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 1c4g_1_A 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 0.000 176.102 176.094 0.013 0.000 1.182 1 V CA 0.000 62.323 62.300 0.038 0.000 1.235 1 V CB 0.000 31.838 31.823 0.026 0.000 1.184 2 K N 3.553 123.952 120.400 -0.003 0.000 2.168 2 K HA 0.716 5.036 4.320 -0.000 0.000 0.258 2 K C -0.759 175.825 176.600 -0.026 0.000 1.010 2 K CA -0.428 55.853 56.287 -0.010 0.000 0.929 2 K CB 1.596 34.089 32.500 -0.011 0.000 0.998 2 K HN 0.691 nan 8.250 nan 0.000 0.479 3 I N 1.919 122.472 120.570 -0.027 0.000 2.406 3 I HA 0.257 4.427 4.170 -0.000 0.000 0.290 3 I C -0.926 175.165 176.117 -0.043 0.000 0.999 3 I CA -1.005 60.271 61.300 -0.040 0.000 1.124 3 I CB 1.932 39.910 38.000 -0.037 0.000 1.289 3 I HN 0.225 nan 8.210 nan 0.000 0.441 4 V N 5.470 125.350 119.914 -0.056 0.000 2.577 4 V HA 0.362 4.482 4.120 -0.000 0.000 0.303 4 V C -0.224 175.803 176.094 -0.111 0.000 1.042 4 V CA -0.213 62.044 62.300 -0.072 0.000 0.872 4 V CB 2.221 34.004 31.823 -0.068 0.000 0.998 4 V HN 0.794 nan 8.190 nan 0.000 0.423 5 T N 6.555 121.041 114.554 -0.113 0.000 2.863 5 T HA 0.366 4.716 4.350 -0.000 0.000 0.299 5 T C -0.376 174.186 174.700 -0.230 0.000 0.973 5 T CA -0.088 61.919 62.100 -0.155 0.000 0.994 5 T CB -0.127 68.682 68.868 -0.098 0.000 0.961 5 T HN 0.585 nan 8.240 nan 0.000 0.552 6 V N 8.154 127.810 119.914 -0.430 0.000 2.405 6 V HA 0.255 4.375 4.120 -0.000 0.000 0.264 6 V C 0.733 176.555 176.094 -0.453 0.000 1.048 6 V CA -0.680 61.317 62.300 -0.504 0.000 0.966 6 V CB 0.528 31.909 31.823 -0.737 0.000 1.015 6 V HN 0.698 nan 8.190 nan 0.000 0.477 7 K N 3.062 123.339 120.400 -0.205 0.000 2.401 7 K HA 0.315 4.635 4.320 -0.000 0.000 0.278 7 K C 0.203 176.787 176.600 -0.026 0.000 1.018 7 K CA 0.205 56.434 56.287 -0.096 0.000 0.981 7 K CB 1.340 33.808 32.500 -0.054 0.000 0.933 7 K HN 0.768 nan 8.250 nan 0.000 0.477 8 T N 0.838 115.428 114.554 0.059 0.000 2.693 8 T HA 0.467 4.817 4.350 -0.000 0.000 0.278 8 T C -1.592 173.168 174.700 0.100 0.000 0.994 8 T CA -0.839 61.347 62.100 0.143 0.000 1.033 8 T CB 1.084 70.141 68.868 0.316 0.000 1.342 8 T HN 0.602 nan 8.240 nan 0.000 0.538 9 K N 1.247 121.711 120.400 0.108 0.000 2.471 9 K HA 0.761 5.081 4.320 -0.000 0.000 0.252 9 K C -0.229 176.393 176.600 0.037 0.000 0.938 9 K CA -0.787 55.521 56.287 0.036 0.000 0.796 9 K CB 1.780 34.266 32.500 -0.023 0.000 1.161 9 K HN 0.728 nan 8.250 nan 0.000 0.425 10 A N 3.057 125.892 122.820 0.025 0.000 2.504 10 A HA 0.211 4.531 4.320 -0.000 0.000 0.242 10 A C -0.993 176.589 177.584 -0.003 0.000 1.100 10 A CA 0.400 52.477 52.037 0.065 0.000 0.786 10 A CB -0.183 18.830 19.000 0.022 0.000 1.050 10 A HN 0.685 nan 8.150 nan 0.000 0.512 11 Y N -0.331 119.941 120.300 -0.046 0.000 2.499 11 Y HA 0.436 4.986 4.550 -0.000 0.000 0.347 11 Y C -1.356 174.549 175.900 0.009 0.000 0.987 11 Y CA -1.417 56.651 58.100 -0.054 0.000 1.044 11 Y CB 2.299 40.632 38.460 -0.212 0.000 1.245 11 Y HN 0.545 nan 8.280 nan 0.000 0.461 12 P HA -0.061 nan 4.420 nan 0.000 0.214 12 P C 0.533 178.015 177.300 0.304 0.000 1.152 12 P CA 1.194 64.413 63.100 0.198 0.000 0.874 12 P CB 0.258 32.038 31.700 0.134 0.000 0.782 13 D N -0.127 120.421 120.400 0.247 0.000 2.358 13 D HA -0.124 4.516 4.640 -0.000 0.000 0.241 13 D C 0.843 177.231 176.300 0.145 0.000 1.094 13 D CA 0.254 54.374 54.000 0.201 0.000 0.907 13 D CB -0.922 39.996 40.800 0.197 0.000 0.893 13 D HN 0.248 nan 8.370 nan 0.000 0.528 14 Q N 0.477 120.373 119.800 0.159 0.000 2.639 14 Q HA 0.061 4.401 4.340 -0.000 0.000 0.301 14 Q C -0.259 175.834 176.000 0.155 0.000 1.029 14 Q CA -0.104 55.745 55.803 0.076 0.000 0.936 14 Q CB 0.072 28.855 28.738 0.075 0.000 1.354 14 Q HN 0.129 nan 8.270 nan 0.000 0.417 15 K N 1.483 121.778 120.400 -0.174 0.000 2.206 15 K HA 0.390 4.710 4.320 -0.000 0.000 0.264 15 K C -2.695 173.770 176.600 -0.225 0.000 0.967 15 K CA -2.151 53.811 56.287 -0.540 0.000 0.844 15 K CB 1.226 32.907 32.500 -1.365 0.000 1.099 15 K HN -0.002 nan 8.250 nan 0.000 0.441 16 P HA 0.134 nan 4.420 nan 0.000 0.272 16 P C -0.201 177.085 177.300 -0.023 0.000 1.223 16 P CA -0.345 62.764 63.100 0.015 0.000 0.784 16 P CB 1.065 32.853 31.700 0.148 0.000 0.923 17 G N 0.126 108.929 108.800 0.005 0.000 2.882 17 G HA2 0.247 4.207 3.960 -0.000 0.000 0.164 17 G HA3 0.247 4.207 3.960 -0.000 0.000 0.164 17 G C 1.016 175.943 174.900 0.045 0.000 1.429 17 G CA 0.244 45.355 45.100 0.019 0.000 1.059 17 G HN 0.464 nan 8.290 nan 0.000 0.581 18 T N -2.639 111.952 114.554 0.061 0.000 2.833 18 T HA 0.041 4.391 4.350 -0.000 0.000 0.269 18 T C 1.131 175.866 174.700 0.059 0.000 1.054 18 T CA 1.585 63.725 62.100 0.067 0.000 1.135 18 T CB -0.050 68.866 68.868 0.079 0.000 0.869 18 T HN 0.440 nan 8.240 nan 0.000 0.466 19 S N 0.285 116.024 115.700 0.065 0.000 2.620 19 S HA 0.557 5.027 4.470 -0.000 0.000 0.244 19 S C 0.065 174.695 174.600 0.051 0.000 1.192 19 S CA 0.046 58.281 58.200 0.059 0.000 1.148 19 S CB 0.091 63.334 63.200 0.071 0.000 1.106 19 S HN 1.240 nan 8.310 nan 0.000 0.474 20 G N 2.479 111.320 108.800 0.068 0.000 2.814 20 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.677 20 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.677 20 G C -0.840 174.078 174.900 0.031 0.000 1.429 20 G CA -0.331 44.816 45.100 0.077 0.000 0.868 20 G HN 1.346 nan 8.290 nan 0.000 0.553 21 L N 0.596 121.808 121.223 -0.018 0.000 2.260 21 L HA 0.820 5.160 4.340 -0.000 0.000 0.289 21 L C 0.584 177.408 176.870 -0.077 0.000 1.057 21 L CA -0.494 54.261 54.840 -0.143 0.000 0.811 21 L CB 0.446 42.162 42.059 -0.572 0.000 1.184 21 L HN 0.636 nan 8.230 nan 0.000 0.429 22 R N 4.514 124.999 120.500 -0.025 0.000 2.561 22 R HA 0.751 5.091 4.340 -0.000 0.000 0.297 22 R C -1.022 175.326 176.300 0.080 0.000 0.969 22 R CA -0.994 55.118 56.100 0.021 0.000 0.879 22 R CB 2.008 32.283 30.300 -0.042 0.000 1.178 22 R HN 0.442 nan 8.270 nan 0.000 0.445 23 K N 0.688 121.219 120.400 0.218 0.000 2.522 23 K HA 0.394 4.714 4.320 -0.000 0.000 0.275 23 K C -0.996 175.732 176.600 0.213 0.000 1.006 23 K CA -0.980 55.391 56.287 0.141 0.000 0.890 23 K CB 2.019 34.453 32.500 -0.108 0.000 1.475 23 K HN 0.306 nan 8.250 nan 0.000 0.441 24 R N 0.793 121.332 120.500 0.065 0.000 2.537 24 R HA -0.005 4.335 4.340 -0.000 0.000 0.280 24 R C 1.335 177.730 176.300 0.158 0.000 1.058 24 R CA 0.222 56.363 56.100 0.067 0.000 1.057 24 R CB 0.357 30.652 30.300 -0.009 0.000 0.973 24 R HN 0.535 nan 8.270 nan 0.000 0.438 25 V N 1.633 121.643 119.914 0.160 0.000 2.439 25 V HA -0.357 3.763 4.120 -0.000 0.000 0.253 25 V C 1.534 177.645 176.094 0.028 0.000 1.074 25 V CA 1.743 64.120 62.300 0.128 0.000 1.076 25 V CB -0.593 31.270 31.823 0.067 0.000 0.664 25 V HN 0.733 nan 8.190 nan 0.000 0.461 26 K N 0.805 121.190 120.400 -0.025 0.000 2.097 26 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 26 K C 2.031 178.535 176.600 -0.161 0.000 1.049 26 K CA 1.624 57.866 56.287 -0.075 0.000 0.933 26 K CB -0.599 31.863 32.500 -0.064 0.000 0.717 26 K HN 0.502 nan 8.250 nan 0.000 0.442 27 V N 0.802 120.559 119.914 -0.262 0.000 2.867 27 V HA -0.182 3.938 4.120 -0.000 0.000 0.260 27 V C 1.571 177.104 176.094 -0.935 0.000 1.099 27 V CA 1.520 63.477 62.300 -0.573 0.000 1.122 27 V CB -0.686 30.697 31.823 -0.733 0.000 0.708 27 V HN 0.175 nan 8.190 nan 0.000 0.490 28 F N -0.241 119.384 119.950 -0.542 0.000 2.317 28 F HA 0.033 4.559 4.527 -0.000 0.000 0.290 28 F C 2.523 178.067 175.800 -0.427 0.000 1.075 28 F CA 0.926 58.572 58.000 -0.588 0.000 1.380 28 F CB -0.165 38.296 39.000 -0.898 0.000 1.093 28 F HN 0.038 nan 8.300 nan 0.000 0.524 29 Q N -0.130 119.560 119.800 -0.184 0.000 2.008 29 Q HA -0.093 4.247 4.340 -0.000 0.000 0.196 29 Q C 2.251 178.243 176.000 -0.013 0.000 0.973 29 Q CA 1.726 57.494 55.803 -0.057 0.000 0.826 29 Q CB -0.428 28.301 28.738 -0.014 0.000 0.894 29 Q HN 0.217 nan 8.270 nan 0.000 0.439 30 S N 1.008 116.686 115.700 -0.037 0.000 2.399 30 S HA -0.050 4.420 4.470 -0.000 0.000 0.231 30 S C 1.089 175.703 174.600 0.024 0.000 1.022 30 S CA 0.284 58.480 58.200 -0.007 0.000 0.983 30 S CB -0.033 63.154 63.200 -0.022 0.000 0.803 30 S HN 0.093 nan 8.310 nan 0.000 0.480 31 S N 2.389 118.091 115.700 0.003 0.000 2.455 31 S HA 0.152 4.622 4.470 -0.000 0.000 0.278 31 S C 0.105 174.821 174.600 0.194 0.000 1.216 31 S CA -0.328 57.955 58.200 0.138 0.000 1.055 31 S CB 0.243 63.546 63.200 0.171 0.000 0.939 31 S HN 0.386 nan 8.310 nan 0.000 0.494 32 T N 5.623 120.317 114.554 0.233 0.000 2.758 32 T HA 0.030 4.380 4.350 -0.000 0.000 0.249 32 T C 0.578 175.438 174.700 0.267 0.000 1.011 32 T CA 0.299 62.525 62.100 0.211 0.000 1.301 32 T CB -1.428 67.542 68.868 0.169 0.000 0.992 32 T HN 0.909 nan 8.240 nan 0.000 0.549 33 N N 0.321 119.139 118.700 0.197 0.000 2.699 33 N HA -0.263 4.477 4.740 -0.000 0.000 0.257 33 N C -0.171 175.382 175.510 0.072 0.000 1.077 33 N CA 0.658 53.801 53.050 0.156 0.000 0.702 33 N CB -2.187 36.406 38.487 0.176 0.000 0.886 33 N HN 0.646 nan 8.380 nan 0.000 0.549 34 Y N 0.306 120.480 120.300 -0.211 0.000 2.206 34 Y HA 0.213 4.763 4.550 -0.000 0.000 0.292 34 Y C 2.368 178.129 175.900 -0.231 0.000 1.123 34 Y CA 1.814 59.579 58.100 -0.559 0.000 1.142 34 Y CB -0.380 37.688 38.460 -0.652 0.000 1.006 34 Y HN 0.577 nan 8.280 nan 0.000 0.518 35 A N 0.191 123.166 122.820 0.258 0.000 1.930 35 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 35 A C 1.872 179.515 177.584 0.099 0.000 1.175 35 A CA 1.838 54.070 52.037 0.325 0.000 0.627 35 A CB -0.659 18.622 19.000 0.468 0.000 0.815 35 A HN 0.555 nan 8.150 nan 0.000 0.443 36 E N 0.564 120.726 120.200 -0.064 0.000 2.097 36 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 36 E C 1.926 178.313 176.600 -0.355 0.000 1.000 36 E CA 1.594 57.781 56.400 -0.356 0.000 0.804 36 E CB -0.204 29.068 29.700 -0.714 0.000 0.740 36 E HN 0.641 nan 8.360 nan 0.000 0.454 37 N N -0.421 118.159 118.700 -0.201 0.000 2.135 37 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 37 N C 1.731 177.206 175.510 -0.058 0.000 1.027 37 N CA 0.783 53.774 53.050 -0.098 0.000 0.849 37 N CB -0.273 38.202 38.487 -0.021 0.000 1.002 37 N HN 0.107 nan 8.380 nan 0.000 0.425 38 F N 2.106 121.972 119.950 -0.140 0.000 2.202 38 F HA -0.063 4.464 4.527 -0.000 0.000 0.301 38 F C 2.147 177.909 175.800 -0.063 0.000 1.082 38 F CA 0.914 58.865 58.000 -0.082 0.000 1.313 38 F CB -0.126 38.859 39.000 -0.025 0.000 1.024 38 F HN -0.052 nan 8.300 nan 0.000 0.495 39 I N -0.477 120.116 120.570 0.039 0.000 2.233 39 I HA -0.277 3.893 4.170 -0.000 0.000 0.243 39 I C 2.407 178.443 176.117 -0.134 0.000 1.093 39 I CA 1.313 62.593 61.300 -0.033 0.000 1.380 39 I CB -0.488 37.514 38.000 0.003 0.000 1.067 39 I HN 0.099 nan 8.210 nan 0.000 0.413 40 Q N 0.979 120.702 119.800 -0.128 0.000 2.135 40 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 40 Q C 2.157 178.074 176.000 -0.139 0.000 0.981 40 Q CA 2.320 58.064 55.803 -0.098 0.000 0.856 40 Q CB -0.195 28.521 28.738 -0.037 0.000 0.902 40 Q HN 0.422 nan 8.270 nan 0.000 0.425 41 S N -0.063 115.515 115.700 -0.203 0.000 2.402 41 S HA -0.088 4.382 4.470 -0.000 0.000 0.229 41 S C 1.847 176.257 174.600 -0.317 0.000 1.021 41 S CA 1.170 59.225 58.200 -0.242 0.000 0.974 41 S CB -0.309 62.711 63.200 -0.300 0.000 0.800 41 S HN 0.393 nan 8.310 nan 0.000 0.484 42 I N 1.376 121.685 120.570 -0.434 0.000 2.113 42 I HA -0.200 3.970 4.170 -0.000 0.000 0.238 42 I C 2.067 177.952 176.117 -0.388 0.000 1.070 42 I CA 1.476 62.440 61.300 -0.561 0.000 1.332 42 I CB -0.409 37.231 38.000 -0.599 0.000 1.044 42 I HN 0.221 nan 8.210 nan 0.000 0.402 43 I N 0.202 120.632 120.570 -0.234 0.000 2.423 43 I HA -0.261 3.909 4.170 -0.000 0.000 0.254 43 I C 2.462 178.524 176.117 -0.091 0.000 1.151 43 I CA 1.039 62.267 61.300 -0.120 0.000 1.421 43 I CB -0.300 37.661 38.000 -0.065 0.000 1.079 43 I HN 0.131 nan 8.210 nan 0.000 0.431 44 S N -0.067 115.567 115.700 -0.110 0.000 2.447 44 S HA -0.155 4.315 4.470 -0.000 0.000 0.233 44 S C 2.128 176.690 174.600 -0.063 0.000 1.006 44 S CA 1.715 59.871 58.200 -0.073 0.000 0.957 44 S CB -0.487 62.668 63.200 -0.075 0.000 0.773 44 S HN 0.672 nan 8.310 nan 0.000 0.507 45 T N -0.368 114.133 114.554 -0.088 0.000 3.007 45 T HA 0.042 4.392 4.350 -0.000 0.000 0.270 45 T C 0.614 175.317 174.700 0.005 0.000 1.107 45 T CA 0.302 62.378 62.100 -0.040 0.000 1.118 45 T CB -0.411 68.433 68.868 -0.041 0.000 0.889 45 T HN 0.085 nan 8.240 nan 0.000 0.506 46 V N 3.216 123.133 119.914 0.004 0.000 2.339 46 V HA 0.222 4.342 4.120 -0.000 0.000 0.261 46 V C 0.466 176.573 176.094 0.022 0.000 1.058 46 V CA -1.070 61.250 62.300 0.034 0.000 0.897 46 V CB 0.362 32.216 31.823 0.052 0.000 1.052 46 V HN 0.425 nan 8.190 nan 0.000 0.480 47 E N 6.514 126.729 120.200 0.024 0.000 2.604 47 E HA -0.071 4.279 4.350 -0.000 0.000 0.267 47 E C -1.367 175.245 176.600 0.019 0.000 0.970 47 E CA -0.810 55.601 56.400 0.018 0.000 0.956 47 E CB 0.616 30.329 29.700 0.020 0.000 0.939 47 E HN 0.379 nan 8.360 nan 0.000 0.465 48 P HA -0.172 nan 4.420 nan 0.000 0.215 48 P C 0.340 177.652 177.300 0.021 0.000 1.157 48 P CA 1.659 64.768 63.100 0.015 0.000 0.874 48 P CB 0.101 31.806 31.700 0.009 0.000 0.790 49 A N -0.367 122.464 122.820 0.019 0.000 3.074 49 A HA 0.088 4.408 4.320 -0.000 0.000 0.251 49 A C 1.121 178.721 177.584 0.027 0.000 1.695 49 A CA 0.411 52.461 52.037 0.021 0.000 1.343 49 A CB -1.094 17.916 19.000 0.016 0.000 1.078 49 A HN 0.175 nan 8.150 nan 0.000 0.644 50 Q N -1.411 118.409 119.800 0.033 0.000 1.559 50 Q HA 0.017 4.357 4.340 -0.000 0.000 0.164 50 Q C 1.536 177.565 176.000 0.048 0.000 0.668 50 Q CA 0.013 55.840 55.803 0.039 0.000 0.705 50 Q CB 0.274 29.035 28.738 0.038 0.000 1.180 50 Q HN 0.756 nan 8.270 nan 0.000 0.369 51 R N 0.691 121.220 120.500 0.049 0.000 2.090 51 R HA 0.016 4.356 4.340 -0.000 0.000 0.228 51 R C 2.045 178.392 176.300 0.077 0.000 1.110 51 R CA 1.080 57.217 56.100 0.061 0.000 0.973 51 R CB 0.147 30.478 30.300 0.051 0.000 0.869 51 R HN 0.138 nan 8.270 nan 0.000 0.440 52 Q N 0.575 120.419 119.800 0.073 0.000 2.135 52 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 52 Q C 0.812 176.865 176.000 0.088 0.000 0.981 52 Q CA 1.376 57.233 55.803 0.089 0.000 0.856 52 Q CB 0.090 28.878 28.738 0.083 0.000 0.902 52 Q HN 0.262 nan 8.270 nan 0.000 0.425 53 E N -0.412 119.831 120.200 0.071 0.000 2.451 53 E HA 0.258 4.608 4.350 -0.000 0.000 0.194 53 E C -0.615 176.021 176.600 0.059 0.000 1.027 53 E CA -0.135 56.302 56.400 0.061 0.000 0.914 53 E CB 0.621 30.351 29.700 0.050 0.000 1.054 53 E HN 0.229 nan 8.360 nan 0.000 0.461 54 A N 0.023 122.886 122.820 0.071 0.000 2.295 54 A HA 0.679 4.999 4.320 -0.000 0.000 0.318 54 A C -0.027 177.605 177.584 0.079 0.000 1.134 54 A CA -0.421 51.660 52.037 0.072 0.000 0.827 54 A CB 0.935 19.983 19.000 0.080 0.000 1.136 54 A HN 0.059 nan 8.150 nan 0.000 0.493 55 T N 2.416 117.011 114.554 0.068 0.000 2.840 55 T HA 0.489 4.839 4.350 -0.000 0.000 0.287 55 T C -0.682 174.062 174.700 0.073 0.000 0.991 55 T CA -0.125 62.013 62.100 0.064 0.000 0.964 55 T CB 0.486 69.376 68.868 0.037 0.000 0.954 55 T HN 0.449 nan 8.240 nan 0.000 0.438 56 L N 3.708 124.987 121.223 0.093 0.000 2.280 56 L HA 0.491 4.831 4.340 -0.000 0.000 0.287 56 L C -0.194 176.726 176.870 0.083 0.000 1.023 56 L CA -1.036 53.868 54.840 0.105 0.000 0.819 56 L CB 1.544 43.690 42.059 0.144 0.000 1.212 56 L HN 0.375 nan 8.230 nan 0.000 0.420 57 V N 5.185 125.135 119.914 0.060 0.000 2.427 57 V HA 0.119 4.239 4.120 -0.000 0.000 0.268 57 V C 0.275 176.403 176.094 0.056 0.000 1.046 57 V CA -0.282 62.044 62.300 0.043 0.000 0.970 57 V CB 1.395 33.229 31.823 0.019 0.000 1.001 57 V HN 0.380 nan 8.190 nan 0.000 0.476 58 V N 5.542 125.491 119.914 0.058 0.000 2.347 58 V HA 0.745 4.865 4.120 -0.000 0.000 0.280 58 V C 0.755 176.875 176.094 0.043 0.000 1.021 58 V CA 0.132 62.470 62.300 0.063 0.000 0.847 58 V CB 1.170 33.037 31.823 0.074 0.000 0.990 58 V HN 0.950 nan 8.190 nan 0.000 0.444 59 G N 2.829 111.651 108.800 0.036 0.000 2.971 59 G HA2 0.907 4.867 3.960 -0.000 0.000 0.235 59 G HA3 0.907 4.867 3.960 -0.000 0.000 0.235 59 G C -0.221 174.692 174.900 0.023 0.000 1.351 59 G CA -0.516 44.598 45.100 0.022 0.000 1.039 59 G HN 1.212 nan 8.290 nan 0.000 0.563 60 G N -1.208 107.601 108.800 0.015 0.000 2.429 60 G HA2 0.414 4.374 3.960 -0.000 0.000 0.300 60 G HA3 0.414 4.374 3.960 -0.000 0.000 0.300 60 G C -0.607 174.307 174.900 0.023 0.000 1.598 60 G CA 0.341 45.452 45.100 0.019 0.000 0.863 60 G HN 0.658 nan 8.290 nan 0.000 0.614 61 D N -0.535 119.883 120.400 0.031 0.000 2.340 61 D HA 0.319 4.959 4.640 -0.000 0.000 0.217 61 D C 1.680 177.998 176.300 0.031 0.000 1.081 61 D CA 0.755 54.792 54.000 0.062 0.000 0.842 61 D CB 0.197 41.069 40.800 0.120 0.000 0.934 61 D HN 1.899 nan 8.370 nan 0.000 0.511 62 G N 0.979 109.782 108.800 0.005 0.000 2.199 62 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.254 62 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.254 62 G C 0.478 175.325 174.900 -0.088 0.000 0.982 62 G CA 0.171 45.236 45.100 -0.060 0.000 0.632 62 G HN 0.679 nan 8.290 nan 0.000 0.529 63 R N -0.111 120.385 120.500 -0.006 0.000 2.802 63 R HA 0.318 4.658 4.340 -0.000 0.000 0.264 63 R C 0.604 176.998 176.300 0.157 0.000 0.996 63 R CA -0.188 55.972 56.100 0.101 0.000 1.123 63 R CB -0.142 30.330 30.300 0.287 0.000 0.996 63 R HN 0.400 nan 8.270 nan 0.000 0.444 64 F N 4.482 124.473 119.950 0.068 0.000 2.629 64 F HA -0.026 4.501 4.527 -0.000 0.000 0.369 64 F C 0.682 176.498 175.800 0.027 0.000 1.125 64 F CA 1.697 59.716 58.000 0.033 0.000 1.330 64 F CB 0.110 39.123 39.000 0.022 0.000 1.071 64 F HN 0.768 nan 8.300 nan 0.000 0.595 65 Y N 2.923 122.569 120.300 -1.090 0.000 4.779 65 Y HA -0.481 4.069 4.550 0.000 0.000 0.284 65 Y C 1.656 177.112 175.900 -0.739 0.000 0.973 65 Y CA 1.486 59.023 58.100 -0.939 0.000 1.792 65 Y CB -1.660 36.236 38.460 -0.940 0.000 1.120 65 Y HN 0.696 nan 8.280 nan 0.000 0.450 66 M N 0.427 119.837 119.600 -0.316 0.000 2.082 66 M HA -0.317 4.163 4.480 -0.000 0.000 0.258 66 M C 1.905 178.073 176.300 -0.219 0.000 1.069 66 M CA 2.783 58.061 55.300 -0.038 0.000 1.102 66 M CB -0.147 32.514 32.600 0.102 0.000 1.336 66 M HN 0.314 nan 8.290 nan 0.000 0.404 67 K N 0.477 120.714 120.400 -0.272 0.000 2.032 67 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 67 K C 1.836 178.240 176.600 -0.327 0.000 1.048 67 K CA 1.969 58.106 56.287 -0.249 0.000 0.927 67 K CB -0.333 32.029 32.500 -0.229 0.000 0.712 67 K HN 0.489 nan 8.250 nan 0.000 0.441 68 E N 0.177 120.064 120.200 -0.520 0.000 2.072 68 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 68 E C 2.112 178.366 176.600 -0.577 0.000 0.985 68 E CA 1.330 57.398 56.400 -0.553 0.000 0.801 68 E CB -0.561 28.736 29.700 -0.672 0.000 0.750 68 E HN 0.310 nan 8.360 nan 0.000 0.452 69 A N 1.595 123.932 122.820 -0.806 0.000 1.933 69 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 69 A C 2.386 179.872 177.584 -0.163 0.000 1.175 69 A CA 1.119 52.899 52.037 -0.429 0.000 0.628 69 A CB -0.749 18.099 19.000 -0.253 0.000 0.814 69 A HN 0.174 nan 8.150 nan 0.000 0.444 70 I N -1.042 119.444 120.570 -0.140 0.000 2.179 70 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 70 I C 2.757 178.836 176.117 -0.063 0.000 1.088 70 I CA 1.603 62.868 61.300 -0.058 0.000 1.357 70 I CB -0.265 37.708 38.000 -0.046 0.000 1.051 70 I HN 0.292 nan 8.210 nan 0.000 0.409 71 Q N 0.462 120.197 119.800 -0.108 0.000 2.112 71 Q HA -0.192 4.148 4.340 -0.000 0.000 0.206 71 Q C 2.165 178.121 176.000 -0.073 0.000 0.987 71 Q CA 1.709 57.459 55.803 -0.089 0.000 0.858 71 Q CB -0.340 28.329 28.738 -0.116 0.000 0.905 71 Q HN 0.494 nan 8.270 nan 0.000 0.420 72 L N -0.667 120.503 121.223 -0.090 0.000 2.056 72 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 72 L C 2.141 178.990 176.870 -0.034 0.000 1.078 72 L CA 1.004 55.807 54.840 -0.062 0.000 0.749 72 L CB -0.467 41.552 42.059 -0.065 0.000 0.901 72 L HN 0.276 nan 8.230 nan 0.000 0.433 73 I N -0.890 119.675 120.570 -0.009 0.000 2.286 73 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 73 I C 2.461 178.600 176.117 0.037 0.000 1.115 73 I CA 0.925 62.239 61.300 0.024 0.000 1.392 73 I CB -0.310 37.724 38.000 0.057 0.000 1.065 73 I HN 0.029 nan 8.210 nan 0.000 0.418 74 V N 1.027 120.967 119.914 0.044 0.000 2.261 74 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 74 V C 2.559 178.631 176.094 -0.037 0.000 1.047 74 V CA 1.956 64.315 62.300 0.098 0.000 1.015 74 V CB -0.701 31.171 31.823 0.082 0.000 0.642 74 V HN 0.383 nan 8.190 nan 0.000 0.446 75 R N -0.483 119.972 120.500 -0.075 0.000 2.092 75 R HA 0.001 4.341 4.340 -0.000 0.000 0.231 75 R C 2.202 178.434 176.300 -0.114 0.000 1.119 75 R CA 1.359 57.388 56.100 -0.119 0.000 0.970 75 R CB -0.309 29.948 30.300 -0.071 0.000 0.864 75 R HN 0.441 nan 8.270 nan 0.000 0.440 76 I N 0.379 120.909 120.570 -0.066 0.000 2.277 76 I HA -0.158 4.012 4.170 -0.000 0.000 0.243 76 I C 2.512 178.576 176.117 -0.088 0.000 1.094 76 I CA 0.962 62.238 61.300 -0.039 0.000 1.393 76 I CB -0.321 37.658 38.000 -0.035 0.000 1.078 76 I HN 0.169 nan 8.210 nan 0.000 0.417 77 A N 0.802 123.567 122.820 -0.092 0.000 1.933 77 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 77 A C 2.509 179.913 177.584 -0.301 0.000 1.175 77 A CA 1.727 53.710 52.037 -0.091 0.000 0.628 77 A CB -0.731 18.290 19.000 0.036 0.000 0.814 77 A HN 0.432 nan 8.150 nan 0.000 0.444 78 A N 0.118 122.542 122.820 -0.660 0.000 1.851 78 A HA 0.098 4.418 4.320 -0.000 0.000 0.216 78 A C 2.493 179.748 177.584 -0.549 0.000 1.195 78 A CA 2.283 53.561 52.037 -1.265 0.000 0.622 78 A CB -1.168 17.094 19.000 -1.230 0.000 0.831 78 A HN 1.169 nan 8.150 nan 0.000 0.444 79 A N -0.646 121.987 122.820 -0.312 0.000 2.121 79 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 79 A C 1.721 179.244 177.584 -0.102 0.000 1.154 79 A CA 1.256 53.198 52.037 -0.160 0.000 0.679 79 A CB -0.573 18.369 19.000 -0.096 0.000 0.795 79 A HN 0.623 nan 8.150 nan 0.000 0.458 80 N N -0.853 117.785 118.700 -0.103 0.000 2.398 80 N HA 0.106 4.846 4.740 -0.000 0.000 0.188 80 N C 1.022 176.513 175.510 -0.032 0.000 1.122 80 N CA 0.820 53.841 53.050 -0.050 0.000 0.866 80 N CB 0.350 38.816 38.487 -0.034 0.000 0.970 80 N HN 0.608 nan 8.380 nan 0.000 0.462 81 G N 1.338 110.111 108.800 -0.046 0.000 2.159 81 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.227 81 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.227 81 G C 0.130 175.068 174.900 0.063 0.000 0.986 81 G CA -0.445 44.663 45.100 0.012 0.000 0.651 81 G HN 0.284 nan 8.290 nan 0.000 0.523 82 I N 1.774 122.384 120.570 0.068 0.000 2.533 82 I HA 0.346 4.516 4.170 -0.000 0.000 0.284 82 I C 1.927 178.235 176.117 0.317 0.000 1.109 82 I CA 0.953 62.353 61.300 0.167 0.000 1.412 82 I CB 1.098 39.202 38.000 0.174 0.000 1.396 82 I HN 0.117 nan 8.210 nan 0.000 0.543 83 G N 6.714 115.654 108.800 0.233 0.000 2.402 83 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.216 83 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.216 83 G C 0.749 175.747 174.900 0.163 0.000 1.162 83 G CA 0.291 45.524 45.100 0.221 0.000 0.777 83 G HN 0.564 nan 8.290 nan 0.000 0.539 84 R N -1.152 119.413 120.500 0.107 0.000 2.725 84 R HA 0.631 4.971 4.340 -0.000 0.000 0.277 84 R C -1.789 174.517 176.300 0.011 0.000 0.987 84 R CA -0.719 55.362 56.100 -0.031 0.000 0.901 84 R CB 1.312 31.599 30.300 -0.021 0.000 1.207 84 R HN 0.065 nan 8.270 nan 0.000 0.463 85 L N 4.056 125.229 121.223 -0.083 0.000 2.349 85 L HA 0.492 4.832 4.340 -0.000 0.000 0.278 85 L C -0.872 175.989 176.870 -0.014 0.000 0.996 85 L CA -1.064 53.782 54.840 0.010 0.000 0.825 85 L CB 2.237 44.331 42.059 0.058 0.000 1.243 85 L HN 0.406 nan 8.230 nan 0.000 0.412 86 V N 5.558 125.480 119.914 0.013 0.000 2.240 86 V HA 0.339 4.459 4.120 -0.000 0.000 0.265 86 V C 0.312 176.416 176.094 0.017 0.000 1.073 86 V CA -0.215 62.087 62.300 0.005 0.000 0.857 86 V CB 0.784 32.610 31.823 0.005 0.000 1.114 86 V HN 0.495 nan 8.190 nan 0.000 0.469 87 I N 2.949 123.528 120.570 0.016 0.000 2.440 87 I HA 0.514 4.684 4.170 -0.000 0.000 0.294 87 I C 1.272 177.396 176.117 0.013 0.000 0.995 87 I CA -0.059 61.253 61.300 0.021 0.000 1.306 87 I CB 1.150 39.165 38.000 0.025 0.000 1.407 87 I HN 0.556 nan 8.210 nan 0.000 0.501 88 G N 3.424 112.232 108.800 0.015 0.000 2.572 88 G HA2 0.127 4.087 3.960 -0.000 0.000 0.261 88 G HA3 0.127 4.087 3.960 -0.000 0.000 0.261 88 G C -0.445 174.454 174.900 -0.001 0.000 1.197 88 G CA -0.458 44.648 45.100 0.009 0.000 0.870 88 G HN 0.674 nan 8.290 nan 0.000 0.548 89 Q N 0.072 119.865 119.800 -0.011 0.000 2.255 89 Q HA -0.018 4.322 4.340 -0.000 0.000 0.280 89 Q C 0.507 176.494 176.000 -0.021 0.000 1.068 89 Q CA 0.773 56.565 55.803 -0.018 0.000 0.911 89 Q CB -0.157 28.564 28.738 -0.027 0.000 1.157 89 Q HN 0.741 nan 8.270 nan 0.000 0.380 90 N N 2.553 121.241 118.700 -0.019 0.000 2.936 90 N HA -0.282 4.457 4.740 -0.000 0.000 0.236 90 N C 0.552 176.048 175.510 -0.023 0.000 0.930 90 N CA 0.626 53.662 53.050 -0.025 0.000 0.966 90 N CB -1.136 37.332 38.487 -0.031 0.000 1.090 90 N HN 0.949 nan 8.380 nan 0.000 0.592 91 G N -0.994 107.799 108.800 -0.012 0.000 2.253 91 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.251 91 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.251 91 G C 0.121 175.023 174.900 0.004 0.000 0.998 91 G CA 0.236 45.334 45.100 -0.005 0.000 0.621 91 G HN 0.312 nan 8.290 nan 0.000 0.524 92 I N 0.950 121.519 120.570 -0.001 0.000 2.662 92 I HA 0.520 4.690 4.170 -0.000 0.000 0.285 92 I C 0.177 176.318 176.117 0.040 0.000 1.161 92 I CA 0.219 61.529 61.300 0.016 0.000 1.415 92 I CB 1.132 39.132 38.000 -0.000 0.000 1.385 92 I HN 0.239 nan 8.210 nan 0.000 0.552 93 L N 6.117 127.377 121.223 0.061 0.000 2.845 93 L HA 0.263 4.603 4.340 -0.000 0.000 0.253 93 L C -0.117 176.765 176.870 0.020 0.000 0.959 93 L CA 0.190 55.072 54.840 0.071 0.000 1.001 93 L CB 1.145 43.226 42.059 0.038 0.000 1.374 93 L HN 0.509 nan 8.230 nan 0.000 0.469 94 S N 0.660 116.354 115.700 -0.011 0.000 2.550 94 S HA 0.036 4.506 4.470 -0.000 0.000 0.285 94 S C 1.545 176.025 174.600 -0.200 0.000 1.326 94 S CA 0.653 58.723 58.200 -0.216 0.000 1.037 94 S CB 0.852 63.687 63.200 -0.608 0.000 0.838 94 S HN 0.811 nan 8.310 nan 0.000 0.519 95 T N 0.650 115.087 114.554 -0.196 0.000 2.746 95 T HA -0.050 4.300 4.350 -0.000 0.000 0.267 95 T C -1.062 173.512 174.700 -0.211 0.000 1.039 95 T CA 0.953 62.950 62.100 -0.171 0.000 1.142 95 T CB -1.468 67.310 68.868 -0.150 0.000 0.866 95 T HN 0.499 nan 8.240 nan 0.000 0.444 96 P HA 0.169 nan 4.420 nan 0.000 0.221 96 P C 1.657 178.831 177.300 -0.210 0.000 1.150 96 P CA 1.267 64.222 63.100 -0.242 0.000 0.800 96 P CB -0.278 31.290 31.700 -0.220 0.000 0.787 97 A N 0.137 122.751 122.820 -0.343 0.000 1.898 97 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 97 A C 2.412 179.964 177.584 -0.052 0.000 1.181 97 A CA 1.617 53.558 52.037 -0.160 0.000 0.620 97 A CB -1.627 17.288 19.000 -0.142 0.000 0.819 97 A HN 0.039 nan 8.150 nan 0.000 0.442 98 V N -0.365 119.498 119.914 -0.084 0.000 2.407 98 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 98 V C 2.785 178.839 176.094 -0.067 0.000 1.055 98 V CA 2.243 64.510 62.300 -0.056 0.000 1.049 98 V CB -0.693 31.094 31.823 -0.060 0.000 0.662 98 V HN 0.651 nan 8.190 nan 0.000 0.455 99 S N -1.155 114.485 115.700 -0.099 0.000 2.382 99 S HA -0.251 4.219 4.470 -0.000 0.000 0.228 99 S C 2.120 176.667 174.600 -0.087 0.000 1.027 99 S CA 1.856 59.989 58.200 -0.112 0.000 0.991 99 S CB -0.577 62.528 63.200 -0.159 0.000 0.823 99 S HN 0.748 nan 8.310 nan 0.000 0.469 100 C N 0.850 120.118 119.300 -0.053 0.000 2.446 100 C HA 0.119 4.579 4.460 -0.000 0.000 0.277 100 C C 2.379 177.371 174.990 0.003 0.000 1.275 100 C CA 0.595 59.607 59.018 -0.010 0.000 1.727 100 C CB -1.574 26.227 27.740 0.101 0.000 2.010 100 C HN 0.688 nan 8.230 nan 0.000 0.486 101 I N 0.759 121.335 120.570 0.010 0.000 2.202 101 I HA -0.146 4.024 4.170 -0.000 0.000 0.242 101 I C 2.496 178.611 176.117 -0.005 0.000 1.091 101 I CA 1.699 63.006 61.300 0.012 0.000 1.368 101 I CB -0.428 37.584 38.000 0.019 0.000 1.058 101 I HN 0.318 nan 8.210 nan 0.000 0.410 102 I N 0.596 121.154 120.570 -0.021 0.000 2.118 102 I HA -0.353 3.817 4.170 -0.000 0.000 0.241 102 I C 2.727 178.829 176.117 -0.026 0.000 1.070 102 I CA 1.687 62.970 61.300 -0.028 0.000 1.327 102 I CB -0.401 37.567 38.000 -0.054 0.000 1.034 102 I HN 0.181 nan 8.210 nan 0.000 0.405 103 R N 0.322 120.803 120.500 -0.033 0.000 2.115 103 R HA -0.175 4.164 4.340 -0.000 0.000 0.230 103 R C 2.269 178.560 176.300 -0.016 0.000 1.111 103 R CA 1.161 57.244 56.100 -0.028 0.000 0.976 103 R CB -0.239 30.036 30.300 -0.042 0.000 0.870 103 R HN 0.355 nan 8.270 nan 0.000 0.445 104 K N 1.542 121.936 120.400 -0.011 0.000 1.965 104 K HA -0.118 4.202 4.320 -0.000 0.000 0.214 104 K C 1.525 178.124 176.600 -0.002 0.000 1.042 104 K CA 1.478 57.763 56.287 -0.004 0.000 0.950 104 K CB -0.107 32.395 32.500 0.002 0.000 0.733 104 K HN 0.165 nan 8.250 nan 0.000 0.441 105 I N -0.036 120.534 120.570 0.000 0.000 3.609 105 I HA 0.090 4.260 4.170 -0.000 0.000 0.305 105 I C -0.694 175.425 176.117 0.004 0.000 1.239 105 I CA -0.001 61.300 61.300 0.002 0.000 1.191 105 I CB -0.167 37.835 38.000 0.004 0.000 1.020 105 I HN 0.146 nan 8.210 nan 0.000 0.471 106 K N -0.049 120.352 120.400 0.001 0.000 3.071 106 K HA -0.221 4.099 4.320 -0.000 0.000 0.262 106 K C 0.388 176.992 176.600 0.007 0.000 0.977 106 K CA 1.017 57.305 56.287 0.003 0.000 0.721 106 K CB -2.237 30.267 32.500 0.006 0.000 1.293 106 K HN 0.728 nan 8.250 nan 0.000 0.475 107 A N 0.668 123.491 122.820 0.004 0.000 2.450 107 A HA 0.348 4.668 4.320 -0.000 0.000 0.255 107 A C 0.876 178.467 177.584 0.013 0.000 1.096 107 A CA -0.350 51.695 52.037 0.013 0.000 0.778 107 A CB -0.028 18.978 19.000 0.011 0.000 1.031 107 A HN 0.327 nan 8.150 nan 0.000 0.494 108 I N 3.312 123.903 120.570 0.034 0.000 2.397 108 I HA 0.362 4.532 4.170 -0.000 0.000 0.291 108 I C 1.173 177.325 176.117 0.058 0.000 1.125 108 I CA 1.487 62.813 61.300 0.044 0.000 1.961 108 I CB -1.162 36.876 38.000 0.062 0.000 1.508 108 I HN 1.012 nan 8.210 nan 0.000 0.886 109 G N 2.545 111.336 108.800 -0.014 0.000 2.663 109 G HA2 0.271 4.231 3.960 -0.000 0.000 0.686 109 G HA3 0.271 4.231 3.960 -0.000 0.000 0.686 109 G C -0.499 174.370 174.900 -0.052 0.000 1.288 109 G CA -0.634 44.402 45.100 -0.107 0.000 0.836 109 G HN 0.818 nan 8.290 nan 0.000 0.584 110 G N -1.029 107.686 108.800 -0.142 0.000 2.742 110 G HA2 0.709 4.669 3.960 -0.000 0.000 0.296 110 G HA3 0.709 4.669 3.960 -0.000 0.000 0.296 110 G C -0.909 174.050 174.900 0.098 0.000 1.436 110 G CA -0.626 44.476 45.100 0.004 0.000 0.928 110 G HN 1.017 nan 8.290 nan 0.000 0.520 111 I N 1.627 122.306 120.570 0.181 0.000 2.378 111 I HA 0.431 4.601 4.170 -0.000 0.000 0.291 111 I C -0.439 175.749 176.117 0.118 0.000 0.992 111 I CA -0.728 60.711 61.300 0.232 0.000 1.154 111 I CB 1.821 39.964 38.000 0.239 0.000 1.315 111 I HN 0.213 nan 8.210 nan 0.000 0.448 112 I N 6.407 127.030 120.570 0.088 0.000 2.378 112 I HA 0.257 4.427 4.170 -0.000 0.000 0.291 112 I C -0.493 175.614 176.117 -0.016 0.000 0.992 112 I CA -0.811 60.502 61.300 0.023 0.000 1.154 112 I CB 1.613 39.602 38.000 -0.017 0.000 1.315 112 I HN 0.257 nan 8.210 nan 0.000 0.448 113 L N 5.441 126.648 121.223 -0.027 0.000 2.375 113 L HA 0.393 4.733 4.340 -0.000 0.000 0.276 113 L C 0.197 176.914 176.870 -0.255 0.000 1.162 113 L CA 0.556 55.324 54.840 -0.121 0.000 0.991 113 L CB -0.694 41.420 42.059 0.092 0.000 1.315 113 L HN 0.726 nan 8.230 nan 0.000 0.431 114 T N 0.819 115.154 114.554 -0.365 0.000 3.087 114 T HA 0.555 4.905 4.350 -0.000 0.000 0.351 114 T C -0.053 174.471 174.700 -0.294 0.000 1.520 114 T CA 0.024 61.951 62.100 -0.288 0.000 1.111 114 T CB 1.421 70.217 68.868 -0.121 0.000 1.353 114 T HN 0.434 nan 8.240 nan 0.000 0.481 115 A N 2.883 125.542 122.820 -0.268 0.000 2.500 115 A HA 0.686 5.006 4.320 -0.000 0.000 0.267 115 A C 1.334 178.786 177.584 -0.220 0.000 1.290 115 A CA 0.990 52.887 52.037 -0.234 0.000 0.928 115 A CB -0.773 18.087 19.000 -0.234 0.000 1.066 115 A HN 1.558 nan 8.150 nan 0.000 0.516 116 S N -0.065 115.548 115.700 -0.145 0.000 4.139 116 S HA -0.352 4.118 4.470 -0.000 0.000 0.603 116 S C 1.582 176.099 174.600 -0.139 0.000 1.897 116 S CA 1.757 59.907 58.200 -0.084 0.000 4.241 116 S CB -1.438 61.772 63.200 0.018 0.000 0.221 116 S HN 1.193 nan 8.310 nan 0.000 0.488 117 H N 2.244 121.258 119.070 -0.094 0.000 2.547 117 H HA 0.265 4.821 4.556 -0.000 0.000 0.272 117 H C 0.550 175.772 175.328 -0.176 0.000 0.989 117 H CA 0.862 56.830 56.048 -0.133 0.000 1.214 117 H CB -0.923 28.797 29.762 -0.069 0.000 1.389 117 H HN 0.426 nan 8.280 nan 0.000 0.577 118 N N 4.123 122.402 118.700 -0.703 0.000 2.513 118 N HA 0.088 4.828 4.740 -0.000 0.000 0.268 118 N C -2.344 172.964 175.510 -0.336 0.000 1.180 118 N CA -0.976 51.785 53.050 -0.482 0.000 0.948 118 N CB 0.687 38.925 38.487 -0.416 0.000 1.083 118 N HN 0.251 nan 8.380 nan 0.000 0.455 119 P HA 0.049 nan 4.420 nan 0.000 0.271 119 P C 0.222 177.441 177.300 -0.136 0.000 1.238 119 P CA 0.000 62.904 63.100 -0.327 0.000 0.794 119 P CB 0.524 31.951 31.700 -0.456 0.000 0.959 120 G N -1.075 107.760 108.800 0.059 0.000 3.815 120 G HA2 0.320 4.280 3.960 -0.000 0.000 0.265 120 G HA3 0.320 4.280 3.960 -0.000 0.000 0.265 120 G C 0.605 175.641 174.900 0.226 0.000 1.026 120 G CA 0.211 45.486 45.100 0.293 0.000 0.868 120 G HN 0.739 nan 8.290 nan 0.000 0.476 121 G N 1.085 109.939 108.800 0.090 0.000 2.750 121 G HA2 0.336 4.296 3.960 -0.000 0.000 0.250 121 G HA3 0.336 4.296 3.960 -0.000 0.000 0.250 121 G C -0.427 174.377 174.900 -0.160 0.000 1.230 121 G CA -0.383 44.702 45.100 -0.025 0.000 0.883 121 G HN -0.010 nan 8.290 nan 0.000 0.573 122 P HA -0.084 nan 4.420 nan 0.000 0.228 122 P C 0.816 177.845 177.300 -0.451 0.000 1.151 122 P CA 1.100 63.664 63.100 -0.894 0.000 0.770 122 P CB 0.263 31.403 31.700 -0.933 0.000 0.786 123 N N -1.156 117.398 118.700 -0.242 0.000 2.197 123 N HA 0.126 4.866 4.740 -0.000 0.000 0.201 123 N C 1.178 176.635 175.510 -0.088 0.000 1.148 123 N CA 0.058 53.021 53.050 -0.144 0.000 0.883 123 N CB 0.224 38.640 38.487 -0.118 0.000 1.012 123 N HN -0.034 nan 8.380 nan 0.000 0.507 124 G N -0.960 107.795 108.800 -0.075 0.000 2.783 124 G HA2 0.137 4.097 3.960 -0.000 0.000 0.182 124 G HA3 0.137 4.097 3.960 -0.000 0.000 0.182 124 G C -0.666 174.236 174.900 0.004 0.000 1.516 124 G CA -0.210 44.861 45.100 -0.047 0.000 1.079 124 G HN 0.099 nan 8.290 nan 0.000 0.573 125 D N -0.876 119.530 120.400 0.009 0.000 2.252 125 D HA 0.578 5.218 4.640 -0.000 0.000 0.245 125 D C -1.479 174.869 176.300 0.080 0.000 1.009 125 D CA -0.117 53.904 54.000 0.036 0.000 0.870 125 D CB 2.277 43.057 40.800 -0.034 0.000 1.251 125 D HN 0.091 nan 8.370 nan 0.000 0.460 126 F N 0.445 120.329 119.950 -0.111 0.000 2.569 126 F HA 0.638 5.165 4.527 0.000 0.000 0.312 126 F C -0.327 175.279 175.800 -0.322 0.000 1.109 126 F CA -0.284 57.563 58.000 -0.255 0.000 0.919 126 F CB 2.034 40.754 39.000 -0.468 0.000 1.211 126 F HN 0.328 nan 8.300 nan 0.000 0.446 127 G N 4.931 113.085 108.800 -1.077 0.000 2.672 127 G HA2 0.607 4.567 3.960 -0.000 0.000 0.292 127 G HA3 0.607 4.567 3.960 -0.000 0.000 0.292 127 G C -1.990 172.582 174.900 -0.546 0.000 1.375 127 G CA -0.841 43.924 45.100 -0.559 0.000 0.890 127 G HN 0.667 nan 8.290 nan 0.000 0.476 128 I N 1.400 121.858 120.570 -0.185 0.000 2.405 128 I HA 0.283 4.453 4.170 -0.000 0.000 0.280 128 I C -0.028 176.143 176.117 0.090 0.000 1.027 128 I CA -0.581 60.712 61.300 -0.012 0.000 1.161 128 I CB 1.599 39.704 38.000 0.175 0.000 1.300 128 I HN 0.156 nan 8.210 nan 0.000 0.463 129 K N 5.667 126.103 120.400 0.061 0.000 2.174 129 K HA 0.407 4.727 4.320 -0.000 0.000 0.275 129 K C -0.980 175.756 176.600 0.227 0.000 1.015 129 K CA -0.343 56.009 56.287 0.110 0.000 0.933 129 K CB 1.717 34.233 32.500 0.027 0.000 1.025 129 K HN 0.406 nan 8.250 nan 0.000 0.463 130 F N 3.396 123.385 119.950 0.066 0.000 2.434 130 F HA 0.305 4.832 4.527 -0.000 0.000 0.355 130 F C -0.782 175.033 175.800 0.025 0.000 1.115 130 F CA -1.048 56.985 58.000 0.055 0.000 1.010 130 F CB 0.852 39.895 39.000 0.072 0.000 1.234 130 F HN 0.455 nan 8.300 nan 0.000 0.439 131 N N 6.241 124.633 118.700 -0.514 0.000 2.499 131 N HA 0.425 5.165 4.740 -0.000 0.000 0.281 131 N C -0.247 174.779 175.510 -0.808 0.000 1.098 131 N CA -0.428 52.326 53.050 -0.493 0.000 0.979 131 N CB 1.345 39.673 38.487 -0.266 0.000 1.121 131 N HN 0.598 nan 8.380 nan 0.000 0.466 132 I N -1.706 118.546 120.570 -0.531 0.000 3.244 132 I HA 0.376 4.546 4.170 -0.000 0.000 0.314 132 I C 1.692 177.682 176.117 -0.213 0.000 1.043 132 I CA -0.676 60.384 61.300 -0.399 0.000 1.099 132 I CB 0.401 38.283 38.000 -0.198 0.000 1.449 132 I HN 0.340 nan 8.210 nan 0.000 0.625 133 S N 1.757 117.390 115.700 -0.112 0.000 2.378 133 S HA -0.280 4.190 4.470 -0.000 0.000 0.229 133 S C 1.828 176.394 174.600 -0.057 0.000 1.052 133 S CA 2.421 60.586 58.200 -0.058 0.000 1.084 133 S CB -0.864 62.325 63.200 -0.018 0.000 0.950 133 S HN 0.985 nan 8.310 nan 0.000 0.440 134 N N 0.845 119.515 118.700 -0.051 0.000 2.513 134 N HA -0.001 4.739 4.740 -0.000 0.000 0.187 134 N C 1.236 176.712 175.510 -0.055 0.000 1.056 134 N CA 1.967 54.993 53.050 -0.039 0.000 0.907 134 N CB -0.893 37.581 38.487 -0.022 0.000 0.954 134 N HN 0.655 nan 8.380 nan 0.000 0.445 135 G N -2.032 106.717 108.800 -0.084 0.000 2.313 135 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.215 135 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.215 135 G C 0.345 175.180 174.900 -0.108 0.000 1.023 135 G CA 0.171 45.214 45.100 -0.095 0.000 0.626 135 G HN 0.817 nan 8.290 nan 0.000 0.503 136 G N 0.659 109.407 108.800 -0.086 0.000 2.557 136 G HA2 0.695 4.655 3.960 -0.000 0.000 0.302 136 G HA3 0.695 4.655 3.960 -0.000 0.000 0.302 136 G C -2.497 172.343 174.900 -0.100 0.000 1.311 136 G CA -0.893 44.168 45.100 -0.066 0.000 1.030 136 G HN 0.218 nan 8.290 nan 0.000 0.509 137 P HA 0.141 nan 4.420 nan 0.000 0.263 137 P C -0.011 177.221 177.300 -0.112 0.000 1.168 137 P CA 0.114 63.168 63.100 -0.077 0.000 0.759 137 P CB 0.326 32.008 31.700 -0.030 0.000 0.782 138 A N 6.140 128.905 122.820 -0.092 0.000 2.491 138 A HA 0.343 4.663 4.320 -0.000 0.000 0.261 138 A C -1.838 175.700 177.584 -0.077 0.000 1.101 138 A CA -1.049 50.958 52.037 -0.050 0.000 0.772 138 A CB -1.048 18.022 19.000 0.118 0.000 1.043 138 A HN 0.391 nan 8.150 nan 0.000 0.501 139 P HA 0.073 nan 4.420 nan 0.000 0.272 139 P C 0.708 177.976 177.300 -0.053 0.000 1.223 139 P CA -0.019 62.902 63.100 -0.299 0.000 0.784 139 P CB 0.603 32.128 31.700 -0.291 0.000 0.923 140 E N 2.517 122.735 120.200 0.029 0.000 2.196 140 E HA -0.362 3.988 4.350 -0.000 0.000 0.222 140 E C 1.772 178.456 176.600 0.141 0.000 1.072 140 E CA 2.479 58.966 56.400 0.144 0.000 0.902 140 E CB -1.518 28.323 29.700 0.234 0.000 0.780 140 E HN 0.385 nan 8.360 nan 0.000 0.467 141 A N 1.353 124.264 122.820 0.152 0.000 1.896 141 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 141 A C 2.403 180.054 177.584 0.111 0.000 1.206 141 A CA 2.533 54.644 52.037 0.125 0.000 0.647 141 A CB -0.853 18.218 19.000 0.117 0.000 0.828 141 A HN 0.490 nan 8.150 nan 0.000 0.455 142 I N 0.311 120.947 120.570 0.111 0.000 2.353 142 I HA -0.157 4.013 4.170 -0.000 0.000 0.248 142 I C 2.630 178.825 176.117 0.131 0.000 1.119 142 I CA 2.054 63.429 61.300 0.126 0.000 1.417 142 I CB -2.444 35.657 38.000 0.169 0.000 1.078 142 I HN 0.515 nan 8.210 nan 0.000 0.421 143 T N -1.058 113.580 114.554 0.141 0.000 2.737 143 T HA -0.134 4.216 4.350 -0.000 0.000 0.265 143 T C 1.624 176.421 174.700 0.161 0.000 1.038 143 T CA 1.257 63.447 62.100 0.150 0.000 1.144 143 T CB -0.528 68.427 68.868 0.145 0.000 0.866 143 T HN 0.263 nan 8.240 nan 0.000 0.434 144 D N 1.240 121.745 120.400 0.174 0.000 2.178 144 D HA -0.083 4.557 4.640 -0.000 0.000 0.201 144 D C 2.109 178.535 176.300 0.211 0.000 0.980 144 D CA 0.948 55.100 54.000 0.254 0.000 0.842 144 D CB -0.145 40.793 40.800 0.230 0.000 0.948 144 D HN 0.490 nan 8.370 nan 0.000 0.472 145 K N 0.936 121.411 120.400 0.124 0.000 2.057 145 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 145 K C 2.276 178.895 176.600 0.033 0.000 1.049 145 K CA 0.736 57.061 56.287 0.065 0.000 0.931 145 K CB -0.042 32.486 32.500 0.047 0.000 0.714 145 K HN 0.086 nan 8.250 nan 0.000 0.440 146 I N 0.398 120.977 120.570 0.016 0.000 2.226 146 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 146 I C 2.242 178.369 176.117 0.016 0.000 1.100 146 I CA 1.281 62.519 61.300 -0.103 0.000 1.374 146 I CB -0.329 37.528 38.000 -0.238 0.000 1.057 146 I HN 0.217 nan 8.210 nan 0.000 0.413 147 F N 1.382 121.315 119.950 -0.028 0.000 2.095 147 F HA -0.339 4.188 4.527 -0.000 0.000 0.298 147 F C 2.712 178.515 175.800 0.006 0.000 1.104 147 F CA 1.290 59.310 58.000 0.033 0.000 1.232 147 F CB 0.058 39.103 39.000 0.075 0.000 0.987 147 F HN 0.015 nan 8.300 nan 0.000 0.475 148 Q N 0.780 120.573 119.800 -0.013 0.000 2.234 148 Q HA -0.155 4.185 4.340 -0.000 0.000 0.206 148 Q C 1.740 177.678 176.000 -0.103 0.000 0.980 148 Q CA 1.644 57.363 55.803 -0.140 0.000 0.869 148 Q CB -0.314 28.383 28.738 -0.069 0.000 0.912 148 Q HN 0.599 nan 8.270 nan 0.000 0.436 149 I N -1.362 119.171 120.570 -0.061 0.000 2.852 149 I HA -0.092 4.078 4.170 -0.000 0.000 0.264 149 I C 1.813 177.899 176.117 -0.052 0.000 1.179 149 I CA 0.385 61.647 61.300 -0.064 0.000 1.480 149 I CB -0.050 37.904 38.000 -0.077 0.000 1.111 149 I HN -0.045 nan 8.210 nan 0.000 0.441 150 S N 1.537 117.221 115.700 -0.027 0.000 2.419 150 S HA -0.170 4.300 4.470 -0.000 0.000 0.233 150 S C 1.947 176.560 174.600 0.021 0.000 1.016 150 S CA 1.471 59.687 58.200 0.027 0.000 0.974 150 S CB -0.191 63.101 63.200 0.153 0.000 0.786 150 S HN 0.545 nan 8.310 nan 0.000 0.492 151 K N 1.222 121.589 120.400 -0.055 0.000 2.076 151 K HA 0.006 4.326 4.320 -0.000 0.000 0.204 151 K C 1.215 177.785 176.600 -0.050 0.000 1.051 151 K CA 1.465 57.707 56.287 -0.075 0.000 0.949 151 K CB -0.641 31.750 32.500 -0.180 0.000 0.726 151 K HN 0.322 nan 8.250 nan 0.000 0.443 152 T N -0.269 114.254 114.554 -0.053 0.000 3.264 152 T HA 0.320 4.670 4.350 -0.000 0.000 0.257 152 T C 0.280 174.969 174.700 -0.018 0.000 0.976 152 T CA -0.644 61.434 62.100 -0.036 0.000 0.908 152 T CB -0.420 68.423 68.868 -0.043 0.000 1.082 152 T HN 0.220 nan 8.240 nan 0.000 0.567 153 I N 1.389 121.957 120.570 -0.002 0.000 2.441 153 I HA 0.246 4.416 4.170 -0.000 0.000 0.287 153 I C 1.111 177.245 176.117 0.029 0.000 1.049 153 I CA -0.214 61.096 61.300 0.016 0.000 1.381 153 I CB 1.192 39.210 38.000 0.031 0.000 1.409 153 I HN 0.182 nan 8.210 nan 0.000 0.523 154 E N 5.946 126.161 120.200 0.027 0.000 2.330 154 E HA 0.062 4.412 4.350 -0.000 0.000 0.200 154 E C -0.241 176.380 176.600 0.035 0.000 0.922 154 E CA 0.215 56.629 56.400 0.023 0.000 0.935 154 E CB 0.583 30.286 29.700 0.005 0.000 0.917 154 E HN 0.828 nan 8.360 nan 0.000 0.491 155 E N -0.997 119.229 120.200 0.043 0.000 2.449 155 E HA 0.333 4.683 4.350 -0.000 0.000 0.278 155 E C -1.399 175.264 176.600 0.105 0.000 0.992 155 E CA -1.058 55.361 56.400 0.031 0.000 0.807 155 E CB 1.233 30.911 29.700 -0.036 0.000 1.350 155 E HN 0.059 nan 8.360 nan 0.000 0.462 156 Y N -0.730 119.567 120.300 -0.006 0.000 2.433 156 Y HA 0.764 5.314 4.550 -0.000 0.000 0.337 156 Y C -1.183 174.704 175.900 -0.021 0.000 1.026 156 Y CA -1.196 56.896 58.100 -0.014 0.000 1.037 156 Y CB 1.376 39.833 38.460 -0.005 0.000 1.245 156 Y HN 0.746 nan 8.280 nan 0.000 0.443 157 A N 5.867 128.747 122.820 0.099 0.000 2.409 157 A HA 0.614 4.934 4.320 -0.000 0.000 0.267 157 A C -0.630 177.008 177.584 0.090 0.000 1.127 157 A CA -0.331 51.717 52.037 0.019 0.000 0.795 157 A CB -0.103 18.898 19.000 0.002 0.000 1.061 157 A HN 0.974 nan 8.150 nan 0.000 0.502 158 I N 1.654 122.238 120.570 0.024 0.000 2.802 158 I HA 0.395 4.565 4.170 -0.000 0.000 0.298 158 I C -1.198 174.908 176.117 -0.018 0.000 1.176 158 I CA -0.734 60.603 61.300 0.062 0.000 1.025 158 I CB 2.019 40.163 38.000 0.240 0.000 1.243 158 I HN 0.536 nan 8.210 nan 0.000 0.424 159 C N 8.227 127.498 119.300 -0.048 0.000 2.184 159 C HA 0.315 4.775 4.460 -0.000 0.000 0.328 159 C C -1.132 173.826 174.990 -0.052 0.000 1.081 159 C CA -1.023 57.954 59.018 -0.069 0.000 1.533 159 C CB -0.230 27.437 27.740 -0.123 0.000 1.905 159 C HN 0.578 nan 8.230 nan 0.000 0.439 160 P HA -0.127 nan 4.420 nan 0.000 0.218 160 P C 0.299 177.581 177.300 -0.029 0.000 1.148 160 P CA 1.552 64.643 63.100 -0.015 0.000 0.822 160 P CB -0.039 31.658 31.700 -0.005 0.000 0.784 161 D N -0.917 119.461 120.400 -0.036 0.000 3.071 161 D HA 0.224 4.864 4.640 -0.000 0.000 0.259 161 D C -0.076 176.186 176.300 -0.062 0.000 1.331 161 D CA -0.282 53.697 54.000 -0.034 0.000 0.861 161 D CB -0.834 39.956 40.800 -0.016 0.000 1.059 161 D HN 0.094 nan 8.370 nan 0.000 0.486 162 L N 0.797 121.957 121.223 -0.105 0.000 2.387 162 L HA 0.328 4.668 4.340 -0.000 0.000 0.259 162 L C -0.618 176.141 176.870 -0.185 0.000 1.050 162 L CA -0.785 53.931 54.840 -0.206 0.000 0.922 162 L CB 0.820 42.706 42.059 -0.288 0.000 1.280 162 L HN 0.020 nan 8.230 nan 0.000 0.449 163 K N 3.141 123.471 120.400 -0.117 0.000 2.234 163 K HA 0.574 4.894 4.320 -0.000 0.000 0.277 163 K C -1.271 175.321 176.600 -0.013 0.000 1.038 163 K CA -0.503 55.749 56.287 -0.057 0.000 0.888 163 K CB 1.279 33.769 32.500 -0.016 0.000 1.091 163 K HN 0.286 nan 8.250 nan 0.000 0.467 164 V N 3.214 123.128 119.914 -0.000 0.000 2.555 164 V HA 0.120 4.240 4.120 -0.000 0.000 0.302 164 V C -0.497 175.641 176.094 0.073 0.000 1.038 164 V CA -0.947 61.414 62.300 0.103 0.000 0.887 164 V CB 1.684 33.582 31.823 0.124 0.000 0.991 164 V HN 0.768 nan 8.190 nan 0.000 0.434 165 D N 3.185 123.639 120.400 0.090 0.000 2.402 165 D HA 0.202 4.842 4.640 -0.000 0.000 0.235 165 D C 0.695 177.015 176.300 0.033 0.000 1.226 165 D CA -0.118 53.908 54.000 0.044 0.000 0.918 165 D CB 1.043 41.864 40.800 0.036 0.000 1.043 165 D HN 0.343 nan 8.370 nan 0.000 0.506 166 L N 2.830 124.063 121.223 0.017 0.000 2.465 166 L HA 0.123 4.463 4.340 -0.000 0.000 0.224 166 L C 2.399 179.267 176.870 -0.003 0.000 1.145 166 L CA 0.973 55.818 54.840 0.008 0.000 0.834 166 L CB -0.116 41.940 42.059 -0.005 0.000 0.944 166 L HN 0.535 nan 8.230 nan 0.000 0.451 167 G N -1.502 107.295 108.800 -0.006 0.000 2.408 167 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.215 167 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.215 167 G C 0.695 175.588 174.900 -0.012 0.000 1.156 167 G CA 0.168 45.261 45.100 -0.013 0.000 0.793 167 G HN 0.111 nan 8.290 nan 0.000 0.535 168 V N 2.159 122.069 119.914 -0.007 0.000 2.455 168 V HA 0.371 4.491 4.120 -0.000 0.000 0.273 168 V C 0.240 176.326 176.094 -0.014 0.000 1.045 168 V CA -0.806 61.487 62.300 -0.011 0.000 0.976 168 V CB 0.819 32.636 31.823 -0.010 0.000 0.993 168 V HN 0.175 nan 8.190 nan 0.000 0.475 169 L N 7.508 128.720 121.223 -0.018 0.000 2.453 169 L HA 0.622 4.962 4.340 -0.000 0.000 0.272 169 L C 0.791 177.646 176.870 -0.026 0.000 1.182 169 L CA 1.113 55.941 54.840 -0.020 0.000 0.858 169 L CB 0.600 42.646 42.059 -0.020 0.000 1.120 169 L HN 0.963 nan 8.230 nan 0.000 0.474 170 G N 2.697 111.479 108.800 -0.030 0.000 2.359 170 G HA2 0.002 3.962 3.960 -0.000 0.000 0.314 170 G HA3 0.002 3.962 3.960 -0.000 0.000 0.314 170 G C -1.772 173.096 174.900 -0.054 0.000 1.364 170 G CA -0.910 44.166 45.100 -0.041 0.000 0.978 170 G HN 0.483 nan 8.290 nan 0.000 0.615 171 K N 0.333 120.691 120.400 -0.069 0.000 2.143 171 K HA 0.617 4.937 4.320 -0.000 0.000 0.272 171 K C -0.006 176.512 176.600 -0.137 0.000 1.001 171 K CA -0.466 55.765 56.287 -0.093 0.000 0.915 171 K CB 0.748 33.196 32.500 -0.087 0.000 1.047 171 K HN 0.628 nan 8.250 nan 0.000 0.458 172 Q N 2.862 122.547 119.800 -0.192 0.000 2.359 172 Q HA 0.323 4.663 4.340 -0.000 0.000 0.274 172 Q C -1.113 174.601 176.000 -0.476 0.000 1.074 172 Q CA -1.266 54.328 55.803 -0.347 0.000 0.810 172 Q CB 2.234 30.720 28.738 -0.422 0.000 1.342 172 Q HN 0.363 nan 8.270 nan 0.000 0.427 173 Q N 1.588 121.077 119.800 -0.519 0.000 2.235 173 Q HA 0.581 4.921 4.340 -0.000 0.000 0.256 173 Q C -1.155 174.517 176.000 -0.547 0.000 0.951 173 Q CA -0.263 55.306 55.803 -0.391 0.000 0.890 173 Q CB 1.542 30.159 28.738 -0.201 0.000 1.279 173 Q HN 0.560 nan 8.270 nan 0.000 0.444 174 F N 0.510 120.483 119.950 0.039 0.000 2.557 174 F HA 0.281 4.808 4.527 -0.000 0.000 0.316 174 F C 0.007 175.873 175.800 0.111 0.000 1.141 174 F CA -0.811 57.249 58.000 0.100 0.000 0.922 174 F CB 1.924 41.046 39.000 0.202 0.000 1.194 174 F HN 0.226 nan 8.300 nan 0.000 0.443 175 D N 5.124 125.669 120.400 0.243 0.000 2.233 175 D HA 0.522 5.162 4.640 -0.000 0.000 0.240 175 D C -0.670 175.715 176.300 0.141 0.000 1.074 175 D CA -0.171 53.921 54.000 0.154 0.000 0.838 175 D CB 1.976 42.825 40.800 0.081 0.000 1.124 175 D HN 0.399 nan 8.370 nan 0.000 0.475 176 L N -0.386 120.908 121.223 0.118 0.000 2.342 176 L HA 0.463 4.803 4.340 -0.000 0.000 0.271 176 L C 0.605 177.508 176.870 0.055 0.000 1.008 176 L CA -1.133 53.749 54.840 0.071 0.000 0.818 176 L CB 1.713 43.795 42.059 0.039 0.000 1.296 176 L HN 0.089 nan 8.230 nan 0.000 0.427 177 E N 2.335 122.557 120.200 0.037 0.000 3.197 177 E HA -0.179 4.171 4.350 -0.000 0.000 0.251 177 E C -0.499 176.125 176.600 0.040 0.000 0.912 177 E CA 0.625 57.045 56.400 0.033 0.000 0.960 177 E CB -0.108 29.603 29.700 0.018 0.000 0.897 177 E HN 0.695 nan 8.360 nan 0.000 0.550 178 N N 3.262 121.993 118.700 0.053 0.000 2.614 178 N HA -0.232 4.508 4.740 -0.000 0.000 0.276 178 N C -0.979 174.577 175.510 0.078 0.000 1.119 178 N CA 1.172 54.262 53.050 0.066 0.000 0.742 178 N CB -0.456 38.060 38.487 0.047 0.000 0.900 178 N HN 0.398 nan 8.380 nan 0.000 0.549 179 K N 0.822 121.287 120.400 0.109 0.000 2.834 179 K HA 0.188 4.508 4.320 -0.000 0.000 0.259 179 K C 0.299 177.014 176.600 0.192 0.000 1.158 179 K CA -0.527 55.839 56.287 0.130 0.000 1.068 179 K CB -0.077 32.481 32.500 0.096 0.000 1.324 179 K HN 0.128 nan 8.250 nan 0.000 0.552 180 F N 1.809 121.779 119.950 0.033 0.000 2.076 180 F HA -0.328 4.199 4.527 -0.000 0.000 0.294 180 F C 0.361 176.185 175.800 0.039 0.000 1.078 180 F CA 1.586 59.605 58.000 0.032 0.000 1.247 180 F CB 0.316 39.331 39.000 0.026 0.000 0.984 180 F HN 0.229 nan 8.300 nan 0.000 0.491 181 K N 1.135 121.663 120.400 0.214 0.000 2.248 181 K HA 0.252 4.572 4.320 -0.000 0.000 0.281 181 K C -2.429 174.229 176.600 0.096 0.000 1.054 181 K CA -1.846 54.501 56.287 0.101 0.000 0.903 181 K CB 0.525 33.110 32.500 0.140 0.000 1.077 181 K HN -0.079 nan 8.250 nan 0.000 0.474 182 P HA -0.011 nan 4.420 nan 0.000 0.271 182 P C -0.771 176.639 177.300 0.183 0.000 1.216 182 P CA -0.434 62.730 63.100 0.107 0.000 0.776 182 P CB 0.328 32.053 31.700 0.040 0.000 0.881 183 F N 2.977 122.988 119.950 0.101 0.000 2.506 183 F HA 0.191 4.718 4.527 -0.000 0.000 0.371 183 F C -0.014 175.887 175.800 0.169 0.000 1.078 183 F CA 0.388 58.467 58.000 0.131 0.000 1.195 183 F CB -0.083 39.007 39.000 0.149 0.000 1.099 183 F HN 0.124 nan 8.300 nan 0.000 0.548 184 T N 6.183 120.501 114.554 -0.394 0.000 2.824 184 T HA 0.565 4.915 4.350 -0.000 0.000 0.280 184 T C -0.792 173.571 174.700 -0.562 0.000 0.995 184 T CA -0.593 61.284 62.100 -0.371 0.000 1.009 184 T CB 1.506 70.261 68.868 -0.189 0.000 0.955 184 T HN 0.324 nan 8.240 nan 0.000 0.452 185 V N 3.125 122.850 119.914 -0.315 0.000 2.376 185 V HA 0.399 4.519 4.120 -0.000 0.000 0.287 185 V C 0.011 176.044 176.094 -0.102 0.000 1.015 185 V CA -0.775 61.414 62.300 -0.185 0.000 0.834 185 V CB 1.373 33.210 31.823 0.023 0.000 1.001 185 V HN 0.886 nan 8.190 nan 0.000 0.428 186 E N 4.694 124.844 120.200 -0.084 0.000 2.063 186 E HA 0.476 4.826 4.350 -0.000 0.000 0.265 186 E C -0.898 175.684 176.600 -0.030 0.000 0.919 186 E CA -0.538 55.828 56.400 -0.057 0.000 0.756 186 E CB 0.969 30.636 29.700 -0.054 0.000 1.120 186 E HN 0.672 nan 8.360 nan 0.000 0.414 187 I N 4.981 125.537 120.570 -0.023 0.000 2.322 187 I HA 0.114 4.284 4.170 -0.000 0.000 0.292 187 I C -0.195 175.914 176.117 -0.013 0.000 1.060 187 I CA -0.354 60.939 61.300 -0.011 0.000 1.309 187 I CB 1.062 39.059 38.000 -0.005 0.000 1.415 187 I HN 0.274 nan 8.210 nan 0.000 0.492 188 V N 6.230 126.140 119.914 -0.007 0.000 2.716 188 V HA 0.139 4.259 4.120 -0.000 0.000 0.304 188 V C 0.414 176.505 176.094 -0.005 0.000 1.053 188 V CA -0.625 61.673 62.300 -0.004 0.000 0.984 188 V CB 1.772 33.598 31.823 0.005 0.000 1.021 188 V HN 0.656 nan 8.190 nan 0.000 0.467 189 D N 1.829 122.226 120.400 -0.006 0.000 2.423 189 D HA 0.027 4.667 4.640 -0.000 0.000 0.238 189 D C 1.008 177.301 176.300 -0.012 0.000 1.142 189 D CA 0.193 54.183 54.000 -0.017 0.000 0.884 189 D CB 1.482 42.272 40.800 -0.017 0.000 1.199 189 D HN 0.552 nan 8.370 nan 0.000 0.438 190 S N 2.115 117.787 115.700 -0.046 0.000 2.355 190 S HA -0.120 4.350 4.470 -0.000 0.000 0.222 190 S C 1.961 176.542 174.600 -0.030 0.000 1.031 190 S CA 0.668 58.839 58.200 -0.049 0.000 0.993 190 S CB -0.010 63.106 63.200 -0.139 0.000 0.859 190 S HN 0.487 nan 8.310 nan 0.000 0.453 191 V N 1.823 121.653 119.914 -0.139 0.000 2.535 191 V HA -0.052 4.068 4.120 -0.000 0.000 0.246 191 V C 2.422 178.612 176.094 0.160 0.000 1.045 191 V CA 0.999 63.285 62.300 -0.024 0.000 1.058 191 V CB -0.642 31.074 31.823 -0.177 0.000 0.689 191 V HN 0.399 nan 8.190 nan 0.000 0.461 192 E N 1.248 121.490 120.200 0.070 0.000 2.094 192 E HA -0.391 3.959 4.350 -0.000 0.000 0.232 192 E C 2.247 178.897 176.600 0.084 0.000 1.055 192 E CA 2.440 58.878 56.400 0.064 0.000 0.923 192 E CB -0.380 29.338 29.700 0.031 0.000 0.815 192 E HN 0.475 nan 8.360 nan 0.000 0.502 193 A N 0.075 122.949 122.820 0.090 0.000 1.917 193 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 193 A C 2.210 179.867 177.584 0.121 0.000 1.182 193 A CA 1.959 54.045 52.037 0.082 0.000 0.633 193 A CB -1.155 17.893 19.000 0.080 0.000 0.819 193 A HN 0.643 nan 8.150 nan 0.000 0.448 194 Y N 0.351 120.702 120.300 0.084 0.000 2.181 194 Y HA -0.130 4.420 4.550 -0.000 0.000 0.288 194 Y C 2.619 178.597 175.900 0.130 0.000 1.146 194 Y CA 1.657 59.826 58.100 0.116 0.000 1.164 194 Y CB -0.316 38.259 38.460 0.192 0.000 0.982 194 Y HN 0.325 nan 8.280 nan 0.000 0.515 195 A N -0.618 122.204 122.820 0.002 0.000 1.898 195 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 195 A C 2.160 179.670 177.584 -0.124 0.000 1.181 195 A CA 2.047 54.049 52.037 -0.057 0.000 0.620 195 A CB -1.293 17.755 19.000 0.080 0.000 0.819 195 A HN 0.506 nan 8.150 nan 0.000 0.442 196 T N -0.189 114.317 114.554 -0.081 0.000 2.803 196 T HA -0.169 4.181 4.350 -0.000 0.000 0.269 196 T C 1.893 176.504 174.700 -0.149 0.000 1.052 196 T CA 1.531 63.563 62.100 -0.114 0.000 1.136 196 T CB -0.266 68.568 68.868 -0.056 0.000 0.864 196 T HN 0.467 nan 8.240 nan 0.000 0.467 197 M N 0.676 120.198 119.600 -0.130 0.000 2.099 197 M HA 0.007 4.487 4.480 -0.000 0.000 0.262 197 M C 1.959 178.153 176.300 -0.177 0.000 1.067 197 M CA 1.581 56.808 55.300 -0.122 0.000 1.124 197 M CB -0.333 32.227 32.600 -0.066 0.000 1.353 197 M HN 0.246 nan 8.290 nan 0.000 0.410 198 L N -0.663 120.427 121.223 -0.222 0.000 2.201 198 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 198 L C 2.491 179.197 176.870 -0.273 0.000 1.105 198 L CA 0.816 55.600 54.840 -0.093 0.000 0.775 198 L CB -0.762 41.382 42.059 0.142 0.000 0.913 198 L HN 0.322 nan 8.230 nan 0.000 0.440 199 R N 0.873 120.993 120.500 -0.633 0.000 2.091 199 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 199 R C 1.708 177.693 176.300 -0.525 0.000 1.136 199 R CA 1.710 57.191 56.100 -1.032 0.000 0.959 199 R CB -0.158 29.760 30.300 -0.637 0.000 0.856 199 R HN 0.260 nan 8.270 nan 0.000 0.437 200 N N -0.831 117.694 118.700 -0.292 0.000 2.398 200 N HA 0.112 4.852 4.740 -0.000 0.000 0.188 200 N C 0.780 176.214 175.510 -0.125 0.000 1.122 200 N CA 0.423 53.377 53.050 -0.160 0.000 0.866 200 N CB 0.324 38.751 38.487 -0.100 0.000 0.970 200 N HN 0.271 nan 8.380 nan 0.000 0.462 201 I N -1.333 119.110 120.570 -0.213 0.000 3.039 201 I HA 0.104 4.274 4.170 -0.000 0.000 0.270 201 I C -0.283 175.583 176.117 -0.419 0.000 1.150 201 I CA 0.422 61.508 61.300 -0.356 0.000 1.448 201 I CB 0.286 37.896 38.000 -0.650 0.000 1.197 201 I HN -0.127 nan 8.210 nan 0.000 0.450 202 F N -0.120 119.903 119.950 0.122 0.000 2.541 202 F HA 0.304 4.831 4.527 -0.000 0.000 0.331 202 F C 0.417 176.361 175.800 0.241 0.000 1.057 202 F CA -1.153 56.956 58.000 0.182 0.000 0.975 202 F CB 0.410 39.546 39.000 0.227 0.000 1.246 202 F HN -0.244 nan 8.300 nan 0.000 0.484 203 D N 1.282 121.910 120.400 0.380 0.000 2.435 203 D HA 0.060 4.700 4.640 -0.000 0.000 0.230 203 D C 0.785 177.290 176.300 0.341 0.000 1.215 203 D CA 0.201 54.362 54.000 0.268 0.000 0.947 203 D CB -0.037 40.853 40.800 0.151 0.000 1.048 203 D HN 0.281 nan 8.370 nan 0.000 0.512 204 F N 2.189 122.177 119.950 0.062 0.000 2.408 204 F HA -0.099 4.428 4.527 -0.000 0.000 0.300 204 F C 2.123 177.930 175.800 0.012 0.000 1.090 204 F CA 0.603 58.625 58.000 0.036 0.000 1.427 204 F CB -0.222 38.800 39.000 0.036 0.000 1.070 204 F HN 0.448 nan 8.300 nan 0.000 0.549 205 N N -0.289 118.513 118.700 0.171 0.000 2.251 205 N HA -0.055 4.685 4.740 -0.000 0.000 0.181 205 N C 2.127 177.657 175.510 0.033 0.000 1.019 205 N CA 1.032 54.131 53.050 0.081 0.000 0.862 205 N CB -0.268 38.260 38.487 0.068 0.000 0.992 205 N HN 0.222 nan 8.380 nan 0.000 0.429 206 A N 1.327 124.169 122.820 0.037 0.000 1.978 206 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 206 A C 2.241 179.798 177.584 -0.044 0.000 1.170 206 A CA 1.073 53.112 52.037 0.003 0.000 0.636 206 A CB -0.541 18.469 19.000 0.017 0.000 0.810 206 A HN 0.140 nan 8.150 nan 0.000 0.448 207 L N -1.044 120.132 121.223 -0.078 0.000 2.095 207 L HA -0.057 4.283 4.340 -0.000 0.000 0.204 207 L C 2.445 179.229 176.870 -0.142 0.000 1.080 207 L CA 1.763 56.504 54.840 -0.165 0.000 0.759 207 L CB -0.255 41.620 42.059 -0.307 0.000 0.914 207 L HN 0.344 nan 8.230 nan 0.000 0.439 208 K N -0.201 120.136 120.400 -0.105 0.000 2.074 208 K HA -0.279 4.041 4.320 -0.000 0.000 0.209 208 K C 2.094 178.665 176.600 -0.049 0.000 1.048 208 K CA 1.818 58.064 56.287 -0.069 0.000 0.926 208 K CB -0.021 32.466 32.500 -0.022 0.000 0.713 208 K HN 0.271 nan 8.250 nan 0.000 0.444 209 E N 0.243 120.419 120.200 -0.039 0.000 2.077 209 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 209 E C 1.942 178.516 176.600 -0.042 0.000 0.989 209 E CA 0.823 57.204 56.400 -0.031 0.000 0.800 209 E CB -0.025 29.662 29.700 -0.022 0.000 0.746 209 E HN 0.253 nan 8.360 nan 0.000 0.452 210 L N 0.870 122.056 121.223 -0.063 0.000 2.093 210 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 210 L C 1.935 178.764 176.870 -0.069 0.000 1.085 210 L CA 1.508 56.304 54.840 -0.072 0.000 0.755 210 L CB -0.357 41.640 42.059 -0.104 0.000 0.904 210 L HN 0.308 nan 8.230 nan 0.000 0.435 211 L N -0.616 120.562 121.223 -0.075 0.000 2.375 211 L HA 0.012 4.352 4.340 -0.000 0.000 0.215 211 L C 1.372 178.222 176.870 -0.033 0.000 1.108 211 L CA 0.865 55.670 54.840 -0.058 0.000 0.830 211 L CB -0.113 41.901 42.059 -0.075 0.000 0.959 211 L HN 0.380 nan 8.230 nan 0.000 0.457 212 S N -1.805 113.876 115.700 -0.031 0.000 3.073 212 S HA 0.384 4.854 4.470 -0.000 0.000 0.252 212 S C 0.280 174.871 174.600 -0.015 0.000 0.953 212 S CA -0.154 58.035 58.200 -0.018 0.000 1.105 212 S CB 0.457 63.648 63.200 -0.015 0.000 1.070 212 S HN 0.197 nan 8.310 nan 0.000 0.574 213 G N 2.637 111.426 108.800 -0.018 0.000 3.194 213 G HA2 0.549 4.509 3.960 -0.000 0.000 0.160 213 G HA3 0.549 4.509 3.960 -0.000 0.000 0.160 213 G C -1.634 173.259 174.900 -0.012 0.000 1.267 213 G CA -1.017 44.075 45.100 -0.014 0.000 0.962 213 G HN 0.190 nan 8.290 nan 0.000 0.612 214 P HA -0.116 nan 4.420 nan 0.000 0.220 214 P C 0.299 177.593 177.300 -0.010 0.000 1.142 214 P CA 1.889 64.983 63.100 -0.010 0.000 0.801 214 P CB 0.079 31.773 31.700 -0.011 0.000 0.764 215 N N -3.318 115.376 118.700 -0.011 0.000 2.003 215 N HA 0.025 4.765 4.740 -0.000 0.000 0.271 215 N C -0.141 175.363 175.510 -0.010 0.000 1.166 215 N CA -0.207 52.836 53.050 -0.010 0.000 0.760 215 N CB -0.031 38.449 38.487 -0.012 0.000 1.607 215 N HN -0.095 nan 8.380 nan 0.000 0.588 216 R N 0.132 120.624 120.500 -0.012 0.000 1.523 216 R HA -0.134 4.206 4.340 -0.000 0.000 0.408 216 R C -1.632 174.665 176.300 -0.005 0.000 1.263 216 R CA -0.167 55.927 56.100 -0.009 0.000 0.934 216 R CB -1.035 29.263 30.300 -0.002 0.000 2.954 216 R HN 0.332 nan 8.270 nan 0.000 0.496 217 L N 5.654 126.870 121.223 -0.011 0.000 2.456 217 L HA 0.159 4.499 4.340 -0.000 0.000 0.277 217 L C 0.177 177.070 176.870 0.038 0.000 1.124 217 L CA 0.657 55.497 54.840 0.001 0.000 0.880 217 L CB 0.534 42.576 42.059 -0.029 0.000 1.192 217 L HN 0.322 nan 8.230 nan 0.000 0.463 218 K N 7.616 128.056 120.400 0.066 0.000 2.294 218 K HA 0.229 4.549 4.320 -0.000 0.000 0.288 218 K C -0.242 176.485 176.600 0.212 0.000 1.072 218 K CA 0.077 56.442 56.287 0.130 0.000 0.960 218 K CB -0.175 32.389 32.500 0.106 0.000 1.043 218 K HN 0.642 nan 8.250 nan 0.000 0.455 219 I N -0.660 120.008 120.570 0.163 0.000 2.577 219 I HA 0.534 4.704 4.170 -0.000 0.000 0.305 219 I C -0.346 175.782 176.117 0.019 0.000 0.986 219 I CA -1.112 60.283 61.300 0.158 0.000 1.189 219 I CB 1.475 39.590 38.000 0.192 0.000 1.355 219 I HN 0.269 nan 8.210 nan 0.000 0.476 220 R N 4.743 125.159 120.500 -0.140 0.000 2.409 220 R HA 0.642 4.982 4.340 -0.000 0.000 0.313 220 R C -1.883 174.333 176.300 -0.139 0.000 0.953 220 R CA -0.519 55.416 56.100 -0.275 0.000 0.849 220 R CB 1.067 30.981 30.300 -0.644 0.000 1.171 220 R HN 0.765 nan 8.270 nan 0.000 0.458 221 I N 3.118 123.666 120.570 -0.037 0.000 2.389 221 I HA 0.259 4.429 4.170 -0.000 0.000 0.288 221 I C -0.748 175.395 176.117 0.042 0.000 0.999 221 I CA -0.467 60.851 61.300 0.030 0.000 1.129 221 I CB 1.835 39.949 38.000 0.191 0.000 1.288 221 I HN 0.505 nan 8.210 nan 0.000 0.444 222 D N 5.621 126.015 120.400 -0.009 0.000 2.412 222 D HA 0.397 5.037 4.640 -0.000 0.000 0.224 222 D C 0.646 177.038 176.300 0.153 0.000 1.093 222 D CA -0.185 53.824 54.000 0.015 0.000 0.850 222 D CB 1.718 42.485 40.800 -0.055 0.000 1.046 222 D HN 0.614 nan 8.370 nan 0.000 0.507 223 A N 3.993 126.931 122.820 0.197 0.000 2.235 223 A HA 0.038 4.358 4.320 -0.000 0.000 0.208 223 A C 1.336 179.022 177.584 0.170 0.000 1.172 223 A CA 0.071 52.284 52.037 0.294 0.000 0.786 223 A CB -0.590 18.497 19.000 0.144 0.000 0.804 223 A HN 0.811 nan 8.150 nan 0.000 0.479 224 M N -1.170 118.452 119.600 0.036 0.000 2.212 224 M HA -0.280 4.200 4.480 -0.000 0.000 0.193 224 M C 0.220 176.619 176.300 0.166 0.000 0.493 224 M CA 1.009 56.331 55.300 0.036 0.000 0.427 224 M CB -1.987 30.679 32.600 0.110 0.000 1.120 224 M HN 0.783 nan 8.290 nan 0.000 0.929 225 H N -3.633 115.568 119.070 0.218 0.000 2.932 225 H HA -0.134 4.422 4.556 -0.000 0.000 0.290 225 H C 1.025 176.478 175.328 0.209 0.000 1.108 225 H CA 1.039 57.197 56.048 0.182 0.000 1.172 225 H CB -1.495 28.361 29.762 0.156 0.000 1.325 225 H HN 0.807 nan 8.280 nan 0.000 0.354 226 G N -1.086 107.918 108.800 0.340 0.000 2.705 226 G HA2 0.374 4.334 3.960 -0.000 0.000 0.299 226 G HA3 0.374 4.334 3.960 -0.000 0.000 0.299 226 G C 0.824 175.832 174.900 0.181 0.000 1.315 226 G CA -0.176 45.152 45.100 0.379 0.000 1.045 226 G HN 0.157 nan 8.290 nan 0.000 0.517 227 V N -0.229 119.780 119.914 0.159 0.000 2.660 227 V HA -0.132 3.988 4.120 -0.000 0.000 0.257 227 V C 2.650 178.845 176.094 0.169 0.000 1.088 227 V CA 1.970 64.345 62.300 0.125 0.000 1.106 227 V CB -0.035 31.845 31.823 0.096 0.000 0.686 227 V HN 0.408 nan 8.190 nan 0.000 0.481 228 V N 0.347 120.291 119.914 0.050 0.000 3.510 228 V HA 0.062 4.182 4.120 -0.000 0.000 0.270 228 V C 2.156 178.294 176.094 0.072 0.000 1.201 228 V CA 1.393 63.667 62.300 -0.044 0.000 1.166 228 V CB -0.414 31.150 31.823 -0.432 0.000 0.825 228 V HN 0.605 nan 8.190 nan 0.000 0.484 229 G N 0.924 109.780 108.800 0.093 0.000 2.480 229 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 229 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 229 G C -0.157 174.773 174.900 0.051 0.000 1.200 229 G CA 1.088 46.226 45.100 0.063 0.000 0.782 229 G HN 0.537 nan 8.290 nan 0.000 0.554 230 P HA -0.166 nan 4.420 nan 0.000 0.217 230 P C 1.138 178.370 177.300 -0.115 0.000 1.151 230 P CA 1.173 64.215 63.100 -0.097 0.000 0.849 230 P CB -0.179 31.391 31.700 -0.217 0.000 0.787 231 Y N -1.082 119.205 120.300 -0.022 0.000 2.163 231 Y HA -0.140 4.410 4.550 0.000 0.000 0.288 231 Y C 2.504 178.406 175.900 0.003 0.000 1.136 231 Y CA 0.849 58.956 58.100 0.011 0.000 1.147 231 Y CB -1.454 36.990 38.460 -0.026 0.000 0.987 231 Y HN -0.264 nan 8.280 nan 0.000 0.509 232 V N 0.462 120.440 119.914 0.107 0.000 2.407 232 V HA -0.298 3.821 4.120 -0.000 0.000 0.248 232 V C 2.102 178.234 176.094 0.063 0.000 1.055 232 V CA 1.840 64.178 62.300 0.063 0.000 1.049 232 V CB -0.491 31.364 31.823 0.054 0.000 0.662 232 V HN 0.406 nan 8.190 nan 0.000 0.455 233 K N 0.005 120.433 120.400 0.046 0.000 2.001 233 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 233 K C 2.254 178.870 176.600 0.026 0.000 1.048 233 K CA 1.351 57.656 56.287 0.029 0.000 0.932 233 K CB -0.231 32.276 32.500 0.012 0.000 0.715 233 K HN 0.363 nan 8.250 nan 0.000 0.437 234 K N 0.464 120.875 120.400 0.018 0.000 2.155 234 K HA 0.018 4.338 4.320 -0.000 0.000 0.203 234 K C 2.118 178.756 176.600 0.064 0.000 1.052 234 K CA 0.841 57.143 56.287 0.024 0.000 0.948 234 K CB 0.108 32.604 32.500 -0.007 0.000 0.728 234 K HN 0.121 nan 8.250 nan 0.000 0.448 235 I N 0.195 120.823 120.570 0.097 0.000 2.522 235 I HA -0.164 4.006 4.170 -0.000 0.000 0.240 235 I C 2.142 178.284 176.117 0.042 0.000 1.078 235 I CA 0.698 62.069 61.300 0.118 0.000 1.422 235 I CB -0.159 37.956 38.000 0.192 0.000 1.188 235 I HN 0.027 nan 8.210 nan 0.000 0.442 236 L N 0.122 121.362 121.223 0.027 0.000 2.109 236 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 236 L C 2.444 179.308 176.870 -0.010 0.000 1.086 236 L CA 1.102 55.931 54.840 -0.019 0.000 0.760 236 L CB -0.180 41.889 42.059 0.016 0.000 0.910 236 L HN 0.455 nan 8.230 nan 0.000 0.437 237 C N -0.547 118.763 119.300 0.016 0.000 3.047 237 C HA -0.048 4.412 4.460 -0.000 0.000 0.286 237 C C 2.542 177.541 174.990 0.014 0.000 1.337 237 C CA -0.046 58.981 59.018 0.015 0.000 1.696 237 C CB -0.569 27.185 27.740 0.024 0.000 2.160 237 C HN 0.443 nan 8.230 nan 0.000 0.545 238 E N 0.635 120.847 120.200 0.021 0.000 2.130 238 E HA -0.283 4.067 4.350 -0.000 0.000 0.196 238 E C 1.957 178.575 176.600 0.030 0.000 0.998 238 E CA 1.721 58.135 56.400 0.022 0.000 0.806 238 E CB -0.109 29.604 29.700 0.022 0.000 0.738 238 E HN 0.665 nan 8.360 nan 0.000 0.459 239 E N -0.174 120.050 120.200 0.040 0.000 2.057 239 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 239 E C 1.594 178.212 176.600 0.029 0.000 0.959 239 E CA 0.116 56.553 56.400 0.061 0.000 0.828 239 E CB 0.208 29.982 29.700 0.123 0.000 0.800 239 E HN 0.026 nan 8.360 nan 0.000 0.460 240 L N -0.018 121.188 121.223 -0.028 0.000 2.552 240 L HA 0.216 4.556 4.340 -0.000 0.000 0.227 240 L C 1.555 178.393 176.870 -0.054 0.000 1.146 240 L CA 1.486 56.272 54.840 -0.089 0.000 0.858 240 L CB 0.021 41.953 42.059 -0.211 0.000 0.969 240 L HN 0.505 nan 8.230 nan 0.000 0.451 241 G N -1.572 107.213 108.800 -0.025 0.000 2.157 241 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.239 241 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.239 241 G C 0.559 175.451 174.900 -0.012 0.000 0.982 241 G CA 0.010 45.102 45.100 -0.014 0.000 0.650 241 G HN 0.648 nan 8.290 nan 0.000 0.527 242 A N 1.012 123.823 122.820 -0.015 0.000 2.520 242 A HA 0.601 4.921 4.320 -0.000 0.000 0.245 242 A C -1.166 176.426 177.584 0.014 0.000 1.072 242 A CA -0.432 51.604 52.037 -0.001 0.000 0.761 242 A CB 0.019 19.022 19.000 0.005 0.000 1.004 242 A HN 0.198 nan 8.150 nan 0.000 0.499 243 P HA 0.024 nan 4.420 nan 0.000 0.264 243 P C 1.023 178.341 177.300 0.030 0.000 1.179 243 P CA 0.926 64.041 63.100 0.025 0.000 0.763 243 P CB 0.560 32.279 31.700 0.031 0.000 0.806 244 A N 4.362 127.199 122.820 0.027 0.000 1.958 244 A HA -0.274 4.045 4.320 -0.000 0.000 0.221 244 A C 1.746 179.352 177.584 0.037 0.000 1.178 244 A CA 1.812 53.867 52.037 0.030 0.000 0.642 244 A CB -1.214 17.801 19.000 0.025 0.000 0.816 244 A HN 0.648 nan 8.150 nan 0.000 0.453 245 N N 0.385 119.110 118.700 0.041 0.000 2.503 245 N HA -0.114 4.626 4.740 -0.000 0.000 0.189 245 N C 1.513 177.058 175.510 0.058 0.000 1.048 245 N CA 1.390 54.471 53.050 0.052 0.000 0.905 245 N CB -0.217 38.307 38.487 0.062 0.000 0.951 245 N HN 0.506 nan 8.380 nan 0.000 0.446 246 S N 0.613 116.346 115.700 0.054 0.000 2.425 246 S HA 0.076 4.546 4.470 -0.000 0.000 0.225 246 S C 1.223 175.848 174.600 0.041 0.000 1.024 246 S CA 0.036 58.264 58.200 0.047 0.000 0.951 246 S CB 0.135 63.367 63.200 0.054 0.000 0.796 246 S HN 0.401 nan 8.310 nan 0.000 0.498 247 A N 3.027 125.875 122.820 0.048 0.000 2.915 247 A HA 0.490 4.810 4.320 -0.000 0.000 0.292 247 A C 0.345 177.955 177.584 0.043 0.000 1.632 247 A CA -0.555 51.515 52.037 0.055 0.000 1.337 247 A CB -0.682 18.349 19.000 0.052 0.000 1.111 247 A HN 0.294 nan 8.150 nan 0.000 0.569 248 V N 0.036 119.970 119.914 0.033 0.000 2.644 248 V HA 0.450 4.570 4.120 -0.000 0.000 0.295 248 V C 0.403 176.490 176.094 -0.012 0.000 1.053 248 V CA -0.919 61.392 62.300 0.017 0.000 0.987 248 V CB 0.866 32.695 31.823 0.009 0.000 1.006 248 V HN 0.769 nan 8.190 nan 0.000 0.472 249 N N 1.322 119.999 118.700 -0.039 0.000 2.727 249 N HA -0.189 4.551 4.740 -0.000 0.000 0.249 249 N C 0.433 175.860 175.510 -0.138 0.000 1.048 249 N CA 1.211 54.134 53.050 -0.210 0.000 0.714 249 N CB -1.483 36.701 38.487 -0.505 0.000 0.959 249 N HN 0.927 nan 8.380 nan 0.000 0.544 250 C N -0.102 119.193 119.300 -0.008 0.000 2.693 250 C HA 0.213 4.673 4.460 -0.000 0.000 0.286 250 C C 1.047 176.064 174.990 0.046 0.000 1.277 250 C CA -0.294 58.741 59.018 0.029 0.000 1.705 250 C CB -0.554 27.210 27.740 0.039 0.000 1.879 250 C HN 0.201 nan 8.230 nan 0.000 0.607 251 V N 2.762 122.721 119.914 0.075 0.000 2.333 251 V HA 0.258 4.378 4.120 -0.000 0.000 0.274 251 V C -2.372 173.767 176.094 0.075 0.000 1.028 251 V CA -1.618 60.722 62.300 0.067 0.000 0.851 251 V CB 0.816 32.678 31.823 0.066 0.000 1.000 251 V HN 0.123 nan 8.190 nan 0.000 0.456 252 P HA 0.151 nan 4.420 nan 0.000 0.259 252 P C -0.676 176.565 177.300 -0.099 0.000 1.211 252 P CA 0.405 63.484 63.100 -0.035 0.000 0.810 252 P CB 0.109 31.784 31.700 -0.042 0.000 0.815 253 L N 2.931 124.057 121.223 -0.161 0.000 2.317 253 L HA 0.305 4.645 4.340 -0.000 0.000 0.281 253 L C 1.698 178.350 176.870 -0.363 0.000 1.024 253 L CA -0.624 54.097 54.840 -0.200 0.000 0.810 253 L CB 1.214 43.168 42.059 -0.175 0.000 1.240 253 L HN 0.301 nan 8.230 nan 0.000 0.427 254 E N 0.818 120.890 120.200 -0.215 0.000 2.097 254 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 254 E C 0.808 177.320 176.600 -0.146 0.000 1.000 254 E CA 1.526 57.833 56.400 -0.154 0.000 0.804 254 E CB 0.100 29.840 29.700 0.066 0.000 0.740 254 E HN 0.689 nan 8.360 nan 0.000 0.454 255 D N -0.723 119.621 120.400 -0.093 0.000 2.347 255 D HA -0.079 4.561 4.640 -0.000 0.000 0.215 255 D C -0.065 176.301 176.300 0.111 0.000 0.976 255 D CA 0.101 54.099 54.000 -0.004 0.000 0.884 255 D CB 0.183 40.950 40.800 -0.056 0.000 0.915 255 D HN 0.071 nan 8.370 nan 0.000 0.526 256 F N -1.143 118.781 119.950 -0.044 0.000 3.057 256 F HA -0.296 4.231 4.527 0.000 0.000 0.287 256 F C 1.555 177.236 175.800 -0.198 0.000 0.834 256 F CA 0.550 58.538 58.000 -0.020 0.000 1.147 256 F CB -1.647 37.372 39.000 0.032 0.000 1.245 256 F HN 0.154 nan 8.300 nan 0.000 0.509 257 G N -1.373 107.290 108.800 -0.229 0.000 2.377 257 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.250 257 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.250 257 G C 1.815 176.536 174.900 -0.298 0.000 1.039 257 G CA 1.270 46.123 45.100 -0.412 0.000 0.625 257 G HN 1.928 nan 8.290 nan 0.000 0.526 258 G N -1.451 107.246 108.800 -0.171 0.000 2.905 258 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.196 258 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.196 258 G C 0.305 175.213 174.900 0.014 0.000 1.044 258 G CA 0.682 45.727 45.100 -0.092 0.000 0.778 258 G HN 1.198 nan 8.290 nan 0.000 0.474 259 H N 1.598 120.718 119.070 0.083 0.000 2.801 259 H HA 0.333 4.889 4.556 0.000 0.000 0.377 259 H C 0.352 175.713 175.328 0.055 0.000 1.304 259 H CA 0.322 56.445 56.048 0.125 0.000 1.451 259 H CB -0.100 29.750 29.762 0.147 0.000 1.474 259 H HN 0.464 nan 8.280 nan 0.000 0.620 260 H N 2.020 121.100 119.070 0.017 0.000 2.562 260 H HA 0.052 4.608 4.556 0.000 0.000 0.314 260 H C -1.364 173.812 175.328 -0.253 0.000 1.079 260 H CA -1.874 54.035 56.048 -0.232 0.000 1.349 260 H CB 1.359 30.813 29.762 -0.513 0.000 1.432 260 H HN 0.434 nan 8.280 nan 0.000 0.479 261 P HA -0.162 nan 4.420 nan 0.000 0.223 261 P C 0.475 177.690 177.300 -0.141 0.000 1.144 261 P CA 0.767 63.708 63.100 -0.266 0.000 0.783 261 P CB 0.121 31.492 31.700 -0.548 0.000 0.771 262 D N 2.119 122.427 120.400 -0.153 0.000 2.389 262 D HA 0.043 4.683 4.640 -0.000 0.000 0.263 262 D C -2.211 173.996 176.300 -0.155 0.000 1.255 262 D CA -1.839 52.090 54.000 -0.118 0.000 0.914 262 D CB 0.180 40.895 40.800 -0.142 0.000 1.116 262 D HN 0.138 nan 8.370 nan 0.000 0.502 263 P HA 0.248 nan 4.420 nan 0.000 0.287 263 P C -1.086 175.836 177.300 -0.629 0.000 1.307 263 P CA -0.467 62.447 63.100 -0.310 0.000 0.777 263 P CB 0.584 32.135 31.700 -0.249 0.000 0.883 264 N N 1.528 119.966 118.700 -0.436 0.000 3.261 264 N HA 0.147 4.887 4.740 -0.000 0.000 0.248 264 N C 0.436 175.750 175.510 -0.327 0.000 1.498 264 N CA -0.913 51.841 53.050 -0.494 0.000 0.884 264 N CB -0.085 38.121 38.487 -0.467 0.000 1.428 264 N HN -0.048 nan 8.380 nan 0.000 0.517 265 L N -0.729 120.272 121.223 -0.371 0.000 2.127 265 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 265 L C 1.884 178.566 176.870 -0.313 0.000 1.089 265 L CA 2.177 56.776 54.840 -0.403 0.000 0.757 265 L CB -0.965 40.807 42.059 -0.479 0.000 0.899 265 L HN 0.887 nan 8.230 nan 0.000 0.434 266 T N -3.964 110.397 114.554 -0.322 0.000 2.815 266 T HA -0.124 4.226 4.350 -0.000 0.000 0.244 266 T C 1.685 176.205 174.700 -0.300 0.000 1.040 266 T CA 0.413 62.295 62.100 -0.365 0.000 1.176 266 T CB -0.792 67.755 68.868 -0.536 0.000 0.880 266 T HN 0.041 nan 8.240 nan 0.000 0.414 267 Y N 2.744 122.904 120.300 -0.233 0.000 2.651 267 Y HA 0.413 4.963 4.550 0.000 0.000 0.293 267 Y C 1.639 177.424 175.900 -0.191 0.000 1.151 267 Y CA -0.196 57.772 58.100 -0.221 0.000 1.362 267 Y CB -0.585 37.740 38.460 -0.224 0.000 0.973 267 Y HN 0.443 nan 8.280 nan 0.000 0.561 268 A N -0.891 121.880 122.820 -0.082 0.000 3.258 268 A HA 0.733 5.053 4.320 -0.000 0.000 0.318 268 A C 1.243 178.738 177.584 -0.149 0.000 0.990 268 A CA 0.145 52.112 52.037 -0.117 0.000 0.885 268 A CB -0.329 18.583 19.000 -0.146 0.000 1.090 268 A HN 0.203 nan 8.150 nan 0.000 0.479 269 A N 0.441 123.171 122.820 -0.151 0.000 1.874 269 A HA -0.023 4.297 4.320 -0.000 0.000 0.214 269 A C 1.699 179.213 177.584 -0.116 0.000 1.189 269 A CA 1.664 53.615 52.037 -0.144 0.000 0.615 269 A CB -0.384 18.531 19.000 -0.141 0.000 0.830 269 A HN 0.545 nan 8.150 nan 0.000 0.443 270 D N 0.093 120.427 120.400 -0.110 0.000 2.230 270 D HA -0.250 4.390 4.640 -0.000 0.000 0.189 270 D C 1.933 178.198 176.300 -0.059 0.000 1.006 270 D CA 2.094 56.053 54.000 -0.067 0.000 0.853 270 D CB -0.680 40.096 40.800 -0.040 0.000 0.959 270 D HN 0.500 nan 8.370 nan 0.000 0.449 271 L N 0.152 121.330 121.223 -0.075 0.000 2.191 271 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 271 L C 2.134 178.952 176.870 -0.087 0.000 1.103 271 L CA 1.094 55.882 54.840 -0.087 0.000 0.769 271 L CB -0.088 41.902 42.059 -0.115 0.000 0.908 271 L HN -0.121 nan 8.230 nan 0.000 0.438 272 V N -0.153 119.703 119.914 -0.096 0.000 2.379 272 V HA -0.125 3.995 4.120 -0.000 0.000 0.245 272 V C 2.694 178.759 176.094 -0.047 0.000 1.044 272 V CA 1.602 63.851 62.300 -0.085 0.000 1.036 272 V CB -0.773 30.976 31.823 -0.124 0.000 0.664 272 V HN 0.442 nan 8.190 nan 0.000 0.453 273 E N 1.157 121.330 120.200 -0.046 0.000 2.051 273 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 273 E C 2.465 179.070 176.600 0.008 0.000 0.991 273 E CA 2.161 58.549 56.400 -0.020 0.000 0.799 273 E CB -0.724 28.961 29.700 -0.025 0.000 0.748 273 E HN 0.799 nan 8.360 nan 0.000 0.449 274 T N -0.574 113.985 114.554 0.009 0.000 2.929 274 T HA -0.073 4.277 4.350 -0.000 0.000 0.271 274 T C 1.757 176.509 174.700 0.088 0.000 1.085 274 T CA 0.766 62.895 62.100 0.048 0.000 1.125 274 T CB -0.009 68.885 68.868 0.043 0.000 0.874 274 T HN -0.048 nan 8.240 nan 0.000 0.494 275 M N 0.372 119.997 119.600 0.041 0.000 2.492 275 M HA 0.258 4.738 4.480 -0.000 0.000 0.262 275 M C 1.950 178.301 176.300 0.085 0.000 1.090 275 M CA 0.885 56.220 55.300 0.059 0.000 1.110 275 M CB -0.658 31.934 32.600 -0.014 0.000 1.407 275 M HN 0.173 nan 8.290 nan 0.000 0.470 276 K N 0.031 120.477 120.400 0.076 0.000 2.365 276 K HA 0.031 4.351 4.320 -0.000 0.000 0.199 276 K C 1.796 178.473 176.600 0.128 0.000 1.045 276 K CA 0.597 56.947 56.287 0.104 0.000 0.962 276 K CB -0.015 32.522 32.500 0.062 0.000 0.759 276 K HN 0.184 nan 8.250 nan 0.000 0.469 277 S N -0.668 115.093 115.700 0.102 0.000 2.419 277 S HA -0.083 4.387 4.470 -0.000 0.000 0.235 277 S C 1.658 176.320 174.600 0.103 0.000 1.019 277 S CA 1.149 59.398 58.200 0.082 0.000 0.982 277 S CB -0.379 62.851 63.200 0.050 0.000 0.789 277 S HN 0.568 nan 8.310 nan 0.000 0.490 278 G N 1.557 110.421 108.800 0.106 0.000 2.217 278 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.246 278 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.246 278 G C 0.688 175.534 174.900 -0.091 0.000 0.990 278 G CA 0.438 45.555 45.100 0.029 0.000 0.627 278 G HN 0.684 nan 8.290 nan 0.000 0.522 279 E N 0.048 120.179 120.200 -0.116 0.000 2.481 279 E HA 0.048 4.398 4.350 -0.000 0.000 0.195 279 E C 0.264 176.683 176.600 -0.302 0.000 1.047 279 E CA 0.153 56.423 56.400 -0.216 0.000 0.867 279 E CB -0.026 29.510 29.700 -0.273 0.000 0.858 279 E HN 0.591 nan 8.360 nan 0.000 0.513 280 H N 1.204 120.246 119.070 -0.046 0.000 2.476 280 H HA 0.139 4.695 4.556 -0.000 0.000 0.328 280 H C -0.410 174.888 175.328 -0.050 0.000 1.073 280 H CA -0.459 55.570 56.048 -0.032 0.000 1.229 280 H CB 1.831 31.579 29.762 -0.023 0.000 1.432 280 H HN 0.107 nan 8.280 nan 0.000 0.477 281 D N 1.963 122.432 120.400 0.115 0.000 2.162 281 D HA -0.029 4.611 4.640 -0.000 0.000 0.203 281 D C -0.000 176.385 176.300 0.142 0.000 0.967 281 D CA 0.993 55.034 54.000 0.069 0.000 0.840 281 D CB 0.549 41.387 40.800 0.063 0.000 0.972 281 D HN 0.253 nan 8.370 nan 0.000 0.482 282 F N -0.482 119.462 119.950 -0.011 0.000 2.599 282 F HA 0.632 5.159 4.527 -0.000 0.000 0.311 282 F C -0.714 175.043 175.800 -0.073 0.000 1.076 282 F CA -0.672 57.301 58.000 -0.046 0.000 0.937 282 F CB 2.061 41.036 39.000 -0.042 0.000 1.282 282 F HN -0.121 nan 8.300 nan 0.000 0.460 283 G N 2.016 110.392 108.800 -0.706 0.000 2.706 283 G HA2 0.774 4.734 3.960 -0.000 0.000 0.297 283 G HA3 0.774 4.734 3.960 -0.000 0.000 0.297 283 G C -2.356 172.078 174.900 -0.776 0.000 1.403 283 G CA -0.503 44.272 45.100 -0.541 0.000 0.954 283 G HN 1.136 nan 8.290 nan 0.000 0.500 284 A N -0.065 122.461 122.820 -0.489 0.000 2.517 284 A HA 0.959 5.279 4.320 -0.000 0.000 0.297 284 A C -0.256 176.997 177.584 -0.551 0.000 1.050 284 A CA 0.082 51.798 52.037 -0.536 0.000 0.694 284 A CB 1.457 20.177 19.000 -0.468 0.000 1.277 284 A HN 2.200 nan 8.150 nan 0.000 0.400 285 A N 1.134 123.612 122.820 -0.569 0.000 2.322 285 A HA 0.993 5.313 4.320 -0.000 0.000 0.327 285 A C -0.958 176.233 177.584 -0.656 0.000 1.134 285 A CA -0.446 51.307 52.037 -0.473 0.000 0.831 285 A CB 0.645 19.499 19.000 -0.244 0.000 1.288 285 A HN 0.906 nan 8.150 nan 0.000 0.472 286 F N -0.589 119.356 119.950 -0.008 0.000 2.631 286 F HA 0.451 4.978 4.527 0.000 0.000 0.328 286 F C 0.447 176.246 175.800 -0.001 0.000 1.067 286 F CA -0.526 57.482 58.000 0.013 0.000 0.969 286 F CB 1.205 40.223 39.000 0.029 0.000 1.332 286 F HN 0.659 nan 8.300 nan 0.000 0.490 287 D N 0.138 120.670 120.400 0.219 0.000 2.325 287 D HA 0.254 4.894 4.640 -0.000 0.000 0.262 287 D C 1.373 177.727 176.300 0.089 0.000 1.263 287 D CA 0.649 54.712 54.000 0.105 0.000 1.020 287 D CB 0.688 41.551 40.800 0.105 0.000 1.117 287 D HN 0.574 nan 8.370 nan 0.000 0.545 288 G N -0.752 108.055 108.800 0.013 0.000 2.395 288 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.214 288 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.214 288 G C 0.809 175.789 174.900 0.133 0.000 1.177 288 G CA 0.895 46.030 45.100 0.058 0.000 0.794 288 G HN 0.635 nan 8.290 nan 0.000 0.532 289 D N -0.296 120.131 120.400 0.045 0.000 2.325 289 D HA 0.208 4.848 4.640 -0.000 0.000 0.225 289 D C 1.647 177.907 176.300 -0.067 0.000 1.096 289 D CA 0.372 54.371 54.000 -0.002 0.000 0.844 289 D CB -0.525 40.255 40.800 -0.034 0.000 0.925 289 D HN 0.465 nan 8.370 nan 0.000 0.513 290 G N 2.044 110.827 108.800 -0.029 0.000 2.175 290 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.265 290 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.265 290 G C 0.619 175.477 174.900 -0.070 0.000 0.979 290 G CA 0.651 45.701 45.100 -0.083 0.000 0.663 290 G HN 0.564 nan 8.290 nan 0.000 0.533 291 D N -0.556 119.811 120.400 -0.055 0.000 2.339 291 D HA 0.106 4.746 4.640 -0.000 0.000 0.217 291 D C 1.039 177.353 176.300 0.023 0.000 1.050 291 D CA 0.120 54.073 54.000 -0.078 0.000 0.856 291 D CB 0.125 40.810 40.800 -0.193 0.000 0.922 291 D HN 0.546 nan 8.370 nan 0.000 0.518 292 R N 0.474 121.046 120.500 0.121 0.000 2.732 292 R HA 0.474 4.814 4.340 -0.000 0.000 0.278 292 R C -0.231 176.228 176.300 0.265 0.000 0.976 292 R CA -0.810 55.409 56.100 0.198 0.000 0.963 292 R CB 1.455 31.878 30.300 0.205 0.000 1.150 292 R HN 0.146 nan 8.270 nan 0.000 0.478 293 N N 2.580 121.434 118.700 0.257 0.000 2.242 293 N HA 0.280 5.020 4.740 -0.000 0.000 0.292 293 N C -1.242 174.338 175.510 0.117 0.000 1.125 293 N CA -0.761 52.373 53.050 0.140 0.000 0.783 293 N CB 2.567 41.174 38.487 0.201 0.000 1.558 293 N HN 0.445 nan 8.380 nan 0.000 0.472 294 M N 2.618 122.175 119.600 -0.071 0.000 2.134 294 M HA 0.371 4.851 4.480 -0.000 0.000 0.310 294 M C -1.591 174.584 176.300 -0.209 0.000 0.966 294 M CA -0.747 54.566 55.300 0.022 0.000 0.922 294 M CB 0.954 33.559 32.600 0.008 0.000 1.537 294 M HN 0.454 nan 8.290 nan 0.000 0.424 295 I N 6.065 126.470 120.570 -0.274 0.000 2.352 295 I HA 0.336 4.506 4.170 -0.000 0.000 0.290 295 I C -0.560 175.270 176.117 -0.478 0.000 1.036 295 I CA -0.368 60.606 61.300 -0.543 0.000 1.336 295 I CB 0.788 38.339 38.000 -0.749 0.000 1.407 295 I HN 0.715 nan 8.210 nan 0.000 0.497 296 L N 5.157 126.038 121.223 -0.570 0.000 2.323 296 L HA 0.811 5.151 4.340 -0.000 0.000 0.265 296 L C 0.609 177.308 176.870 -0.285 0.000 1.012 296 L CA -0.202 54.458 54.840 -0.300 0.000 0.820 296 L CB 2.022 43.958 42.059 -0.205 0.000 1.334 296 L HN 0.676 nan 8.230 nan 0.000 0.427 297 G N -0.297 108.517 108.800 0.023 0.000 2.820 297 G HA2 0.437 4.397 3.960 -0.000 0.000 0.291 297 G HA3 0.437 4.397 3.960 -0.000 0.000 0.291 297 G C -1.110 173.827 174.900 0.061 0.000 1.323 297 G CA -0.747 44.413 45.100 0.100 0.000 1.055 297 G HN 0.489 nan 8.290 nan 0.000 0.520 298 K N -0.192 120.199 120.400 -0.016 0.000 2.485 298 K HA 0.053 4.373 4.320 -0.000 0.000 0.277 298 K C 0.083 176.622 176.600 -0.101 0.000 0.990 298 K CA 0.113 56.312 56.287 -0.148 0.000 0.994 298 K CB 0.022 32.350 32.500 -0.286 0.000 0.906 298 K HN 0.687 nan 8.250 nan 0.000 0.488 299 H N 1.081 120.197 119.070 0.077 0.000 2.899 299 H HA -0.175 4.381 4.556 -0.000 0.000 0.282 299 H C 0.796 176.181 175.328 0.094 0.000 1.198 299 H CA 1.124 57.218 56.048 0.077 0.000 1.140 299 H CB -1.873 27.932 29.762 0.073 0.000 1.317 299 H HN 1.057 nan 8.280 nan 0.000 0.375 300 G N -0.491 108.401 108.800 0.152 0.000 2.143 300 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.249 300 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.249 300 G C 0.229 175.226 174.900 0.161 0.000 0.981 300 G CA 0.225 45.392 45.100 0.111 0.000 0.665 300 G HN 0.551 nan 8.290 nan 0.000 0.528 301 F N 0.278 120.266 119.950 0.062 0.000 2.589 301 F HA 0.547 5.074 4.527 -0.000 0.000 0.352 301 F C 0.212 176.087 175.800 0.126 0.000 1.168 301 F CA -0.209 57.845 58.000 0.089 0.000 1.353 301 F CB 0.353 39.384 39.000 0.051 0.000 1.116 301 F HN 0.124 nan 8.300 nan 0.000 0.608 302 F N 5.330 124.813 119.950 -0.778 0.000 2.547 302 F HA 0.554 5.081 4.527 -0.000 0.000 0.316 302 F C -1.646 173.806 175.800 -0.581 0.000 1.121 302 F CA -1.174 56.527 58.000 -0.497 0.000 0.911 302 F CB 1.286 40.111 39.000 -0.290 0.000 1.179 302 F HN 0.168 nan 8.300 nan 0.000 0.443 303 V N 6.507 125.873 119.914 -0.914 0.000 2.333 303 V HA 0.265 4.385 4.120 -0.000 0.000 0.274 303 V C -0.199 175.302 176.094 -0.990 0.000 1.028 303 V CA -1.065 60.785 62.300 -0.750 0.000 0.851 303 V CB 0.886 32.370 31.823 -0.564 0.000 1.000 303 V HN 0.674 nan 8.190 nan 0.000 0.456 304 N N 7.270 125.534 118.700 -0.725 0.000 2.454 304 N HA 0.060 4.800 4.740 -0.000 0.000 0.260 304 N C -1.810 173.409 175.510 -0.484 0.000 1.218 304 N CA -0.963 51.727 53.050 -0.599 0.000 0.904 304 N CB 1.048 39.368 38.487 -0.278 0.000 1.065 304 N HN 0.340 nan 8.380 nan 0.000 0.462 305 P HA -0.083 nan 4.420 nan 0.000 0.222 305 P C 0.938 178.026 177.300 -0.352 0.000 1.142 305 P CA 1.153 64.000 63.100 -0.423 0.000 0.788 305 P CB 0.317 31.635 31.700 -0.636 0.000 0.767 306 S N -1.053 114.375 115.700 -0.454 0.000 2.414 306 S HA -0.072 4.398 4.470 -0.000 0.000 0.227 306 S C 1.487 175.931 174.600 -0.260 0.000 1.022 306 S CA 1.008 58.955 58.200 -0.422 0.000 0.958 306 S CB -0.580 62.214 63.200 -0.677 0.000 0.797 306 S HN 0.181 nan 8.310 nan 0.000 0.493 307 D N 0.834 121.110 120.400 -0.206 0.000 2.162 307 D HA 0.065 4.705 4.640 -0.000 0.000 0.203 307 D C 2.081 178.337 176.300 -0.073 0.000 0.967 307 D CA 0.542 54.488 54.000 -0.089 0.000 0.840 307 D CB -0.361 40.443 40.800 0.007 0.000 0.972 307 D HN 0.172 nan 8.370 nan 0.000 0.482 308 S N -0.100 115.576 115.700 -0.039 0.000 2.365 308 S HA -0.157 4.313 4.470 -0.000 0.000 0.225 308 S C 2.143 176.802 174.600 0.099 0.000 1.039 308 S CA 1.593 59.899 58.200 0.177 0.000 1.033 308 S CB -0.162 63.127 63.200 0.147 0.000 0.887 308 S HN 0.185 nan 8.310 nan 0.000 0.447 309 V N 0.751 120.658 119.914 -0.012 0.000 2.515 309 V HA 0.001 4.121 4.120 -0.000 0.000 0.250 309 V C 2.532 178.502 176.094 -0.207 0.000 1.058 309 V CA 1.425 63.687 62.300 -0.064 0.000 1.064 309 V CB -1.653 30.125 31.823 -0.075 0.000 0.675 309 V HN 0.488 nan 8.190 nan 0.000 0.461 310 A N 0.734 123.413 122.820 -0.234 0.000 1.902 310 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 310 A C 2.379 179.700 177.584 -0.439 0.000 1.181 310 A CA 2.121 53.971 52.037 -0.313 0.000 0.623 310 A CB -0.774 18.129 19.000 -0.161 0.000 0.818 310 A HN 0.396 nan 8.150 nan 0.000 0.443 311 V N 0.339 119.939 119.914 -0.524 0.000 2.307 311 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 311 V C 1.551 177.367 176.094 -0.463 0.000 1.045 311 V CA 1.468 63.411 62.300 -0.596 0.000 1.024 311 V CB -0.779 30.759 31.823 -0.475 0.000 0.651 311 V HN 0.530 nan 8.190 nan 0.000 0.449 312 I N 0.585 120.908 120.570 -0.411 0.000 2.546 312 I HA 0.256 4.426 4.170 -0.000 0.000 0.275 312 I C 0.921 176.873 176.117 -0.275 0.000 1.032 312 I CA 0.749 61.839 61.300 -0.351 0.000 2.040 312 I CB -0.540 37.315 38.000 -0.243 0.000 1.464 312 I HN 0.276 nan 8.210 nan 0.000 0.865 313 A N 1.772 124.399 122.820 -0.322 0.000 1.602 313 A HA 0.369 4.689 4.320 -0.000 0.000 0.198 313 A C 1.902 179.328 177.584 -0.262 0.000 1.957 313 A CA 0.587 52.417 52.037 -0.344 0.000 1.550 313 A CB -0.518 18.062 19.000 -0.699 0.000 1.537 313 A HN 0.351 nan 8.150 nan 0.000 0.312 314 A N 0.541 123.235 122.820 -0.211 0.000 2.014 314 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 314 A C 1.108 178.664 177.584 -0.046 0.000 1.163 314 A CA 1.601 53.617 52.037 -0.036 0.000 0.652 314 A CB -0.630 18.455 19.000 0.142 0.000 0.808 314 A HN 0.624 nan 8.150 nan 0.000 0.449 315 N N -0.874 117.736 118.700 -0.149 0.000 2.282 315 N HA 0.308 5.048 4.740 -0.000 0.000 0.240 315 N C 0.941 176.335 175.510 -0.194 0.000 1.182 315 N CA -0.153 52.816 53.050 -0.135 0.000 0.874 315 N CB 0.365 38.750 38.487 -0.170 0.000 1.126 315 N HN 0.427 nan 8.380 nan 0.000 0.516 316 I N 0.178 120.545 120.570 -0.338 0.000 2.399 316 I HA -0.264 3.906 4.170 -0.000 0.000 0.254 316 I C 0.586 176.518 176.117 -0.309 0.000 1.146 316 I CA 1.536 62.577 61.300 -0.432 0.000 1.412 316 I CB 0.054 37.635 38.000 -0.698 0.000 1.076 316 I HN 0.214 nan 8.210 nan 0.000 0.432 317 F N -0.186 119.809 119.950 0.075 0.000 2.802 317 F HA -0.014 4.513 4.527 -0.000 0.000 0.300 317 F C 2.208 178.064 175.800 0.092 0.000 1.168 317 F CA -0.011 58.052 58.000 0.105 0.000 1.433 317 F CB -0.188 38.852 39.000 0.068 0.000 1.115 317 F HN -0.025 nan 8.300 nan 0.000 0.582 318 S N 0.084 115.880 115.700 0.159 0.000 2.562 318 S HA 0.104 4.574 4.470 -0.000 0.000 0.221 318 S C 0.605 175.292 174.600 0.145 0.000 0.975 318 S CA 0.358 58.623 58.200 0.109 0.000 0.918 318 S CB -0.200 63.009 63.200 0.014 0.000 0.772 318 S HN 0.098 nan 8.310 nan 0.000 0.531 319 I N 2.188 122.891 120.570 0.222 0.000 2.328 319 I HA 0.278 4.448 4.170 -0.000 0.000 0.287 319 I C -1.849 174.390 176.117 0.204 0.000 1.012 319 I CA -2.277 59.176 61.300 0.255 0.000 1.195 319 I CB 1.550 39.758 38.000 0.348 0.000 1.350 319 I HN -0.150 nan 8.210 nan 0.000 0.464 320 P HA -0.287 nan 4.420 nan 0.000 0.218 320 P C 1.625 178.911 177.300 -0.023 0.000 1.154 320 P CA 1.532 64.667 63.100 0.058 0.000 0.872 320 P CB -0.034 31.689 31.700 0.039 0.000 0.790 321 Y N -0.752 119.421 120.300 -0.211 0.000 2.181 321 Y HA -0.247 4.303 4.550 -0.000 0.000 0.284 321 Y C 2.041 177.747 175.900 -0.322 0.000 1.179 321 Y CA 1.681 59.561 58.100 -0.367 0.000 1.179 321 Y CB -1.070 36.998 38.460 -0.652 0.000 0.973 321 Y HN -0.102 nan 8.280 nan 0.000 0.519 322 F N -0.400 119.566 119.950 0.027 0.000 2.416 322 F HA -0.123 4.404 4.527 0.000 0.000 0.296 322 F C 2.296 178.171 175.800 0.125 0.000 1.099 322 F CA 0.839 58.874 58.000 0.059 0.000 1.427 322 F CB -0.290 38.792 39.000 0.137 0.000 1.079 322 F HN 0.030 nan 8.300 nan 0.000 0.536 323 Q N 0.132 120.099 119.800 0.279 0.000 2.224 323 Q HA -0.201 4.139 4.340 -0.000 0.000 0.203 323 Q C 1.811 177.821 176.000 0.016 0.000 0.970 323 Q CA 1.217 57.115 55.803 0.158 0.000 0.865 323 Q CB -0.240 28.560 28.738 0.102 0.000 0.922 323 Q HN 0.585 nan 8.270 nan 0.000 0.445 324 Q N -0.419 119.338 119.800 -0.073 0.000 2.259 324 Q HA -0.041 4.299 4.340 -0.000 0.000 0.201 324 Q C 2.145 178.053 176.000 -0.154 0.000 0.938 324 Q CA 1.560 57.288 55.803 -0.126 0.000 0.872 324 Q CB 0.342 28.977 28.738 -0.171 0.000 0.971 324 Q HN 0.454 nan 8.270 nan 0.000 0.494 325 T N -2.537 111.869 114.554 -0.246 0.000 2.976 325 T HA 0.333 4.683 4.350 -0.000 0.000 0.257 325 T C 0.992 175.680 174.700 -0.020 0.000 1.051 325 T CA 0.452 62.438 62.100 -0.190 0.000 1.141 325 T CB 0.252 68.892 68.868 -0.380 0.000 0.881 325 T HN 0.393 nan 8.240 nan 0.000 0.461 326 G N 0.267 109.119 108.800 0.086 0.000 2.663 326 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.686 326 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.686 326 G C -0.664 174.342 174.900 0.177 0.000 1.246 326 G CA -0.625 44.568 45.100 0.154 0.000 0.795 326 G HN 0.722 nan 8.290 nan 0.000 0.627 327 V N 2.387 122.370 119.914 0.117 0.000 2.222 327 V HA 0.184 4.304 4.120 -0.000 0.000 0.253 327 V C 1.854 177.841 176.094 -0.178 0.000 1.210 327 V CA 0.313 62.531 62.300 -0.135 0.000 1.079 327 V CB 0.143 31.751 31.823 -0.358 0.000 1.265 327 V HN 0.749 nan 8.190 nan 0.000 0.494 328 R N 2.327 122.780 120.500 -0.079 0.000 2.241 328 R HA 0.215 4.555 4.340 -0.000 0.000 0.224 328 R C 1.007 177.261 176.300 -0.077 0.000 1.101 328 R CA 0.798 56.872 56.100 -0.043 0.000 0.995 328 R CB 0.160 30.475 30.300 0.025 0.000 0.870 328 R HN 0.734 nan 8.270 nan 0.000 0.463 329 G N -0.736 107.941 108.800 -0.205 0.000 2.404 329 G HA2 0.359 4.319 3.960 -0.000 0.000 0.298 329 G HA3 0.359 4.319 3.960 -0.000 0.000 0.298 329 G C -1.608 173.149 174.900 -0.238 0.000 1.577 329 G CA -0.943 44.062 45.100 -0.158 0.000 0.847 329 G HN -0.060 nan 8.290 nan 0.000 0.598 330 F N 0.456 120.401 119.950 -0.009 0.000 2.483 330 F HA 0.913 5.440 4.527 -0.000 0.000 0.329 330 F C 0.717 176.536 175.800 0.033 0.000 1.064 330 F CA -0.146 57.829 58.000 -0.042 0.000 0.986 330 F CB 2.443 41.383 39.000 -0.099 0.000 1.218 330 F HN 0.874 nan 8.300 nan 0.000 0.484 331 A N 2.203 125.149 122.820 0.211 0.000 2.606 331 A HA 0.938 5.258 4.320 -0.000 0.000 0.293 331 A C -1.265 176.386 177.584 0.111 0.000 1.082 331 A CA -0.947 51.210 52.037 0.200 0.000 0.685 331 A CB 2.187 21.338 19.000 0.251 0.000 1.284 331 A HN 0.890 nan 8.150 nan 0.000 0.408 332 R N -0.422 120.192 120.500 0.191 0.000 2.710 332 R HA 0.724 5.064 4.340 -0.000 0.000 0.270 332 R C -0.526 175.807 176.300 0.054 0.000 1.021 332 R CA -0.124 56.050 56.100 0.123 0.000 0.889 332 R CB 1.211 31.495 30.300 -0.028 0.000 1.243 332 R HN 1.003 nan 8.270 nan 0.000 0.464 333 S N 1.928 117.594 115.700 -0.057 0.000 2.580 333 S HA 0.061 4.531 4.470 -0.000 0.000 0.274 333 S C 1.284 175.725 174.600 -0.265 0.000 1.329 333 S CA -0.829 57.228 58.200 -0.238 0.000 1.036 333 S CB 1.143 64.175 63.200 -0.280 0.000 0.919 333 S HN 0.828 nan 8.310 nan 0.000 0.515 334 M N 1.592 120.956 119.600 -0.393 0.000 2.108 334 M HA -0.072 4.408 4.480 -0.000 0.000 0.257 334 M C -1.240 174.880 176.300 -0.299 0.000 1.071 334 M CA 1.983 57.006 55.300 -0.461 0.000 1.093 334 M CB -2.281 29.747 32.600 -0.953 0.000 1.345 334 M HN 0.489 nan 8.290 nan 0.000 0.403 335 P HA -0.013 nan 4.420 nan 0.000 0.221 335 P C 0.138 177.399 177.300 -0.065 0.000 1.150 335 P CA 0.827 63.742 63.100 -0.309 0.000 0.800 335 P CB -0.408 30.799 31.700 -0.821 0.000 0.787 336 T N 0.789 115.235 114.554 -0.180 0.000 2.930 336 T HA 0.179 4.529 4.350 -0.000 0.000 0.306 336 T C 0.841 175.423 174.700 -0.196 0.000 1.045 336 T CA -0.134 61.795 62.100 -0.285 0.000 1.134 336 T CB 0.176 68.879 68.868 -0.275 0.000 0.961 336 T HN 0.144 nan 8.240 nan 0.000 0.545 337 S N 2.088 117.585 115.700 -0.339 0.000 2.589 337 S HA 0.151 4.621 4.470 -0.000 0.000 0.256 337 S C 1.491 176.003 174.600 -0.146 0.000 1.383 337 S CA -0.178 57.959 58.200 -0.105 0.000 0.983 337 S CB 0.178 63.315 63.200 -0.104 0.000 0.908 337 S HN 0.891 nan 8.310 nan 0.000 0.572 338 G N -0.548 108.165 108.800 -0.145 0.000 3.383 338 G HA2 0.461 4.421 3.960 -0.000 0.000 0.251 338 G HA3 0.461 4.421 3.960 -0.000 0.000 0.251 338 G C 1.066 175.811 174.900 -0.258 0.000 1.203 338 G CA 0.194 45.169 45.100 -0.209 0.000 0.852 338 G HN 1.024 nan 8.290 nan 0.000 0.531 339 A N 0.572 123.262 122.820 -0.217 0.000 1.897 339 A HA 0.054 4.374 4.320 -0.000 0.000 0.215 339 A C 2.178 179.608 177.584 -0.256 0.000 1.181 339 A CA 1.204 53.122 52.037 -0.198 0.000 0.620 339 A CB -0.280 18.657 19.000 -0.105 0.000 0.821 339 A HN 0.448 nan 8.150 nan 0.000 0.443 340 L N 0.723 121.790 121.223 -0.260 0.000 2.079 340 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 340 L C 1.530 178.204 176.870 -0.327 0.000 1.081 340 L CA 2.658 57.297 54.840 -0.336 0.000 0.752 340 L CB -0.964 40.921 42.059 -0.290 0.000 0.896 340 L HN 0.451 nan 8.230 nan 0.000 0.433 341 D N -0.924 119.331 120.400 -0.240 0.000 2.104 341 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 341 D C 2.117 178.308 176.300 -0.182 0.000 0.994 341 D CA 1.144 55.035 54.000 -0.183 0.000 0.830 341 D CB -0.160 40.545 40.800 -0.159 0.000 0.959 341 D HN 0.224 nan 8.370 nan 0.000 0.452 342 R N 0.659 121.021 120.500 -0.230 0.000 2.105 342 R HA -0.071 4.269 4.340 -0.000 0.000 0.239 342 R C 2.319 178.494 176.300 -0.210 0.000 1.135 342 R CA 0.576 56.579 56.100 -0.162 0.000 0.967 342 R CB -1.288 28.916 30.300 -0.161 0.000 0.861 342 R HN 0.259 nan 8.270 nan 0.000 0.442 343 V N 1.296 120.928 119.914 -0.471 0.000 2.379 343 V HA -0.104 4.016 4.120 -0.000 0.000 0.245 343 V C 2.589 178.586 176.094 -0.161 0.000 1.044 343 V CA 1.633 63.669 62.300 -0.439 0.000 1.036 343 V CB -0.968 30.511 31.823 -0.573 0.000 0.664 343 V HN 0.296 nan 8.190 nan 0.000 0.453 344 A N 0.825 123.535 122.820 -0.184 0.000 1.933 344 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 344 A C 2.106 179.718 177.584 0.046 0.000 1.175 344 A CA 2.128 54.175 52.037 0.018 0.000 0.628 344 A CB -0.800 18.209 19.000 0.016 0.000 0.814 344 A HN 0.574 nan 8.150 nan 0.000 0.444 345 N N 0.562 119.269 118.700 0.011 0.000 2.309 345 N HA -0.030 4.710 4.740 -0.000 0.000 0.182 345 N C 1.416 176.977 175.510 0.086 0.000 1.018 345 N CA 1.510 54.586 53.050 0.044 0.000 0.876 345 N CB -0.358 38.152 38.487 0.038 0.000 0.972 345 N HN 0.334 nan 8.380 nan 0.000 0.434 346 A N -0.765 122.129 122.820 0.124 0.000 2.251 346 A HA 0.167 4.487 4.320 -0.000 0.000 0.209 346 A C 0.743 178.409 177.584 0.136 0.000 1.187 346 A CA 0.767 52.898 52.037 0.157 0.000 0.823 346 A CB -0.432 18.728 19.000 0.267 0.000 0.846 346 A HN 0.471 nan 8.150 nan 0.000 0.486 347 T N -4.824 109.807 114.554 0.128 0.000 2.916 347 T HA 0.402 4.752 4.350 -0.000 0.000 0.292 347 T C 0.163 174.921 174.700 0.098 0.000 1.064 347 T CA -0.799 61.378 62.100 0.128 0.000 1.011 347 T CB 1.247 70.222 68.868 0.178 0.000 1.152 347 T HN -0.013 nan 8.240 nan 0.000 0.510 348 K N 0.718 121.166 120.400 0.080 0.000 2.665 348 K HA 0.099 4.419 4.320 -0.000 0.000 0.196 348 K C 0.174 176.793 176.600 0.032 0.000 1.021 348 K CA 0.168 56.485 56.287 0.050 0.000 1.066 348 K CB -0.439 32.085 32.500 0.040 0.000 0.849 348 K HN 0.514 nan 8.250 nan 0.000 0.500 349 I N 1.106 121.705 120.570 0.048 0.000 2.385 349 I HA 0.162 4.332 4.170 -0.000 0.000 0.294 349 I C 0.763 176.868 176.117 -0.021 0.000 0.988 349 I CA -1.121 60.174 61.300 -0.009 0.000 1.265 349 I CB 0.778 38.748 38.000 -0.050 0.000 1.388 349 I HN -0.082 nan 8.210 nan 0.000 0.480 350 A N 6.518 129.273 122.820 -0.107 0.000 2.425 350 A HA 0.479 4.798 4.320 -0.000 0.000 0.242 350 A C -0.487 176.900 177.584 -0.329 0.000 1.077 350 A CA -0.124 51.769 52.037 -0.240 0.000 0.781 350 A CB 0.486 19.273 19.000 -0.354 0.000 1.020 350 A HN 0.638 nan 8.150 nan 0.000 0.494 351 L N 1.034 122.005 121.223 -0.419 0.000 2.381 351 L HA 0.758 5.098 4.340 -0.000 0.000 0.268 351 L C -1.756 174.880 176.870 -0.390 0.000 0.997 351 L CA -0.374 54.297 54.840 -0.283 0.000 0.818 351 L CB 1.672 43.681 42.059 -0.084 0.000 1.310 351 L HN 0.598 nan 8.230 nan 0.000 0.416 352 Y N 2.048 122.420 120.300 0.120 0.000 2.391 352 Y HA 0.480 5.030 4.550 -0.000 0.000 0.341 352 Y C -0.392 175.593 175.900 0.141 0.000 0.965 352 Y CA -0.723 57.467 58.100 0.149 0.000 1.067 352 Y CB 1.808 40.379 38.460 0.185 0.000 1.199 352 Y HN 0.578 nan 8.280 nan 0.000 0.450 353 E N 2.760 123.146 120.200 0.310 0.000 2.055 353 E HA 0.349 4.699 4.350 -0.000 0.000 0.274 353 E C -0.735 175.977 176.600 0.186 0.000 0.949 353 E CA -0.469 56.025 56.400 0.157 0.000 0.775 353 E CB 0.669 30.418 29.700 0.080 0.000 1.097 353 E HN 0.728 nan 8.360 nan 0.000 0.404 354 T N 1.695 116.228 114.554 -0.035 0.000 2.944 354 T HA 0.560 4.910 4.350 -0.000 0.000 0.284 354 T C -2.438 172.018 174.700 -0.406 0.000 1.010 354 T CA -2.222 59.655 62.100 -0.371 0.000 1.025 354 T CB 1.481 70.023 68.868 -0.543 0.000 1.079 354 T HN 0.212 nan 8.240 nan 0.000 0.516 355 P HA 0.144 nan 4.420 nan 0.000 0.272 355 P C 0.277 177.430 177.300 -0.245 0.000 1.223 355 P CA -0.157 62.873 63.100 -0.115 0.000 0.784 355 P CB 0.083 31.775 31.700 -0.013 0.000 0.923 356 T N 0.231 114.685 114.554 -0.167 0.000 2.829 356 T HA 0.428 4.778 4.350 -0.000 0.000 0.293 356 T C 0.321 174.949 174.700 -0.120 0.000 0.970 356 T CA 0.654 62.649 62.100 -0.175 0.000 1.168 356 T CB -1.467 67.332 68.868 -0.115 0.000 0.911 356 T HN 0.812 nan 8.240 nan 0.000 0.535 357 G N 3.644 112.330 108.800 -0.190 0.000 2.277 357 G HA2 0.061 4.021 3.960 -0.000 0.000 0.272 357 G HA3 0.061 4.021 3.960 -0.000 0.000 0.272 357 G C -0.341 174.410 174.900 -0.249 0.000 1.692 357 G CA -0.755 44.288 45.100 -0.096 0.000 0.926 357 G HN 0.676 nan 8.290 nan 0.000 0.720 358 W N 1.906 123.126 121.300 -0.133 0.000 2.937 358 W HA 0.097 4.757 4.660 0.000 0.000 0.245 358 W C 2.705 179.166 176.519 -0.097 0.000 1.306 358 W CA 0.959 58.277 57.345 -0.046 0.000 1.470 358 W CB 0.456 29.956 29.460 0.068 0.000 1.132 358 W HN 0.741 nan 8.180 nan 0.000 0.675 359 K N -1.080 119.287 120.400 -0.054 0.000 2.211 359 K HA -0.126 4.194 4.320 -0.000 0.000 0.203 359 K C 1.092 177.396 176.600 -0.494 0.000 1.050 359 K CA 1.215 57.339 56.287 -0.273 0.000 0.945 359 K CB -0.854 31.401 32.500 -0.410 0.000 0.732 359 K HN 0.117 nan 8.250 nan 0.000 0.451 360 F N -0.243 119.622 119.950 -0.142 0.000 2.695 360 F HA 0.250 4.777 4.527 0.000 0.000 0.303 360 F C 1.196 176.925 175.800 -0.118 0.000 1.091 360 F CA -0.763 57.155 58.000 -0.138 0.000 1.300 360 F CB 0.110 38.980 39.000 -0.218 0.000 1.071 360 F HN -0.151 nan 8.300 nan 0.000 0.578 361 F N 0.283 120.186 119.950 -0.078 0.000 2.206 361 F HA 0.064 4.591 4.527 -0.000 0.000 0.298 361 F C 2.559 178.329 175.800 -0.049 0.000 1.090 361 F CA 1.026 58.930 58.000 -0.160 0.000 1.323 361 F CB -1.277 37.459 39.000 -0.440 0.000 1.028 361 F HN 0.011 nan 8.300 nan 0.000 0.492 362 G N 0.254 109.171 108.800 0.194 0.000 2.469 362 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.220 362 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.220 362 G C 1.667 176.629 174.900 0.103 0.000 1.136 362 G CA 1.094 46.270 45.100 0.127 0.000 0.759 362 G HN 0.334 nan 8.290 nan 0.000 0.562 363 N N 0.427 119.207 118.700 0.133 0.000 2.166 363 N HA -0.056 4.684 4.740 -0.000 0.000 0.186 363 N C 2.242 177.796 175.510 0.074 0.000 1.019 363 N CA 0.916 54.041 53.050 0.125 0.000 0.856 363 N CB -0.198 38.413 38.487 0.207 0.000 0.993 363 N HN 0.307 nan 8.380 nan 0.000 0.426 364 L N 0.638 121.896 121.223 0.059 0.000 2.141 364 L HA -0.047 4.293 4.340 -0.000 0.000 0.209 364 L C 2.458 179.336 176.870 0.013 0.000 1.094 364 L CA 0.744 55.567 54.840 -0.028 0.000 0.763 364 L CB -0.227 41.780 42.059 -0.086 0.000 0.908 364 L HN 0.157 nan 8.230 nan 0.000 0.437 365 M N -0.631 118.997 119.600 0.046 0.000 2.123 365 M HA -0.165 4.315 4.480 -0.000 0.000 0.263 365 M C 1.737 178.065 176.300 0.047 0.000 1.069 365 M CA 1.632 56.962 55.300 0.050 0.000 1.133 365 M CB -0.460 32.174 32.600 0.056 0.000 1.356 365 M HN 0.117 nan 8.290 nan 0.000 0.415 366 D N 1.108 121.535 120.400 0.045 0.000 2.123 366 D HA -0.105 4.535 4.640 -0.000 0.000 0.196 366 D C 1.455 177.777 176.300 0.036 0.000 0.992 366 D CA 1.484 55.507 54.000 0.038 0.000 0.833 366 D CB -0.128 40.694 40.800 0.037 0.000 0.954 366 D HN 0.322 nan 8.370 nan 0.000 0.455 367 A N -0.213 122.628 122.820 0.035 0.000 2.268 367 A HA 0.223 4.543 4.320 -0.000 0.000 0.221 367 A C 0.585 178.190 177.584 0.035 0.000 1.287 367 A CA 0.310 52.365 52.037 0.031 0.000 0.902 367 A CB -0.412 18.603 19.000 0.024 0.000 0.877 367 A HN 0.017 nan 8.150 nan 0.000 0.487 368 S N -1.341 114.384 115.700 0.042 0.000 3.641 368 S HA -0.176 4.294 4.470 -0.000 0.000 0.346 368 S C 0.665 175.301 174.600 0.060 0.000 1.074 368 S CA 1.614 59.844 58.200 0.049 0.000 1.026 368 S CB -1.245 61.981 63.200 0.042 0.000 0.908 368 S HN 0.813 nan 8.310 nan 0.000 0.479 369 K N -0.618 119.822 120.400 0.067 0.000 2.477 369 K HA 0.372 4.692 4.320 -0.000 0.000 0.208 369 K C -0.509 176.193 176.600 0.169 0.000 1.117 369 K CA -0.170 56.188 56.287 0.119 0.000 1.039 369 K CB 0.601 33.183 32.500 0.137 0.000 0.937 369 K HN 0.291 nan 8.250 nan 0.000 0.570 370 L N -0.337 120.945 121.223 0.098 0.000 2.409 370 L HA 0.400 4.740 4.340 -0.000 0.000 0.272 370 L C -0.203 176.699 176.870 0.054 0.000 0.980 370 L CA 0.201 55.093 54.840 0.086 0.000 0.826 370 L CB 2.206 44.297 42.059 0.054 0.000 1.268 370 L HN -0.112 nan 8.230 nan 0.000 0.407 371 S N 3.765 119.480 115.700 0.025 0.000 2.741 371 S HA 0.385 4.855 4.470 -0.000 0.000 0.245 371 S C -0.249 174.445 174.600 0.157 0.000 1.083 371 S CA 0.020 58.301 58.200 0.136 0.000 0.873 371 S CB 0.454 63.736 63.200 0.136 0.000 0.814 371 S HN 0.455 nan 8.310 nan 0.000 0.476 372 L N 2.651 123.903 121.223 0.049 0.000 2.376 372 L HA 0.655 4.995 4.340 -0.000 0.000 0.275 372 L C -0.980 175.906 176.870 0.027 0.000 0.987 372 L CA -0.349 54.562 54.840 0.118 0.000 0.828 372 L CB 1.162 43.349 42.059 0.214 0.000 1.249 372 L HN 0.508 nan 8.230 nan 0.000 0.409 373 C N 1.608 120.814 119.300 -0.157 0.000 3.285 373 C HA 1.092 5.552 4.460 -0.000 0.000 0.320 373 C C 0.082 174.911 174.990 -0.267 0.000 1.411 373 C CA -0.222 58.511 59.018 -0.474 0.000 1.429 373 C CB 1.057 27.919 27.740 -1.463 0.000 1.812 373 C HN 1.185 nan 8.230 nan 0.000 0.454 374 G N 0.258 108.927 108.800 -0.219 0.000 2.325 374 G HA2 0.602 4.562 3.960 -0.000 0.000 0.297 374 G HA3 0.602 4.562 3.960 -0.000 0.000 0.297 374 G C -2.065 172.922 174.900 0.146 0.000 1.448 374 G CA -0.504 44.684 45.100 0.148 0.000 0.838 374 G HN 1.082 nan 8.290 nan 0.000 0.579 375 E N -0.923 119.368 120.200 0.151 0.000 2.445 375 E HA 0.493 4.843 4.350 -0.000 0.000 0.273 375 E C 0.331 176.847 176.600 -0.140 0.000 0.961 375 E CA -0.690 55.709 56.400 -0.002 0.000 0.807 375 E CB 1.729 31.442 29.700 0.021 0.000 1.362 375 E HN 0.490 nan 8.360 nan 0.000 0.453 376 E N 0.172 120.219 120.200 -0.254 0.000 2.265 376 E HA -0.142 4.208 4.350 -0.000 0.000 0.196 376 E C 0.972 177.346 176.600 -0.376 0.000 0.996 376 E CA 1.266 57.426 56.400 -0.400 0.000 0.832 376 E CB -0.352 29.124 29.700 -0.373 0.000 0.756 376 E HN 0.369 nan 8.360 nan 0.000 0.491 377 S N 0.503 116.134 115.700 -0.115 0.000 3.033 377 S HA 0.109 4.579 4.470 -0.000 0.000 0.258 377 S C -0.322 174.396 174.600 0.197 0.000 1.207 377 S CA -0.378 57.881 58.200 0.098 0.000 1.248 377 S CB -1.628 61.665 63.200 0.154 0.000 0.932 377 S HN 0.300 nan 8.310 nan 0.000 0.472 378 F N -0.879 119.119 119.950 0.081 0.000 3.090 378 F HA -0.163 4.364 4.527 -0.000 0.000 0.282 378 F C 0.950 176.825 175.800 0.126 0.000 0.923 378 F CA 0.529 58.577 58.000 0.080 0.000 0.977 378 F CB -1.798 37.242 39.000 0.068 0.000 0.954 378 F HN 0.562 nan 8.300 nan 0.000 0.695 379 G N 0.758 109.682 108.800 0.206 0.000 3.749 379 G HA2 0.521 4.481 3.960 -0.000 0.000 0.339 379 G HA3 0.521 4.481 3.960 -0.000 0.000 0.339 379 G C -0.234 174.923 174.900 0.427 0.000 1.513 379 G CA -0.319 44.967 45.100 0.311 0.000 1.035 379 G HN 0.156 nan 8.290 nan 0.000 0.480 380 T N 0.268 115.040 114.554 0.363 0.000 2.882 380 T HA 0.766 5.116 4.350 -0.000 0.000 0.287 380 T C 0.594 175.539 174.700 0.408 0.000 0.992 380 T CA -0.086 62.273 62.100 0.432 0.000 1.076 380 T CB 2.281 71.436 68.868 0.479 0.000 0.961 380 T HN 0.690 nan 8.240 nan 0.000 0.490 381 G N 0.487 109.465 108.800 0.297 0.000 2.682 381 G HA2 0.680 4.640 3.960 -0.000 0.000 0.303 381 G HA3 0.680 4.640 3.960 -0.000 0.000 0.303 381 G C -1.325 173.373 174.900 -0.335 0.000 1.341 381 G CA -0.638 44.385 45.100 -0.129 0.000 0.784 381 G HN 0.756 nan 8.290 nan 0.000 0.497 382 S N -1.534 113.947 115.700 -0.364 0.000 2.752 382 S HA 0.423 4.893 4.470 -0.000 0.000 0.284 382 S C -0.154 174.437 174.600 -0.015 0.000 1.189 382 S CA 0.095 58.205 58.200 -0.150 0.000 0.835 382 S CB 1.704 64.771 63.200 -0.222 0.000 1.192 382 S HN 0.841 nan 8.310 nan 0.000 0.506 383 D N 0.508 120.945 120.400 0.062 0.000 2.349 383 D HA -0.103 4.537 4.640 -0.000 0.000 0.224 383 D C 1.365 177.628 176.300 -0.061 0.000 1.029 383 D CA 0.553 54.570 54.000 0.029 0.000 0.879 383 D CB -0.517 40.342 40.800 0.099 0.000 0.906 383 D HN 0.775 nan 8.370 nan 0.000 0.528 384 H N 1.498 120.330 119.070 -0.398 0.000 2.431 384 H HA -0.118 4.438 4.556 -0.000 0.000 0.297 384 H C 1.257 176.427 175.328 -0.263 0.000 1.115 384 H CA 1.349 57.073 56.048 -0.540 0.000 1.277 384 H CB -0.594 28.650 29.762 -0.863 0.000 1.372 384 H HN 0.445 nan 8.280 nan 0.000 0.516 385 I N -3.716 116.434 120.570 -0.699 0.000 3.631 385 I HA 0.474 4.644 4.170 -0.000 0.000 0.294 385 I C 0.568 176.516 176.117 -0.281 0.000 1.154 385 I CA -1.304 59.708 61.300 -0.480 0.000 1.092 385 I CB 1.634 39.274 38.000 -0.600 0.000 1.367 385 I HN -0.289 nan 8.210 nan 0.000 0.470 386 R N 0.245 120.635 120.500 -0.184 0.000 2.508 386 R HA 0.437 4.777 4.340 -0.000 0.000 0.300 386 R C -0.286 176.012 176.300 -0.004 0.000 0.970 386 R CA -0.045 56.033 56.100 -0.036 0.000 1.102 386 R CB 0.456 30.748 30.300 -0.014 0.000 1.246 386 R HN 0.587 nan 8.270 nan 0.000 0.539 387 E N 1.416 121.495 120.200 -0.202 0.000 2.243 387 E HA 0.263 4.613 4.350 -0.000 0.000 0.260 387 E C -0.317 175.815 176.600 -0.779 0.000 0.985 387 E CA -0.562 55.621 56.400 -0.362 0.000 0.858 387 E CB 1.751 31.272 29.700 -0.299 0.000 1.210 387 E HN 0.016 nan 8.360 nan 0.000 0.411 388 K N 0.506 120.207 120.400 -1.165 0.000 2.168 388 K HA 0.369 4.689 4.320 -0.000 0.000 0.258 388 K C -0.330 175.998 176.600 -0.454 0.000 1.010 388 K CA -0.498 55.057 56.287 -1.220 0.000 0.929 388 K CB 0.535 32.265 32.500 -1.283 0.000 0.998 388 K HN 0.140 nan 8.250 nan 0.000 0.479 389 D N 0.276 120.583 120.400 -0.155 0.000 2.478 389 D HA 0.203 4.843 4.640 -0.000 0.000 0.240 389 D C 0.551 177.044 176.300 0.321 0.000 1.364 389 D CA -0.484 53.579 54.000 0.105 0.000 0.987 389 D CB 1.451 42.415 40.800 0.273 0.000 1.328 389 D HN 0.655 nan 8.370 nan 0.000 0.584 390 G N 2.326 111.281 108.800 0.259 0.000 2.404 390 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.215 390 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.215 390 G C 1.230 176.454 174.900 0.541 0.000 1.174 390 G CA 0.376 45.733 45.100 0.427 0.000 0.780 390 G HN 0.444 nan 8.290 nan 0.000 0.537 391 L N -0.411 121.031 121.223 0.366 0.000 2.156 391 L HA 0.160 4.500 4.340 -0.000 0.000 0.208 391 L C 2.332 179.430 176.870 0.379 0.000 1.095 391 L CA 1.053 56.096 54.840 0.338 0.000 0.770 391 L CB -0.781 41.386 42.059 0.179 0.000 0.914 391 L HN 0.518 nan 8.230 nan 0.000 0.439 392 W N 0.300 121.797 121.300 0.328 0.000 2.335 392 W HA -0.230 4.430 4.660 -0.000 0.000 0.311 392 W C 2.278 178.992 176.519 0.326 0.000 1.213 392 W CA 2.484 60.047 57.345 0.364 0.000 1.274 392 W CB -0.316 29.304 29.460 0.267 0.000 1.148 392 W HN 0.184 nan 8.180 nan 0.000 0.498 393 A N 0.010 123.091 122.820 0.435 0.000 1.902 393 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 393 A C 2.024 179.708 177.584 0.166 0.000 1.181 393 A CA 2.232 54.390 52.037 0.201 0.000 0.623 393 A CB -1.222 18.067 19.000 0.483 0.000 0.818 393 A HN 0.224 nan 8.150 nan 0.000 0.443 394 V N 0.338 120.401 119.914 0.248 0.000 2.261 394 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 394 V C 2.524 178.600 176.094 -0.030 0.000 1.047 394 V CA 2.051 64.501 62.300 0.250 0.000 1.015 394 V CB -0.765 31.277 31.823 0.364 0.000 0.642 394 V HN 0.588 nan 8.190 nan 0.000 0.446 395 L N -0.007 121.060 121.223 -0.260 0.000 2.275 395 L HA -0.092 4.248 4.340 -0.000 0.000 0.215 395 L C 2.631 178.887 176.870 -1.023 0.000 1.119 395 L CA 1.156 55.550 54.840 -0.743 0.000 0.790 395 L CB -0.812 40.607 42.059 -1.066 0.000 0.919 395 L HN 0.365 nan 8.230 nan 0.000 0.443 396 A N -0.522 121.846 122.820 -0.753 0.000 1.930 396 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 396 A C 1.899 179.223 177.584 -0.434 0.000 1.175 396 A CA 1.055 52.773 52.037 -0.533 0.000 0.627 396 A CB -0.724 17.860 19.000 -0.694 0.000 0.815 396 A HN 0.489 nan 8.150 nan 0.000 0.443 397 W N -0.037 121.071 121.300 -0.320 0.000 2.402 397 W HA 0.016 4.676 4.660 -0.000 0.000 0.286 397 W C 1.939 178.215 176.519 -0.404 0.000 1.221 397 W CA 1.071 58.260 57.345 -0.261 0.000 1.257 397 W CB -0.210 29.195 29.460 -0.092 0.000 1.120 397 W HN 0.228 nan 8.180 nan 0.000 0.551 398 L N -0.801 120.215 121.223 -0.344 0.000 2.156 398 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 398 L C 2.419 179.110 176.870 -0.299 0.000 1.095 398 L CA 1.061 55.661 54.840 -0.399 0.000 0.770 398 L CB -0.904 40.890 42.059 -0.443 0.000 0.914 398 L HN -0.200 nan 8.230 nan 0.000 0.439 399 S N 0.115 115.628 115.700 -0.311 0.000 2.368 399 S HA -0.126 4.344 4.470 -0.000 0.000 0.225 399 S C 1.986 176.493 174.600 -0.156 0.000 1.030 399 S CA 1.240 59.328 58.200 -0.186 0.000 0.999 399 S CB -0.222 62.920 63.200 -0.096 0.000 0.844 399 S HN 0.277 nan 8.310 nan 0.000 0.459 400 I N 1.253 121.687 120.570 -0.226 0.000 2.179 400 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 400 I C 2.060 178.082 176.117 -0.159 0.000 1.088 400 I CA 1.098 62.259 61.300 -0.231 0.000 1.357 400 I CB -0.330 37.410 38.000 -0.432 0.000 1.051 400 I HN 0.232 nan 8.210 nan 0.000 0.409 401 L N 0.372 121.509 121.223 -0.143 0.000 2.046 401 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 401 L C 2.807 179.625 176.870 -0.087 0.000 1.077 401 L CA 1.460 56.247 54.840 -0.088 0.000 0.747 401 L CB -0.741 41.261 42.059 -0.095 0.000 0.896 401 L HN 0.241 nan 8.230 nan 0.000 0.432 402 A N -0.014 122.742 122.820 -0.107 0.000 1.930 402 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 402 A C 2.447 179.999 177.584 -0.054 0.000 1.175 402 A CA 2.209 54.197 52.037 -0.081 0.000 0.627 402 A CB -0.889 18.057 19.000 -0.091 0.000 0.815 402 A HN 0.541 nan 8.150 nan 0.000 0.443 403 T N -2.469 112.053 114.554 -0.052 0.000 2.809 403 T HA -0.055 4.295 4.350 -0.000 0.000 0.260 403 T C 2.022 176.705 174.700 -0.027 0.000 1.039 403 T CA 1.070 63.153 62.100 -0.029 0.000 1.141 403 T CB -0.296 68.562 68.868 -0.016 0.000 0.869 403 T HN 0.463 nan 8.240 nan 0.000 0.437 404 R N 1.250 121.725 120.500 -0.041 0.000 2.075 404 R HA 0.129 4.469 4.340 -0.000 0.000 0.232 404 R C 1.108 177.392 176.300 -0.027 0.000 1.126 404 R CA 1.076 57.156 56.100 -0.033 0.000 0.963 404 R CB -0.196 30.077 30.300 -0.046 0.000 0.858 404 R HN 0.381 nan 8.270 nan 0.000 0.435 405 K N -0.855 119.525 120.400 -0.033 0.000 3.470 405 K HA -0.189 4.131 4.320 -0.000 0.000 0.305 405 K C -0.452 176.133 176.600 -0.025 0.000 1.363 405 K CA 0.574 56.844 56.287 -0.028 0.000 0.927 405 K CB -0.900 31.587 32.500 -0.022 0.000 1.355 405 K HN 0.180 nan 8.250 nan 0.000 0.466 406 Q N 0.317 120.102 119.800 -0.026 0.000 2.180 406 Q HA 0.422 4.762 4.340 -0.000 0.000 0.241 406 Q C 0.161 176.147 176.000 -0.024 0.000 0.970 406 Q CA -0.191 55.596 55.803 -0.026 0.000 0.919 406 Q CB 1.489 30.209 28.738 -0.030 0.000 1.222 406 Q HN 0.264 nan 8.270 nan 0.000 0.482 407 S N -0.654 115.023 115.700 -0.039 0.000 2.600 407 S HA 0.093 4.563 4.470 -0.000 0.000 0.265 407 S C 0.980 175.553 174.600 -0.045 0.000 1.325 407 S CA -0.654 57.519 58.200 -0.044 0.000 1.002 407 S CB 0.681 63.831 63.200 -0.083 0.000 0.921 407 S HN 0.450 nan 8.310 nan 0.000 0.554 408 V N 1.509 121.412 119.914 -0.019 0.000 2.343 408 V HA -0.142 3.978 4.120 -0.000 0.000 0.247 408 V C 2.787 178.738 176.094 -0.238 0.000 1.051 408 V CA 2.350 64.660 62.300 0.017 0.000 1.036 408 V CB -1.211 30.659 31.823 0.078 0.000 0.654 408 V HN 1.019 nan 8.190 nan 0.000 0.451 409 E N -0.060 119.805 120.200 -0.558 0.000 2.058 409 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 409 E C 1.888 178.176 176.600 -0.520 0.000 0.997 409 E CA 1.763 57.566 56.400 -0.995 0.000 0.801 409 E CB -0.072 29.111 29.700 -0.861 0.000 0.746 409 E HN 0.607 nan 8.360 nan 0.000 0.450 410 D N 0.058 120.283 120.400 -0.292 0.000 2.178 410 D HA -0.122 4.518 4.640 -0.000 0.000 0.202 410 D C 1.880 178.080 176.300 -0.166 0.000 0.974 410 D CA 0.725 54.614 54.000 -0.185 0.000 0.841 410 D CB -0.089 40.649 40.800 -0.104 0.000 0.953 410 D HN 0.264 nan 8.370 nan 0.000 0.478 411 I N 0.149 120.641 120.570 -0.130 0.000 2.163 411 I HA -0.242 3.928 4.170 -0.000 0.000 0.243 411 I C 2.311 178.343 176.117 -0.142 0.000 1.085 411 I CA 0.845 62.097 61.300 -0.080 0.000 1.347 411 I CB -0.130 37.872 38.000 0.003 0.000 1.044 411 I HN 0.031 nan 8.210 nan 0.000 0.408 412 L N 0.211 121.274 121.223 -0.267 0.000 2.156 412 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 412 L C 2.538 178.814 176.870 -0.991 0.000 1.095 412 L CA 1.175 55.672 54.840 -0.573 0.000 0.770 412 L CB -0.281 41.425 42.059 -0.587 0.000 0.914 412 L HN 0.156 nan 8.230 nan 0.000 0.439 413 K N -0.354 119.597 120.400 -0.749 0.000 2.057 413 K HA -0.227 4.093 4.320 -0.000 0.000 0.207 413 K C 1.777 178.158 176.600 -0.365 0.000 1.049 413 K CA 1.582 57.543 56.287 -0.544 0.000 0.931 413 K CB -0.095 32.243 32.500 -0.269 0.000 0.714 413 K HN 0.181 nan 8.250 nan 0.000 0.440 414 D N 0.115 120.406 120.400 -0.181 0.000 2.117 414 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 414 D C 1.824 178.145 176.300 0.034 0.000 0.982 414 D CA 1.304 55.293 54.000 -0.018 0.000 0.828 414 D CB -0.036 40.766 40.800 0.003 0.000 0.967 414 D HN 0.240 nan 8.370 nan 0.000 0.464 415 H N -0.940 118.079 119.070 -0.085 0.000 2.387 415 H HA -0.124 4.432 4.556 -0.000 0.000 0.299 415 H C 1.774 177.251 175.328 0.247 0.000 1.090 415 H CA 1.988 58.090 56.048 0.089 0.000 1.332 415 H CB -0.174 29.583 29.762 -0.009 0.000 1.386 415 H HN 0.194 nan 8.280 nan 0.000 0.516 416 W N 0.058 121.424 121.300 0.111 0.000 2.381 416 W HA -0.092 4.568 4.660 -0.000 0.000 0.301 416 W C 2.181 178.729 176.519 0.049 0.000 1.205 416 W CA 1.053 58.421 57.345 0.038 0.000 1.285 416 W CB -1.026 28.400 29.460 -0.057 0.000 1.133 416 W HN 0.437 nan 8.180 nan 0.000 0.521 417 H N -0.381 118.847 119.070 0.263 0.000 2.495 417 H HA -0.013 4.543 4.556 -0.000 0.000 0.287 417 H C 1.908 177.244 175.328 0.013 0.000 1.033 417 H CA 1.045 57.172 56.048 0.131 0.000 1.307 417 H CB -0.218 29.600 29.762 0.093 0.000 1.401 417 H HN 0.178 nan 8.280 nan 0.000 0.555 418 K N -0.705 119.716 120.400 0.036 0.000 2.314 418 K HA 0.009 4.329 4.320 -0.000 0.000 0.198 418 K C 0.535 176.770 176.600 -0.608 0.000 1.045 418 K CA 0.586 56.699 56.287 -0.290 0.000 0.988 418 K CB 0.399 32.659 32.500 -0.400 0.000 0.783 418 K HN 0.093 nan 8.250 nan 0.000 0.484 419 F N -1.269 118.675 119.950 -0.009 0.000 2.671 419 F HA 0.300 4.827 4.527 -0.000 0.000 0.303 419 F C 0.675 176.565 175.800 0.149 0.000 0.935 419 F CA 0.209 58.223 58.000 0.022 0.000 1.136 419 F CB 1.468 40.409 39.000 -0.099 0.000 0.929 419 F HN 0.018 nan 8.300 nan 0.000 0.659 420 G N 1.000 110.020 108.800 0.366 0.000 2.392 420 G HA2 0.117 4.077 3.960 -0.000 0.000 0.677 420 G HA3 0.117 4.077 3.960 -0.000 0.000 0.677 420 G C -1.567 173.543 174.900 0.349 0.000 1.334 420 G CA -1.217 44.074 45.100 0.319 0.000 0.961 420 G HN 0.243 nan 8.290 nan 0.000 0.616 421 R N 0.374 120.984 120.500 0.183 0.000 2.393 421 R HA 0.529 4.869 4.340 -0.000 0.000 0.310 421 R C -0.478 175.853 176.300 0.051 0.000 0.968 421 R CA -0.800 55.237 56.100 -0.104 0.000 0.867 421 R CB 0.696 30.590 30.300 -0.676 0.000 1.124 421 R HN 0.480 nan 8.270 nan 0.000 0.450 422 N N 5.219 123.886 118.700 -0.055 0.000 2.609 422 N HA 0.148 4.888 4.740 -0.000 0.000 0.234 422 N C -1.101 174.378 175.510 -0.052 0.000 1.001 422 N CA -0.187 52.876 53.050 0.021 0.000 0.926 422 N CB 0.749 39.208 38.487 -0.047 0.000 1.130 422 N HN 0.311 nan 8.380 nan 0.000 0.510 423 F N 1.724 121.683 119.950 0.014 0.000 2.450 423 F HA 0.344 4.871 4.527 -0.000 0.000 0.339 423 F C 0.397 176.288 175.800 0.152 0.000 1.146 423 F CA 0.025 58.041 58.000 0.027 0.000 1.267 423 F CB 0.488 39.475 39.000 -0.021 0.000 1.178 423 F HN 0.309 nan 8.300 nan 0.000 0.585 424 F N 0.661 120.704 119.950 0.156 0.000 2.688 424 F HA 0.498 5.025 4.527 -0.000 0.000 0.308 424 F C -0.825 175.048 175.800 0.122 0.000 1.117 424 F CA -0.360 57.698 58.000 0.097 0.000 0.976 424 F CB 1.905 40.926 39.000 0.036 0.000 1.291 424 F HN 0.379 nan 8.300 nan 0.000 0.439 425 T N 4.459 118.908 114.554 -0.176 0.000 3.097 425 T HA 0.325 4.675 4.350 -0.000 0.000 0.332 425 T C -1.555 173.040 174.700 -0.176 0.000 1.269 425 T CA -0.665 61.437 62.100 0.003 0.000 1.076 425 T CB 1.339 70.260 68.868 0.090 0.000 1.209 425 T HN 0.720 nan 8.240 nan 0.000 0.474 426 R N 3.975 124.494 120.500 0.031 0.000 3.785 426 R HA 0.197 4.537 4.340 -0.000 0.000 0.255 426 R C -1.153 175.132 176.300 -0.026 0.000 1.485 426 R CA -0.308 55.791 56.100 -0.002 0.000 1.555 426 R CB -0.217 30.203 30.300 0.200 0.000 1.362 426 R HN 0.699 nan 8.270 nan 0.000 0.702 427 Y N 2.916 123.105 120.300 -0.186 0.000 2.650 427 Y HA 0.076 4.626 4.550 -0.000 0.000 0.343 427 Y C -0.188 175.563 175.900 -0.248 0.000 1.078 427 Y CA -0.784 57.195 58.100 -0.202 0.000 1.356 427 Y CB 0.298 38.653 38.460 -0.176 0.000 1.204 427 Y HN 0.402 nan 8.280 nan 0.000 0.508 428 D N 2.751 123.116 120.400 -0.057 0.000 2.411 428 D HA 0.040 4.680 4.640 -0.000 0.000 0.251 428 D C -0.842 175.288 176.300 -0.282 0.000 1.201 428 D CA 0.007 53.950 54.000 -0.095 0.000 0.996 428 D CB 0.706 41.452 40.800 -0.091 0.000 1.101 428 D HN 0.480 nan 8.370 nan 0.000 0.504 429 Y N -0.494 119.796 120.300 -0.016 0.000 2.480 429 Y HA 0.125 4.675 4.550 -0.000 0.000 0.356 429 Y C 0.169 176.068 175.900 -0.001 0.000 0.922 429 Y CA -0.687 57.412 58.100 -0.001 0.000 1.146 429 Y CB 0.405 38.861 38.460 -0.007 0.000 1.185 429 Y HN 0.240 nan 8.280 nan 0.000 0.624 430 E N 1.939 122.165 120.200 0.043 0.000 2.606 430 E HA -0.060 4.290 4.350 -0.000 0.000 0.248 430 E C 0.083 176.718 176.600 0.059 0.000 1.005 430 E CA 0.236 56.663 56.400 0.045 0.000 0.946 430 E CB 0.313 30.023 29.700 0.016 0.000 0.928 430 E HN 0.353 nan 8.360 nan 0.000 0.494 431 E N 2.340 122.580 120.200 0.067 0.000 2.912 431 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 431 E C -0.611 176.028 176.600 0.065 0.000 1.990 431 E CA 1.088 57.525 56.400 0.061 0.000 0.758 431 E CB -1.100 28.631 29.700 0.051 0.000 1.013 431 E HN 0.502 nan 8.360 nan 0.000 0.334 432 V N 0.158 120.117 119.914 0.074 0.000 3.927 432 V HA 0.464 4.584 4.120 -0.000 0.000 0.190 432 V C 0.570 176.699 176.094 0.057 0.000 1.201 432 V CA 0.274 62.621 62.300 0.078 0.000 1.324 432 V CB 0.238 32.137 31.823 0.127 0.000 1.545 432 V HN 0.389 nan 8.190 nan 0.000 0.534 433 E N 0.755 120.984 120.200 0.049 0.000 2.158 433 E HA 0.669 5.018 4.350 -0.000 0.000 0.271 433 E C 0.569 177.185 176.600 0.026 0.000 0.911 433 E CA 0.136 56.555 56.400 0.032 0.000 0.767 433 E CB 1.926 31.639 29.700 0.022 0.000 1.120 433 E HN 0.542 nan 8.360 nan 0.000 0.405 434 A N 3.850 126.685 122.820 0.024 0.000 2.168 434 A HA -0.054 4.266 4.320 -0.000 0.000 0.215 434 A C 1.295 178.890 177.584 0.018 0.000 1.152 434 A CA 1.095 53.146 52.037 0.023 0.000 0.716 434 A CB 0.169 19.181 19.000 0.021 0.000 0.794 434 A HN 0.658 nan 8.150 nan 0.000 0.465 435 E N -2.407 117.801 120.200 0.014 0.000 2.702 435 E HA 0.102 4.452 4.350 -0.000 0.000 0.225 435 E C 1.610 178.213 176.600 0.005 0.000 0.942 435 E CA 0.403 56.809 56.400 0.010 0.000 1.210 435 E CB 0.479 30.185 29.700 0.010 0.000 1.143 435 E HN 0.486 nan 8.360 nan 0.000 0.544 436 G N 1.403 110.205 108.800 0.003 0.000 2.551 436 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.214 436 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.214 436 G C 1.251 176.146 174.900 -0.009 0.000 1.250 436 G CA 0.626 45.723 45.100 -0.006 0.000 0.825 436 G HN 0.199 nan 8.290 nan 0.000 0.549 437 A N 0.518 123.331 122.820 -0.011 0.000 2.081 437 A HA 0.335 4.655 4.320 -0.000 0.000 0.213 437 A C 1.845 179.429 177.584 0.000 0.000 1.374 437 A CA 1.530 53.561 52.037 -0.010 0.000 1.203 437 A CB -0.752 18.244 19.000 -0.008 0.000 0.786 437 A HN 0.325 nan 8.150 nan 0.000 0.535 438 T N 0.245 114.799 114.554 0.000 0.000 3.031 438 T HA -0.023 4.327 4.350 -0.000 0.000 0.236 438 T C 1.910 176.609 174.700 -0.002 0.000 1.005 438 T CA 1.376 63.479 62.100 0.005 0.000 1.230 438 T CB -0.153 68.720 68.868 0.007 0.000 0.913 438 T HN 0.642 nan 8.240 nan 0.000 0.419 439 K N 2.393 122.790 120.400 -0.005 0.000 2.097 439 K HA 0.073 4.393 4.320 -0.000 0.000 0.205 439 K C 2.183 178.770 176.600 -0.021 0.000 1.050 439 K CA 1.121 57.402 56.287 -0.010 0.000 0.938 439 K CB -0.795 31.700 32.500 -0.008 0.000 0.718 439 K HN 0.355 nan 8.250 nan 0.000 0.442 440 M N 0.649 120.234 119.600 -0.025 0.000 2.089 440 M HA -0.064 4.416 4.480 -0.000 0.000 0.257 440 M C 1.599 177.859 176.300 -0.067 0.000 1.071 440 M CA 1.859 57.135 55.300 -0.041 0.000 1.096 440 M CB -0.426 32.154 32.600 -0.033 0.000 1.330 440 M HN 0.107 nan 8.290 nan 0.000 0.403 441 M N -0.371 119.199 119.600 -0.050 0.000 2.581 441 M HA 0.116 4.596 4.480 -0.000 0.000 0.224 441 M C 1.181 177.450 176.300 -0.053 0.000 1.171 441 M CA 0.539 55.798 55.300 -0.069 0.000 0.993 441 M CB -0.262 32.329 32.600 -0.015 0.000 1.685 441 M HN 0.502 nan 8.290 nan 0.000 0.479 442 K N 0.045 120.419 120.400 -0.042 0.000 2.477 442 K HA -0.019 4.301 4.320 -0.000 0.000 0.208 442 K C 1.302 177.886 176.600 -0.027 0.000 1.117 442 K CA 0.142 56.415 56.287 -0.024 0.000 1.039 442 K CB 0.608 33.103 32.500 -0.008 0.000 0.937 442 K HN 0.180 nan 8.250 nan 0.000 0.570 443 D N 1.273 121.646 120.400 -0.045 0.000 2.123 443 D HA -0.143 4.497 4.640 -0.000 0.000 0.200 443 D C 1.626 177.903 176.300 -0.039 0.000 0.976 443 D CA 0.928 54.905 54.000 -0.038 0.000 0.831 443 D CB 0.164 40.936 40.800 -0.047 0.000 0.974 443 D HN 0.240 nan 8.370 nan 0.000 0.469 444 L N 0.341 121.516 121.223 -0.081 0.000 2.093 444 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 444 L C 1.542 178.413 176.870 0.002 0.000 1.085 444 L CA 0.549 55.347 54.840 -0.071 0.000 0.755 444 L CB -0.446 41.516 42.059 -0.162 0.000 0.904 444 L HN -0.040 nan 8.230 nan 0.000 0.435 445 E N 0.426 120.631 120.200 0.009 0.000 1.881 445 E HA 0.240 4.590 4.350 -0.000 0.000 0.264 445 E C 0.374 177.032 176.600 0.096 0.000 1.243 445 E CA 0.753 57.195 56.400 0.070 0.000 0.965 445 E CB 0.507 30.236 29.700 0.049 0.000 1.055 445 E HN 0.343 nan 8.360 nan 0.000 0.412 446 A N 3.441 126.376 122.820 0.192 0.000 3.567 446 A HA -0.216 4.104 4.320 -0.000 0.000 0.196 446 A C 1.439 179.191 177.584 0.280 0.000 1.297 446 A CA 0.315 52.476 52.037 0.206 0.000 1.173 446 A CB -1.637 17.413 19.000 0.083 0.000 0.811 446 A HN 0.513 nan 8.150 nan 0.000 0.391 447 L N -0.394 120.924 121.223 0.158 0.000 2.103 447 L HA -0.196 4.144 4.340 -0.000 0.000 0.215 447 L C 2.153 179.129 176.870 0.177 0.000 1.080 447 L CA 3.186 58.105 54.840 0.132 0.000 0.764 447 L CB -0.285 41.807 42.059 0.054 0.000 0.890 447 L HN 0.631 nan 8.230 nan 0.000 0.435 448 M N -0.235 119.452 119.600 0.146 0.000 2.659 448 M HA 0.066 4.546 4.480 -0.000 0.000 0.243 448 M C 0.284 176.563 176.300 -0.034 0.000 1.111 448 M CA 0.635 55.982 55.300 0.080 0.000 1.070 448 M CB -0.852 31.725 32.600 -0.039 0.000 1.525 448 M HN 0.216 nan 8.290 nan 0.000 0.517 449 F N 0.794 120.806 119.950 0.104 0.000 2.651 449 F HA 0.154 4.681 4.527 -0.000 0.000 0.369 449 F C -0.068 175.745 175.800 0.022 0.000 1.187 449 F CA -0.173 57.860 58.000 0.055 0.000 1.335 449 F CB -0.614 38.406 39.000 0.033 0.000 1.707 449 F HN 0.078 nan 8.300 nan 0.000 0.637 450 D N -0.353 120.042 120.400 -0.009 0.000 2.788 450 D HA 0.226 4.866 4.640 -0.000 0.000 0.247 450 D C 0.914 176.953 176.300 -0.434 0.000 1.236 450 D CA -0.548 53.327 54.000 -0.209 0.000 0.898 450 D CB 1.015 41.623 40.800 -0.319 0.000 1.401 450 D HN -0.064 nan 8.370 nan 0.000 0.549 451 R N 1.886 122.215 120.500 -0.285 0.000 2.377 451 R HA -0.001 4.339 4.340 -0.000 0.000 0.207 451 R C 0.278 176.383 176.300 -0.325 0.000 1.075 451 R CA 0.486 56.440 56.100 -0.244 0.000 1.035 451 R CB -0.024 30.194 30.300 -0.136 0.000 0.857 451 R HN 0.330 nan 8.270 nan 0.000 0.475 452 S N -0.759 114.585 115.700 -0.594 0.000 2.539 452 S HA 0.160 4.630 4.470 -0.000 0.000 0.221 452 S C 0.745 175.135 174.600 -0.349 0.000 0.987 452 S CA -0.330 57.596 58.200 -0.455 0.000 0.929 452 S CB 0.226 63.192 63.200 -0.389 0.000 0.832 452 S HN 0.271 nan 8.310 nan 0.000 0.492 453 F N 0.696 120.615 119.950 -0.052 0.000 2.749 453 F HA 0.201 4.728 4.527 -0.000 0.000 0.300 453 F C 0.626 176.387 175.800 -0.065 0.000 1.103 453 F CA -0.309 57.654 58.000 -0.063 0.000 1.342 453 F CB 0.230 39.191 39.000 -0.065 0.000 1.098 453 F HN -0.075 nan 8.300 nan 0.000 0.586 454 V N 1.882 121.829 119.914 0.055 0.000 2.070 454 V HA 0.381 4.501 4.120 -0.000 0.000 0.239 454 V C 0.650 176.751 176.094 0.011 0.000 1.472 454 V CA 0.200 62.516 62.300 0.027 0.000 1.453 454 V CB -1.131 30.689 31.823 -0.005 0.000 1.503 454 V HN 0.457 nan 8.190 nan 0.000 0.501 455 G N 3.069 111.873 108.800 0.007 0.000 2.496 455 G HA2 0.024 3.984 3.960 -0.000 0.000 0.220 455 G HA3 0.024 3.984 3.960 -0.000 0.000 0.220 455 G C -0.747 174.117 174.900 -0.059 0.000 3.253 455 G CA -0.988 44.098 45.100 -0.023 0.000 0.843 455 G HN 0.444 nan 8.290 nan 0.000 0.512 456 K N 1.024 121.349 120.400 -0.125 0.000 2.339 456 K HA 0.491 4.811 4.320 -0.000 0.000 0.264 456 K C -0.058 176.345 176.600 -0.327 0.000 0.986 456 K CA -0.710 55.429 56.287 -0.247 0.000 0.866 456 K CB 1.354 33.633 32.500 -0.369 0.000 1.103 456 K HN 0.331 nan 8.250 nan 0.000 0.441 457 Q N 1.797 121.446 119.800 -0.251 0.000 2.259 457 Q HA 0.370 4.710 4.340 -0.000 0.000 0.246 457 Q C -0.867 174.997 176.000 -0.227 0.000 0.920 457 Q CA 0.089 55.785 55.803 -0.178 0.000 0.895 457 Q CB 0.541 29.226 28.738 -0.088 0.000 1.220 457 Q HN 0.330 nan 8.270 nan 0.000 0.439 458 F N -0.242 119.667 119.950 -0.068 0.000 2.557 458 F HA 0.534 5.061 4.527 -0.000 0.000 0.336 458 F C 0.404 176.167 175.800 -0.061 0.000 1.058 458 F CA -0.769 57.191 58.000 -0.067 0.000 0.988 458 F CB 1.969 40.916 39.000 -0.087 0.000 1.275 458 F HN 0.589 nan 8.300 nan 0.000 0.488 459 S N -0.172 115.708 115.700 0.300 0.000 2.924 459 S HA 0.664 5.134 4.470 -0.000 0.000 0.244 459 S C -0.743 173.885 174.600 0.047 0.000 0.842 459 S CA -0.370 57.895 58.200 0.107 0.000 1.086 459 S CB -0.108 63.137 63.200 0.075 0.000 1.295 459 S HN 0.727 nan 8.310 nan 0.000 0.500 460 A N 1.512 124.318 122.820 -0.024 0.000 2.330 460 A HA 0.813 5.133 4.320 -0.000 0.000 0.313 460 A C 0.730 178.227 177.584 -0.144 0.000 1.124 460 A CA -0.272 51.704 52.037 -0.102 0.000 0.774 460 A CB 0.665 19.559 19.000 -0.176 0.000 1.198 460 A HN 0.297 nan 8.150 nan 0.000 0.465 461 N N 0.637 119.281 118.700 -0.093 0.000 2.453 461 N HA -0.229 4.511 4.740 -0.000 0.000 0.177 461 N C -0.083 175.377 175.510 -0.084 0.000 0.529 461 N CA 2.501 55.501 53.050 -0.084 0.000 1.553 461 N CB -0.775 37.657 38.487 -0.093 0.000 1.408 461 N HN 1.171 nan 8.380 nan 0.000 0.400 462 D N -0.392 119.945 120.400 -0.105 0.000 2.671 462 D HA 0.399 5.039 4.640 -0.000 0.000 0.273 462 D C -1.147 175.034 176.300 -0.199 0.000 1.264 462 D CA 0.122 54.053 54.000 -0.115 0.000 0.788 462 D CB 1.314 42.069 40.800 -0.074 0.000 1.324 462 D HN 0.630 nan 8.370 nan 0.000 0.424 463 K N 0.170 120.435 120.400 -0.225 0.000 6.865 463 K HA -0.142 4.178 4.320 -0.000 0.000 0.761 463 K C -1.402 174.771 176.600 -0.712 0.000 2.274 463 K CA 0.399 56.457 56.287 -0.382 0.000 1.700 463 K CB -1.315 30.983 32.500 -0.336 0.000 1.937 463 K HN 0.603 nan 8.250 nan 0.000 0.307 464 V N 6.767 126.406 119.914 -0.458 0.000 2.673 464 V HA 0.287 4.406 4.120 -0.000 0.000 0.303 464 V C -0.490 175.272 176.094 -0.553 0.000 1.046 464 V CA 0.284 62.360 62.300 -0.372 0.000 1.126 464 V CB 0.042 31.777 31.823 -0.147 0.000 0.934 464 V HN 0.574 nan 8.190 nan 0.000 0.487 465 Y N 5.229 125.525 120.300 -0.007 0.000 2.842 465 Y HA 0.363 4.913 4.550 -0.000 0.000 0.334 465 Y C 1.016 176.733 175.900 -0.304 0.000 1.019 465 Y CA -0.866 57.121 58.100 -0.188 0.000 1.258 465 Y CB 0.575 38.820 38.460 -0.359 0.000 1.106 465 Y HN 0.860 nan 8.280 nan 0.000 0.545 466 T N -1.002 113.542 114.554 -0.015 0.000 2.908 466 T HA 0.302 4.652 4.350 -0.000 0.000 0.325 466 T C 0.461 175.141 174.700 -0.035 0.000 1.092 466 T CA -0.613 61.473 62.100 -0.023 0.000 1.125 466 T CB 0.727 69.617 68.868 0.038 0.000 1.016 466 T HN 0.183 nan 8.240 nan 0.000 0.550 467 V N 1.916 121.829 119.914 -0.002 0.000 3.036 467 V HA 0.448 4.568 4.120 -0.000 0.000 0.308 467 V C 1.073 177.244 176.094 0.128 0.000 1.070 467 V CA -0.324 62.013 62.300 0.062 0.000 1.056 467 V CB 1.128 32.964 31.823 0.020 0.000 1.084 467 V HN 1.156 nan 8.190 nan 0.000 0.471 468 E N -0.114 120.187 120.200 0.168 0.000 2.628 468 E HA 0.150 4.500 4.350 -0.000 0.000 0.275 468 E C 0.033 176.705 176.600 0.119 0.000 1.118 468 E CA -0.326 56.157 56.400 0.137 0.000 1.989 468 E CB 0.608 30.401 29.700 0.155 0.000 2.738 468 E HN 0.519 nan 8.360 nan 0.000 1.053 469 K N 0.172 120.659 120.400 0.145 0.000 2.296 469 K HA 0.849 5.169 4.320 -0.000 0.000 0.243 469 K C -1.373 175.292 176.600 0.110 0.000 1.082 469 K CA -0.344 56.006 56.287 0.105 0.000 0.929 469 K CB 2.004 34.557 32.500 0.089 0.000 1.353 469 K HN 0.219 nan 8.250 nan 0.000 0.536 470 A N 1.530 124.402 122.820 0.087 0.000 1.320 470 A HA 0.352 4.672 4.320 -0.000 0.000 0.218 470 A C -1.445 176.183 177.584 0.074 0.000 0.940 470 A CA -0.235 51.854 52.037 0.087 0.000 0.663 470 A CB -0.389 18.656 19.000 0.075 0.000 0.547 470 A HN 0.765 nan 8.150 nan 0.000 0.322 471 D N 1.688 122.144 120.400 0.094 0.000 4.734 471 D HA 0.519 5.159 4.640 -0.000 0.000 0.324 471 D C -0.168 176.206 176.300 0.123 0.000 1.750 471 D CA 0.179 54.239 54.000 0.100 0.000 0.980 471 D CB 0.197 41.058 40.800 0.102 0.000 1.512 471 D HN 0.515 nan 8.370 nan 0.000 0.685 472 N N -1.830 116.957 118.700 0.146 0.000 2.972 472 N HA 0.529 5.269 4.740 -0.000 0.000 0.262 472 N C -1.879 173.778 175.510 0.244 0.000 1.478 472 N CA -0.446 52.708 53.050 0.173 0.000 0.841 472 N CB 2.359 40.924 38.487 0.130 0.000 1.512 472 N HN 0.306 nan 8.380 nan 0.000 0.548 473 F N 1.281 121.285 119.950 0.090 0.000 2.540 473 F HA 0.460 4.987 4.527 -0.000 0.000 0.317 473 F C -0.626 175.234 175.800 0.100 0.000 1.104 473 F CA -0.425 57.632 58.000 0.095 0.000 0.913 473 F CB 1.077 40.131 39.000 0.090 0.000 1.170 473 F HN 0.477 nan 8.300 nan 0.000 0.450 474 E N 3.931 123.512 120.200 -1.032 0.000 2.430 474 E HA 0.358 4.708 4.350 -0.000 0.000 0.279 474 E C -2.312 173.710 176.600 -0.964 0.000 1.003 474 E CA -0.989 54.950 56.400 -0.767 0.000 0.801 474 E CB 2.860 32.412 29.700 -0.247 0.000 1.313 474 E HN 0.615 nan 8.360 nan 0.000 0.459 475 Y N 0.675 120.601 120.300 -0.624 0.000 2.421 475 Y HA 0.416 4.966 4.550 -0.000 0.000 0.339 475 Y C -1.730 173.982 175.900 -0.313 0.000 0.996 475 Y CA -0.670 57.208 58.100 -0.370 0.000 1.046 475 Y CB 1.961 40.280 38.460 -0.236 0.000 1.226 475 Y HN 0.661 nan 8.280 nan 0.000 0.445 476 H N 3.644 122.251 119.070 -0.770 0.000 2.685 476 H HA 0.223 4.779 4.556 -0.000 0.000 0.307 476 H C -1.060 173.785 175.328 -0.805 0.000 1.017 476 H CA -1.041 54.655 56.048 -0.586 0.000 1.237 476 H CB 0.966 30.523 29.762 -0.342 0.000 1.409 476 H HN 0.648 nan 8.280 nan 0.000 0.488 477 D N 4.317 124.368 120.400 -0.581 0.000 2.434 477 D HA -0.005 4.635 4.640 -0.000 0.000 0.252 477 D C -1.270 174.918 176.300 -0.187 0.000 1.185 477 D CA -1.102 52.699 54.000 -0.332 0.000 0.886 477 D CB 1.122 41.860 40.800 -0.104 0.000 1.148 477 D HN 0.308 nan 8.370 nan 0.000 0.483 478 P HA -0.072 nan 4.420 nan 0.000 0.233 478 P C 0.821 178.101 177.300 -0.034 0.000 1.167 478 P CA 0.339 63.390 63.100 -0.081 0.000 0.770 478 P CB 0.327 31.984 31.700 -0.072 0.000 0.837 479 V N 0.628 120.534 119.914 -0.013 0.000 2.581 479 V HA -0.062 4.058 4.120 -0.000 0.000 0.240 479 V C 1.693 177.801 176.094 0.023 0.000 1.054 479 V CA 2.041 64.350 62.300 0.015 0.000 1.076 479 V CB -0.911 30.934 31.823 0.037 0.000 0.748 479 V HN 0.206 nan 8.190 nan 0.000 0.474 480 D N -0.836 119.583 120.400 0.031 0.000 2.479 480 D HA 0.311 4.951 4.640 -0.000 0.000 0.216 480 D C 1.440 177.746 176.300 0.011 0.000 1.110 480 D CA 0.812 54.834 54.000 0.036 0.000 0.841 480 D CB 0.667 41.510 40.800 0.073 0.000 1.040 480 D HN 0.431 nan 8.370 nan 0.000 0.505 481 G N 0.129 108.915 108.800 -0.023 0.000 2.130 481 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 481 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 481 G C 0.219 175.069 174.900 -0.084 0.000 0.999 481 G CA 0.128 45.202 45.100 -0.044 0.000 0.686 481 G HN 0.538 nan 8.290 nan 0.000 0.515 482 S N -0.649 114.980 115.700 -0.119 0.000 2.585 482 S HA 0.688 5.158 4.470 -0.000 0.000 0.273 482 S C 0.823 175.237 174.600 -0.309 0.000 1.339 482 S CA 0.353 58.449 58.200 -0.174 0.000 1.028 482 S CB 1.185 64.252 63.200 -0.222 0.000 0.906 482 S HN 1.760 nan 8.310 nan 0.000 0.528 483 V N 1.497 121.233 119.914 -0.297 0.000 3.113 483 V HA 0.881 5.001 4.120 -0.000 0.000 0.316 483 V C 0.081 176.012 176.094 -0.272 0.000 1.125 483 V CA -0.681 61.358 62.300 -0.435 0.000 1.026 483 V CB 1.504 33.049 31.823 -0.463 0.000 1.080 483 V HN 0.776 nan 8.190 nan 0.000 0.444 484 S N 0.400 115.940 115.700 -0.267 0.000 2.801 484 S HA 0.671 5.141 4.470 -0.000 0.000 0.312 484 S C -0.944 173.604 174.600 -0.087 0.000 1.112 484 S CA -1.000 57.123 58.200 -0.128 0.000 0.943 484 S CB 1.281 64.426 63.200 -0.092 0.000 1.269 484 S HN 0.888 nan 8.310 nan 0.000 0.558 485 K N 2.060 122.446 120.400 -0.023 0.000 2.502 485 K HA 0.303 4.623 4.320 -0.000 0.000 0.254 485 K C 0.141 176.763 176.600 0.037 0.000 0.947 485 K CA -0.779 55.511 56.287 0.006 0.000 0.834 485 K CB 1.100 33.618 32.500 0.031 0.000 1.112 485 K HN 0.663 nan 8.250 nan 0.000 0.427 486 N N 3.144 121.860 118.700 0.026 0.000 1.409 486 N HA -0.463 4.277 4.740 -0.000 0.000 0.113 486 N C 0.752 176.326 175.510 0.106 0.000 0.398 486 N CA 2.327 55.411 53.050 0.057 0.000 0.788 486 N CB -0.779 37.738 38.487 0.050 0.000 0.637 486 N HN 0.747 nan 8.380 nan 0.000 1.398 487 Q N -0.515 119.346 119.800 0.101 0.000 1.790 487 Q HA -0.188 4.152 4.340 -0.000 0.000 0.172 487 Q C 0.721 176.813 176.000 0.154 0.000 2.943 487 Q CA 2.812 58.690 55.803 0.124 0.000 0.194 487 Q CB -1.809 27.010 28.738 0.135 0.000 0.229 487 Q HN 0.972 nan 8.270 nan 0.000 0.360 488 G N -0.766 108.152 108.800 0.197 0.000 2.533 488 G HA2 0.592 4.552 3.960 -0.000 0.000 0.310 488 G HA3 0.592 4.552 3.960 -0.000 0.000 0.310 488 G C -0.725 174.319 174.900 0.240 0.000 1.266 488 G CA -0.637 44.596 45.100 0.222 0.000 0.967 488 G HN 0.108 nan 8.290 nan 0.000 0.493 489 L N 2.093 123.471 121.223 0.257 0.000 2.464 489 L HA 0.581 4.921 4.340 -0.000 0.000 0.264 489 L C 0.794 177.897 176.870 0.388 0.000 1.199 489 L CA -0.430 54.560 54.840 0.250 0.000 0.818 489 L CB 0.687 42.777 42.059 0.052 0.000 1.102 489 L HN 0.574 nan 8.230 nan 0.000 0.473 490 R N 2.319 123.002 120.500 0.305 0.000 2.695 490 R HA 0.304 4.644 4.340 -0.000 0.000 0.288 490 R C -1.757 174.677 176.300 0.222 0.000 1.344 490 R CA -0.784 55.481 56.100 0.276 0.000 1.005 490 R CB 0.358 30.749 30.300 0.153 0.000 1.233 490 R HN 0.399 nan 8.270 nan 0.000 0.442 491 L N 4.861 126.266 121.223 0.303 0.000 2.515 491 L HA 0.317 4.657 4.340 -0.000 0.000 0.281 491 L C -0.291 176.660 176.870 0.135 0.000 1.131 491 L CA 0.191 55.169 54.840 0.229 0.000 0.905 491 L CB 0.108 42.359 42.059 0.319 0.000 1.246 491 L HN 0.577 nan 8.230 nan 0.000 0.463 492 I N 3.615 124.247 120.570 0.103 0.000 3.100 492 I HA 0.662 4.832 4.170 -0.000 0.000 0.312 492 I C -0.188 176.009 176.117 0.133 0.000 1.063 492 I CA -0.850 60.449 61.300 -0.002 0.000 1.031 492 I CB 1.527 39.520 38.000 -0.012 0.000 1.243 492 I HN 0.487 nan 8.210 nan 0.000 0.483 493 F N -1.027 118.976 119.950 0.090 0.000 3.016 493 F HA 0.745 5.272 4.527 -0.000 0.000 0.324 493 F C 1.147 177.011 175.800 0.106 0.000 1.196 493 F CA -0.760 57.299 58.000 0.098 0.000 0.929 493 F CB 0.480 39.550 39.000 0.117 0.000 1.440 493 F HN 0.437 nan 8.300 nan 0.000 0.505 494 A N 0.737 123.869 122.820 0.520 0.000 1.893 494 A HA -0.308 4.012 4.320 -0.000 0.000 0.222 494 A C 1.779 179.539 177.584 0.294 0.000 1.309 494 A CA 2.942 55.177 52.037 0.330 0.000 0.681 494 A CB -1.740 17.431 19.000 0.285 0.000 0.842 494 A HN 0.918 nan 8.150 nan 0.000 0.468 495 D N -1.885 118.744 120.400 0.381 0.000 2.107 495 D HA 0.292 4.932 4.640 -0.000 0.000 0.204 495 D C 1.043 177.513 176.300 0.284 0.000 0.978 495 D CA 1.101 55.307 54.000 0.343 0.000 0.852 495 D CB -0.397 40.615 40.800 0.353 0.000 1.008 495 D HN 1.176 nan 8.370 nan 0.000 0.458 496 G N -0.046 108.811 108.800 0.095 0.000 2.194 496 G HA2 0.297 4.257 3.960 -0.000 0.000 0.178 496 G HA3 0.297 4.257 3.960 -0.000 0.000 0.178 496 G C -1.127 173.621 174.900 -0.254 0.000 2.173 496 G CA -0.419 44.625 45.100 -0.093 0.000 1.042 496 G HN 0.321 nan 8.290 nan 0.000 0.588 497 S N 1.854 117.197 115.700 -0.594 0.000 2.536 497 S HA 0.929 5.399 4.470 -0.000 0.000 0.271 497 S C -0.395 173.993 174.600 -0.352 0.000 1.134 497 S CA -1.119 56.774 58.200 -0.512 0.000 0.897 497 S CB 2.671 65.403 63.200 -0.781 0.000 1.094 497 S HN 1.399 nan 8.310 nan 0.000 0.473 498 R N 0.479 120.874 120.500 -0.175 0.000 2.634 498 R HA 0.520 4.860 4.340 -0.000 0.000 0.263 498 R C -2.451 173.784 176.300 -0.107 0.000 1.060 498 R CA -0.802 55.240 56.100 -0.096 0.000 0.898 498 R CB 0.412 30.678 30.300 -0.057 0.000 1.253 498 R HN 0.536 nan 8.270 nan 0.000 0.461 499 I N 3.091 123.580 120.570 -0.135 0.000 2.390 499 I HA 0.355 4.525 4.170 -0.000 0.000 0.283 499 I C 0.417 176.342 176.117 -0.319 0.000 1.016 499 I CA -0.542 60.539 61.300 -0.365 0.000 1.151 499 I CB 1.578 39.131 38.000 -0.745 0.000 1.293 499 I HN 0.484 nan 8.210 nan 0.000 0.458 500 I N 6.721 127.215 120.570 -0.125 0.000 2.268 500 I HA 0.080 4.250 4.170 -0.000 0.000 0.298 500 I C -0.215 175.951 176.117 0.082 0.000 1.185 500 I CA -0.147 61.200 61.300 0.079 0.000 1.548 500 I CB -0.595 37.517 38.000 0.186 0.000 1.492 500 I HN 0.424 nan 8.210 nan 0.000 0.711 501 F N 4.467 124.448 119.950 0.051 0.000 2.495 501 F HA 0.053 4.580 4.527 -0.000 0.000 0.339 501 F C 1.294 177.123 175.800 0.049 0.000 1.226 501 F CA 0.016 58.031 58.000 0.025 0.000 0.998 501 F CB -0.416 38.591 39.000 0.012 0.000 1.180 501 F HN 0.324 nan 8.300 nan 0.000 0.611 502 R N 3.507 124.112 120.500 0.175 0.000 2.220 502 R HA 0.271 4.611 4.340 -0.000 0.000 0.340 502 R C -0.527 175.847 176.300 0.124 0.000 1.076 502 R CA -0.810 55.385 56.100 0.159 0.000 0.920 502 R CB 0.535 30.927 30.300 0.154 0.000 1.062 502 R HN 0.503 nan 8.270 nan 0.000 0.469 503 L N 2.493 123.791 121.223 0.124 0.000 2.349 503 L HA 0.177 4.517 4.340 -0.000 0.000 0.275 503 L C -0.114 176.812 176.870 0.094 0.000 1.115 503 L CA 0.403 55.300 54.840 0.094 0.000 0.820 503 L CB 1.630 43.737 42.059 0.081 0.000 1.135 503 L HN 0.487 nan 8.230 nan 0.000 0.445 504 S N 2.687 118.436 115.700 0.082 0.000 2.576 504 S HA 0.348 4.818 4.470 -0.000 0.000 0.276 504 S C 0.885 175.531 174.600 0.076 0.000 1.339 504 S CA -0.036 58.213 58.200 0.082 0.000 1.039 504 S CB 1.395 64.639 63.200 0.074 0.000 0.902 504 S HN 0.902 nan 8.310 nan 0.000 0.516 505 G N 0.690 109.537 108.800 0.078 0.000 2.641 505 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.207 505 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.207 505 G C 1.026 175.965 174.900 0.064 0.000 1.137 505 G CA 0.287 45.430 45.100 0.070 0.000 0.824 505 G HN 0.711 nan 8.290 nan 0.000 0.547 506 T N -0.595 113.998 114.554 0.065 0.000 3.144 506 T HA 0.334 4.684 4.350 -0.000 0.000 0.249 506 T C 1.326 176.060 174.700 0.056 0.000 1.089 506 T CA 0.268 62.402 62.100 0.057 0.000 0.989 506 T CB 0.725 69.625 68.868 0.054 0.000 0.992 506 T HN 0.243 nan 8.240 nan 0.000 0.540 507 G N 0.866 109.701 108.800 0.059 0.000 2.605 507 G HA2 0.366 4.326 3.960 -0.000 0.000 0.301 507 G HA3 0.366 4.326 3.960 -0.000 0.000 0.301 507 G C 0.584 175.514 174.900 0.049 0.000 0.881 507 G CA -0.531 44.602 45.100 0.056 0.000 1.553 507 G HN 0.326 nan 8.290 nan 0.000 0.483 508 S N 2.168 117.896 115.700 0.047 0.000 2.356 508 S HA 0.002 4.472 4.470 -0.000 0.000 0.219 508 S C 2.744 177.368 174.600 0.039 0.000 1.036 508 S CA 0.874 59.099 58.200 0.043 0.000 0.965 508 S CB -0.029 63.197 63.200 0.043 0.000 0.864 508 S HN 0.713 nan 8.310 nan 0.000 0.471 509 A N 0.908 123.752 122.820 0.039 0.000 2.015 509 A HA 0.457 4.777 4.320 -0.000 0.000 0.219 509 A C 1.092 178.698 177.584 0.037 0.000 1.163 509 A CA 1.243 53.301 52.037 0.036 0.000 0.646 509 A CB -0.473 18.548 19.000 0.035 0.000 0.806 509 A HN 0.596 nan 8.150 nan 0.000 0.448 510 G N -3.160 105.664 108.800 0.041 0.000 2.489 510 G HA2 0.574 4.534 3.960 -0.000 0.000 0.291 510 G HA3 0.574 4.534 3.960 -0.000 0.000 0.291 510 G C -1.078 173.851 174.900 0.049 0.000 1.487 510 G CA -0.099 45.027 45.100 0.043 0.000 0.795 510 G HN 0.923 nan 8.290 nan 0.000 0.513 511 A N 0.282 123.132 122.820 0.049 0.000 2.260 511 A HA 0.717 5.037 4.320 -0.000 0.000 0.308 511 A C 0.427 178.050 177.584 0.064 0.000 1.254 511 A CA 0.060 52.130 52.037 0.055 0.000 0.874 511 A CB 0.892 19.921 19.000 0.049 0.000 1.153 511 A HN 1.281 nan 8.150 nan 0.000 0.527 512 T N 3.179 117.775 114.554 0.069 0.000 2.749 512 T HA 0.428 4.778 4.350 -0.000 0.000 0.295 512 T C 0.102 174.848 174.700 0.077 0.000 0.936 512 T CA -0.205 61.940 62.100 0.076 0.000 1.060 512 T CB -0.488 68.421 68.868 0.069 0.000 0.904 512 T HN 0.407 nan 8.240 nan 0.000 0.500 513 I N 5.404 126.034 120.570 0.101 0.000 2.320 513 I HA 0.249 4.419 4.170 -0.000 0.000 0.283 513 I C 1.064 177.227 176.117 0.076 0.000 1.086 513 I CA -0.362 60.994 61.300 0.094 0.000 1.539 513 I CB -0.297 37.751 38.000 0.080 0.000 1.504 513 I HN 0.448 nan 8.210 nan 0.000 0.661 514 R N 2.981 123.474 120.500 -0.012 0.000 2.474 514 R HA 0.111 4.451 4.340 -0.000 0.000 0.339 514 R C -0.711 175.334 176.300 -0.424 0.000 1.033 514 R CA -0.211 55.777 56.100 -0.185 0.000 0.997 514 R CB 0.106 30.307 30.300 -0.166 0.000 0.963 514 R HN 0.299 nan 8.270 nan 0.000 0.438 515 L N 6.229 127.237 121.223 -0.358 0.000 2.276 515 L HA 0.245 4.585 4.340 -0.000 0.000 0.286 515 L C -1.054 175.477 176.870 -0.564 0.000 1.061 515 L CA -0.143 54.480 54.840 -0.362 0.000 0.807 515 L CB 0.850 42.839 42.059 -0.116 0.000 1.177 515 L HN 0.505 nan 8.230 nan 0.000 0.429 516 Y N 5.154 125.350 120.300 -0.173 0.000 2.402 516 Y HA 0.501 5.051 4.550 -0.000 0.000 0.332 516 Y C 0.096 175.740 175.900 -0.427 0.000 0.960 516 Y CA -0.993 56.900 58.100 -0.346 0.000 1.228 516 Y CB 0.644 39.004 38.460 -0.166 0.000 1.120 516 Y HN 0.259 nan 8.280 nan 0.000 0.491 517 I N 2.363 122.668 120.570 -0.441 0.000 2.460 517 I HA 0.444 4.614 4.170 -0.000 0.000 0.298 517 I C -0.509 175.454 176.117 -0.256 0.000 0.989 517 I CA -0.689 60.427 61.300 -0.307 0.000 1.173 517 I CB 1.975 39.830 38.000 -0.242 0.000 1.338 517 I HN 0.465 nan 8.210 nan 0.000 0.456 518 D N 3.034 123.375 120.400 -0.098 0.000 2.863 518 D HA 0.339 4.979 4.640 -0.000 0.000 0.245 518 D C -1.319 174.985 176.300 0.007 0.000 1.211 518 D CA -0.067 53.952 54.000 0.033 0.000 0.888 518 D CB 2.136 42.974 40.800 0.063 0.000 1.483 518 D HN 0.525 nan 8.370 nan 0.000 0.533 519 S N 3.689 119.453 115.700 0.106 0.000 2.707 519 S HA 0.279 4.749 4.470 -0.000 0.000 0.312 519 S C -1.407 173.364 174.600 0.284 0.000 1.116 519 S CA -0.626 57.625 58.200 0.086 0.000 1.078 519 S CB 0.300 63.481 63.200 -0.032 0.000 0.997 519 S HN 0.357 nan 8.310 nan 0.000 0.477 520 Y N 4.241 124.551 120.300 0.018 0.000 2.535 520 Y HA 0.505 5.055 4.550 -0.000 0.000 0.349 520 Y C 0.024 175.986 175.900 0.103 0.000 0.992 520 Y CA -1.150 56.987 58.100 0.063 0.000 1.248 520 Y CB 0.337 38.799 38.460 0.003 0.000 1.124 520 Y HN 0.727 nan 8.280 nan 0.000 0.520 521 E N 3.876 124.205 120.200 0.214 0.000 2.249 521 E HA 0.273 4.623 4.350 -0.000 0.000 0.280 521 E C 0.207 176.744 176.600 -0.106 0.000 1.016 521 E CA -0.129 56.314 56.400 0.071 0.000 0.830 521 E CB 1.137 31.003 29.700 0.276 0.000 1.081 521 E HN 0.678 nan 8.360 nan 0.000 0.395 522 K N 1.963 122.298 120.400 -0.109 0.000 2.244 522 K HA 0.088 4.408 4.320 -0.000 0.000 0.200 522 K C -0.023 176.593 176.600 0.025 0.000 1.052 522 K CA 0.073 56.303 56.287 -0.096 0.000 0.980 522 K CB 0.374 32.818 32.500 -0.093 0.000 0.838 522 K HN 0.527 nan 8.250 nan 0.000 0.481 523 D N 0.796 121.229 120.400 0.055 0.000 2.302 523 D HA -0.004 4.636 4.640 -0.000 0.000 0.248 523 D C 0.714 177.084 176.300 0.117 0.000 1.094 523 D CA 0.062 54.104 54.000 0.070 0.000 0.897 523 D CB 1.128 41.962 40.800 0.056 0.000 1.200 523 D HN -0.068 nan 8.370 nan 0.000 0.429 524 N N 2.511 121.264 118.700 0.087 0.000 2.049 524 N HA -0.259 4.481 4.740 -0.000 0.000 0.198 524 N C 1.418 177.033 175.510 0.175 0.000 1.030 524 N CA 2.092 55.191 53.050 0.081 0.000 0.870 524 N CB -0.142 38.301 38.487 -0.073 0.000 1.045 524 N HN 0.544 nan 8.380 nan 0.000 0.434 525 A N 0.417 123.304 122.820 0.112 0.000 1.897 525 A HA -0.040 4.280 4.320 -0.000 0.000 0.215 525 A C 2.015 179.680 177.584 0.135 0.000 1.181 525 A CA 1.287 53.395 52.037 0.119 0.000 0.620 525 A CB -0.266 18.778 19.000 0.074 0.000 0.821 525 A HN 0.374 nan 8.150 nan 0.000 0.443 526 K N -0.618 119.858 120.400 0.126 0.000 2.525 526 K HA 0.261 4.581 4.320 -0.000 0.000 0.192 526 K C 1.129 177.842 176.600 0.187 0.000 1.029 526 K CA 0.293 56.656 56.287 0.127 0.000 1.029 526 K CB -0.035 32.527 32.500 0.103 0.000 0.814 526 K HN 0.522 nan 8.250 nan 0.000 0.503 527 I N 0.541 121.220 120.570 0.182 0.000 2.556 527 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 527 I C 1.282 177.377 176.117 -0.036 0.000 1.105 527 I CA 0.491 61.844 61.300 0.088 0.000 1.436 527 I CB 0.107 38.171 38.000 0.107 0.000 1.139 527 I HN 0.085 nan 8.210 nan 0.000 0.438 528 N N 0.959 119.756 118.700 0.163 0.000 2.453 528 N HA -0.090 4.650 4.740 -0.000 0.000 0.183 528 N C 0.046 175.683 175.510 0.213 0.000 1.041 528 N CA 0.671 53.879 53.050 0.264 0.000 0.900 528 N CB -0.119 38.568 38.487 0.333 0.000 0.961 528 N HN 0.482 nan 8.380 nan 0.000 0.443 529 Q N -0.054 119.844 119.800 0.164 0.000 2.399 529 Q HA 0.520 4.860 4.340 -0.000 0.000 0.276 529 Q C -0.991 175.100 176.000 0.151 0.000 1.098 529 Q CA -0.834 55.062 55.803 0.156 0.000 0.827 529 Q CB 1.218 30.034 28.738 0.129 0.000 1.386 529 Q HN -0.067 nan 8.270 nan 0.000 0.443 530 D N -0.092 120.387 120.400 0.132 0.000 10.695 530 D HA -0.123 4.517 4.640 -0.000 0.000 0.330 530 D C -2.328 174.078 176.300 0.176 0.000 3.085 530 D CA 0.626 54.693 54.000 0.112 0.000 2.708 530 D CB -0.391 40.443 40.800 0.057 0.000 1.181 530 D HN 0.566 nan 8.370 nan 0.000 0.923 531 P HA 0.039 nan 4.420 nan 0.000 0.187 531 P C 0.808 178.180 177.300 0.119 0.000 1.106 531 P CA 0.511 63.720 63.100 0.183 0.000 0.793 531 P CB -0.037 31.738 31.700 0.125 0.000 0.787 532 Q N 0.084 119.935 119.800 0.085 0.000 2.557 532 Q HA 0.026 4.366 4.340 -0.000 0.000 0.217 532 Q C 1.275 177.266 176.000 -0.015 0.000 0.978 532 Q CA 0.714 56.550 55.803 0.055 0.000 0.950 532 Q CB -1.002 27.811 28.738 0.126 0.000 0.991 532 Q HN 0.016 nan 8.270 nan 0.000 0.533 533 V N -0.733 119.160 119.914 -0.035 0.000 2.581 533 V HA -0.040 4.080 4.120 -0.000 0.000 0.240 533 V C 1.928 177.935 176.094 -0.145 0.000 1.054 533 V CA 0.593 62.854 62.300 -0.066 0.000 1.076 533 V CB -0.260 31.544 31.823 -0.033 0.000 0.748 533 V HN 0.359 nan 8.190 nan 0.000 0.474 534 M N -0.052 119.413 119.600 -0.225 0.000 2.539 534 M HA -0.027 4.453 4.480 -0.000 0.000 0.261 534 M C 1.959 177.918 176.300 -0.567 0.000 1.069 534 M CA 1.331 56.377 55.300 -0.423 0.000 1.081 534 M CB -1.168 31.050 32.600 -0.637 0.000 1.412 534 M HN 0.291 nan 8.290 nan 0.000 0.482 535 L N -0.423 120.534 121.223 -0.445 0.000 2.465 535 L HA -0.087 4.253 4.340 -0.000 0.000 0.224 535 L C 2.396 179.138 176.870 -0.214 0.000 1.145 535 L CA 0.326 54.972 54.840 -0.323 0.000 0.834 535 L CB -0.414 41.538 42.059 -0.177 0.000 0.944 535 L HN 0.265 nan 8.230 nan 0.000 0.451 536 A N 1.167 123.878 122.820 -0.182 0.000 1.896 536 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 536 A C -0.173 177.341 177.584 -0.117 0.000 1.206 536 A CA 2.251 54.209 52.037 -0.131 0.000 0.647 536 A CB -1.999 16.936 19.000 -0.107 0.000 0.828 536 A HN 0.308 nan 8.150 nan 0.000 0.455 537 P HA -0.160 nan 4.420 nan 0.000 0.215 537 P C 1.524 178.779 177.300 -0.076 0.000 1.157 537 P CA 0.923 63.969 63.100 -0.091 0.000 0.874 537 P CB -0.129 31.543 31.700 -0.047 0.000 0.790 538 L N -1.015 120.154 121.223 -0.090 0.000 2.093 538 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 538 L C 1.854 178.679 176.870 -0.076 0.000 1.085 538 L CA 1.750 56.554 54.840 -0.060 0.000 0.755 538 L CB -1.271 40.732 42.059 -0.093 0.000 0.904 538 L HN 0.076 nan 8.230 nan 0.000 0.435 539 I N -3.767 116.739 120.570 -0.106 0.000 3.862 539 I HA 0.128 4.298 4.170 -0.000 0.000 0.328 539 I C 1.655 177.720 176.117 -0.088 0.000 1.474 539 I CA 0.019 61.250 61.300 -0.114 0.000 1.215 539 I CB 0.093 37.999 38.000 -0.157 0.000 1.183 539 I HN -0.034 nan 8.210 nan 0.000 0.413 540 S N 1.066 116.726 115.700 -0.067 0.000 2.891 540 S HA 0.197 4.667 4.470 -0.000 0.000 0.247 540 S C 1.677 176.265 174.600 -0.020 0.000 1.063 540 S CA 0.004 58.170 58.200 -0.057 0.000 0.857 540 S CB 0.049 63.198 63.200 -0.085 0.000 0.800 540 S HN 0.483 nan 8.310 nan 0.000 0.540 541 I N 2.131 122.704 120.570 0.005 0.000 2.252 541 I HA -0.002 4.168 4.170 -0.000 0.000 0.245 541 I C 2.342 178.507 176.117 0.080 0.000 1.102 541 I CA 1.503 62.849 61.300 0.077 0.000 1.385 541 I CB -0.288 37.800 38.000 0.147 0.000 1.064 541 I HN 0.424 nan 8.210 nan 0.000 0.414 542 A N 0.016 122.865 122.820 0.049 0.000 2.066 542 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 542 A C 2.159 179.758 177.584 0.025 0.000 1.157 542 A CA 1.051 53.117 52.037 0.048 0.000 0.670 542 A CB -0.572 18.386 19.000 -0.070 0.000 0.804 542 A HN 0.520 nan 8.150 nan 0.000 0.453 543 L N -1.283 119.936 121.223 -0.006 0.000 2.416 543 L HA 0.005 4.345 4.340 -0.000 0.000 0.216 543 L C 2.393 179.264 176.870 0.002 0.000 1.098 543 L CA 1.282 56.112 54.840 -0.016 0.000 0.840 543 L CB -0.119 41.917 42.059 -0.039 0.000 0.981 543 L HN 0.441 nan 8.230 nan 0.000 0.462 544 K N 0.471 120.880 120.400 0.016 0.000 2.116 544 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 544 K C 1.712 178.324 176.600 0.021 0.000 1.052 544 K CA 0.967 57.265 56.287 0.018 0.000 0.952 544 K CB -0.369 32.148 32.500 0.028 0.000 0.729 544 K HN -0.091 nan 8.250 nan 0.000 0.446 545 V N 1.320 121.257 119.914 0.039 0.000 2.250 545 V HA -0.361 3.759 4.120 -0.000 0.000 0.250 545 V C 1.775 177.870 176.094 0.002 0.000 1.039 545 V CA 2.590 64.906 62.300 0.028 0.000 1.042 545 V CB -0.832 31.028 31.823 0.061 0.000 0.673 545 V HN 0.582 nan 8.190 nan 0.000 0.477 546 S N -1.063 114.638 115.700 0.002 0.000 2.701 546 S HA 0.108 4.577 4.470 -0.000 0.000 0.220 546 S C 0.803 175.395 174.600 -0.013 0.000 0.954 546 S CA 0.494 58.685 58.200 -0.014 0.000 0.936 546 S CB 0.021 63.209 63.200 -0.021 0.000 0.777 546 S HN 0.641 nan 8.310 nan 0.000 0.518 547 Q N -0.603 119.191 119.800 -0.009 0.000 2.468 547 Q HA -0.222 4.118 4.340 -0.000 0.000 0.256 547 Q C 0.750 176.742 176.000 -0.013 0.000 0.984 547 Q CA 0.448 56.245 55.803 -0.010 0.000 1.110 547 Q CB -2.074 26.658 28.738 -0.010 0.000 1.527 547 Q HN 0.393 nan 8.270 nan 0.000 0.535 548 L N 0.158 121.371 121.223 -0.017 0.000 2.201 548 L HA -0.403 3.937 4.340 -0.000 0.000 0.233 548 L C 2.501 179.354 176.870 -0.029 0.000 1.115 548 L CA 2.885 57.707 54.840 -0.030 0.000 0.840 548 L CB -0.892 41.140 42.059 -0.045 0.000 0.924 548 L HN 0.465 nan 8.230 nan 0.000 0.450 549 Q N -0.903 118.885 119.800 -0.020 0.000 2.084 549 Q HA -0.219 4.121 4.340 -0.000 0.000 0.202 549 Q C 1.955 177.951 176.000 -0.007 0.000 0.978 549 Q CA 1.829 57.626 55.803 -0.011 0.000 0.844 549 Q CB -0.028 28.708 28.738 -0.004 0.000 0.898 549 Q HN 0.761 nan 8.270 nan 0.000 0.426 550 E N -1.109 119.087 120.200 -0.007 0.000 2.474 550 E HA -0.054 4.296 4.350 -0.000 0.000 0.194 550 E C 1.388 177.984 176.600 -0.007 0.000 1.041 550 E CA 0.093 56.489 56.400 -0.005 0.000 0.874 550 E CB 0.248 29.946 29.700 -0.004 0.000 0.914 550 E HN 0.209 nan 8.360 nan 0.000 0.498 551 R N -0.063 120.430 120.500 -0.011 0.000 2.307 551 R HA 0.198 4.538 4.340 -0.000 0.000 0.200 551 R C 0.788 177.079 176.300 -0.015 0.000 0.893 551 R CA 0.779 56.871 56.100 -0.012 0.000 1.042 551 R CB 0.879 31.171 30.300 -0.014 0.000 1.059 551 R HN 0.120 nan 8.270 nan 0.000 0.530 552 T N -1.878 112.665 114.554 -0.019 0.000 3.361 552 T HA 0.235 4.585 4.350 -0.000 0.000 0.241 552 T C 0.259 174.951 174.700 -0.014 0.000 0.998 552 T CA 0.658 62.744 62.100 -0.022 0.000 1.215 552 T CB 1.205 70.049 68.868 -0.041 0.000 1.196 552 T HN 0.277 nan 8.240 nan 0.000 0.376 553 G N 1.897 110.688 108.800 -0.015 0.000 2.604 553 G HA2 0.147 4.107 3.960 -0.000 0.000 0.225 553 G HA3 0.147 4.107 3.960 -0.000 0.000 0.225 553 G C -0.822 174.090 174.900 0.020 0.000 1.059 553 G CA -0.855 44.246 45.100 0.003 0.000 1.203 553 G HN 0.297 nan 8.290 nan 0.000 0.630 554 R N 0.428 120.946 120.500 0.031 0.000 3.072 554 R HA 0.441 4.781 4.340 -0.000 0.000 0.293 554 R C 0.245 176.632 176.300 0.144 0.000 1.210 554 R CA 0.265 56.426 56.100 0.101 0.000 1.121 554 R CB 0.588 30.981 30.300 0.155 0.000 1.286 554 R HN 0.669 nan 8.270 nan 0.000 0.393 555 T N -1.466 113.158 114.554 0.118 0.000 3.209 555 T HA 0.334 4.684 4.350 -0.000 0.000 0.295 555 T C 0.324 175.069 174.700 0.075 0.000 0.977 555 T CA -0.136 62.022 62.100 0.096 0.000 0.922 555 T CB 1.037 69.932 68.868 0.045 0.000 1.152 555 T HN 0.438 nan 8.240 nan 0.000 0.527 556 A N 3.373 126.239 122.820 0.076 0.000 2.256 556 A HA 0.721 5.041 4.320 -0.000 0.000 0.317 556 A C -2.288 175.296 177.584 0.000 0.000 1.318 556 A CA -1.626 50.430 52.037 0.032 0.000 0.894 556 A CB 0.132 19.144 19.000 0.021 0.000 1.165 556 A HN 0.153 nan 8.150 nan 0.000 0.525 557 P HA 0.008 nan 4.420 nan 0.000 0.271 557 P C 0.827 178.059 177.300 -0.113 0.000 1.212 557 P CA 0.796 63.893 63.100 -0.006 0.000 0.788 557 P CB 0.504 32.220 31.700 0.026 0.000 0.865 558 T N -2.432 112.007 114.554 -0.191 0.000 3.425 558 T HA 0.192 4.542 4.350 -0.000 0.000 0.225 558 T C 0.241 174.797 174.700 -0.241 0.000 0.992 558 T CA -0.045 61.940 62.100 -0.191 0.000 1.174 558 T CB -0.038 68.718 68.868 -0.187 0.000 1.240 558 T HN 0.261 nan 8.240 nan 0.000 0.350 559 V N 2.353 122.091 119.914 -0.293 0.000 2.516 559 V HA 0.474 4.594 4.120 -0.000 0.000 0.271 559 V C -1.243 174.615 176.094 -0.394 0.000 0.992 559 V CA -1.118 60.979 62.300 -0.338 0.000 0.857 559 V CB 0.607 32.259 31.823 -0.285 0.000 1.047 559 V HN 0.519 nan 8.190 nan 0.000 0.455 560 I N 5.174 125.432 120.570 -0.520 0.000 2.529 560 I HA 0.500 4.670 4.170 -0.000 0.000 0.284 560 I C 0.645 176.567 176.117 -0.325 0.000 1.082 560 I CA 0.603 61.560 61.300 -0.572 0.000 1.406 560 I CB 1.125 38.660 38.000 -0.776 0.000 1.405 560 I HN 0.457 nan 8.210 nan 0.000 0.548 561 T N 0.000 114.450 114.554 -0.173 0.000 3.816 561 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 561 T CA 0.000 62.090 62.100 -0.017 0.000 1.349 561 T CB 0.000 68.931 68.868 0.105 0.000 0.612 561 T HN 0.000 nan 8.240 nan 0.000 0.658