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 1c47_1_B DATA FIRST_RESID 1 DATA SEQUENCE VKIVTVKTKA YPDQKPGTSG LRKRVKVFQS STNYAENFIQ SIISTVEPAQ DATA SEQUENCE RQEATLVVGG DGRFYMKEAI QLIVRIAAAN GIGRLVIGQN GILSTPAVSC DATA SEQUENCE IIRKIKAIGG IILTASHNPG GPNGDFGIKF NISNGGPAPE AITDKIFQIS DATA SEQUENCE KTIEEYAICP DLKVDLGVLG KQQFDLENKF KPFTVEIVDS VEAYATMLRN DATA SEQUENCE IFDFNALKEL LSGPNRLKIR IDAMHGVVGP YVKKILCEEL GAPANSAVNC DATA SEQUENCE VPLEDFGGHH PDPNLTYAAD LVETMKSGEH DFGAAFDGDG DRNMILGKHG DATA SEQUENCE FFVNPSDSVA VIAANIFSIP YFQQTGVRGF ARSMPTSGAL DRVANATKIA DATA SEQUENCE LYETPTGWKF FGNLMDASKL SLCGEESFGT GSDHIREKDG LWAVLAWLSI DATA SEQUENCE LATRKQSVED ILKDHWHKFG RNFFTRYDYE EVEAEGATKM MKDLEALMFD DATA SEQUENCE RSFVGKQFSA NDKVYTVEKA DNFEYHDPVD GSVSKNQGLR LIFADGSRII DATA SEQUENCE FRLSGTGSAG ATIRLYIDSY EKDNAKINQD PQVMLAPLIS IALKVSQLQE DATA SEQUENCE RTGRTAPTVI T 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.115 176.094 0.036 0.000 1.182 1 V CA 0.000 62.341 62.300 0.068 0.000 1.235 1 V CB 0.000 31.866 31.823 0.072 0.000 1.184 2 K N 1.720 122.129 120.400 0.015 0.000 2.143 2 K HA 0.817 5.138 4.320 0.001 0.000 0.272 2 K C -0.816 175.773 176.600 -0.018 0.000 1.001 2 K CA -0.649 55.639 56.287 0.001 0.000 0.915 2 K CB 2.132 34.632 32.500 -0.001 0.000 1.047 2 K HN 0.681 nan 8.250 nan 0.000 0.458 3 I N 3.382 123.938 120.570 -0.024 0.000 2.291 3 I HA 0.098 4.268 4.170 0.001 0.000 0.290 3 I C -0.631 175.459 176.117 -0.045 0.000 1.050 3 I CA -1.001 60.274 61.300 -0.041 0.000 1.245 3 I CB 1.269 39.245 38.000 -0.041 0.000 1.405 3 I HN 0.393 nan 8.210 nan 0.000 0.478 4 V N 5.619 125.501 119.914 -0.054 0.000 2.509 4 V HA 0.256 4.376 4.120 0.001 0.000 0.284 4 V C 0.368 176.396 176.094 -0.110 0.000 1.047 4 V CA -0.317 61.941 62.300 -0.071 0.000 0.952 4 V CB 1.870 33.654 31.823 -0.066 0.000 0.988 4 V HN 0.681 nan 8.190 nan 0.000 0.469 5 T N 4.424 118.907 114.554 -0.119 0.000 2.733 5 T HA 0.461 4.811 4.350 0.001 0.000 0.294 5 T C -0.298 174.258 174.700 -0.239 0.000 0.956 5 T CA -0.384 61.619 62.100 -0.162 0.000 0.987 5 T CB 1.018 69.823 68.868 -0.106 0.000 0.920 5 T HN 0.318 nan 8.240 nan 0.000 0.470 6 V N 4.526 124.170 119.914 -0.449 0.000 2.383 6 V HA 0.299 4.419 4.120 0.001 0.000 0.275 6 V C 0.635 176.501 176.094 -0.379 0.000 1.036 6 V CA -0.976 61.015 62.300 -0.515 0.000 0.889 6 V CB 1.191 32.461 31.823 -0.923 0.000 0.985 6 V HN 0.671 nan 8.190 nan 0.000 0.459 7 K N 3.212 123.505 120.400 -0.178 0.000 2.363 7 K HA 0.215 4.535 4.320 0.001 0.000 0.289 7 K C 0.089 176.681 176.600 -0.014 0.000 1.063 7 K CA 0.391 56.631 56.287 -0.078 0.000 0.967 7 K CB 0.836 33.305 32.500 -0.051 0.000 0.987 7 K HN 0.845 nan 8.250 nan 0.000 0.473 8 T N 2.537 117.124 114.554 0.055 0.000 2.938 8 T HA 0.441 4.791 4.350 0.001 0.000 0.285 8 T C -1.049 173.692 174.700 0.069 0.000 1.028 8 T CA -0.726 61.457 62.100 0.138 0.000 1.005 8 T CB 1.047 70.108 68.868 0.321 0.000 1.157 8 T HN 0.391 nan 8.240 nan 0.000 0.550 9 K N 1.217 121.646 120.400 0.049 0.000 2.394 9 K HA 0.733 5.053 4.320 0.001 0.000 0.260 9 K C -0.192 176.346 176.600 -0.103 0.000 0.967 9 K CA -0.507 55.754 56.287 -0.042 0.000 0.855 9 K CB 1.116 33.564 32.500 -0.087 0.000 1.101 9 K HN 0.749 nan 8.250 nan 0.000 0.433 10 A N 3.137 125.911 122.820 -0.077 0.000 2.455 10 A HA 0.247 4.568 4.320 0.001 0.000 0.244 10 A C -0.933 176.545 177.584 -0.177 0.000 1.099 10 A CA 0.441 52.450 52.037 -0.048 0.000 0.786 10 A CB 0.026 19.012 19.000 -0.023 0.000 1.051 10 A HN 0.697 nan 8.150 nan 0.000 0.508 11 Y N -0.125 120.178 120.300 0.006 0.000 2.446 11 Y HA 0.435 4.985 4.550 0.001 0.000 0.345 11 Y C -1.428 174.505 175.900 0.054 0.000 0.984 11 Y CA -1.513 56.608 58.100 0.035 0.000 1.058 11 Y CB 2.302 40.774 38.460 0.018 0.000 1.220 11 Y HN 0.534 nan 8.280 nan 0.000 0.455 12 P HA -0.035 nan 4.420 nan 0.000 0.234 12 P C 0.266 177.759 177.300 0.322 0.000 1.175 12 P CA 1.022 64.255 63.100 0.222 0.000 0.801 12 P CB 0.504 32.296 31.700 0.153 0.000 0.891 13 D N -0.733 119.830 120.400 0.271 0.000 2.342 13 D HA -0.031 4.609 4.640 0.001 0.000 0.221 13 D C 0.670 177.028 176.300 0.098 0.000 1.101 13 D CA 0.039 54.144 54.000 0.176 0.000 0.837 13 D CB -0.589 40.284 40.800 0.121 0.000 0.938 13 D HN 0.172 nan 8.370 nan 0.000 0.508 14 Q N 0.944 120.827 119.800 0.138 0.000 2.639 14 Q HA 0.071 4.411 4.340 0.001 0.000 0.301 14 Q C -0.114 175.904 176.000 0.029 0.000 1.029 14 Q CA -0.030 55.728 55.803 -0.075 0.000 0.936 14 Q CB 0.110 28.743 28.738 -0.175 0.000 1.354 14 Q HN 0.162 nan 8.270 nan 0.000 0.417 15 K N 2.636 122.929 120.400 -0.179 0.000 2.284 15 K HA 0.201 4.521 4.320 0.001 0.000 0.287 15 K C -2.392 174.085 176.600 -0.206 0.000 1.081 15 K CA -1.942 54.063 56.287 -0.471 0.000 0.910 15 K CB 0.722 32.622 32.500 -1.000 0.000 1.088 15 K HN -0.001 nan 8.250 nan 0.000 0.478 16 P HA 0.106 nan 4.420 nan 0.000 0.275 16 P C -0.070 177.257 177.300 0.045 0.000 1.276 16 P CA -0.253 62.901 63.100 0.090 0.000 0.782 16 P CB 1.181 33.093 31.700 0.352 0.000 0.851 17 G N 2.273 111.084 108.800 0.018 0.000 2.621 17 G HA2 0.233 4.193 3.960 0.001 0.000 0.271 17 G HA3 0.233 4.193 3.960 0.001 0.000 0.271 17 G C 1.092 176.025 174.900 0.055 0.000 1.236 17 G CA -0.237 44.876 45.100 0.021 0.000 0.958 17 G HN 0.470 nan 8.290 nan 0.000 0.512 18 T N -2.376 112.207 114.554 0.049 0.000 3.077 18 T HA -0.060 4.290 4.350 0.001 0.000 0.269 18 T C 1.600 176.335 174.700 0.059 0.000 1.146 18 T CA 1.308 63.438 62.100 0.051 0.000 1.091 18 T CB 0.016 68.906 68.868 0.038 0.000 0.892 18 T HN 0.180 nan 8.240 nan 0.000 0.533 19 S N 0.669 116.407 115.700 0.064 0.000 2.573 19 S HA 0.569 5.040 4.470 0.001 0.000 0.244 19 S C 1.281 175.922 174.600 0.068 0.000 0.984 19 S CA -0.161 58.075 58.200 0.060 0.000 1.001 19 S CB -0.279 62.959 63.200 0.063 0.000 0.788 19 S HN 1.043 nan 8.310 nan 0.000 0.456 20 G N 1.662 110.524 108.800 0.102 0.000 2.525 20 G HA2 -0.243 3.717 3.960 0.001 0.000 0.248 20 G HA3 -0.243 3.717 3.960 0.001 0.000 0.248 20 G C -0.606 174.373 174.900 0.131 0.000 1.238 20 G CA -0.212 44.987 45.100 0.166 0.000 0.926 20 G HN 0.567 nan 8.290 nan 0.000 0.574 21 L N 1.304 122.608 121.223 0.134 0.000 2.321 21 L HA 0.684 5.024 4.340 0.001 0.000 0.272 21 L C 0.675 177.602 176.870 0.094 0.000 1.050 21 L CA -0.409 54.422 54.840 -0.016 0.000 0.893 21 L CB 0.524 42.339 42.059 -0.406 0.000 1.272 21 L HN 0.515 nan 8.230 nan 0.000 0.435 22 R N 4.830 125.368 120.500 0.063 0.000 2.202 22 R HA 0.490 4.831 4.340 0.001 0.000 0.334 22 R C -0.474 175.888 176.300 0.102 0.000 1.036 22 R CA -0.469 55.689 56.100 0.097 0.000 0.878 22 R CB 0.847 31.168 30.300 0.034 0.000 1.067 22 R HN 0.453 nan 8.270 nan 0.000 0.457 23 K N 1.931 122.469 120.400 0.230 0.000 2.263 23 K HA 0.459 4.779 4.320 0.001 0.000 0.249 23 K C -0.290 176.403 176.600 0.155 0.000 1.076 23 K CA -1.178 55.158 56.287 0.083 0.000 0.884 23 K CB 1.300 33.683 32.500 -0.194 0.000 1.394 23 K HN 0.279 nan 8.250 nan 0.000 0.476 24 R N 1.009 121.519 120.500 0.016 0.000 2.438 24 R HA 0.113 4.453 4.340 0.001 0.000 0.287 24 R C 1.383 177.745 176.300 0.104 0.000 1.077 24 R CA -0.079 56.045 56.100 0.040 0.000 1.034 24 R CB 0.332 30.604 30.300 -0.045 0.000 0.993 24 R HN 0.358 nan 8.270 nan 0.000 0.459 25 V N 3.661 123.658 119.914 0.138 0.000 2.380 25 V HA -0.301 3.819 4.120 0.001 0.000 0.251 25 V C 2.087 178.136 176.094 -0.074 0.000 1.063 25 V CA 1.862 64.205 62.300 0.073 0.000 1.055 25 V CB -0.406 31.492 31.823 0.125 0.000 0.657 25 V HN 0.696 nan 8.190 nan 0.000 0.455 26 K N -0.472 119.889 120.400 -0.066 0.000 2.283 26 K HA -0.092 4.228 4.320 0.001 0.000 0.202 26 K C 1.995 178.486 176.600 -0.181 0.000 1.048 26 K CA 1.049 57.273 56.287 -0.106 0.000 0.948 26 K CB -0.234 32.215 32.500 -0.084 0.000 0.742 26 K HN 0.394 nan 8.250 nan 0.000 0.458 27 V N 0.784 120.545 119.914 -0.255 0.000 2.244 27 V HA -0.221 3.899 4.120 0.001 0.000 0.244 27 V C 1.911 177.639 176.094 -0.610 0.000 1.042 27 V CA 1.719 63.717 62.300 -0.504 0.000 1.006 27 V CB -0.566 30.830 31.823 -0.712 0.000 0.641 27 V HN 0.154 nan 8.190 nan 0.000 0.446 28 F N 0.410 120.062 119.950 -0.496 0.000 2.154 28 F HA -0.255 4.273 4.527 0.001 0.000 0.301 28 F C 2.681 178.266 175.800 -0.359 0.000 1.087 28 F CA 1.941 59.729 58.000 -0.354 0.000 1.274 28 F CB -0.433 38.306 39.000 -0.437 0.000 1.009 28 F HN 0.182 nan 8.300 nan 0.000 0.485 29 Q N -0.530 119.108 119.800 -0.269 0.000 2.123 29 Q HA -0.126 4.214 4.340 0.001 0.000 0.199 29 Q C 2.379 178.340 176.000 -0.065 0.000 0.966 29 Q CA 1.709 57.408 55.803 -0.174 0.000 0.845 29 Q CB -0.218 28.419 28.738 -0.168 0.000 0.907 29 Q HN 0.482 nan 8.270 nan 0.000 0.439 30 S N -0.312 115.330 115.700 -0.096 0.000 2.427 30 S HA 0.055 4.525 4.470 0.001 0.000 0.224 30 S C 1.174 175.763 174.600 -0.018 0.000 1.047 30 S CA -0.246 57.923 58.200 -0.051 0.000 0.953 30 S CB 0.050 63.208 63.200 -0.069 0.000 0.824 30 S HN -0.014 nan 8.310 nan 0.000 0.502 31 S N 3.252 118.908 115.700 -0.073 0.000 2.519 31 S HA 0.201 4.672 4.470 0.001 0.000 0.320 31 S C -0.045 174.660 174.600 0.174 0.000 1.179 31 S CA -0.088 58.141 58.200 0.048 0.000 1.173 31 S CB -0.353 62.756 63.200 -0.151 0.000 1.224 31 S HN 0.491 nan 8.310 nan 0.000 0.542 32 T N 5.281 119.954 114.554 0.199 0.000 2.849 32 T HA -0.033 4.317 4.350 0.001 0.000 0.289 32 T C 0.972 175.842 174.700 0.282 0.000 1.010 32 T CA 0.436 62.658 62.100 0.203 0.000 1.161 32 T CB -0.153 68.814 68.868 0.164 0.000 0.989 32 T HN 0.745 nan 8.240 nan 0.000 0.523 33 N N 0.919 119.753 118.700 0.223 0.000 2.909 33 N HA -0.212 4.528 4.740 0.001 0.000 0.242 33 N C 0.391 175.993 175.510 0.153 0.000 0.975 33 N CA 1.172 54.330 53.050 0.180 0.000 0.921 33 N CB -1.630 37.014 38.487 0.261 0.000 1.112 33 N HN 0.745 nan 8.380 nan 0.000 0.581 34 Y N 1.014 121.305 120.300 -0.016 0.000 2.036 34 Y HA -0.066 4.485 4.550 0.001 0.000 0.273 34 Y C 2.334 178.224 175.900 -0.016 0.000 1.135 34 Y CA 3.007 60.934 58.100 -0.289 0.000 1.106 34 Y CB -0.693 37.492 38.460 -0.457 0.000 0.976 34 Y HN 0.228 nan 8.280 nan 0.000 0.483 35 A N -0.118 122.910 122.820 0.347 0.000 1.933 35 A HA -0.210 4.110 4.320 0.001 0.000 0.218 35 A C 1.951 179.612 177.584 0.129 0.000 1.175 35 A CA 1.982 54.268 52.037 0.415 0.000 0.628 35 A CB -0.752 18.537 19.000 0.482 0.000 0.814 35 A HN 0.608 nan 8.150 nan 0.000 0.444 36 E N 0.314 120.493 120.200 -0.035 0.000 2.110 36 E HA -0.159 4.192 4.350 0.001 0.000 0.193 36 E C 1.811 178.176 176.600 -0.392 0.000 0.988 36 E CA 1.602 57.805 56.400 -0.328 0.000 0.804 36 E CB -0.321 28.978 29.700 -0.668 0.000 0.745 36 E HN 0.805 nan 8.360 nan 0.000 0.458 37 N N -0.562 117.998 118.700 -0.234 0.000 2.171 37 N HA -0.116 4.625 4.740 0.001 0.000 0.184 37 N C 1.553 177.052 175.510 -0.019 0.000 1.021 37 N CA 0.567 53.553 53.050 -0.107 0.000 0.854 37 N CB -0.168 38.334 38.487 0.025 0.000 0.994 37 N HN 0.036 nan 8.380 nan 0.000 0.426 38 F N 2.186 122.035 119.950 -0.169 0.000 2.102 38 F HA -0.036 4.491 4.527 0.001 0.000 0.298 38 F C 1.947 177.697 175.800 -0.085 0.000 1.105 38 F CA 1.035 58.969 58.000 -0.110 0.000 1.239 38 F CB -0.350 38.599 39.000 -0.086 0.000 0.991 38 F HN -0.055 nan 8.300 nan 0.000 0.474 39 I N -0.043 120.479 120.570 -0.080 0.000 2.208 39 I HA -0.337 3.833 4.170 0.001 0.000 0.245 39 I C 2.444 178.427 176.117 -0.223 0.000 1.097 39 I CA 1.722 62.913 61.300 -0.181 0.000 1.363 39 I CB -0.621 37.329 38.000 -0.084 0.000 1.051 39 I HN 0.197 nan 8.210 nan 0.000 0.413 40 Q N 1.060 120.759 119.800 -0.167 0.000 2.124 40 Q HA -0.170 4.171 4.340 0.001 0.000 0.202 40 Q C 2.173 178.087 176.000 -0.143 0.000 0.977 40 Q CA 2.305 58.038 55.803 -0.117 0.000 0.850 40 Q CB -0.233 28.478 28.738 -0.046 0.000 0.901 40 Q HN 0.405 nan 8.270 nan 0.000 0.429 41 S N 0.140 115.738 115.700 -0.171 0.000 2.368 41 S HA -0.126 4.345 4.470 0.001 0.000 0.225 41 S C 1.858 176.292 174.600 -0.276 0.000 1.030 41 S CA 1.375 59.470 58.200 -0.175 0.000 0.999 41 S CB -0.413 62.705 63.200 -0.136 0.000 0.844 41 S HN 0.440 nan 8.310 nan 0.000 0.459 42 I N 1.196 121.484 120.570 -0.471 0.000 2.127 42 I HA -0.226 3.945 4.170 0.001 0.000 0.241 42 I C 2.025 177.852 176.117 -0.484 0.000 1.075 42 I CA 1.440 62.359 61.300 -0.635 0.000 1.334 42 I CB -0.473 37.014 38.000 -0.855 0.000 1.040 42 I HN 0.221 nan 8.210 nan 0.000 0.405 43 I N 0.123 120.491 120.570 -0.338 0.000 2.394 43 I HA -0.228 3.942 4.170 0.001 0.000 0.251 43 I C 2.499 178.540 176.117 -0.128 0.000 1.136 43 I CA 1.080 62.259 61.300 -0.202 0.000 1.425 43 I CB -0.330 37.585 38.000 -0.142 0.000 1.079 43 I HN 0.093 nan 8.210 nan 0.000 0.425 44 S N -0.039 115.589 115.700 -0.120 0.000 2.419 44 S HA -0.176 4.295 4.470 0.001 0.000 0.233 44 S C 2.142 176.711 174.600 -0.052 0.000 1.016 44 S CA 1.793 59.952 58.200 -0.068 0.000 0.974 44 S CB -0.601 62.566 63.200 -0.056 0.000 0.786 44 S HN 0.682 nan 8.310 nan 0.000 0.492 45 T N -0.238 114.274 114.554 -0.069 0.000 3.035 45 T HA 0.066 4.417 4.350 0.001 0.000 0.268 45 T C 0.603 175.310 174.700 0.011 0.000 1.109 45 T CA 0.185 62.275 62.100 -0.017 0.000 1.119 45 T CB -0.457 68.412 68.868 0.001 0.000 0.900 45 T HN 0.074 nan 8.240 nan 0.000 0.503 46 V N 3.300 123.211 119.914 -0.005 0.000 2.455 46 V HA 0.201 4.321 4.120 0.001 0.000 0.273 46 V C 0.356 176.458 176.094 0.014 0.000 1.045 46 V CA -1.073 61.241 62.300 0.022 0.000 0.976 46 V CB 0.727 32.561 31.823 0.018 0.000 0.993 46 V HN 0.434 nan 8.190 nan 0.000 0.475 47 E N 7.143 127.357 120.200 0.023 0.000 2.585 47 E HA -0.029 4.322 4.350 0.001 0.000 0.252 47 E C -1.505 175.103 176.600 0.014 0.000 0.981 47 E CA -1.323 55.087 56.400 0.017 0.000 0.943 47 E CB 0.366 30.078 29.700 0.021 0.000 0.923 47 E HN 0.412 nan 8.360 nan 0.000 0.486 48 P HA -0.270 nan 4.420 nan 0.000 0.217 48 P C 1.099 178.407 177.300 0.013 0.000 1.158 48 P CA 2.298 65.402 63.100 0.006 0.000 0.887 48 P CB 0.157 31.859 31.700 0.003 0.000 0.792 49 A N -0.722 122.106 122.820 0.014 0.000 1.969 49 A HA -0.199 4.121 4.320 0.001 0.000 0.218 49 A C 2.222 179.820 177.584 0.024 0.000 1.169 49 A CA 1.263 53.310 52.037 0.017 0.000 0.635 49 A CB -1.138 17.870 19.000 0.014 0.000 0.810 49 A HN 0.218 nan 8.150 nan 0.000 0.445 50 Q N -0.731 119.084 119.800 0.026 0.000 2.369 50 Q HA -0.070 4.270 4.340 0.001 0.000 0.206 50 Q C 2.114 178.138 176.000 0.041 0.000 0.963 50 Q CA 0.565 56.388 55.803 0.033 0.000 0.894 50 Q CB -0.032 28.727 28.738 0.035 0.000 0.965 50 Q HN 0.647 nan 8.270 nan 0.000 0.475 51 R N 0.199 120.722 120.500 0.038 0.000 2.073 51 R HA -0.183 4.157 4.340 0.001 0.000 0.234 51 R C 2.234 178.572 176.300 0.063 0.000 1.134 51 R CA 1.375 57.502 56.100 0.045 0.000 0.952 51 R CB -0.214 30.104 30.300 0.030 0.000 0.850 51 R HN 0.103 nan 8.270 nan 0.000 0.433 52 Q N 1.188 121.025 119.800 0.062 0.000 2.135 52 Q HA -0.157 4.183 4.340 0.001 0.000 0.204 52 Q C 0.874 176.922 176.000 0.080 0.000 0.981 52 Q CA 1.569 57.420 55.803 0.080 0.000 0.856 52 Q CB 0.152 28.934 28.738 0.073 0.000 0.902 52 Q HN 0.190 nan 8.270 nan 0.000 0.425 53 E N -0.465 119.773 120.200 0.064 0.000 2.394 53 E HA 0.315 4.665 4.350 0.001 0.000 0.191 53 E C -0.735 175.900 176.600 0.058 0.000 1.044 53 E CA 0.291 56.726 56.400 0.058 0.000 0.939 53 E CB 0.280 30.008 29.700 0.046 0.000 1.089 53 E HN 0.316 nan 8.360 nan 0.000 0.456 54 A N 0.503 123.364 122.820 0.069 0.000 2.325 54 A HA 0.618 4.938 4.320 0.001 0.000 0.333 54 A C -0.027 177.606 177.584 0.082 0.000 1.155 54 A CA -0.358 51.721 52.037 0.070 0.000 0.814 54 A CB 1.053 20.096 19.000 0.071 0.000 1.206 54 A HN -0.032 nan 8.150 nan 0.000 0.482 55 T N 2.345 116.943 114.554 0.073 0.000 2.807 55 T HA 0.554 4.904 4.350 0.001 0.000 0.279 55 T C -0.621 174.130 174.700 0.084 0.000 0.993 55 T CA -0.133 62.011 62.100 0.074 0.000 0.970 55 T CB 0.647 69.545 68.868 0.051 0.000 0.950 55 T HN 0.456 nan 8.240 nan 0.000 0.441 56 L N 3.307 124.587 121.223 0.096 0.000 2.313 56 L HA 0.557 4.897 4.340 0.001 0.000 0.283 56 L C -0.443 176.479 176.870 0.086 0.000 1.013 56 L CA -1.081 53.823 54.840 0.106 0.000 0.816 56 L CB 1.796 43.925 42.059 0.116 0.000 1.236 56 L HN 0.364 nan 8.230 nan 0.000 0.419 57 V N 4.790 124.751 119.914 0.078 0.000 2.461 57 V HA 0.314 4.434 4.120 0.001 0.000 0.275 57 V C 0.111 176.243 176.094 0.063 0.000 1.047 57 V CA -0.401 61.934 62.300 0.058 0.000 0.955 57 V CB 1.569 33.417 31.823 0.042 0.000 0.988 57 V HN 0.407 nan 8.190 nan 0.000 0.471 58 V N 3.812 123.757 119.914 0.052 0.000 2.680 58 V HA 1.020 5.141 4.120 0.001 0.000 0.309 58 V C 0.427 176.541 176.094 0.034 0.000 1.052 58 V CA -0.024 62.305 62.300 0.047 0.000 0.908 58 V CB 1.716 33.567 31.823 0.046 0.000 1.001 58 V HN 1.097 nan 8.190 nan 0.000 0.431 59 G N 1.481 110.298 108.800 0.028 0.000 2.466 59 G HA2 0.728 4.688 3.960 0.001 0.000 0.291 59 G HA3 0.728 4.688 3.960 0.001 0.000 0.291 59 G C -0.790 174.118 174.900 0.014 0.000 1.460 59 G CA 0.133 45.247 45.100 0.023 0.000 0.791 59 G HN 1.139 nan 8.290 nan 0.000 0.505 60 G N -1.221 107.590 108.800 0.019 0.000 2.687 60 G HA2 0.557 4.517 3.960 0.001 0.000 0.291 60 G HA3 0.557 4.517 3.960 0.001 0.000 0.291 60 G C -0.124 174.799 174.900 0.038 0.000 1.420 60 G CA 0.454 45.563 45.100 0.015 0.000 0.796 60 G HN 0.761 nan 8.290 nan 0.000 0.485 61 D N -1.622 118.818 120.400 0.066 0.000 2.349 61 D HA 0.265 4.906 4.640 0.001 0.000 0.224 61 D C 1.635 177.979 176.300 0.073 0.000 1.029 61 D CA 0.876 54.945 54.000 0.115 0.000 0.879 61 D CB 0.069 41.015 40.800 0.242 0.000 0.906 61 D HN 1.608 nan 8.370 nan 0.000 0.528 62 G N 0.980 109.811 108.800 0.052 0.000 2.157 62 G HA2 -0.338 3.622 3.960 0.001 0.000 0.248 62 G HA3 -0.338 3.622 3.960 0.001 0.000 0.248 62 G C 0.387 175.270 174.900 -0.028 0.000 0.979 62 G CA 0.108 45.203 45.100 -0.007 0.000 0.650 62 G HN 0.760 nan 8.290 nan 0.000 0.529 63 R N -0.826 119.723 120.500 0.083 0.000 2.726 63 R HA 0.593 4.934 4.340 0.001 0.000 0.272 63 R C 0.670 177.127 176.300 0.261 0.000 1.097 63 R CA -0.474 55.735 56.100 0.182 0.000 1.198 63 R CB 0.419 31.020 30.300 0.503 0.000 1.114 63 R HN 0.305 nan 8.270 nan 0.000 0.550 64 F N 1.171 121.206 119.950 0.142 0.000 2.628 64 F HA -0.102 4.426 4.527 0.001 0.000 0.362 64 F C 0.874 176.766 175.800 0.153 0.000 1.148 64 F CA 1.424 59.492 58.000 0.113 0.000 1.352 64 F CB 0.072 39.130 39.000 0.097 0.000 1.081 64 F HN 0.794 nan 8.300 nan 0.000 0.605 65 Y N 2.405 122.253 120.300 -0.753 0.000 4.543 65 Y HA -0.488 4.063 4.550 0.001 0.000 0.303 65 Y C 1.747 177.356 175.900 -0.485 0.000 1.054 65 Y CA 1.471 59.144 58.100 -0.712 0.000 1.902 65 Y CB -1.451 36.519 38.460 -0.816 0.000 1.052 65 Y HN 0.694 nan 8.280 nan 0.000 0.448 66 M N 0.170 119.703 119.600 -0.112 0.000 2.080 66 M HA -0.293 4.187 4.480 0.001 0.000 0.260 66 M C 2.054 178.251 176.300 -0.171 0.000 1.068 66 M CA 2.674 58.019 55.300 0.075 0.000 1.109 66 M CB -0.174 32.532 32.600 0.176 0.000 1.342 66 M HN 0.274 nan 8.290 nan 0.000 0.405 67 K N 0.507 120.781 120.400 -0.210 0.000 2.063 67 K HA -0.209 4.112 4.320 0.001 0.000 0.208 67 K C 1.821 178.256 176.600 -0.275 0.000 1.048 67 K CA 1.918 58.086 56.287 -0.198 0.000 0.928 67 K CB -0.302 32.093 32.500 -0.175 0.000 0.713 67 K HN 0.493 nan 8.250 nan 0.000 0.442 68 E N -0.987 118.942 120.200 -0.452 0.000 2.208 68 E HA -0.087 4.264 4.350 0.001 0.000 0.193 68 E C 1.675 177.955 176.600 -0.533 0.000 0.988 68 E CA 0.721 56.835 56.400 -0.477 0.000 0.828 68 E CB -0.000 29.369 29.700 -0.552 0.000 0.763 68 E HN 0.347 nan 8.360 nan 0.000 0.478 69 A N 0.937 123.330 122.820 -0.711 0.000 1.930 69 A HA -0.131 4.190 4.320 0.001 0.000 0.217 69 A C 2.062 179.550 177.584 -0.161 0.000 1.175 69 A CA 0.969 52.753 52.037 -0.422 0.000 0.627 69 A CB -0.446 18.423 19.000 -0.219 0.000 0.815 69 A HN 0.275 nan 8.150 nan 0.000 0.443 70 I N -1.095 119.397 120.570 -0.130 0.000 2.252 70 I HA -0.237 3.934 4.170 0.001 0.000 0.245 70 I C 2.709 178.786 176.117 -0.067 0.000 1.102 70 I CA 1.497 62.760 61.300 -0.061 0.000 1.385 70 I CB -0.290 37.683 38.000 -0.044 0.000 1.064 70 I HN 0.299 nan 8.210 nan 0.000 0.414 71 Q N 1.166 120.905 119.800 -0.101 0.000 2.096 71 Q HA -0.162 4.179 4.340 0.001 0.000 0.204 71 Q C 2.148 178.101 176.000 -0.077 0.000 0.982 71 Q CA 1.779 57.531 55.803 -0.085 0.000 0.850 71 Q CB -0.363 28.316 28.738 -0.099 0.000 0.901 71 Q HN 0.478 nan 8.270 nan 0.000 0.422 72 L N -0.596 120.573 121.223 -0.090 0.000 2.017 72 L HA -0.180 4.160 4.340 0.001 0.000 0.208 72 L C 2.267 179.107 176.870 -0.051 0.000 1.073 72 L CA 1.111 55.914 54.840 -0.060 0.000 0.745 72 L CB -0.495 41.531 42.059 -0.055 0.000 0.894 72 L HN 0.276 nan 8.230 nan 0.000 0.432 73 I N -0.790 119.753 120.570 -0.045 0.000 2.264 73 I HA -0.294 3.876 4.170 0.001 0.000 0.248 73 I C 2.434 178.532 176.117 -0.031 0.000 1.111 73 I CA 1.130 62.409 61.300 -0.035 0.000 1.382 73 I CB -0.366 37.625 38.000 -0.014 0.000 1.060 73 I HN 0.053 nan 8.210 nan 0.000 0.418 74 V N 1.002 120.905 119.914 -0.018 0.000 2.261 74 V HA -0.250 3.870 4.120 0.001 0.000 0.246 74 V C 2.604 178.627 176.094 -0.118 0.000 1.047 74 V CA 1.775 64.081 62.300 0.010 0.000 1.015 74 V CB -0.825 31.009 31.823 0.018 0.000 0.642 74 V HN 0.382 nan 8.190 nan 0.000 0.446 75 R N -0.012 120.418 120.500 -0.117 0.000 2.091 75 R HA -0.105 4.235 4.340 0.001 0.000 0.238 75 R C 2.195 178.409 176.300 -0.145 0.000 1.136 75 R CA 1.774 57.789 56.100 -0.141 0.000 0.959 75 R CB -0.704 29.554 30.300 -0.071 0.000 0.856 75 R HN 0.468 nan 8.270 nan 0.000 0.437 76 I N 0.754 121.268 120.570 -0.094 0.000 2.286 76 I HA -0.154 4.016 4.170 0.001 0.000 0.245 76 I C 2.690 178.726 176.117 -0.134 0.000 1.104 76 I CA 1.004 62.261 61.300 -0.072 0.000 1.397 76 I CB -0.492 37.482 38.000 -0.043 0.000 1.072 76 I HN 0.090 nan 8.210 nan 0.000 0.417 77 A N 0.992 123.718 122.820 -0.157 0.000 1.908 77 A HA -0.181 4.139 4.320 0.001 0.000 0.218 77 A C 2.539 179.906 177.584 -0.361 0.000 1.181 77 A CA 1.984 53.920 52.037 -0.170 0.000 0.627 77 A CB -0.791 18.175 19.000 -0.058 0.000 0.818 77 A HN 0.431 nan 8.150 nan 0.000 0.445 78 A N -0.143 122.256 122.820 -0.701 0.000 1.855 78 A HA 0.191 4.511 4.320 0.001 0.000 0.215 78 A C 2.499 179.793 177.584 -0.483 0.000 1.191 78 A CA 2.030 53.408 52.037 -1.098 0.000 0.613 78 A CB -1.105 17.112 19.000 -1.305 0.000 0.829 78 A HN 1.138 nan 8.150 nan 0.000 0.442 79 A N -0.366 122.270 122.820 -0.308 0.000 2.070 79 A HA -0.137 4.184 4.320 0.001 0.000 0.220 79 A C 1.763 179.277 177.584 -0.116 0.000 1.159 79 A CA 1.417 53.357 52.037 -0.162 0.000 0.656 79 A CB -0.549 18.388 19.000 -0.105 0.000 0.800 79 A HN 0.590 nan 8.150 nan 0.000 0.453 80 N N -1.031 117.594 118.700 -0.125 0.000 2.398 80 N HA 0.102 4.842 4.740 0.001 0.000 0.188 80 N C 1.058 176.532 175.510 -0.060 0.000 1.122 80 N CA 0.893 53.897 53.050 -0.076 0.000 0.866 80 N CB 0.399 38.845 38.487 -0.069 0.000 0.970 80 N HN 0.612 nan 8.380 nan 0.000 0.462 81 G N 0.936 109.689 108.800 -0.078 0.000 2.157 81 G HA2 -0.205 3.755 3.960 0.001 0.000 0.239 81 G HA3 -0.205 3.755 3.960 0.001 0.000 0.239 81 G C 0.063 174.977 174.900 0.023 0.000 0.982 81 G CA -0.486 44.602 45.100 -0.019 0.000 0.650 81 G HN 0.194 nan 8.290 nan 0.000 0.527 82 I N 2.325 122.899 120.570 0.006 0.000 2.581 82 I HA 0.189 4.359 4.170 0.001 0.000 0.285 82 I C 2.046 178.313 176.117 0.251 0.000 1.129 82 I CA 0.996 62.353 61.300 0.096 0.000 1.397 82 I CB 0.114 38.164 38.000 0.083 0.000 1.399 82 I HN 0.131 nan 8.210 nan 0.000 0.537 83 G N 7.522 116.447 108.800 0.209 0.000 2.459 83 G HA2 -0.195 3.765 3.960 0.001 0.000 0.217 83 G HA3 -0.195 3.765 3.960 0.001 0.000 0.217 83 G C 0.936 175.976 174.900 0.234 0.000 1.183 83 G CA 0.373 45.613 45.100 0.232 0.000 0.776 83 G HN 0.591 nan 8.290 nan 0.000 0.552 84 R N -1.127 119.471 120.500 0.163 0.000 2.673 84 R HA 0.579 4.919 4.340 0.001 0.000 0.281 84 R C -1.732 174.614 176.300 0.078 0.000 0.991 84 R CA -0.740 55.381 56.100 0.036 0.000 0.896 84 R CB 1.197 31.496 30.300 -0.002 0.000 1.201 84 R HN 0.084 nan 8.270 nan 0.000 0.457 85 L N 4.568 125.793 121.223 0.004 0.000 2.316 85 L HA 0.428 4.769 4.340 0.001 0.000 0.280 85 L C -0.658 176.219 176.870 0.012 0.000 1.006 85 L CA -1.103 53.773 54.840 0.060 0.000 0.836 85 L CB 2.042 44.182 42.059 0.136 0.000 1.221 85 L HN 0.398 nan 8.230 nan 0.000 0.418 86 V N 5.616 125.546 119.914 0.028 0.000 2.339 86 V HA 0.296 4.416 4.120 0.001 0.000 0.261 86 V C 0.398 176.508 176.094 0.026 0.000 1.058 86 V CA -0.001 62.309 62.300 0.018 0.000 0.897 86 V CB 0.747 32.583 31.823 0.022 0.000 1.052 86 V HN 0.486 nan 8.190 nan 0.000 0.480 87 I N 3.905 124.487 120.570 0.020 0.000 2.392 87 I HA 0.511 4.681 4.170 0.001 0.000 0.295 87 I C 1.171 177.300 176.117 0.019 0.000 0.985 87 I CA -0.388 60.926 61.300 0.023 0.000 1.221 87 I CB 1.568 39.581 38.000 0.022 0.000 1.366 87 I HN 0.615 nan 8.210 nan 0.000 0.467 88 G N 3.857 112.670 108.800 0.023 0.000 2.594 88 G HA2 0.071 4.031 3.960 0.001 0.000 0.243 88 G HA3 0.071 4.031 3.960 0.001 0.000 0.243 88 G C -0.276 174.629 174.900 0.009 0.000 1.229 88 G CA -0.317 44.795 45.100 0.021 0.000 0.843 88 G HN 0.712 nan 8.290 nan 0.000 0.578 89 Q N 0.116 119.915 119.800 -0.002 0.000 2.286 89 Q HA -0.018 4.322 4.340 0.001 0.000 0.290 89 Q C 0.677 176.672 176.000 -0.009 0.000 1.049 89 Q CA 0.680 56.477 55.803 -0.009 0.000 0.923 89 Q CB -0.061 28.665 28.738 -0.019 0.000 1.183 89 Q HN 0.721 nan 8.270 nan 0.000 0.383 90 N N 2.429 121.124 118.700 -0.009 0.000 2.778 90 N HA -0.292 4.449 4.740 0.001 0.000 0.249 90 N C 0.496 175.999 175.510 -0.011 0.000 1.069 90 N CA 0.736 53.778 53.050 -0.013 0.000 0.831 90 N CB -1.134 37.344 38.487 -0.016 0.000 1.142 90 N HN 0.992 nan 8.380 nan 0.000 0.573 91 G N -1.415 107.383 108.800 -0.004 0.000 2.205 91 G HA2 -0.318 3.643 3.960 0.001 0.000 0.261 91 G HA3 -0.318 3.643 3.960 0.001 0.000 0.261 91 G C 0.132 175.041 174.900 0.015 0.000 0.980 91 G CA 0.305 45.406 45.100 0.002 0.000 0.632 91 G HN 0.388 nan 8.290 nan 0.000 0.533 92 I N 0.717 121.297 120.570 0.017 0.000 2.452 92 I HA 0.539 4.709 4.170 0.001 0.000 0.287 92 I C 0.073 176.230 176.117 0.066 0.000 1.079 92 I CA -0.058 61.266 61.300 0.039 0.000 1.387 92 I CB 1.014 39.033 38.000 0.032 0.000 1.404 92 I HN 0.142 nan 8.210 nan 0.000 0.522 93 L N 6.653 127.926 121.223 0.082 0.000 2.737 93 L HA 0.178 4.519 4.340 0.001 0.000 0.261 93 L C 0.174 177.061 176.870 0.028 0.000 0.949 93 L CA -0.140 54.760 54.840 0.099 0.000 0.952 93 L CB 1.634 43.727 42.059 0.057 0.000 1.337 93 L HN 0.685 nan 8.230 nan 0.000 0.430 94 S N 1.622 117.296 115.700 -0.043 0.000 2.579 94 S HA 0.178 4.649 4.470 0.001 0.000 0.275 94 S C 1.110 175.583 174.600 -0.212 0.000 1.345 94 S CA 0.429 58.473 58.200 -0.259 0.000 1.031 94 S CB 0.989 63.750 63.200 -0.732 0.000 0.892 94 S HN 0.704 nan 8.310 nan 0.000 0.529 95 T N 3.629 118.074 114.554 -0.182 0.000 2.665 95 T HA -0.046 4.304 4.350 0.001 0.000 0.268 95 T C -0.920 173.672 174.700 -0.180 0.000 1.035 95 T CA 1.961 63.970 62.100 -0.153 0.000 1.151 95 T CB -1.581 67.205 68.868 -0.137 0.000 0.862 95 T HN 0.642 nan 8.240 nan 0.000 0.438 96 P HA 0.027 nan 4.420 nan 0.000 0.218 96 P C 1.360 178.614 177.300 -0.075 0.000 1.148 96 P CA 1.163 64.172 63.100 -0.151 0.000 0.822 96 P CB -0.206 31.428 31.700 -0.110 0.000 0.784 97 A N -0.512 122.195 122.820 -0.188 0.000 1.897 97 A HA -0.113 4.207 4.320 0.001 0.000 0.215 97 A C 2.307 179.908 177.584 0.028 0.000 1.181 97 A CA 1.582 53.619 52.037 0.000 0.000 0.620 97 A CB -1.638 17.357 19.000 -0.008 0.000 0.821 97 A HN 0.029 nan 8.150 nan 0.000 0.443 98 V N -0.166 119.729 119.914 -0.031 0.000 2.332 98 V HA -0.224 3.896 4.120 0.001 0.000 0.248 98 V C 2.796 178.868 176.094 -0.037 0.000 1.055 98 V CA 2.322 64.609 62.300 -0.022 0.000 1.038 98 V CB -0.874 30.926 31.823 -0.039 0.000 0.651 98 V HN 0.662 nan 8.190 nan 0.000 0.450 99 S N -1.234 114.421 115.700 -0.075 0.000 2.383 99 S HA -0.248 4.223 4.470 0.001 0.000 0.227 99 S C 2.108 176.677 174.600 -0.052 0.000 1.026 99 S CA 1.811 59.950 58.200 -0.102 0.000 0.981 99 S CB -0.602 62.487 63.200 -0.184 0.000 0.818 99 S HN 0.719 nan 8.310 nan 0.000 0.472 100 C N 1.053 120.356 119.300 0.005 0.000 2.453 100 C HA 0.082 4.543 4.460 0.001 0.000 0.277 100 C C 2.423 177.442 174.990 0.047 0.000 1.262 100 C CA 0.808 59.859 59.018 0.056 0.000 1.718 100 C CB -1.579 26.263 27.740 0.170 0.000 2.031 100 C HN 0.706 nan 8.230 nan 0.000 0.480 101 I N 0.727 121.329 120.570 0.054 0.000 2.315 101 I HA -0.155 4.016 4.170 0.001 0.000 0.248 101 I C 2.415 178.545 176.117 0.022 0.000 1.117 101 I CA 1.633 62.959 61.300 0.044 0.000 1.404 101 I CB -0.444 37.586 38.000 0.050 0.000 1.071 101 I HN 0.353 nan 8.210 nan 0.000 0.419 102 I N 0.653 121.227 120.570 0.006 0.000 2.179 102 I HA -0.293 3.877 4.170 0.001 0.000 0.242 102 I C 2.694 178.809 176.117 -0.004 0.000 1.088 102 I CA 1.561 62.858 61.300 -0.004 0.000 1.357 102 I CB -0.389 37.592 38.000 -0.032 0.000 1.051 102 I HN 0.168 nan 8.210 nan 0.000 0.409 103 R N 0.531 121.026 120.500 -0.009 0.000 2.115 103 R HA -0.155 4.185 4.340 0.001 0.000 0.230 103 R C 2.295 178.600 176.300 0.008 0.000 1.111 103 R CA 1.062 57.159 56.100 -0.004 0.000 0.976 103 R CB -0.235 30.060 30.300 -0.009 0.000 0.870 103 R HN 0.301 nan 8.270 nan 0.000 0.445 104 K N 1.624 122.032 120.400 0.013 0.000 2.001 104 K HA -0.083 4.237 4.320 0.001 0.000 0.208 104 K C 1.732 178.342 176.600 0.016 0.000 1.048 104 K CA 1.374 57.671 56.287 0.017 0.000 0.932 104 K CB 0.032 32.546 32.500 0.024 0.000 0.715 104 K HN 0.277 nan 8.250 nan 0.000 0.437 105 I N -2.009 118.572 120.570 0.017 0.000 3.806 105 I HA 0.152 4.322 4.170 0.001 0.000 0.321 105 I C -0.752 175.376 176.117 0.018 0.000 1.315 105 I CA -0.355 60.955 61.300 0.017 0.000 1.148 105 I CB 0.303 38.315 38.000 0.019 0.000 1.028 105 I HN 0.008 nan 8.210 nan 0.000 0.415 106 K N 0.801 121.210 120.400 0.015 0.000 3.077 106 K HA -0.182 4.138 4.320 0.001 0.000 0.264 106 K C 0.392 177.004 176.600 0.019 0.000 1.008 106 K CA 0.915 57.211 56.287 0.015 0.000 0.740 106 K CB -2.290 30.220 32.500 0.016 0.000 1.273 106 K HN 0.703 nan 8.250 nan 0.000 0.477 107 A N 0.413 123.245 122.820 0.019 0.000 2.425 107 A HA 0.293 4.614 4.320 0.001 0.000 0.242 107 A C 1.734 179.336 177.584 0.030 0.000 1.077 107 A CA 0.014 52.069 52.037 0.030 0.000 0.781 107 A CB 0.220 19.239 19.000 0.031 0.000 1.020 107 A HN 0.372 nan 8.150 nan 0.000 0.494 108 I N 0.221 120.822 120.570 0.052 0.000 2.830 108 I HA 0.120 4.291 4.170 0.001 0.000 0.263 108 I C 1.191 177.341 176.117 0.054 0.000 1.230 108 I CA 1.633 62.969 61.300 0.060 0.000 1.480 108 I CB 0.004 38.057 38.000 0.088 0.000 1.095 108 I HN 0.883 nan 8.210 nan 0.000 0.455 109 G N -1.164 107.672 108.800 0.060 0.000 2.317 109 G HA2 0.466 4.426 3.960 0.001 0.000 0.293 109 G HA3 0.466 4.426 3.960 0.001 0.000 0.293 109 G C -1.208 173.743 174.900 0.086 0.000 1.287 109 G CA -0.078 45.017 45.100 -0.008 0.000 0.850 109 G HN 0.227 nan 8.290 nan 0.000 0.515 110 G N -1.142 107.709 108.800 0.084 0.000 2.720 110 G HA2 0.618 4.578 3.960 0.001 0.000 0.295 110 G HA3 0.618 4.578 3.960 0.001 0.000 0.295 110 G C -1.420 173.633 174.900 0.254 0.000 1.437 110 G CA -0.647 44.538 45.100 0.141 0.000 0.886 110 G HN 0.715 nan 8.290 nan 0.000 0.509 111 I N 1.735 122.424 120.570 0.199 0.000 2.354 111 I HA 0.337 4.508 4.170 0.001 0.000 0.286 111 I C -0.342 175.827 176.117 0.086 0.000 1.007 111 I CA -0.565 60.844 61.300 0.181 0.000 1.167 111 I CB 1.533 39.599 38.000 0.110 0.000 1.320 111 I HN 0.213 nan 8.210 nan 0.000 0.458 112 I N 6.906 127.514 120.570 0.063 0.000 2.306 112 I HA 0.185 4.355 4.170 0.001 0.000 0.288 112 I C -0.296 175.795 176.117 -0.044 0.000 1.036 112 I CA -0.742 60.560 61.300 0.003 0.000 1.221 112 I CB 0.793 38.781 38.000 -0.020 0.000 1.385 112 I HN 0.282 nan 8.210 nan 0.000 0.472 113 L N 5.920 127.101 121.223 -0.070 0.000 2.462 113 L HA 0.303 4.643 4.340 0.001 0.000 0.283 113 L C 0.378 177.077 176.870 -0.285 0.000 1.166 113 L CA 0.755 55.463 54.840 -0.219 0.000 0.964 113 L CB -0.812 41.194 42.059 -0.088 0.000 1.294 113 L HN 0.682 nan 8.230 nan 0.000 0.449 114 T N 0.971 115.331 114.554 -0.324 0.000 2.977 114 T HA 0.568 4.918 4.350 0.001 0.000 0.345 114 T C -0.087 174.501 174.700 -0.187 0.000 1.562 114 T CA 0.032 62.009 62.100 -0.205 0.000 1.090 114 T CB 1.419 70.241 68.868 -0.078 0.000 1.383 114 T HN 0.442 nan 8.240 nan 0.000 0.484 115 A N 2.709 125.441 122.820 -0.147 0.000 2.545 115 A HA 0.690 5.010 4.320 0.001 0.000 0.277 115 A C 1.238 178.763 177.584 -0.099 0.000 1.301 115 A CA 1.005 52.970 52.037 -0.120 0.000 0.935 115 A CB -0.994 17.932 19.000 -0.124 0.000 1.093 115 A HN 1.877 nan 8.150 nan 0.000 0.519 116 S N 0.344 116.009 115.700 -0.058 0.000 4.059 116 S HA -0.403 4.068 4.470 0.001 0.000 0.624 116 S C 1.284 175.860 174.600 -0.041 0.000 2.019 116 S CA 2.400 60.607 58.200 0.012 0.000 4.197 116 S CB -1.739 61.549 63.200 0.147 0.000 0.215 116 S HN 1.485 nan 8.310 nan 0.000 0.609 117 H N 1.655 120.638 119.070 -0.146 0.000 2.555 117 H HA 0.391 4.947 4.556 0.001 0.000 0.269 117 H C 0.492 175.652 175.328 -0.281 0.000 0.988 117 H CA 0.350 56.272 56.048 -0.210 0.000 1.178 117 H CB -0.550 29.135 29.762 -0.128 0.000 1.373 117 H HN 0.277 nan 8.280 nan 0.000 0.588 118 N N 3.641 121.997 118.700 -0.572 0.000 2.483 118 N HA 0.076 4.817 4.740 0.001 0.000 0.264 118 N C -2.396 172.820 175.510 -0.490 0.000 1.197 118 N CA -1.800 50.933 53.050 -0.528 0.000 0.927 118 N CB 0.493 38.757 38.487 -0.371 0.000 1.065 118 N HN 0.290 nan 8.380 nan 0.000 0.461 119 P HA 0.044 nan 4.420 nan 0.000 0.267 119 P C 0.293 177.480 177.300 -0.189 0.000 1.201 119 P CA 0.008 62.820 63.100 -0.481 0.000 0.775 119 P CB 0.577 31.935 31.700 -0.571 0.000 0.854 120 G N -0.370 108.457 108.800 0.044 0.000 2.990 120 G HA2 0.695 4.655 3.960 0.001 0.000 0.208 120 G HA3 0.695 4.655 3.960 0.001 0.000 0.208 120 G C -0.026 174.987 174.900 0.188 0.000 1.334 120 G CA -0.428 44.837 45.100 0.276 0.000 1.024 120 G HN 0.832 nan 8.290 nan 0.000 0.574 121 G N -1.384 107.543 108.800 0.211 0.000 2.710 121 G HA2 -0.002 3.958 3.960 0.001 0.000 0.668 121 G HA3 -0.002 3.958 3.960 0.001 0.000 0.668 121 G C -1.754 172.998 174.900 -0.247 0.000 1.320 121 G CA 0.078 45.155 45.100 -0.039 0.000 0.860 121 G HN 0.555 nan 8.290 nan 0.000 0.538 122 P HA -0.011 nan 4.420 nan 0.000 0.218 122 P C 1.169 178.344 177.300 -0.209 0.000 1.149 122 P CA 1.484 64.235 63.100 -0.581 0.000 0.817 122 P CB 0.035 31.374 31.700 -0.601 0.000 0.785 123 N N -1.123 117.484 118.700 -0.154 0.000 2.214 123 N HA 0.110 4.850 4.740 0.001 0.000 0.214 123 N C 1.029 176.511 175.510 -0.047 0.000 1.132 123 N CA 0.139 53.140 53.050 -0.082 0.000 0.856 123 N CB 0.796 39.236 38.487 -0.078 0.000 1.020 123 N HN 0.133 nan 8.380 nan 0.000 0.509 124 G N -0.016 108.770 108.800 -0.024 0.000 2.695 124 G HA2 0.215 4.176 3.960 0.001 0.000 0.213 124 G HA3 0.215 4.176 3.960 0.001 0.000 0.213 124 G C -0.318 174.609 174.900 0.045 0.000 1.406 124 G CA -0.231 44.865 45.100 -0.006 0.000 1.049 124 G HN -0.042 nan 8.290 nan 0.000 0.573 125 D N -1.174 119.260 120.400 0.057 0.000 2.384 125 D HA 0.578 5.219 4.640 0.001 0.000 0.250 125 D C -1.563 174.897 176.300 0.266 0.000 1.029 125 D CA 0.055 54.126 54.000 0.119 0.000 0.990 125 D CB 2.547 43.363 40.800 0.026 0.000 1.175 125 D HN 0.124 nan 8.370 nan 0.000 0.532 126 F N -0.476 119.550 119.950 0.126 0.000 2.596 126 F HA 0.491 5.019 4.527 0.001 0.000 0.311 126 F C -0.651 175.229 175.800 0.133 0.000 1.116 126 F CA -0.287 57.770 58.000 0.095 0.000 0.957 126 F CB 2.105 41.117 39.000 0.019 0.000 1.250 126 F HN 0.334 nan 8.300 nan 0.000 0.444 127 G N 4.927 113.369 108.800 -0.598 0.000 2.612 127 G HA2 0.663 4.623 3.960 0.001 0.000 0.298 127 G HA3 0.663 4.623 3.960 0.001 0.000 0.298 127 G C -1.952 172.727 174.900 -0.369 0.000 1.336 127 G CA -0.792 44.167 45.100 -0.235 0.000 0.953 127 G HN 0.647 nan 8.290 nan 0.000 0.482 128 I N 1.314 121.900 120.570 0.026 0.000 2.420 128 I HA 0.328 4.499 4.170 0.001 0.000 0.282 128 I C -0.031 176.230 176.117 0.239 0.000 1.019 128 I CA -0.595 60.791 61.300 0.145 0.000 1.130 128 I CB 1.805 40.060 38.000 0.424 0.000 1.262 128 I HN 0.267 nan 8.210 nan 0.000 0.454 129 K N 7.440 127.919 120.400 0.132 0.000 2.213 129 K HA 0.411 4.731 4.320 0.001 0.000 0.270 129 K C -1.406 175.327 176.600 0.220 0.000 1.002 129 K CA -0.431 55.952 56.287 0.159 0.000 0.868 129 K CB 1.384 33.922 32.500 0.063 0.000 1.093 129 K HN 0.488 nan 8.250 nan 0.000 0.454 130 F N 4.389 124.368 119.950 0.048 0.000 2.410 130 F HA 0.326 4.854 4.527 0.001 0.000 0.349 130 F C -0.506 175.292 175.800 -0.002 0.000 1.117 130 F CA -0.920 57.083 58.000 0.004 0.000 1.104 130 F CB 0.947 39.933 39.000 -0.023 0.000 1.122 130 F HN 0.584 nan 8.300 nan 0.000 0.483 131 N N 6.067 124.512 118.700 -0.425 0.000 2.456 131 N HA 0.456 5.197 4.740 0.001 0.000 0.296 131 N C -0.476 174.526 175.510 -0.846 0.000 1.102 131 N CA -0.577 52.176 53.050 -0.495 0.000 0.924 131 N CB 1.682 40.022 38.487 -0.244 0.000 1.186 131 N HN 0.580 nan 8.380 nan 0.000 0.492 132 I N -1.793 118.437 120.570 -0.567 0.000 3.514 132 I HA 0.423 4.593 4.170 0.001 0.000 0.300 132 I C 1.588 177.581 176.117 -0.206 0.000 1.194 132 I CA -0.741 60.291 61.300 -0.445 0.000 0.968 132 I CB 0.849 38.671 38.000 -0.296 0.000 1.418 132 I HN 0.540 nan 8.210 nan 0.000 0.614 133 S N 1.470 117.103 115.700 -0.113 0.000 2.407 133 S HA -0.280 4.190 4.470 0.001 0.000 0.235 133 S C 1.428 176.000 174.600 -0.046 0.000 1.036 133 S CA 1.799 59.968 58.200 -0.052 0.000 1.013 133 S CB -1.121 62.068 63.200 -0.019 0.000 0.820 133 S HN 0.934 nan 8.310 nan 0.000 0.476 134 N N 1.386 120.055 118.700 -0.050 0.000 2.461 134 N HA 0.170 4.910 4.740 0.001 0.000 0.188 134 N C 1.351 176.834 175.510 -0.046 0.000 1.134 134 N CA 0.954 53.986 53.050 -0.029 0.000 0.878 134 N CB -0.677 37.807 38.487 -0.006 0.000 0.972 134 N HN 0.766 nan 8.380 nan 0.000 0.456 135 G N -1.640 107.110 108.800 -0.083 0.000 2.225 135 G HA2 -0.203 3.758 3.960 0.001 0.000 0.254 135 G HA3 -0.203 3.758 3.960 0.001 0.000 0.254 135 G C 0.371 175.180 174.900 -0.151 0.000 0.988 135 G CA 0.186 45.220 45.100 -0.109 0.000 0.625 135 G HN 0.813 nan 8.290 nan 0.000 0.527 136 G N 0.199 108.927 108.800 -0.121 0.000 2.547 136 G HA2 0.679 4.640 3.960 0.001 0.000 0.291 136 G HA3 0.679 4.640 3.960 0.001 0.000 0.291 136 G C -2.288 172.529 174.900 -0.139 0.000 1.211 136 G CA -0.834 44.193 45.100 -0.121 0.000 0.950 136 G HN 0.220 nan 8.290 nan 0.000 0.504 137 P HA 0.300 nan 4.420 nan 0.000 0.272 137 P C -0.088 177.151 177.300 -0.101 0.000 1.223 137 P CA -0.168 62.873 63.100 -0.098 0.000 0.784 137 P CB 0.676 32.357 31.700 -0.032 0.000 0.923 138 A N 4.135 126.879 122.820 -0.127 0.000 2.520 138 A HA 0.341 4.661 4.320 0.001 0.000 0.245 138 A C -1.786 175.792 177.584 -0.010 0.000 1.072 138 A CA -0.695 51.288 52.037 -0.091 0.000 0.761 138 A CB -1.285 17.720 19.000 0.007 0.000 1.004 138 A HN 0.423 nan 8.150 nan 0.000 0.499 139 P HA 0.144 nan 4.420 nan 0.000 0.277 139 P C 0.692 178.007 177.300 0.025 0.000 1.271 139 P CA -0.381 62.716 63.100 -0.006 0.000 0.795 139 P CB 0.677 32.369 31.700 -0.014 0.000 1.101 140 E N 0.242 120.452 120.200 0.017 0.000 2.070 140 E HA -0.235 4.115 4.350 0.001 0.000 0.197 140 E C 1.960 178.597 176.600 0.061 0.000 1.004 140 E CA 1.894 58.319 56.400 0.041 0.000 0.805 140 E CB -0.516 29.203 29.700 0.033 0.000 0.744 140 E HN 0.499 nan 8.360 nan 0.000 0.451 141 A N 1.049 123.899 122.820 0.050 0.000 1.986 141 A HA -0.205 4.116 4.320 0.001 0.000 0.220 141 A C 2.014 179.644 177.584 0.076 0.000 1.171 141 A CA 1.301 53.373 52.037 0.059 0.000 0.640 141 A CB -0.349 18.678 19.000 0.044 0.000 0.811 141 A HN 0.183 nan 8.150 nan 0.000 0.451 142 I N 0.028 120.647 120.570 0.082 0.000 2.494 142 I HA -0.108 4.062 4.170 0.001 0.000 0.250 142 I C 2.636 178.842 176.117 0.148 0.000 1.112 142 I CA 1.919 63.288 61.300 0.115 0.000 1.438 142 I CB -1.901 36.172 38.000 0.121 0.000 1.111 142 I HN 0.472 nan 8.210 nan 0.000 0.431 143 T N -0.979 113.662 114.554 0.145 0.000 2.788 143 T HA -0.147 4.203 4.350 0.001 0.000 0.268 143 T C 1.531 176.353 174.700 0.202 0.000 1.044 143 T CA 1.223 63.429 62.100 0.177 0.000 1.139 143 T CB -0.338 68.613 68.868 0.139 0.000 0.867 143 T HN 0.192 nan 8.240 nan 0.000 0.454 144 D N 1.335 121.840 120.400 0.175 0.000 2.117 144 D HA -0.058 4.583 4.640 0.001 0.000 0.197 144 D C 2.106 178.535 176.300 0.215 0.000 0.987 144 D CA 1.016 55.153 54.000 0.228 0.000 0.829 144 D CB -0.222 40.676 40.800 0.164 0.000 0.961 144 D HN 0.428 nan 8.370 nan 0.000 0.460 145 K N 0.674 121.160 120.400 0.144 0.000 2.009 145 K HA -0.138 4.182 4.320 0.001 0.000 0.210 145 K C 2.350 179.011 176.600 0.102 0.000 1.049 145 K CA 0.944 57.292 56.287 0.101 0.000 0.929 145 K CB -0.201 32.348 32.500 0.081 0.000 0.714 145 K HN 0.090 nan 8.250 nan 0.000 0.440 146 I N 0.340 120.985 120.570 0.125 0.000 2.194 146 I HA -0.308 3.862 4.170 0.001 0.000 0.246 146 I C 2.332 178.582 176.117 0.221 0.000 1.093 146 I CA 1.444 62.806 61.300 0.103 0.000 1.355 146 I CB -0.410 37.637 38.000 0.078 0.000 1.046 146 I HN 0.227 nan 8.210 nan 0.000 0.413 147 F N 1.820 121.843 119.950 0.122 0.000 2.102 147 F HA -0.291 4.236 4.527 0.001 0.000 0.298 147 F C 2.826 178.674 175.800 0.080 0.000 1.105 147 F CA 1.292 59.364 58.000 0.120 0.000 1.239 147 F CB -0.047 39.014 39.000 0.101 0.000 0.991 147 F HN 0.053 nan 8.300 nan 0.000 0.474 148 Q N 0.887 120.628 119.800 -0.100 0.000 2.077 148 Q HA -0.227 4.114 4.340 0.001 0.000 0.206 148 Q C 2.314 178.227 176.000 -0.145 0.000 0.989 148 Q CA 2.181 57.859 55.803 -0.207 0.000 0.853 148 Q CB -0.861 27.835 28.738 -0.070 0.000 0.907 148 Q HN 0.571 nan 8.270 nan 0.000 0.418 149 I N 1.222 121.760 120.570 -0.052 0.000 2.252 149 I HA -0.231 3.939 4.170 0.001 0.000 0.245 149 I C 2.505 178.610 176.117 -0.020 0.000 1.102 149 I CA 1.311 62.591 61.300 -0.033 0.000 1.385 149 I CB -0.554 37.435 38.000 -0.019 0.000 1.064 149 I HN 0.181 nan 8.210 nan 0.000 0.414 150 S N 1.833 117.547 115.700 0.024 0.000 2.419 150 S HA -0.225 4.246 4.470 0.001 0.000 0.235 150 S C 1.817 176.439 174.600 0.037 0.000 1.019 150 S CA 1.378 59.628 58.200 0.084 0.000 0.982 150 S CB -0.501 62.848 63.200 0.248 0.000 0.789 150 S HN 0.640 nan 8.310 nan 0.000 0.490 151 K N 0.686 121.035 120.400 -0.085 0.000 2.353 151 K HA 0.125 4.446 4.320 0.001 0.000 0.195 151 K C 1.307 177.855 176.600 -0.087 0.000 1.031 151 K CA 0.816 57.041 56.287 -0.103 0.000 1.079 151 K CB -0.097 32.252 32.500 -0.250 0.000 0.857 151 K HN 0.487 nan 8.250 nan 0.000 0.535 152 T N -1.566 112.943 114.554 -0.075 0.000 3.044 152 T HA 0.246 4.597 4.350 0.001 0.000 0.260 152 T C 0.642 175.329 174.700 -0.021 0.000 1.019 152 T CA -0.586 61.483 62.100 -0.051 0.000 0.921 152 T CB -0.197 68.636 68.868 -0.057 0.000 1.053 152 T HN 0.240 nan 8.240 nan 0.000 0.533 153 I N 2.786 123.354 120.570 -0.003 0.000 2.680 153 I HA 0.062 4.232 4.170 0.001 0.000 0.286 153 I C 0.931 177.069 176.117 0.036 0.000 1.144 153 I CA 0.178 61.493 61.300 0.026 0.000 1.370 153 I CB 0.501 38.532 38.000 0.051 0.000 1.420 153 I HN 0.269 nan 8.210 nan 0.000 0.540 154 E N 5.540 125.755 120.200 0.026 0.000 2.250 154 E HA 0.090 4.441 4.350 0.001 0.000 0.192 154 E C -0.025 176.598 176.600 0.037 0.000 0.986 154 E CA 0.511 56.923 56.400 0.021 0.000 0.849 154 E CB 0.318 30.020 29.700 0.003 0.000 0.797 154 E HN 0.676 nan 8.360 nan 0.000 0.482 155 E N -0.704 119.528 120.200 0.054 0.000 2.449 155 E HA 0.348 4.698 4.350 0.001 0.000 0.278 155 E C -1.656 175.028 176.600 0.139 0.000 0.992 155 E CA -0.935 55.491 56.400 0.045 0.000 0.807 155 E CB 2.187 31.875 29.700 -0.021 0.000 1.350 155 E HN 0.006 nan 8.360 nan 0.000 0.462 156 Y N -1.607 118.689 120.300 -0.006 0.000 2.441 156 Y HA 0.746 5.296 4.550 0.001 0.000 0.334 156 Y C -1.269 174.618 175.900 -0.023 0.000 1.061 156 Y CA -1.169 56.922 58.100 -0.014 0.000 1.032 156 Y CB 0.885 39.343 38.460 -0.004 0.000 1.266 156 Y HN 0.501 nan 8.280 nan 0.000 0.441 157 A N 5.211 128.081 122.820 0.083 0.000 2.331 157 A HA 0.750 5.070 4.320 0.001 0.000 0.283 157 A C -0.861 176.762 177.584 0.065 0.000 1.142 157 A CA -0.622 51.410 52.037 -0.008 0.000 0.812 157 A CB 0.481 19.469 19.000 -0.020 0.000 1.074 157 A HN 0.992 nan 8.150 nan 0.000 0.497 158 I N 1.099 121.670 120.570 0.002 0.000 2.827 158 I HA 0.363 4.533 4.170 0.001 0.000 0.298 158 I C -1.233 174.863 176.117 -0.034 0.000 1.235 158 I CA -0.658 60.660 61.300 0.031 0.000 1.021 158 I CB 1.959 40.052 38.000 0.156 0.000 1.259 158 I HN 0.562 nan 8.210 nan 0.000 0.427 159 C N 8.726 127.988 119.300 -0.064 0.000 2.125 159 C HA 0.282 4.743 4.460 0.001 0.000 0.355 159 C C -0.980 173.982 174.990 -0.048 0.000 1.047 159 C CA -1.059 57.916 59.018 -0.071 0.000 1.501 159 C CB -0.525 27.143 27.740 -0.120 0.000 1.783 159 C HN 0.584 nan 8.230 nan 0.000 0.455 160 P HA -0.183 nan 4.420 nan 0.000 0.217 160 P C 0.872 178.164 177.300 -0.013 0.000 1.151 160 P CA 1.753 64.847 63.100 -0.009 0.000 0.849 160 P CB 0.223 31.921 31.700 -0.003 0.000 0.787 161 D N -0.612 119.781 120.400 -0.012 0.000 2.323 161 D HA -0.001 4.640 4.640 0.001 0.000 0.209 161 D C 1.129 177.425 176.300 -0.007 0.000 0.973 161 D CA 0.047 54.047 54.000 0.001 0.000 0.874 161 D CB -0.141 40.669 40.800 0.018 0.000 0.930 161 D HN 0.237 nan 8.370 nan 0.000 0.521 162 L N 2.266 123.461 121.223 -0.048 0.000 2.597 162 L HA -0.023 4.317 4.340 0.001 0.000 0.271 162 L C 0.159 176.960 176.870 -0.116 0.000 1.157 162 L CA 0.179 54.947 54.840 -0.121 0.000 0.928 162 L CB -0.052 41.866 42.059 -0.235 0.000 1.216 162 L HN -0.115 nan 8.230 nan 0.000 0.481 163 K N 4.122 124.491 120.400 -0.052 0.000 2.559 163 K HA 0.503 4.823 4.320 0.001 0.000 0.249 163 K C -1.181 175.442 176.600 0.037 0.000 0.958 163 K CA -0.867 55.408 56.287 -0.020 0.000 0.901 163 K CB 1.673 34.180 32.500 0.012 0.000 1.124 163 K HN 0.182 nan 8.250 nan 0.000 0.437 164 V N 2.051 121.966 119.914 0.003 0.000 2.607 164 V HA 0.074 4.194 4.120 0.001 0.000 0.289 164 V C 0.076 176.215 176.094 0.075 0.000 1.053 164 V CA -0.476 61.889 62.300 0.108 0.000 0.996 164 V CB 1.365 33.227 31.823 0.066 0.000 0.995 164 V HN 0.819 nan 8.190 nan 0.000 0.476 165 D N 3.334 123.789 120.400 0.091 0.000 2.422 165 D HA 0.161 4.801 4.640 0.001 0.000 0.227 165 D C 0.649 176.967 176.300 0.031 0.000 1.190 165 D CA -0.249 53.779 54.000 0.046 0.000 0.905 165 D CB 1.305 42.130 40.800 0.040 0.000 1.034 165 D HN 0.324 nan 8.370 nan 0.000 0.507 166 L N 3.263 124.494 121.223 0.014 0.000 2.275 166 L HA 0.061 4.402 4.340 0.001 0.000 0.215 166 L C 2.438 179.309 176.870 0.001 0.000 1.119 166 L CA 1.251 56.094 54.840 0.006 0.000 0.790 166 L CB -0.141 41.913 42.059 -0.008 0.000 0.919 166 L HN 0.552 nan 8.230 nan 0.000 0.443 167 G N -1.936 106.864 108.800 -0.001 0.000 2.712 167 G HA2 0.024 3.984 3.960 0.001 0.000 0.212 167 G HA3 0.024 3.984 3.960 0.001 0.000 0.212 167 G C 0.477 175.374 174.900 -0.004 0.000 1.142 167 G CA -0.015 45.082 45.100 -0.006 0.000 0.789 167 G HN 0.091 nan 8.290 nan 0.000 0.535 168 V N 1.546 121.460 119.914 0.000 0.000 2.407 168 V HA 0.387 4.508 4.120 0.001 0.000 0.278 168 V C -0.095 175.996 176.094 -0.005 0.000 1.037 168 V CA -0.972 61.326 62.300 -0.003 0.000 0.900 168 V CB 1.496 33.319 31.823 -0.001 0.000 0.983 168 V HN 0.074 nan 8.190 nan 0.000 0.459 169 L N 5.655 126.873 121.223 -0.009 0.000 2.439 169 L HA 0.734 5.074 4.340 0.001 0.000 0.269 169 L C 0.732 177.593 176.870 -0.015 0.000 1.179 169 L CA 1.856 56.690 54.840 -0.011 0.000 0.828 169 L CB 0.806 42.857 42.059 -0.013 0.000 1.106 169 L HN 0.982 nan 8.230 nan 0.000 0.467 170 G N 2.370 111.160 108.800 -0.017 0.000 2.384 170 G HA2 -0.071 3.890 3.960 0.001 0.000 0.668 170 G HA3 -0.071 3.890 3.960 0.001 0.000 0.668 170 G C -1.135 173.745 174.900 -0.032 0.000 1.280 170 G CA -0.700 44.385 45.100 -0.025 0.000 0.992 170 G HN 0.655 nan 8.290 nan 0.000 0.512 171 K N 0.195 120.567 120.400 -0.047 0.000 2.156 171 K HA 0.590 4.910 4.320 0.001 0.000 0.271 171 K C -0.279 176.263 176.600 -0.097 0.000 0.995 171 K CA -0.335 55.912 56.287 -0.066 0.000 0.890 171 K CB 0.784 33.242 32.500 -0.070 0.000 1.073 171 K HN 0.520 nan 8.250 nan 0.000 0.454 172 Q N 2.855 122.586 119.800 -0.114 0.000 2.325 172 Q HA 0.200 4.541 4.340 0.001 0.000 0.270 172 Q C -1.361 174.399 176.000 -0.401 0.000 1.020 172 Q CA -0.634 55.029 55.803 -0.232 0.000 0.785 172 Q CB 2.497 31.182 28.738 -0.089 0.000 1.259 172 Q HN 0.485 nan 8.270 nan 0.000 0.452 173 Q N 2.118 121.584 119.800 -0.558 0.000 2.316 173 Q HA 0.498 4.838 4.340 0.001 0.000 0.264 173 Q C -1.513 174.090 176.000 -0.662 0.000 0.987 173 Q CA -0.375 55.160 55.803 -0.447 0.000 0.852 173 Q CB 1.153 29.755 28.738 -0.227 0.000 1.287 173 Q HN 0.454 nan 8.270 nan 0.000 0.448 174 F N 1.767 121.739 119.950 0.037 0.000 2.467 174 F HA 0.331 4.859 4.527 0.001 0.000 0.336 174 F C -0.061 175.809 175.800 0.117 0.000 1.123 174 F CA -0.941 57.125 58.000 0.109 0.000 0.964 174 F CB 1.481 40.620 39.000 0.233 0.000 1.136 174 F HN 0.308 nan 8.300 nan 0.000 0.447 175 D N 5.114 125.634 120.400 0.199 0.000 2.295 175 D HA 0.344 4.985 4.640 0.001 0.000 0.248 175 D C -0.243 176.145 176.300 0.146 0.000 1.154 175 D CA -0.067 54.013 54.000 0.134 0.000 0.857 175 D CB 1.791 42.624 40.800 0.055 0.000 1.117 175 D HN 0.339 nan 8.370 nan 0.000 0.468 176 L N 1.229 122.529 121.223 0.128 0.000 2.360 176 L HA 0.257 4.598 4.340 0.001 0.000 0.271 176 L C 0.901 177.806 176.870 0.059 0.000 1.057 176 L CA -0.853 54.038 54.840 0.086 0.000 0.803 176 L CB 0.868 42.965 42.059 0.063 0.000 1.207 176 L HN 0.255 nan 8.230 nan 0.000 0.445 177 E N 2.326 122.550 120.200 0.041 0.000 2.868 177 E HA -0.152 4.198 4.350 0.001 0.000 0.246 177 E C -0.017 176.606 176.600 0.039 0.000 0.962 177 E CA 0.351 56.771 56.400 0.033 0.000 0.955 177 E CB -0.011 29.702 29.700 0.020 0.000 0.903 177 E HN 0.591 nan 8.360 nan 0.000 0.524 178 N N 2.070 120.796 118.700 0.043 0.000 2.765 178 N HA -0.202 4.539 4.740 0.001 0.000 0.248 178 N C -1.060 174.500 175.510 0.083 0.000 1.063 178 N CA 1.111 54.195 53.050 0.056 0.000 0.862 178 N CB -0.603 37.910 38.487 0.045 0.000 1.145 178 N HN 0.406 nan 8.380 nan 0.000 0.581 179 K N 0.237 120.687 120.400 0.084 0.000 2.258 179 K HA 0.187 4.508 4.320 0.001 0.000 0.284 179 K C 1.157 177.856 176.600 0.165 0.000 1.051 179 K CA -0.427 55.931 56.287 0.118 0.000 0.923 179 K CB 0.443 33.001 32.500 0.097 0.000 1.046 179 K HN 0.008 nan 8.250 nan 0.000 0.474 180 F N 2.508 122.477 119.950 0.030 0.000 2.113 180 F HA -0.128 4.400 4.527 0.001 0.000 0.297 180 F C 0.691 176.513 175.800 0.037 0.000 1.103 180 F CA 1.466 59.483 58.000 0.029 0.000 1.248 180 F CB 0.376 39.390 39.000 0.023 0.000 0.999 180 F HN 0.331 nan 8.300 nan 0.000 0.475 181 K N 1.375 121.940 120.400 0.275 0.000 2.143 181 K HA 0.250 4.571 4.320 0.001 0.000 0.272 181 K C -2.333 174.337 176.600 0.116 0.000 1.001 181 K CA -1.982 54.400 56.287 0.159 0.000 0.915 181 K CB 0.569 33.183 32.500 0.190 0.000 1.047 181 K HN -0.036 nan 8.250 nan 0.000 0.458 182 P HA 0.105 nan 4.420 nan 0.000 0.282 182 P C -1.013 176.408 177.300 0.201 0.000 1.249 182 P CA -0.510 62.660 63.100 0.117 0.000 0.806 182 P CB 0.485 32.209 31.700 0.040 0.000 0.984 183 F N 1.878 121.897 119.950 0.116 0.000 2.427 183 F HA 0.349 4.877 4.527 0.001 0.000 0.352 183 F C -0.235 175.680 175.800 0.192 0.000 1.100 183 F CA 0.227 58.314 58.000 0.145 0.000 1.191 183 F CB 0.537 39.632 39.000 0.159 0.000 1.128 183 F HN 0.128 nan 8.300 nan 0.000 0.533 184 T N 6.225 120.500 114.554 -0.465 0.000 2.807 184 T HA 0.526 4.877 4.350 0.001 0.000 0.279 184 T C -0.997 173.346 174.700 -0.594 0.000 0.993 184 T CA -0.516 61.340 62.100 -0.407 0.000 0.970 184 T CB 1.327 70.093 68.868 -0.170 0.000 0.950 184 T HN 0.373 nan 8.240 nan 0.000 0.441 185 V N 3.912 123.615 119.914 -0.352 0.000 2.357 185 V HA 0.387 4.507 4.120 0.001 0.000 0.284 185 V C 0.082 176.123 176.094 -0.089 0.000 1.018 185 V CA -0.674 61.501 62.300 -0.208 0.000 0.841 185 V CB 1.505 33.307 31.823 -0.035 0.000 0.991 185 V HN 0.836 nan 8.190 nan 0.000 0.437 186 E N 4.802 124.962 120.200 -0.067 0.000 2.073 186 E HA 0.446 4.796 4.350 0.001 0.000 0.269 186 E C -0.760 175.832 176.600 -0.014 0.000 0.917 186 E CA -0.405 55.973 56.400 -0.037 0.000 0.757 186 E CB 1.130 30.811 29.700 -0.032 0.000 1.111 186 E HN 0.606 nan 8.360 nan 0.000 0.410 187 I N 4.583 125.148 120.570 -0.008 0.000 2.363 187 I HA 0.120 4.291 4.170 0.001 0.000 0.292 187 I C 0.010 176.125 176.117 -0.003 0.000 1.075 187 I CA -0.345 60.955 61.300 -0.001 0.000 1.333 187 I CB 0.743 38.745 38.000 0.004 0.000 1.415 187 I HN 0.190 nan 8.210 nan 0.000 0.502 188 V N 5.586 125.501 119.914 0.002 0.000 2.716 188 V HA 0.082 4.202 4.120 0.001 0.000 0.304 188 V C 0.115 176.208 176.094 -0.002 0.000 1.053 188 V CA -0.520 61.782 62.300 0.004 0.000 0.984 188 V CB 2.069 33.900 31.823 0.014 0.000 1.021 188 V HN 0.692 nan 8.190 nan 0.000 0.467 189 D N 2.129 122.525 120.400 -0.007 0.000 2.382 189 D HA 0.067 4.707 4.640 0.001 0.000 0.259 189 D C 1.297 177.577 176.300 -0.032 0.000 1.224 189 D CA 0.515 54.501 54.000 -0.023 0.000 0.894 189 D CB 1.086 41.872 40.800 -0.024 0.000 1.127 189 D HN 0.533 nan 8.370 nan 0.000 0.487 190 S N 2.346 118.009 115.700 -0.061 0.000 2.389 190 S HA -0.222 4.248 4.470 0.001 0.000 0.231 190 S C 1.823 176.325 174.600 -0.164 0.000 1.052 190 S CA 1.329 59.481 58.200 -0.081 0.000 1.053 190 S CB -0.180 62.945 63.200 -0.124 0.000 0.886 190 S HN 0.510 nan 8.310 nan 0.000 0.456 191 V N 1.283 121.029 119.914 -0.279 0.000 2.825 191 V HA 0.025 4.145 4.120 0.001 0.000 0.246 191 V C 2.457 178.584 176.094 0.054 0.000 1.068 191 V CA 0.721 62.862 62.300 -0.265 0.000 1.088 191 V CB -0.523 31.075 31.823 -0.375 0.000 0.733 191 V HN 0.367 nan 8.190 nan 0.000 0.468 192 E N 1.654 121.868 120.200 0.023 0.000 2.026 192 E HA -0.336 4.014 4.350 0.001 0.000 0.206 192 E C 2.271 178.919 176.600 0.081 0.000 1.028 192 E CA 2.215 58.644 56.400 0.048 0.000 0.845 192 E CB -0.282 29.430 29.700 0.020 0.000 0.772 192 E HN 0.468 nan 8.360 nan 0.000 0.462 193 A N 0.293 123.168 122.820 0.092 0.000 1.917 193 A HA -0.245 4.075 4.320 0.001 0.000 0.219 193 A C 2.234 179.902 177.584 0.141 0.000 1.182 193 A CA 1.966 54.060 52.037 0.096 0.000 0.633 193 A CB -1.204 17.855 19.000 0.098 0.000 0.819 193 A HN 0.618 nan 8.150 nan 0.000 0.448 194 Y N 0.288 120.653 120.300 0.110 0.000 2.145 194 Y HA -0.063 4.487 4.550 0.000 0.000 0.286 194 Y C 2.627 178.624 175.900 0.163 0.000 1.145 194 Y CA 1.550 59.747 58.100 0.161 0.000 1.148 194 Y CB -0.371 38.252 38.460 0.272 0.000 0.981 194 Y HN 0.314 nan 8.280 nan 0.000 0.507 195 A N -0.611 122.288 122.820 0.131 0.000 1.930 195 A HA -0.160 4.161 4.320 0.001 0.000 0.217 195 A C 2.166 179.706 177.584 -0.074 0.000 1.175 195 A CA 2.096 54.165 52.037 0.053 0.000 0.627 195 A CB -1.284 17.807 19.000 0.152 0.000 0.815 195 A HN 0.518 nan 8.150 nan 0.000 0.443 196 T N -0.219 114.302 114.554 -0.056 0.000 2.788 196 T HA -0.185 4.165 4.350 0.001 0.000 0.268 196 T C 1.916 176.531 174.700 -0.142 0.000 1.044 196 T CA 1.630 63.667 62.100 -0.104 0.000 1.139 196 T CB -0.301 68.537 68.868 -0.049 0.000 0.867 196 T HN 0.550 nan 8.240 nan 0.000 0.454 197 M N 0.652 120.180 119.600 -0.120 0.000 2.067 197 M HA -0.062 4.419 4.480 0.001 0.000 0.260 197 M C 2.014 178.210 176.300 -0.173 0.000 1.069 197 M CA 1.687 56.913 55.300 -0.124 0.000 1.117 197 M CB -0.312 32.238 32.600 -0.084 0.000 1.334 197 M HN 0.211 nan 8.290 nan 0.000 0.407 198 L N -0.402 120.704 121.223 -0.194 0.000 2.046 198 L HA -0.224 4.117 4.340 0.001 0.000 0.208 198 L C 2.658 179.436 176.870 -0.153 0.000 1.077 198 L CA 1.520 56.361 54.840 0.003 0.000 0.747 198 L CB -0.834 41.357 42.059 0.221 0.000 0.896 198 L HN 0.405 nan 8.230 nan 0.000 0.432 199 R N 0.389 120.513 120.500 -0.628 0.000 2.170 199 R HA -0.169 4.171 4.340 0.001 0.000 0.242 199 R C 1.890 177.892 176.300 -0.497 0.000 1.145 199 R CA 1.513 56.934 56.100 -1.133 0.000 0.984 199 R CB -0.080 29.726 30.300 -0.824 0.000 0.869 199 R HN 0.503 nan 8.270 nan 0.000 0.455 200 N N -0.445 118.088 118.700 -0.279 0.000 2.402 200 N HA -0.019 4.721 4.740 0.001 0.000 0.174 200 N C 1.708 177.140 175.510 -0.130 0.000 1.027 200 N CA 0.949 53.905 53.050 -0.156 0.000 0.891 200 N CB 0.156 38.579 38.487 -0.106 0.000 1.016 200 N HN 0.224 nan 8.380 nan 0.000 0.439 201 I N 0.283 120.722 120.570 -0.218 0.000 2.286 201 I HA -0.119 4.052 4.170 0.001 0.000 0.245 201 I C 0.293 176.138 176.117 -0.454 0.000 1.104 201 I CA 1.022 62.077 61.300 -0.408 0.000 1.397 201 I CB -0.013 37.538 38.000 -0.749 0.000 1.072 201 I HN -0.105 nan 8.210 nan 0.000 0.417 202 F N -0.316 119.656 119.950 0.036 0.000 2.518 202 F HA 0.283 4.810 4.527 0.000 0.000 0.338 202 F C 0.424 176.333 175.800 0.183 0.000 1.065 202 F CA -1.012 57.064 58.000 0.126 0.000 1.012 202 F CB 0.362 39.491 39.000 0.215 0.000 1.297 202 F HN -0.266 nan 8.300 nan 0.000 0.489 203 D N 0.664 121.309 120.400 0.409 0.000 2.524 203 D HA 0.166 4.806 4.640 0.001 0.000 0.222 203 D C 0.737 177.245 176.300 0.346 0.000 1.142 203 D CA -0.115 54.055 54.000 0.282 0.000 0.973 203 D CB -0.360 40.541 40.800 0.167 0.000 1.025 203 D HN 0.220 nan 8.370 nan 0.000 0.519 204 F N 1.201 121.186 119.950 0.058 0.000 2.346 204 F HA -0.146 4.381 4.527 0.001 0.000 0.301 204 F C 2.029 177.834 175.800 0.009 0.000 1.070 204 F CA 0.621 58.635 58.000 0.023 0.000 1.407 204 F CB -0.418 38.596 39.000 0.024 0.000 1.072 204 F HN 0.421 nan 8.300 nan 0.000 0.543 205 N N -0.059 118.752 118.700 0.185 0.000 2.173 205 N HA -0.066 4.675 4.740 0.001 0.000 0.184 205 N C 2.165 177.708 175.510 0.056 0.000 1.025 205 N CA 1.267 54.375 53.050 0.097 0.000 0.852 205 N CB -0.439 38.094 38.487 0.078 0.000 0.998 205 N HN 0.251 nan 8.380 nan 0.000 0.427 206 A N 1.576 124.431 122.820 0.058 0.000 1.972 206 A HA -0.029 4.291 4.320 0.001 0.000 0.219 206 A C 2.354 179.929 177.584 -0.015 0.000 1.169 206 A CA 0.838 52.889 52.037 0.023 0.000 0.635 206 A CB -0.580 18.441 19.000 0.035 0.000 0.810 206 A HN 0.168 nan 8.150 nan 0.000 0.446 207 L N -0.949 120.253 121.223 -0.035 0.000 2.072 207 L HA -0.150 4.190 4.340 0.001 0.000 0.205 207 L C 2.549 179.354 176.870 -0.108 0.000 1.079 207 L CA 1.418 56.186 54.840 -0.119 0.000 0.752 207 L CB -0.456 41.461 42.059 -0.237 0.000 0.906 207 L HN 0.345 nan 8.230 nan 0.000 0.436 208 K N 0.047 120.408 120.400 -0.066 0.000 2.063 208 K HA -0.256 4.065 4.320 0.001 0.000 0.208 208 K C 2.047 178.627 176.600 -0.034 0.000 1.048 208 K CA 1.654 57.914 56.287 -0.044 0.000 0.928 208 K CB -0.059 32.439 32.500 -0.002 0.000 0.713 208 K HN 0.118 nan 8.250 nan 0.000 0.442 209 E N 1.160 121.347 120.200 -0.022 0.000 2.051 209 E HA -0.152 4.198 4.350 0.001 0.000 0.192 209 E C 1.823 178.404 176.600 -0.033 0.000 0.991 209 E CA 0.792 57.181 56.400 -0.019 0.000 0.799 209 E CB -0.135 29.559 29.700 -0.010 0.000 0.748 209 E HN 0.132 nan 8.360 nan 0.000 0.449 210 L N 0.167 121.361 121.223 -0.048 0.000 2.017 210 L HA -0.179 4.162 4.340 0.001 0.000 0.208 210 L C 2.038 178.868 176.870 -0.066 0.000 1.073 210 L CA 1.634 56.436 54.840 -0.063 0.000 0.745 210 L CB -0.344 41.661 42.059 -0.090 0.000 0.894 210 L HN 0.304 nan 8.230 nan 0.000 0.432 211 L N -0.970 120.208 121.223 -0.076 0.000 2.249 211 L HA -0.059 4.281 4.340 0.001 0.000 0.207 211 L C 2.234 179.081 176.870 -0.039 0.000 1.090 211 L CA 1.154 55.954 54.840 -0.066 0.000 0.802 211 L CB -0.222 41.783 42.059 -0.089 0.000 0.947 211 L HN 0.338 nan 8.230 nan 0.000 0.453 212 S N -1.328 114.352 115.700 -0.033 0.000 2.603 212 S HA 0.217 4.687 4.470 0.001 0.000 0.232 212 S C 1.060 175.652 174.600 -0.014 0.000 1.016 212 S CA -0.020 58.168 58.200 -0.019 0.000 0.976 212 S CB 0.098 63.288 63.200 -0.016 0.000 0.921 212 S HN 0.209 nan 8.310 nan 0.000 0.516 213 G N 2.860 111.650 108.800 -0.017 0.000 2.590 213 G HA2 0.370 4.331 3.960 0.001 0.000 0.276 213 G HA3 0.370 4.331 3.960 0.001 0.000 0.276 213 G C -1.184 173.710 174.900 -0.010 0.000 1.337 213 G CA -0.651 44.441 45.100 -0.012 0.000 1.030 213 G HN 0.267 nan 8.290 nan 0.000 0.534 214 P HA -0.051 nan 4.420 nan 0.000 0.213 214 P C 0.716 178.010 177.300 -0.011 0.000 1.169 214 P CA 0.887 63.982 63.100 -0.008 0.000 0.885 214 P CB -0.122 31.574 31.700 -0.007 0.000 0.779 215 N N 1.439 120.132 118.700 -0.012 0.000 3.091 215 N HA 0.018 4.758 4.740 0.001 0.000 0.301 215 N C 0.379 175.879 175.510 -0.017 0.000 1.325 215 N CA -0.248 52.794 53.050 -0.014 0.000 1.143 215 N CB -0.965 37.515 38.487 -0.013 0.000 1.450 215 N HN 0.325 nan 8.380 nan 0.000 0.542 216 R N -0.985 119.505 120.500 -0.017 0.000 2.649 216 R HA 0.396 4.737 4.340 0.001 0.000 0.270 216 R C -0.440 175.848 176.300 -0.020 0.000 1.105 216 R CA -0.878 55.210 56.100 -0.021 0.000 1.193 216 R CB 0.401 30.690 30.300 -0.018 0.000 1.120 216 R HN 0.116 nan 8.270 nan 0.000 0.561 217 L N 1.457 122.664 121.223 -0.027 0.000 2.290 217 L HA 0.251 4.592 4.340 0.001 0.000 0.284 217 L C -0.672 176.201 176.870 0.005 0.000 1.078 217 L CA 0.050 54.877 54.840 -0.021 0.000 0.815 217 L CB 0.955 42.984 42.059 -0.050 0.000 1.162 217 L HN 0.583 nan 8.230 nan 0.000 0.435 218 K N 6.979 127.400 120.400 0.034 0.000 2.263 218 K HA 0.395 4.715 4.320 0.001 0.000 0.282 218 K C -0.354 176.347 176.600 0.169 0.000 1.089 218 K CA -0.113 56.227 56.287 0.088 0.000 0.907 218 K CB 0.421 32.961 32.500 0.066 0.000 1.148 218 K HN 0.600 nan 8.250 nan 0.000 0.470 219 I N -0.936 119.717 120.570 0.139 0.000 2.918 219 I HA 0.630 4.800 4.170 0.001 0.000 0.316 219 I C -0.344 175.793 176.117 0.035 0.000 1.001 219 I CA -1.041 60.349 61.300 0.150 0.000 1.142 219 I CB 1.487 39.583 38.000 0.160 0.000 1.356 219 I HN 0.316 nan 8.210 nan 0.000 0.524 220 R N 4.514 124.976 120.500 -0.063 0.000 2.569 220 R HA 0.498 4.838 4.340 0.001 0.000 0.293 220 R C -2.033 174.197 176.300 -0.117 0.000 1.186 220 R CA -0.458 55.513 56.100 -0.215 0.000 0.956 220 R CB 0.658 30.608 30.300 -0.585 0.000 1.196 220 R HN 0.677 nan 8.270 nan 0.000 0.444 221 I N 3.379 123.930 120.570 -0.031 0.000 2.330 221 I HA 0.286 4.456 4.170 0.001 0.000 0.289 221 I C -0.255 175.880 176.117 0.031 0.000 1.001 221 I CA -0.560 60.761 61.300 0.035 0.000 1.193 221 I CB 1.497 39.603 38.000 0.177 0.000 1.345 221 I HN 0.601 nan 8.210 nan 0.000 0.461 222 D N 5.884 126.269 120.400 -0.025 0.000 2.396 222 D HA 0.357 4.998 4.640 0.001 0.000 0.225 222 D C 0.710 177.068 176.300 0.097 0.000 1.121 222 D CA -0.169 53.819 54.000 -0.021 0.000 0.853 222 D CB 1.747 42.491 40.800 -0.094 0.000 1.043 222 D HN 0.642 nan 8.370 nan 0.000 0.500 223 A N 4.034 126.936 122.820 0.136 0.000 2.259 223 A HA 0.042 4.362 4.320 0.001 0.000 0.208 223 A C 1.484 179.130 177.584 0.103 0.000 1.201 223 A CA 0.055 52.222 52.037 0.216 0.000 0.824 223 A CB -0.552 18.521 19.000 0.122 0.000 0.838 223 A HN 0.845 nan 8.150 nan 0.000 0.485 224 M N -2.288 117.288 119.600 -0.041 0.000 2.703 224 M HA -0.333 4.147 4.480 0.001 0.000 0.186 224 M C 0.287 176.583 176.300 -0.006 0.000 0.582 224 M CA 1.340 56.588 55.300 -0.087 0.000 0.578 224 M CB -2.410 30.225 32.600 0.060 0.000 2.115 224 M HN 0.817 nan 8.290 nan 0.000 0.611 225 H N -3.840 115.326 119.070 0.159 0.000 2.992 225 H HA -0.059 4.497 4.556 0.001 0.000 0.266 225 H C 0.940 176.333 175.328 0.110 0.000 1.200 225 H CA 0.565 56.682 56.048 0.115 0.000 1.135 225 H CB -1.840 27.986 29.762 0.107 0.000 1.282 225 H HN 0.784 nan 8.280 nan 0.000 0.351 226 G N -0.664 108.299 108.800 0.272 0.000 2.671 226 G HA2 0.378 4.338 3.960 0.001 0.000 0.275 226 G HA3 0.378 4.338 3.960 0.001 0.000 0.275 226 G C 0.832 175.827 174.900 0.158 0.000 1.368 226 G CA -0.109 45.187 45.100 0.327 0.000 1.044 226 G HN 0.148 nan 8.290 nan 0.000 0.543 227 V N -0.544 119.467 119.914 0.162 0.000 2.913 227 V HA -0.075 4.045 4.120 0.001 0.000 0.260 227 V C 2.627 178.757 176.094 0.060 0.000 1.098 227 V CA 1.187 63.541 62.300 0.090 0.000 1.121 227 V CB -0.033 31.829 31.823 0.064 0.000 0.714 227 V HN 0.324 nan 8.190 nan 0.000 0.487 228 V N 0.549 120.438 119.914 -0.043 0.000 3.380 228 V HA 0.002 4.122 4.120 0.001 0.000 0.268 228 V C 2.337 178.429 176.094 -0.004 0.000 1.168 228 V CA 1.284 63.478 62.300 -0.177 0.000 1.156 228 V CB -0.518 31.032 31.823 -0.455 0.000 0.785 228 V HN 0.648 nan 8.190 nan 0.000 0.487 229 G N 1.591 110.430 108.800 0.065 0.000 2.545 229 G HA2 -0.213 3.747 3.960 0.001 0.000 0.217 229 G HA3 -0.213 3.747 3.960 0.001 0.000 0.217 229 G C 0.021 174.973 174.900 0.086 0.000 1.218 229 G CA 1.230 46.374 45.100 0.074 0.000 0.787 229 G HN 0.542 nan 8.290 nan 0.000 0.571 230 P HA -0.147 nan 4.420 nan 0.000 0.216 230 P C 1.117 178.405 177.300 -0.020 0.000 1.150 230 P CA 1.225 64.323 63.100 -0.002 0.000 0.837 230 P CB -0.214 31.438 31.700 -0.081 0.000 0.786 231 Y N -0.343 119.935 120.300 -0.038 0.000 2.242 231 Y HA -0.120 4.431 4.550 0.001 0.000 0.291 231 Y C 2.609 178.509 175.900 0.001 0.000 1.137 231 Y CA 0.765 58.859 58.100 -0.010 0.000 1.181 231 Y CB -1.565 36.848 38.460 -0.079 0.000 0.989 231 Y HN -0.245 nan 8.280 nan 0.000 0.527 232 V N 0.127 120.110 119.914 0.115 0.000 2.358 232 V HA -0.248 3.872 4.120 0.001 0.000 0.246 232 V C 2.291 178.420 176.094 0.058 0.000 1.047 232 V CA 1.594 63.934 62.300 0.067 0.000 1.035 232 V CB -0.445 31.412 31.823 0.057 0.000 0.658 232 V HN 0.312 nan 8.190 nan 0.000 0.452 233 K N 0.458 120.886 120.400 0.047 0.000 1.985 233 K HA -0.152 4.168 4.320 0.001 0.000 0.210 233 K C 2.207 178.821 176.600 0.025 0.000 1.047 233 K CA 1.390 57.694 56.287 0.029 0.000 0.932 233 K CB -0.421 32.090 32.500 0.019 0.000 0.716 233 K HN 0.394 nan 8.250 nan 0.000 0.439 234 K N 0.560 120.971 120.400 0.018 0.000 2.057 234 K HA -0.087 4.234 4.320 0.001 0.000 0.207 234 K C 2.345 178.979 176.600 0.057 0.000 1.049 234 K CA 1.239 57.539 56.287 0.022 0.000 0.931 234 K CB -0.181 32.315 32.500 -0.007 0.000 0.714 234 K HN 0.159 nan 8.250 nan 0.000 0.440 235 I N 0.487 121.109 120.570 0.086 0.000 2.270 235 I HA -0.203 3.967 4.170 0.001 0.000 0.239 235 I C 2.337 178.447 176.117 -0.012 0.000 1.080 235 I CA 0.772 62.131 61.300 0.097 0.000 1.383 235 I CB -0.216 37.888 38.000 0.173 0.000 1.097 235 I HN -0.002 nan 8.210 nan 0.000 0.420 236 L N -0.041 121.171 121.223 -0.019 0.000 2.072 236 L HA -0.177 4.163 4.340 0.001 0.000 0.205 236 L C 2.532 179.379 176.870 -0.038 0.000 1.079 236 L CA 1.188 55.990 54.840 -0.062 0.000 0.752 236 L CB -0.364 41.681 42.059 -0.024 0.000 0.906 236 L HN 0.422 nan 8.230 nan 0.000 0.436 237 C N -0.811 118.486 119.300 -0.006 0.000 2.631 237 C HA -0.036 4.425 4.460 0.001 0.000 0.283 237 C C 2.599 177.590 174.990 0.001 0.000 1.295 237 C CA -0.023 58.995 59.018 -0.001 0.000 1.697 237 C CB -0.540 27.206 27.740 0.011 0.000 2.128 237 C HN 0.460 nan 8.230 nan 0.000 0.503 238 E N 1.000 121.207 120.200 0.011 0.000 2.001 238 E HA -0.257 4.093 4.350 0.001 0.000 0.195 238 E C 2.117 178.731 176.600 0.024 0.000 1.002 238 E CA 1.485 57.895 56.400 0.018 0.000 0.819 238 E CB -0.284 29.429 29.700 0.022 0.000 0.769 238 E HN 0.635 nan 8.360 nan 0.000 0.454 239 E N 0.583 120.807 120.200 0.040 0.000 2.046 239 E HA -0.122 4.228 4.350 0.001 0.000 0.190 239 E C 2.192 178.810 176.600 0.030 0.000 0.982 239 E CA 0.515 56.955 56.400 0.068 0.000 0.800 239 E CB 0.074 29.864 29.700 0.151 0.000 0.756 239 E HN 0.150 nan 8.360 nan 0.000 0.449 240 L N -0.808 120.388 121.223 -0.045 0.000 2.291 240 L HA 0.059 4.399 4.340 0.001 0.000 0.214 240 L C 1.643 178.476 176.870 -0.061 0.000 1.120 240 L CA 0.811 55.585 54.840 -0.110 0.000 0.799 240 L CB 0.003 41.917 42.059 -0.241 0.000 0.925 240 L HN 0.540 nan 8.230 nan 0.000 0.446 241 G N -0.543 108.236 108.800 -0.035 0.000 2.179 241 G HA2 -0.215 3.746 3.960 0.001 0.000 0.220 241 G HA3 -0.215 3.746 3.960 0.001 0.000 0.220 241 G C 0.363 175.250 174.900 -0.021 0.000 0.990 241 G CA -0.119 44.969 45.100 -0.020 0.000 0.646 241 G HN 0.477 nan 8.290 nan 0.000 0.517 242 A N 1.319 124.121 122.820 -0.029 0.000 2.477 242 A HA 0.640 4.961 4.320 0.001 0.000 0.246 242 A C -1.221 176.364 177.584 0.001 0.000 1.078 242 A CA -0.544 51.483 52.037 -0.016 0.000 0.770 242 A CB 0.118 19.107 19.000 -0.019 0.000 1.011 242 A HN 0.221 nan 8.150 nan 0.000 0.494 243 P HA 0.086 nan 4.420 nan 0.000 0.266 243 P C 0.852 178.164 177.300 0.019 0.000 1.195 243 P CA 0.694 63.803 63.100 0.016 0.000 0.768 243 P CB 0.668 32.381 31.700 0.022 0.000 0.838 244 A N 4.063 126.894 122.820 0.018 0.000 2.032 244 A HA -0.247 4.074 4.320 0.001 0.000 0.221 244 A C 1.676 179.274 177.584 0.024 0.000 1.165 244 A CA 1.931 53.981 52.037 0.020 0.000 0.645 244 A CB -1.237 17.774 19.000 0.019 0.000 0.807 244 A HN 0.715 nan 8.150 nan 0.000 0.453 245 N N -0.032 118.685 118.700 0.028 0.000 2.571 245 N HA -0.029 4.712 4.740 0.001 0.000 0.189 245 N C 1.164 176.689 175.510 0.026 0.000 1.154 245 N CA 1.301 54.370 53.050 0.031 0.000 0.907 245 N CB -0.663 37.850 38.487 0.043 0.000 0.977 245 N HN 0.319 nan 8.380 nan 0.000 0.449 246 S N 0.251 115.966 115.700 0.025 0.000 2.371 246 S HA 0.142 4.612 4.470 0.001 0.000 0.224 246 S C 1.055 175.659 174.600 0.007 0.000 1.029 246 S CA 0.593 58.801 58.200 0.014 0.000 0.978 246 S CB -0.184 63.032 63.200 0.026 0.000 0.833 246 S HN 0.636 nan 8.310 nan 0.000 0.466 247 A N 2.274 125.108 122.820 0.023 0.000 2.527 247 A HA 0.552 4.873 4.320 0.001 0.000 0.313 247 A C -0.231 177.367 177.584 0.023 0.000 1.410 247 A CA -0.220 51.838 52.037 0.035 0.000 1.060 247 A CB 0.006 19.032 19.000 0.043 0.000 1.137 247 A HN 0.211 nan 8.150 nan 0.000 0.542 248 V N 3.910 123.827 119.914 0.006 0.000 2.539 248 V HA 0.297 4.417 4.120 0.001 0.000 0.292 248 V C 0.543 176.626 176.094 -0.018 0.000 1.045 248 V CA -0.215 62.082 62.300 -0.006 0.000 0.945 248 V CB 0.713 32.517 31.823 -0.032 0.000 0.993 248 V HN 1.018 nan 8.190 nan 0.000 0.464 249 N N 2.846 121.540 118.700 -0.010 0.000 2.741 249 N HA -0.189 4.552 4.740 0.001 0.000 0.251 249 N C 0.603 176.114 175.510 0.002 0.000 1.112 249 N CA 1.197 54.213 53.050 -0.058 0.000 0.750 249 N CB -1.613 36.650 38.487 -0.373 0.000 1.119 249 N HN 0.741 nan 8.380 nan 0.000 0.561 250 C N 1.175 120.501 119.300 0.043 0.000 2.340 250 C HA 0.216 4.676 4.460 0.001 0.000 0.375 250 C C 1.020 176.052 174.990 0.070 0.000 1.306 250 C CA -0.175 58.878 59.018 0.057 0.000 1.622 250 C CB -1.391 26.381 27.740 0.052 0.000 1.719 250 C HN 0.102 nan 8.230 nan 0.000 0.592 251 V N 2.264 122.239 119.914 0.103 0.000 2.409 251 V HA 0.289 4.409 4.120 0.001 0.000 0.290 251 V C -2.389 173.754 176.094 0.082 0.000 1.017 251 V CA -1.559 60.791 62.300 0.082 0.000 0.841 251 V CB 1.717 33.584 31.823 0.073 0.000 1.003 251 V HN 0.120 nan 8.190 nan 0.000 0.426 252 P HA 0.166 nan 4.420 nan 0.000 0.261 252 P C -0.749 176.490 177.300 -0.102 0.000 1.203 252 P CA 0.384 63.458 63.100 -0.044 0.000 0.767 252 P CB 0.273 31.946 31.700 -0.046 0.000 0.785 253 L N 3.328 124.441 121.223 -0.183 0.000 2.307 253 L HA 0.285 4.625 4.340 0.001 0.000 0.284 253 L C 1.589 178.263 176.870 -0.326 0.000 1.023 253 L CA -0.586 54.138 54.840 -0.194 0.000 0.810 253 L CB 1.398 43.354 42.059 -0.173 0.000 1.231 253 L HN 0.351 nan 8.230 nan 0.000 0.423 254 E N 1.281 121.379 120.200 -0.170 0.000 2.273 254 E HA -0.222 4.128 4.350 0.001 0.000 0.198 254 E C 0.390 176.967 176.600 -0.038 0.000 1.002 254 E CA 1.420 57.768 56.400 -0.086 0.000 0.828 254 E CB 0.102 29.864 29.700 0.104 0.000 0.747 254 E HN 0.687 nan 8.360 nan 0.000 0.491 255 D N -1.068 119.299 120.400 -0.055 0.000 2.431 255 D HA -0.052 4.588 4.640 0.001 0.000 0.213 255 D C -0.020 176.414 176.300 0.224 0.000 1.130 255 D CA -0.464 53.594 54.000 0.096 0.000 0.834 255 D CB -0.282 40.529 40.800 0.018 0.000 0.985 255 D HN 0.062 nan 8.370 nan 0.000 0.504 256 F N 1.190 121.177 119.950 0.061 0.000 3.084 256 F HA -0.141 4.386 4.527 0.001 0.000 0.286 256 F C 1.489 177.376 175.800 0.146 0.000 0.855 256 F CA 0.745 58.826 58.000 0.135 0.000 1.091 256 F CB -1.991 37.083 39.000 0.123 0.000 1.177 256 F HN 0.317 nan 8.300 nan 0.000 0.542 257 G N -0.674 108.135 108.800 0.014 0.000 2.273 257 G HA2 0.181 4.142 3.960 0.001 0.000 0.280 257 G HA3 0.181 4.142 3.960 0.001 0.000 0.280 257 G C 1.167 176.080 174.900 0.021 0.000 1.047 257 G CA 0.818 45.863 45.100 -0.092 0.000 0.869 257 G HN 2.200 nan 8.290 nan 0.000 0.502 258 G N -1.692 107.088 108.800 -0.034 0.000 2.283 258 G HA2 -0.136 3.824 3.960 0.001 0.000 0.280 258 G HA3 -0.136 3.824 3.960 0.001 0.000 0.280 258 G C 0.124 174.755 174.900 -0.448 0.000 1.029 258 G CA 1.389 46.372 45.100 -0.195 0.000 0.840 258 G HN 1.585 nan 8.290 nan 0.000 0.505 259 H N -1.787 117.414 119.070 0.218 0.000 2.985 259 H HA 0.546 5.102 4.556 0.001 0.000 0.360 259 H C -0.231 175.229 175.328 0.221 0.000 1.221 259 H CA -0.864 55.339 56.048 0.258 0.000 1.121 259 H CB 1.202 31.114 29.762 0.249 0.000 1.854 259 H HN 0.374 nan 8.280 nan 0.000 0.551 260 H N 2.462 121.536 119.070 0.006 0.000 2.652 260 H HA 0.126 4.683 4.556 0.001 0.000 0.298 260 H C -2.148 172.985 175.328 -0.325 0.000 1.076 260 H CA -2.070 53.768 56.048 -0.349 0.000 1.360 260 H CB 1.146 30.362 29.762 -0.909 0.000 1.421 260 H HN 0.341 nan 8.280 nan 0.000 0.464 261 P HA 0.021 nan 4.420 nan 0.000 0.249 261 P C -0.748 176.492 177.300 -0.100 0.000 1.737 261 P CA 0.210 63.253 63.100 -0.094 0.000 1.128 261 P CB -0.227 31.379 31.700 -0.157 0.000 1.942 262 D N 3.139 123.458 120.400 -0.136 0.000 2.686 262 D HA 0.225 4.866 4.640 0.001 0.000 0.249 262 D C -2.379 173.827 176.300 -0.156 0.000 1.260 262 D CA -2.477 51.451 54.000 -0.120 0.000 0.910 262 D CB 1.518 42.239 40.800 -0.130 0.000 1.323 262 D HN 0.031 nan 8.370 nan 0.000 0.561 263 P HA 0.082 nan 4.420 nan 0.000 0.240 263 P C -1.213 175.559 177.300 -0.880 0.000 1.594 263 P CA 0.028 62.836 63.100 -0.486 0.000 1.184 263 P CB -0.714 30.705 31.700 -0.468 0.000 1.915 264 N N -0.023 118.420 118.700 -0.428 0.000 2.277 264 N HA 0.171 4.912 4.740 0.001 0.000 0.286 264 N C 0.745 176.189 175.510 -0.111 0.000 1.140 264 N CA -1.046 51.813 53.050 -0.318 0.000 0.799 264 N CB 0.538 38.938 38.487 -0.144 0.000 1.596 264 N HN -0.195 nan 8.380 nan 0.000 0.473 265 L N -0.660 120.513 121.223 -0.083 0.000 2.211 265 L HA -0.252 4.088 4.340 0.001 0.000 0.216 265 L C 1.711 178.511 176.870 -0.116 0.000 1.092 265 L CA 2.158 56.932 54.840 -0.111 0.000 0.767 265 L CB -1.013 40.925 42.059 -0.200 0.000 0.894 265 L HN 0.906 nan 8.230 nan 0.000 0.437 266 T N -5.641 108.828 114.554 -0.140 0.000 3.021 266 T HA -0.060 4.290 4.350 0.001 0.000 0.245 266 T C 1.728 176.337 174.700 -0.152 0.000 1.028 266 T CA 0.133 62.120 62.100 -0.188 0.000 1.139 266 T CB -0.422 68.269 68.868 -0.294 0.000 0.884 266 T HN 0.067 nan 8.240 nan 0.000 0.457 267 Y N 2.418 122.657 120.300 -0.101 0.000 2.293 267 Y HA 0.451 5.001 4.550 0.001 0.000 0.291 267 Y C 2.386 178.234 175.900 -0.088 0.000 1.137 267 Y CA 0.096 58.147 58.100 -0.081 0.000 1.202 267 Y CB -0.332 38.087 38.460 -0.069 0.000 0.990 267 Y HN 0.394 nan 8.280 nan 0.000 0.537 268 A N -0.737 122.109 122.820 0.044 0.000 3.003 268 A HA 0.618 4.938 4.320 0.001 0.000 0.301 268 A C 1.799 179.347 177.584 -0.061 0.000 1.280 268 A CA 0.413 52.426 52.037 -0.039 0.000 0.973 268 A CB -0.865 18.083 19.000 -0.086 0.000 1.110 268 A HN 0.248 nan 8.150 nan 0.000 0.590 269 A N -0.116 122.671 122.820 -0.055 0.000 2.019 269 A HA -0.152 4.168 4.320 0.001 0.000 0.219 269 A C 1.742 179.292 177.584 -0.056 0.000 1.164 269 A CA 1.637 53.637 52.037 -0.062 0.000 0.644 269 A CB -0.292 18.670 19.000 -0.063 0.000 0.805 269 A HN 0.558 nan 8.150 nan 0.000 0.449 270 D N -0.160 120.202 120.400 -0.064 0.000 2.104 270 D HA -0.158 4.482 4.640 0.001 0.000 0.194 270 D C 1.930 178.195 176.300 -0.058 0.000 0.994 270 D CA 1.233 55.198 54.000 -0.058 0.000 0.830 270 D CB -0.172 40.585 40.800 -0.072 0.000 0.959 270 D HN 0.432 nan 8.370 nan 0.000 0.452 271 L N 1.006 122.182 121.223 -0.079 0.000 2.012 271 L HA -0.194 4.146 4.340 0.001 0.000 0.210 271 L C 2.569 179.398 176.870 -0.068 0.000 1.073 271 L CA 1.022 55.806 54.840 -0.093 0.000 0.748 271 L CB -0.227 41.757 42.059 -0.125 0.000 0.891 271 L HN -0.059 nan 8.230 nan 0.000 0.431 272 V N -0.232 119.648 119.914 -0.056 0.000 2.332 272 V HA -0.345 3.775 4.120 0.001 0.000 0.248 272 V C 2.396 178.483 176.094 -0.010 0.000 1.055 272 V CA 2.228 64.509 62.300 -0.031 0.000 1.038 272 V CB -0.689 31.113 31.823 -0.035 0.000 0.651 272 V HN 0.543 nan 8.190 nan 0.000 0.450 273 E N 0.091 120.282 120.200 -0.015 0.000 2.077 273 E HA -0.207 4.143 4.350 0.001 0.000 0.193 273 E C 2.223 178.835 176.600 0.020 0.000 0.989 273 E CA 1.708 58.109 56.400 0.002 0.000 0.800 273 E CB -0.132 29.565 29.700 -0.005 0.000 0.746 273 E HN 0.616 nan 8.360 nan 0.000 0.452 274 T N 0.782 115.342 114.554 0.011 0.000 2.881 274 T HA -0.112 4.239 4.350 0.001 0.000 0.270 274 T C 1.598 176.352 174.700 0.089 0.000 1.068 274 T CA 1.009 63.135 62.100 0.043 0.000 1.131 274 T CB -0.004 68.859 68.868 -0.009 0.000 0.871 274 T HN 0.189 nan 8.240 nan 0.000 0.479 275 M N 0.666 120.295 119.600 0.049 0.000 2.388 275 M HA 0.121 4.602 4.480 0.001 0.000 0.265 275 M C 2.035 178.390 176.300 0.092 0.000 1.088 275 M CA 0.926 56.268 55.300 0.070 0.000 1.134 275 M CB -0.634 31.977 32.600 0.018 0.000 1.384 275 M HN 0.095 nan 8.290 nan 0.000 0.447 276 K N 0.888 121.342 120.400 0.091 0.000 2.103 276 K HA -0.088 4.232 4.320 0.001 0.000 0.207 276 K C 1.976 178.670 176.600 0.158 0.000 1.048 276 K CA 1.805 58.167 56.287 0.125 0.000 0.930 276 K CB -1.056 31.489 32.500 0.075 0.000 0.716 276 K HN 0.479 nan 8.250 nan 0.000 0.444 277 S N -0.014 115.749 115.700 0.104 0.000 2.440 277 S HA -0.118 4.353 4.470 0.001 0.000 0.240 277 S C 1.635 176.289 174.600 0.090 0.000 1.014 277 S CA 1.410 59.661 58.200 0.085 0.000 0.980 277 S CB -0.623 62.608 63.200 0.051 0.000 0.775 277 S HN 0.503 nan 8.310 nan 0.000 0.499 278 G N 0.656 109.490 108.800 0.058 0.000 2.179 278 G HA2 -0.297 3.664 3.960 0.001 0.000 0.260 278 G HA3 -0.297 3.664 3.960 0.001 0.000 0.260 278 G C 0.632 175.428 174.900 -0.173 0.000 0.977 278 G CA 0.469 45.480 45.100 -0.149 0.000 0.641 278 G HN 0.495 nan 8.290 nan 0.000 0.533 279 E N 0.098 120.197 120.200 -0.168 0.000 2.152 279 E HA -0.023 4.327 4.350 0.001 0.000 0.192 279 E C 0.636 176.944 176.600 -0.486 0.000 0.983 279 E CA 0.885 57.082 56.400 -0.338 0.000 0.818 279 E CB 0.076 29.504 29.700 -0.453 0.000 0.758 279 E HN 0.799 nan 8.360 nan 0.000 0.467 280 H N -1.064 117.968 119.070 -0.064 0.000 2.533 280 H HA 0.196 4.753 4.556 0.001 0.000 0.343 280 H C -0.117 175.174 175.328 -0.062 0.000 1.160 280 H CA -0.471 55.549 56.048 -0.046 0.000 1.218 280 H CB 1.468 31.215 29.762 -0.026 0.000 1.566 280 H HN -0.130 nan 8.280 nan 0.000 0.522 281 D N 0.103 120.560 120.400 0.094 0.000 2.327 281 D HA 0.072 4.713 4.640 0.001 0.000 0.205 281 D C -0.650 175.727 176.300 0.129 0.000 0.989 281 D CA 0.469 54.499 54.000 0.051 0.000 0.873 281 D CB 0.731 41.553 40.800 0.036 0.000 0.955 281 D HN 0.244 nan 8.370 nan 0.000 0.515 282 F N 0.117 120.040 119.950 -0.045 0.000 2.581 282 F HA 0.608 5.135 4.527 0.000 0.000 0.311 282 F C -0.692 175.045 175.800 -0.106 0.000 1.113 282 F CA -0.727 57.212 58.000 -0.101 0.000 0.935 282 F CB 1.852 40.786 39.000 -0.110 0.000 1.232 282 F HN -0.137 nan 8.300 nan 0.000 0.445 283 G N 2.664 111.040 108.800 -0.707 0.000 2.571 283 G HA2 0.830 4.791 3.960 0.001 0.000 0.304 283 G HA3 0.830 4.791 3.960 0.001 0.000 0.304 283 G C -2.162 172.266 174.900 -0.786 0.000 1.314 283 G CA -0.611 44.169 45.100 -0.533 0.000 0.975 283 G HN 1.136 nan 8.290 nan 0.000 0.485 284 A N -0.288 122.235 122.820 -0.496 0.000 2.547 284 A HA 0.940 5.260 4.320 0.001 0.000 0.297 284 A C -0.476 176.792 177.584 -0.527 0.000 1.056 284 A CA 0.022 51.735 52.037 -0.539 0.000 0.688 284 A CB 1.491 20.209 19.000 -0.470 0.000 1.282 284 A HN 2.185 nan 8.150 nan 0.000 0.400 285 A N 1.075 123.533 122.820 -0.604 0.000 2.380 285 A HA 0.968 5.289 4.320 0.001 0.000 0.315 285 A C -1.004 176.165 177.584 -0.691 0.000 1.101 285 A CA -0.438 51.297 52.037 -0.504 0.000 0.771 285 A CB 0.709 19.534 19.000 -0.291 0.000 1.287 285 A HN 0.875 nan 8.150 nan 0.000 0.436 286 F N 0.083 120.005 119.950 -0.046 0.000 2.679 286 F HA 0.506 5.033 4.527 0.001 0.000 0.341 286 F C 0.372 176.152 175.800 -0.033 0.000 1.095 286 F CA -0.460 57.526 58.000 -0.023 0.000 1.004 286 F CB 1.559 40.561 39.000 0.002 0.000 1.388 286 F HN 0.717 nan 8.300 nan 0.000 0.505 287 D N -0.351 120.187 120.400 0.231 0.000 2.569 287 D HA 0.301 4.942 4.640 0.001 0.000 0.266 287 D C 1.057 177.412 176.300 0.092 0.000 1.164 287 D CA -0.340 53.717 54.000 0.095 0.000 1.071 287 D CB 0.370 41.205 40.800 0.057 0.000 1.183 287 D HN 0.566 nan 8.370 nan 0.000 0.613 288 G N 0.040 108.845 108.800 0.008 0.000 2.545 288 G HA2 -0.291 3.670 3.960 0.001 0.000 0.217 288 G HA3 -0.291 3.670 3.960 0.001 0.000 0.217 288 G C 0.834 175.807 174.900 0.121 0.000 1.218 288 G CA 1.621 46.740 45.100 0.032 0.000 0.787 288 G HN 0.713 nan 8.290 nan 0.000 0.571 289 D N -0.632 119.789 120.400 0.034 0.000 2.328 289 D HA 0.282 4.922 4.640 0.001 0.000 0.226 289 D C 1.630 177.877 176.300 -0.089 0.000 1.066 289 D CA 0.569 54.560 54.000 -0.015 0.000 0.861 289 D CB -0.541 40.237 40.800 -0.037 0.000 0.912 289 D HN 0.638 nan 8.370 nan 0.000 0.521 290 G N 1.660 110.431 108.800 -0.047 0.000 2.160 290 G HA2 -0.311 3.649 3.960 0.001 0.000 0.251 290 G HA3 -0.311 3.649 3.960 0.001 0.000 0.251 290 G C 0.534 175.409 174.900 -0.041 0.000 1.008 290 G CA 0.474 45.513 45.100 -0.101 0.000 0.724 290 G HN 0.578 nan 8.290 nan 0.000 0.514 291 D N -0.712 119.691 120.400 0.005 0.000 2.363 291 D HA 0.138 4.778 4.640 0.001 0.000 0.214 291 D C 0.868 177.240 176.300 0.120 0.000 1.093 291 D CA 0.041 54.056 54.000 0.025 0.000 0.837 291 D CB 0.252 41.018 40.800 -0.058 0.000 0.948 291 D HN 0.545 nan 8.370 nan 0.000 0.507 292 R N 0.034 120.640 120.500 0.177 0.000 2.808 292 R HA 0.437 4.778 4.340 0.001 0.000 0.272 292 R C -0.773 175.687 176.300 0.268 0.000 0.995 292 R CA -0.834 55.396 56.100 0.216 0.000 0.917 292 R CB 1.774 32.169 30.300 0.158 0.000 1.217 292 R HN 0.128 nan 8.270 nan 0.000 0.471 293 N N 1.535 120.381 118.700 0.243 0.000 2.396 293 N HA 0.232 4.972 4.740 0.001 0.000 0.275 293 N C -1.371 174.204 175.510 0.109 0.000 1.218 293 N CA -0.797 52.304 53.050 0.086 0.000 0.812 293 N CB 2.351 40.928 38.487 0.150 0.000 1.592 293 N HN 0.451 nan 8.380 nan 0.000 0.480 294 M N 2.417 121.941 119.600 -0.126 0.000 2.043 294 M HA 0.368 4.849 4.480 0.001 0.000 0.322 294 M C -1.432 174.758 176.300 -0.182 0.000 0.962 294 M CA -0.769 54.530 55.300 -0.002 0.000 0.927 294 M CB 0.555 33.060 32.600 -0.159 0.000 1.466 294 M HN 0.449 nan 8.290 nan 0.000 0.412 295 I N 6.427 126.882 120.570 -0.192 0.000 2.352 295 I HA 0.330 4.501 4.170 0.001 0.000 0.290 295 I C -0.397 175.429 176.117 -0.484 0.000 1.036 295 I CA -0.299 60.714 61.300 -0.478 0.000 1.336 295 I CB 0.575 38.248 38.000 -0.545 0.000 1.407 295 I HN 0.746 nan 8.210 nan 0.000 0.497 296 L N 5.321 126.201 121.223 -0.572 0.000 2.346 296 L HA 0.724 5.064 4.340 0.001 0.000 0.274 296 L C 0.683 177.324 176.870 -0.382 0.000 1.007 296 L CA -0.509 54.122 54.840 -0.348 0.000 0.818 296 L CB 2.170 44.098 42.059 -0.218 0.000 1.284 296 L HN 0.671 nan 8.230 nan 0.000 0.424 297 G N 0.892 109.633 108.800 -0.098 0.000 2.795 297 G HA2 0.354 4.314 3.960 0.001 0.000 0.267 297 G HA3 0.354 4.314 3.960 0.001 0.000 0.267 297 G C -0.886 174.030 174.900 0.025 0.000 1.362 297 G CA -0.629 44.461 45.100 -0.017 0.000 1.048 297 G HN 0.500 nan 8.290 nan 0.000 0.547 298 K N -0.670 119.728 120.400 -0.003 0.000 2.440 298 K HA 0.076 4.396 4.320 0.001 0.000 0.270 298 K C 0.352 176.970 176.600 0.030 0.000 0.980 298 K CA 0.016 56.261 56.287 -0.070 0.000 0.953 298 K CB 0.052 32.449 32.500 -0.173 0.000 0.925 298 K HN 0.653 nan 8.250 nan 0.000 0.497 299 H N 0.643 119.751 119.070 0.063 0.000 3.141 299 H HA -0.223 4.334 4.556 0.001 0.000 0.260 299 H C 0.887 176.269 175.328 0.090 0.000 1.132 299 H CA 1.418 57.508 56.048 0.070 0.000 1.171 299 H CB -1.448 28.355 29.762 0.069 0.000 1.274 299 H HN 1.014 nan 8.280 nan 0.000 0.329 300 G N -0.351 108.556 108.800 0.179 0.000 2.195 300 G HA2 -0.300 3.660 3.960 0.001 0.000 0.224 300 G HA3 -0.300 3.660 3.960 0.001 0.000 0.224 300 G C 0.225 175.236 174.900 0.185 0.000 0.990 300 G CA 0.010 45.194 45.100 0.140 0.000 0.639 300 G HN 0.464 nan 8.290 nan 0.000 0.514 301 F N 2.627 122.629 119.950 0.086 0.000 2.408 301 F HA 0.375 4.903 4.527 0.000 0.000 0.361 301 F C 0.697 176.553 175.800 0.093 0.000 1.108 301 F CA -0.701 57.357 58.000 0.098 0.000 0.982 301 F CB -0.398 38.639 39.000 0.061 0.000 0.980 301 F HN 0.219 nan 8.300 nan 0.000 0.557 302 F N 6.935 126.694 119.950 -0.318 0.000 2.506 302 F HA 0.373 4.900 4.527 0.000 0.000 0.371 302 F C -0.745 174.840 175.800 -0.359 0.000 1.078 302 F CA -0.623 57.223 58.000 -0.256 0.000 1.195 302 F CB 0.349 39.266 39.000 -0.138 0.000 1.099 302 F HN 0.055 nan 8.300 nan 0.000 0.548 303 V N 7.517 126.964 119.914 -0.780 0.000 2.353 303 V HA 0.073 4.193 4.120 0.001 0.000 0.264 303 V C 0.420 175.938 176.094 -0.959 0.000 1.049 303 V CA -0.911 60.999 62.300 -0.649 0.000 0.896 303 V CB 0.480 32.093 31.823 -0.351 0.000 1.025 303 V HN 0.775 nan 8.190 nan 0.000 0.475 304 N N 7.244 125.466 118.700 -0.798 0.000 2.412 304 N HA 0.048 4.788 4.740 0.001 0.000 0.258 304 N C -1.548 173.763 175.510 -0.330 0.000 1.236 304 N CA -1.050 51.670 53.050 -0.550 0.000 0.882 304 N CB 1.886 40.314 38.487 -0.099 0.000 1.066 304 N HN 0.265 nan 8.380 nan 0.000 0.465 305 P HA -0.090 nan 4.420 nan 0.000 0.217 305 P C 1.043 178.212 177.300 -0.218 0.000 1.148 305 P CA 1.167 64.101 63.100 -0.276 0.000 0.828 305 P CB 0.284 31.710 31.700 -0.457 0.000 0.783 306 S N -0.833 114.702 115.700 -0.274 0.000 2.387 306 S HA -0.111 4.359 4.470 0.001 0.000 0.226 306 S C 1.535 176.013 174.600 -0.204 0.000 1.026 306 S CA 1.287 59.300 58.200 -0.311 0.000 0.972 306 S CB -0.874 61.993 63.200 -0.555 0.000 0.814 306 S HN 0.184 nan 8.310 nan 0.000 0.477 307 D N 0.790 121.112 120.400 -0.129 0.000 2.178 307 D HA -0.006 4.634 4.640 0.001 0.000 0.202 307 D C 2.082 178.312 176.300 -0.118 0.000 0.974 307 D CA 0.635 54.598 54.000 -0.063 0.000 0.841 307 D CB -0.418 40.431 40.800 0.082 0.000 0.953 307 D HN 0.251 nan 8.370 nan 0.000 0.478 308 S N -0.228 115.440 115.700 -0.052 0.000 2.370 308 S HA -0.134 4.336 4.470 0.001 0.000 0.226 308 S C 2.029 176.570 174.600 -0.098 0.000 1.033 308 S CA 0.913 59.140 58.200 0.046 0.000 1.011 308 S CB -0.287 63.029 63.200 0.195 0.000 0.852 308 S HN 0.134 nan 8.310 nan 0.000 0.457 309 V N 1.439 121.273 119.914 -0.134 0.000 2.626 309 V HA 0.008 4.128 4.120 0.001 0.000 0.252 309 V C 2.372 178.275 176.094 -0.319 0.000 1.067 309 V CA 1.852 64.031 62.300 -0.202 0.000 1.081 309 V CB -0.809 30.894 31.823 -0.199 0.000 0.686 309 V HN 0.567 nan 8.190 nan 0.000 0.468 310 A N -0.799 121.837 122.820 -0.306 0.000 1.970 310 A HA -0.041 4.279 4.320 0.001 0.000 0.216 310 A C 2.264 179.613 177.584 -0.391 0.000 1.170 310 A CA 1.670 53.506 52.037 -0.335 0.000 0.645 310 A CB -0.441 18.417 19.000 -0.237 0.000 0.816 310 A HN 0.417 nan 8.150 nan 0.000 0.447 311 V N 0.396 120.008 119.914 -0.502 0.000 2.270 311 V HA -0.250 3.870 4.120 0.001 0.000 0.245 311 V C 2.417 178.253 176.094 -0.430 0.000 1.043 311 V CA 2.014 64.005 62.300 -0.515 0.000 1.014 311 V CB -0.738 30.751 31.823 -0.556 0.000 0.645 311 V HN 0.566 nan 8.190 nan 0.000 0.447 312 I N 0.770 121.057 120.570 -0.471 0.000 2.163 312 I HA -0.266 3.904 4.170 0.001 0.000 0.243 312 I C 2.698 178.600 176.117 -0.358 0.000 1.085 312 I CA 1.678 62.737 61.300 -0.402 0.000 1.347 312 I CB -0.682 37.132 38.000 -0.309 0.000 1.044 312 I HN 0.288 nan 8.210 nan 0.000 0.408 313 A N 0.683 123.237 122.820 -0.442 0.000 1.978 313 A HA -0.148 4.172 4.320 0.001 0.000 0.220 313 A C 2.471 179.911 177.584 -0.240 0.000 1.170 313 A CA 1.871 53.583 52.037 -0.542 0.000 0.636 313 A CB -0.744 17.671 19.000 -0.974 0.000 0.810 313 A HN 0.464 nan 8.150 nan 0.000 0.448 314 A N -0.637 122.087 122.820 -0.160 0.000 2.066 314 A HA -0.020 4.300 4.320 0.001 0.000 0.218 314 A C 1.335 178.941 177.584 0.036 0.000 1.157 314 A CA 1.047 53.104 52.037 0.034 0.000 0.670 314 A CB -0.222 18.909 19.000 0.217 0.000 0.804 314 A HN 0.573 nan 8.150 nan 0.000 0.453 315 N N -0.688 117.969 118.700 -0.072 0.000 2.416 315 N HA 0.134 4.875 4.740 0.001 0.000 0.267 315 N C 0.682 176.132 175.510 -0.099 0.000 1.294 315 N CA -0.075 52.943 53.050 -0.054 0.000 0.891 315 N CB 0.670 39.099 38.487 -0.097 0.000 1.238 315 N HN 0.381 nan 8.380 nan 0.000 0.508 316 I N 0.119 120.567 120.570 -0.204 0.000 2.264 316 I HA -0.157 4.014 4.170 0.001 0.000 0.248 316 I C 1.215 177.197 176.117 -0.224 0.000 1.111 316 I CA 1.637 62.723 61.300 -0.357 0.000 1.382 316 I CB -0.084 37.552 38.000 -0.607 0.000 1.060 316 I HN 0.046 nan 8.210 nan 0.000 0.418 317 F N 0.046 120.050 119.950 0.090 0.000 2.802 317 F HA -0.040 4.487 4.527 0.000 0.000 0.300 317 F C 2.365 178.232 175.800 0.112 0.000 1.168 317 F CA 0.518 58.593 58.000 0.126 0.000 1.433 317 F CB -0.480 38.573 39.000 0.088 0.000 1.115 317 F HN 0.192 nan 8.300 nan 0.000 0.582 318 S N -0.329 115.493 115.700 0.203 0.000 2.603 318 S HA 0.136 4.607 4.470 0.001 0.000 0.220 318 S C 0.435 175.135 174.600 0.167 0.000 0.967 318 S CA -0.034 58.257 58.200 0.150 0.000 0.920 318 S CB -0.616 62.632 63.200 0.080 0.000 0.773 318 S HN 0.249 nan 8.310 nan 0.000 0.529 319 I N 2.621 123.329 120.570 0.230 0.000 2.312 319 I HA 0.308 4.478 4.170 0.001 0.000 0.290 319 I C -1.709 174.538 176.117 0.217 0.000 1.008 319 I CA -2.712 58.735 61.300 0.244 0.000 1.226 319 I CB 1.852 40.056 38.000 0.339 0.000 1.371 319 I HN -0.077 nan 8.210 nan 0.000 0.468 320 P HA -0.297 nan 4.420 nan 0.000 0.219 320 P C 1.502 178.841 177.300 0.065 0.000 1.158 320 P CA 1.710 64.867 63.100 0.094 0.000 0.895 320 P CB -0.005 31.734 31.700 0.065 0.000 0.792 321 Y N -0.325 119.858 120.300 -0.195 0.000 2.040 321 Y HA -0.269 4.281 4.550 0.000 0.000 0.275 321 Y C 2.288 178.039 175.900 -0.247 0.000 1.171 321 Y CA 1.758 59.663 58.100 -0.326 0.000 1.123 321 Y CB -1.360 36.730 38.460 -0.617 0.000 0.963 321 Y HN -0.155 nan 8.280 nan 0.000 0.493 322 F N 0.252 120.280 119.950 0.130 0.000 2.171 322 F HA -0.250 4.277 4.527 0.001 0.000 0.300 322 F C 2.555 178.475 175.800 0.200 0.000 1.090 322 F CA 1.592 59.634 58.000 0.071 0.000 1.293 322 F CB -0.608 38.442 39.000 0.084 0.000 1.013 322 F HN 0.127 nan 8.300 nan 0.000 0.486 323 Q N -0.016 120.012 119.800 0.380 0.000 2.096 323 Q HA -0.271 4.070 4.340 0.001 0.000 0.204 323 Q C 2.129 178.192 176.000 0.105 0.000 0.982 323 Q CA 1.831 57.802 55.803 0.280 0.000 0.850 323 Q CB -0.272 28.574 28.738 0.180 0.000 0.901 323 Q HN 0.539 nan 8.270 nan 0.000 0.422 324 Q N -0.975 118.842 119.800 0.027 0.000 2.123 324 Q HA -0.044 4.297 4.340 0.001 0.000 0.196 324 Q C 1.918 177.872 176.000 -0.078 0.000 0.958 324 Q CA 1.333 57.117 55.803 -0.032 0.000 0.841 324 Q CB 0.189 28.899 28.738 -0.048 0.000 0.915 324 Q HN 0.158 nan 8.270 nan 0.000 0.455 325 T N -0.717 113.723 114.554 -0.190 0.000 3.081 325 T HA 0.243 4.593 4.350 0.001 0.000 0.255 325 T C 0.450 175.110 174.700 -0.066 0.000 1.113 325 T CA 0.727 62.691 62.100 -0.226 0.000 1.082 325 T CB -0.310 68.207 68.868 -0.585 0.000 0.939 325 T HN 0.545 nan 8.240 nan 0.000 0.506 326 G N 0.342 109.181 108.800 0.065 0.000 2.731 326 G HA2 -0.171 3.790 3.960 0.001 0.000 0.686 326 G HA3 -0.171 3.790 3.960 0.001 0.000 0.686 326 G C -0.588 174.443 174.900 0.218 0.000 1.395 326 G CA -0.502 44.708 45.100 0.183 0.000 0.870 326 G HN 0.410 nan 8.290 nan 0.000 0.591 327 V N 2.927 122.977 119.914 0.227 0.000 2.339 327 V HA 0.282 4.402 4.120 0.001 0.000 0.261 327 V C 1.661 177.759 176.094 0.006 0.000 1.058 327 V CA -0.033 62.314 62.300 0.077 0.000 0.897 327 V CB 1.015 32.762 31.823 -0.126 0.000 1.052 327 V HN 0.759 nan 8.190 nan 0.000 0.480 328 R N 2.683 123.217 120.500 0.057 0.000 2.235 328 R HA 0.298 4.638 4.340 0.001 0.000 0.213 328 R C 0.922 177.243 176.300 0.036 0.000 1.059 328 R CA 0.705 56.835 56.100 0.050 0.000 0.997 328 R CB 0.037 30.389 30.300 0.087 0.000 0.884 328 R HN 0.921 nan 8.270 nan 0.000 0.462 329 G N -2.048 106.742 108.800 -0.016 0.000 2.340 329 G HA2 0.306 4.267 3.960 0.001 0.000 0.300 329 G HA3 0.306 4.267 3.960 0.001 0.000 0.300 329 G C -1.695 173.273 174.900 0.114 0.000 1.488 329 G CA -0.978 44.124 45.100 0.004 0.000 0.878 329 G HN -0.080 nan 8.290 nan 0.000 0.618 330 F N 0.282 120.277 119.950 0.076 0.000 2.538 330 F HA 0.934 5.461 4.527 0.000 0.000 0.325 330 F C 0.650 176.519 175.800 0.115 0.000 1.066 330 F CA -0.887 57.128 58.000 0.025 0.000 0.946 330 F CB 2.240 41.204 39.000 -0.060 0.000 1.199 330 F HN 0.994 nan 8.300 nan 0.000 0.473 331 A N 2.810 125.771 122.820 0.235 0.000 2.572 331 A HA 0.926 5.247 4.320 0.001 0.000 0.295 331 A C -1.155 176.457 177.584 0.046 0.000 1.072 331 A CA -0.901 51.267 52.037 0.217 0.000 0.691 331 A CB 2.307 21.488 19.000 0.302 0.000 1.291 331 A HN 0.886 nan 8.150 nan 0.000 0.404 332 R N -0.136 120.459 120.500 0.158 0.000 2.707 332 R HA 0.729 5.069 4.340 0.001 0.000 0.272 332 R C -0.368 176.046 176.300 0.189 0.000 1.011 332 R CA -0.074 56.086 56.100 0.100 0.000 0.893 332 R CB 1.313 31.590 30.300 -0.037 0.000 1.233 332 R HN 1.002 nan 8.270 nan 0.000 0.464 333 S N 2.180 117.996 115.700 0.193 0.000 2.579 333 S HA 0.019 4.489 4.470 0.001 0.000 0.275 333 S C 1.264 175.749 174.600 -0.191 0.000 1.345 333 S CA -0.768 57.427 58.200 -0.010 0.000 1.031 333 S CB 0.953 64.156 63.200 0.005 0.000 0.892 333 S HN 0.816 nan 8.310 nan 0.000 0.529 334 M N 1.518 120.899 119.600 -0.365 0.000 2.082 334 M HA -0.049 4.431 4.480 0.001 0.000 0.258 334 M C -1.164 174.885 176.300 -0.418 0.000 1.069 334 M CA 1.838 56.815 55.300 -0.538 0.000 1.102 334 M CB -2.286 29.674 32.600 -1.066 0.000 1.336 334 M HN 0.520 nan 8.290 nan 0.000 0.404 335 P HA -0.002 nan 4.420 nan 0.000 0.226 335 P C 0.062 177.187 177.300 -0.293 0.000 1.153 335 P CA 0.668 63.403 63.100 -0.609 0.000 0.777 335 P CB -0.365 30.617 31.700 -1.197 0.000 0.794 336 T N 0.724 115.115 114.554 -0.271 0.000 2.930 336 T HA 0.144 4.494 4.350 0.001 0.000 0.306 336 T C 0.690 175.148 174.700 -0.404 0.000 1.045 336 T CA -0.056 61.829 62.100 -0.358 0.000 1.134 336 T CB 0.072 68.794 68.868 -0.244 0.000 0.961 336 T HN 0.116 nan 8.240 nan 0.000 0.545 337 S N 2.429 117.671 115.700 -0.764 0.000 2.550 337 S HA 0.077 4.548 4.470 0.001 0.000 0.285 337 S C 1.642 176.140 174.600 -0.169 0.000 1.326 337 S CA -0.172 57.781 58.200 -0.412 0.000 1.037 337 S CB 0.378 63.289 63.200 -0.482 0.000 0.838 337 S HN 0.889 nan 8.310 nan 0.000 0.519 338 G N 1.361 110.138 108.800 -0.038 0.000 2.882 338 G HA2 0.295 4.256 3.960 0.001 0.000 0.206 338 G HA3 0.295 4.256 3.960 0.001 0.000 0.206 338 G C 1.332 176.219 174.900 -0.021 0.000 1.155 338 G CA 0.356 45.440 45.100 -0.026 0.000 0.800 338 G HN 1.135 nan 8.290 nan 0.000 0.524 339 A N 0.700 123.507 122.820 -0.022 0.000 1.908 339 A HA -0.066 4.254 4.320 0.001 0.000 0.218 339 A C 2.233 179.765 177.584 -0.088 0.000 1.181 339 A CA 1.554 53.596 52.037 0.010 0.000 0.627 339 A CB -0.313 18.693 19.000 0.011 0.000 0.818 339 A HN 0.474 nan 8.150 nan 0.000 0.445 340 L N 0.350 121.487 121.223 -0.143 0.000 2.131 340 L HA -0.152 4.188 4.340 0.001 0.000 0.210 340 L C 1.548 178.334 176.870 -0.140 0.000 1.092 340 L CA 2.593 57.315 54.840 -0.196 0.000 0.759 340 L CB -0.764 41.168 42.059 -0.211 0.000 0.903 340 L HN 0.445 nan 8.230 nan 0.000 0.435 341 D N -1.060 119.287 120.400 -0.089 0.000 2.117 341 D HA -0.158 4.482 4.640 0.001 0.000 0.197 341 D C 2.131 178.399 176.300 -0.053 0.000 0.987 341 D CA 0.940 54.910 54.000 -0.051 0.000 0.829 341 D CB -0.093 40.679 40.800 -0.047 0.000 0.961 341 D HN 0.196 nan 8.370 nan 0.000 0.460 342 R N 0.599 121.053 120.500 -0.076 0.000 2.083 342 R HA -0.089 4.251 4.340 0.001 0.000 0.237 342 R C 2.345 178.581 176.300 -0.107 0.000 1.137 342 R CA 0.641 56.719 56.100 -0.037 0.000 0.951 342 R CB -1.100 29.212 30.300 0.019 0.000 0.851 342 R HN 0.232 nan 8.270 nan 0.000 0.434 343 V N 1.316 120.995 119.914 -0.392 0.000 2.244 343 V HA -0.201 3.919 4.120 0.001 0.000 0.244 343 V C 2.591 178.688 176.094 0.005 0.000 1.042 343 V CA 1.916 63.979 62.300 -0.396 0.000 1.006 343 V CB -1.004 30.525 31.823 -0.489 0.000 0.641 343 V HN 0.344 nan 8.190 nan 0.000 0.446 344 A N 0.251 123.123 122.820 0.087 0.000 2.024 344 A HA -0.287 4.034 4.320 0.001 0.000 0.220 344 A C 1.985 179.613 177.584 0.072 0.000 1.164 344 A CA 2.441 54.594 52.037 0.195 0.000 0.643 344 A CB -0.873 18.259 19.000 0.219 0.000 0.806 344 A HN 0.744 nan 8.150 nan 0.000 0.451 345 N N -0.268 118.463 118.700 0.051 0.000 2.250 345 N HA 0.094 4.834 4.740 0.001 0.000 0.181 345 N C 1.935 177.488 175.510 0.072 0.000 1.017 345 N CA 0.887 53.962 53.050 0.042 0.000 0.866 345 N CB -0.219 38.285 38.487 0.030 0.000 0.985 345 N HN 0.462 nan 8.380 nan 0.000 0.429 346 A N 0.439 123.336 122.820 0.128 0.000 1.898 346 A HA -0.075 4.246 4.320 0.001 0.000 0.216 346 A C 2.093 179.759 177.584 0.136 0.000 1.181 346 A CA 1.437 53.574 52.037 0.166 0.000 0.620 346 A CB -0.833 18.364 19.000 0.328 0.000 0.819 346 A HN 0.180 nan 8.150 nan 0.000 0.442 347 T N -0.263 114.377 114.554 0.144 0.000 3.118 347 T HA 0.061 4.411 4.350 0.001 0.000 0.260 347 T C 0.293 175.025 174.700 0.052 0.000 1.139 347 T CA 0.703 62.874 62.100 0.118 0.000 1.085 347 T CB -0.335 68.624 68.868 0.151 0.000 0.934 347 T HN 0.567 nan 8.240 nan 0.000 0.518 348 K N 0.499 120.919 120.400 0.032 0.000 3.096 348 K HA -0.133 4.187 4.320 0.001 0.000 0.266 348 K C -0.616 175.953 176.600 -0.052 0.000 1.043 348 K CA 0.192 56.477 56.287 -0.004 0.000 0.758 348 K CB -1.214 31.289 32.500 0.006 0.000 1.260 348 K HN 0.317 nan 8.250 nan 0.000 0.481 349 I N 0.472 120.981 120.570 -0.103 0.000 2.603 349 I HA 0.356 4.526 4.170 0.001 0.000 0.300 349 I C 0.537 176.524 176.117 -0.217 0.000 1.017 349 I CA -0.719 60.449 61.300 -0.220 0.000 1.098 349 I CB 1.772 39.487 38.000 -0.473 0.000 1.279 349 I HN 0.233 nan 8.210 nan 0.000 0.437 350 A N 6.699 129.378 122.820 -0.236 0.000 2.546 350 A HA 0.263 4.584 4.320 0.001 0.000 0.243 350 A C -0.498 176.883 177.584 -0.339 0.000 1.063 350 A CA 0.156 52.012 52.037 -0.302 0.000 0.757 350 A CB 0.082 18.877 19.000 -0.342 0.000 0.991 350 A HN 0.583 nan 8.150 nan 0.000 0.503 351 L N 3.494 124.512 121.223 -0.343 0.000 2.341 351 L HA 0.609 4.950 4.340 0.001 0.000 0.278 351 L C -1.715 174.991 176.870 -0.273 0.000 1.005 351 L CA -0.388 54.346 54.840 -0.177 0.000 0.818 351 L CB 1.280 43.319 42.059 -0.033 0.000 1.259 351 L HN 0.721 nan 8.230 nan 0.000 0.418 352 Y N 2.632 123.010 120.300 0.130 0.000 2.331 352 Y HA 0.328 4.878 4.550 0.001 0.000 0.334 352 Y C 0.179 176.166 175.900 0.144 0.000 0.960 352 Y CA -0.678 57.518 58.100 0.159 0.000 1.130 352 Y CB 1.525 40.098 38.460 0.189 0.000 1.164 352 Y HN 0.543 nan 8.280 nan 0.000 0.458 353 E N 3.011 123.385 120.200 0.290 0.000 2.044 353 E HA 0.312 4.662 4.350 0.001 0.000 0.282 353 E C -0.585 176.098 176.600 0.137 0.000 1.031 353 E CA -0.375 56.123 56.400 0.163 0.000 0.824 353 E CB 0.564 30.338 29.700 0.123 0.000 1.076 353 E HN 0.693 nan 8.360 nan 0.000 0.395 354 T N 1.771 116.263 114.554 -0.104 0.000 2.950 354 T HA 0.604 4.954 4.350 0.001 0.000 0.288 354 T C -2.562 171.810 174.700 -0.547 0.000 1.035 354 T CA -2.464 59.281 62.100 -0.591 0.000 1.028 354 T CB 1.648 70.105 68.868 -0.685 0.000 1.109 354 T HN 0.149 nan 8.240 nan 0.000 0.514 355 P HA 0.215 nan 4.420 nan 0.000 0.272 355 P C 0.287 177.341 177.300 -0.411 0.000 1.240 355 P CA -0.328 62.468 63.100 -0.507 0.000 0.791 355 P CB -0.047 31.226 31.700 -0.711 0.000 0.978 356 T N -1.921 112.534 114.554 -0.165 0.000 2.940 356 T HA 0.448 4.799 4.350 0.001 0.000 0.309 356 T C 0.478 175.233 174.700 0.092 0.000 1.056 356 T CA 0.227 62.304 62.100 -0.038 0.000 1.137 356 T CB -0.583 68.305 68.868 0.033 0.000 0.976 356 T HN 0.852 nan 8.240 nan 0.000 0.547 357 G N 1.991 110.847 108.800 0.092 0.000 3.162 357 G HA2 -0.051 3.909 3.960 0.001 0.000 0.599 357 G HA3 -0.051 3.909 3.960 0.001 0.000 0.599 357 G C -0.239 174.659 174.900 -0.002 0.000 1.335 357 G CA -0.309 44.872 45.100 0.136 0.000 1.091 357 G HN 0.872 nan 8.290 nan 0.000 0.570 358 W N 3.357 124.655 121.300 -0.002 0.000 2.325 358 W HA -0.205 4.455 4.660 0.001 0.000 0.299 358 W C 2.809 179.270 176.519 -0.097 0.000 1.215 358 W CA 2.374 59.758 57.345 0.065 0.000 1.244 358 W CB 0.314 29.849 29.460 0.125 0.000 1.140 358 W HN 0.734 nan 8.180 nan 0.000 0.523 359 K N -0.738 119.624 120.400 -0.064 0.000 2.089 359 K HA -0.267 4.053 4.320 0.001 0.000 0.210 359 K C 1.707 177.986 176.600 -0.535 0.000 1.048 359 K CA 2.032 58.155 56.287 -0.273 0.000 0.926 359 K CB -1.934 30.321 32.500 -0.408 0.000 0.714 359 K HN 0.237 nan 8.250 nan 0.000 0.448 360 F N 0.881 120.587 119.950 -0.407 0.000 2.216 360 F HA -0.065 4.462 4.527 0.001 0.000 0.300 360 F C 2.213 177.718 175.800 -0.492 0.000 1.085 360 F CA 0.866 58.592 58.000 -0.457 0.000 1.326 360 F CB -0.654 37.948 39.000 -0.663 0.000 1.027 360 F HN -0.144 nan 8.300 nan 0.000 0.497 361 F N 0.209 119.882 119.950 -0.462 0.000 2.206 361 F HA 0.063 4.590 4.527 0.000 0.000 0.298 361 F C 2.566 177.924 175.800 -0.737 0.000 1.090 361 F CA 0.704 58.292 58.000 -0.686 0.000 1.323 361 F CB -1.597 36.725 39.000 -1.130 0.000 1.028 361 F HN -0.042 nan 8.300 nan 0.000 0.492 362 G N 0.261 108.604 108.800 -0.762 0.000 2.433 362 G HA2 -0.278 3.682 3.960 0.001 0.000 0.216 362 G HA3 -0.278 3.682 3.960 0.001 0.000 0.216 362 G C 1.641 176.496 174.900 -0.074 0.000 1.186 362 G CA 0.995 45.948 45.100 -0.244 0.000 0.779 362 G HN 0.242 nan 8.290 nan 0.000 0.543 363 N N 0.715 119.356 118.700 -0.098 0.000 2.061 363 N HA -0.093 4.648 4.740 0.001 0.000 0.193 363 N C 2.198 177.683 175.510 -0.042 0.000 1.030 363 N CA 0.905 53.929 53.050 -0.044 0.000 0.856 363 N CB -0.518 37.951 38.487 -0.029 0.000 1.023 363 N HN 0.325 nan 8.380 nan 0.000 0.424 364 L N -0.190 120.988 121.223 -0.075 0.000 2.141 364 L HA -0.022 4.318 4.340 0.001 0.000 0.209 364 L C 2.197 179.037 176.870 -0.050 0.000 1.094 364 L CA 0.720 55.492 54.840 -0.113 0.000 0.763 364 L CB -0.283 41.643 42.059 -0.222 0.000 0.908 364 L HN 0.180 nan 8.230 nan 0.000 0.437 365 M N -0.337 119.253 119.600 -0.017 0.000 2.099 365 M HA -0.188 4.293 4.480 0.001 0.000 0.262 365 M C 1.696 178.027 176.300 0.051 0.000 1.067 365 M CA 1.664 56.992 55.300 0.045 0.000 1.124 365 M CB -0.372 32.283 32.600 0.091 0.000 1.353 365 M HN 0.116 nan 8.290 nan 0.000 0.410 366 D N 0.676 121.102 120.400 0.043 0.000 2.218 366 D HA -0.089 4.551 4.640 0.001 0.000 0.204 366 D C 1.464 177.780 176.300 0.027 0.000 0.976 366 D CA 1.263 55.287 54.000 0.039 0.000 0.853 366 D CB -0.162 40.659 40.800 0.034 0.000 0.939 366 D HN 0.340 nan 8.370 nan 0.000 0.481 367 A N -0.311 122.518 122.820 0.015 0.000 2.302 367 A HA 0.232 4.552 4.320 0.001 0.000 0.219 367 A C 0.809 178.407 177.584 0.023 0.000 1.243 367 A CA 0.191 52.236 52.037 0.012 0.000 0.856 367 A CB -0.079 18.919 19.000 -0.004 0.000 0.893 367 A HN -0.035 nan 8.150 nan 0.000 0.491 368 S N -0.655 115.066 115.700 0.035 0.000 3.641 368 S HA -0.126 4.344 4.470 0.001 0.000 0.346 368 S C 0.884 175.519 174.600 0.058 0.000 1.074 368 S CA 1.361 59.590 58.200 0.049 0.000 1.026 368 S CB -0.826 62.399 63.200 0.042 0.000 0.908 368 S HN 0.696 nan 8.310 nan 0.000 0.479 369 K N -0.702 119.729 120.400 0.052 0.000 2.440 369 K HA 0.394 4.715 4.320 0.001 0.000 0.207 369 K C -0.097 176.591 176.600 0.146 0.000 1.112 369 K CA -0.042 56.300 56.287 0.092 0.000 1.036 369 K CB 0.513 33.034 32.500 0.035 0.000 0.935 369 K HN 0.429 nan 8.250 nan 0.000 0.564 370 L N 0.288 121.570 121.223 0.100 0.000 2.376 370 L HA 0.383 4.723 4.340 0.001 0.000 0.275 370 L C 0.392 177.362 176.870 0.167 0.000 0.987 370 L CA 0.198 55.123 54.840 0.141 0.000 0.828 370 L CB 2.188 44.288 42.059 0.067 0.000 1.249 370 L HN -0.134 nan 8.230 nan 0.000 0.409 371 S N 3.715 119.546 115.700 0.219 0.000 2.620 371 S HA 0.366 4.836 4.470 0.001 0.000 0.234 371 S C -0.154 174.636 174.600 0.317 0.000 1.064 371 S CA 0.137 58.527 58.200 0.318 0.000 0.920 371 S CB 0.215 63.622 63.200 0.345 0.000 0.826 371 S HN 0.491 nan 8.310 nan 0.000 0.557 372 L N 2.270 123.648 121.223 0.259 0.000 2.346 372 L HA 0.687 5.028 4.340 0.001 0.000 0.276 372 L C -1.035 175.810 176.870 -0.042 0.000 1.006 372 L CA -0.565 54.331 54.840 0.094 0.000 0.817 372 L CB 1.462 43.484 42.059 -0.062 0.000 1.272 372 L HN 0.517 nan 8.230 nan 0.000 0.421 373 C N 1.774 120.959 119.300 -0.192 0.000 2.888 373 C HA 1.030 5.490 4.460 0.001 0.000 0.308 373 C C -0.053 174.688 174.990 -0.414 0.000 1.213 373 C CA -0.174 58.573 59.018 -0.452 0.000 1.461 373 C CB 0.844 28.007 27.740 -0.963 0.000 1.934 373 C HN 1.131 nan 8.230 nan 0.000 0.474 374 G N 1.233 109.790 108.800 -0.403 0.000 2.612 374 G HA2 0.693 4.653 3.960 0.001 0.000 0.298 374 G HA3 0.693 4.653 3.960 0.001 0.000 0.298 374 G C -1.885 172.948 174.900 -0.112 0.000 1.336 374 G CA -0.339 44.633 45.100 -0.213 0.000 0.953 374 G HN 0.932 nan 8.290 nan 0.000 0.482 375 E N -0.317 119.874 120.200 -0.015 0.000 2.266 375 E HA 0.235 4.585 4.350 0.001 0.000 0.268 375 E C 0.386 176.967 176.600 -0.032 0.000 0.879 375 E CA -0.560 55.872 56.400 0.054 0.000 0.762 375 E CB 2.308 32.115 29.700 0.177 0.000 1.199 375 E HN 0.665 nan 8.360 nan 0.000 0.422 376 E N 0.450 120.611 120.200 -0.066 0.000 2.265 376 E HA -0.132 4.218 4.350 0.001 0.000 0.196 376 E C 0.519 177.085 176.600 -0.058 0.000 0.996 376 E CA 0.903 57.239 56.400 -0.106 0.000 0.832 376 E CB -0.051 29.637 29.700 -0.021 0.000 0.756 376 E HN 0.199 nan 8.360 nan 0.000 0.491 377 S N 0.645 116.386 115.700 0.069 0.000 3.811 377 S HA 0.210 4.681 4.470 0.001 0.000 0.205 377 S C -0.541 174.215 174.600 0.261 0.000 1.445 377 S CA -0.599 57.706 58.200 0.175 0.000 1.097 377 S CB -1.486 61.840 63.200 0.209 0.000 1.350 377 S HN 0.268 nan 8.310 nan 0.000 0.471 378 F N -0.311 119.702 119.950 0.105 0.000 2.969 378 F HA -0.124 4.404 4.527 0.001 0.000 0.273 378 F C 0.932 176.792 175.800 0.101 0.000 0.986 378 F CA 0.769 58.822 58.000 0.088 0.000 0.926 378 F CB -1.634 37.411 39.000 0.075 0.000 0.887 378 F HN 0.648 nan 8.300 nan 0.000 0.816 379 G N 0.364 109.277 108.800 0.188 0.000 2.707 379 G HA2 0.694 4.655 3.960 0.001 0.000 0.299 379 G HA3 0.694 4.655 3.960 0.001 0.000 0.299 379 G C -0.983 174.005 174.900 0.148 0.000 1.442 379 G CA -0.592 44.627 45.100 0.199 0.000 1.009 379 G HN 0.129 nan 8.290 nan 0.000 0.515 380 T N 0.255 114.927 114.554 0.198 0.000 2.933 380 T HA 0.859 5.209 4.350 0.001 0.000 0.305 380 T C 0.171 174.994 174.700 0.205 0.000 1.092 380 T CA -0.099 62.112 62.100 0.187 0.000 1.008 380 T CB 2.111 71.149 68.868 0.284 0.000 1.102 380 T HN 1.196 nan 8.240 nan 0.000 0.469 381 G N 0.877 109.706 108.800 0.049 0.000 2.706 381 G HA2 0.815 4.776 3.960 0.001 0.000 0.307 381 G HA3 0.815 4.776 3.960 0.001 0.000 0.307 381 G C -1.237 173.462 174.900 -0.335 0.000 1.307 381 G CA -0.197 44.800 45.100 -0.172 0.000 0.790 381 G HN 1.256 nan 8.290 nan 0.000 0.503 382 S N -1.614 113.904 115.700 -0.304 0.000 2.611 382 S HA 0.405 4.876 4.470 0.001 0.000 0.268 382 S C -0.097 174.534 174.600 0.052 0.000 1.156 382 S CA 0.462 58.630 58.200 -0.055 0.000 0.817 382 S CB 1.599 64.813 63.200 0.025 0.000 1.122 382 S HN 0.959 nan 8.310 nan 0.000 0.466 383 D N 0.715 121.224 120.400 0.182 0.000 2.403 383 D HA -0.190 4.451 4.640 0.001 0.000 0.227 383 D C 1.445 177.806 176.300 0.101 0.000 0.995 383 D CA 1.096 55.196 54.000 0.166 0.000 0.928 383 D CB -0.890 40.040 40.800 0.217 0.000 0.887 383 D HN 0.829 nan 8.370 nan 0.000 0.529 384 H N 0.978 119.953 119.070 -0.158 0.000 2.421 384 H HA -0.034 4.523 4.556 0.001 0.000 0.298 384 H C 1.245 176.495 175.328 -0.131 0.000 1.087 384 H CA 0.941 56.834 56.048 -0.258 0.000 1.330 384 H CB -0.269 29.170 29.762 -0.538 0.000 1.388 384 H HN 0.418 nan 8.280 nan 0.000 0.526 385 I N -3.134 117.058 120.570 -0.630 0.000 3.466 385 I HA 0.465 4.636 4.170 0.001 0.000 0.311 385 I C 0.132 176.097 176.117 -0.255 0.000 1.155 385 I CA -1.434 59.611 61.300 -0.424 0.000 0.959 385 I CB 1.994 39.683 38.000 -0.519 0.000 1.332 385 I HN -0.305 nan 8.210 nan 0.000 0.483 386 R N 1.165 121.503 120.500 -0.271 0.000 2.696 386 R HA 0.487 4.827 4.340 0.001 0.000 0.355 386 R C -0.756 174.901 176.300 -1.072 0.000 1.138 386 R CA -0.054 55.874 56.100 -0.288 0.000 1.059 386 R CB -0.093 30.157 30.300 -0.083 0.000 1.380 386 R HN 0.642 nan 8.270 nan 0.000 0.578 387 E N 0.359 119.941 120.200 -1.030 0.000 2.449 387 E HA 0.321 4.671 4.350 0.001 0.000 0.278 387 E C -0.760 175.365 176.600 -0.790 0.000 0.992 387 E CA -0.900 54.787 56.400 -1.188 0.000 0.807 387 E CB 2.164 31.492 29.700 -0.620 0.000 1.350 387 E HN -0.150 nan 8.360 nan 0.000 0.462 388 K N 0.698 120.742 120.400 -0.594 0.000 2.219 388 K HA 0.197 4.517 4.320 0.001 0.000 0.258 388 K C -0.477 176.097 176.600 -0.043 0.000 1.008 388 K CA 0.093 56.298 56.287 -0.136 0.000 0.928 388 K CB 0.376 32.893 32.500 0.029 0.000 0.983 388 K HN 0.196 nan 8.250 nan 0.000 0.484 389 D N 0.578 121.051 120.400 0.122 0.000 2.476 389 D HA 0.213 4.853 4.640 0.001 0.000 0.251 389 D C 0.597 177.124 176.300 0.378 0.000 1.291 389 D CA -0.379 53.765 54.000 0.238 0.000 0.939 389 D CB 1.592 42.623 40.800 0.385 0.000 1.221 389 D HN 0.568 nan 8.370 nan 0.000 0.567 390 G N 2.507 111.495 108.800 0.313 0.000 2.404 390 G HA2 -0.210 3.750 3.960 0.001 0.000 0.215 390 G HA3 -0.210 3.750 3.960 0.001 0.000 0.215 390 G C 1.293 176.569 174.900 0.628 0.000 1.174 390 G CA 0.362 45.756 45.100 0.490 0.000 0.780 390 G HN 0.453 nan 8.290 nan 0.000 0.537 391 L N -0.490 120.930 121.223 0.327 0.000 2.093 391 L HA 0.111 4.452 4.340 0.001 0.000 0.208 391 L C 2.373 179.467 176.870 0.374 0.000 1.085 391 L CA 1.306 56.316 54.840 0.283 0.000 0.755 391 L CB -0.683 41.427 42.059 0.085 0.000 0.904 391 L HN 0.490 nan 8.230 nan 0.000 0.435 392 W N 0.157 121.638 121.300 0.302 0.000 2.338 392 W HA -0.247 4.414 4.660 0.000 0.000 0.304 392 W C 2.343 179.048 176.519 0.311 0.000 1.212 392 W CA 2.479 60.019 57.345 0.325 0.000 1.264 392 W CB -0.267 29.383 29.460 0.317 0.000 1.142 392 W HN 0.218 nan 8.180 nan 0.000 0.512 393 A N -0.263 122.937 122.820 0.634 0.000 1.933 393 A HA -0.184 4.137 4.320 0.001 0.000 0.218 393 A C 1.968 179.723 177.584 0.284 0.000 1.175 393 A CA 2.249 54.548 52.037 0.438 0.000 0.628 393 A CB -1.161 18.143 19.000 0.508 0.000 0.814 393 A HN 0.218 nan 8.150 nan 0.000 0.444 394 V N 0.022 120.118 119.914 0.302 0.000 2.307 394 V HA -0.224 3.896 4.120 0.001 0.000 0.245 394 V C 2.528 178.599 176.094 -0.039 0.000 1.045 394 V CA 1.853 64.323 62.300 0.284 0.000 1.024 394 V CB -0.719 31.342 31.823 0.397 0.000 0.651 394 V HN 0.573 nan 8.190 nan 0.000 0.449 395 L N 0.075 121.107 121.223 -0.318 0.000 2.141 395 L HA -0.131 4.210 4.340 0.001 0.000 0.209 395 L C 2.697 179.046 176.870 -0.868 0.000 1.094 395 L CA 1.373 55.733 54.840 -0.800 0.000 0.763 395 L CB -0.769 40.450 42.059 -1.400 0.000 0.908 395 L HN 0.373 nan 8.230 nan 0.000 0.437 396 A N -0.727 121.701 122.820 -0.652 0.000 1.930 396 A HA -0.234 4.086 4.320 0.001 0.000 0.217 396 A C 1.971 179.439 177.584 -0.194 0.000 1.175 396 A CA 1.235 53.085 52.037 -0.312 0.000 0.627 396 A CB -0.837 17.848 19.000 -0.525 0.000 0.815 396 A HN 0.506 nan 8.150 nan 0.000 0.443 397 W N 0.101 121.275 121.300 -0.210 0.000 2.379 397 W HA -0.081 4.579 4.660 0.000 0.000 0.307 397 W C 2.067 178.408 176.519 -0.297 0.000 1.200 397 W CA 1.304 58.558 57.345 -0.151 0.000 1.297 397 W CB -0.195 29.283 29.460 0.030 0.000 1.140 397 W HN 0.231 nan 8.180 nan 0.000 0.507 398 L N -0.497 120.605 121.223 -0.201 0.000 2.083 398 L HA -0.263 4.077 4.340 0.001 0.000 0.209 398 L C 2.428 179.175 176.870 -0.205 0.000 1.083 398 L CA 1.277 55.906 54.840 -0.352 0.000 0.752 398 L CB -0.976 40.810 42.059 -0.455 0.000 0.899 398 L HN -0.133 nan 8.230 nan 0.000 0.433 399 S N 0.185 115.775 115.700 -0.182 0.000 2.356 399 S HA -0.155 4.316 4.470 0.001 0.000 0.223 399 S C 1.952 176.520 174.600 -0.053 0.000 1.032 399 S CA 1.352 59.503 58.200 -0.081 0.000 1.005 399 S CB -0.278 62.928 63.200 0.011 0.000 0.867 399 S HN 0.293 nan 8.310 nan 0.000 0.449 400 I N 1.275 121.796 120.570 -0.081 0.000 2.226 400 I HA -0.182 3.988 4.170 0.001 0.000 0.245 400 I C 2.082 178.179 176.117 -0.033 0.000 1.100 400 I CA 1.005 62.251 61.300 -0.089 0.000 1.374 400 I CB -0.359 37.498 38.000 -0.238 0.000 1.057 400 I HN 0.217 nan 8.210 nan 0.000 0.413 401 L N 0.369 121.594 121.223 0.003 0.000 2.046 401 L HA -0.225 4.116 4.340 0.001 0.000 0.208 401 L C 2.825 179.681 176.870 -0.023 0.000 1.077 401 L CA 1.465 56.315 54.840 0.015 0.000 0.747 401 L CB -0.685 41.365 42.059 -0.015 0.000 0.896 401 L HN 0.252 nan 8.230 nan 0.000 0.432 402 A N -0.668 122.123 122.820 -0.048 0.000 1.902 402 A HA -0.188 4.132 4.320 0.001 0.000 0.217 402 A C 2.350 179.924 177.584 -0.016 0.000 1.181 402 A CA 2.282 54.295 52.037 -0.039 0.000 0.623 402 A CB -0.874 18.096 19.000 -0.048 0.000 0.818 402 A HN 0.393 nan 8.150 nan 0.000 0.443 403 T N -0.402 114.147 114.554 -0.009 0.000 2.821 403 T HA -0.084 4.267 4.350 0.001 0.000 0.267 403 T C 1.948 176.650 174.700 0.003 0.000 1.046 403 T CA 1.482 63.586 62.100 0.006 0.000 1.139 403 T CB -0.166 68.712 68.868 0.015 0.000 0.871 403 T HN 0.505 nan 8.240 nan 0.000 0.454 404 R N 0.323 120.822 120.500 -0.002 0.000 2.254 404 R HA 0.174 4.514 4.340 0.001 0.000 0.195 404 R C 0.648 176.946 176.300 -0.004 0.000 0.957 404 R CA 0.120 56.219 56.100 -0.001 0.000 1.024 404 R CB 0.097 30.396 30.300 -0.002 0.000 0.952 404 R HN 0.124 nan 8.270 nan 0.000 0.484 405 K N 0.325 120.721 120.400 -0.007 0.000 3.274 405 K HA -0.206 4.114 4.320 0.001 0.000 0.300 405 K C -0.530 176.063 176.600 -0.012 0.000 1.230 405 K CA 1.047 57.327 56.287 -0.010 0.000 0.884 405 K CB -1.262 31.232 32.500 -0.010 0.000 1.242 405 K HN 0.323 nan 8.250 nan 0.000 0.467 406 Q N -0.493 119.303 119.800 -0.007 0.000 2.306 406 Q HA 0.547 4.887 4.340 0.001 0.000 0.269 406 Q C 0.037 176.033 176.000 -0.007 0.000 1.053 406 Q CA -0.506 55.290 55.803 -0.013 0.000 0.879 406 Q CB 1.806 30.536 28.738 -0.014 0.000 1.344 406 Q HN 0.263 nan 8.270 nan 0.000 0.464 407 S N -0.893 114.788 115.700 -0.031 0.000 2.617 407 S HA 0.146 4.616 4.470 0.001 0.000 0.269 407 S C 1.147 175.723 174.600 -0.040 0.000 1.292 407 S CA -0.745 57.430 58.200 -0.042 0.000 1.010 407 S CB 0.903 64.053 63.200 -0.084 0.000 0.944 407 S HN 0.444 nan 8.310 nan 0.000 0.536 408 V N 1.471 121.369 119.914 -0.027 0.000 2.380 408 V HA -0.212 3.908 4.120 0.001 0.000 0.251 408 V C 2.729 178.704 176.094 -0.199 0.000 1.063 408 V CA 2.465 64.758 62.300 -0.011 0.000 1.055 408 V CB -1.302 30.475 31.823 -0.076 0.000 0.657 408 V HN 1.047 nan 8.190 nan 0.000 0.455 409 E N 0.079 119.955 120.200 -0.539 0.000 2.031 409 E HA -0.253 4.097 4.350 0.001 0.000 0.193 409 E C 1.904 178.225 176.600 -0.465 0.000 0.994 409 E CA 1.532 57.344 56.400 -0.980 0.000 0.800 409 E CB -0.114 29.035 29.700 -0.919 0.000 0.752 409 E HN 0.601 nan 8.360 nan 0.000 0.447 410 D N 0.326 120.567 120.400 -0.266 0.000 2.218 410 D HA -0.132 4.508 4.640 0.001 0.000 0.204 410 D C 1.973 178.197 176.300 -0.128 0.000 0.976 410 D CA 0.755 54.659 54.000 -0.160 0.000 0.853 410 D CB -0.055 40.683 40.800 -0.102 0.000 0.939 410 D HN 0.349 nan 8.370 nan 0.000 0.481 411 I N 0.217 120.731 120.570 -0.092 0.000 2.353 411 I HA -0.176 3.995 4.170 0.001 0.000 0.248 411 I C 2.392 178.452 176.117 -0.095 0.000 1.119 411 I CA 0.502 61.781 61.300 -0.035 0.000 1.417 411 I CB 0.024 38.065 38.000 0.069 0.000 1.078 411 I HN -0.041 nan 8.210 nan 0.000 0.421 412 L N 0.421 121.525 121.223 -0.199 0.000 2.044 412 L HA -0.164 4.176 4.340 0.001 0.000 0.205 412 L C 2.600 178.931 176.870 -0.899 0.000 1.075 412 L CA 1.299 55.819 54.840 -0.533 0.000 0.747 412 L CB -0.395 41.387 42.059 -0.460 0.000 0.903 412 L HN 0.129 nan 8.230 nan 0.000 0.435 413 K N -0.292 119.750 120.400 -0.596 0.000 2.074 413 K HA -0.273 4.047 4.320 0.001 0.000 0.209 413 K C 1.789 178.354 176.600 -0.058 0.000 1.048 413 K CA 1.828 57.971 56.287 -0.239 0.000 0.926 413 K CB -0.363 32.099 32.500 -0.063 0.000 0.713 413 K HN 0.373 nan 8.250 nan 0.000 0.444 414 D N 0.285 120.638 120.400 -0.079 0.000 2.117 414 D HA -0.195 4.445 4.640 0.001 0.000 0.197 414 D C 1.890 178.232 176.300 0.070 0.000 0.987 414 D CA 1.299 55.294 54.000 -0.008 0.000 0.829 414 D CB 0.102 40.886 40.800 -0.026 0.000 0.961 414 D HN 0.302 nan 8.370 nan 0.000 0.460 415 H N -0.873 118.163 119.070 -0.055 0.000 2.357 415 H HA -0.120 4.437 4.556 0.001 0.000 0.301 415 H C 1.868 177.353 175.328 0.261 0.000 1.082 415 H CA 1.921 58.030 56.048 0.101 0.000 1.342 415 H CB -0.119 29.643 29.762 0.001 0.000 1.389 415 H HN 0.204 nan 8.280 nan 0.000 0.511 416 W N -0.053 121.419 121.300 0.288 0.000 2.388 416 W HA -0.103 4.557 4.660 0.000 0.000 0.294 416 W C 2.378 178.956 176.519 0.098 0.000 1.212 416 W CA 1.403 58.851 57.345 0.171 0.000 1.271 416 W CB -1.385 28.141 29.460 0.109 0.000 1.126 416 W HN 0.485 nan 8.180 nan 0.000 0.535 417 H N 0.035 119.227 119.070 0.204 0.000 2.491 417 H HA -0.077 4.479 4.556 0.000 0.000 0.290 417 H C 1.925 177.237 175.328 -0.026 0.000 1.050 417 H CA 2.027 58.123 56.048 0.080 0.000 1.309 417 H CB 0.262 30.052 29.762 0.047 0.000 1.392 417 H HN -0.092 nan 8.280 nan 0.000 0.554 418 K N -1.092 119.285 120.400 -0.039 0.000 2.141 418 K HA 0.092 4.413 4.320 0.001 0.000 0.202 418 K C 0.870 177.162 176.600 -0.513 0.000 1.045 418 K CA 0.942 57.006 56.287 -0.372 0.000 0.971 418 K CB 0.279 32.373 32.500 -0.676 0.000 0.795 418 K HN 0.195 nan 8.250 nan 0.000 0.459 419 F N -0.413 119.505 119.950 -0.053 0.000 2.717 419 F HA 0.356 4.884 4.527 0.001 0.000 0.295 419 F C 0.871 176.778 175.800 0.177 0.000 1.117 419 F CA 0.282 58.289 58.000 0.013 0.000 1.361 419 F CB 0.796 39.737 39.000 -0.097 0.000 1.112 419 F HN 0.080 nan 8.300 nan 0.000 0.594 420 G N 1.086 110.057 108.800 0.284 0.000 2.612 420 G HA2 -0.135 3.825 3.960 0.001 0.000 0.686 420 G HA3 -0.135 3.825 3.960 0.001 0.000 0.686 420 G C -0.994 173.969 174.900 0.104 0.000 1.274 420 G CA -1.116 44.049 45.100 0.109 0.000 0.849 420 G HN 0.293 nan 8.290 nan 0.000 0.595 421 R N 0.383 120.739 120.500 -0.241 0.000 2.255 421 R HA 0.473 4.813 4.340 0.001 0.000 0.326 421 R C -0.262 175.823 176.300 -0.358 0.000 0.986 421 R CA -0.672 55.144 56.100 -0.472 0.000 0.847 421 R CB 0.282 29.921 30.300 -1.103 0.000 1.111 421 R HN 0.444 nan 8.270 nan 0.000 0.452 422 N N 4.337 122.969 118.700 -0.114 0.000 2.663 422 N HA 0.114 4.854 4.740 0.001 0.000 0.250 422 N C -1.189 174.319 175.510 -0.003 0.000 1.129 422 N CA -0.114 52.981 53.050 0.076 0.000 0.995 422 N CB 0.213 38.803 38.487 0.172 0.000 1.324 422 N HN 0.387 nan 8.380 nan 0.000 0.512 423 F N 1.977 121.928 119.950 0.002 0.000 2.602 423 F HA 0.071 4.598 4.527 0.000 0.000 0.385 423 F C 0.443 176.323 175.800 0.134 0.000 1.063 423 F CA 0.339 58.340 58.000 0.001 0.000 1.233 423 F CB 0.116 39.084 39.000 -0.053 0.000 1.067 423 F HN 0.289 nan 8.300 nan 0.000 0.564 424 F N 2.977 123.005 119.950 0.131 0.000 2.565 424 F HA 0.598 5.125 4.527 0.000 0.000 0.313 424 F C -0.374 175.485 175.800 0.099 0.000 1.091 424 F CA -0.336 57.719 58.000 0.093 0.000 0.915 424 F CB 1.967 41.002 39.000 0.059 0.000 1.208 424 F HN 0.310 nan 8.300 nan 0.000 0.453 425 T N 5.564 119.715 114.554 -0.672 0.000 2.982 425 T HA 0.393 4.743 4.350 0.001 0.000 0.321 425 T C -1.902 172.451 174.700 -0.579 0.000 1.229 425 T CA -0.682 61.180 62.100 -0.397 0.000 1.044 425 T CB 1.283 70.062 68.868 -0.148 0.000 1.184 425 T HN 0.763 nan 8.240 nan 0.000 0.477 426 R N 3.675 124.025 120.500 -0.250 0.000 2.439 426 R HA 0.372 4.712 4.340 0.001 0.000 0.310 426 R C -1.518 174.777 176.300 -0.008 0.000 0.955 426 R CA -0.524 55.447 56.100 -0.214 0.000 0.853 426 R CB 1.022 31.254 30.300 -0.114 0.000 1.171 426 R HN 0.748 nan 8.270 nan 0.000 0.449 427 Y N 2.985 123.080 120.300 -0.341 0.000 2.367 427 Y HA 0.168 4.719 4.550 0.001 0.000 0.342 427 Y C 0.010 175.705 175.900 -0.341 0.000 0.979 427 Y CA -0.798 57.107 58.100 -0.326 0.000 1.161 427 Y CB 1.455 39.765 38.460 -0.250 0.000 1.155 427 Y HN 0.381 nan 8.280 nan 0.000 0.503 428 D N 4.121 124.339 120.400 -0.304 0.000 2.329 428 D HA 0.132 4.772 4.640 0.001 0.000 0.232 428 D C -1.127 174.947 176.300 -0.377 0.000 1.088 428 D CA -0.276 53.591 54.000 -0.222 0.000 0.835 428 D CB 1.071 41.795 40.800 -0.127 0.000 1.078 428 D HN 0.442 nan 8.370 nan 0.000 0.495 429 Y N 1.617 121.904 120.300 -0.022 0.000 2.504 429 Y HA 0.131 4.681 4.550 0.000 0.000 0.339 429 Y C 1.414 177.313 175.900 -0.000 0.000 0.974 429 Y CA -0.514 57.580 58.100 -0.010 0.000 1.232 429 Y CB 1.024 39.493 38.460 0.014 0.000 1.108 429 Y HN 0.323 nan 8.280 nan 0.000 0.509 430 E N 1.535 121.775 120.200 0.068 0.000 2.029 430 E HA -0.054 4.297 4.350 0.001 0.000 0.217 430 E C 0.394 177.034 176.600 0.068 0.000 0.903 430 E CA 0.608 57.042 56.400 0.055 0.000 1.062 430 E CB 0.171 29.881 29.700 0.017 0.000 0.908 430 E HN 0.447 nan 8.360 nan 0.000 0.569 431 E N 0.954 121.184 120.200 0.049 0.000 2.614 431 E HA 0.041 4.391 4.350 0.001 0.000 0.321 431 E C -0.901 175.728 176.600 0.049 0.000 1.354 431 E CA 0.079 56.505 56.400 0.044 0.000 1.469 431 E CB -0.479 29.239 29.700 0.030 0.000 1.197 431 E HN 0.001 nan 8.360 nan 0.000 0.497 432 V N 2.283 122.234 119.914 0.061 0.000 2.546 432 V HA -0.006 4.115 4.120 0.001 0.000 0.284 432 V C 0.615 176.728 176.094 0.033 0.000 1.050 432 V CA -0.605 61.726 62.300 0.052 0.000 0.981 432 V CB 1.222 33.085 31.823 0.067 0.000 0.990 432 V HN 0.450 nan 8.190 nan 0.000 0.474 433 E N 4.658 124.871 120.200 0.021 0.000 2.360 433 E HA 0.381 4.731 4.350 0.001 0.000 0.269 433 E C 0.968 177.575 176.600 0.011 0.000 1.022 433 E CA 0.382 56.791 56.400 0.014 0.000 0.887 433 E CB 1.208 30.914 29.700 0.009 0.000 0.990 433 E HN 0.639 nan 8.360 nan 0.000 0.426 434 A N 3.711 126.539 122.820 0.013 0.000 1.884 434 A HA -0.352 3.968 4.320 0.001 0.000 0.219 434 A C 2.125 179.711 177.584 0.004 0.000 1.197 434 A CA 2.066 54.110 52.037 0.012 0.000 0.637 434 A CB -0.932 18.076 19.000 0.014 0.000 0.827 434 A HN 0.935 nan 8.150 nan 0.000 0.450 435 E N -0.885 119.315 120.200 0.001 0.000 2.085 435 E HA -0.154 4.196 4.350 0.001 0.000 0.194 435 E C 2.090 178.681 176.600 -0.014 0.000 0.994 435 E CA 1.168 57.565 56.400 -0.005 0.000 0.801 435 E CB -0.430 29.267 29.700 -0.004 0.000 0.743 435 E HN 0.549 nan 8.360 nan 0.000 0.453 436 G N 0.450 109.241 108.800 -0.016 0.000 2.402 436 G HA2 -0.218 3.742 3.960 0.001 0.000 0.216 436 G HA3 -0.218 3.742 3.960 0.001 0.000 0.216 436 G C 1.630 176.505 174.900 -0.040 0.000 1.162 436 G CA 0.873 45.956 45.100 -0.029 0.000 0.777 436 G HN 0.409 nan 8.290 nan 0.000 0.539 437 A N 0.370 123.172 122.820 -0.030 0.000 1.898 437 A HA 0.016 4.337 4.320 0.001 0.000 0.216 437 A C 2.537 180.101 177.584 -0.033 0.000 1.181 437 A CA 2.406 54.424 52.037 -0.033 0.000 0.620 437 A CB -0.888 18.108 19.000 -0.006 0.000 0.819 437 A HN 0.289 nan 8.150 nan 0.000 0.442 438 T N -0.385 114.158 114.554 -0.018 0.000 2.777 438 T HA -0.113 4.238 4.350 0.001 0.000 0.266 438 T C 1.980 176.660 174.700 -0.033 0.000 1.040 438 T CA 1.516 63.606 62.100 -0.016 0.000 1.141 438 T CB -0.142 68.724 68.868 -0.005 0.000 0.868 438 T HN 0.494 nan 8.240 nan 0.000 0.444 439 K N 0.705 121.082 120.400 -0.037 0.000 2.057 439 K HA -0.006 4.314 4.320 0.001 0.000 0.207 439 K C 2.421 178.976 176.600 -0.074 0.000 1.049 439 K CA 0.989 57.248 56.287 -0.046 0.000 0.931 439 K CB -0.258 32.218 32.500 -0.040 0.000 0.714 439 K HN 0.285 nan 8.250 nan 0.000 0.440 440 M N 0.255 119.801 119.600 -0.091 0.000 2.108 440 M HA -0.217 4.264 4.480 0.001 0.000 0.261 440 M C 1.848 178.040 176.300 -0.181 0.000 1.066 440 M CA 1.469 56.686 55.300 -0.140 0.000 1.107 440 M CB -0.020 32.492 32.600 -0.147 0.000 1.356 440 M HN 0.160 nan 8.290 nan 0.000 0.406 441 M N 0.134 119.648 119.600 -0.143 0.000 2.132 441 M HA -0.175 4.305 4.480 0.001 0.000 0.263 441 M C 1.909 178.133 176.300 -0.126 0.000 1.065 441 M CA 1.740 56.951 55.300 -0.148 0.000 1.122 441 M CB -1.261 31.297 32.600 -0.069 0.000 1.365 441 M HN 0.233 nan 8.290 nan 0.000 0.411 442 K N 0.236 120.588 120.400 -0.081 0.000 2.097 442 K HA -0.163 4.158 4.320 0.001 0.000 0.206 442 K C 1.624 178.177 176.600 -0.079 0.000 1.049 442 K CA 1.383 57.637 56.287 -0.055 0.000 0.933 442 K CB -0.130 32.351 32.500 -0.031 0.000 0.717 442 K HN 0.239 nan 8.250 nan 0.000 0.442 443 D N 0.876 121.214 120.400 -0.104 0.000 2.084 443 D HA -0.155 4.485 4.640 0.001 0.000 0.194 443 D C 1.793 177.990 176.300 -0.171 0.000 0.990 443 D CA 0.803 54.733 54.000 -0.116 0.000 0.826 443 D CB -0.311 40.421 40.800 -0.115 0.000 0.971 443 D HN -0.020 nan 8.370 nan 0.000 0.453 444 L N 1.175 122.254 121.223 -0.240 0.000 2.042 444 L HA -0.156 4.184 4.340 0.001 0.000 0.210 444 L C 2.083 178.741 176.870 -0.353 0.000 1.076 444 L CA 1.797 56.433 54.840 -0.339 0.000 0.749 444 L CB -0.489 41.291 42.059 -0.466 0.000 0.893 444 L HN 0.035 nan 8.230 nan 0.000 0.432 445 E N -0.737 119.299 120.200 -0.273 0.000 2.051 445 E HA -0.247 4.103 4.350 0.001 0.000 0.192 445 E C 2.110 178.600 176.600 -0.182 0.000 0.991 445 E CA 1.208 57.439 56.400 -0.281 0.000 0.799 445 E CB -0.209 29.439 29.700 -0.086 0.000 0.748 445 E HN 0.592 nan 8.360 nan 0.000 0.449 446 A N 1.253 124.033 122.820 -0.067 0.000 1.933 446 A HA -0.169 4.151 4.320 0.001 0.000 0.218 446 A C 2.213 179.750 177.584 -0.079 0.000 1.175 446 A CA 1.223 53.259 52.037 -0.002 0.000 0.628 446 A CB -0.703 18.288 19.000 -0.016 0.000 0.814 446 A HN 0.435 nan 8.150 nan 0.000 0.444 447 L N -1.154 119.949 121.223 -0.200 0.000 1.994 447 L HA -0.190 4.150 4.340 0.001 0.000 0.208 447 L C 2.749 179.299 176.870 -0.534 0.000 1.071 447 L CA 1.818 56.478 54.840 -0.301 0.000 0.745 447 L CB -0.231 41.619 42.059 -0.349 0.000 0.892 447 L HN 0.432 nan 8.230 nan 0.000 0.431 448 M N -1.277 117.902 119.600 -0.701 0.000 2.117 448 M HA -0.224 4.256 4.480 0.001 0.000 0.262 448 M C 1.524 177.654 176.300 -0.282 0.000 1.065 448 M CA 1.627 56.438 55.300 -0.816 0.000 1.114 448 M CB -0.250 31.917 32.600 -0.721 0.000 1.361 448 M HN 0.120 nan 8.290 nan 0.000 0.408 449 F N 1.005 120.895 119.950 -0.100 0.000 2.772 449 F HA 0.015 4.543 4.527 0.001 0.000 0.302 449 F C 0.926 176.735 175.800 0.015 0.000 1.225 449 F CA -0.365 57.628 58.000 -0.011 0.000 1.429 449 F CB -1.222 37.767 39.000 -0.018 0.000 1.104 449 F HN 0.086 nan 8.300 nan 0.000 0.550 450 D N 1.360 121.867 120.400 0.178 0.000 2.350 450 D HA -0.026 4.614 4.640 0.001 0.000 0.249 450 D C 1.619 178.029 176.300 0.183 0.000 1.119 450 D CA -0.244 53.848 54.000 0.154 0.000 0.886 450 D CB 0.944 41.818 40.800 0.123 0.000 1.195 450 D HN 0.141 nan 8.370 nan 0.000 0.437 451 R N 2.087 122.666 120.500 0.133 0.000 2.261 451 R HA -0.138 4.203 4.340 0.001 0.000 0.236 451 R C 0.949 177.319 176.300 0.117 0.000 1.141 451 R CA 1.247 57.415 56.100 0.113 0.000 1.001 451 R CB -0.840 29.505 30.300 0.073 0.000 0.866 451 R HN 0.309 nan 8.270 nan 0.000 0.468 452 S N -1.454 114.327 115.700 0.136 0.000 2.559 452 S HA 0.115 4.585 4.470 0.001 0.000 0.226 452 S C 1.391 176.090 174.600 0.164 0.000 1.000 452 S CA -0.656 57.615 58.200 0.118 0.000 0.948 452 S CB -0.487 62.767 63.200 0.089 0.000 0.870 452 S HN 0.298 nan 8.310 nan 0.000 0.497 453 F N 2.818 122.805 119.950 0.061 0.000 2.171 453 F HA 0.123 4.651 4.527 0.001 0.000 0.300 453 F C 0.595 176.444 175.800 0.081 0.000 1.090 453 F CA 0.560 58.606 58.000 0.077 0.000 1.293 453 F CB 0.084 39.130 39.000 0.076 0.000 1.013 453 F HN -0.041 nan 8.300 nan 0.000 0.486 454 V N 1.654 121.614 119.914 0.077 0.000 2.446 454 V HA 0.300 4.420 4.120 0.001 0.000 0.276 454 V C 0.928 176.997 176.094 -0.042 0.000 1.030 454 V CA 1.087 63.375 62.300 -0.020 0.000 1.033 454 V CB 0.021 31.880 31.823 0.059 0.000 0.993 454 V HN 0.641 nan 8.190 nan 0.000 0.477 455 G N 4.425 113.174 108.800 -0.085 0.000 2.352 455 G HA2 -0.203 3.758 3.960 0.001 0.000 0.204 455 G HA3 -0.203 3.758 3.960 0.001 0.000 0.204 455 G C 0.397 175.243 174.900 -0.090 0.000 1.004 455 G CA 0.021 45.090 45.100 -0.053 0.000 0.648 455 G HN 0.705 nan 8.290 nan 0.000 0.491 456 K N 1.535 121.828 120.400 -0.179 0.000 2.527 456 K HA 0.328 4.648 4.320 0.001 0.000 0.278 456 K C 0.217 176.662 176.600 -0.258 0.000 0.981 456 K CA 0.651 56.778 56.287 -0.267 0.000 1.009 456 K CB 0.134 32.394 32.500 -0.401 0.000 0.895 456 K HN 0.425 nan 8.250 nan 0.000 0.493 457 Q N 3.150 122.754 119.800 -0.326 0.000 2.316 457 Q HA 0.340 4.680 4.340 0.001 0.000 0.264 457 Q C -1.219 174.561 176.000 -0.366 0.000 0.987 457 Q CA -0.655 55.037 55.803 -0.185 0.000 0.852 457 Q CB 1.385 30.073 28.738 -0.083 0.000 1.287 457 Q HN 0.411 nan 8.270 nan 0.000 0.448 458 F N 0.496 120.519 119.950 0.122 0.000 2.495 458 F HA 0.475 5.002 4.527 0.000 0.000 0.327 458 F C 0.276 176.153 175.800 0.128 0.000 1.103 458 F CA -0.654 57.419 58.000 0.122 0.000 0.949 458 F CB 2.253 41.339 39.000 0.144 0.000 1.142 458 F HN 0.309 nan 8.300 nan 0.000 0.457 459 S N 1.242 117.089 115.700 0.245 0.000 2.571 459 S HA 0.763 5.234 4.470 0.001 0.000 0.284 459 S C -0.131 174.552 174.600 0.137 0.000 1.128 459 S CA -0.133 58.165 58.200 0.164 0.000 0.970 459 S CB 1.485 64.726 63.200 0.068 0.000 1.039 459 S HN 0.787 nan 8.310 nan 0.000 0.485 460 A N 4.224 127.119 122.820 0.125 0.000 2.585 460 A HA 0.491 4.811 4.320 0.001 0.000 0.266 460 A C 0.635 178.245 177.584 0.042 0.000 1.178 460 A CA -0.187 51.895 52.037 0.075 0.000 0.966 460 A CB -0.057 18.977 19.000 0.057 0.000 1.170 460 A HN 0.756 nan 8.150 nan 0.000 0.558 461 N N -1.317 117.404 118.700 0.036 0.000 3.595 461 N HA -0.117 4.624 4.740 0.001 0.000 0.334 461 N C 0.283 175.789 175.510 -0.007 0.000 1.039 461 N CA 0.746 53.801 53.050 0.009 0.000 0.837 461 N CB -0.661 37.826 38.487 -0.000 0.000 3.580 461 N HN 0.041 nan 8.380 nan 0.000 0.790 462 D N 0.998 121.384 120.400 -0.023 0.000 2.084 462 D HA 0.003 4.643 4.640 0.001 0.000 0.199 462 D C 0.531 176.788 176.300 -0.071 0.000 0.981 462 D CA 1.254 55.230 54.000 -0.040 0.000 0.841 462 D CB 0.146 40.922 40.800 -0.041 0.000 0.997 462 D HN 0.269 nan 8.370 nan 0.000 0.454 463 K N 0.082 120.416 120.400 -0.110 0.000 2.270 463 K HA 0.302 4.623 4.320 0.001 0.000 0.276 463 K C -0.987 175.426 176.600 -0.312 0.000 1.023 463 K CA -0.605 55.547 56.287 -0.224 0.000 0.955 463 K CB 1.211 33.525 32.500 -0.310 0.000 0.975 463 K HN -0.023 nan 8.250 nan 0.000 0.471 464 V N 4.181 123.903 119.914 -0.321 0.000 2.612 464 V HA 0.257 4.378 4.120 0.001 0.000 0.301 464 V C -0.988 174.848 176.094 -0.430 0.000 1.046 464 V CA -0.649 61.508 62.300 -0.238 0.000 0.946 464 V CB 1.027 32.790 31.823 -0.100 0.000 1.003 464 V HN 0.625 nan 8.190 nan 0.000 0.459 465 Y N 0.952 121.256 120.300 0.008 0.000 2.328 465 Y HA 0.457 5.009 4.550 0.002 0.000 0.333 465 Y C 0.602 176.667 175.900 0.274 0.000 0.958 465 Y CA -0.561 57.542 58.100 0.004 0.000 1.167 465 Y CB 1.746 39.947 38.460 -0.432 0.000 1.151 465 Y HN 0.545 nan 8.280 nan 0.000 0.470 466 T N 3.817 118.609 114.554 0.397 0.000 2.733 466 T HA 0.291 4.641 4.350 0.001 0.000 0.294 466 T C -0.094 174.802 174.700 0.327 0.000 0.956 466 T CA -0.640 61.637 62.100 0.294 0.000 0.987 466 T CB 0.557 69.505 68.868 0.132 0.000 0.920 466 T HN 0.272 nan 8.240 nan 0.000 0.470 467 V N 4.896 124.913 119.914 0.171 0.000 2.450 467 V HA 0.065 4.185 4.120 0.001 0.000 0.281 467 V C 1.492 177.530 176.094 -0.092 0.000 1.019 467 V CA 0.241 62.465 62.300 -0.128 0.000 1.062 467 V CB 0.006 31.595 31.823 -0.391 0.000 0.979 467 V HN 1.008 nan 8.190 nan 0.000 0.477 468 E N 3.871 124.030 120.200 -0.068 0.000 2.431 468 E HA 0.187 4.538 4.350 0.001 0.000 0.200 468 E C 0.594 177.188 176.600 -0.010 0.000 0.995 468 E CA -0.175 56.217 56.400 -0.015 0.000 0.915 468 E CB 0.687 30.399 29.700 0.020 0.000 0.930 468 E HN 0.574 nan 8.360 nan 0.000 0.496 469 K N 0.269 120.646 120.400 -0.038 0.000 2.543 469 K HA 0.658 4.978 4.320 0.001 0.000 0.255 469 K C -2.067 174.542 176.600 0.016 0.000 0.934 469 K CA -0.585 55.711 56.287 0.015 0.000 0.810 469 K CB 2.315 34.833 32.500 0.030 0.000 1.315 469 K HN 0.094 nan 8.250 nan 0.000 0.433 470 A N 3.329 126.206 122.820 0.095 0.000 2.442 470 A HA 0.592 4.912 4.320 0.001 0.000 0.284 470 A C -1.829 175.793 177.584 0.063 0.000 1.058 470 A CA -0.509 51.578 52.037 0.083 0.000 0.738 470 A CB 0.709 19.843 19.000 0.224 0.000 1.242 470 A HN 0.869 nan 8.150 nan 0.000 0.421 471 D N 0.690 121.107 120.400 0.028 0.000 2.615 471 D HA 0.344 4.984 4.640 0.001 0.000 0.267 471 D C -0.984 175.382 176.300 0.110 0.000 1.236 471 D CA -0.634 53.462 54.000 0.160 0.000 0.839 471 D CB 0.808 41.801 40.800 0.321 0.000 1.380 471 D HN 0.135 nan 8.370 nan 0.000 0.433 472 N N 0.731 119.611 118.700 0.299 0.000 2.462 472 N HA 0.215 4.955 4.740 0.001 0.000 0.242 472 N C -1.166 174.495 175.510 0.251 0.000 1.010 472 N CA -0.582 52.609 53.050 0.234 0.000 0.939 472 N CB -0.072 38.589 38.487 0.291 0.000 1.127 472 N HN 0.391 nan 8.380 nan 0.000 0.509 473 F N 2.430 122.420 119.950 0.066 0.000 2.537 473 F HA -0.099 4.428 4.527 0.001 0.000 0.402 473 F C 0.795 176.605 175.800 0.018 0.000 1.005 473 F CA 0.723 58.744 58.000 0.036 0.000 1.203 473 F CB 0.327 39.323 39.000 -0.006 0.000 0.955 473 F HN 0.486 nan 8.300 nan 0.000 0.547 474 E N 6.379 126.201 120.200 -0.630 0.000 2.241 474 E HA 0.226 4.577 4.350 0.001 0.000 0.263 474 E C -2.100 174.016 176.600 -0.805 0.000 0.882 474 E CA -0.805 55.263 56.400 -0.553 0.000 0.769 474 E CB 1.113 30.633 29.700 -0.300 0.000 1.185 474 E HN 0.611 nan 8.360 nan 0.000 0.415 475 Y N 3.522 123.313 120.300 -0.847 0.000 2.364 475 Y HA 0.379 4.930 4.550 0.000 0.000 0.340 475 Y C -1.321 174.259 175.900 -0.533 0.000 0.975 475 Y CA -0.701 56.997 58.100 -0.671 0.000 1.089 475 Y CB 1.195 39.314 38.460 -0.570 0.000 1.192 475 Y HN 0.600 nan 8.280 nan 0.000 0.454 476 H N 3.672 122.347 119.070 -0.658 0.000 2.581 476 H HA 0.207 4.763 4.556 0.000 0.000 0.308 476 H C -1.024 173.917 175.328 -0.645 0.000 1.040 476 H CA -0.841 54.938 56.048 -0.447 0.000 1.231 476 H CB 0.813 30.398 29.762 -0.296 0.000 1.396 476 H HN 0.622 nan 8.280 nan 0.000 0.467 477 D N 4.266 124.546 120.400 -0.200 0.000 2.371 477 D HA 0.043 4.683 4.640 0.001 0.000 0.256 477 D C -1.428 174.852 176.300 -0.032 0.000 1.193 477 D CA -1.594 52.392 54.000 -0.024 0.000 0.881 477 D CB 1.150 42.106 40.800 0.260 0.000 1.143 477 D HN 0.315 nan 8.370 nan 0.000 0.473 478 P HA -0.077 nan 4.420 nan 0.000 0.226 478 P C 0.845 178.143 177.300 -0.002 0.000 1.153 478 P CA 0.282 63.366 63.100 -0.028 0.000 0.777 478 P CB 0.365 32.052 31.700 -0.023 0.000 0.794 479 V N 1.240 121.162 119.914 0.014 0.000 2.398 479 V HA -0.113 4.008 4.120 0.001 0.000 0.236 479 V C 1.760 177.864 176.094 0.017 0.000 1.054 479 V CA 2.194 64.501 62.300 0.013 0.000 1.060 479 V CB -1.190 30.640 31.823 0.012 0.000 0.707 479 V HN 0.158 nan 8.190 nan 0.000 0.480 480 D N 0.083 120.499 120.400 0.027 0.000 2.340 480 D HA 0.187 4.828 4.640 0.001 0.000 0.220 480 D C 1.565 177.883 176.300 0.030 0.000 1.039 480 D CA 0.890 54.905 54.000 0.025 0.000 0.866 480 D CB 0.058 40.871 40.800 0.022 0.000 0.913 480 D HN 0.530 nan 8.370 nan 0.000 0.523 481 G N 0.115 108.934 108.800 0.031 0.000 2.184 481 G HA2 -0.340 3.620 3.960 0.001 0.000 0.264 481 G HA3 -0.340 3.620 3.960 0.001 0.000 0.264 481 G C 0.489 175.419 174.900 0.050 0.000 0.975 481 G CA 0.514 45.631 45.100 0.029 0.000 0.642 481 G HN 0.712 nan 8.290 nan 0.000 0.536 482 S N -0.775 114.966 115.700 0.068 0.000 2.563 482 S HA 0.370 4.840 4.470 0.001 0.000 0.284 482 S C 0.536 175.183 174.600 0.078 0.000 1.331 482 S CA 0.493 58.743 58.200 0.085 0.000 1.047 482 S CB 1.020 64.291 63.200 0.118 0.000 0.859 482 S HN 1.066 nan 8.310 nan 0.000 0.514 483 V N 5.080 125.024 119.914 0.050 0.000 2.284 483 V HA 0.286 4.407 4.120 0.001 0.000 0.274 483 V C -0.128 175.939 176.094 -0.045 0.000 1.023 483 V CA -0.615 61.660 62.300 -0.041 0.000 0.808 483 V CB 0.911 32.736 31.823 0.002 0.000 1.035 483 V HN 0.877 nan 8.190 nan 0.000 0.445 484 S N 5.554 121.229 115.700 -0.041 0.000 2.485 484 S HA 0.338 4.808 4.470 0.001 0.000 0.312 484 S C 0.296 174.837 174.600 -0.099 0.000 1.102 484 S CA -0.454 57.742 58.200 -0.007 0.000 1.066 484 S CB 0.038 63.276 63.200 0.063 0.000 1.102 484 S HN 0.593 nan 8.310 nan 0.000 0.519 485 K N 1.865 122.226 120.400 -0.065 0.000 2.127 485 K HA 0.262 4.582 4.320 0.001 0.000 0.240 485 K C 0.444 177.044 176.600 0.001 0.000 1.024 485 K CA -0.757 55.492 56.287 -0.063 0.000 0.918 485 K CB 0.203 32.681 32.500 -0.037 0.000 1.108 485 K HN 0.463 nan 8.250 nan 0.000 0.485 486 N N 1.048 119.768 118.700 0.032 0.000 2.714 486 N HA -0.162 4.579 4.740 0.001 0.000 0.253 486 N C -0.104 175.464 175.510 0.097 0.000 1.024 486 N CA 0.358 53.453 53.050 0.075 0.000 0.726 486 N CB -0.286 38.239 38.487 0.064 0.000 0.908 486 N HN 0.447 nan 8.380 nan 0.000 0.542 487 Q N -0.365 119.517 119.800 0.137 0.000 2.282 487 Q HA 0.368 4.708 4.340 0.001 0.000 0.206 487 Q C 0.826 176.937 176.000 0.185 0.000 0.878 487 Q CA 0.907 56.817 55.803 0.178 0.000 0.944 487 Q CB 0.834 29.737 28.738 0.274 0.000 1.100 487 Q HN 0.597 nan 8.270 nan 0.000 0.509 488 G N 0.317 109.229 108.800 0.188 0.000 2.301 488 G HA2 0.099 4.059 3.960 0.001 0.000 0.290 488 G HA3 0.099 4.059 3.960 0.001 0.000 0.290 488 G C -1.534 173.457 174.900 0.153 0.000 1.669 488 G CA -1.024 44.168 45.100 0.153 0.000 0.945 488 G HN 0.042 nan 8.290 nan 0.000 0.710 489 L N 1.490 122.803 121.223 0.150 0.000 2.313 489 L HA 0.557 4.898 4.340 0.001 0.000 0.282 489 L C 0.762 177.707 176.870 0.125 0.000 1.092 489 L CA -0.389 54.512 54.840 0.102 0.000 0.831 489 L CB 0.857 42.947 42.059 0.053 0.000 1.159 489 L HN 0.447 nan 8.230 nan 0.000 0.442 490 R N 4.042 124.582 120.500 0.067 0.000 2.437 490 R HA 0.534 4.875 4.340 0.001 0.000 0.310 490 R C -1.285 175.018 176.300 0.006 0.000 0.955 490 R CA -0.712 55.414 56.100 0.043 0.000 0.851 490 R CB 1.570 31.883 30.300 0.021 0.000 1.161 490 R HN 0.353 nan 8.270 nan 0.000 0.446 491 L N 5.125 126.337 121.223 -0.019 0.000 2.287 491 L HA 0.401 4.741 4.340 0.001 0.000 0.280 491 L C -0.502 176.116 176.870 -0.420 0.000 1.055 491 L CA 0.120 54.850 54.840 -0.183 0.000 0.863 491 L CB 0.732 42.699 42.059 -0.154 0.000 1.245 491 L HN 0.538 nan 8.230 nan 0.000 0.432 492 I N 3.258 123.628 120.570 -0.332 0.000 2.304 492 I HA 0.272 4.443 4.170 0.001 0.000 0.291 492 I C -0.277 175.646 176.117 -0.324 0.000 1.018 492 I CA -0.316 60.844 61.300 -0.233 0.000 1.260 492 I CB 0.436 38.398 38.000 -0.063 0.000 1.390 492 I HN 0.258 nan 8.210 nan 0.000 0.475 493 F N 3.617 123.619 119.950 0.088 0.000 2.379 493 F HA 0.363 4.891 4.527 0.001 0.000 0.332 493 F C 1.490 177.354 175.800 0.105 0.000 1.096 493 F CA -0.410 57.665 58.000 0.124 0.000 1.105 493 F CB 1.230 40.365 39.000 0.225 0.000 1.189 493 F HN 0.527 nan 8.300 nan 0.000 0.515 494 A N 1.047 124.024 122.820 0.262 0.000 2.131 494 A HA -0.189 4.132 4.320 0.001 0.000 0.220 494 A C 1.743 179.413 177.584 0.142 0.000 1.158 494 A CA 1.811 53.938 52.037 0.151 0.000 0.665 494 A CB -0.886 18.183 19.000 0.115 0.000 0.795 494 A HN 0.812 nan 8.150 nan 0.000 0.460 495 D N -2.415 118.104 120.400 0.198 0.000 2.340 495 D HA 0.234 4.875 4.640 0.001 0.000 0.220 495 D C 1.165 177.571 176.300 0.178 0.000 1.039 495 D CA 1.023 55.127 54.000 0.173 0.000 0.866 495 D CB -0.261 40.641 40.800 0.171 0.000 0.913 495 D HN 0.731 nan 8.370 nan 0.000 0.523 496 G N -0.061 108.833 108.800 0.157 0.000 2.195 496 G HA2 -0.240 3.721 3.960 0.001 0.000 0.224 496 G HA3 -0.240 3.721 3.960 0.001 0.000 0.224 496 G C 0.314 175.327 174.900 0.187 0.000 0.990 496 G CA 0.121 45.268 45.100 0.078 0.000 0.639 496 G HN 0.399 nan 8.290 nan 0.000 0.514 497 S N 0.471 116.360 115.700 0.316 0.000 2.601 497 S HA 0.759 5.230 4.470 0.001 0.000 0.271 497 S C 0.478 175.321 174.600 0.405 0.000 1.305 497 S CA -0.075 58.331 58.200 0.343 0.000 1.022 497 S CB 1.254 64.657 63.200 0.337 0.000 0.940 497 S HN 0.560 nan 8.310 nan 0.000 0.525 498 R N 0.817 121.494 120.500 0.296 0.000 2.771 498 R HA 0.614 4.954 4.340 0.001 0.000 0.274 498 R C -1.258 175.152 176.300 0.183 0.000 0.987 498 R CA -0.615 55.631 56.100 0.243 0.000 0.908 498 R CB 1.640 32.008 30.300 0.114 0.000 1.213 498 R HN 0.487 nan 8.270 nan 0.000 0.468 499 I N 3.119 123.780 120.570 0.152 0.000 2.447 499 I HA 0.395 4.565 4.170 0.001 0.000 0.287 499 I C -0.991 175.112 176.117 -0.023 0.000 1.023 499 I CA -0.669 60.643 61.300 0.021 0.000 1.083 499 I CB 1.726 39.769 38.000 0.072 0.000 1.245 499 I HN 0.379 nan 8.210 nan 0.000 0.434 500 I N 6.105 126.621 120.570 -0.090 0.000 2.474 500 I HA 0.436 4.606 4.170 0.001 0.000 0.294 500 I C -0.926 175.146 176.117 -0.075 0.000 1.005 500 I CA -0.302 61.007 61.300 0.016 0.000 1.113 500 I CB 1.639 39.674 38.000 0.058 0.000 1.289 500 I HN 0.237 nan 8.210 nan 0.000 0.436 501 F N 4.426 124.448 119.950 0.119 0.000 2.467 501 F HA 0.639 5.167 4.527 0.000 0.000 0.336 501 F C 0.198 176.081 175.800 0.138 0.000 1.123 501 F CA -0.558 57.501 58.000 0.098 0.000 0.964 501 F CB 1.573 40.580 39.000 0.011 0.000 1.136 501 F HN 0.199 nan 8.300 nan 0.000 0.447 502 R N 3.102 123.802 120.500 0.335 0.000 2.502 502 R HA 0.402 4.742 4.340 0.001 0.000 0.300 502 R C -1.511 174.910 176.300 0.203 0.000 0.984 502 R CA -1.134 55.132 56.100 0.276 0.000 0.882 502 R CB 2.133 32.652 30.300 0.365 0.000 1.180 502 R HN 0.489 nan 8.270 nan 0.000 0.444 503 L N 3.979 125.296 121.223 0.157 0.000 2.375 503 L HA 0.110 4.450 4.340 0.001 0.000 0.276 503 L C 1.234 178.173 176.870 0.115 0.000 1.162 503 L CA 0.456 55.368 54.840 0.120 0.000 0.991 503 L CB 0.593 42.704 42.059 0.086 0.000 1.315 503 L HN 0.722 nan 8.230 nan 0.000 0.431 504 S N 1.880 117.654 115.700 0.124 0.000 2.335 504 S HA -0.009 4.461 4.470 0.001 0.000 0.216 504 S C 1.200 175.857 174.600 0.096 0.000 1.032 504 S CA 0.449 58.720 58.200 0.119 0.000 1.000 504 S CB -1.001 62.276 63.200 0.129 0.000 0.928 504 S HN 0.621 nan 8.310 nan 0.000 0.434 505 G N 2.259 111.112 108.800 0.087 0.000 2.588 505 G HA2 0.399 4.359 3.960 0.001 0.000 0.297 505 G HA3 0.399 4.359 3.960 0.001 0.000 0.297 505 G C 0.713 175.649 174.900 0.061 0.000 0.874 505 G CA 0.202 45.344 45.100 0.070 0.000 1.607 505 G HN 0.629 nan 8.290 nan 0.000 0.486 506 T N 0.959 115.546 114.554 0.056 0.000 3.065 506 T HA 0.107 4.457 4.350 0.001 0.000 0.234 506 T C 1.969 176.691 174.700 0.037 0.000 1.017 506 T CA 0.598 62.726 62.100 0.048 0.000 1.292 506 T CB -0.308 68.591 68.868 0.051 0.000 1.005 506 T HN 0.420 nan 8.240 nan 0.000 0.423 507 G N 1.810 110.630 108.800 0.033 0.000 2.991 507 G HA2 0.415 4.375 3.960 0.001 0.000 0.262 507 G HA3 0.415 4.375 3.960 0.001 0.000 0.262 507 G C -0.117 174.797 174.900 0.022 0.000 0.765 507 G CA 0.123 45.238 45.100 0.025 0.000 2.051 507 G HN 0.772 nan 8.290 nan 0.000 0.602 508 S N -0.950 114.764 115.700 0.023 0.000 2.558 508 S HA 0.529 4.999 4.470 0.001 0.000 0.277 508 S C 1.044 175.656 174.600 0.021 0.000 1.143 508 S CA 0.365 58.578 58.200 0.021 0.000 0.865 508 S CB 0.829 64.043 63.200 0.022 0.000 1.102 508 S HN 0.833 nan 8.310 nan 0.000 0.454 509 A N 2.469 125.300 122.820 0.017 0.000 1.986 509 A HA 0.214 4.534 4.320 0.001 0.000 0.220 509 A C 1.375 178.971 177.584 0.019 0.000 1.171 509 A CA 1.628 53.674 52.037 0.016 0.000 0.640 509 A CB -1.121 17.886 19.000 0.013 0.000 0.811 509 A HN 1.441 nan 8.150 nan 0.000 0.451 510 G N -0.239 108.575 108.800 0.023 0.000 2.696 510 G HA2 0.538 4.498 3.960 0.001 0.000 0.329 510 G HA3 0.538 4.498 3.960 0.001 0.000 0.329 510 G C 0.010 174.932 174.900 0.037 0.000 0.973 510 G CA 0.306 45.423 45.100 0.028 0.000 1.257 510 G HN 0.654 nan 8.290 nan 0.000 0.456 511 A N 2.668 125.511 122.820 0.039 0.000 2.304 511 A HA 0.796 5.116 4.320 0.001 0.000 0.271 511 A C 0.522 178.146 177.584 0.066 0.000 1.091 511 A CA -0.297 51.769 52.037 0.049 0.000 0.812 511 A CB 0.748 19.773 19.000 0.041 0.000 1.056 511 A HN 0.538 nan 8.150 nan 0.000 0.489 512 T N 2.000 116.602 114.554 0.079 0.000 2.815 512 T HA 0.499 4.849 4.350 0.001 0.000 0.289 512 T C -0.274 174.498 174.700 0.120 0.000 1.000 512 T CA 0.021 62.181 62.100 0.101 0.000 0.958 512 T CB 0.414 69.339 68.868 0.095 0.000 0.944 512 T HN 0.415 nan 8.240 nan 0.000 0.442 513 I N 3.958 124.625 120.570 0.161 0.000 2.312 513 I HA 0.294 4.464 4.170 0.001 0.000 0.291 513 I C 0.644 176.884 176.117 0.205 0.000 1.031 513 I CA -0.611 60.797 61.300 0.180 0.000 1.293 513 I CB 0.552 38.631 38.000 0.131 0.000 1.403 513 I HN 0.333 nan 8.210 nan 0.000 0.484 514 R N 6.304 126.861 120.500 0.095 0.000 2.207 514 R HA 0.456 4.797 4.340 0.001 0.000 0.334 514 R C -0.994 175.135 176.300 -0.286 0.000 1.013 514 R CA -0.942 55.091 56.100 -0.110 0.000 0.858 514 R CB 1.560 31.777 30.300 -0.138 0.000 1.094 514 R HN 0.371 nan 8.270 nan 0.000 0.457 515 L N 4.526 125.553 121.223 -0.326 0.000 2.276 515 L HA 0.349 4.689 4.340 0.001 0.000 0.286 515 L C -1.432 175.090 176.870 -0.580 0.000 1.024 515 L CA -0.844 53.728 54.840 -0.445 0.000 0.826 515 L CB 0.524 42.448 42.059 -0.224 0.000 1.211 515 L HN 0.415 nan 8.230 nan 0.000 0.422 516 Y N 6.062 126.169 120.300 -0.322 0.000 2.335 516 Y HA 0.567 5.117 4.550 0.000 0.000 0.339 516 Y C -0.007 175.660 175.900 -0.389 0.000 0.987 516 Y CA -0.976 56.927 58.100 -0.329 0.000 1.140 516 Y CB 1.075 39.474 38.460 -0.101 0.000 1.173 516 Y HN 0.300 nan 8.280 nan 0.000 0.486 517 I N 3.530 123.863 120.570 -0.396 0.000 2.362 517 I HA 0.190 4.360 4.170 0.001 0.000 0.289 517 I C -0.689 175.321 176.117 -0.179 0.000 0.994 517 I CA -0.763 60.356 61.300 -0.300 0.000 1.158 517 I CB 1.452 39.223 38.000 -0.382 0.000 1.315 517 I HN 0.621 nan 8.210 nan 0.000 0.451 518 D N 4.459 124.888 120.400 0.048 0.000 2.462 518 D HA 0.214 4.854 4.640 0.001 0.000 0.245 518 D C -0.723 175.695 176.300 0.196 0.000 1.122 518 D CA -0.085 54.062 54.000 0.244 0.000 0.864 518 D CB 1.259 42.264 40.800 0.342 0.000 1.098 518 D HN 0.361 nan 8.370 nan 0.000 0.541 519 S N 4.263 120.091 115.700 0.213 0.000 2.461 519 S HA 0.253 4.723 4.470 0.001 0.000 0.322 519 S C -0.945 173.853 174.600 0.330 0.000 1.063 519 S CA -0.679 57.658 58.200 0.228 0.000 1.120 519 S CB -0.074 63.208 63.200 0.136 0.000 0.968 519 S HN 0.426 nan 8.310 nan 0.000 0.467 520 Y N 4.087 124.504 120.300 0.195 0.000 2.377 520 Y HA 0.458 5.008 4.550 0.000 0.000 0.330 520 Y C 0.053 176.056 175.900 0.172 0.000 1.108 520 Y CA -0.141 58.056 58.100 0.162 0.000 1.308 520 Y CB 0.775 39.314 38.460 0.131 0.000 1.216 520 Y HN 0.660 nan 8.280 nan 0.000 0.518 521 E N 4.948 124.821 120.200 -0.545 0.000 2.373 521 E HA 0.216 4.566 4.350 0.001 0.000 0.251 521 E C -0.181 176.100 176.600 -0.531 0.000 0.923 521 E CA -0.487 55.702 56.400 -0.351 0.000 0.798 521 E CB 1.092 30.841 29.700 0.081 0.000 1.303 521 E HN 0.560 nan 8.360 nan 0.000 0.412 522 K N 2.526 122.621 120.400 -0.508 0.000 2.432 522 K HA 0.036 4.357 4.320 0.001 0.000 0.196 522 K C 0.059 176.593 176.600 -0.110 0.000 1.038 522 K CA 0.202 56.332 56.287 -0.261 0.000 0.986 522 K CB 0.193 32.666 32.500 -0.045 0.000 0.782 522 K HN 0.441 nan 8.250 nan 0.000 0.485 523 D N 1.029 121.381 120.400 -0.079 0.000 2.356 523 D HA -0.060 4.580 4.640 0.001 0.000 0.272 523 D C 0.129 176.430 176.300 0.002 0.000 1.337 523 D CA 0.282 54.266 54.000 -0.026 0.000 0.970 523 D CB 0.075 40.868 40.800 -0.011 0.000 1.092 523 D HN 0.272 nan 8.370 nan 0.000 0.516 524 N N 2.494 121.198 118.700 0.006 0.000 2.247 524 N HA -0.230 4.510 4.740 0.001 0.000 0.189 524 N C 1.444 177.008 175.510 0.091 0.000 1.009 524 N CA 1.061 54.148 53.050 0.060 0.000 0.872 524 N CB 0.207 38.734 38.487 0.068 0.000 0.980 524 N HN 0.450 nan 8.380 nan 0.000 0.436 525 A N 1.410 124.269 122.820 0.065 0.000 1.930 525 A HA -0.048 4.272 4.320 0.001 0.000 0.215 525 A C 2.002 179.632 177.584 0.076 0.000 1.176 525 A CA 0.925 53.003 52.037 0.069 0.000 0.632 525 A CB -0.021 19.006 19.000 0.045 0.000 0.819 525 A HN 0.157 nan 8.150 nan 0.000 0.445 526 K N 0.130 120.571 120.400 0.067 0.000 2.296 526 K HA 0.033 4.353 4.320 0.001 0.000 0.200 526 K C 1.724 178.437 176.600 0.188 0.000 1.048 526 K CA 1.108 57.447 56.287 0.086 0.000 0.966 526 K CB -0.362 32.169 32.500 0.051 0.000 0.754 526 K HN 0.793 nan 8.250 nan 0.000 0.466 527 I N -1.166 119.485 120.570 0.135 0.000 2.567 527 I HA -0.158 4.012 4.170 0.001 0.000 0.257 527 I C 0.578 176.728 176.117 0.054 0.000 1.184 527 I CA 1.295 62.618 61.300 0.038 0.000 1.451 527 I CB -0.149 37.879 38.000 0.047 0.000 1.089 527 I HN -0.008 nan 8.210 nan 0.000 0.441 528 N N 2.568 121.377 118.700 0.182 0.000 2.920 528 N HA 0.252 4.992 4.740 0.001 0.000 0.310 528 N C -0.542 175.087 175.510 0.198 0.000 1.384 528 N CA 0.057 53.245 53.050 0.229 0.000 1.083 528 N CB 0.537 39.181 38.487 0.261 0.000 1.389 528 N HN 0.601 nan 8.380 nan 0.000 0.521 529 Q N -0.335 119.598 119.800 0.222 0.000 2.495 529 Q HA 0.210 4.550 4.340 0.001 0.000 0.283 529 Q C -0.691 175.417 176.000 0.180 0.000 1.097 529 Q CA -0.739 55.160 55.803 0.160 0.000 0.836 529 Q CB 1.933 30.716 28.738 0.075 0.000 1.426 529 Q HN 0.202 nan 8.270 nan 0.000 0.459 530 D N 1.486 121.936 120.400 0.083 0.000 2.382 530 D HA 0.022 4.662 4.640 0.001 0.000 0.259 530 D C -1.678 174.643 176.300 0.035 0.000 1.224 530 D CA -1.382 52.660 54.000 0.070 0.000 0.894 530 D CB 1.135 41.949 40.800 0.022 0.000 1.127 530 D HN 0.134 nan 8.370 nan 0.000 0.487 531 P HA -0.188 nan 4.420 nan 0.000 0.216 531 P C 1.244 178.515 177.300 -0.049 0.000 1.150 531 P CA 1.102 64.302 63.100 0.168 0.000 0.843 531 P CB 0.304 32.182 31.700 0.295 0.000 0.787 532 Q N -0.763 119.022 119.800 -0.024 0.000 2.119 532 Q HA -0.060 4.280 4.340 0.001 0.000 0.201 532 Q C 2.230 178.175 176.000 -0.092 0.000 0.972 532 Q CA 1.040 56.816 55.803 -0.044 0.000 0.847 532 Q CB -1.239 27.490 28.738 -0.015 0.000 0.903 532 Q HN 0.187 nan 8.270 nan 0.000 0.433 533 V N 0.871 120.723 119.914 -0.105 0.000 2.358 533 V HA -0.219 3.901 4.120 0.001 0.000 0.246 533 V C 2.201 178.174 176.094 -0.201 0.000 1.047 533 V CA 1.336 63.565 62.300 -0.119 0.000 1.035 533 V CB -0.404 31.363 31.823 -0.093 0.000 0.658 533 V HN 0.314 nan 8.190 nan 0.000 0.452 534 M N -0.945 118.445 119.600 -0.351 0.000 2.288 534 M HA 0.041 4.521 4.480 0.001 0.000 0.266 534 M C 2.012 178.073 176.300 -0.398 0.000 1.072 534 M CA 1.522 56.515 55.300 -0.512 0.000 1.132 534 M CB -0.894 30.995 32.600 -1.185 0.000 1.386 534 M HN 0.267 nan 8.290 nan 0.000 0.432 535 L N -0.201 120.825 121.223 -0.327 0.000 2.492 535 L HA 0.053 4.394 4.340 0.001 0.000 0.223 535 L C 2.592 179.346 176.870 -0.193 0.000 1.132 535 L CA 0.051 54.755 54.840 -0.227 0.000 0.850 535 L CB -0.657 41.295 42.059 -0.179 0.000 0.966 535 L HN 0.204 nan 8.230 nan 0.000 0.454 536 A N 1.308 124.035 122.820 -0.154 0.000 1.873 536 A HA -0.162 4.158 4.320 0.001 0.000 0.218 536 A C -0.080 177.436 177.584 -0.112 0.000 1.193 536 A CA 1.824 53.794 52.037 -0.112 0.000 0.629 536 A CB -1.776 17.176 19.000 -0.079 0.000 0.826 536 A HN 0.263 nan 8.150 nan 0.000 0.447 537 P HA -0.135 nan 4.420 nan 0.000 0.215 537 P C 1.541 178.742 177.300 -0.165 0.000 1.157 537 P CA 0.826 63.887 63.100 -0.064 0.000 0.868 537 P CB -0.093 31.620 31.700 0.021 0.000 0.788 538 L N -1.252 119.801 121.223 -0.284 0.000 2.217 538 L HA -0.016 4.325 4.340 0.001 0.000 0.211 538 L C 2.177 178.836 176.870 -0.351 0.000 1.107 538 L CA 1.333 55.876 54.840 -0.495 0.000 0.783 538 L CB -1.015 40.695 42.059 -0.582 0.000 0.919 538 L HN -0.122 nan 8.230 nan 0.000 0.442 539 I N -1.813 118.584 120.570 -0.287 0.000 2.202 539 I HA -0.269 3.902 4.170 0.001 0.000 0.242 539 I C 2.627 178.637 176.117 -0.178 0.000 1.091 539 I CA 1.302 62.425 61.300 -0.294 0.000 1.368 539 I CB -0.513 37.292 38.000 -0.326 0.000 1.058 539 I HN 0.282 nan 8.210 nan 0.000 0.410 540 S N 1.436 117.063 115.700 -0.122 0.000 2.365 540 S HA -0.208 4.262 4.470 0.001 0.000 0.225 540 S C 2.108 176.678 174.600 -0.051 0.000 1.039 540 S CA 1.546 59.712 58.200 -0.056 0.000 1.033 540 S CB -0.432 62.747 63.200 -0.035 0.000 0.887 540 S HN 0.348 nan 8.310 nan 0.000 0.447 541 I N 1.660 122.170 120.570 -0.100 0.000 2.226 541 I HA -0.174 3.997 4.170 0.001 0.000 0.245 541 I C 2.878 178.934 176.117 -0.102 0.000 1.100 541 I CA 1.135 62.368 61.300 -0.112 0.000 1.374 541 I CB -0.587 37.275 38.000 -0.230 0.000 1.057 541 I HN 0.436 nan 8.210 nan 0.000 0.413 542 A N 0.885 123.647 122.820 -0.097 0.000 1.902 542 A HA -0.164 4.157 4.320 0.001 0.000 0.217 542 A C 2.270 179.947 177.584 0.156 0.000 1.181 542 A CA 1.471 53.538 52.037 0.050 0.000 0.623 542 A CB -0.816 18.118 19.000 -0.110 0.000 0.818 542 A HN 0.404 nan 8.150 nan 0.000 0.443 543 L N -0.960 120.296 121.223 0.055 0.000 2.141 543 L HA -0.157 4.183 4.340 0.001 0.000 0.209 543 L C 2.543 179.436 176.870 0.038 0.000 1.094 543 L CA 1.417 56.295 54.840 0.064 0.000 0.763 543 L CB -0.379 41.709 42.059 0.048 0.000 0.908 543 L HN 0.338 nan 8.230 nan 0.000 0.437 544 K N 0.078 120.499 120.400 0.034 0.000 1.984 544 K HA -0.123 4.198 4.320 0.001 0.000 0.209 544 K C 2.039 178.662 176.600 0.038 0.000 1.046 544 K CA 1.690 58.004 56.287 0.044 0.000 0.934 544 K CB -0.380 32.167 32.500 0.078 0.000 0.717 544 K HN 0.235 nan 8.250 nan 0.000 0.438 545 V N 0.105 120.038 119.914 0.032 0.000 2.594 545 V HA -0.201 3.919 4.120 0.001 0.000 0.253 545 V C 2.143 178.173 176.094 -0.105 0.000 1.069 545 V CA 2.084 64.387 62.300 0.005 0.000 1.082 545 V CB -0.824 30.999 31.823 -0.001 0.000 0.680 545 V HN 0.310 nan 8.190 nan 0.000 0.469 546 S N -1.481 114.143 115.700 -0.127 0.000 2.501 546 S HA -0.051 4.419 4.470 0.001 0.000 0.220 546 S C 1.272 175.766 174.600 -0.177 0.000 0.997 546 S CA 0.510 58.542 58.200 -0.280 0.000 0.919 546 S CB -0.352 62.634 63.200 -0.357 0.000 0.778 546 S HN 0.616 nan 8.310 nan 0.000 0.523 547 Q N -0.206 119.540 119.800 -0.089 0.000 2.461 547 Q HA -0.213 4.127 4.340 0.001 0.000 0.273 547 Q C 0.724 176.675 176.000 -0.081 0.000 1.163 547 Q CA 0.811 56.573 55.803 -0.067 0.000 0.929 547 Q CB -2.343 26.353 28.738 -0.069 0.000 1.334 547 Q HN 0.698 nan 8.270 nan 0.000 0.499 548 L N 0.383 121.552 121.223 -0.090 0.000 1.997 548 L HA -0.302 4.039 4.340 0.001 0.000 0.216 548 L C 2.575 179.380 176.870 -0.110 0.000 1.074 548 L CA 2.709 57.470 54.840 -0.131 0.000 0.763 548 L CB -0.219 41.745 42.059 -0.158 0.000 0.890 548 L HN 0.455 nan 8.230 nan 0.000 0.434 549 Q N -0.617 119.148 119.800 -0.059 0.000 2.135 549 Q HA -0.291 4.050 4.340 0.001 0.000 0.204 549 Q C 1.961 177.944 176.000 -0.030 0.000 0.981 549 Q CA 2.151 57.936 55.803 -0.029 0.000 0.856 549 Q CB 0.022 28.762 28.738 0.003 0.000 0.902 549 Q HN 0.583 nan 8.270 nan 0.000 0.425 550 E N -0.443 119.737 120.200 -0.033 0.000 2.150 550 E HA -0.117 4.234 4.350 0.001 0.000 0.193 550 E C 1.898 178.476 176.600 -0.038 0.000 0.985 550 E CA 0.855 57.237 56.400 -0.029 0.000 0.814 550 E CB 0.166 29.849 29.700 -0.028 0.000 0.752 550 E HN 0.195 nan 8.360 nan 0.000 0.466 551 R N -0.451 120.016 120.500 -0.056 0.000 2.210 551 R HA 0.093 4.434 4.340 0.001 0.000 0.203 551 R C 1.827 178.096 176.300 -0.053 0.000 1.010 551 R CA 1.500 57.565 56.100 -0.058 0.000 1.008 551 R CB -0.036 30.216 30.300 -0.078 0.000 0.923 551 R HN 0.339 nan 8.270 nan 0.000 0.469 552 T N -4.631 109.887 114.554 -0.060 0.000 2.975 552 T HA 0.222 4.572 4.350 0.001 0.000 0.257 552 T C 1.339 176.029 174.700 -0.016 0.000 1.003 552 T CA 0.641 62.714 62.100 -0.045 0.000 0.932 552 T CB 0.826 69.644 68.868 -0.083 0.000 1.087 552 T HN 0.278 nan 8.240 nan 0.000 0.512 553 G N 2.298 111.090 108.800 -0.014 0.000 2.184 553 G HA2 -0.248 3.712 3.960 0.001 0.000 0.264 553 G HA3 -0.248 3.712 3.960 0.001 0.000 0.264 553 G C 0.162 175.075 174.900 0.023 0.000 0.975 553 G CA -0.143 44.959 45.100 0.003 0.000 0.642 553 G HN 0.599 nan 8.290 nan 0.000 0.536 554 R N 1.053 121.574 120.500 0.035 0.000 2.248 554 R HA 0.383 4.724 4.340 0.001 0.000 0.328 554 R C 1.624 177.985 176.300 0.103 0.000 1.067 554 R CA 0.583 56.740 56.100 0.096 0.000 0.924 554 R CB 0.616 31.043 30.300 0.212 0.000 1.013 554 R HN 0.489 nan 8.270 nan 0.000 0.454 555 T N -1.316 113.286 114.554 0.079 0.000 3.100 555 T HA 0.333 4.683 4.350 0.001 0.000 0.253 555 T C 0.647 175.397 174.700 0.082 0.000 1.118 555 T CA 0.206 62.347 62.100 0.069 0.000 1.058 555 T CB 0.357 69.246 68.868 0.036 0.000 0.953 555 T HN 0.528 nan 8.240 nan 0.000 0.515 556 A N 1.668 124.543 122.820 0.091 0.000 2.604 556 A HA 0.724 5.044 4.320 0.001 0.000 0.295 556 A C -3.082 174.456 177.584 -0.077 0.000 1.067 556 A CA -1.686 50.358 52.037 0.012 0.000 0.683 556 A CB 1.029 19.996 19.000 -0.055 0.000 1.281 556 A HN 0.133 nan 8.150 nan 0.000 0.407 557 P HA 0.353 nan 4.420 nan 0.000 0.276 557 P C 0.563 177.565 177.300 -0.496 0.000 1.244 557 P CA -0.020 62.599 63.100 -0.801 0.000 0.801 557 P CB 0.790 31.827 31.700 -1.105 0.000 1.006 558 T N -0.514 113.781 114.554 -0.432 0.000 2.812 558 T HA 0.056 4.406 4.350 0.001 0.000 0.264 558 T C 0.806 175.344 174.700 -0.270 0.000 1.042 558 T CA 0.949 62.897 62.100 -0.254 0.000 1.140 558 T CB -0.041 68.731 68.868 -0.161 0.000 0.870 558 T HN 0.214 nan 8.240 nan 0.000 0.445 559 V N 1.366 121.091 119.914 -0.315 0.000 2.638 559 V HA 0.473 4.594 4.120 0.001 0.000 0.306 559 V C -0.884 175.012 176.094 -0.330 0.000 1.052 559 V CA -0.992 61.147 62.300 -0.268 0.000 0.885 559 V CB 2.286 34.011 31.823 -0.164 0.000 0.999 559 V HN 0.273 nan 8.190 nan 0.000 0.424 560 I N 3.715 124.097 120.570 -0.313 0.000 2.378 560 I HA 0.561 4.732 4.170 0.001 0.000 0.291 560 I C 0.246 176.272 176.117 -0.152 0.000 0.992 560 I CA 0.047 61.165 61.300 -0.304 0.000 1.154 560 I CB 2.102 39.877 38.000 -0.376 0.000 1.315 560 I HN 0.603 nan 8.210 nan 0.000 0.448 561 T N 0.000 114.514 114.554 -0.067 0.000 3.816 561 T HA 0.000 4.350 4.350 0.001 0.000 0.228 561 T CA 0.000 62.103 62.100 0.004 0.000 1.349 561 T CB 0.000 68.937 68.868 0.114 0.000 0.612 561 T HN 0.000 nan 8.240 nan 0.000 0.658