0.000 1.131 121 M CB -0.070 32.542 32.600 0.019 0.000 1.368 121 M HN 0.228 nan 8.290 nan 0.000 0.416 122 A N 0.092 122.918 122.820 0.011 0.000 2.014 122 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 122 A C 0.743 178.333 177.584 0.010 0.000 1.163 122 A CA 1.276 53.316 52.037 0.007 0.000 0.652 122 A CB -0.341 18.666 19.000 0.012 0.000 0.808 122 A HN 0.534 nan 8.150 nan 0.000 0.449 123 N N -1.923 116.787 118.700 0.016 0.000 2.599 123 N HA 0.325 5.065 4.740 -0.000 0.000 0.283 123 N C -2.827 172.695 175.510 0.020 0.000 1.160 123 N CA -1.478 51.583 53.050 0.018 0.000 0.869 123 N CB 1.463 39.965 38.487 0.025 0.000 1.448 123 N HN -0.253 nan 8.380 nan 0.000 0.535 124 P HA -0.011 nan 4.420 nan 0.000 0.218 124 P C -0.218 177.091 177.300 0.015 0.000 1.149 124 P CA 1.020 64.127 63.100 0.012 0.000 0.817 124 P CB 0.259 31.963 31.700 0.006 0.000 0.785 125 D N -0.623 119.788 120.400 0.018 0.000 2.352 125 D HA 0.045 4.685 4.640 -0.000 0.000 0.236 125 D C 0.898 177.218 176.300 0.034 0.000 1.148 125 D CA -0.063 53.950 54.000 0.022 0.000 0.844 125 D CB -0.198 40.614 40.800 0.021 0.000 0.933 125 D HN 0.148 nan 8.370 nan 0.000 0.507 134 F N 3.340 123.364 119.950 0.123 0.000 2.444 134 F HA 0.826 5.353 4.527 0.000 0.000 0.342 134 F C 0.186 176.143 175.800 0.261 0.000 1.121 134 F CA -0.746 57.380 58.000 0.210 0.000 0.997 134 F CB 2.129 41.280 39.000 0.252 0.000 1.130 134 F HN 0.468 nan 8.300 nan 0.000 0.454 135 V N 0.065 120.129 119.914 0.250 0.000 2.914 135 V HA 0.775 4.895 4.120 -0.000 0.000 0.314 135 V C -0.102 175.721 176.094 -0.451 0.000 1.084 135 V CA -1.160 61.163 62.300 0.039 0.000 0.963 135 V CB 1.268 33.102 31.823 0.019 0.000 1.025 135 V HN 0.743 nan 8.190 nan 0.000 0.432 136 S N 0.970 116.261 115.700 -0.682 0.000 2.589 136 S HA 0.353 4.823 4.470 -0.000 0.000 0.265 136 S C -0.290 174.100 174.600 -0.351 0.000 1.342 136 S CA -0.021 57.604 58.200 -0.957 0.000 1.005 136 S CB 0.877 63.691 63.200 -0.643 0.000 0.909 136 S HN 1.088 nan 8.310 nan 0.000 0.555 137 D N 1.833 122.107 120.400 -0.210 0.000 2.461 137 D HA 0.520 5.160 4.640 -0.000 0.000 0.240 137 D C -2.246 174.094 176.300 0.068 0.000 1.094 137 D CA -1.851 52.130 54.000 -0.031 0.000 0.868 137 D CB 1.255 42.064 40.800 0.015 0.000 1.062 137 D HN 0.356 nan 8.370 nan 0.000 0.530 138 P HA 0.419 nan 4.420 nan 0.000 0.304 138 P C -0.651 176.694 177.300 0.075 0.000 1.310 138 P CA -0.477 62.638 63.100 0.025 0.000 0.796 138 P CB 2.029 33.730 31.700 0.001 0.000 1.297 139 T N -2.121 112.494 114.554 0.102 0.000 2.792 139 T HA 0.330 4.680 4.350 -0.000 0.000 0.303 139 T C -1.838 172.990 174.700 0.214 0.000 1.310 139 T CA -0.449 61.785 62.100 0.223 0.000 1.007 139 T CB 0.213 69.308 68.868 0.377 0.000 1.335 139 T HN 0.329 nan 8.240 nan 0.000 0.504 140 W N 4.060 125.370 121.300 0.016 0.000 2.417 140 W HA 0.269 4.929 4.660 -0.000 0.000 0.332 140 W C -2.068 174.323 176.519 -0.214 0.000 1.413 140 W CA -1.379 55.827 57.345 -0.231 0.000 1.299 140 W CB 0.252 29.397 29.460 -0.525 0.000 1.304 140 W HN 0.593 nan 8.180 nan 0.000 0.565 141 P HA -0.279 nan 4.420 nan 0.000 0.217 141 P C 1.080 178.088 177.300 -0.488 0.000 1.148 141 P CA 2.298 65.179 63.100 -0.365 0.000 0.834 141 P CB 0.244 31.741 31.700 -0.339 0.000 0.783 142 N N -2.092 116.017 118.700 -0.984 0.000 2.223 142 N HA -0.163 4.577 4.740 -0.000 0.000 0.185 142 N C 1.550 176.843 175.510 -0.361 0.000 1.016 142 N CA 0.882 53.410 53.050 -0.870 0.000 0.863 142 N CB -0.482 36.997 38.487 -1.680 0.000 0.983 142 N HN 0.388 nan 8.380 nan 0.000 0.429 143 H N -0.937 118.016 119.070 -0.194 0.000 2.267 143 H HA -0.101 4.455 4.556 -0.000 0.000 0.297 143 H C 1.913 177.226 175.328 -0.025 0.000 1.080 143 H CA 1.486 57.531 56.048 -0.005 0.000 1.278 143 H CB -0.037 29.771 29.762 0.078 0.000 1.365 143 H HN 0.008 nan 8.280 nan 0.000 0.489 144 V N 0.819 120.789 119.914 0.093 0.000 2.407 144 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 144 V C 2.610 178.711 176.094 0.012 0.000 1.055 144 V CA 1.842 64.164 62.300 0.037 0.000 1.049 144 V CB -0.601 31.225 31.823 0.006 0.000 0.662 144 V HN 0.592 nan 8.190 nan 0.000 0.455 145 S N 0.479 116.155 115.700 -0.040 0.000 2.356 145 S HA -0.175 4.295 4.470 -0.000 0.000 0.223 145 S C 1.982 176.604 174.600 0.037 0.000 1.032 145 S CA 1.712 59.893 58.200 -0.031 0.000 1.005 145 S CB -0.710 62.425 63.200 -0.109 0.000 0.867 145 S HN 0.517 nan 8.310 nan 0.000 0.449 146 I N 1.552 122.138 120.570 0.027 0.000 2.127 146 I HA -0.236 3.934 4.170 -0.000 0.000 0.241 146 I C 2.886 179.103 176.117 0.167 0.000 1.075 146 I CA 1.927 63.287 61.300 0.100 0.000 1.334 146 I CB -0.467 37.588 38.000 0.091 0.000 1.040 146 I HN 0.308 nan 8.210 nan 0.000 0.405 147 M N 0.134 119.803 119.600 0.114 0.000 2.117 147 M HA -0.210 4.270 4.480 -0.000 0.000 0.262 147 M C 2.031 178.377 176.300 0.077 0.000 1.065 147 M CA 1.740 57.094 55.300 0.090 0.000 1.114 147 M CB -0.578 32.060 32.600 0.064 0.000 1.361 147 M HN 0.236 nan 8.290 nan 0.000 0.408 148 N N 0.278 119.024 118.700 0.077 0.000 2.120 148 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 148 N C 1.489 177.052 175.510 0.089 0.000 1.024 148 N CA 1.238 54.325 53.050 0.061 0.000 0.852 148 N CB -0.504 38.015 38.487 0.052 0.000 1.003 148 N HN 0.280 nan 8.380 nan 0.000 0.424 149 F N 1.231 121.176 119.950 -0.009 0.000 2.134 149 F HA -0.036 4.490 4.527 -0.000 0.000 0.299 149 F C 2.107 177.908 175.800 0.002 0.000 1.097 149 F CA 1.276 59.272 58.000 -0.005 0.000 1.264 149 F CB -0.220 38.777 39.000 -0.006 0.000 1.001 149 F HN -0.028 nan 8.300 nan 0.000 0.479 150 M N -0.411 119.188 119.600 -0.001 0.000 2.476 150 M HA 0.107 4.586 4.480 -0.000 0.000 0.262 150 M C 1.556 177.794 176.300 -0.102 0.000 1.079 150 M CA 1.163 56.409 55.300 -0.090 0.000 1.104 150 M CB -0.511 32.115 32.600 0.043 0.000 1.409 150 M HN 0.398 nan 8.290 nan 0.000 0.467 151 G N 1.291 110.050 108.800 -0.068 0.000 2.136 151 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.242 151 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.242 151 G C 0.061 174.945 174.900 -0.028 0.000 0.989 151 G CA -0.219 44.848 45.100 -0.056 0.000 0.682 151 G HN 0.365 nan 8.290 nan 0.000 0.522 155 V N 2.958 122.822 119.914 -0.082 0.000 2.459 155 V HA 0.495 4.615 4.120 -0.000 0.000 0.295 155 V C 0.014 176.000 176.094 -0.181 0.000 1.029 155 V CA -0.318 61.915 62.300 -0.111 0.000 0.874 155 V CB 1.909 33.701 31.823 -0.052 0.000 0.985 155 V HN 0.515 nan 8.190 nan 0.000 0.438 156 Q N 1.748 121.358 119.800 -0.317 0.000 2.387 156 Q HA 0.586 4.926 4.340 -0.000 0.000 0.273 156 Q C -0.762 175.111 176.000 -0.211 0.000 1.089 156 Q CA -0.534 55.028 55.803 -0.400 0.000 0.824 156 Q CB 2.731 30.874 28.738 -0.993 0.000 1.367 156 Q HN 0.713 nan 8.270 nan 0.000 0.443 157 T N 1.695 116.211 114.554 -0.064 0.000 2.918 157 T HA 0.617 4.967 4.350 -0.000 0.000 0.286 157 T C -1.129 173.698 174.700 0.211 0.000 1.026 157 T CA -0.480 61.639 62.100 0.032 0.000 1.031 157 T CB 0.507 69.372 68.868 -0.005 0.000 1.046 157 T HN 0.433 nan 8.240 nan 0.000 0.479 158 Y N -0.321 120.088 120.300 0.182 0.000 2.442 158 Y HA 0.727 5.277 4.550 -0.000 0.000 0.344 158 Y C -0.061 175.934 175.900 0.157 0.000 0.976 158 Y CA -1.603 56.608 58.100 0.184 0.000 1.040 158 Y CB 0.791 39.380 38.460 0.214 0.000 1.228 158 Y HN 0.408 nan 8.280 nan 0.000 0.451 159 R N 2.051 122.716 120.500 0.276 0.000 2.698 159 R HA 0.062 4.402 4.340 -0.000 0.000 0.266 159 R C -0.823 175.657 176.300 0.301 0.000 1.026 159 R CA 0.916 57.133 56.100 0.196 0.000 1.102 159 R CB 0.248 30.619 30.300 0.118 0.000 0.978 159 R HN 0.976 nan 8.270 nan 0.000 0.436 160 Y N 1.428 121.768 120.300 0.066 0.000 3.331 160 Y HA 0.154 4.704 4.550 -0.000 0.000 0.172 160 Y C -0.686 175.242 175.900 0.047 0.000 0.942 160 Y CA -0.412 57.720 58.100 0.054 0.000 1.797 160 Y CB 0.256 38.692 38.460 -0.040 0.000 1.426 160 Y HN 0.474 nan 8.280 nan 0.000 0.316 161 F N 3.534 123.555 119.950 0.119 0.000 2.445 161 F HA 0.291 4.818 4.527 -0.000 0.000 0.359 161 F C -0.233 175.544 175.800 -0.038 0.000 1.101 161 F CA -0.677 57.328 58.000 0.008 0.000 1.177 161 F CB 0.380 39.408 39.000 0.047 0.000 1.110 161 F HN 0.140 nan 8.300 nan 0.000 0.522 162 D N 4.818 124.870 120.400 -0.580 0.000 2.380 162 D HA 0.356 4.996 4.640 -0.000 0.000 0.230 162 D C 0.807 176.654 176.300 -0.755 0.000 1.154 162 D CA 0.136 53.851 54.000 -0.475 0.000 0.859 162 D CB 1.393 41.976 40.800 -0.361 0.000 1.045 162 D HN 0.647 nan 8.370 nan 0.000 0.495 163 A N 3.780 126.354 122.820 -0.411 0.000 2.125 163 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 163 A C 1.852 179.277 177.584 -0.264 0.000 1.156 163 A CA 1.271 53.147 52.037 -0.269 0.000 0.671 163 A CB -0.347 18.640 19.000 -0.022 0.000 0.794 163 A HN 0.740 nan 8.150 nan 0.000 0.459 164 E N -0.606 119.435 120.200 -0.266 0.000 2.075 164 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 164 E C 1.915 178.356 176.600 -0.264 0.000 0.969 164 E CA 1.405 57.680 56.400 -0.209 0.000 0.815 164 E CB 0.055 29.666 29.700 -0.149 0.000 0.776 164 E HN 0.653 nan 8.360 nan 0.000 0.457 165 T N -2.324 112.043 114.554 -0.312 0.000 3.060 165 T HA 0.191 4.541 4.350 -0.000 0.000 0.249 165 T C 0.631 175.067 174.700 -0.441 0.000 1.079 165 T CA 0.108 62.035 62.100 -0.289 0.000 1.013 165 T CB 0.117 68.866 68.868 -0.199 0.000 0.975 165 T HN 0.098 nan 8.240 nan 0.000 0.518 166 R N 0.236 120.332 120.500 -0.673 0.000 3.953 166 R HA -0.100 4.240 4.340 -0.000 0.000 0.340 166 R C 0.677 176.763 176.300 -0.356 0.000 1.195 166 R CA 0.852 56.468 56.100 -0.807 0.000 0.929 166 R CB -2.158 27.462 30.300 -1.135 0.000 1.402 166 R HN 0.744 nan 8.270 nan 0.000 0.540 167 G N -1.603 106.974 108.800 -0.372 0.000 2.795 167 G HA2 0.609 4.569 3.960 -0.000 0.000 0.267 167 G HA3 0.609 4.569 3.960 -0.000 0.000 0.267 167 G C -0.767 173.974 174.900 -0.266 0.000 1.362 167 G CA -0.362 44.641 45.100 -0.162 0.000 1.048 167 G HN 0.043 nan 8.290 nan 0.000 0.547 168 V N 0.928 120.695 119.914 -0.245 0.000 2.432 168 V HA 0.195 4.315 4.120 -0.000 0.000 0.275 168 V C -0.270 175.685 176.094 -0.231 0.000 1.043 168 V CA -0.370 61.705 62.300 -0.376 0.000 0.925 168 V CB 1.495 33.030 31.823 -0.480 0.000 0.985 168 V HN 0.696 nan 8.190 nan 0.000 0.466 169 D N 3.690 123.961 120.400 -0.213 0.000 2.619 169 D HA 0.054 4.694 4.640 -0.000 0.000 0.224 169 D C 0.875 177.157 176.300 -0.029 0.000 1.133 169 D CA -0.291 53.647 54.000 -0.103 0.000 1.017 169 D CB -0.112 40.635 40.800 -0.088 0.000 1.077 169 D HN 0.407 nan 8.370 nan 0.000 0.503 170 F N 1.813 121.658 119.950 -0.176 0.000 2.126 170 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 170 F C 1.891 177.637 175.800 -0.090 0.000 1.096 170 F CA 1.337 59.250 58.000 -0.145 0.000 1.255 170 F CB 0.263 39.178 39.000 -0.141 0.000 0.997 170 F HN 0.243 nan 8.300 nan 0.000 0.479 171 E N -0.065 120.081 120.200 -0.089 0.000 2.077 171 E HA -0.147 4.202 4.350 -0.000 0.000 0.193 171 E C 2.576 179.076 176.600 -0.165 0.000 0.989 171 E CA 1.217 57.522 56.400 -0.159 0.000 0.800 171 E CB -1.250 28.412 29.700 -0.064 0.000 0.746 171 E HN 0.491 nan 8.360 nan 0.000 0.452 172 G N 1.088 109.830 108.800 -0.097 0.000 2.402 172 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 172 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 172 G C 1.640 176.514 174.900 -0.043 0.000 1.162 172 G CA 0.886 45.955 45.100 -0.051 0.000 0.777 172 G HN 0.209 nan 8.290 nan 0.000 0.539 173 M N 0.106 119.670 119.600 -0.061 0.000 2.117 173 M HA -0.029 4.451 4.480 -0.000 0.000 0.262 173 M C 2.528 178.706 176.300 -0.203 0.000 1.065 173 M CA 1.596 56.887 55.300 -0.014 0.000 1.114 173 M CB -0.139 32.471 32.600 0.017 0.000 1.361 173 M HN 0.123 nan 8.290 nan 0.000 0.408 174 K N 0.128 120.291 120.400 -0.395 0.000 2.002 174 K HA -0.114 4.206 4.320 -0.000 0.000 0.209 174 K C 2.054 178.517 176.600 -0.228 0.000 1.048 174 K CA 1.513 57.554 56.287 -0.409 0.000 0.930 174 K CB -0.367 31.804 32.500 -0.549 0.000 0.714 174 K HN 0.449 nan 8.250 nan 0.000 0.438 175 A N 2.106 124.828 122.820 -0.163 0.000 1.883 175 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 175 A C 1.656 179.208 177.584 -0.053 0.000 1.186 175 A CA 2.121 54.103 52.037 -0.092 0.000 0.624 175 A CB -0.519 18.445 19.000 -0.060 0.000 0.822 175 A HN 0.221 nan 8.150 nan 0.000 0.444 176 D N -0.093 120.296 120.400 -0.018 0.000 2.144 176 D HA -0.074 4.566 4.640 -0.000 0.000 0.200 176 D C 1.897 178.200 176.300 0.006 0.000 0.978 176 D CA 0.807 54.845 54.000 0.063 0.000 0.833 176 D CB -0.308 40.595 40.800 0.172 0.000 0.961 176 D HN 0.439 nan 8.370 nan 0.000 0.470 177 L N 0.596 121.737 121.223 -0.137 0.000 2.217 177 L HA -0.041 4.299 4.340 -0.000 0.000 0.211 177 L C 2.405 179.108 176.870 -0.277 0.000 1.107 177 L CA 0.592 55.246 54.840 -0.309 0.000 0.783 177 L CB -0.340 41.494 42.059 -0.375 0.000 0.919 177 L HN -0.027 nan 8.230 nan 0.000 0.442 178 A N 0.293 123.008 122.820 -0.175 0.000 2.024 178 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 178 A C 2.442 179.961 177.584 -0.108 0.000 1.164 178 A CA 1.669 53.627 52.037 -0.132 0.000 0.643 178 A CB -0.468 18.476 19.000 -0.094 0.000 0.806 178 A HN 0.414 nan 8.150 nan 0.000 0.451 179 A N -0.441 122.331 122.820 -0.080 0.000 2.119 179 A HA 0.473 4.793 4.320 -0.000 0.000 0.217 179 A C 1.463 179.026 177.584 -0.036 0.000 1.153 179 A CA 0.852 52.886 52.037 -0.006 0.000 0.692 179 A CB -0.875 18.187 19.000 0.104 0.000 0.799 179 A HN 1.063 nan 8.150 nan 0.000 0.458 180 A N 0.628 123.275 122.820 -0.288 0.000 2.483 180 A HA 0.448 4.768 4.320 -0.000 0.000 0.238 180 A C 0.543 178.043 177.584 -0.139 0.000 1.070 180 A CA 0.346 52.136 52.037 -0.412 0.000 0.770 180 A CB 0.068 18.573 19.000 -0.825 0.000 1.008 180 A HN 0.657 nan 8.150 nan 0.000 0.497 181 K N 0.556 120.937 120.400 -0.032 0.000 2.279 181 K HA 0.650 4.970 4.320 -0.000 0.000 0.238 181 K C -0.635 175.968 176.600 0.004 0.000 1.084 181 K CA -1.166 55.118 56.287 -0.004 0.000 0.885 181 K CB 0.541 33.061 32.500 0.032 0.000 1.319 181 K HN 0.248 nan 8.250 nan 0.000 0.494 182 K N 0.153 120.558 120.400 0.008 0.000 2.466 182 K HA 0.059 4.379 4.320 -0.000 0.000 0.278 182 K C 0.779 177.396 176.600 0.028 0.000 1.048 182 K CA 2.006 58.300 56.287 0.012 0.000 1.088 182 K CB -0.559 31.948 32.500 0.011 0.000 0.884 182 K HN 0.859 nan 8.250 nan 0.000 0.478 183 G N 3.012 111.829 108.800 0.029 0.000 2.217 183 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.246 183 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.246 183 G C -0.163 174.776 174.900 0.066 0.000 0.990 183 G CA 0.132 45.257 45.100 0.042 0.000 0.627 183 G HN 0.661 nan 8.290 nan 0.000 0.522 184 D N 0.219 120.669 120.400 0.084 0.000 2.357 184 D HA 0.478 5.118 4.640 -0.000 0.000 0.242 184 D C 0.709 177.088 176.300 0.132 0.000 1.153 184 D CA 0.175 54.267 54.000 0.154 0.000 0.918 184 D CB 0.878 41.822 40.800 0.241 0.000 1.181 184 D HN 0.407 nan 8.370 nan 0.000 0.435 185 M N 1.492 121.209 119.600 0.195 0.000 2.167 185 M HA 0.342 4.822 4.480 -0.000 0.000 0.333 185 M C -1.685 174.749 176.300 0.223 0.000 1.030 185 M CA -0.666 54.730 55.300 0.161 0.000 0.963 185 M CB 1.146 33.827 32.600 0.134 0.000 1.589 185 M HN -0.050 nan 8.290 nan 0.000 0.431 186 V N 6.759 126.760 119.914 0.144 0.000 2.350 186 V HA 0.344 4.464 4.120 -0.000 0.000 0.276 186 V C -0.277 175.929 176.094 0.186 0.000 1.028 186 V CA -0.663 61.734 62.300 0.162 0.000 0.860 186 V CB 1.364 33.178 31.823 -0.016 0.000 0.990 186 V HN 0.826 nan 8.190 nan 0.000 0.453 187 L N 6.563 127.939 121.223 0.255 0.000 2.281 187 L HA 0.475 4.815 4.340 -0.000 0.000 0.285 187 L C -1.079 175.966 176.870 0.292 0.000 1.074 187 L CA -0.319 54.630 54.840 0.182 0.000 0.817 187 L CB 0.741 42.825 42.059 0.040 0.000 1.168 187 L HN 0.400 nan 8.230 nan 0.000 0.434 188 L N 4.769 126.155 121.223 0.273 0.000 2.354 188 L HA 0.460 4.800 4.340 -0.000 0.000 0.269 188 L C -0.198 176.917 176.870 0.409 0.000 1.005 188 L CA -0.535 54.547 54.840 0.404 0.000 0.819 188 L CB 1.699 44.027 42.059 0.448 0.000 1.311 188 L HN 0.556 nan 8.230 nan 0.000 0.423 189 H N 1.401 120.659 119.070 0.313 0.000 2.562 189 H HA 0.162 4.718 4.556 -0.000 0.000 0.314 189 H C 0.874 176.469 175.328 0.444 0.000 1.079 189 H CA 0.047 56.270 56.048 0.291 0.000 1.349 189 H CB 1.825 31.715 29.762 0.214 0.000 1.432 189 H HN 0.884 nan 8.280 nan 0.000 0.479 190 G N 2.742 111.810 108.800 0.445 0.000 2.432 190 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.219 190 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.219 190 G C 0.563 175.729 174.900 0.445 0.000 1.135 190 G CA 1.077 46.407 45.100 0.384 0.000 0.767 190 G HN 0.770 nan 8.290 nan 0.000 0.550 191 C N -5.069 114.476 119.300 0.409 0.000 3.259 191 C HA 0.490 4.950 4.460 -0.000 0.000 0.344 191 C C 0.406 175.597 174.990 0.334 0.000 1.401 191 C CA -1.030 58.207 59.018 0.364 0.000 1.219 191 C CB 0.596 28.497 27.740 0.268 0.000 1.521 191 C HN 0.802 nan 8.230 nan 0.000 0.455 192 C N 2.222 121.675 119.300 0.255 0.000 3.349 192 C HA -0.133 4.327 4.460 -0.000 0.000 0.275 192 C C 0.619 175.697 174.990 0.146 0.000 1.322 192 C CA 1.159 60.264 59.018 0.144 0.000 2.261 192 C CB -3.225 24.537 27.740 0.036 0.000 1.446 192 C HN 1.206 nan 8.230 nan 0.000 0.533 193 H N 2.159 121.280 119.070 0.085 0.000 3.187 193 H HA 0.023 4.579 4.556 -0.000 0.000 0.286 193 H C 0.586 175.888 175.328 -0.043 0.000 0.944 193 H CA 1.106 57.128 56.048 -0.044 0.000 1.429 193 H CB 0.412 30.064 29.762 -0.183 0.000 1.483 193 H HN 0.712 nan 8.280 nan 0.000 0.555 194 N N 7.340 125.900 118.700 -0.233 0.000 2.434 194 N HA 0.104 4.844 4.740 -0.000 0.000 0.272 194 N C -1.854 173.493 175.510 -0.271 0.000 1.040 194 N CA -2.185 50.798 53.050 -0.111 0.000 0.956 194 N CB 1.532 40.029 38.487 0.017 0.000 1.108 194 N HN 0.363 nan 8.380 nan 0.000 0.481 195 P HA -0.008 nan 4.420 nan 0.000 0.228 195 P C 1.081 178.353 177.300 -0.047 0.000 1.166 195 P CA 0.768 63.781 63.100 -0.146 0.000 0.812 195 P CB 0.133 31.721 31.700 -0.186 0.000 0.857 196 T N -2.178 112.355 114.554 -0.034 0.000 2.624 196 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 196 T C 1.868 176.520 174.700 -0.081 0.000 1.041 196 T CA 2.461 64.439 62.100 -0.203 0.000 1.159 196 T CB -1.636 67.010 68.868 -0.371 0.000 0.863 196 T HN 0.264 nan 8.240 nan 0.000 0.434 197 G N 1.232 110.019 108.800 -0.022 0.000 2.194 197 G HA2 0.056 4.016 3.960 -0.000 0.000 0.236 197 G HA3 0.056 4.016 3.960 -0.000 0.000 0.236 197 G C 0.232 174.893 174.900 -0.398 0.000 0.987 197 G CA 0.083 45.108 45.100 -0.124 0.000 0.635 197 G HN 1.387 nan 8.290 nan 0.000 0.520 198 A N 0.300 122.910 122.820 -0.351 0.000 2.328 198 A HA 0.712 5.032 4.320 -0.000 0.000 0.284 198 A C 0.190 177.813 177.584 0.064 0.000 1.160 198 A CA -0.191 51.740 52.037 -0.177 0.000 0.818 198 A CB 0.430 19.431 19.000 0.002 0.000 1.087 198 A HN 0.342 nan 8.150 nan 0.000 0.504 199 N N 1.076 119.815 118.700 0.066 0.000 2.380 199 N HA 0.505 5.245 4.740 -0.000 0.000 0.290 199 N C -1.059 174.460 175.510 0.014 0.000 1.236 199 N CA -0.540 52.588 53.050 0.130 0.000 0.780 199 N CB 1.518 40.121 38.487 0.193 0.000 1.438 199 N HN 0.551 nan 8.380 nan 0.000 0.491 200 L N 0.868 122.082 121.223 -0.015 0.000 2.371 200 L HA 0.323 4.663 4.340 -0.000 0.000 0.272 200 L C 1.199 178.047 176.870 -0.037 0.000 1.124 200 L CA -0.497 54.205 54.840 -0.229 0.000 0.816 200 L CB 0.780 42.441 42.059 -0.662 0.000 1.129 200 L HN 0.612 nan 8.230 nan 0.000 0.448 201 T N -1.036 113.457 114.554 -0.102 0.000 2.874 201 T HA 0.186 4.536 4.350 -0.000 0.000 0.281 201 T C 0.941 175.744 174.700 0.172 0.000 0.994 201 T CA -0.830 61.291 62.100 0.036 0.000 1.015 201 T CB 1.318 70.156 68.868 -0.050 0.000 1.028 201 T HN 0.396 nan 8.240 nan 0.000 0.523 202 L N 0.628 121.978 121.223 0.211 0.000 2.129 202 L HA -0.080 4.260 4.340 -0.000 0.000 0.212 202 L C 2.044 179.016 176.870 0.169 0.000 1.087 202 L CA 1.803 56.785 54.840 0.236 0.000 0.757 202 L CB -1.078 41.048 42.059 0.111 0.000 0.896 202 L HN 0.736 nan 8.230 nan 0.000 0.434 203 D N -1.303 119.134 120.400 0.062 0.000 2.178 203 D HA -0.173 4.467 4.640 -0.000 0.000 0.202 203 D C 2.039 178.321 176.300 -0.029 0.000 0.974 203 D CA 0.955 54.966 54.000 0.018 0.000 0.841 203 D CB 0.178 40.967 40.800 -0.019 0.000 0.953 203 D HN 0.549 nan 8.370 nan 0.000 0.478 204 Q N -0.811 118.883 119.800 -0.177 0.000 2.172 204 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 204 Q C 1.996 177.940 176.000 -0.093 0.000 0.964 204 Q CA 0.752 56.274 55.803 -0.469 0.000 0.855 204 Q CB -0.002 28.107 28.738 -1.048 0.000 0.918 204 Q HN 0.386 nan 8.270 nan 0.000 0.444 205 W N 0.547 121.830 121.300 -0.028 0.000 2.388 205 W HA -0.132 4.528 4.660 -0.000 0.000 0.294 205 W C 2.458 179.014 176.519 0.061 0.000 1.212 205 W CA 1.013 58.388 57.345 0.050 0.000 1.271 205 W CB -0.117 29.368 29.460 0.041 0.000 1.126 205 W HN 0.146 nan 8.180 nan 0.000 0.535 206 A N 0.238 123.226 122.820 0.281 0.000 1.902 206 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 206 A C 1.750 179.429 177.584 0.158 0.000 1.181 206 A CA 1.901 54.045 52.037 0.179 0.000 0.623 206 A CB -0.745 18.326 19.000 0.120 0.000 0.818 206 A HN 0.371 nan 8.150 nan 0.000 0.443 207 E N -0.479 119.827 120.200 0.175 0.000 2.047 207 E HA -0.139 4.210 4.350 -0.000 0.000 0.191 207 E C 1.892 178.585 176.600 0.156 0.000 0.987 207 E CA 0.973 57.480 56.400 0.179 0.000 0.799 207 E CB -0.203 29.670 29.700 0.289 0.000 0.752 207 E HN 0.494 nan 8.360 nan 0.000 0.449 208 I N 1.281 121.975 120.570 0.206 0.000 2.264 208 I HA -0.270 3.899 4.170 -0.000 0.000 0.248 208 I C 2.489 178.666 176.117 0.101 0.000 1.111 208 I CA 1.193 62.565 61.300 0.120 0.000 1.382 208 I CB -1.403 36.668 38.000 0.118 0.000 1.060 208 I HN 0.037 nan 8.210 nan 0.000 0.418 209 A N 0.313 123.225 122.820 0.153 0.000 1.908 209 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 209 A C 2.547 180.170 177.584 0.064 0.000 1.181 209 A CA 2.265 54.373 52.037 0.119 0.000 0.627 209 A CB -0.770 18.306 19.000 0.127 0.000 0.818 209 A HN 0.462 nan 8.150 nan 0.000 0.445 210 S N -0.089 115.646 115.700 0.058 0.000 2.402 210 S HA -0.073 4.397 4.470 -0.000 0.000 0.229 210 S C 1.726 176.327 174.600 0.001 0.000 1.021 210 S CA 1.240 59.457 58.200 0.029 0.000 0.974 210 S CB -0.301 62.918 63.200 0.032 0.000 0.800 210 S HN 0.504 nan 8.310 nan 0.000 0.484 211 I N 1.560 122.122 120.570 -0.014 0.000 2.286 211 I HA -0.052 4.118 4.170 -0.000 0.000 0.245 211 I C 2.101 178.182 176.117 -0.059 0.000 1.104 211 I CA 1.074 62.339 61.300 -0.058 0.000 1.397 211 I CB -1.367 36.571 38.000 -0.105 0.000 1.072 211 I HN 0.281 nan 8.210 nan 0.000 0.417 212 L N 0.428 121.630 121.223 -0.035 0.000 2.093 212 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 212 L C 2.530 179.390 176.870 -0.016 0.000 1.085 212 L CA 1.246 56.068 54.840 -0.030 0.000 0.755 212 L CB -0.460 41.603 42.059 0.006 0.000 0.904 212 L HN 0.265 nan 8.230 nan 0.000 0.435 213 E N 0.111 120.309 120.200 -0.003 0.000 2.072 213 E HA -0.258 4.092 4.350 -0.000 0.000 0.191 213 E C 2.105 178.699 176.600 -0.010 0.000 0.985 213 E CA 1.098 57.498 56.400 -0.000 0.000 0.801 213 E CB -0.005 29.700 29.700 0.008 0.000 0.750 213 E HN 0.335 nan 8.360 nan 0.000 0.452 214 K N 0.720 121.110 120.400 -0.018 0.000 1.985 214 K HA -0.159 4.161 4.320 -0.000 0.000 0.210 214 K C 2.335 178.917 176.600 -0.031 0.000 1.047 214 K CA 2.074 58.347 56.287 -0.023 0.000 0.932 214 K CB -0.197 32.285 32.500 -0.030 0.000 0.716 214 K HN 0.183 nan 8.250 nan 0.000 0.439 215 T N -3.017 111.508 114.554 -0.047 0.000 2.995 215 T HA 0.084 4.434 4.350 -0.000 0.000 0.269 215 T C 1.361 176.038 174.700 -0.040 0.000 1.091 215 T CA 0.842 62.908 62.100 -0.056 0.000 1.128 215 T CB -0.318 68.490 68.868 -0.101 0.000 0.891 215 T HN 0.497 nan 8.240 nan 0.000 0.492 216 G N 1.345 110.127 108.800 -0.030 0.000 2.176 216 G HA2 0.008 3.968 3.960 -0.000 0.000 0.252 216 G HA3 0.008 3.968 3.960 -0.000 0.000 0.252 216 G C 0.175 175.066 174.900 -0.014 0.000 1.024 216 G CA 0.013 45.104 45.100 -0.015 0.000 0.755 216 G HN 1.190 nan 8.290 nan 0.000 0.507 217 A N -0.724 122.077 122.820 -0.032 0.000 2.302 217 A HA 0.792 5.112 4.320 -0.000 0.000 0.285 217 A C 0.222 177.806 177.584 -0.001 0.000 1.105 217 A CA -0.312 51.709 52.037 -0.028 0.000 0.816 217 A CB 1.074 20.019 19.000 -0.090 0.000 1.067 217 A HN 1.464 nan 8.150 nan 0.000 0.489 218 L N 3.859 125.096 121.223 0.024 0.000 2.265 218 L HA 0.514 4.854 4.340 -0.000 0.000 0.288 218 L C -2.207 174.695 176.870 0.053 0.000 1.058 218 L CA -1.849 53.014 54.840 0.038 0.000 0.809 218 L CB 1.141 43.227 42.059 0.045 0.000 1.179 218 L HN 0.437 nan 8.230 nan 0.000 0.429 219 P HA 0.223 nan 4.420 nan 0.000 0.290 219 P C -1.389 175.966 177.300 0.091 0.000 1.276 219 P CA -0.603 62.549 63.100 0.087 0.000 0.808 219 P CB 1.765 33.528 31.700 0.104 0.000 0.966 220 L N 5.199 126.485 121.223 0.104 0.000 2.316 220 L HA 0.461 4.801 4.340 -0.000 0.000 0.280 220 L C -0.712 176.222 176.870 0.106 0.000 1.006 220 L CA -0.675 54.219 54.840 0.089 0.000 0.836 220 L CB 0.438 42.541 42.059 0.074 0.000 1.221 220 L HN 0.240 nan 8.230 nan 0.000 0.418 221 I N 4.378 125.009 120.570 0.102 0.000 2.304 221 I HA 0.248 4.418 4.170 -0.000 0.000 0.291 221 I C -0.310 175.855 176.117 0.081 0.000 1.018 221 I CA -0.482 60.892 61.300 0.124 0.000 1.260 221 I CB 1.225 39.294 38.000 0.115 0.000 1.390 221 I HN 0.531 nan 8.210 nan 0.000 0.475 222 D N 7.477 127.916 120.400 0.064 0.000 2.365 222 D HA 0.200 4.840 4.640 -0.000 0.000 0.237 222 D C -0.934 175.389 176.300 0.039 0.000 1.190 222 D CA -0.288 53.720 54.000 0.014 0.000 0.867 222 D CB 1.101 41.855 40.800 -0.078 0.000 1.050 222 D HN 0.227 nan 8.370 nan 0.000 0.491 223 L N 4.148 125.388 121.223 0.028 0.000 2.335 223 L HA 0.523 4.863 4.340 -0.000 0.000 0.268 223 L C 0.510 177.366 176.870 -0.022 0.000 1.037 223 L CA -0.210 54.656 54.840 0.043 0.000 0.895 223 L CB 0.955 43.042 42.059 0.047 0.000 1.266 223 L HN 0.460 nan 8.230 nan 0.000 0.439 224 A N 3.509 126.271 122.820 -0.095 0.000 2.382 224 A HA 0.256 4.576 4.320 -0.000 0.000 0.228 224 A C 0.184 177.450 177.584 -0.529 0.000 1.217 224 A CA 0.229 52.053 52.037 -0.355 0.000 0.923 224 A CB 0.083 18.718 19.000 -0.607 0.000 0.979 224 A HN 0.595 nan 8.150 nan 0.000 0.515 225 Y N 0.075 120.408 120.300 0.055 0.000 2.696 225 Y HA 0.301 4.851 4.550 -0.000 0.000 0.255 225 Y C 0.522 176.596 175.900 0.289 0.000 1.103 225 Y CA -0.745 57.434 58.100 0.130 0.000 1.126 225 Y CB 0.118 38.572 38.460 -0.009 0.000 1.197 225 Y HN 0.368 nan 8.280 nan 0.000 0.574 226 Q N 1.029 121.009 119.800 0.300 0.000 2.262 226 Q HA 0.372 4.712 4.340 -0.000 0.000 0.272 226 Q C 1.010 177.114 176.000 0.172 0.000 1.076 226 Q CA 1.252 57.181 55.803 0.210 0.000 0.905 226 Q CB 0.186 29.009 28.738 0.142 0.000 1.182 226 Q HN 0.803 nan 8.270 nan 0.000 0.390 227 G N 3.440 112.291 108.800 0.085 0.000 2.192 227 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.193 227 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.193 227 G C 0.038 174.794 174.900 -0.241 0.000 0.999 227 G CA -0.081 44.934 45.100 -0.142 0.000 0.659 227 G HN 0.653 nan 8.290 nan 0.000 0.503 228 F N 1.249 121.201 119.950 0.002 0.000 2.704 228 F HA 0.428 4.955 4.527 -0.000 0.000 0.304 228 F C 2.185 177.983 175.800 -0.003 0.000 1.094 228 F CA 0.816 58.813 58.000 -0.006 0.000 1.275 228 F CB 0.644 39.674 39.000 0.050 0.000 1.073 228 F HN 0.299 nan 8.300 nan 0.000 0.586 229 G N -0.353 108.549 108.800 0.170 0.000 2.548 229 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.221 229 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.221 229 G C 0.913 175.851 174.900 0.063 0.000 1.796 229 G CA 0.320 45.493 45.100 0.122 0.000 0.889 229 G HN 0.082 nan 8.290 nan 0.000 0.599 230 D N 0.208 120.637 120.400 0.047 0.000 2.407 230 D HA 0.345 4.985 4.640 -0.000 0.000 0.208 230 D C 1.052 177.339 176.300 -0.022 0.000 1.083 230 D CA 0.985 54.994 54.000 0.016 0.000 0.844 230 D CB 1.810 42.628 40.800 0.031 0.000 0.967 230 D HN 0.535 nan 8.370 nan 0.000 0.506 234 E N 1.328 121.505 120.200 -0.038 0.000 2.047 234 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 234 E C 1.591 178.176 176.600 -0.025 0.000 0.987 234 E CA 1.616 58.000 56.400 -0.027 0.000 0.799 234 E CB 0.133 29.815 29.700 -0.030 0.000 0.752 234 E HN 0.400 nan 8.360 nan 0.000 0.449 235 E N 1.224 121.411 120.200 -0.021 0.000 2.070 235 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 235 E C 1.659 178.263 176.600 0.005 0.000 1.004 235 E CA 1.491 57.887 56.400 -0.007 0.000 0.805 235 E CB -0.184 29.517 29.700 0.002 0.000 0.744 235 E HN 0.199 nan 8.360 nan 0.000 0.451 236 D N -0.592 119.820 120.400 0.020 0.000 2.310 236 D HA -0.046 4.594 4.640 -0.000 0.000 0.212 236 D C 1.186 177.494 176.300 0.013 0.000 0.965 236 D CA 1.107 55.138 54.000 0.052 0.000 0.879 236 D CB -0.039 40.816 40.800 0.091 0.000 0.921 236 D HN 0.225 nan 8.370 nan 0.000 0.510 237 A N 0.183 122.989 122.820 -0.023 0.000 2.308 237 A HA 0.448 4.768 4.320 -0.000 0.000 0.217 237 A C 2.118 179.623 177.584 -0.131 0.000 1.216 237 A CA 0.701 52.701 52.037 -0.063 0.000 0.864 237 A CB 0.031 19.011 19.000 -0.034 0.000 0.902 237 A HN 0.132 nan 8.150 nan 0.000 0.499 238 A N 0.255 122.997 122.820 -0.129 0.000 1.892 238 A HA 0.017 4.336 4.320 -0.000 0.000 0.218 238 A C 2.328 179.723 177.584 -0.316 0.000 1.188 238 A CA 2.100 54.041 52.037 -0.160 0.000 0.631 238 A CB -1.304 17.638 19.000 -0.098 0.000 0.822 238 A HN 0.705 nan 8.150 nan 0.000 0.447 239 G N -1.314 107.141 108.800 -0.576 0.000 2.421 239 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.216 239 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.216 239 G C 1.586 175.921 174.900 -0.942 0.000 1.171 239 G CA 1.671 45.995 45.100 -1.293 0.000 0.775 239 G HN 0.441 nan 8.290 nan 0.000 0.543 240 T N 0.827 115.008 114.554 -0.621 0.000 2.699 240 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 240 T C 2.467 177.034 174.700 -0.222 0.000 1.036 240 T CA 1.392 63.290 62.100 -0.336 0.000 1.147 240 T CB -0.173 68.590 68.868 -0.175 0.000 0.862 240 T HN 0.283 nan 8.240 nan 0.000 0.446 241 R N 0.337 120.718 120.500 -0.199 0.000 2.092 241 R HA 0.121 4.461 4.340 -0.000 0.000 0.231 241 R C 2.510 178.745 176.300 -0.108 0.000 1.119 241 R CA 0.789 56.816 56.100 -0.123 0.000 0.970 241 R CB -0.511 29.731 30.300 -0.097 0.000 0.864 241 R HN 0.331 nan 8.270 nan 0.000 0.440 242 L N 0.786 121.920 121.223 -0.148 0.000 2.046 242 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 242 L C 1.977 178.825 176.870 -0.036 0.000 1.077 242 L CA 1.238 56.032 54.840 -0.078 0.000 0.747 242 L CB -0.096 41.923 42.059 -0.067 0.000 0.896 242 L HN 0.112 nan 8.230 nan 0.000 0.432 243 I N 0.505 121.041 120.570 -0.057 0.000 2.142 243 I HA -0.242 3.928 4.170 -0.000 0.000 0.240 243 I C 2.858 178.975 176.117 0.000 0.000 1.078 243 I CA 1.541 62.847 61.300 0.010 0.000 1.343 243 I CB -1.861 36.154 38.000 0.025 0.000 1.046 243 I HN 0.328 nan 8.210 nan 0.000 0.405 244 A N 0.327 123.131 122.820 -0.027 0.000 2.024 244 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 244 A C 2.517 180.094 177.584 -0.011 0.000 1.164 244 A CA 2.139 54.165 52.037 -0.018 0.000 0.643 244 A CB -0.625 18.357 19.000 -0.031 0.000 0.806 244 A HN 0.474 nan 8.150 nan 0.000 0.451 245 S N -0.940 114.752 115.700 -0.013 0.000 2.425 245 S HA -0.008 4.462 4.470 -0.000 0.000 0.225 245 S C 1.921 176.523 174.600 0.004 0.000 1.024 245 S CA 0.990 59.186 58.200 -0.007 0.000 0.951 245 S CB -0.067 63.127 63.200 -0.010 0.000 0.796 245 S HN 0.688 nan 8.310 nan 0.000 0.498 246 R N -0.071 120.435 120.500 0.011 0.000 2.225 246 R HA 0.270 4.610 4.340 -0.000 0.000 0.194 246 R C -0.361 175.951 176.300 0.020 0.000 0.957 246 R CA 0.285 56.396 56.100 0.019 0.000 1.042 246 R CB 0.272 30.590 30.300 0.030 0.000 1.004 246 R HN 0.249 nan 8.270 nan 0.000 0.509 247 I N 2.379 122.963 120.570 0.022 0.000 2.321 247 I HA 0.215 4.385 4.170 -0.000 0.000 0.291 247 I C -1.763 174.364 176.117 0.017 0.000 0.998 247 I CA -3.041 58.272 61.300 0.023 0.000 1.227 247 I CB 0.968 38.988 38.000 0.033 0.000 1.368 247 I HN -0.250 nan 8.210 nan 0.000 0.466 248 P HA -0.108 nan 4.420 nan 0.000 0.214 248 P C -0.115 177.192 177.300 0.012 0.000 1.163 248 P CA 1.437 64.544 63.100 0.011 0.000 0.889 248 P CB 0.379 32.085 31.700 0.010 0.000 0.790 249 E N -0.476 119.734 120.200 0.016 0.000 2.145 249 E HA 0.432 4.782 4.350 -0.000 0.000 0.270 249 E C -1.189 175.426 176.600 0.025 0.000 0.906 249 E CA -0.602 55.809 56.400 0.019 0.000 0.761 249 E CB 1.944 31.655 29.700 0.019 0.000 1.116 249 E HN -0.216 nan 8.360 nan 0.000 0.408 250 V N 3.693 123.623 119.914 0.025 0.000 2.760 250 V HA 0.341 4.461 4.120 -0.000 0.000 0.309 250 V C -1.059 175.055 176.094 0.033 0.000 1.077 250 V CA -0.918 61.402 62.300 0.032 0.000 0.910 250 V CB 1.914 33.753 31.823 0.027 0.000 1.008 250 V HN 0.488 nan 8.190 nan 0.000 0.424 251 L N 5.060 126.309 121.223 0.043 0.000 2.313 251 L HA 0.651 4.991 4.340 -0.000 0.000 0.283 251 L C -0.432 176.466 176.870 0.046 0.000 1.013 251 L CA -0.154 54.713 54.840 0.044 0.000 0.816 251 L CB 1.469 43.559 42.059 0.052 0.000 1.236 251 L HN 0.483 nan 8.230 nan 0.000 0.419 252 I N 2.668 123.261 120.570 0.038 0.000 2.465 252 I HA 0.638 4.808 4.170 -0.000 0.000 0.291 252 I C -0.238 175.902 176.117 0.038 0.000 1.014 252 I CA -0.773 60.548 61.300 0.036 0.000 1.093 252 I CB 2.111 40.121 38.000 0.018 0.000 1.267 252 I HN 0.655 nan 8.210 nan 0.000 0.431 253 A N 5.294 128.140 122.820 0.042 0.000 2.399 253 A HA 0.820 5.140 4.320 -0.000 0.000 0.327 253 A C -0.120 177.480 177.584 0.026 0.000 1.367 253 A CA -0.441 51.623 52.037 0.045 0.000 0.842 253 A CB 0.584 19.620 19.000 0.062 0.000 1.142 253 A HN 0.773 nan 8.150 nan 0.000 0.495 254 A N 1.698 124.532 122.820 0.023 0.000 2.304 254 A HA 0.801 5.121 4.320 -0.000 0.000 0.301 254 A C 0.356 177.946 177.584 0.009 0.000 1.132 254 A CA -0.220 51.825 52.037 0.013 0.000 0.819 254 A CB 0.912 19.919 19.000 0.011 0.000 1.094 254 A HN 1.221 nan 8.150 nan 0.000 0.492 255 S N -0.363 115.327 115.700 -0.017 0.000 2.526 255 S HA 0.444 4.914 4.470 -0.000 0.000 0.293 255 S C -0.104 174.504 174.600 0.013 0.000 1.092 255 S CA -0.533 57.645 58.200 -0.037 0.000 0.980 255 S CB 1.120 64.235 63.200 -0.142 0.000 1.048 255 S HN 0.790 nan 8.310 nan 0.000 0.483 256 C N 2.719 122.033 119.300 0.023 0.000 3.104 256 C HA 0.295 4.755 4.460 -0.000 0.000 0.284 256 C C 2.329 177.347 174.990 0.047 0.000 1.326 256 C CA -0.279 58.810 59.018 0.117 0.000 1.725 256 C CB -1.344 26.364 27.740 -0.052 0.000 2.156 256 C HN 0.870 nan 8.230 nan 0.000 0.638 257 S N 2.177 117.819 115.700 -0.097 0.000 2.353 257 S HA -0.177 4.293 4.470 -0.000 0.000 0.222 257 S C 1.867 176.115 174.600 -0.587 0.000 1.035 257 S CA 1.685 59.714 58.200 -0.287 0.000 1.025 257 S CB -0.005 63.066 63.200 -0.214 0.000 0.902 257 S HN 0.628 nan 8.310 nan 0.000 0.440 258 K N 2.079 122.264 120.400 -0.358 0.000 2.056 258 K HA 0.088 4.408 4.320 -0.000 0.000 0.205 258 K C 1.760 178.525 176.600 0.275 0.000 1.035 258 K CA 1.087 57.259 56.287 -0.191 0.000 0.955 258 K CB -0.528 31.816 32.500 -0.259 0.000 0.769 258 K HN 0.362 nan 8.250 nan 0.000 0.447 259 N N 0.368 119.339 118.700 0.451 0.000 2.513 259 N HA -0.164 4.576 4.740 -0.000 0.000 0.187 259 N C 0.788 176.388 175.510 0.150 0.000 1.056 259 N CA 1.331 54.572 53.050 0.320 0.000 0.907 259 N CB -0.296 38.352 38.487 0.269 0.000 0.954 259 N HN 0.181 nan 8.380 nan 0.000 0.445 260 F N -1.015 119.034 119.950 0.166 0.000 2.728 260 F HA 0.398 4.925 4.527 -0.000 0.000 0.314 260 F C 1.601 177.420 175.800 0.033 0.000 1.094 260 F CA 0.114 58.164 58.000 0.083 0.000 1.217 260 F CB 0.374 39.300 39.000 -0.124 0.000 1.056 260 F HN 0.151 nan 8.300 nan 0.000 0.577 261 G N 2.415 111.267 108.800 0.087 0.000 2.273 261 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.280 261 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.280 261 G C 0.452 175.394 174.900 0.070 0.000 1.047 261 G CA 0.638 45.755 45.100 0.029 0.000 0.869 261 G HN 0.622 nan 8.290 nan 0.000 0.502 262 I N -3.906 116.633 120.570 -0.052 0.000 3.283 262 I HA 0.426 4.596 4.170 -0.000 0.000 0.342 262 I C 1.557 177.700 176.117 0.043 0.000 1.510 262 I CA -1.287 60.044 61.300 0.052 0.000 1.006 262 I CB -0.286 37.725 38.000 0.018 0.000 1.596 262 I HN 0.016 nan 8.210 nan 0.000 0.509 263 Y N 2.714 123.067 120.300 0.090 0.000 1.967 263 Y HA -0.359 4.191 4.550 -0.000 0.000 0.260 263 Y C 2.882 178.808 175.900 0.043 0.000 1.181 263 Y CA 2.707 60.847 58.100 0.066 0.000 1.097 263 Y CB -0.811 37.697 38.460 0.079 0.000 0.934 263 Y HN 0.442 nan 8.280 nan 0.000 0.492 264 R N 0.467 121.112 120.500 0.242 0.000 2.293 264 R HA -0.109 4.231 4.340 -0.000 0.000 0.219 264 R C 1.337 177.679 176.300 0.069 0.000 1.091 264 R CA 1.464 57.639 56.100 0.126 0.000 1.004 264 R CB -0.431 29.929 30.300 0.100 0.000 0.865 264 R HN 0.322 nan 8.270 nan 0.000 0.469 265 E N 1.296 121.535 120.200 0.064 0.000 2.274 265 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 265 E C -0.067 176.524 176.600 -0.014 0.000 0.996 265 E CA 0.290 56.706 56.400 0.027 0.000 0.840 265 E CB 0.018 29.734 29.700 0.027 0.000 0.772 265 E HN 0.206 nan 8.360 nan 0.000 0.491 266 R N 0.377 120.870 120.500 -0.010 0.000 3.144 266 R HA -0.093 4.247 4.340 -0.000 0.000 0.255 266 R C -0.794 175.464 176.300 -0.071 0.000 0.949 266 R CA 0.457 56.538 56.100 -0.032 0.000 0.649 266 R CB -3.282 26.990 30.300 -0.046 0.000 1.229 266 R HN 0.013 nan 8.270 nan 0.000 0.440 267 T N -0.192 114.316 114.554 -0.077 0.000 2.792 267 T HA 0.800 5.150 4.350 -0.000 0.000 0.280 267 T C 0.650 175.337 174.700 -0.022 0.000 0.990 267 T CA 0.142 62.176 62.100 -0.111 0.000 0.960 267 T CB 2.240 70.989 68.868 -0.198 0.000 0.939 267 T HN 0.604 nan 8.240 nan 0.000 0.439 268 G N 0.439 109.267 108.800 0.047 0.000 2.548 268 G HA2 0.644 4.604 3.960 -0.000 0.000 0.301 268 G HA3 0.644 4.604 3.960 -0.000 0.000 0.301 268 G C -1.299 173.714 174.900 0.189 0.000 1.349 268 G CA -0.344 44.819 45.100 0.105 0.000 0.792 268 G HN 1.234 nan 8.290 nan 0.000 0.481 269 C N -0.800 118.582 119.300 0.138 0.000 3.241 269 C HA 0.797 5.257 4.460 -0.000 0.000 0.348 269 C C -1.005 174.032 174.990 0.078 0.000 1.180 269 C CA -1.003 58.098 59.018 0.139 0.000 1.273 269 C CB 0.797 28.620 27.740 0.139 0.000 1.620 269 C HN 1.031 nan 8.230 nan 0.000 0.510 270 L N 3.011 124.283 121.223 0.081 0.000 2.282 270 L HA 0.671 5.011 4.340 -0.000 0.000 0.288 270 L C -1.038 175.858 176.870 0.043 0.000 1.033 270 L CA -0.680 54.197 54.840 0.063 0.000 0.807 270 L CB 1.214 43.317 42.059 0.074 0.000 1.209 270 L HN 0.820 nan 8.230 nan 0.000 0.423 271 L N 5.071 126.310 121.223 0.028 0.000 2.313 271 L HA 0.575 4.914 4.340 -0.000 0.000 0.283 271 L C -0.097 176.785 176.870 0.021 0.000 1.013 271 L CA -0.460 54.388 54.840 0.014 0.000 0.816 271 L CB 1.798 43.855 42.059 -0.004 0.000 1.236 271 L HN 0.683 nan 8.230 nan 0.000 0.419 272 A N 4.965 127.797 122.820 0.020 0.000 2.293 272 A HA 0.658 4.978 4.320 -0.000 0.000 0.312 272 A C -0.897 176.696 177.584 0.014 0.000 1.309 272 A CA -0.497 51.553 52.037 0.022 0.000 0.839 272 A CB 0.510 19.526 19.000 0.026 0.000 1.155 272 A HN 0.494 nan 8.150 nan 0.000 0.501 273 L N 2.604 123.835 121.223 0.013 0.000 2.265 273 L HA 0.406 4.746 4.340 -0.000 0.000 0.288 273 L C -0.099 176.778 176.870 0.011 0.000 1.058 273 L CA 0.283 55.128 54.840 0.009 0.000 0.809 273 L CB 0.631 42.694 42.059 0.006 0.000 1.179 273 L HN 0.720 nan 8.230 nan 0.000 0.429 274 C N 1.258 120.563 119.300 0.008 0.000 2.470 274 C HA 0.664 5.124 4.460 -0.000 0.000 0.341 274 C C 1.684 176.678 174.990 0.006 0.000 1.190 274 C CA -0.562 58.461 59.018 0.008 0.000 1.904 274 C CB 1.424 29.168 27.740 0.007 0.000 2.354 274 C HN 0.957 nan 8.230 nan 0.000 0.509 275 A N 0.614 123.437 122.820 0.006 0.000 2.015 275 A HA 0.095 4.415 4.320 -0.000 0.000 0.219 275 A C 0.400 177.986 177.584 0.003 0.000 1.163 275 A CA 1.810 53.850 52.037 0.005 0.000 0.646 275 A CB -0.450 18.553 19.000 0.005 0.000 0.806 275 A HN 1.015 nan 8.150 nan 0.000 0.448 276 D N -5.037 115.365 120.400 0.003 0.000 2.615 276 D HA 0.581 5.221 4.640 -0.000 0.000 0.267 276 D C 0.484 176.785 176.300 0.002 0.000 1.236 276 D CA -0.082 53.919 54.000 0.002 0.000 0.839 276 D CB 0.906 41.707 40.800 0.001 0.000 1.380 276 D HN 0.004 nan 8.370 nan 0.000 0.433 277 A N 0.604 123.425 122.820 0.001 0.000 1.883 277 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 277 A C 2.210 179.795 177.584 0.001 0.000 1.186 277 A CA 2.612 54.650 52.037 0.001 0.000 0.624 277 A CB -1.457 17.544 19.000 0.001 0.000 0.822 277 A HN 0.814 nan 8.150 nan 0.000 0.444 278 A N -0.938 121.882 122.820 -0.001 0.000 1.917 278 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 278 A C 2.317 179.899 177.584 -0.003 0.000 1.182 278 A CA 2.537 54.572 52.037 -0.003 0.000 0.633 278 A CB -1.393 17.605 19.000 -0.004 0.000 0.819 278 A HN 0.468 nan 8.150 nan 0.000 0.448 279 T N -0.669 113.884 114.554 -0.002 0.000 2.777 279 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 279 T C 2.100 176.800 174.700 0.001 0.000 1.040 279 T CA 1.212 63.311 62.100 -0.001 0.000 1.141 279 T CB -0.266 68.602 68.868 0.001 0.000 0.868 279 T HN 0.495 nan 8.240 nan 0.000 0.444 280 R N 1.386 121.888 120.500 0.003 0.000 2.091 280 R HA -0.120 4.220 4.340 -0.000 0.000 0.238 280 R C 1.908 178.212 176.300 0.006 0.000 1.136 280 R CA 1.471 57.574 56.100 0.005 0.000 0.959 280 R CB -0.310 29.993 30.300 0.005 0.000 0.856 280 R HN 0.366 nan 8.270 nan 0.000 0.437 281 E N 0.612 120.814 120.200 0.003 0.000 2.150 281 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 281 E C 2.008 178.607 176.600 -0.002 0.000 0.985 281 E CA 0.577 56.979 56.400 0.003 0.000 0.814 281 E CB -0.210 29.490 29.700 0.001 0.000 0.752 281 E HN 0.200 nan 8.360 nan 0.000 0.466 282 L N 0.725 121.944 121.223 -0.006 0.000 2.093 282 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 282 L C 2.193 179.057 176.870 -0.010 0.000 1.085 282 L CA 1.544 56.376 54.840 -0.015 0.000 0.755 282 L CB -0.605 41.444 42.059 -0.017 0.000 0.904 282 L HN 0.015 nan 8.230 nan 0.000 0.435 283 A N -1.498 121.322 122.820 0.001 0.000 1.897 283 A HA -0.208 4.111 4.320 -0.000 0.000 0.215 283 A C 2.222 179.818 177.584 0.019 0.000 1.181 283 A CA 1.369 53.412 52.037 0.010 0.000 0.620 283 A CB -0.500 18.508 19.000 0.014 0.000 0.821 283 A HN 0.452 nan 8.150 nan 0.000 0.443 284 Q N 0.135 119.946 119.800 0.018 0.000 2.084 284 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 284 Q C 1.915 177.933 176.000 0.030 0.000 0.978 284 Q CA 2.159 57.978 55.803 0.026 0.000 0.844 284 Q CB -0.967 27.785 28.738 0.023 0.000 0.898 284 Q HN 0.486 nan 8.270 nan 0.000 0.426 285 G N -0.186 108.625 108.800 0.018 0.000 2.418 285 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 285 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 285 G C 1.473 176.396 174.900 0.039 0.000 1.158 285 G CA 0.915 46.026 45.100 0.019 0.000 0.771 285 G HN 0.521 nan 8.290 nan 0.000 0.545 286 A N 0.442 123.273 122.820 0.019 0.000 1.933 286 A HA 0.073 4.393 4.320 -0.000 0.000 0.218 286 A C 2.453 180.108 177.584 0.117 0.000 1.175 286 A CA 1.732 53.791 52.037 0.038 0.000 0.628 286 A CB -0.318 18.682 19.000 -0.000 0.000 0.814 286 A HN 0.395 nan 8.150 nan 0.000 0.444 287 M N -0.586 119.060 119.600 0.077 0.000 2.099 287 M HA -0.107 4.373 4.480 -0.000 0.000 0.262 287 M C 2.543 178.877 176.300 0.056 0.000 1.067 287 M CA 1.472 56.813 55.300 0.068 0.000 1.124 287 M CB -0.387 32.246 32.600 0.054 0.000 1.353 287 M HN 0.441 nan 8.290 nan 0.000 0.410 288 A N -0.099 122.753 122.820 0.054 0.000 1.978 288 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 288 A C 2.015 179.600 177.584 0.002 0.000 1.170 288 A CA 1.404 53.450 52.037 0.015 0.000 0.636 288 A CB -1.035 17.977 19.000 0.020 0.000 0.810 288 A HN 0.541 nan 8.150 nan 0.000 0.448 289 F N 0.005 119.903 119.950 -0.086 0.000 2.134 289 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 289 F C 1.791 177.518 175.800 -0.121 0.000 1.097 289 F CA 1.501 59.443 58.000 -0.097 0.000 1.264 289 F CB -0.229 38.731 39.000 -0.066 0.000 1.001 289 F HN 0.160 nan 8.300 nan 0.000 0.479 290 L N 0.838 122.053 121.223 -0.013 0.000 2.046 290 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 290 L C 2.146 178.826 176.870 -0.317 0.000 1.077 290 L CA 1.636 56.395 54.840 -0.134 0.000 0.747 290 L CB -1.490 40.567 42.059 -0.003 0.000 0.896 290 L HN 0.134 nan 8.230 nan 0.000 0.432 291 N N -0.657 117.858 118.700 -0.308 0.000 2.058 291 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 291 N C 1.982 177.133 175.510 -0.598 0.000 1.037 291 N CA 1.180 53.917 53.050 -0.522 0.000 0.848 291 N CB -0.268 38.064 38.487 -0.258 0.000 1.021 291 N HN 0.234 nan 8.380 nan 0.000 0.422 292 R N 0.660 120.889 120.500 -0.451 0.000 2.096 292 R HA -0.142 4.198 4.340 -0.000 0.000 0.240 292 R C 1.180 177.215 176.300 -0.442 0.000 1.139 292 R CA 1.433 57.265 56.100 -0.446 0.000 0.952 292 R CB -0.016 30.050 30.300 -0.390 0.000 0.854 292 R HN 0.247 nan 8.270 nan 0.000 0.436 293 Q N -0.622 118.860 119.800 -0.530 0.000 2.435 293 Q HA -0.006 4.334 4.340 -0.000 0.000 0.207 293 Q C 1.484 177.289 176.000 -0.324 0.000 0.956 293 Q CA 1.293 56.823 55.803 -0.455 0.000 0.917 293 Q CB 0.521 28.898 28.738 -0.602 0.000 0.997 293 Q HN 0.429 nan 8.270 nan 0.000 0.497 294 T N -0.551 113.760 114.554 -0.405 0.000 3.044 294 T HA 0.011 4.361 4.350 -0.000 0.000 0.237 294 T C 0.661 175.250 174.700 -0.185 0.000 1.001 294 T CA 0.903 62.811 62.100 -0.319 0.000 1.160 294 T CB 0.060 68.665 68.868 -0.438 0.000 0.889 294 T HN 0.437 nan 8.240 nan 0.000 0.442 295 Y N -0.717 119.546 120.300 -0.061 0.000 2.957 295 Y HA 0.672 5.222 4.550 -0.000 0.000 0.274 295 Y C 0.726 176.607 175.900 -0.031 0.000 1.065 295 Y CA -0.406 57.679 58.100 -0.025 0.000 1.273 295 Y CB -0.314 38.150 38.460 0.006 0.000 1.358 295 Y HN 0.157 nan 8.280 nan 0.000 0.585 296 S N 0.360 115.963 115.700 -0.162 0.000 4.141 296 S HA -0.272 4.198 4.470 -0.000 0.000 0.622 296 S C -0.140 174.355 174.600 -0.174 0.000 1.894 296 S CA 1.093 59.147 58.200 -0.244 0.000 4.238 296 S CB -1.670 61.462 63.200 -0.114 0.000 0.205 296 S HN 0.429 nan 8.310 nan 0.000 0.486 297 F N 5.082 125.106 119.950 0.123 0.000 2.418 297 F HA 0.517 5.044 4.527 -0.000 0.000 0.341 297 F C -1.254 174.706 175.800 0.266 0.000 1.120 297 F CA -0.904 57.196 58.000 0.166 0.000 1.232 297 F CB 0.217 39.307 39.000 0.150 0.000 1.175 297 F HN 0.320 nan 8.300 nan 0.000 0.569 298 P HA 0.262 nan 4.420 nan 0.000 0.281 298 P C -2.709 174.675 177.300 0.140 0.000 1.264 298 P CA -1.925 61.315 63.100 0.232 0.000 0.824 298 P CB 0.361 32.184 31.700 0.205 0.000 1.092 299 P HA 0.070 nan 4.420 nan 0.000 0.262 299 P C 0.336 177.657 177.300 0.035 0.000 1.199 299 P CA 0.160 63.274 63.100 0.024 0.000 0.763 299 P CB -0.053 31.616 31.700 -0.052 0.000 0.790 300 F N 3.643 123.556 119.950 -0.062 0.000 2.149 300 F HA -0.114 4.413 4.527 -0.000 0.000 0.294 300 F C 2.382 178.105 175.800 -0.128 0.000 1.095 300 F CA 1.408 59.348 58.000 -0.101 0.000 1.276 300 F CB -0.501 38.462 39.000 -0.061 0.000 1.023 300 F HN 0.401 nan 8.300 nan 0.000 0.480 301 H N -0.139 118.925 119.070 -0.009 0.000 2.260 301 H HA -0.209 4.347 4.556 -0.000 0.000 0.288 301 H C 2.468 177.616 175.328 -0.301 0.000 1.094 301 H CA 2.494 58.462 56.048 -0.133 0.000 1.197 301 H CB -1.027 28.715 29.762 -0.033 0.000 1.346 301 H HN 0.368 nan 8.280 nan 0.000 0.486 302 G N -0.547 108.122 108.800 -0.218 0.000 2.446 302 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 302 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 302 G C 1.890 176.478 174.900 -0.519 0.000 1.168 302 G CA 1.166 46.079 45.100 -0.312 0.000 0.771 302 G HN 0.655 nan 8.290 nan 0.000 0.551 303 A N 0.308 122.722 122.820 -0.676 0.000 2.024 303 A HA -0.022 4.298 4.320 -0.000 0.000 0.220 303 A C 2.193 179.291 177.584 -0.810 0.000 1.164 303 A CA 2.343 53.736 52.037 -1.073 0.000 0.643 303 A CB -0.278 17.894 19.000 -1.380 0.000 0.806 303 A HN 0.371 nan 8.150 nan 0.000 0.451 304 K N -0.154 119.744 120.400 -0.837 0.000 2.262 304 K HA 0.212 4.532 4.320 -0.000 0.000 0.200 304 K C 1.493 177.793 176.600 -0.502 0.000 1.049 304 K CA 0.772 56.613 56.287 -0.744 0.000 0.979 304 K CB -0.390 31.472 32.500 -1.065 0.000 0.773 304 K HN 0.478 nan 8.250 nan 0.000 0.474 305 I N -0.151 120.106 120.570 -0.523 0.000 2.202 305 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 305 I C 1.862 177.756 176.117 -0.372 0.000 1.091 305 I CA 0.834 61.899 61.300 -0.392 0.000 1.368 305 I CB -0.169 37.621 38.000 -0.350 0.000 1.058 305 I HN -0.101 nan 8.210 nan 0.000 0.410 306 V N 0.910 120.524 119.914 -0.499 0.000 2.255 306 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 306 V C 2.633 178.524 176.094 -0.338 0.000 1.051 306 V CA 2.377 64.283 62.300 -0.656 0.000 1.018 306 V CB -0.970 30.441 31.823 -0.687 0.000 0.641 306 V HN 0.614 nan 8.190 nan 0.000 0.445 307 S N -0.776 114.824 115.700 -0.166 0.000 2.423 307 S HA -0.195 4.275 4.470 -0.000 0.000 0.231 307 S C 1.847 176.387 174.600 -0.099 0.000 1.014 307 S CA 1.774 59.925 58.200 -0.082 0.000 0.965 307 S CB -0.680 62.518 63.200 -0.003 0.000 0.785 307 S HN 0.589 nan 8.310 nan 0.000 0.495 308 T N 2.097 116.570 114.554 -0.136 0.000 2.857 308 T HA 0.056 4.406 4.350 -0.000 0.000 0.266 308 T C 1.885 176.548 174.700 -0.062 0.000 1.048 308 T CA 1.217 63.261 62.100 -0.094 0.000 1.139 308 T CB -0.402 68.398 68.868 -0.113 0.000 0.874 308 T HN 0.307 nan 8.240 nan 0.000 0.455 309 V N 1.443 121.307 119.914 -0.083 0.000 2.270 309 V HA -0.071 4.049 4.120 -0.000 0.000 0.245 309 V C 2.399 178.496 176.094 0.004 0.000 1.043 309 V CA 1.180 63.464 62.300 -0.027 0.000 1.014 309 V CB -0.598 31.199 31.823 -0.044 0.000 0.645 309 V HN 0.308 nan 8.190 nan 0.000 0.447 310 L N 0.958 122.160 121.223 -0.036 0.000 2.191 310 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 310 L C 2.630 179.508 176.870 0.014 0.000 1.103 310 L CA 2.565 57.407 54.840 0.004 0.000 0.769 310 L CB -1.393 40.645 42.059 -0.035 0.000 0.908 310 L HN 0.673 nan 8.230 nan 0.000 0.438 311 T N -6.474 108.077 114.554 -0.005 0.000 3.051 311 T HA 0.028 4.378 4.350 -0.000 0.000 0.255 311 T C 0.946 175.653 174.700 0.012 0.000 1.085 311 T CA 0.199 62.300 62.100 0.001 0.000 1.109 311 T CB -0.356 68.507 68.868 -0.008 0.000 0.921 311 T HN 0.129 nan 8.240 nan 0.000 0.488 312 T N 4.041 118.605 114.554 0.015 0.000 2.811 312 T HA 0.327 4.677 4.350 -0.000 0.000 0.309 312 T C -1.888 172.835 174.700 0.039 0.000 1.005 312 T CA -1.182 60.931 62.100 0.023 0.000 0.955 312 T CB 1.409 70.288 68.868 0.018 0.000 0.970 312 T HN 0.046 nan 8.240 nan 0.000 0.496 313 P HA -0.205 nan 4.420 nan 0.000 0.217 313 P C 1.260 178.588 177.300 0.047 0.000 1.158 313 P CA 1.292 64.416 63.100 0.041 0.000 0.887 313 P CB 0.266 31.983 31.700 0.028 0.000 0.792 314 E N -1.204 119.020 120.200 0.040 0.000 2.077 314 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 314 E C 1.870 178.506 176.600 0.059 0.000 0.989 314 E CA 1.052 57.477 56.400 0.041 0.000 0.800 314 E CB -0.990 28.730 29.700 0.034 0.000 0.746 314 E HN 0.122 nan 8.360 nan 0.000 0.452 315 L N 0.367 121.631 121.223 0.068 0.000 2.072 315 L HA -0.030 4.309 4.340 -0.000 0.000 0.205 315 L C 2.355 179.318 176.870 0.156 0.000 1.079 315 L CA 1.513 56.411 54.840 0.096 0.000 0.752 315 L CB -0.654 41.448 42.059 0.072 0.000 0.906 315 L HN 0.027 nan 8.230 nan 0.000 0.436 316 R N -0.433 120.157 120.500 0.151 0.000 2.096 316 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 316 R C 2.170 178.595 176.300 0.208 0.000 1.127 316 R CA 1.401 57.644 56.100 0.237 0.000 0.968 316 R CB -0.133 30.270 30.300 0.173 0.000 0.861 316 R HN 0.349 nan 8.270 nan 0.000 0.440 317 A N 0.624 123.509 122.820 0.109 0.000 1.873 317 A HA -0.206 4.114 4.320 -0.000 0.000 0.215 317 A C 1.800 179.401 177.584 0.028 0.000 1.186 317 A CA 1.894 53.959 52.037 0.047 0.000 0.616 317 A CB -0.625 18.392 19.000 0.029 0.000 0.823 317 A HN 0.481 nan 8.150 nan 0.000 0.442 318 D N -2.079 118.358 120.400 0.063 0.000 2.224 318 D HA -0.151 4.489 4.640 -0.000 0.000 0.205 318 D C 1.556 177.890 176.300 0.056 0.000 0.965 318 D CA 1.213 55.240 54.000 0.046 0.000 0.852 318 D CB -0.219 40.619 40.800 0.063 0.000 0.947 318 D HN 0.620 nan 8.370 nan 0.000 0.494 319 W N 0.674 121.939 121.300 -0.058 0.000 2.407 319 W HA -0.034 4.625 4.660 -0.000 0.000 0.305 319 W C 2.013 178.434 176.519 -0.163 0.000 1.196 319 W CA 1.225 58.505 57.345 -0.108 0.000 1.311 319 W CB -0.490 28.909 29.460 -0.103 0.000 1.135 319 W HN -0.096 nan 8.180 nan 0.000 0.514 320 M N 0.652 119.971 119.600 -0.468 0.000 2.149 320 M HA -0.173 4.306 4.480 -0.000 0.000 0.261 320 M C 2.308 178.328 176.300 -0.466 0.000 1.064 320 M CA 2.038 56.930 55.300 -0.679 0.000 1.102 320 M CB -0.909 31.474 32.600 -0.363 0.000 1.369 320 M HN 0.169 nan 8.290 nan 0.000 0.408 321 A N 0.112 122.768 122.820 -0.274 0.000 1.877 321 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 321 A C 1.982 179.430 177.584 -0.227 0.000 1.186 321 A CA 2.032 53.949 52.037 -0.200 0.000 0.620 321 A CB -0.764 18.169 19.000 -0.113 0.000 0.822 321 A HN 0.554 nan 8.150 nan 0.000 0.443 322 E N -0.380 119.681 120.200 -0.231 0.000 2.072 322 E HA -0.138 4.211 4.350 -0.000 0.000 0.191 322 E C 1.991 178.395 176.600 -0.327 0.000 0.985 322 E CA 0.912 57.185 56.400 -0.211 0.000 0.801 322 E CB -0.202 29.425 29.700 -0.122 0.000 0.750 322 E HN 0.569 nan 8.360 nan 0.000 0.452 323 L N 0.796 121.703 121.223 -0.526 0.000 2.012 323 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 323 L C 2.548 179.112 176.870 -0.511 0.000 1.073 323 L CA 1.705 56.160 54.840 -0.643 0.000 0.748 323 L CB -0.245 41.243 42.059 -0.952 0.000 0.891 323 L HN 0.223 nan 8.230 nan 0.000 0.431 324 E N -0.007 119.936 120.200 -0.428 0.000 2.160 324 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 324 E C 1.958 178.424 176.600 -0.224 0.000 0.991 324 E CA 1.418 57.638 56.400 -0.301 0.000 0.810 324 E CB -0.060 29.492 29.700 -0.246 0.000 0.742 324 E HN 0.485 nan 8.360 nan 0.000 0.466 325 A N -0.184 122.511 122.820 -0.209 0.000 1.877 325 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 325 A C 2.478 179.980 177.584 -0.137 0.000 1.186 325 A CA 1.623 53.576 52.037 -0.139 0.000 0.620 325 A CB -0.828 18.104 19.000 -0.113 0.000 0.822 325 A HN 0.183 nan 8.150 nan 0.000 0.443 326 V N 0.122 119.904 119.914 -0.219 0.000 2.255 326 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 326 V C 2.662 178.656 176.094 -0.167 0.000 1.051 326 V CA 2.437 64.589 62.300 -0.247 0.000 1.018 326 V CB -0.846 30.670 31.823 -0.513 0.000 0.641 326 V HN 0.646 nan 8.190 nan 0.000 0.445 327 R N 0.006 120.366 120.500 -0.233 0.000 2.094 327 R HA -0.187 4.153 4.340 -0.000 0.000 0.239 327 R C 2.526 178.788 176.300 -0.063 0.000 1.137 327 R CA 2.155 58.170 56.100 -0.142 0.000 0.943 327 R CB -0.406 29.780 30.300 -0.189 0.000 0.850 327 R HN 0.528 nan 8.270 nan 0.000 0.433 328 S N -0.459 115.195 115.700 -0.076 0.000 2.382 328 S HA -0.093 4.377 4.470 -0.000 0.000 0.228 328 S C 1.827 176.418 174.600 -0.014 0.000 1.027 328 S CA 1.133 59.307 58.200 -0.043 0.000 0.991 328 S CB -0.361 62.807 63.200 -0.053 0.000 0.823 328 S HN 0.673 nan 8.310 nan 0.000 0.469 329 G N 1.740 110.536 108.800 -0.006 0.000 2.421 329 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 329 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 329 G C 1.379 176.307 174.900 0.048 0.000 1.171 329 G CA 0.849 45.966 45.100 0.029 0.000 0.775 329 G HN 0.408 nan 8.290 nan 0.000 0.543 330 M N -0.195 119.444 119.600 0.066 0.000 2.159 330 M HA 0.090 4.570 4.480 -0.000 0.000 0.263 330 M C 2.577 178.905 176.300 0.047 0.000 1.063 330 M CA 0.844 56.190 55.300 0.077 0.000 1.110 330 M CB -0.361 32.305 32.600 0.110 0.000 1.374 330 M HN 0.169 nan 8.290 nan 0.000 0.411 331 L N 0.042 121.284 121.223 0.032 0.000 2.027 331 L HA -0.218 4.122 4.340 -0.000 0.000 0.206 331 L C 2.679 179.558 176.870 0.014 0.000 1.074 331 L CA 1.477 56.332 54.840 0.025 0.000 0.745 331 L CB -0.265 41.803 42.059 0.014 0.000 0.898 331 L HN 0.262 nan 8.230 nan 0.000 0.433 332 R N -0.847 119.659 120.500 0.009 0.000 2.105 332 R HA -0.197 4.142 4.340 -0.000 0.000 0.239 332 R C 2.073 178.374 176.300 0.001 0.000 1.135 332 R CA 1.037 57.138 56.100 0.003 0.000 0.967 332 R CB -0.414 29.887 30.300 0.002 0.000 0.861 332 R HN 0.204 nan 8.270 nan 0.000 0.442 333 L N 0.907 122.135 121.223 0.009 0.000 2.046 333 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 333 L C 2.327 179.194 176.870 -0.006 0.000 1.077 333 L CA 1.681 56.523 54.840 0.003 0.000 0.747 333 L CB -0.501 41.567 42.059 0.016 0.000 0.896 333 L HN 0.074 nan 8.230 nan 0.000 0.432 334 R N -0.620 119.881 120.500 0.002 0.000 2.073 334 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 334 R C 2.114 178.397 176.300 -0.029 0.000 1.134 334 R CA 1.508 57.603 56.100 -0.008 0.000 0.952 334 R CB -0.329 29.981 30.300 0.017 0.000 0.850 334 R HN 0.485 nan 8.270 nan 0.000 0.433 335 E N 0.680 120.870 120.200 -0.018 0.000 2.058 335 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 335 E C 2.188 178.768 176.600 -0.033 0.000 0.997 335 E CA 1.314 57.700 56.400 -0.024 0.000 0.801 335 E CB -0.074 29.618 29.700 -0.013 0.000 0.746 335 E HN 0.406 nan 8.360 nan 0.000 0.450 336 Q N 0.388 120.170 119.800 -0.029 0.000 2.002 336 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 336 Q C 2.425 178.395 176.000 -0.051 0.000 0.988 336 Q CA 1.261 57.044 55.803 -0.034 0.000 0.843 336 Q CB -0.304 28.418 28.738 -0.026 0.000 0.908 336 Q HN 0.186 nan 8.270 nan 0.000 0.420 337 L N 0.917 122.104 121.223 -0.060 0.000 1.990 337 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 337 L C 2.202 179.003 176.870 -0.115 0.000 1.072 337 L CA 2.409 57.195 54.840 -0.090 0.000 0.755 337 L CB -0.962 41.042 42.059 -0.091 0.000 0.889 337 L HN 0.185 nan 8.230 nan 0.000 0.432 338 A N -0.708 122.046 122.820 -0.109 0.000 1.933 338 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 338 A C 2.342 179.882 177.584 -0.072 0.000 1.175 338 A CA 1.633 53.602 52.037 -0.113 0.000 0.628 338 A CB -1.592 17.340 19.000 -0.112 0.000 0.814 338 A HN 0.580 nan 8.150 nan 0.000 0.444 339 G N -0.421 108.345 108.800 -0.058 0.000 2.421 339 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 339 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 339 G C 1.449 176.323 174.900 -0.043 0.000 1.171 339 G CA 1.293 46.369 45.100 -0.040 0.000 0.775 339 G HN 0.600 nan 8.290 nan 0.000 0.543 340 E N 0.318 120.483 120.200 -0.058 0.000 2.085 340 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 340 E C 2.452 179.007 176.600 -0.075 0.000 0.994 340 E CA 0.787 57.148 56.400 -0.064 0.000 0.801 340 E CB -0.428 29.224 29.700 -0.078 0.000 0.743 340 E HN 0.426 nan 8.360 nan 0.000 0.453 341 L N -0.030 121.131 121.223 -0.103 0.000 2.191 341 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 341 L C 2.614 179.487 176.870 0.004 0.000 1.103 341 L CA 1.138 55.911 54.840 -0.112 0.000 0.769 341 L CB -0.248 41.686 42.059 -0.207 0.000 0.908 341 L HN 0.097 nan 8.230 nan 0.000 0.438 342 R N 0.290 120.793 120.500 0.005 0.000 2.090 342 R HA -0.135 4.205 4.340 -0.000 0.000 0.228 342 R C 1.758 178.067 176.300 0.016 0.000 1.110 342 R CA 1.523 57.637 56.100 0.024 0.000 0.973 342 R CB -0.292 30.011 30.300 0.005 0.000 0.869 342 R HN 0.263 nan 8.270 nan 0.000 0.440 343 D N 0.060 120.459 120.400 -0.003 0.000 2.097 343 D HA -0.118 4.522 4.640 -0.000 0.000 0.197 343 D C 1.717 178.018 176.300 0.001 0.000 0.984 343 D CA 0.890 54.888 54.000 -0.003 0.000 0.826 343 D CB -0.151 40.642 40.800 -0.013 0.000 0.973 343 D HN 0.140 nan 8.370 nan 0.000 0.460 344 L N 0.937 122.154 121.223 -0.010 0.000 2.191 344 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 344 L C 2.138 179.020 176.870 0.021 0.000 1.103 344 L CA 1.477 56.311 54.840 -0.010 0.000 0.769 344 L CB -0.931 41.100 42.059 -0.047 0.000 0.908 344 L HN 0.118 nan 8.230 nan 0.000 0.438 345 S N -2.415 113.315 115.700 0.050 0.000 2.524 345 S HA 0.198 4.668 4.470 -0.000 0.000 0.222 345 S C 1.492 176.128 174.600 0.060 0.000 1.040 345 S CA 0.452 58.703 58.200 0.085 0.000 0.915 345 S CB 0.727 64.037 63.200 0.183 0.000 0.831 345 S HN 0.393 nan 8.310 nan 0.000 0.492 346 G N 1.644 110.470 108.800 0.044 0.000 2.198 346 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.260 346 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.260 346 G C 0.111 175.027 174.900 0.026 0.000 1.025 346 G CA 0.608 45.725 45.100 0.028 0.000 0.769 346 G HN 1.557 nan 8.290 nan 0.000 0.507 347 S N -1.779 113.943 115.700 0.037 0.000 2.732 347 S HA 0.708 5.178 4.470 -0.000 0.000 0.293 347 S C 0.870 175.478 174.600 0.014 0.000 1.159 347 S CA 0.262 58.473 58.200 0.018 0.000 0.847 347 S CB 1.794 64.998 63.200 0.007 0.000 1.169 347 S HN 0.372 nan 8.310 nan 0.000 0.501 348 D N 0.627 121.021 120.400 -0.011 0.000 2.137 348 D HA -0.133 4.507 4.640 -0.000 0.000 0.202 348 D C 1.517 177.791 176.300 -0.043 0.000 0.970 348 D CA 0.324 54.313 54.000 -0.017 0.000 0.837 348 D CB -0.465 40.324 40.800 -0.018 0.000 0.981 348 D HN 0.585 nan 8.370 nan 0.000 0.475 349 R N 0.049 120.486 120.500 -0.105 0.000 2.409 349 R HA -0.262 4.078 4.340 -0.000 0.000 0.215 349 R C 1.875 178.004 176.300 -0.284 0.000 0.981 349 R CA 2.384 58.328 56.100 -0.260 0.000 0.691 349 R CB -1.249 28.748 30.300 -0.504 0.000 0.897 349 R HN 0.311 nan 8.270 nan 0.000 0.353 350 F N 0.104 120.020 119.950 -0.055 0.000 2.693 350 F HA 0.187 4.714 4.527 -0.000 0.000 0.303 350 F C 2.094 177.542 175.800 -0.587 0.000 1.143 350 F CA 0.384 58.140 58.000 -0.407 0.000 1.389 350 F CB -0.023 38.775 39.000 -0.337 0.000 1.060 350 F HN 0.175 nan 8.300 nan 0.000 0.535 351 G N 0.563 109.263 108.800 -0.166 0.000 2.470 351 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.220 351 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.220 351 G C 1.571 176.377 174.900 -0.155 0.000 1.121 351 G CA 0.732 45.758 45.100 -0.124 0.000 0.766 351 G HN 0.509 nan 8.290 nan 0.000 0.553 352 F N 0.958 120.879 119.950 -0.049 0.000 2.250 352 F HA -0.029 4.498 4.527 -0.000 0.000 0.301 352 F C 2.154 177.803 175.800 -0.251 0.000 1.077 352 F CA 0.532 58.456 58.000 -0.127 0.000 1.348 352 F CB -0.921 37.977 39.000 -0.170 0.000 1.040 352 F HN -0.012 nan 8.300 nan 0.000 0.509 353 V N 1.227 120.701 119.914 -0.733 0.000 2.392 353 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 353 V C 2.793 178.813 176.094 -0.124 0.000 1.059 353 V CA 1.898 63.956 62.300 -0.403 0.000 1.051 353 V CB -1.450 30.135 31.823 -0.396 0.000 0.658 353 V HN 0.595 nan 8.190 nan 0.000 0.455 354 A N -0.918 121.842 122.820 -0.101 0.000 2.132 354 A HA -0.020 4.300 4.320 -0.000 0.000 0.213 354 A C 2.086 179.700 177.584 0.051 0.000 1.154 354 A CA 0.787 52.816 52.037 -0.014 0.000 0.753 354 A CB -0.195 18.788 19.000 -0.028 0.000 0.826 354 A HN 0.606 nan 8.150 nan 0.000 0.469 355 E N -0.690 119.562 120.200 0.086 0.000 2.190 355 E HA 0.025 4.375 4.350 -0.000 0.000 0.191 355 E C 0.046 176.810 176.600 0.274 0.000 0.978 355 E CA -0.124 56.372 56.400 0.160 0.000 0.839 355 E CB -0.091 29.715 29.700 0.177 0.000 0.787 355 E HN 0.746 nan 8.360 nan 0.000 0.473 356 H N 0.643 119.812 119.070 0.165 0.000 2.836 356 H HA 0.164 4.720 4.556 -0.000 0.000 0.368 356 H C 0.156 175.562 175.328 0.130 0.000 1.164 356 H CA -0.243 55.912 56.048 0.178 0.000 1.425 356 H CB 0.602 30.504 29.762 0.233 0.000 1.414 356 H HN -0.173 nan 8.280 nan 0.000 0.614 357 R N 0.614 121.243 120.500 0.213 0.000 2.686 357 R HA 0.475 4.815 4.340 -0.000 0.000 0.283 357 R C -0.091 176.268 176.300 0.097 0.000 0.978 357 R CA -0.235 55.952 56.100 0.145 0.000 0.897 357 R CB 1.972 32.353 30.300 0.136 0.000 1.192 357 R HN 1.054 nan 8.270 nan 0.000 0.457 358 G N 0.952 109.788 108.800 0.060 0.000 2.373 358 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.634 358 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.634 358 G C 0.137 174.965 174.900 -0.120 0.000 1.267 358 G CA -0.132 44.924 45.100 -0.074 0.000 1.008 358 G HN 0.571 nan 8.290 nan 0.000 0.497 359 M N -1.395 117.973 119.600 -0.387 0.000 2.371 359 M HA 0.673 5.153 4.480 -0.000 0.000 0.246 359 M C -0.390 175.606 176.300 -0.507 0.000 1.103 359 M CA 0.225 55.272 55.300 -0.422 0.000 1.010 359 M CB 0.220 32.498 32.600 -0.537 0.000 1.457 359 M HN 0.210 nan 8.290 nan 0.000 0.486 360 F N 0.016 119.920 119.950 -0.077 0.000 2.579 360 F HA 0.786 5.313 4.527 -0.000 0.000 0.324 360 F C -0.073 175.767 175.800 0.068 0.000 1.058 360 F CA -1.201 56.785 58.000 -0.022 0.000 0.944 360 F CB 2.150 41.104 39.000 -0.076 0.000 1.245 360 F HN -0.091 nan 8.300 nan 0.000 0.477 361 S N 0.751 116.657 115.700 0.343 0.000 2.543 361 S HA 0.452 4.922 4.470 -0.000 0.000 0.273 361 S C -1.156 173.618 174.600 0.290 0.000 1.152 361 S CA -0.783 57.655 58.200 0.396 0.000 0.910 361 S CB 1.786 65.251 63.200 0.440 0.000 1.105 361 S HN 0.542 nan 8.310 nan 0.000 0.465 362 R N 2.989 123.650 120.500 0.269 0.000 2.207 362 R HA 0.380 4.719 4.340 -0.000 0.000 0.334 362 R C 0.783 177.272 176.300 0.316 0.000 1.013 362 R CA -0.335 55.845 56.100 0.133 0.000 0.858 362 R CB 0.551 30.705 30.300 -0.243 0.000 1.094 362 R HN 0.615 nan 8.270 nan 0.000 0.457 363 L N 1.906 123.300 121.223 0.284 0.000 2.291 363 L HA 0.028 4.368 4.340 -0.000 0.000 0.214 363 L C 1.279 178.337 176.870 0.313 0.000 1.120 363 L CA 1.007 56.071 54.840 0.374 0.000 0.799 363 L CB -0.110 42.110 42.059 0.269 0.000 0.925 363 L HN 1.041 nan 8.230 nan 0.000 0.446 364 G N 0.218 109.163 108.800 0.242 0.000 2.171 364 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.238 364 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.238 364 G C 0.172 175.168 174.900 0.159 0.000 1.039 364 G CA 0.030 45.256 45.100 0.210 0.000 0.759 364 G HN 0.530 nan 8.290 nan 0.000 0.501 365 A N -0.075 122.834 122.820 0.148 0.000 2.295 365 A HA 0.928 5.248 4.320 -0.000 0.000 0.318 365 A C 0.841 178.476 177.584 0.085 0.000 1.134 365 A CA 0.681 52.788 52.037 0.116 0.000 0.827 365 A CB 0.737 19.801 19.000 0.107 0.000 1.136 365 A HN 1.774 nan 8.150 nan 0.000 0.493 366 T N -0.590 114.006 114.554 0.070 0.000 2.874 366 T HA 0.434 4.784 4.350 -0.000 0.000 0.281 366 T C -1.993 172.732 174.700 0.043 0.000 0.994 366 T CA -1.403 60.729 62.100 0.053 0.000 1.015 366 T CB 0.855 69.751 68.868 0.046 0.000 1.028 366 T HN 0.274 nan 8.240 nan 0.000 0.523 367 P HA -0.107 nan 4.420 nan 0.000 0.216 367 P C 1.382 178.695 177.300 0.022 0.000 1.150 367 P CA 1.239 64.353 63.100 0.024 0.000 0.843 367 P CB 0.072 31.783 31.700 0.019 0.000 0.787 368 E N -0.578 119.637 120.200 0.025 0.000 2.051 368 E HA -0.224 4.125 4.350 -0.000 0.000 0.192 368 E C 2.170 178.788 176.600 0.030 0.000 0.991 368 E CA 1.060 57.474 56.400 0.024 0.000 0.799 368 E CB -0.394 29.321 29.700 0.026 0.000 0.748 368 E HN 0.416 nan 8.360 nan 0.000 0.449 369 Q N 0.204 120.028 119.800 0.040 0.000 2.124 369 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 369 Q C 2.341 178.368 176.000 0.045 0.000 0.977 369 Q CA 1.095 56.929 55.803 0.051 0.000 0.850 369 Q CB 0.068 28.844 28.738 0.063 0.000 0.901 369 Q HN 0.150 nan 8.270 nan 0.000 0.429 370 V N 1.205 121.139 119.914 0.033 0.000 2.358 370 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 370 V C 2.251 178.342 176.094 -0.005 0.000 1.047 370 V CA 1.924 64.235 62.300 0.018 0.000 1.035 370 V CB -0.447 31.386 31.823 0.016 0.000 0.658 370 V HN 0.307 nan 8.190 nan 0.000 0.452 371 K N -0.193 120.204 120.400 -0.004 0.000 2.026 371 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 371 K C 2.478 179.070 176.600 -0.013 0.000 1.048 371 K CA 1.207 57.481 56.287 -0.022 0.000 0.929 371 K CB -0.139 32.356 32.500 -0.009 0.000 0.713 371 K HN 0.177 nan 8.250 nan 0.000 0.439 372 R N 0.747 121.258 120.500 0.019 0.000 2.096 372 R HA -0.157 4.183 4.340 -0.000 0.000 0.240 372 R C 2.327 178.681 176.300 0.090 0.000 1.139 372 R CA 1.769 57.896 56.100 0.045 0.000 0.952 372 R CB -0.720 29.622 30.300 0.070 0.000 0.854 372 R HN 0.380 nan 8.270 nan 0.000 0.436 373 I N 0.719 121.359 120.570 0.115 0.000 2.163 373 I HA -0.328 3.842 4.170 -0.000 0.000 0.243 373 I C 2.732 178.931 176.117 0.136 0.000 1.085 373 I CA 1.416 62.838 61.300 0.202 0.000 1.347 373 I CB -0.349 37.701 38.000 0.083 0.000 1.044 373 I HN 0.212 nan 8.210 nan 0.000 0.408 374 K N 1.222 121.599 120.400 -0.038 0.000 2.002 374 K HA -0.219 4.101 4.320 -0.000 0.000 0.209 374 K C 1.972 178.493 176.600 -0.131 0.000 1.048 374 K CA 1.784 57.940 56.287 -0.218 0.000 0.930 374 K CB -0.038 32.205 32.500 -0.428 0.000 0.714 374 K HN 0.326 nan 8.250 nan 0.000 0.438 375 E N 0.042 120.191 120.200 -0.085 0.000 2.150 375 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 375 E C 1.816 178.363 176.600 -0.088 0.000 0.985 375 E CA 1.253 57.614 56.400 -0.064 0.000 0.814 375 E CB 0.139 29.809 29.700 -0.049 0.000 0.752 375 E HN 0.434 nan 8.360 nan 0.000 0.466 376 E N -0.766 119.362 120.200 -0.119 0.000 2.276 376 E HA 0.009 4.359 4.350 -0.000 0.000 0.193 376 E C 0.878 177.119 176.600 -0.599 0.000 0.983 376 E CA 0.456 56.641 56.400 -0.359 0.000 0.861 376 E CB 0.300 29.729 29.700 -0.452 0.000 0.817 376 E HN 0.202 nan 8.360 nan 0.000 0.485 377 F N -0.859 119.087 119.950 -0.007 0.000 2.706 377 F HA 0.319 4.846 4.527 -0.000 0.000 0.313 377 F C 1.375 177.199 175.800 0.041 0.000 1.096 377 F CA 0.216 58.222 58.000 0.011 0.000 1.219 377 F CB 1.335 40.337 39.000 0.004 0.000 1.051 377 F HN 0.013 nan 8.300 nan 0.000 0.568 378 G N 1.755 110.651 108.800 0.161 0.000 2.168 378 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.257 378 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.257 378 G C 0.180 175.288 174.900 0.346 0.000 0.997 378 G CA 0.118 45.353 45.100 0.226 0.000 0.708 378 G HN 0.342 nan 8.290 nan 0.000 0.520 379 I N 0.257 120.961 120.570 0.224 0.000 2.331 379 I HA 0.454 4.624 4.170 -0.000 0.000 0.292 379 I C -0.056 176.146 176.117 0.141 0.000 0.998 379 I CA -1.033 60.412 61.300 0.242 0.000 1.267 379 I CB 0.844 38.926 38.000 0.136 0.000 1.386 379 I HN -0.006 nan 8.210 nan 0.000 0.476 380 Y N 6.930 127.293 120.300 0.106 0.000 2.360 380 Y HA 0.664 5.214 4.550 -0.000 0.000 0.337 380 Y C 0.280 176.184 175.900 0.008 0.000 1.039 380 Y CA -0.881 57.260 58.100 0.069 0.000 1.109 380 Y CB 1.669 40.182 38.460 0.089 0.000 1.201 380 Y HN 0.464 nan 8.280 nan 0.000 0.458 381 M N -0.097 119.574 119.600 0.117 0.000 2.721 381 M HA 0.729 5.209 4.480 -0.000 0.000 0.271 381 M C -1.709 174.624 176.300 0.054 0.000 1.259 381 M CA -1.227 54.116 55.300 0.072 0.000 0.835 381 M CB 1.373 34.007 32.600 0.056 0.000 1.689 381 M HN 0.159 nan 8.290 nan 0.000 0.470 382 V N 1.902 121.835 119.914 0.032 0.000 2.999 382 V HA 0.152 4.272 4.120 -0.000 0.000 0.307 382 V C 1.652 177.752 176.094 0.010 0.000 1.084 382 V CA 1.063 63.369 62.300 0.010 0.000 1.155 382 V CB 0.776 32.582 31.823 -0.029 0.000 0.975 382 V HN 1.110 nan 8.190 nan 0.000 0.490 383 G N 2.337 111.140 108.800 0.006 0.000 2.485 383 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.221 383 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.221 383 G C 0.879 175.782 174.900 0.006 0.000 1.115 383 G CA 0.902 46.006 45.100 0.007 0.000 0.751 383 G HN 0.968 nan 8.290 nan 0.000 0.567 384 D N -0.102 120.294 120.400 -0.007 0.000 2.325 384 D HA 0.013 4.653 4.640 -0.000 0.000 0.234 384 D C 1.319 177.621 176.300 0.003 0.000 1.122 384 D CA 0.860 54.855 54.000 -0.009 0.000 0.850 384 D CB -0.640 40.137 40.800 -0.039 0.000 0.921 384 D HN 0.536 nan 8.370 nan 0.000 0.513 385 S N -1.316 114.397 115.700 0.022 0.000 3.490 385 S HA -0.312 4.158 4.470 -0.000 0.000 0.301 385 S C 0.314 174.947 174.600 0.056 0.000 1.233 385 S CA 0.399 58.629 58.200 0.049 0.000 0.914 385 S CB -2.503 60.745 63.200 0.080 0.000 1.047 385 S HN 0.685 nan 8.310 nan 0.000 0.602 386 R N 1.474 121.987 120.500 0.021 0.000 2.298 386 R HA 0.655 4.995 4.340 -0.000 0.000 0.310 386 R C 0.547 176.898 176.300 0.085 0.000 1.068 386 R CA -0.082 56.034 56.100 0.027 0.000 0.957 386 R CB 0.256 30.509 30.300 -0.078 0.000 1.003 386 R HN 0.725 nan 8.270 nan 0.000 0.454 387 I N 0.713 121.379 120.570 0.160 0.000 2.740 387 I HA 0.442 4.612 4.170 -0.000 0.000 0.303 387 I C -0.793 175.488 176.117 0.274 0.000 1.044 387 I CA -1.180 60.222 61.300 0.171 0.000 1.064 387 I CB 2.088 40.160 38.000 0.120 0.000 1.249 387 I HN 0.411 nan 8.210 nan 0.000 0.433 388 N N 4.513 123.334 118.700 0.202 0.000 2.457 388 N HA 0.293 5.033 4.740 -0.000 0.000 0.250 388 N C 0.750 176.270 175.510 0.016 0.000 0.982 388 N CA -0.514 52.603 53.050 0.112 0.000 0.941 388 N CB 1.276 39.815 38.487 0.087 0.000 1.120 388 N HN 0.689 nan 8.380 nan 0.000 0.505 389 I N 2.568 123.132 120.570 -0.010 0.000 2.264 389 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 389 I C 2.154 178.266 176.117 -0.008 0.000 1.111 389 I CA 0.974 62.276 61.300 0.003 0.000 1.382 389 I CB -1.592 36.418 38.000 0.016 0.000 1.060 389 I HN 0.572 nan 8.210 nan 0.000 0.418 390 A N 0.928 123.732 122.820 -0.026 0.000 2.076 390 A HA -0.089 4.230 4.320 -0.000 0.000 0.220 390 A C 2.423 179.944 177.584 -0.105 0.000 1.160 390 A CA 1.692 53.699 52.037 -0.049 0.000 0.653 390 A CB -1.190 17.749 19.000 -0.101 0.000 0.801 390 A HN 0.468 nan 8.150 nan 0.000 0.455 391 G N -1.176 107.577 108.800 -0.079 0.000 2.572 391 G HA2 0.242 4.202 3.960 -0.000 0.000 0.216 391 G HA3 0.242 4.202 3.960 -0.000 0.000 0.216 391 G C 0.644 175.515 174.900 -0.048 0.000 1.133 391 G CA 0.008 45.062 45.100 -0.076 0.000 0.791 391 G HN 0.295 nan 8.290 nan 0.000 0.538 392 L N 0.759 121.963 121.223 -0.031 0.000 2.475 392 L HA 0.410 4.750 4.340 -0.000 0.000 0.253 392 L C 0.286 177.143 176.870 -0.022 0.000 1.198 392 L CA -0.009 54.818 54.840 -0.021 0.000 0.814 392 L CB 0.598 42.647 42.059 -0.017 0.000 1.134 392 L HN 0.581 nan 8.230 nan 0.000 0.478 393 N N -2.750 115.939 118.700 -0.017 0.000 3.355 393 N HA 0.056 4.796 4.740 -0.000 0.000 0.238 393 N C -0.159 175.344 175.510 -0.012 0.000 1.466 393 N CA -0.606 52.437 53.050 -0.013 0.000 0.882 393 N CB 0.237 38.715 38.487 -0.014 0.000 1.406 393 N HN 0.285 nan 8.380 nan 0.000 0.500 394 D N -0.828 119.567 120.400 -0.008 0.000 2.228 394 D HA -0.098 4.542 4.640 -0.000 0.000 0.203 394 D C 0.626 176.921 176.300 -0.008 0.000 0.988 394 D CA 1.638 55.633 54.000 -0.008 0.000 0.864 394 D CB -0.092 40.705 40.800 -0.005 0.000 0.928 394 D HN 0.572 nan 8.370 nan 0.000 0.469 395 N N -1.876 116.821 118.700 -0.005 0.000 2.387 395 N HA -0.041 4.699 4.740 -0.000 0.000 0.176 395 N C 1.662 177.172 175.510 0.000 0.000 1.022 395 N CA 1.194 54.243 53.050 -0.000 0.000 0.883 395 N CB 0.218 38.708 38.487 0.004 0.000 1.019 395 N HN 0.158 nan 8.380 nan 0.000 0.435 396 T N -0.582 113.971 114.554 -0.002 0.000 2.942 396 T HA 0.084 4.434 4.350 -0.000 0.000 0.265 396 T C 1.889 176.577 174.700 -0.020 0.000 1.062 396 T CA 0.402 62.502 62.100 -0.001 0.000 1.139 396 T CB -0.418 68.452 68.868 0.004 0.000 0.883 396 T HN 0.065 nan 8.240 nan 0.000 0.468 397 I N 2.336 122.888 120.570 -0.029 0.000 2.151 397 I HA -0.122 4.048 4.170 -0.000 0.000 0.243 397 I C -0.547 175.530 176.117 -0.066 0.000 1.080 397 I CA 1.481 62.751 61.300 -0.050 0.000 1.339 397 I CB -1.053 36.919 38.000 -0.047 0.000 1.039 397 I HN 0.231 nan 8.210 nan 0.000 0.409 398 P HA -0.178 nan 4.420 nan 0.000 0.216 398 P C 1.778 179.038 177.300 -0.068 0.000 1.153 398 P CA 1.645 64.714 63.100 -0.052 0.000 0.858 398 P CB -0.013 31.672 31.700 -0.026 0.000 0.789 399 I N -1.587 118.953 120.570 -0.049 0.000 2.202 399 I HA -0.184 3.986 4.170 -0.000 0.000 0.242 399 I C 2.326 178.350 176.117 -0.154 0.000 1.091 399 I CA 0.939 62.207 61.300 -0.054 0.000 1.368 399 I CB -0.720 37.290 38.000 0.017 0.000 1.058 399 I HN -0.045 nan 8.210 nan 0.000 0.410 400 L N 1.274 122.420 121.223 -0.129 0.000 1.994 400 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 400 L C 2.796 179.517 176.870 -0.250 0.000 1.071 400 L CA 2.466 57.204 54.840 -0.169 0.000 0.745 400 L CB -1.324 40.669 42.059 -0.109 0.000 0.892 400 L HN 0.256 nan 8.230 nan 0.000 0.431 401 A N -0.203 122.484 122.820 -0.221 0.000 1.873 401 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 401 A C 2.369 179.785 177.584 -0.281 0.000 1.193 401 A CA 2.139 54.020 52.037 -0.261 0.000 0.629 401 A CB -0.575 18.308 19.000 -0.196 0.000 0.826 401 A HN 0.425 nan 8.150 nan 0.000 0.447 402 R N -0.585 119.764 120.500 -0.251 0.000 2.091 402 R HA -0.064 4.276 4.340 -0.000 0.000 0.238 402 R C 2.485 178.515 176.300 -0.450 0.000 1.136 402 R CA 1.458 57.408 56.100 -0.251 0.000 0.959 402 R CB -0.568 29.639 30.300 -0.155 0.000 0.856 402 R HN 0.540 nan 8.270 nan 0.000 0.437 403 A N 0.924 123.278 122.820 -0.777 0.000 1.883 403 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 403 A C 2.157 179.434 177.584 -0.512 0.000 1.186 403 A CA 1.558 52.863 52.037 -1.219 0.000 0.624 403 A CB -0.673 17.650 19.000 -1.129 0.000 0.822 403 A HN 0.240 nan 8.150 nan 0.000 0.444 404 I N -0.098 120.255 120.570 -0.362 0.000 2.118 404 I HA -0.286 3.884 4.170 -0.000 0.000 0.241 404 I C 2.307 178.337 176.117 -0.144 0.000 1.070 404 I CA 1.262 62.418 61.300 -0.240 0.000 1.327 404 I CB -0.392 37.374 38.000 -0.391 0.000 1.034 404 I HN 0.269 nan 8.210 nan 0.000 0.405 405 I N 0.514 120.981 120.570 -0.173 0.000 2.179 405 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 405 I C 2.585 178.705 176.117 0.004 0.000 1.088 405 I CA 1.598 62.871 61.300 -0.044 0.000 1.357 405 I CB -1.363 36.605 38.000 -0.053 0.000 1.051 405 I HN 0.273 nan 8.210 nan 0.000 0.409 406 E N 1.104 121.290 120.200 -0.023 0.000 2.085 406 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 406 E C 2.020 178.687 176.600 0.111 0.000 0.994 406 E CA 1.146 57.592 56.400 0.077 0.000 0.801 406 E CB -0.159 29.658 29.700 0.196 0.000 0.743 406 E HN 0.282 nan 8.360 nan 0.000 0.453 407 V N -0.455 119.515 119.914 0.092 0.000 3.510 407 V HA 0.108 4.228 4.120 -0.000 0.000 0.270 407 V C 1.279 177.425 176.094 0.085 0.000 1.201 407 V CA 0.776 63.139 62.300 0.106 0.000 1.166 407 V CB -0.710 31.176 31.823 0.105 0.000 0.825 407 V HN 0.502 nan 8.190 nan 0.000 0.484 408 G N 0.450 109.301 108.800 0.084 0.000 2.248 408 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.263 408 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.263 408 G C -0.039 174.931 174.900 0.116 0.000 1.082 408 G CA 0.169 45.325 45.100 0.092 0.000 0.863 408 G HN 0.347 nan 8.290 nan 0.000 0.495 409 V N 0.000 120.013 119.914 0.164 0.000 2.409 409 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 409 V CA 0.000 62.441 62.300 0.236 0.000 1.235 409 V CB 0.000 31.989 31.823 0.277 0.000 1.184 409 V HN 0.000 nan 8.190 nan 0.000 0.556