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 1hk1_1_A DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTXXXXXXXX XXXXDccAKQ EPERNEcFLQ DATA SEQUENCE HKDDNPNLPR LVRPEVDVMc TAFHDNEETF LKKYLYEIAR RHPYFYAPEL DATA SEQUENCE LFFAKRYKAA FTEccQAADK AAcLLPKLDE LRDEGKASSA KQRLKcASLQ DATA SEQUENCE KFGERAFKAW AVARLSQRFP KAEFAEVSKL VTDLTKVHTE ccHGDLLEcA DATA SEQUENCE DDRADLAKYI cENQDSISSK LKEccEKPLL EKSHcIAEVE NDEMPADLPS DATA SEQUENCE LAADFVESKD VcKNYAEAKD VFLGMFLYEY ARRHPDYSVV LLLRLAKTYE DATA SEQUENCE TTLEKccAAA DPHEcYAKVF DEFKPLVEEP QNLIKQNcEL FEQLGEYKFQ DATA SEQUENCE NALLVRYTKK VPQVSTPTLV EVSRNLGKVG SKccKHPEAK RMPcAEDYLS DATA SEQUENCE VVLNQLcVLH EKTPVSDRVT KccTESLVNR RPcFSALEVD ETYVPKEFNA DATA SEQUENCE ETFTFHADIc TLSEKERQIK KQTALVELVK HKPKATKEQL KAVMDDFAAF DATA SEQUENCE VEKccKADDK ETcFA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.674 174.600 0.124 0.000 1.055 5 S CA 0.000 58.257 58.200 0.095 0.000 1.107 5 S CB 0.000 63.256 63.200 0.094 0.000 0.593 6 E N 2.220 122.513 120.200 0.154 0.000 2.244 6 E HA 0.194 4.554 4.350 0.016 0.000 0.196 6 E C 1.723 178.466 176.600 0.239 0.000 0.939 6 E CA 1.489 58.005 56.400 0.193 0.000 0.884 6 E CB -0.178 29.615 29.700 0.155 0.000 0.850 6 E HN 0.484 nan 8.360 nan 0.000 0.481 7 V N 1.401 121.460 119.914 0.242 0.000 2.332 7 V HA -0.284 3.845 4.120 0.016 0.000 0.248 7 V C 2.401 178.645 176.094 0.249 0.000 1.055 7 V CA 1.983 64.464 62.300 0.302 0.000 1.038 7 V CB -1.206 30.810 31.823 0.322 0.000 0.651 7 V HN 0.375 nan 8.190 nan 0.000 0.450 8 A N 0.053 122.979 122.820 0.177 0.000 1.855 8 A HA -0.281 4.049 4.320 0.016 0.000 0.215 8 A C 2.180 179.877 177.584 0.188 0.000 1.191 8 A CA 2.143 54.252 52.037 0.120 0.000 0.613 8 A CB -0.972 18.068 19.000 0.067 0.000 0.829 8 A HN 0.732 nan 8.150 nan 0.000 0.442 9 H N 0.137 119.269 119.070 0.104 0.000 2.325 9 H HA -0.180 4.392 4.556 0.026 0.000 0.293 9 H C 2.122 177.525 175.328 0.124 0.000 1.106 9 H CA 2.451 58.557 56.048 0.097 0.000 1.247 9 H CB -0.046 29.765 29.762 0.081 0.000 1.359 9 H HN 0.291 nan 8.280 nan 0.000 0.488 10 R N -0.602 119.894 120.500 -0.005 0.000 2.062 10 R HA -0.099 4.250 4.340 0.016 0.000 0.229 10 R C 2.473 178.836 176.300 0.104 0.000 1.128 10 R CA 1.217 57.302 56.100 -0.025 0.000 0.960 10 R CB -1.476 28.919 30.300 0.158 0.000 0.855 10 R HN 0.393 nan 8.270 nan 0.000 0.432 11 F N 2.565 122.510 119.950 -0.008 0.000 2.120 11 F HA -0.229 4.323 4.527 0.043 0.000 0.300 11 F C 2.042 177.784 175.800 -0.096 0.000 1.095 11 F CA 1.681 59.561 58.000 -0.200 0.000 1.249 11 F CB -0.030 38.685 39.000 -0.475 0.000 0.995 11 F HN -0.062 nan 8.300 nan 0.000 0.480 12 K N -0.220 120.310 120.400 0.218 0.000 2.026 12 K HA -0.176 4.154 4.320 0.016 0.000 0.208 12 K C 1.761 178.388 176.600 0.045 0.000 1.048 12 K CA 1.697 58.072 56.287 0.147 0.000 0.929 12 K CB -0.369 32.208 32.500 0.128 0.000 0.713 12 K HN 0.298 nan 8.250 nan 0.000 0.439 13 D N 0.860 121.253 120.400 -0.011 0.000 2.123 13 D HA -0.086 4.564 4.640 0.016 0.000 0.200 13 D C 1.927 178.204 176.300 -0.038 0.000 0.976 13 D CA 1.026 55.005 54.000 -0.035 0.000 0.831 13 D CB -0.054 40.685 40.800 -0.102 0.000 0.974 13 D HN 0.144 nan 8.370 nan 0.000 0.469 14 L N 0.004 121.195 121.223 -0.053 0.000 2.418 14 L HA 0.194 4.544 4.340 0.016 0.000 0.218 14 L C 1.065 177.876 176.870 -0.098 0.000 1.125 14 L CA 0.223 55.030 54.840 -0.055 0.000 0.835 14 L CB -0.396 41.648 42.059 -0.024 0.000 0.953 14 L HN 0.046 nan 8.230 nan 0.000 0.454 15 G N 0.764 109.464 108.800 -0.168 0.000 2.731 15 G HA2 -0.275 3.695 3.960 0.016 0.000 0.686 15 G HA3 -0.275 3.695 3.960 0.016 0.000 0.686 15 G C 0.357 174.998 174.900 -0.432 0.000 1.395 15 G CA 0.127 45.099 45.100 -0.215 0.000 0.870 15 G HN 0.326 nan 8.290 nan 0.000 0.591 16 E N 0.070 119.968 120.200 -0.503 0.000 2.049 16 E HA -0.217 4.143 4.350 0.016 0.000 0.198 16 E C 2.036 178.535 176.600 -0.170 0.000 1.007 16 E CA 1.827 57.906 56.400 -0.535 0.000 0.809 16 E CB -0.126 29.528 29.700 -0.077 0.000 0.749 16 E HN 0.715 nan 8.360 nan 0.000 0.450 17 E N 0.007 120.161 120.200 -0.076 0.000 2.048 17 E HA -0.272 4.088 4.350 0.016 0.000 0.202 17 E C 2.009 178.599 176.600 -0.016 0.000 1.021 17 E CA 1.768 58.158 56.400 -0.016 0.000 0.825 17 E CB -0.062 29.637 29.700 -0.000 0.000 0.756 17 E HN 0.278 nan 8.360 nan 0.000 0.454 18 N N 0.036 118.715 118.700 -0.035 0.000 2.120 18 N HA -0.181 4.568 4.740 0.016 0.000 0.188 18 N C 1.735 177.214 175.510 -0.051 0.000 1.024 18 N CA 1.147 54.175 53.050 -0.037 0.000 0.852 18 N CB -0.653 37.811 38.487 -0.038 0.000 1.003 18 N HN 0.221 nan 8.380 nan 0.000 0.424 19 F N 2.452 122.269 119.950 -0.222 0.000 2.120 19 F HA -0.186 4.346 4.527 0.009 0.000 0.300 19 F C 2.007 177.717 175.800 -0.150 0.000 1.095 19 F CA 1.539 59.404 58.000 -0.224 0.000 1.249 19 F CB 0.010 38.748 39.000 -0.437 0.000 0.995 19 F HN -0.049 nan 8.300 nan 0.000 0.480 20 K N 0.151 120.591 120.400 0.067 0.000 2.057 20 K HA -0.056 4.274 4.320 0.016 0.000 0.206 20 K C 2.360 178.891 176.600 -0.114 0.000 1.050 20 K CA 1.072 57.364 56.287 0.007 0.000 0.935 20 K CB -0.597 31.954 32.500 0.085 0.000 0.715 20 K HN 0.349 nan 8.250 nan 0.000 0.439 21 A N 1.913 124.682 122.820 -0.084 0.000 1.877 21 A HA -0.132 4.198 4.320 0.016 0.000 0.216 21 A C 2.213 179.700 177.584 -0.161 0.000 1.186 21 A CA 1.257 53.243 52.037 -0.085 0.000 0.620 21 A CB -0.747 18.227 19.000 -0.043 0.000 0.822 21 A HN 0.138 nan 8.150 nan 0.000 0.443 22 L N -0.413 120.686 121.223 -0.207 0.000 2.046 22 L HA -0.177 4.173 4.340 0.016 0.000 0.208 22 L C 2.529 179.200 176.870 -0.332 0.000 1.077 22 L CA 1.189 55.880 54.840 -0.249 0.000 0.747 22 L CB -0.579 41.332 42.059 -0.247 0.000 0.896 22 L HN 0.261 nan 8.230 nan 0.000 0.432 23 V N -0.198 119.434 119.914 -0.469 0.000 2.358 23 V HA -0.271 3.859 4.120 0.016 0.000 0.246 23 V C 2.356 178.055 176.094 -0.659 0.000 1.047 23 V CA 1.549 63.473 62.300 -0.626 0.000 1.035 23 V CB -0.486 30.841 31.823 -0.827 0.000 0.658 23 V HN 0.345 nan 8.190 nan 0.000 0.452 24 L N 0.157 121.142 121.223 -0.396 0.000 2.046 24 L HA -0.134 4.215 4.340 0.016 0.000 0.208 24 L C 2.162 178.909 176.870 -0.205 0.000 1.077 24 L CA 1.859 56.559 54.840 -0.233 0.000 0.747 24 L CB -0.584 41.424 42.059 -0.085 0.000 0.896 24 L HN 0.223 nan 8.230 nan 0.000 0.432 25 I N -0.281 120.161 120.570 -0.213 0.000 2.179 25 I HA -0.300 3.880 4.170 0.016 0.000 0.242 25 I C 2.650 178.630 176.117 -0.229 0.000 1.088 25 I CA 1.210 62.389 61.300 -0.203 0.000 1.357 25 I CB -0.726 37.157 38.000 -0.195 0.000 1.051 25 I HN 0.382 nan 8.210 nan 0.000 0.409 26 A N 1.105 123.761 122.820 -0.273 0.000 1.892 26 A HA -0.243 4.086 4.320 0.016 0.000 0.218 26 A C 2.090 179.603 177.584 -0.118 0.000 1.188 26 A CA 1.889 53.756 52.037 -0.283 0.000 0.631 26 A CB -0.923 17.940 19.000 -0.229 0.000 0.822 26 A HN 0.343 nan 8.150 nan 0.000 0.447 27 F N -0.195 119.677 119.950 -0.130 0.000 2.163 27 F HA 0.032 4.577 4.527 0.031 0.000 0.297 27 F C 2.862 178.514 175.800 -0.246 0.000 1.094 27 F CA 0.192 58.142 58.000 -0.084 0.000 1.290 27 F CB -1.318 37.667 39.000 -0.024 0.000 1.017 27 F HN 0.275 nan 8.300 nan 0.000 0.483 28 A N -0.386 122.288 122.820 -0.243 0.000 2.024 28 A HA -0.208 4.121 4.320 0.016 0.000 0.220 28 A C 2.120 179.619 177.584 -0.141 0.000 1.164 28 A CA 1.511 53.363 52.037 -0.307 0.000 0.643 28 A CB -0.719 18.127 19.000 -0.258 0.000 0.806 28 A HN 0.490 nan 8.150 nan 0.000 0.451 29 Q N -2.220 117.496 119.800 -0.141 0.000 2.269 29 Q HA -0.052 4.297 4.340 0.016 0.000 0.201 29 Q C 1.482 177.474 176.000 -0.013 0.000 0.946 29 Q CA 0.893 56.606 55.803 -0.150 0.000 0.877 29 Q CB -0.083 28.491 28.738 -0.273 0.000 0.963 29 Q HN 0.780 nan 8.270 nan 0.000 0.472 30 Y N 0.008 120.316 120.300 0.014 0.000 2.420 30 Y HA 0.118 4.684 4.550 0.025 0.000 0.292 30 Y C 0.723 176.689 175.900 0.111 0.000 1.119 30 Y CA 0.411 58.544 58.100 0.055 0.000 1.229 30 Y CB 0.581 39.036 38.460 -0.007 0.000 1.026 30 Y HN -0.052 nan 8.280 nan 0.000 0.554 31 L N 0.682 122.077 121.223 0.287 0.000 2.462 31 L HA 0.278 4.628 4.340 0.016 0.000 0.255 31 L C 0.527 177.547 176.870 0.250 0.000 1.076 31 L CA -0.118 54.883 54.840 0.269 0.000 0.920 31 L CB 1.338 43.581 42.059 0.307 0.000 1.214 31 L HN -0.064 nan 8.230 nan 0.000 0.472 32 Q N -0.699 119.188 119.800 0.145 0.000 2.488 32 Q HA -0.104 4.246 4.340 0.016 0.000 0.211 32 Q C 1.587 177.642 176.000 0.092 0.000 0.967 32 Q CA 0.779 56.622 55.803 0.067 0.000 0.926 32 Q CB 0.276 29.020 28.738 0.009 0.000 0.992 32 Q HN 0.577 nan 8.270 nan 0.000 0.506 33 Q N -1.102 118.777 119.800 0.132 0.000 2.392 33 Q HA 0.096 4.445 4.340 0.016 0.000 0.219 33 Q C 0.746 176.833 176.000 0.145 0.000 0.895 33 Q CA -0.019 55.852 55.803 0.114 0.000 0.929 33 Q CB 0.375 29.160 28.738 0.078 0.000 1.077 33 Q HN 0.441 nan 8.270 nan 0.000 0.532 34 C N 2.662 122.065 119.300 0.171 0.000 2.662 34 C HA 0.279 4.749 4.460 0.016 0.000 0.420 34 C C -1.830 173.260 174.990 0.165 0.000 1.314 34 C CA -1.252 57.807 59.018 0.069 0.000 1.963 34 C CB 0.119 27.764 27.740 -0.159 0.000 2.686 34 C HN 0.405 nan 8.230 nan 0.000 0.609 35 P HA -0.004 nan 4.420 nan 0.000 0.269 35 P C 0.565 177.864 177.300 -0.002 0.000 1.217 35 P CA -0.025 63.119 63.100 0.074 0.000 0.783 35 P CB 0.258 31.958 31.700 0.001 0.000 0.898 36 F N 2.687 122.403 119.950 -0.389 0.000 2.051 36 F HA -0.236 4.297 4.527 0.010 0.000 0.296 36 F C 2.049 177.677 175.800 -0.286 0.000 1.122 36 F CA 1.852 59.404 58.000 -0.746 0.000 1.201 36 F CB -0.746 37.790 39.000 -0.774 0.000 0.978 36 F HN 0.343 nan 8.300 nan 0.000 0.472 37 E N 0.489 120.519 120.200 -0.282 0.000 2.068 37 E HA -0.324 4.036 4.350 0.016 0.000 0.207 37 E C 1.823 178.257 176.600 -0.276 0.000 1.032 37 E CA 2.121 58.331 56.400 -0.318 0.000 0.839 37 E CB -1.489 28.135 29.700 -0.127 0.000 0.758 37 E HN 0.466 nan 8.360 nan 0.000 0.457 38 D N 0.386 120.657 120.400 -0.214 0.000 2.172 38 D HA -0.174 4.475 4.640 0.016 0.000 0.196 38 D C 1.995 178.159 176.300 -0.227 0.000 0.999 38 D CA 1.537 55.404 54.000 -0.222 0.000 0.856 38 D CB -0.243 40.403 40.800 -0.257 0.000 0.934 38 D HN 0.333 nan 8.370 nan 0.000 0.453 39 H N -0.350 118.637 119.070 -0.138 0.000 2.326 39 H HA -0.015 4.553 4.556 0.021 0.000 0.301 39 H C 2.379 177.659 175.328 -0.080 0.000 1.081 39 H CA 0.805 56.825 56.048 -0.048 0.000 1.334 39 H CB -0.493 29.296 29.762 0.045 0.000 1.385 39 H HN 0.069 nan 8.280 nan 0.000 0.504 40 V N 1.483 121.306 119.914 -0.153 0.000 2.282 40 V HA -0.311 3.819 4.120 0.016 0.000 0.249 40 V C 2.932 178.977 176.094 -0.082 0.000 1.057 40 V CA 2.862 65.045 62.300 -0.195 0.000 1.032 40 V CB -1.078 30.509 31.823 -0.394 0.000 0.645 40 V HN 0.559 nan 8.190 nan 0.000 0.447 41 K N 0.123 120.465 120.400 -0.097 0.000 2.044 41 K HA -0.200 4.129 4.320 0.016 0.000 0.210 41 K C 2.060 178.652 176.600 -0.013 0.000 1.049 41 K CA 2.302 58.554 56.287 -0.059 0.000 0.927 41 K CB -1.176 31.276 32.500 -0.080 0.000 0.713 41 K HN 0.550 nan 8.250 nan 0.000 0.443 42 L N 0.482 121.708 121.223 0.004 0.000 2.083 42 L HA -0.169 4.180 4.340 0.016 0.000 0.209 42 L C 2.637 179.621 176.870 0.191 0.000 1.083 42 L CA 1.015 55.887 54.840 0.053 0.000 0.752 42 L CB -0.605 41.429 42.059 -0.042 0.000 0.899 42 L HN 0.252 nan 8.230 nan 0.000 0.433 43 V N 0.119 120.143 119.914 0.183 0.000 2.216 43 V HA -0.288 3.841 4.120 0.016 0.000 0.243 43 V C 2.233 178.371 176.094 0.073 0.000 1.044 43 V CA 2.059 64.406 62.300 0.079 0.000 0.995 43 V CB -0.769 31.056 31.823 0.004 0.000 0.633 43 V HN 0.486 nan 8.190 nan 0.000 0.446 44 N N 0.101 118.836 118.700 0.058 0.000 2.096 44 N HA -0.266 4.483 4.740 0.016 0.000 0.195 44 N C 1.788 177.349 175.510 0.085 0.000 1.017 44 N CA 2.063 55.154 53.050 0.068 0.000 0.870 44 N CB -0.351 38.156 38.487 0.033 0.000 1.024 44 N HN 0.637 nan 8.380 nan 0.000 0.434 45 E N 0.422 120.664 120.200 0.070 0.000 2.023 45 E HA -0.118 4.242 4.350 0.016 0.000 0.196 45 E C 2.137 178.811 176.600 0.125 0.000 1.003 45 E CA 1.143 57.591 56.400 0.080 0.000 0.809 45 E CB -0.029 29.698 29.700 0.045 0.000 0.755 45 E HN 0.077 nan 8.360 nan 0.000 0.449 46 V N 1.129 121.100 119.914 0.096 0.000 2.332 46 V HA -0.269 3.861 4.120 0.016 0.000 0.248 46 V C 2.300 178.548 176.094 0.256 0.000 1.055 46 V CA 2.164 64.522 62.300 0.096 0.000 1.038 46 V CB -0.783 31.003 31.823 -0.062 0.000 0.651 46 V HN 0.354 nan 8.190 nan 0.000 0.450 47 T N -0.716 114.004 114.554 0.276 0.000 2.746 47 T HA -0.157 4.203 4.350 0.016 0.000 0.267 47 T C 1.913 176.721 174.700 0.180 0.000 1.039 47 T CA 1.356 63.672 62.100 0.360 0.000 1.142 47 T CB -0.206 68.856 68.868 0.323 0.000 0.866 47 T HN 0.422 nan 8.240 nan 0.000 0.444 48 E N 0.770 121.051 120.200 0.136 0.000 2.028 48 E HA -0.007 4.353 4.350 0.016 0.000 0.191 48 E C 1.837 178.464 176.600 0.045 0.000 0.988 48 E CA 0.637 57.070 56.400 0.056 0.000 0.799 48 E CB -0.694 29.038 29.700 0.053 0.000 0.755 48 E HN 0.478 nan 8.360 nan 0.000 0.447 49 F N 1.673 121.612 119.950 -0.019 0.000 2.147 49 F HA -0.280 4.255 4.527 0.014 0.000 0.301 49 F C 2.104 177.867 175.800 -0.060 0.000 1.084 49 F CA 1.636 59.623 58.000 -0.022 0.000 1.268 49 F CB -0.267 38.744 39.000 0.019 0.000 1.009 49 F HN 0.009 nan 8.300 nan 0.000 0.486 50 A N -0.253 122.690 122.820 0.205 0.000 1.929 50 A HA -0.137 4.193 4.320 0.016 0.000 0.216 50 A C 2.231 179.601 177.584 -0.356 0.000 1.176 50 A CA 1.417 53.450 52.037 -0.007 0.000 0.628 50 A CB -0.556 18.397 19.000 -0.078 0.000 0.816 50 A HN 0.427 nan 8.150 nan 0.000 0.444 51 K N -0.312 119.814 120.400 -0.456 0.000 2.147 51 K HA -0.137 4.193 4.320 0.016 0.000 0.205 51 K C 2.287 178.687 176.600 -0.333 0.000 1.049 51 K CA 1.794 57.761 56.287 -0.533 0.000 0.936 51 K CB -0.369 31.902 32.500 -0.383 0.000 0.722 51 K HN 0.740 nan 8.250 nan 0.000 0.446 52 T N -1.016 113.373 114.554 -0.275 0.000 2.737 52 T HA -0.159 4.201 4.350 0.016 0.000 0.265 52 T C 2.225 176.784 174.700 -0.234 0.000 1.038 52 T CA 1.346 63.293 62.100 -0.255 0.000 1.144 52 T CB -0.768 67.901 68.868 -0.331 0.000 0.866 52 T HN 0.230 nan 8.240 nan 0.000 0.434 53 c N 1.235 119.694 118.600 -0.235 0.000 2.422 53 c HA 0.140 4.719 4.570 0.016 0.000 0.286 53 c C 2.851 176.870 174.090 -0.119 0.000 1.412 53 c CA 0.114 56.361 56.329 -0.137 0.000 1.786 53 c CB -1.372 41.123 42.510 -0.026 0.000 1.835 53 c HN 0.496 nan 8.230 nan 0.000 0.533 54 V N 0.763 120.561 119.914 -0.193 0.000 2.591 54 V HA -0.059 4.070 4.120 0.016 0.000 0.249 54 V C 2.508 178.528 176.094 -0.124 0.000 1.053 54 V CA 1.984 64.179 62.300 -0.175 0.000 1.068 54 V CB -0.805 30.831 31.823 -0.311 0.000 0.689 54 V HN 0.584 nan 8.190 nan 0.000 0.462 55 A N -0.019 122.719 122.820 -0.137 0.000 1.887 55 A HA 0.138 4.468 4.320 0.016 0.000 0.212 55 A C 1.438 178.973 177.584 -0.081 0.000 1.198 55 A CA 1.138 53.113 52.037 -0.102 0.000 0.628 55 A CB -0.521 18.412 19.000 -0.111 0.000 0.847 55 A HN 0.542 nan 8.150 nan 0.000 0.449 56 D N -0.403 119.940 120.400 -0.095 0.000 2.477 56 D HA 0.503 5.153 4.640 0.016 0.000 0.239 56 D C 0.554 176.816 176.300 -0.062 0.000 1.102 56 D CA 0.491 54.446 54.000 -0.076 0.000 0.901 56 D CB -0.006 40.740 40.800 -0.090 0.000 1.026 56 D HN 0.572 nan 8.370 nan 0.000 0.515 57 E N -0.207 119.970 120.200 -0.037 0.000 2.463 57 E HA -0.015 4.345 4.350 0.016 0.000 0.201 57 E C 1.772 178.368 176.600 -0.005 0.000 1.045 57 E CA 1.478 57.869 56.400 -0.014 0.000 0.872 57 E CB -0.485 29.214 29.700 -0.003 0.000 0.797 57 E HN 0.874 nan 8.360 nan 0.000 0.538 58 S N -1.980 113.710 115.700 -0.017 0.000 2.650 58 S HA 0.682 5.162 4.470 0.016 0.000 0.240 58 S C 1.216 175.804 174.600 -0.021 0.000 1.007 58 S CA 0.257 58.452 58.200 -0.009 0.000 0.984 58 S CB 0.224 63.419 63.200 -0.009 0.000 0.910 58 S HN 0.823 nan 8.310 nan 0.000 0.509 59 A N 1.827 124.618 122.820 -0.048 0.000 2.407 59 A HA 0.523 4.853 4.320 0.016 0.000 0.257 59 A C 0.732 178.286 177.584 -0.050 0.000 1.131 59 A CA 0.317 52.305 52.037 -0.081 0.000 0.803 59 A CB -0.813 18.089 19.000 -0.163 0.000 1.083 59 A HN 0.881 nan 8.150 nan 0.000 0.512 60 E N 0.025 120.185 120.200 -0.067 0.000 2.384 60 E HA 0.324 4.684 4.350 0.016 0.000 0.266 60 E C 0.617 177.284 176.600 0.112 0.000 1.012 60 E CA 0.089 56.494 56.400 0.009 0.000 0.901 60 E CB -0.351 29.353 29.700 0.007 0.000 0.967 60 E HN 0.747 nan 8.360 nan 0.000 0.435 61 N N 0.160 118.968 118.700 0.180 0.000 2.765 61 N HA -0.242 4.508 4.740 0.016 0.000 0.248 61 N C 0.993 176.712 175.510 0.347 0.000 1.063 61 N CA 1.289 54.511 53.050 0.287 0.000 0.862 61 N CB -2.023 36.717 38.487 0.422 0.000 1.145 61 N HN 0.698 nan 8.380 nan 0.000 0.581 62 c N -0.341 118.412 118.600 0.256 0.000 2.491 62 c HA 0.025 4.604 4.570 0.016 0.000 0.277 62 c C 2.280 176.472 174.090 0.169 0.000 1.455 62 c CA 0.924 57.399 56.329 0.243 0.000 1.758 62 c CB -1.508 41.071 42.510 0.115 0.000 1.745 62 c HN 0.670 nan 8.230 nan 0.000 0.558 63 D N 0.434 120.916 120.400 0.136 0.000 2.348 63 D HA 0.023 4.672 4.640 0.016 0.000 0.211 63 D C 1.207 177.570 176.300 0.105 0.000 0.998 63 D CA 0.447 54.507 54.000 0.101 0.000 0.873 63 D CB -0.001 40.845 40.800 0.077 0.000 0.925 63 D HN 0.405 nan 8.370 nan 0.000 0.524 64 K N 0.707 121.182 120.400 0.125 0.000 2.185 64 K HA 0.289 4.618 4.320 0.016 0.000 0.245 64 K C 0.736 177.403 176.600 0.111 0.000 1.035 64 K CA 0.313 56.666 56.287 0.109 0.000 0.847 64 K CB 0.629 33.188 32.500 0.099 0.000 1.056 64 K HN 0.489 nan 8.250 nan 0.000 0.518 65 S N -0.723 115.041 115.700 0.108 0.000 2.537 65 S HA 0.305 4.785 4.470 0.016 0.000 0.301 65 S C 1.471 176.134 174.600 0.104 0.000 1.092 65 S CA -0.899 57.362 58.200 0.102 0.000 1.048 65 S CB 0.998 64.266 63.200 0.114 0.000 1.053 65 S HN 0.485 nan 8.310 nan 0.000 0.501 66 L N 0.827 122.071 121.223 0.034 0.000 2.081 66 L HA -0.169 4.181 4.340 0.016 0.000 0.212 66 L C 2.600 179.445 176.870 -0.043 0.000 1.080 66 L CA 1.401 56.229 54.840 -0.021 0.000 0.754 66 L CB -0.845 41.017 42.059 -0.329 0.000 0.893 66 L HN 0.782 nan 8.230 nan 0.000 0.433 67 H N -0.185 118.877 119.070 -0.012 0.000 2.353 67 H HA -0.122 4.445 4.556 0.019 0.000 0.300 67 H C 2.414 177.802 175.328 0.101 0.000 1.090 67 H CA 2.011 58.074 56.048 0.025 0.000 1.327 67 H CB -0.449 29.337 29.762 0.041 0.000 1.383 67 H HN 0.346 nan 8.280 nan 0.000 0.508 68 T N 1.589 116.275 114.554 0.221 0.000 2.737 68 T HA -0.068 4.292 4.350 0.016 0.000 0.265 68 T C 2.515 177.294 174.700 0.131 0.000 1.038 68 T CA 0.831 63.020 62.100 0.148 0.000 1.144 68 T CB -0.393 68.540 68.868 0.108 0.000 0.866 68 T HN 0.133 nan 8.240 nan 0.000 0.434 69 L N -0.218 121.100 121.223 0.157 0.000 1.955 69 L HA -0.058 4.292 4.340 0.016 0.000 0.213 69 L C 2.442 179.415 176.870 0.173 0.000 1.072 69 L CA 1.543 56.439 54.840 0.094 0.000 0.755 69 L CB -0.790 41.321 42.059 0.087 0.000 0.888 69 L HN 0.143 nan 8.230 nan 0.000 0.432 70 F N 0.547 120.542 119.950 0.075 0.000 2.154 70 F HA -0.187 4.344 4.527 0.007 0.000 0.301 70 F C 2.474 178.274 175.800 -0.000 0.000 1.087 70 F CA 1.391 59.508 58.000 0.194 0.000 1.274 70 F CB -1.498 37.677 39.000 0.292 0.000 1.009 70 F HN 0.061 nan 8.300 nan 0.000 0.485 71 G N -0.302 108.608 108.800 0.184 0.000 2.453 71 G HA2 -0.237 3.733 3.960 0.016 0.000 0.215 71 G HA3 -0.237 3.733 3.960 0.016 0.000 0.215 71 G C 1.510 176.381 174.900 -0.048 0.000 1.201 71 G CA 1.120 46.217 45.100 -0.004 0.000 0.784 71 G HN 0.247 nan 8.290 nan 0.000 0.545 72 D N 0.718 121.113 120.400 -0.008 0.000 2.106 72 D HA -0.109 4.541 4.640 0.016 0.000 0.191 72 D C 2.531 178.775 176.300 -0.093 0.000 0.997 72 D CA 0.970 54.948 54.000 -0.036 0.000 0.834 72 D CB -0.102 40.680 40.800 -0.030 0.000 0.956 72 D HN 0.073 nan 8.370 nan 0.000 0.448 73 K N 0.814 121.135 120.400 -0.132 0.000 2.020 73 K HA -0.111 4.218 4.320 0.016 0.000 0.212 73 K C 2.436 178.860 176.600 -0.293 0.000 1.050 73 K CA 0.532 56.694 56.287 -0.208 0.000 0.929 73 K CB -0.959 31.392 32.500 -0.250 0.000 0.714 73 K HN 0.272 nan 8.250 nan 0.000 0.443 74 L N 0.327 121.310 121.223 -0.400 0.000 2.261 74 L HA -0.206 4.143 4.340 0.016 0.000 0.216 74 L C 2.246 178.985 176.870 -0.218 0.000 1.114 74 L CA 0.614 55.201 54.840 -0.423 0.000 0.777 74 L CB -0.383 41.339 42.059 -0.561 0.000 0.910 74 L HN 0.154 nan 8.230 nan 0.000 0.440 75 c N -0.808 117.710 118.600 -0.137 0.000 2.626 75 c HA 0.045 4.625 4.570 0.016 0.000 0.266 75 c C 1.840 175.896 174.090 -0.057 0.000 1.317 75 c CA 0.230 56.533 56.329 -0.044 0.000 1.716 75 c CB -1.164 41.347 42.510 0.001 0.000 1.819 75 c HN 0.568 nan 8.230 nan 0.000 0.578 90 c N 1.159 119.579 118.600 -0.299 0.000 2.500 90 c HA 0.075 4.654 4.570 0.016 0.000 0.279 90 c C 2.923 176.822 174.090 -0.318 0.000 1.288 90 c CA 1.217 57.240 56.329 -0.509 0.000 1.710 90 c CB -0.896 41.006 42.510 -1.013 0.000 2.052 90 c HN 0.645 nan 8.230 nan 0.000 0.488 91 c N 0.916 119.424 118.600 -0.154 0.000 2.440 91 c HA 0.006 4.586 4.570 0.016 0.000 0.278 91 c C 2.852 176.920 174.090 -0.037 0.000 1.295 91 c CA 0.981 57.298 56.329 -0.019 0.000 1.738 91 c CB -1.546 40.982 42.510 0.030 0.000 1.987 91 c HN 0.690 nan 8.230 nan 0.000 0.492 92 A N 0.141 122.926 122.820 -0.057 0.000 2.277 92 A HA -0.039 4.291 4.320 0.016 0.000 0.208 92 A C 0.847 178.404 177.584 -0.046 0.000 1.202 92 A CA 1.162 53.173 52.037 -0.044 0.000 0.762 92 A CB -0.333 18.639 19.000 -0.045 0.000 0.770 92 A HN 0.756 nan 8.150 nan 0.000 0.487 93 K N -1.424 118.940 120.400 -0.059 0.000 2.312 93 K HA 0.627 4.957 4.320 0.016 0.000 0.236 93 K C -0.503 176.079 176.600 -0.031 0.000 1.079 93 K CA -0.685 55.569 56.287 -0.055 0.000 0.900 93 K CB 0.969 33.416 32.500 -0.089 0.000 1.297 93 K HN 0.271 nan 8.250 nan 0.000 0.498 94 Q N 0.394 120.180 119.800 -0.023 0.000 2.484 94 Q HA 0.213 4.563 4.340 0.016 0.000 0.285 94 Q C -1.375 174.625 176.000 -0.001 0.000 1.097 94 Q CA -0.982 54.820 55.803 -0.002 0.000 0.802 94 Q CB 2.115 30.855 28.738 0.004 0.000 1.444 94 Q HN 0.314 nan 8.270 nan 0.000 0.429 95 E N 2.474 122.685 120.200 0.018 0.000 2.465 95 E HA -0.035 4.325 4.350 0.016 0.000 0.260 95 E C -1.674 174.932 176.600 0.011 0.000 0.980 95 E CA -0.648 55.763 56.400 0.019 0.000 0.927 95 E CB 0.577 30.306 29.700 0.048 0.000 0.934 95 E HN 0.292 nan 8.360 nan 0.000 0.459 96 P HA 0.074 nan 4.420 nan 0.000 0.252 96 P C 0.136 177.416 177.300 -0.034 0.000 1.218 96 P CA 0.211 63.300 63.100 -0.019 0.000 0.807 96 P CB 0.643 32.338 31.700 -0.008 0.000 1.072 97 E N 0.953 121.134 120.200 -0.032 0.000 2.097 97 E HA -0.198 4.161 4.350 0.016 0.000 0.196 97 E C 2.245 178.792 176.600 -0.089 0.000 1.000 97 E CA 1.120 57.489 56.400 -0.051 0.000 0.804 97 E CB -0.745 28.926 29.700 -0.048 0.000 0.740 97 E HN 0.202 nan 8.360 nan 0.000 0.454 98 R N 0.837 121.290 120.500 -0.078 0.000 2.096 98 R HA -0.141 4.208 4.340 0.016 0.000 0.235 98 R C 1.947 178.200 176.300 -0.077 0.000 1.127 98 R CA 1.584 57.621 56.100 -0.104 0.000 0.968 98 R CB -0.300 29.997 30.300 -0.004 0.000 0.861 98 R HN 0.289 nan 8.270 nan 0.000 0.440 99 N N 0.209 118.894 118.700 -0.024 0.000 2.173 99 N HA -0.129 4.620 4.740 0.016 0.000 0.184 99 N C 1.030 176.509 175.510 -0.052 0.000 1.025 99 N CA 0.826 53.867 53.050 -0.014 0.000 0.852 99 N CB 0.052 38.389 38.487 -0.250 0.000 0.998 99 N HN 0.182 nan 8.380 nan 0.000 0.427 100 E N 0.776 120.942 120.200 -0.056 0.000 2.333 100 E HA -0.161 4.199 4.350 0.016 0.000 0.200 100 E C 1.934 178.495 176.600 -0.064 0.000 1.010 100 E CA 0.221 56.611 56.400 -0.017 0.000 0.841 100 E CB -0.681 29.015 29.700 -0.005 0.000 0.757 100 E HN 0.438 nan 8.360 nan 0.000 0.508 101 c N -0.307 118.165 118.600 -0.213 0.000 2.489 101 c HA -0.103 4.476 4.570 0.016 0.000 0.279 101 c C 2.461 176.279 174.090 -0.454 0.000 1.266 101 c CA 0.227 56.317 56.329 -0.400 0.000 1.707 101 c CB -1.207 40.881 42.510 -0.704 0.000 2.059 101 c HN 0.314 nan 8.230 nan 0.000 0.481 102 F N 0.971 120.736 119.950 -0.309 0.000 2.171 102 F HA -0.047 4.491 4.527 0.019 0.000 0.300 102 F C 2.263 178.029 175.800 -0.056 0.000 1.090 102 F CA 1.307 59.108 58.000 -0.333 0.000 1.293 102 F CB -0.878 37.612 39.000 -0.850 0.000 1.013 102 F HN 0.165 nan 8.300 nan 0.000 0.486 103 L N -0.469 120.848 121.223 0.157 0.000 2.083 103 L HA -0.252 4.098 4.340 0.016 0.000 0.209 103 L C 2.695 179.684 176.870 0.198 0.000 1.083 103 L CA 1.562 56.542 54.840 0.234 0.000 0.752 103 L CB -0.571 41.599 42.059 0.187 0.000 0.899 103 L HN 0.164 nan 8.230 nan 0.000 0.433 104 Q N -1.451 118.448 119.800 0.165 0.000 2.435 104 Q HA -0.160 4.189 4.340 0.016 0.000 0.207 104 Q C 1.414 177.537 176.000 0.205 0.000 0.956 104 Q CA 0.883 56.788 55.803 0.170 0.000 0.917 104 Q CB -0.364 28.457 28.738 0.139 0.000 0.997 104 Q HN 0.666 nan 8.270 nan 0.000 0.497 105 H N -0.449 118.635 119.070 0.023 0.000 2.549 105 H HA 0.415 4.980 4.556 0.015 0.000 0.279 105 H C 0.088 175.458 175.328 0.070 0.000 1.018 105 H CA -0.144 55.919 56.048 0.025 0.000 1.175 105 H CB 0.355 30.109 29.762 -0.013 0.000 1.485 105 H HN 0.257 nan 8.280 nan 0.000 0.543 106 K N 1.473 121.988 120.400 0.192 0.000 2.412 106 K HA -0.008 4.322 4.320 0.016 0.000 0.281 106 K C -0.269 176.406 176.600 0.124 0.000 1.027 106 K CA 0.154 56.516 56.287 0.124 0.000 0.989 106 K CB 0.541 33.039 32.500 -0.003 0.000 0.935 106 K HN 0.184 nan 8.250 nan 0.000 0.475 107 D N 2.317 122.768 120.400 0.085 0.000 2.233 107 D HA 0.067 4.716 4.640 0.016 0.000 0.240 107 D C -0.199 176.144 176.300 0.071 0.000 1.074 107 D CA -0.268 53.770 54.000 0.063 0.000 0.838 107 D CB 1.186 42.002 40.800 0.027 0.000 1.124 107 D HN 0.447 nan 8.370 nan 0.000 0.475 108 D N 2.414 122.862 120.400 0.079 0.000 2.340 108 D HA -0.008 4.641 4.640 0.016 0.000 0.220 108 D C 0.082 176.376 176.300 -0.009 0.000 1.039 108 D CA 0.448 54.486 54.000 0.065 0.000 0.866 108 D CB 0.397 41.232 40.800 0.058 0.000 0.913 108 D HN 0.459 nan 8.370 nan 0.000 0.523 109 N N 0.719 119.407 118.700 -0.021 0.000 2.666 109 N HA 0.129 4.879 4.740 0.016 0.000 0.253 109 N C -2.801 172.684 175.510 -0.042 0.000 1.621 109 N CA -0.933 52.091 53.050 -0.044 0.000 0.785 109 N CB 1.132 39.598 38.487 -0.035 0.000 1.332 109 N HN -0.190 nan 8.380 nan 0.000 0.514 110 P HA 0.098 nan 4.420 nan 0.000 0.269 110 P C 0.303 177.580 177.300 -0.039 0.000 1.217 110 P CA 0.302 63.380 63.100 -0.038 0.000 0.783 110 P CB 0.475 32.146 31.700 -0.048 0.000 0.898 111 N N 1.530 120.214 118.700 -0.026 0.000 2.410 111 N HA 0.101 4.850 4.740 0.016 0.000 0.231 111 N C 0.406 175.902 175.510 -0.022 0.000 1.172 111 N CA -0.164 52.872 53.050 -0.024 0.000 0.849 111 N CB -0.849 37.628 38.487 -0.016 0.000 1.116 111 N HN 0.270 nan 8.380 nan 0.000 0.485 112 L N 0.458 121.662 121.223 -0.032 0.000 2.426 112 L HA 0.305 4.654 4.340 0.016 0.000 0.271 112 L C -1.633 175.219 176.870 -0.030 0.000 1.169 112 L CA -1.575 53.247 54.840 -0.030 0.000 0.836 112 L CB 0.397 42.424 42.059 -0.053 0.000 1.112 112 L HN 0.243 nan 8.230 nan 0.000 0.465 113 P HA 0.044 nan 4.420 nan 0.000 0.266 113 P C -0.167 177.122 177.300 -0.018 0.000 1.186 113 P CA -0.119 62.974 63.100 -0.011 0.000 0.767 113 P CB 0.352 32.054 31.700 0.004 0.000 0.820 114 R N 2.237 122.727 120.500 -0.017 0.000 2.484 114 R HA 0.043 4.393 4.340 0.016 0.000 0.293 114 R C 0.086 176.383 176.300 -0.005 0.000 1.023 114 R CA -0.192 55.898 56.100 -0.016 0.000 1.037 114 R CB -1.080 29.210 30.300 -0.016 0.000 0.951 114 R HN 0.558 nan 8.270 nan 0.000 0.418 115 L N 4.382 125.602 121.223 -0.004 0.000 2.395 115 L HA 0.289 4.638 4.340 0.016 0.000 0.268 115 L C 0.142 177.028 176.870 0.027 0.000 1.223 115 L CA 0.058 54.902 54.840 0.006 0.000 1.093 115 L CB 0.639 42.694 42.059 -0.006 0.000 1.349 115 L HN 0.583 nan 8.230 nan 0.000 0.427 116 V N 4.374 124.307 119.914 0.031 0.000 2.743 116 V HA 0.616 4.746 4.120 0.016 0.000 0.301 116 V C -0.133 175.999 176.094 0.064 0.000 1.057 116 V CA -0.555 61.772 62.300 0.044 0.000 1.006 116 V CB 1.713 33.557 31.823 0.035 0.000 1.024 116 V HN 0.758 nan 8.190 nan 0.000 0.473 117 R N 4.207 124.754 120.500 0.079 0.000 2.343 117 R HA 0.718 5.067 4.340 0.016 0.000 0.320 117 R C -2.629 173.729 176.300 0.096 0.000 0.956 117 R CA -1.243 54.922 56.100 0.108 0.000 0.836 117 R CB -0.079 30.304 30.300 0.138 0.000 1.151 117 R HN 0.871 nan 8.270 nan 0.000 0.450 118 P HA 0.133 nan 4.420 nan 0.000 0.285 118 P C -0.367 176.986 177.300 0.088 0.000 1.282 118 P CA -0.538 62.614 63.100 0.087 0.000 0.778 118 P CB 0.357 32.111 31.700 0.090 0.000 1.222 119 E N -0.218 120.026 120.200 0.073 0.000 2.442 119 E HA -0.036 4.324 4.350 0.016 0.000 0.262 119 E C 1.520 178.168 176.600 0.080 0.000 1.004 119 E CA 0.113 56.552 56.400 0.065 0.000 0.928 119 E CB 0.322 30.053 29.700 0.052 0.000 0.937 119 E HN 0.069 nan 8.360 nan 0.000 0.446 120 V N 3.782 123.735 119.914 0.064 0.000 2.226 120 V HA -0.360 3.769 4.120 0.016 0.000 0.254 120 V C 1.682 177.826 176.094 0.084 0.000 1.065 120 V CA 2.345 64.683 62.300 0.063 0.000 1.039 120 V CB -0.391 31.445 31.823 0.023 0.000 0.653 120 V HN 0.648 nan 8.190 nan 0.000 0.450 121 D N -0.314 120.125 120.400 0.065 0.000 2.221 121 D HA -0.128 4.521 4.640 0.016 0.000 0.204 121 D C 2.121 178.470 176.300 0.081 0.000 0.982 121 D CA 1.446 55.489 54.000 0.072 0.000 0.857 121 D CB -0.136 40.696 40.800 0.053 0.000 0.934 121 D HN 0.394 nan 8.370 nan 0.000 0.475 122 V N 1.227 121.190 119.914 0.081 0.000 2.261 122 V HA -0.270 3.859 4.120 0.016 0.000 0.246 122 V C 2.600 178.753 176.094 0.097 0.000 1.047 122 V CA 1.447 63.796 62.300 0.082 0.000 1.015 122 V CB -0.404 31.469 31.823 0.083 0.000 0.642 122 V HN 0.190 nan 8.190 nan 0.000 0.446 123 M N -1.005 118.682 119.600 0.145 0.000 2.067 123 M HA -0.226 4.264 4.480 0.016 0.000 0.260 123 M C 2.486 178.804 176.300 0.030 0.000 1.069 123 M CA 2.055 57.467 55.300 0.187 0.000 1.117 123 M CB -0.866 31.976 32.600 0.403 0.000 1.334 123 M HN 0.411 nan 8.290 nan 0.000 0.407 124 c N 0.435 119.108 118.600 0.122 0.000 2.391 124 c HA -0.196 4.384 4.570 0.016 0.000 0.276 124 c C 2.915 177.048 174.090 0.071 0.000 1.217 124 c CA 1.675 58.068 56.329 0.106 0.000 1.766 124 c CB -1.226 41.383 42.510 0.165 0.000 2.046 124 c HN 0.595 nan 8.230 nan 0.000 0.475 125 T N 0.742 115.344 114.554 0.080 0.000 2.746 125 T HA -0.144 4.216 4.350 0.016 0.000 0.267 125 T C 2.009 176.703 174.700 -0.010 0.000 1.039 125 T CA 1.762 63.909 62.100 0.078 0.000 1.142 125 T CB -0.380 68.521 68.868 0.055 0.000 0.866 125 T HN 0.674 nan 8.240 nan 0.000 0.444 126 A N 0.719 123.491 122.820 -0.081 0.000 2.014 126 A HA 0.107 4.436 4.320 0.016 0.000 0.218 126 A C 1.909 179.259 177.584 -0.391 0.000 1.163 126 A CA 0.695 52.652 52.037 -0.132 0.000 0.652 126 A CB -0.802 18.192 19.000 -0.011 0.000 0.808 126 A HN 0.495 nan 8.150 nan 0.000 0.449 127 F N 0.271 119.662 119.950 -0.931 0.000 2.293 127 F HA -0.135 4.399 4.527 0.011 0.000 0.300 127 F C 2.141 177.507 175.800 -0.724 0.000 1.086 127 F CA 1.699 58.879 58.000 -1.367 0.000 1.375 127 F CB -0.182 37.910 39.000 -1.513 0.000 1.045 127 F HN 0.370 nan 8.300 nan 0.000 0.516 128 H N -1.273 117.506 119.070 -0.485 0.000 2.388 128 H HA -0.024 4.542 4.556 0.018 0.000 0.304 128 H C 1.888 177.048 175.328 -0.280 0.000 1.049 128 H CA 1.154 56.942 56.048 -0.433 0.000 1.371 128 H CB -0.787 28.836 29.762 -0.233 0.000 1.436 128 H HN 0.240 nan 8.280 nan 0.000 0.544 129 D N 0.988 121.351 120.400 -0.062 0.000 2.228 129 D HA -0.146 4.504 4.640 0.016 0.000 0.203 129 D C 0.055 176.318 176.300 -0.061 0.000 0.988 129 D CA 0.929 54.901 54.000 -0.047 0.000 0.864 129 D CB 0.160 40.947 40.800 -0.022 0.000 0.928 129 D HN 0.164 nan 8.370 nan 0.000 0.469 130 N N -0.157 118.482 118.700 -0.101 0.000 2.976 130 N HA -0.033 4.716 4.740 0.016 0.000 0.249 130 N C -0.139 175.318 175.510 -0.087 0.000 1.258 130 N CA -0.249 52.766 53.050 -0.058 0.000 0.864 130 N CB 1.175 39.672 38.487 0.017 0.000 1.551 130 N HN -0.061 nan 8.380 nan 0.000 0.607 131 E N 1.546 121.660 120.200 -0.144 0.000 2.112 131 E HA -0.052 4.307 4.350 0.016 0.000 0.190 131 E C 0.488 177.140 176.600 0.086 0.000 0.979 131 E CA 0.919 57.225 56.400 -0.156 0.000 0.814 131 E CB 0.465 29.993 29.700 -0.287 0.000 0.762 131 E HN 0.449 nan 8.360 nan 0.000 0.460 132 E N 0.101 120.348 120.200 0.077 0.000 2.028 132 E HA -0.105 4.254 4.350 0.016 0.000 0.191 132 E C 2.128 178.842 176.600 0.190 0.000 0.988 132 E CA 1.367 57.843 56.400 0.126 0.000 0.799 132 E CB -0.718 29.034 29.700 0.087 0.000 0.755 132 E HN 0.173 nan 8.360 nan 0.000 0.447 133 T N 1.341 116.012 114.554 0.195 0.000 2.977 133 T HA -0.112 4.247 4.350 0.016 0.000 0.271 133 T C 1.431 176.292 174.700 0.268 0.000 1.105 133 T CA 0.638 62.905 62.100 0.279 0.000 1.116 133 T CB -0.292 68.724 68.868 0.246 0.000 0.878 133 T HN 0.077 nan 8.240 nan 0.000 0.509 134 F N 1.397 121.388 119.950 0.069 0.000 2.149 134 F HA 0.148 4.684 4.527 0.015 0.000 0.294 134 F C 1.811 177.664 175.800 0.088 0.000 1.095 134 F CA 0.841 58.854 58.000 0.023 0.000 1.276 134 F CB -0.349 38.647 39.000 -0.006 0.000 1.023 134 F HN 0.041 nan 8.300 nan 0.000 0.480 135 L N 0.087 121.439 121.223 0.214 0.000 2.027 135 L HA -0.207 4.142 4.340 0.016 0.000 0.206 135 L C 2.322 179.283 176.870 0.152 0.000 1.074 135 L CA 1.489 56.440 54.840 0.185 0.000 0.745 135 L CB -0.808 41.392 42.059 0.234 0.000 0.898 135 L HN 0.004 nan 8.230 nan 0.000 0.433 136 K N 0.133 120.655 120.400 0.202 0.000 2.211 136 K HA -0.233 4.096 4.320 0.016 0.000 0.204 136 K C 2.112 178.862 176.600 0.251 0.000 1.047 136 K CA 1.228 57.693 56.287 0.297 0.000 0.935 136 K CB -0.083 32.682 32.500 0.442 0.000 0.728 136 K HN 0.038 nan 8.250 nan 0.000 0.452 137 K N 0.281 120.612 120.400 -0.115 0.000 2.025 137 K HA -0.156 4.174 4.320 0.016 0.000 0.207 137 K C 1.919 178.398 176.600 -0.202 0.000 1.049 137 K CA 1.116 57.067 56.287 -0.560 0.000 0.933 137 K CB -0.344 31.802 32.500 -0.589 0.000 0.714 137 K HN 0.105 nan 8.250 nan 0.000 0.438 138 Y N 1.138 121.241 120.300 -0.329 0.000 2.049 138 Y HA -0.221 4.331 4.550 0.003 0.000 0.277 138 Y C 1.624 177.350 175.900 -0.290 0.000 1.143 138 Y CA 1.884 59.742 58.100 -0.403 0.000 1.115 138 Y CB -0.583 37.529 38.460 -0.578 0.000 0.975 138 Y HN -0.016 nan 8.280 nan 0.000 0.487 139 L N -0.859 120.239 121.223 -0.208 0.000 2.051 139 L HA -0.310 4.039 4.340 0.016 0.000 0.214 139 L C 2.455 179.196 176.870 -0.214 0.000 1.076 139 L CA 2.063 56.737 54.840 -0.277 0.000 0.758 139 L CB -1.094 40.919 42.059 -0.076 0.000 0.890 139 L HN 0.415 nan 8.230 nan 0.000 0.433 140 Y N 1.164 121.372 120.300 -0.153 0.000 2.070 140 Y HA -0.277 4.280 4.550 0.012 0.000 0.280 140 Y C 2.656 178.465 175.900 -0.151 0.000 1.148 140 Y CA 1.824 59.879 58.100 -0.076 0.000 1.125 140 Y CB -0.226 38.302 38.460 0.113 0.000 0.975 140 Y HN 0.128 nan 8.280 nan 0.000 0.492 141 E N 0.400 120.379 120.200 -0.368 0.000 2.058 141 E HA -0.197 4.162 4.350 0.016 0.000 0.194 141 E C 2.372 178.731 176.600 -0.402 0.000 0.997 141 E CA 1.508 57.646 56.400 -0.437 0.000 0.801 141 E CB -0.423 29.140 29.700 -0.227 0.000 0.746 141 E HN 0.506 nan 8.360 nan 0.000 0.450 142 I N 1.227 121.522 120.570 -0.458 0.000 2.179 142 I HA -0.218 3.961 4.170 0.016 0.000 0.242 142 I C 2.478 178.437 176.117 -0.265 0.000 1.088 142 I CA 1.141 62.197 61.300 -0.406 0.000 1.357 142 I CB -1.404 36.125 38.000 -0.786 0.000 1.051 142 I HN -0.034 nan 8.210 nan 0.000 0.409 143 A N 1.900 124.514 122.820 -0.343 0.000 1.877 143 A HA -0.226 4.103 4.320 0.016 0.000 0.216 143 A C 2.418 179.883 177.584 -0.197 0.000 1.186 143 A CA 1.927 53.820 52.037 -0.239 0.000 0.620 143 A CB -0.704 18.144 19.000 -0.253 0.000 0.822 143 A HN 0.554 nan 8.150 nan 0.000 0.443 144 R N -0.718 119.600 120.500 -0.304 0.000 2.148 144 R HA -0.031 4.318 4.340 0.016 0.000 0.227 144 R C 1.841 178.011 176.300 -0.218 0.000 1.103 144 R CA 1.428 57.361 56.100 -0.277 0.000 0.983 144 R CB -0.327 29.706 30.300 -0.444 0.000 0.874 144 R HN 0.458 nan 8.270 nan 0.000 0.451 145 R N -0.219 120.135 120.500 -0.243 0.000 2.223 145 R HA 0.113 4.463 4.340 0.016 0.000 0.198 145 R C 0.118 176.103 176.300 -0.525 0.000 0.984 145 R CA 0.458 56.348 56.100 -0.349 0.000 1.018 145 R CB 0.305 30.381 30.300 -0.373 0.000 0.945 145 R HN 0.373 nan 8.270 nan 0.000 0.479 146 H N 0.912 119.965 119.070 -0.028 0.000 2.423 146 H HA 0.162 4.728 4.556 0.018 0.000 0.237 146 H C -1.958 173.402 175.328 0.054 0.000 1.391 146 H CA -1.851 54.238 56.048 0.069 0.000 1.453 146 H CB 1.381 31.254 29.762 0.184 0.000 1.484 146 H HN 0.013 nan 8.280 nan 0.000 0.505 147 P HA -0.152 nan 4.420 nan 0.000 0.234 147 P C 0.184 177.290 177.300 -0.324 0.000 1.162 147 P CA 1.150 64.159 63.100 -0.152 0.000 0.759 147 P CB 0.047 31.622 31.700 -0.208 0.000 0.813 148 Y N -2.997 117.351 120.300 0.079 0.000 2.588 148 Y HA 0.294 4.852 4.550 0.014 0.000 0.247 148 Y C 0.928 176.886 175.900 0.096 0.000 1.157 148 Y CA -1.088 57.047 58.100 0.059 0.000 1.215 148 Y CB -0.363 38.107 38.460 0.016 0.000 1.245 148 Y HN -0.240 nan 8.280 nan 0.000 0.534 149 F N 1.446 121.461 119.950 0.108 0.000 2.612 149 F HA -0.114 4.415 4.527 0.003 0.000 0.389 149 F C 0.459 176.331 175.800 0.120 0.000 1.055 149 F CA -0.651 57.386 58.000 0.062 0.000 1.232 149 F CB 0.081 39.053 39.000 -0.045 0.000 1.044 149 F HN 0.090 nan 8.300 nan 0.000 0.560 150 Y N 7.451 127.840 120.300 0.149 0.000 2.828 150 Y HA 0.152 4.758 4.550 0.094 0.000 0.364 150 Y C 1.163 177.263 175.900 0.332 0.000 1.277 150 Y CA -0.449 57.773 58.100 0.204 0.000 1.713 150 Y CB -0.247 38.292 38.460 0.132 0.000 1.278 150 Y HN 0.750 nan 8.280 nan 0.000 0.502 151 A N 7.405 130.324 122.820 0.165 0.000 1.881 151 A HA -0.247 4.082 4.320 0.016 0.000 0.219 151 A C -0.212 177.304 177.584 -0.114 0.000 1.215 151 A CA 2.122 54.151 52.037 -0.013 0.000 0.648 151 A CB -1.793 17.161 19.000 -0.077 0.000 0.832 151 A HN 0.630 nan 8.150 nan 0.000 0.455 152 P HA -0.171 nan 4.420 nan 0.000 0.215 152 P C 1.364 178.619 177.300 -0.075 0.000 1.157 152 P CA 1.466 64.398 63.100 -0.279 0.000 0.874 152 P CB -0.077 31.319 31.700 -0.505 0.000 0.790 153 E N -0.891 119.279 120.200 -0.051 0.000 2.153 153 E HA -0.158 4.201 4.350 0.016 0.000 0.194 153 E C 1.881 178.852 176.600 0.617 0.000 0.988 153 E CA 0.761 57.398 56.400 0.395 0.000 0.811 153 E CB -0.899 29.184 29.700 0.638 0.000 0.746 153 E HN 0.145 nan 8.360 nan 0.000 0.466 154 L N 0.842 122.274 121.223 0.349 0.000 2.083 154 L HA -0.140 4.210 4.340 0.016 0.000 0.209 154 L C 2.183 179.153 176.870 0.167 0.000 1.083 154 L CA 1.345 56.213 54.840 0.047 0.000 0.752 154 L CB -0.594 41.269 42.059 -0.326 0.000 0.899 154 L HN 0.088 nan 8.230 nan 0.000 0.433 155 L N -1.938 119.369 121.223 0.140 0.000 2.191 155 L HA -0.233 4.116 4.340 0.016 0.000 0.212 155 L C 2.408 179.393 176.870 0.192 0.000 1.103 155 L CA 1.232 56.146 54.840 0.123 0.000 0.769 155 L CB -0.688 41.413 42.059 0.072 0.000 0.908 155 L HN 0.291 nan 8.230 nan 0.000 0.438 156 F N 0.442 120.463 119.950 0.118 0.000 2.084 156 F HA -0.186 4.317 4.527 -0.040 0.000 0.296 156 F C 2.147 177.958 175.800 0.019 0.000 1.111 156 F CA 1.388 59.406 58.000 0.030 0.000 1.224 156 F CB -0.305 38.678 39.000 -0.029 0.000 0.991 156 F HN -0.141 nan 8.300 nan 0.000 0.471 157 F N 0.542 120.606 119.950 0.190 0.000 2.216 157 F HA -0.100 4.422 4.527 -0.008 0.000 0.300 157 F C 2.531 178.399 175.800 0.115 0.000 1.085 157 F CA 1.109 59.183 58.000 0.125 0.000 1.326 157 F CB -1.324 37.800 39.000 0.205 0.000 1.027 157 F HN 0.081 nan 8.300 nan 0.000 0.497 158 A N -0.272 122.739 122.820 0.319 0.000 1.898 158 A HA -0.211 4.118 4.320 0.016 0.000 0.216 158 A C 2.248 179.910 177.584 0.131 0.000 1.181 158 A CA 1.725 53.926 52.037 0.275 0.000 0.620 158 A CB -0.626 18.508 19.000 0.223 0.000 0.819 158 A HN 0.336 nan 8.150 nan 0.000 0.442 159 K N -0.662 119.743 120.400 0.008 0.000 2.103 159 K HA -0.038 4.292 4.320 0.016 0.000 0.204 159 K C 2.230 178.754 176.600 -0.128 0.000 1.052 159 K CA 0.846 57.096 56.287 -0.061 0.000 0.945 159 K CB -0.105 32.322 32.500 -0.122 0.000 0.722 159 K HN 0.373 nan 8.250 nan 0.000 0.443 160 R N -0.825 119.531 120.500 -0.240 0.000 2.148 160 R HA -0.128 4.222 4.340 0.016 0.000 0.223 160 R C 2.090 178.341 176.300 -0.082 0.000 1.088 160 R CA 1.082 57.036 56.100 -0.244 0.000 0.985 160 R CB -0.217 29.847 30.300 -0.394 0.000 0.880 160 R HN 0.291 nan 8.270 nan 0.000 0.451 161 Y N 1.918 122.114 120.300 -0.173 0.000 2.220 161 Y HA -0.177 4.380 4.550 0.012 0.000 0.291 161 Y C 2.334 178.178 175.900 -0.092 0.000 1.129 161 Y CA 1.425 59.392 58.100 -0.221 0.000 1.161 161 Y CB -0.036 38.070 38.460 -0.590 0.000 0.997 161 Y HN -0.164 nan 8.280 nan 0.000 0.522 162 K N 0.134 120.533 120.400 -0.002 0.000 1.985 162 K HA -0.174 4.156 4.320 0.016 0.000 0.210 162 K C 2.338 178.894 176.600 -0.074 0.000 1.047 162 K CA 1.399 57.685 56.287 -0.002 0.000 0.932 162 K CB -0.558 32.008 32.500 0.111 0.000 0.716 162 K HN 0.318 nan 8.250 nan 0.000 0.439 163 A N 1.186 123.968 122.820 -0.064 0.000 1.940 163 A HA -0.280 4.050 4.320 0.016 0.000 0.221 163 A C 2.321 179.818 177.584 -0.145 0.000 1.190 163 A CA 2.455 54.445 52.037 -0.079 0.000 0.647 163 A CB -1.109 17.833 19.000 -0.096 0.000 0.821 163 A HN 0.580 nan 8.150 nan 0.000 0.457 164 A N -1.126 121.555 122.820 -0.231 0.000 1.841 164 A HA -0.046 4.284 4.320 0.016 0.000 0.216 164 A C 1.947 179.244 177.584 -0.478 0.000 1.199 164 A CA 1.686 53.511 52.037 -0.355 0.000 0.621 164 A CB -0.954 17.769 19.000 -0.462 0.000 0.835 164 A HN 0.500 nan 8.150 nan 0.000 0.445 165 F N 0.687 120.235 119.950 -0.671 0.000 2.250 165 F HA -0.144 4.390 4.527 0.012 0.000 0.301 165 F C 2.634 178.009 175.800 -0.708 0.000 1.077 165 F CA 1.835 59.211 58.000 -1.040 0.000 1.348 165 F CB -0.617 37.084 39.000 -2.165 0.000 1.040 165 F HN 0.156 nan 8.300 nan 0.000 0.509 166 T N -1.211 113.254 114.554 -0.149 0.000 3.023 166 T HA -0.029 4.331 4.350 0.016 0.000 0.266 166 T C 2.116 176.887 174.700 0.118 0.000 1.093 166 T CA 1.361 63.615 62.100 0.256 0.000 1.129 166 T CB -0.258 68.773 68.868 0.272 0.000 0.899 166 T HN 0.482 nan 8.240 nan 0.000 0.491 167 E N -0.406 119.787 120.200 -0.012 0.000 2.251 167 E HA 0.060 4.420 4.350 0.016 0.000 0.194 167 E C 2.100 178.674 176.600 -0.044 0.000 0.964 167 E CA 0.483 56.870 56.400 -0.021 0.000 0.868 167 E CB -0.935 28.735 29.700 -0.051 0.000 0.828 167 E HN 0.596 nan 8.360 nan 0.000 0.481 168 c N -0.462 118.070 118.600 -0.113 0.000 2.512 168 c HA 0.086 4.665 4.570 0.016 0.000 0.276 168 c C 2.467 176.520 174.090 -0.062 0.000 1.368 168 c CA 0.477 56.730 56.329 -0.126 0.000 1.755 168 c CB -0.722 41.642 42.510 -0.243 0.000 2.008 168 c HN 0.776 nan 8.230 nan 0.000 0.511 169 c N 0.393 118.996 118.600 0.004 0.000 2.576 169 c HA 0.040 4.620 4.570 0.016 0.000 0.267 169 c C 1.393 175.580 174.090 0.161 0.000 1.364 169 c CA 0.448 56.855 56.329 0.131 0.000 1.723 169 c CB -1.931 40.763 42.510 0.308 0.000 1.778 169 c HN 0.664 nan 8.230 nan 0.000 0.572 170 Q N 0.625 120.484 119.800 0.098 0.000 2.831 170 Q HA 0.577 4.927 4.340 0.016 0.000 0.366 170 Q C -0.572 175.442 176.000 0.024 0.000 0.899 170 Q CA -0.052 55.789 55.803 0.064 0.000 0.987 170 Q CB 0.369 29.153 28.738 0.076 0.000 1.382 170 Q HN 0.534 nan 8.270 nan 0.000 0.403 171 A N -0.211 122.617 122.820 0.013 0.000 2.588 171 A HA 0.803 5.133 4.320 0.016 0.000 0.290 171 A C 0.174 177.756 177.584 -0.003 0.000 1.136 171 A CA 0.042 52.078 52.037 -0.001 0.000 0.681 171 A CB 0.356 19.349 19.000 -0.013 0.000 1.282 171 A HN 0.424 nan 8.150 nan 0.000 0.421 172 A N -0.183 122.634 122.820 -0.006 0.000 1.842 172 A HA 0.022 4.352 4.320 0.016 0.000 0.217 172 A C 0.895 178.476 177.584 -0.006 0.000 1.206 172 A CA 2.400 54.434 52.037 -0.006 0.000 0.630 172 A CB -0.532 18.464 19.000 -0.007 0.000 0.839 172 A HN 0.834 nan 8.150 nan 0.000 0.447 173 D N -2.156 118.238 120.400 -0.010 0.000 2.181 173 D HA 0.475 5.125 4.640 0.016 0.000 0.248 173 D C 0.509 176.797 176.300 -0.021 0.000 1.020 173 D CA -0.302 53.690 54.000 -0.013 0.000 0.891 173 D CB 1.517 42.308 40.800 -0.014 0.000 1.187 173 D HN 0.263 nan 8.370 nan 0.000 0.443 174 K N 1.270 121.656 120.400 -0.023 0.000 2.353 174 K HA 0.241 4.571 4.320 0.016 0.000 0.206 174 K C 1.408 177.973 176.600 -0.058 0.000 1.191 174 K CA 0.066 56.328 56.287 -0.042 0.000 0.897 174 K CB 0.097 32.583 32.500 -0.025 0.000 1.283 174 K HN 0.297 nan 8.250 nan 0.000 0.477 175 A N 1.125 123.923 122.820 -0.037 0.000 2.276 175 A HA 0.092 4.422 4.320 0.016 0.000 0.205 175 A C 1.555 179.118 177.584 -0.035 0.000 1.234 175 A CA 1.326 53.342 52.037 -0.035 0.000 0.797 175 A CB -0.632 18.360 19.000 -0.013 0.000 0.769 175 A HN 0.354 nan 8.150 nan 0.000 0.491 176 A N -2.764 120.031 122.820 -0.041 0.000 2.340 176 A HA 0.246 4.575 4.320 0.016 0.000 0.213 176 A C 1.668 179.223 177.584 -0.048 0.000 1.299 176 A CA 0.790 52.806 52.037 -0.035 0.000 0.994 176 A CB -0.649 18.337 19.000 -0.024 0.000 1.132 176 A HN 0.645 nan 8.150 nan 0.000 0.519 177 c N -1.268 117.292 118.600 -0.067 0.000 2.587 177 c HA 0.323 4.902 4.570 0.016 0.000 0.287 177 c C 2.123 176.136 174.090 -0.129 0.000 1.374 177 c CA 1.115 57.393 56.329 -0.086 0.000 1.770 177 c CB -0.949 41.509 42.510 -0.086 0.000 2.137 177 c HN 0.505 nan 8.230 nan 0.000 0.550 178 L N 1.522 122.640 121.223 -0.176 0.000 1.925 178 L HA 0.050 4.400 4.340 0.016 0.000 0.214 178 L C 2.439 179.190 176.870 -0.198 0.000 1.091 178 L CA 2.043 56.718 54.840 -0.275 0.000 0.768 178 L CB -1.155 40.672 42.059 -0.386 0.000 0.887 178 L HN 0.451 nan 8.230 nan 0.000 0.433 179 L N -0.495 120.641 121.223 -0.145 0.000 2.125 179 L HA -0.349 4.001 4.340 0.016 0.000 0.234 179 L C 0.029 176.868 176.870 -0.051 0.000 1.110 179 L CA 2.428 57.223 54.840 -0.075 0.000 0.832 179 L CB -2.600 39.435 42.059 -0.039 0.000 0.922 179 L HN 0.320 nan 8.230 nan 0.000 0.449 180 P HA -0.192 nan 4.420 nan 0.000 0.216 180 P C 1.371 178.655 177.300 -0.026 0.000 1.150 180 P CA 1.551 64.634 63.100 -0.028 0.000 0.843 180 P CB -0.028 31.653 31.700 -0.033 0.000 0.787 181 K N -0.890 119.474 120.400 -0.060 0.000 2.167 181 K HA 0.040 4.369 4.320 0.016 0.000 0.203 181 K C 1.972 178.559 176.600 -0.021 0.000 1.052 181 K CA 0.886 57.140 56.287 -0.055 0.000 0.956 181 K CB -0.492 31.939 32.500 -0.114 0.000 0.735 181 K HN 0.220 nan 8.250 nan 0.000 0.451 182 L N 1.079 122.280 121.223 -0.037 0.000 2.376 182 L HA -0.134 4.216 4.340 0.016 0.000 0.219 182 L C 1.692 178.611 176.870 0.081 0.000 1.133 182 L CA 0.719 55.582 54.840 0.038 0.000 0.816 182 L CB -0.260 41.808 42.059 0.015 0.000 0.933 182 L HN 0.158 nan 8.230 nan 0.000 0.449 183 D N 0.017 120.448 120.400 0.053 0.000 2.110 183 D HA -0.184 4.466 4.640 0.016 0.000 0.202 183 D C 1.931 178.282 176.300 0.085 0.000 0.975 183 D CA 1.002 55.041 54.000 0.065 0.000 0.839 183 D CB 0.165 40.991 40.800 0.043 0.000 0.996 183 D HN 0.324 nan 8.370 nan 0.000 0.464 184 E N 0.585 120.831 120.200 0.077 0.000 2.118 184 E HA -0.137 4.223 4.350 0.016 0.000 0.195 184 E C 2.386 179.079 176.600 0.155 0.000 0.992 184 E CA 0.528 56.987 56.400 0.097 0.000 0.804 184 E CB 0.020 29.763 29.700 0.071 0.000 0.741 184 E HN 0.188 nan 8.360 nan 0.000 0.458 185 L N -0.211 121.119 121.223 0.179 0.000 2.027 185 L HA -0.206 4.144 4.340 0.016 0.000 0.206 185 L C 3.108 180.150 176.870 0.287 0.000 1.074 185 L CA 1.572 56.588 54.840 0.294 0.000 0.745 185 L CB -0.915 41.330 42.059 0.310 0.000 0.898 185 L HN 0.177 nan 8.230 nan 0.000 0.433 186 R N 0.431 121.050 120.500 0.198 0.000 2.091 186 R HA -0.236 4.113 4.340 0.016 0.000 0.238 186 R C 1.749 178.122 176.300 0.122 0.000 1.136 186 R CA 2.325 58.509 56.100 0.141 0.000 0.959 186 R CB -1.646 28.724 30.300 0.118 0.000 0.856 186 R HN 0.388 nan 8.270 nan 0.000 0.437 187 D N -0.338 120.142 120.400 0.133 0.000 2.084 187 D HA -0.135 4.515 4.640 0.016 0.000 0.194 187 D C 1.922 178.313 176.300 0.151 0.000 0.990 187 D CA 1.583 55.655 54.000 0.121 0.000 0.826 187 D CB -0.298 40.568 40.800 0.109 0.000 0.971 187 D HN 0.719 nan 8.370 nan 0.000 0.453 188 E N -0.329 120.010 120.200 0.231 0.000 2.153 188 E HA -0.109 4.251 4.350 0.016 0.000 0.194 188 E C 2.092 178.906 176.600 0.357 0.000 0.988 188 E CA 1.073 57.678 56.400 0.341 0.000 0.811 188 E CB -0.174 29.799 29.700 0.454 0.000 0.746 188 E HN 0.310 nan 8.360 nan 0.000 0.466 189 G N 0.542 109.477 108.800 0.226 0.000 2.421 189 G HA2 -0.205 3.764 3.960 0.016 0.000 0.217 189 G HA3 -0.205 3.764 3.960 0.016 0.000 0.217 189 G C 1.468 176.288 174.900 -0.133 0.000 1.143 189 G CA 0.311 45.331 45.100 -0.133 0.000 0.784 189 G HN 0.115 nan 8.290 nan 0.000 0.541 190 K N 0.265 120.636 120.400 -0.049 0.000 2.155 190 K HA 0.154 4.484 4.320 0.016 0.000 0.203 190 K C 2.845 179.408 176.600 -0.062 0.000 1.052 190 K CA 0.755 56.999 56.287 -0.072 0.000 0.948 190 K CB -0.027 32.487 32.500 0.023 0.000 0.728 190 K HN 0.263 nan 8.250 nan 0.000 0.448 191 A N 0.520 123.344 122.820 0.007 0.000 1.929 191 A HA -0.108 4.222 4.320 0.016 0.000 0.216 191 A C 2.152 179.708 177.584 -0.048 0.000 1.176 191 A CA 1.580 53.634 52.037 0.029 0.000 0.628 191 A CB -0.485 18.580 19.000 0.108 0.000 0.816 191 A HN 0.213 nan 8.150 nan 0.000 0.444 192 S N -0.554 115.099 115.700 -0.079 0.000 2.368 192 S HA -0.158 4.322 4.470 0.016 0.000 0.225 192 S C 2.368 176.678 174.600 -0.482 0.000 1.030 192 S CA 1.944 60.025 58.200 -0.198 0.000 0.999 192 S CB -0.423 62.684 63.200 -0.155 0.000 0.844 192 S HN 0.627 nan 8.310 nan 0.000 0.459 193 S N 0.718 116.025 115.700 -0.654 0.000 2.353 193 S HA -0.067 4.412 4.470 0.016 0.000 0.222 193 S C 2.113 176.552 174.600 -0.268 0.000 1.035 193 S CA 1.562 59.411 58.200 -0.585 0.000 1.025 193 S CB -0.822 62.103 63.200 -0.458 0.000 0.902 193 S HN 0.671 nan 8.310 nan 0.000 0.440 194 A N 1.099 123.811 122.820 -0.181 0.000 1.908 194 A HA -0.123 4.207 4.320 0.016 0.000 0.218 194 A C 2.204 179.691 177.584 -0.160 0.000 1.181 194 A CA 2.275 54.231 52.037 -0.135 0.000 0.627 194 A CB -1.167 17.771 19.000 -0.103 0.000 0.818 194 A HN 0.526 nan 8.150 nan 0.000 0.445 195 K N -0.809 119.499 120.400 -0.154 0.000 2.032 195 K HA -0.187 4.143 4.320 0.016 0.000 0.209 195 K C 2.377 178.848 176.600 -0.215 0.000 1.048 195 K CA 2.065 58.261 56.287 -0.150 0.000 0.927 195 K CB -0.554 31.890 32.500 -0.093 0.000 0.712 195 K HN 0.693 nan 8.250 nan 0.000 0.441 196 Q N -0.019 119.641 119.800 -0.233 0.000 2.230 196 Q HA 0.032 4.381 4.340 0.016 0.000 0.202 196 Q C 2.080 177.958 176.000 -0.202 0.000 0.963 196 Q CA 1.723 57.383 55.803 -0.239 0.000 0.866 196 Q CB -0.299 28.316 28.738 -0.206 0.000 0.931 196 Q HN 0.358 nan 8.270 nan 0.000 0.452 197 R N -0.364 120.023 120.500 -0.188 0.000 2.120 197 R HA -0.069 4.280 4.340 0.016 0.000 0.234 197 R C 1.793 177.948 176.300 -0.241 0.000 1.123 197 R CA 1.046 57.017 56.100 -0.214 0.000 0.975 197 R CB -0.633 29.555 30.300 -0.187 0.000 0.866 197 R HN 0.416 nan 8.270 nan 0.000 0.446 198 L N 0.509 121.590 121.223 -0.236 0.000 2.109 198 L HA -0.015 4.335 4.340 0.016 0.000 0.207 198 L C 1.449 178.143 176.870 -0.294 0.000 1.086 198 L CA 1.803 56.492 54.840 -0.251 0.000 0.760 198 L CB -0.310 41.586 42.059 -0.272 0.000 0.910 198 L HN 0.073 nan 8.230 nan 0.000 0.437 199 K N -1.212 118.987 120.400 -0.335 0.000 2.025 199 K HA -0.133 4.196 4.320 0.016 0.000 0.207 199 K C 2.134 178.557 176.600 -0.295 0.000 1.049 199 K CA 1.612 57.688 56.287 -0.351 0.000 0.933 199 K CB -0.542 31.681 32.500 -0.463 0.000 0.714 199 K HN 0.409 nan 8.250 nan 0.000 0.438 200 c N 0.802 119.262 118.600 -0.232 0.000 2.432 200 c HA -0.089 4.490 4.570 0.016 0.000 0.277 200 c C 2.947 176.945 174.090 -0.152 0.000 1.249 200 c CA 0.865 57.097 56.329 -0.161 0.000 1.725 200 c CB -0.924 41.520 42.510 -0.110 0.000 2.028 200 c HN 0.549 nan 8.230 nan 0.000 0.477 201 A N 0.577 123.292 122.820 -0.175 0.000 1.908 201 A HA -0.184 4.145 4.320 0.016 0.000 0.218 201 A C 2.252 179.868 177.584 0.053 0.000 1.181 201 A CA 2.429 54.412 52.037 -0.089 0.000 0.627 201 A CB -0.810 18.140 19.000 -0.084 0.000 0.818 201 A HN 0.578 nan 8.150 nan 0.000 0.445 202 S N -0.157 115.554 115.700 0.020 0.000 2.356 202 S HA -0.101 4.378 4.470 0.016 0.000 0.223 202 S C 1.849 176.542 174.600 0.156 0.000 1.032 202 S CA 1.493 59.771 58.200 0.130 0.000 1.005 202 S CB -0.470 62.721 63.200 -0.014 0.000 0.867 202 S HN 0.500 nan 8.310 nan 0.000 0.449 203 L N 1.253 122.470 121.223 -0.010 0.000 1.994 203 L HA -0.190 4.160 4.340 0.016 0.000 0.208 203 L C 2.817 179.691 176.870 0.008 0.000 1.071 203 L CA 1.372 56.188 54.840 -0.040 0.000 0.745 203 L CB -0.588 41.360 42.059 -0.185 0.000 0.892 203 L HN 0.356 nan 8.230 nan 0.000 0.431 204 Q N 0.052 119.846 119.800 -0.012 0.000 1.990 204 Q HA -0.202 4.147 4.340 0.016 0.000 0.200 204 Q C 2.160 178.110 176.000 -0.084 0.000 0.980 204 Q CA 1.510 57.298 55.803 -0.026 0.000 0.832 204 Q CB -0.102 28.623 28.738 -0.022 0.000 0.897 204 Q HN 0.437 nan 8.270 nan 0.000 0.427 205 K N -0.449 119.857 120.400 -0.157 0.000 2.296 205 K HA -0.006 4.323 4.320 0.016 0.000 0.200 205 K C 1.010 177.172 176.600 -0.731 0.000 1.048 205 K CA 0.835 56.836 56.287 -0.476 0.000 0.966 205 K CB 0.295 32.374 32.500 -0.702 0.000 0.754 205 K HN 0.121 nan 8.250 nan 0.000 0.466 206 F N -0.055 119.893 119.950 -0.003 0.000 2.746 206 F HA 0.297 4.832 4.527 0.014 0.000 0.320 206 F C 0.789 176.608 175.800 0.032 0.000 1.097 206 F CA -0.168 57.841 58.000 0.016 0.000 1.195 206 F CB 1.084 40.096 39.000 0.021 0.000 1.056 206 F HN 0.019 nan 8.300 nan 0.000 0.562 207 G N 1.737 110.623 108.800 0.144 0.000 2.758 207 G HA2 -0.239 3.730 3.960 0.016 0.000 0.686 207 G HA3 -0.239 3.730 3.960 0.016 0.000 0.686 207 G C 0.656 175.645 174.900 0.148 0.000 1.389 207 G CA -0.102 45.065 45.100 0.111 0.000 0.845 207 G HN 0.474 nan 8.290 nan 0.000 0.572 208 E N 0.022 120.296 120.200 0.123 0.000 2.153 208 E HA -0.155 4.205 4.350 0.016 0.000 0.194 208 E C 2.380 179.114 176.600 0.223 0.000 0.988 208 E CA 1.412 57.918 56.400 0.177 0.000 0.811 208 E CB -0.111 29.669 29.700 0.134 0.000 0.746 208 E HN 0.594 nan 8.360 nan 0.000 0.466 209 R N 0.651 121.251 120.500 0.167 0.000 2.113 209 R HA -0.180 4.170 4.340 0.016 0.000 0.244 209 R C 2.425 178.829 176.300 0.173 0.000 1.142 209 R CA 1.681 57.875 56.100 0.156 0.000 0.953 209 R CB -1.387 28.989 30.300 0.128 0.000 0.860 209 R HN 0.551 nan 8.270 nan 0.000 0.438 210 A N -0.847 122.086 122.820 0.189 0.000 1.902 210 A HA -0.058 4.272 4.320 0.016 0.000 0.217 210 A C 2.119 179.830 177.584 0.211 0.000 1.181 210 A CA 1.651 53.794 52.037 0.177 0.000 0.623 210 A CB -0.753 18.360 19.000 0.189 0.000 0.818 210 A HN 0.658 nan 8.150 nan 0.000 0.443 211 F N 0.522 120.524 119.950 0.086 0.000 2.234 211 F HA -0.050 4.485 4.527 0.013 0.000 0.299 211 F C 2.073 177.971 175.800 0.163 0.000 1.087 211 F CA 1.758 59.805 58.000 0.078 0.000 1.340 211 F CB -0.063 38.948 39.000 0.019 0.000 1.031 211 F HN 0.098 nan 8.300 nan 0.000 0.500 212 K N 0.071 120.574 120.400 0.172 0.000 2.057 212 K HA -0.086 4.243 4.320 0.016 0.000 0.206 212 K C 2.317 178.939 176.600 0.037 0.000 1.050 212 K CA 1.042 57.374 56.287 0.075 0.000 0.935 212 K CB -0.463 32.123 32.500 0.144 0.000 0.715 212 K HN 0.327 nan 8.250 nan 0.000 0.439 213 A N 0.640 123.510 122.820 0.084 0.000 1.902 213 A HA -0.200 4.130 4.320 0.016 0.000 0.217 213 A C 1.898 179.491 177.584 0.016 0.000 1.181 213 A CA 1.229 53.306 52.037 0.068 0.000 0.623 213 A CB -0.864 18.186 19.000 0.083 0.000 0.818 213 A HN 0.543 nan 8.150 nan 0.000 0.443 214 W N 0.382 121.580 121.300 -0.171 0.000 2.333 214 W HA -0.174 4.494 4.660 0.014 0.000 0.316 214 W C 2.579 178.921 176.519 -0.295 0.000 1.215 214 W CA 2.631 59.834 57.345 -0.237 0.000 1.278 214 W CB -0.183 29.103 29.460 -0.289 0.000 1.154 214 W HN 0.343 nan 8.180 nan 0.000 0.486 215 A N -0.763 122.003 122.820 -0.091 0.000 1.969 215 A HA -0.125 4.205 4.320 0.016 0.000 0.218 215 A C 1.951 179.455 177.584 -0.134 0.000 1.169 215 A CA 1.849 53.795 52.037 -0.151 0.000 0.635 215 A CB -1.099 17.743 19.000 -0.264 0.000 0.810 215 A HN 0.180 nan 8.150 nan 0.000 0.445 216 V N -0.177 119.688 119.914 -0.082 0.000 2.295 216 V HA -0.253 3.877 4.120 0.016 0.000 0.246 216 V C 3.068 179.139 176.094 -0.039 0.000 1.049 216 V CA 1.994 64.292 62.300 -0.003 0.000 1.024 216 V CB -1.088 30.783 31.823 0.080 0.000 0.648 216 V HN 0.603 nan 8.190 nan 0.000 0.447 217 A N -0.413 122.323 122.820 -0.141 0.000 1.972 217 A HA -0.250 4.080 4.320 0.016 0.000 0.219 217 A C 2.315 179.714 177.584 -0.308 0.000 1.169 217 A CA 2.160 54.068 52.037 -0.215 0.000 0.635 217 A CB -0.464 18.362 19.000 -0.291 0.000 0.810 217 A HN 0.482 nan 8.150 nan 0.000 0.446 218 R N -0.556 119.683 120.500 -0.436 0.000 2.080 218 R HA 0.186 4.536 4.340 0.016 0.000 0.222 218 R C 1.910 178.022 176.300 -0.315 0.000 1.107 218 R CA 0.819 56.639 56.100 -0.467 0.000 0.980 218 R CB -0.316 29.561 30.300 -0.706 0.000 0.879 218 R HN 0.503 nan 8.270 nan 0.000 0.439 219 L N -0.269 120.834 121.223 -0.199 0.000 2.156 219 L HA -0.062 4.287 4.340 0.016 0.000 0.208 219 L C 2.045 178.875 176.870 -0.066 0.000 1.095 219 L CA 1.027 55.788 54.840 -0.132 0.000 0.770 219 L CB -0.310 41.815 42.059 0.110 0.000 0.914 219 L HN 0.183 nan 8.230 nan 0.000 0.439 220 S N -0.557 115.143 115.700 0.001 0.000 2.423 220 S HA -0.174 4.306 4.470 0.016 0.000 0.231 220 S C 1.929 176.471 174.600 -0.096 0.000 1.014 220 S CA 1.058 59.292 58.200 0.057 0.000 0.965 220 S CB -0.065 63.190 63.200 0.091 0.000 0.785 220 S HN 0.470 nan 8.310 nan 0.000 0.495 221 Q N 0.264 119.951 119.800 -0.187 0.000 2.062 221 Q HA 0.054 4.403 4.340 0.016 0.000 0.196 221 Q C 2.383 178.230 176.000 -0.255 0.000 0.967 221 Q CA 0.777 56.449 55.803 -0.218 0.000 0.832 221 Q CB -0.099 28.496 28.738 -0.238 0.000 0.899 221 Q HN 0.152 nan 8.270 nan 0.000 0.442 222 R N 0.133 120.389 120.500 -0.406 0.000 2.091 222 R HA -0.085 4.264 4.340 0.016 0.000 0.238 222 R C 0.203 176.186 176.300 -0.528 0.000 1.136 222 R CA 1.189 56.910 56.100 -0.631 0.000 0.959 222 R CB -0.053 29.560 30.300 -1.145 0.000 0.856 222 R HN 0.112 nan 8.270 nan 0.000 0.437 223 F N -0.508 119.425 119.950 -0.028 0.000 2.438 223 F HA 0.384 4.917 4.527 0.011 0.000 0.315 223 F C -1.768 174.033 175.800 0.002 0.000 1.258 223 F CA -3.086 54.912 58.000 -0.004 0.000 1.180 223 F CB 1.173 40.188 39.000 0.024 0.000 1.412 223 F HN -0.068 nan 8.300 nan 0.000 0.544 224 P HA -0.184 nan 4.420 nan 0.000 0.218 224 P C 1.401 178.728 177.300 0.045 0.000 1.146 224 P CA 1.469 64.570 63.100 0.000 0.000 0.813 224 P CB 0.293 31.955 31.700 -0.065 0.000 0.778 225 K N -0.967 119.486 120.400 0.089 0.000 2.314 225 K HA 0.183 4.512 4.320 0.016 0.000 0.198 225 K C 1.067 177.740 176.600 0.122 0.000 1.045 225 K CA 0.158 56.493 56.287 0.081 0.000 0.988 225 K CB -0.270 32.262 32.500 0.053 0.000 0.783 225 K HN 0.072 nan 8.250 nan 0.000 0.484 226 A N 2.355 125.273 122.820 0.163 0.000 2.511 226 A HA 0.257 4.587 4.320 0.016 0.000 0.242 226 A C 0.417 178.137 177.584 0.227 0.000 1.069 226 A CA 0.293 52.418 52.037 0.146 0.000 0.763 226 A CB -0.136 18.944 19.000 0.134 0.000 1.001 226 A HN 0.392 nan 8.150 nan 0.000 0.498 227 E N 1.031 121.308 120.200 0.128 0.000 2.390 227 E HA 0.380 4.739 4.350 0.016 0.000 0.261 227 E C 0.543 177.118 176.600 -0.042 0.000 1.076 227 E CA 0.015 56.489 56.400 0.123 0.000 0.905 227 E CB 0.059 29.802 29.700 0.071 0.000 0.984 227 E HN 1.006 nan 8.360 nan 0.000 0.427 228 F N 1.672 121.363 119.950 -0.431 0.000 2.087 228 F HA -0.167 4.371 4.527 0.018 0.000 0.299 228 F C 2.510 178.105 175.800 -0.340 0.000 1.100 228 F CA 2.841 60.341 58.000 -0.832 0.000 1.226 228 F CB -0.614 37.909 39.000 -0.794 0.000 0.983 228 F HN 0.579 nan 8.300 nan 0.000 0.479 229 A N -0.482 122.174 122.820 -0.273 0.000 1.948 229 A HA -0.264 4.065 4.320 0.016 0.000 0.220 229 A C 2.083 179.520 177.584 -0.245 0.000 1.177 229 A CA 1.991 53.875 52.037 -0.255 0.000 0.636 229 A CB -0.905 18.060 19.000 -0.058 0.000 0.815 229 A HN 0.475 nan 8.150 nan 0.000 0.449 230 E N -0.241 119.861 120.200 -0.162 0.000 2.072 230 E HA -0.080 4.280 4.350 0.016 0.000 0.191 230 E C 1.901 178.430 176.600 -0.118 0.000 0.985 230 E CA 1.279 57.630 56.400 -0.082 0.000 0.801 230 E CB -0.378 29.307 29.700 -0.026 0.000 0.750 230 E HN 0.272 nan 8.360 nan 0.000 0.452 231 V N 0.228 120.028 119.914 -0.189 0.000 2.343 231 V HA -0.248 3.882 4.120 0.016 0.000 0.247 231 V C 2.287 178.243 176.094 -0.231 0.000 1.051 231 V CA 1.907 64.122 62.300 -0.141 0.000 1.036 231 V CB -0.624 31.132 31.823 -0.112 0.000 0.654 231 V HN 0.214 nan 8.190 nan 0.000 0.451 232 S N -0.579 114.846 115.700 -0.458 0.000 2.356 232 S HA -0.221 4.259 4.470 0.016 0.000 0.223 232 S C 2.091 176.579 174.600 -0.186 0.000 1.032 232 S CA 1.467 59.442 58.200 -0.375 0.000 1.005 232 S CB -0.333 62.566 63.200 -0.501 0.000 0.867 232 S HN 0.487 nan 8.310 nan 0.000 0.449 233 K N 1.217 121.513 120.400 -0.173 0.000 2.063 233 K HA -0.056 4.274 4.320 0.016 0.000 0.208 233 K C 1.999 178.526 176.600 -0.122 0.000 1.048 233 K CA 1.097 57.298 56.287 -0.144 0.000 0.928 233 K CB -0.415 31.988 32.500 -0.162 0.000 0.713 233 K HN 0.352 nan 8.250 nan 0.000 0.442 234 L N 0.339 121.517 121.223 -0.074 0.000 2.056 234 L HA -0.156 4.193 4.340 0.016 0.000 0.207 234 L C 2.502 179.396 176.870 0.039 0.000 1.078 234 L CA 0.665 55.504 54.840 -0.003 0.000 0.749 234 L CB -0.442 41.657 42.059 0.066 0.000 0.901 234 L HN -0.073 nan 8.230 nan 0.000 0.433 235 V N -0.351 119.576 119.914 0.022 0.000 2.343 235 V HA -0.289 3.840 4.120 0.016 0.000 0.247 235 V C 2.576 178.725 176.094 0.092 0.000 1.051 235 V CA 2.317 64.650 62.300 0.056 0.000 1.036 235 V CB -0.691 31.139 31.823 0.012 0.000 0.654 235 V HN 0.490 nan 8.190 nan 0.000 0.451 236 T N -0.187 114.390 114.554 0.038 0.000 2.622 236 T HA -0.203 4.156 4.350 0.016 0.000 0.266 236 T C 1.659 176.396 174.700 0.061 0.000 1.047 236 T CA 1.839 63.967 62.100 0.046 0.000 1.159 236 T CB -0.423 68.442 68.868 -0.006 0.000 0.863 236 T HN 0.482 nan 8.240 nan 0.000 0.422 237 D N 0.834 121.246 120.400 0.021 0.000 2.144 237 D HA -0.035 4.615 4.640 0.016 0.000 0.199 237 D C 1.987 178.340 176.300 0.088 0.000 0.984 237 D CA 0.466 54.480 54.000 0.022 0.000 0.834 237 D CB -0.462 40.317 40.800 -0.035 0.000 0.955 237 D HN 0.126 nan 8.370 nan 0.000 0.465 238 L N 0.777 122.088 121.223 0.147 0.000 2.056 238 L HA -0.104 4.246 4.340 0.016 0.000 0.207 238 L C 2.183 179.276 176.870 0.372 0.000 1.078 238 L CA 1.670 56.665 54.840 0.259 0.000 0.749 238 L CB -0.964 41.276 42.059 0.302 0.000 0.901 238 L HN -0.035 nan 8.230 nan 0.000 0.433 239 T N -0.779 114.006 114.554 0.385 0.000 2.788 239 T HA -0.217 4.143 4.350 0.016 0.000 0.268 239 T C 1.903 176.689 174.700 0.143 0.000 1.044 239 T CA 1.573 63.905 62.100 0.387 0.000 1.139 239 T CB -0.108 68.971 68.868 0.351 0.000 0.867 239 T HN 0.311 nan 8.240 nan 0.000 0.454 240 K N 0.781 121.249 120.400 0.113 0.000 2.025 240 K HA -0.061 4.268 4.320 0.016 0.000 0.207 240 K C 2.233 178.855 176.600 0.038 0.000 1.049 240 K CA 0.971 57.292 56.287 0.057 0.000 0.933 240 K CB -0.282 32.245 32.500 0.045 0.000 0.714 240 K HN 0.122 nan 8.250 nan 0.000 0.438 241 V N 1.341 121.276 119.914 0.034 0.000 2.255 241 V HA -0.265 3.865 4.120 0.016 0.000 0.247 241 V C 2.359 178.403 176.094 -0.082 0.000 1.051 241 V CA 1.890 64.174 62.300 -0.027 0.000 1.018 241 V CB -0.665 31.122 31.823 -0.059 0.000 0.641 241 V HN 0.450 nan 8.190 nan 0.000 0.445 242 H N -0.211 118.873 119.070 0.023 0.000 2.423 242 H HA -0.098 4.472 4.556 0.024 0.000 0.297 242 H C 2.473 177.725 175.328 -0.127 0.000 1.075 242 H CA 1.876 57.863 56.048 -0.101 0.000 1.342 242 H CB -0.400 29.181 29.762 -0.301 0.000 1.395 242 H HN 0.418 nan 8.280 nan 0.000 0.530 243 T N 0.854 115.389 114.554 -0.031 0.000 2.708 243 T HA -0.135 4.224 4.350 0.016 0.000 0.266 243 T C 1.913 176.654 174.700 0.069 0.000 1.037 243 T CA 1.425 63.512 62.100 -0.022 0.000 1.146 243 T CB -0.075 68.778 68.868 -0.026 0.000 0.865 243 T HN 0.482 nan 8.240 nan 0.000 0.435 244 E N -0.040 120.203 120.200 0.071 0.000 2.058 244 E HA -0.131 4.229 4.350 0.016 0.000 0.194 244 E C 2.488 179.155 176.600 0.113 0.000 0.997 244 E CA 1.173 57.643 56.400 0.117 0.000 0.801 244 E CB -0.290 29.448 29.700 0.064 0.000 0.746 244 E HN 0.392 nan 8.360 nan 0.000 0.450 245 c N 0.031 118.686 118.600 0.092 0.000 2.422 245 c HA -0.120 4.460 4.570 0.016 0.000 0.279 245 c C 2.730 176.892 174.090 0.119 0.000 1.305 245 c CA 0.323 56.719 56.329 0.112 0.000 1.757 245 c CB -0.662 41.989 42.510 0.236 0.000 1.962 245 c HN 0.610 nan 8.230 nan 0.000 0.499 246 c N -1.389 117.293 118.600 0.137 0.000 2.495 246 c HA -0.038 4.542 4.570 0.016 0.000 0.275 246 c C 2.351 176.556 174.090 0.192 0.000 1.392 246 c CA 0.535 56.966 56.329 0.169 0.000 1.766 246 c CB -1.680 40.898 42.510 0.112 0.000 1.933 246 c HN 0.724 nan 8.230 nan 0.000 0.519 247 H N -0.118 119.000 119.070 0.081 0.000 2.539 247 H HA 0.162 4.726 4.556 0.014 0.000 0.269 247 H C 1.713 177.120 175.328 0.133 0.000 0.980 247 H CA 0.943 57.054 56.048 0.106 0.000 1.152 247 H CB -0.014 29.805 29.762 0.095 0.000 1.407 247 H HN 0.476 nan 8.280 nan 0.000 0.564 248 G N 1.532 110.279 108.800 -0.088 0.000 2.175 248 G HA2 -0.220 3.749 3.960 0.016 0.000 0.244 248 G HA3 -0.220 3.749 3.960 0.016 0.000 0.244 248 G C -0.197 174.576 174.900 -0.211 0.000 0.982 248 G CA 0.240 45.205 45.100 -0.226 0.000 0.641 248 G HN 0.498 nan 8.290 nan 0.000 0.527 249 D N 1.524 121.865 120.400 -0.097 0.000 2.619 249 D HA 0.347 4.996 4.640 0.016 0.000 0.224 249 D C 2.064 178.276 176.300 -0.146 0.000 1.133 249 D CA -0.251 53.661 54.000 -0.148 0.000 1.017 249 D CB 0.113 40.925 40.800 0.020 0.000 1.077 249 D HN 0.362 nan 8.370 nan 0.000 0.503 250 L N -0.074 121.021 121.223 -0.213 0.000 2.056 250 L HA -0.147 4.202 4.340 0.016 0.000 0.207 250 L C 2.372 179.147 176.870 -0.158 0.000 1.078 250 L CA 0.792 55.530 54.840 -0.170 0.000 0.749 250 L CB -0.320 41.618 42.059 -0.200 0.000 0.901 250 L HN 0.283 nan 8.230 nan 0.000 0.433 251 L N 0.114 121.219 121.223 -0.196 0.000 2.012 251 L HA -0.209 4.141 4.340 0.016 0.000 0.210 251 L C 2.892 179.707 176.870 -0.092 0.000 1.073 251 L CA 1.400 56.155 54.840 -0.142 0.000 0.748 251 L CB -0.661 41.323 42.059 -0.124 0.000 0.891 251 L HN 0.437 nan 8.230 nan 0.000 0.431 252 E N -0.426 119.721 120.200 -0.087 0.000 2.158 252 E HA -0.209 4.151 4.350 0.016 0.000 0.191 252 E C 2.345 178.927 176.600 -0.030 0.000 0.982 252 E CA 1.307 57.682 56.400 -0.041 0.000 0.823 252 E CB -1.073 28.616 29.700 -0.017 0.000 0.766 252 E HN 0.534 nan 8.360 nan 0.000 0.468 253 c N 1.834 120.410 118.600 -0.040 0.000 2.413 253 c HA 0.021 4.600 4.570 0.016 0.000 0.277 253 c C 3.064 177.129 174.090 -0.043 0.000 1.228 253 c CA 1.746 58.061 56.329 -0.023 0.000 1.731 253 c CB -1.057 41.446 42.510 -0.013 0.000 2.042 253 c HN 0.548 nan 8.230 nan 0.000 0.468 254 A N -0.001 122.774 122.820 -0.074 0.000 1.865 254 A HA -0.215 4.114 4.320 0.016 0.000 0.217 254 A C 2.096 179.652 177.584 -0.047 0.000 1.191 254 A CA 2.297 54.284 52.037 -0.082 0.000 0.623 254 A CB -1.112 17.833 19.000 -0.092 0.000 0.826 254 A HN 0.712 nan 8.150 nan 0.000 0.444 255 D N -0.037 120.337 120.400 -0.043 0.000 2.106 255 D HA -0.172 4.478 4.640 0.016 0.000 0.191 255 D C 1.349 177.647 176.300 -0.004 0.000 0.997 255 D CA 1.640 55.621 54.000 -0.032 0.000 0.834 255 D CB -0.296 40.470 40.800 -0.057 0.000 0.956 255 D HN 0.382 nan 8.370 nan 0.000 0.448 256 D N -0.078 120.324 120.400 0.003 0.000 2.144 256 D HA -0.142 4.508 4.640 0.016 0.000 0.199 256 D C 2.124 178.439 176.300 0.025 0.000 0.984 256 D CA 0.434 54.446 54.000 0.020 0.000 0.834 256 D CB -0.233 40.579 40.800 0.021 0.000 0.955 256 D HN 0.271 nan 8.370 nan 0.000 0.465 257 R N 0.670 121.178 120.500 0.014 0.000 2.081 257 R HA -0.095 4.255 4.340 0.016 0.000 0.235 257 R C 2.085 178.410 176.300 0.041 0.000 1.131 257 R CA 1.360 57.478 56.100 0.031 0.000 0.960 257 R CB -0.080 30.223 30.300 0.004 0.000 0.856 257 R HN 0.093 nan 8.270 nan 0.000 0.436 258 A N 1.217 124.053 122.820 0.026 0.000 1.898 258 A HA -0.166 4.164 4.320 0.016 0.000 0.216 258 A C 1.642 179.258 177.584 0.053 0.000 1.181 258 A CA 1.738 53.797 52.037 0.037 0.000 0.620 258 A CB -0.437 18.577 19.000 0.022 0.000 0.819 258 A HN 0.363 nan 8.150 nan 0.000 0.442 259 D N -0.244 120.188 120.400 0.053 0.000 2.104 259 D HA -0.154 4.495 4.640 0.016 0.000 0.194 259 D C 1.876 178.235 176.300 0.099 0.000 0.994 259 D CA 1.464 55.506 54.000 0.071 0.000 0.830 259 D CB -0.518 40.319 40.800 0.061 0.000 0.959 259 D HN 0.350 nan 8.370 nan 0.000 0.452 260 L N 1.196 122.470 121.223 0.085 0.000 2.012 260 L HA -0.138 4.211 4.340 0.016 0.000 0.210 260 L C 2.195 179.150 176.870 0.142 0.000 1.073 260 L CA 2.001 56.906 54.840 0.109 0.000 0.748 260 L CB -0.838 41.273 42.059 0.086 0.000 0.891 260 L HN -0.014 nan 8.230 nan 0.000 0.431 261 A N -0.641 122.244 122.820 0.107 0.000 1.940 261 A HA -0.292 4.038 4.320 0.016 0.000 0.219 261 A C 2.485 180.119 177.584 0.084 0.000 1.176 261 A CA 2.129 54.222 52.037 0.094 0.000 0.631 261 A CB -0.681 18.365 19.000 0.076 0.000 0.814 261 A HN 0.554 nan 8.150 nan 0.000 0.446 262 K N -1.892 118.561 120.400 0.089 0.000 2.057 262 K HA -0.181 4.149 4.320 0.016 0.000 0.206 262 K C 1.949 178.593 176.600 0.074 0.000 1.050 262 K CA 1.564 57.894 56.287 0.071 0.000 0.935 262 K CB -0.363 32.181 32.500 0.072 0.000 0.715 262 K HN 0.531 nan 8.250 nan 0.000 0.439 263 Y N 1.637 121.940 120.300 0.005 0.000 2.145 263 Y HA -0.197 4.360 4.550 0.012 0.000 0.286 263 Y C 1.845 177.730 175.900 -0.025 0.000 1.145 263 Y CA 1.667 59.763 58.100 -0.007 0.000 1.148 263 Y CB -0.143 38.315 38.460 -0.004 0.000 0.981 263 Y HN 0.002 nan 8.280 nan 0.000 0.507 264 I N -0.915 119.704 120.570 0.082 0.000 2.163 264 I HA -0.425 3.754 4.170 0.016 0.000 0.243 264 I C 2.455 178.497 176.117 -0.126 0.000 1.085 264 I CA 1.573 62.853 61.300 -0.032 0.000 1.347 264 I CB -0.749 37.273 38.000 0.036 0.000 1.044 264 I HN 0.353 nan 8.210 nan 0.000 0.408 265 c N 0.540 119.099 118.600 -0.068 0.000 2.435 265 c HA -0.113 4.466 4.570 0.016 0.000 0.279 265 c C 2.628 176.654 174.090 -0.107 0.000 1.321 265 c CA 0.668 56.957 56.329 -0.067 0.000 1.752 265 c CB -1.065 41.432 42.510 -0.022 0.000 1.959 265 c HN 0.490 nan 8.230 nan 0.000 0.500 266 E N 1.090 121.199 120.200 -0.152 0.000 2.028 266 E HA -0.146 4.213 4.350 0.016 0.000 0.191 266 E C 1.224 177.692 176.600 -0.220 0.000 0.988 266 E CA 1.230 57.528 56.400 -0.170 0.000 0.799 266 E CB -0.276 29.313 29.700 -0.186 0.000 0.755 266 E HN 0.693 nan 8.360 nan 0.000 0.447 267 N N 1.014 119.500 118.700 -0.356 0.000 2.383 267 N HA -0.067 4.682 4.740 0.016 0.000 0.192 267 N C 1.259 176.634 175.510 -0.224 0.000 1.141 267 N CA 0.002 52.860 53.050 -0.320 0.000 0.851 267 N CB 0.069 38.265 38.487 -0.485 0.000 0.976 267 N HN 0.172 nan 8.380 nan 0.000 0.465 268 Q N 1.086 120.772 119.800 -0.189 0.000 2.207 268 Q HA -0.321 4.029 4.340 0.016 0.000 0.215 268 Q C 0.565 176.495 176.000 -0.117 0.000 1.006 268 Q CA 1.833 57.550 55.803 -0.143 0.000 0.903 268 Q CB -0.068 28.614 28.738 -0.095 0.000 0.947 268 Q HN 0.347 nan 8.270 nan 0.000 0.414 269 D N -0.464 119.878 120.400 -0.096 0.000 2.219 269 D HA -0.077 4.573 4.640 0.016 0.000 0.205 269 D C 1.387 177.648 176.300 -0.065 0.000 0.970 269 D CA 1.441 55.400 54.000 -0.067 0.000 0.851 269 D CB 0.007 40.775 40.800 -0.054 0.000 0.943 269 D HN 0.397 nan 8.370 nan 0.000 0.488 270 S N -1.056 114.592 115.700 -0.087 0.000 2.572 270 S HA 0.268 4.748 4.470 0.016 0.000 0.228 270 S C 1.524 176.070 174.600 -0.090 0.000 0.963 270 S CA -0.335 57.825 58.200 -0.068 0.000 0.939 270 S CB 0.396 63.560 63.200 -0.060 0.000 0.804 270 S HN 0.167 nan 8.310 nan 0.000 0.480 271 I N -0.256 120.227 120.570 -0.145 0.000 3.674 271 I HA 0.321 4.500 4.170 0.016 0.000 0.248 271 I C 0.542 176.544 176.117 -0.191 0.000 1.134 271 I CA -0.014 61.127 61.300 -0.265 0.000 1.519 271 I CB 0.489 38.204 38.000 -0.476 0.000 1.598 271 I HN 0.278 nan 8.210 nan 0.000 0.442 272 S N -0.758 114.857 115.700 -0.142 0.000 2.535 272 S HA 0.311 4.791 4.470 0.016 0.000 0.272 272 S C 0.251 174.871 174.600 0.033 0.000 1.149 272 S CA -0.493 57.738 58.200 0.051 0.000 0.888 272 S CB 1.768 65.159 63.200 0.318 0.000 1.110 272 S HN 0.151 nan 8.310 nan 0.000 0.463 273 S N 2.915 118.644 115.700 0.048 0.000 2.428 273 S HA -0.020 4.460 4.470 0.016 0.000 0.230 273 S C 1.497 176.120 174.600 0.037 0.000 1.014 273 S CA 0.522 58.739 58.200 0.028 0.000 0.957 273 S CB -0.107 63.106 63.200 0.022 0.000 0.784 273 S HN 0.646 nan 8.310 nan 0.000 0.499 274 K N 1.593 122.031 120.400 0.064 0.000 2.439 274 K HA 0.165 4.495 4.320 0.016 0.000 0.197 274 K C 1.397 178.035 176.600 0.064 0.000 1.041 274 K CA 0.384 56.708 56.287 0.061 0.000 0.970 274 K CB -0.491 32.051 32.500 0.070 0.000 0.773 274 K HN 0.411 nan 8.250 nan 0.000 0.479 275 L N 0.846 122.107 121.223 0.063 0.000 2.478 275 L HA -0.072 4.278 4.340 0.016 0.000 0.223 275 L C 2.772 179.658 176.870 0.028 0.000 1.140 275 L CA 0.844 55.714 54.840 0.050 0.000 0.842 275 L CB -0.870 41.204 42.059 0.025 0.000 0.953 275 L HN 0.124 nan 8.230 nan 0.000 0.452 276 K N 0.919 121.331 120.400 0.020 0.000 2.015 276 K HA -0.282 4.048 4.320 0.016 0.000 0.216 276 K C 2.200 178.813 176.600 0.020 0.000 1.052 276 K CA 2.353 58.648 56.287 0.014 0.000 0.937 276 K CB -1.573 30.934 32.500 0.011 0.000 0.719 276 K HN 0.494 nan 8.250 nan 0.000 0.446 277 E N -0.076 120.140 120.200 0.027 0.000 2.106 277 E HA -0.102 4.258 4.350 0.016 0.000 0.192 277 E C 2.344 178.968 176.600 0.039 0.000 0.984 277 E CA 1.366 57.785 56.400 0.031 0.000 0.806 277 E CB -1.359 28.361 29.700 0.033 0.000 0.750 277 E HN 0.707 nan 8.360 nan 0.000 0.458 278 c N -0.240 118.386 118.600 0.043 0.000 2.413 278 c HA -0.152 4.427 4.570 0.016 0.000 0.277 278 c C 2.875 176.993 174.090 0.046 0.000 1.228 278 c CA 0.989 57.349 56.329 0.051 0.000 1.731 278 c CB -1.070 41.472 42.510 0.054 0.000 2.042 278 c HN 0.806 nan 8.230 nan 0.000 0.468 279 c N 0.611 119.231 118.600 0.034 0.000 2.419 279 c HA -0.020 4.560 4.570 0.016 0.000 0.283 279 c C 2.694 176.799 174.090 0.025 0.000 1.373 279 c CA 1.538 57.882 56.329 0.025 0.000 1.781 279 c CB -1.845 40.670 42.510 0.009 0.000 1.886 279 c HN 0.813 nan 8.230 nan 0.000 0.520 280 E N 1.285 121.502 120.200 0.028 0.000 2.489 280 E HA 0.029 4.388 4.350 0.016 0.000 0.193 280 E C 0.634 177.255 176.600 0.034 0.000 1.057 280 E CA 0.138 56.554 56.400 0.026 0.000 0.866 280 E CB -0.318 29.395 29.700 0.023 0.000 0.916 280 E HN 0.895 nan 8.360 nan 0.000 0.500 281 K N -0.301 120.126 120.400 0.044 0.000 2.258 281 K HA 0.666 4.995 4.320 0.016 0.000 0.236 281 K C -2.776 173.859 176.600 0.058 0.000 1.008 281 K CA -2.311 54.008 56.287 0.054 0.000 0.869 281 K CB 1.150 33.692 32.500 0.069 0.000 1.171 281 K HN -0.202 nan 8.250 nan 0.000 0.447 282 P HA -0.118 nan 4.420 nan 0.000 0.267 282 P C 0.737 178.083 177.300 0.077 0.000 1.201 282 P CA -0.348 62.789 63.100 0.062 0.000 0.775 282 P CB 0.309 32.045 31.700 0.061 0.000 0.854 283 L N 3.576 124.839 121.223 0.066 0.000 1.997 283 L HA -0.264 4.086 4.340 0.016 0.000 0.227 283 L C 2.051 178.979 176.870 0.097 0.000 1.087 283 L CA 2.002 56.883 54.840 0.070 0.000 0.797 283 L CB -1.361 40.730 42.059 0.054 0.000 0.902 283 L HN 0.383 nan 8.230 nan 0.000 0.441 284 L N -1.120 120.177 121.223 0.123 0.000 2.013 284 L HA -0.281 4.068 4.340 0.016 0.000 0.212 284 L C 2.566 179.592 176.870 0.259 0.000 1.073 284 L CA 1.759 56.718 54.840 0.199 0.000 0.753 284 L CB -0.724 41.483 42.059 0.247 0.000 0.890 284 L HN 0.343 nan 8.230 nan 0.000 0.432 285 E N 0.434 120.795 120.200 0.270 0.000 2.051 285 E HA -0.226 4.134 4.350 0.016 0.000 0.192 285 E C 2.043 178.732 176.600 0.148 0.000 0.991 285 E CA 1.524 58.095 56.400 0.285 0.000 0.799 285 E CB -0.184 29.660 29.700 0.241 0.000 0.748 285 E HN 0.518 nan 8.360 nan 0.000 0.449 286 K N -0.157 120.310 120.400 0.112 0.000 2.211 286 K HA 0.061 4.390 4.320 0.016 0.000 0.203 286 K C 2.034 178.674 176.600 0.067 0.000 1.050 286 K CA 1.426 57.761 56.287 0.081 0.000 0.945 286 K CB -0.036 32.505 32.500 0.067 0.000 0.732 286 K HN -0.118 nan 8.250 nan 0.000 0.451 287 S N 0.745 116.486 115.700 0.069 0.000 2.357 287 S HA -0.154 4.325 4.470 0.016 0.000 0.221 287 S C 1.831 176.446 174.600 0.025 0.000 1.031 287 S CA 1.309 59.545 58.200 0.061 0.000 0.982 287 S CB -0.445 62.794 63.200 0.065 0.000 0.853 287 S HN 0.612 nan 8.310 nan 0.000 0.458 288 H N 0.165 119.141 119.070 -0.156 0.000 2.353 288 H HA -0.068 4.491 4.556 0.005 0.000 0.300 288 H C 2.424 177.648 175.328 -0.173 0.000 1.090 288 H CA 1.790 57.647 56.048 -0.319 0.000 1.327 288 H CB -0.683 28.494 29.762 -0.975 0.000 1.383 288 H HN 0.418 nan 8.280 nan 0.000 0.508 289 c N 0.028 118.608 118.600 -0.033 0.000 2.436 289 c HA -0.114 4.466 4.570 0.016 0.000 0.277 289 c C 2.777 176.852 174.090 -0.024 0.000 1.241 289 c CA 1.188 57.513 56.329 -0.006 0.000 1.721 289 c CB -1.339 41.208 42.510 0.062 0.000 2.043 289 c HN 0.709 nan 8.230 nan 0.000 0.472 290 I N 1.460 122.041 120.570 0.019 0.000 2.264 290 I HA -0.212 3.968 4.170 0.016 0.000 0.248 290 I C 2.799 178.946 176.117 0.050 0.000 1.111 290 I CA 1.710 63.052 61.300 0.069 0.000 1.382 290 I CB -0.623 37.438 38.000 0.102 0.000 1.060 290 I HN 0.440 nan 8.210 nan 0.000 0.418 291 A N 0.141 122.953 122.820 -0.013 0.000 1.972 291 A HA -0.151 4.178 4.320 0.016 0.000 0.219 291 A C 2.030 179.560 177.584 -0.090 0.000 1.169 291 A CA 1.445 53.464 52.037 -0.029 0.000 0.635 291 A CB -0.230 18.741 19.000 -0.047 0.000 0.810 291 A HN 0.352 nan 8.150 nan 0.000 0.446 292 E N 0.014 120.120 120.200 -0.156 0.000 2.481 292 E HA 0.112 4.472 4.350 0.016 0.000 0.198 292 E C 0.742 177.301 176.600 -0.068 0.000 1.027 292 E CA 0.300 56.623 56.400 -0.130 0.000 0.900 292 E CB -0.455 29.134 29.700 -0.184 0.000 0.993 292 E HN 0.519 nan 8.360 nan 0.000 0.482 293 V N 0.038 119.927 119.914 -0.040 0.000 2.953 293 V HA 0.162 4.292 4.120 0.016 0.000 0.304 293 V C 0.484 176.544 176.094 -0.057 0.000 1.138 293 V CA 0.187 62.477 62.300 -0.016 0.000 1.266 293 V CB -0.467 31.386 31.823 0.050 0.000 0.923 293 V HN 0.224 nan 8.190 nan 0.000 0.505 294 E N 3.216 123.392 120.200 -0.040 0.000 2.374 294 E HA 0.304 4.664 4.350 0.016 0.000 0.260 294 E C 0.219 176.766 176.600 -0.088 0.000 1.101 294 E CA -0.693 55.668 56.400 -0.064 0.000 0.907 294 E CB 0.135 29.811 29.700 -0.040 0.000 1.014 294 E HN 0.921 nan 8.360 nan 0.000 0.427 295 N N 1.994 120.622 118.700 -0.120 0.000 2.441 295 N HA 0.041 4.790 4.740 0.016 0.000 0.251 295 N C -0.270 175.200 175.510 -0.067 0.000 1.242 295 N CA -0.160 52.808 53.050 -0.138 0.000 0.898 295 N CB 0.680 39.079 38.487 -0.146 0.000 1.100 295 N HN 0.729 nan 8.380 nan 0.000 0.443 296 D N 0.556 120.940 120.400 -0.026 0.000 2.398 296 D HA 0.147 4.797 4.640 0.016 0.000 0.247 296 D C -0.075 176.215 176.300 -0.017 0.000 1.227 296 D CA -0.092 53.922 54.000 0.022 0.000 0.980 296 D CB 0.524 41.381 40.800 0.095 0.000 1.106 296 D HN 0.545 nan 8.370 nan 0.000 0.493 297 E N 0.984 121.177 120.200 -0.011 0.000 2.373 297 E HA 0.192 4.551 4.350 0.016 0.000 0.267 297 E C 0.255 176.832 176.600 -0.039 0.000 1.032 297 E CA -0.274 56.107 56.400 -0.031 0.000 0.889 297 E CB 0.260 29.947 29.700 -0.023 0.000 0.984 297 E HN 0.517 nan 8.360 nan 0.000 0.425 298 M N 2.852 122.413 119.600 -0.066 0.000 2.235 298 M HA 0.327 4.816 4.480 0.016 0.000 0.351 298 M C -2.185 174.072 176.300 -0.070 0.000 1.178 298 M CA -1.439 53.811 55.300 -0.084 0.000 1.143 298 M CB 1.007 33.530 32.600 -0.128 0.000 1.530 298 M HN 0.302 nan 8.290 nan 0.000 0.461 299 P HA 0.079 nan 4.420 nan 0.000 0.269 299 P C -0.652 176.610 177.300 -0.063 0.000 1.217 299 P CA -0.033 63.037 63.100 -0.050 0.000 0.783 299 P CB 0.544 32.219 31.700 -0.041 0.000 0.898 300 A N 1.675 124.466 122.820 -0.049 0.000 2.260 300 A HA -0.010 4.319 4.320 0.016 0.000 0.208 300 A C 0.337 177.887 177.584 -0.057 0.000 1.588 300 A CA 0.744 52.750 52.037 -0.052 0.000 0.600 300 A CB -1.101 17.876 19.000 -0.038 0.000 1.142 300 A HN 0.530 nan 8.150 nan 0.000 0.494 301 D N 1.355 121.730 120.400 -0.043 0.000 2.398 301 D HA 0.333 4.982 4.640 0.016 0.000 0.250 301 D C -0.827 175.448 176.300 -0.042 0.000 1.287 301 D CA 0.583 54.558 54.000 -0.041 0.000 0.992 301 D CB 0.045 40.828 40.800 -0.028 0.000 1.071 301 D HN 0.198 nan 8.370 nan 0.000 0.514 302 L N 4.212 125.399 121.223 -0.060 0.000 2.295 302 L HA 0.302 4.651 4.340 0.016 0.000 0.285 302 L C -1.540 175.300 176.870 -0.050 0.000 1.035 302 L CA -1.778 53.026 54.840 -0.060 0.000 0.806 302 L CB 1.051 43.052 42.059 -0.097 0.000 1.214 302 L HN 0.095 nan 8.230 nan 0.000 0.426 303 P HA -0.004 nan 4.420 nan 0.000 0.266 303 P C -0.323 176.970 177.300 -0.013 0.000 1.193 303 P CA -0.288 62.803 63.100 -0.016 0.000 0.770 303 P CB 0.514 32.210 31.700 -0.007 0.000 0.836 304 S N 1.835 117.536 115.700 0.002 0.000 2.549 304 S HA 0.037 4.517 4.470 0.016 0.000 0.286 304 S C 1.476 176.120 174.600 0.072 0.000 1.314 304 S CA -0.571 57.644 58.200 0.025 0.000 1.062 304 S CB 0.162 63.382 63.200 0.034 0.000 0.865 304 S HN 0.391 nan 8.310 nan 0.000 0.498 305 L N 2.619 123.912 121.223 0.117 0.000 2.083 305 L HA -0.110 4.240 4.340 0.016 0.000 0.209 305 L C 2.961 180.068 176.870 0.396 0.000 1.083 305 L CA 1.571 56.575 54.840 0.274 0.000 0.752 305 L CB -1.024 41.132 42.059 0.163 0.000 0.899 305 L HN 0.966 nan 8.230 nan 0.000 0.433 306 A N 0.143 123.096 122.820 0.222 0.000 1.873 306 A HA -0.288 4.041 4.320 0.016 0.000 0.218 306 A C 2.577 180.205 177.584 0.074 0.000 1.193 306 A CA 2.043 54.085 52.037 0.009 0.000 0.629 306 A CB -0.986 17.902 19.000 -0.187 0.000 0.826 306 A HN 0.415 nan 8.150 nan 0.000 0.447 307 A N -0.318 122.532 122.820 0.050 0.000 1.929 307 A HA -0.305 4.024 4.320 0.016 0.000 0.221 307 A C 1.678 179.258 177.584 -0.006 0.000 1.211 307 A CA 2.450 54.500 52.037 0.023 0.000 0.657 307 A CB -0.678 18.326 19.000 0.007 0.000 0.827 307 A HN 0.496 nan 8.150 nan 0.000 0.462 308 D N -2.743 117.609 120.400 -0.080 0.000 2.367 308 D HA 0.204 4.854 4.640 0.016 0.000 0.207 308 D C 0.535 176.590 176.300 -0.409 0.000 1.034 308 D CA 0.420 54.241 54.000 -0.298 0.000 0.861 308 D CB 0.089 40.572 40.800 -0.529 0.000 0.943 308 D HN 0.495 nan 8.370 nan 0.000 0.515 309 F N -0.888 119.193 119.950 0.217 0.000 2.706 309 F HA 0.210 4.746 4.527 0.016 0.000 0.313 309 F C 1.540 177.494 175.800 0.257 0.000 1.096 309 F CA -0.060 58.125 58.000 0.308 0.000 1.219 309 F CB 0.805 39.973 39.000 0.280 0.000 1.051 309 F HN -0.209 nan 8.300 nan 0.000 0.568 310 V N -1.630 118.467 119.914 0.305 0.000 3.261 310 V HA 0.032 4.161 4.120 0.016 0.000 0.212 310 V C 1.657 178.005 176.094 0.423 0.000 1.381 310 V CA 0.338 62.825 62.300 0.312 0.000 1.322 310 V CB 0.319 32.207 31.823 0.107 0.000 1.188 310 V HN -0.009 nan 8.190 nan 0.000 0.520 311 E N 0.753 121.102 120.200 0.248 0.000 2.107 311 E HA -0.020 4.339 4.350 0.016 0.000 0.191 311 E C 1.260 177.923 176.600 0.105 0.000 0.982 311 E CA 0.863 57.402 56.400 0.232 0.000 0.809 311 E CB 0.070 29.837 29.700 0.113 0.000 0.756 311 E HN 0.422 nan 8.360 nan 0.000 0.459 312 S N -0.045 115.706 115.700 0.085 0.000 2.559 312 S HA 0.046 4.526 4.470 0.016 0.000 0.282 312 S C 0.945 175.555 174.600 0.017 0.000 1.336 312 S CA 0.800 59.015 58.200 0.025 0.000 1.037 312 S CB 0.995 64.208 63.200 0.022 0.000 0.853 312 S HN 0.247 nan 8.310 nan 0.000 0.523 313 K N 1.502 121.880 120.400 -0.036 0.000 2.374 313 K HA 0.208 4.538 4.320 0.016 0.000 0.196 313 K C 0.547 177.150 176.600 0.006 0.000 1.023 313 K CA 0.910 57.169 56.287 -0.047 0.000 1.103 313 K CB -0.393 32.053 32.500 -0.091 0.000 0.848 313 K HN 0.841 nan 8.250 nan 0.000 0.528 314 D N -0.329 120.071 120.400 -0.000 0.000 2.424 314 D HA 0.124 4.774 4.640 0.016 0.000 0.220 314 D C 1.242 177.496 176.300 -0.077 0.000 1.150 314 D CA -0.124 53.857 54.000 -0.030 0.000 0.831 314 D CB 0.846 41.619 40.800 -0.045 0.000 0.981 314 D HN 0.092 nan 8.370 nan 0.000 0.500 315 V N 0.043 119.949 119.914 -0.013 0.000 2.233 315 V HA -0.334 3.795 4.120 0.016 0.000 0.247 315 V C 2.363 178.353 176.094 -0.173 0.000 1.050 315 V CA 1.512 63.763 62.300 -0.082 0.000 1.010 315 V CB -0.504 31.285 31.823 -0.057 0.000 0.637 315 V HN 0.445 nan 8.190 nan 0.000 0.444 316 c N -0.203 118.393 118.600 -0.007 0.000 2.425 316 c HA -0.163 4.417 4.570 0.016 0.000 0.277 316 c C 2.809 176.899 174.090 0.000 0.000 1.280 316 c CA 1.428 57.787 56.329 0.050 0.000 1.744 316 c CB -1.006 41.581 42.510 0.127 0.000 1.989 316 c HN 0.626 nan 8.230 nan 0.000 0.491 317 K N 1.038 121.407 120.400 -0.052 0.000 2.026 317 K HA -0.151 4.179 4.320 0.016 0.000 0.208 317 K C 1.694 178.205 176.600 -0.148 0.000 1.048 317 K CA 1.628 57.871 56.287 -0.073 0.000 0.929 317 K CB -0.312 32.152 32.500 -0.060 0.000 0.713 317 K HN 0.446 nan 8.250 nan 0.000 0.439 318 N N 0.159 118.682 118.700 -0.294 0.000 2.244 318 N HA -0.180 4.570 4.740 0.016 0.000 0.183 318 N C 1.679 176.932 175.510 -0.427 0.000 1.016 318 N CA 0.926 53.704 53.050 -0.452 0.000 0.866 318 N CB -0.396 37.579 38.487 -0.854 0.000 0.980 318 N HN 0.307 nan 8.380 nan 0.000 0.430 319 Y N 1.558 121.543 120.300 -0.524 0.000 2.293 319 Y HA -0.037 4.523 4.550 0.016 0.000 0.291 319 Y C 2.182 178.029 175.900 -0.088 0.000 1.137 319 Y CA 1.117 59.086 58.100 -0.219 0.000 1.202 319 Y CB -0.307 38.064 38.460 -0.148 0.000 0.990 319 Y HN 0.055 nan 8.280 nan 0.000 0.537 320 A N -0.027 122.670 122.820 -0.204 0.000 1.861 320 A HA -0.028 4.301 4.320 0.016 0.000 0.212 320 A C 2.048 179.537 177.584 -0.159 0.000 1.199 320 A CA 1.133 53.032 52.037 -0.230 0.000 0.613 320 A CB -0.508 18.426 19.000 -0.109 0.000 0.846 320 A HN 0.363 nan 8.150 nan 0.000 0.446 321 E N -0.055 120.081 120.200 -0.107 0.000 2.160 321 E HA -0.080 4.280 4.350 0.016 0.000 0.195 321 E C 0.663 177.238 176.600 -0.042 0.000 0.991 321 E CA 1.251 57.612 56.400 -0.065 0.000 0.810 321 E CB -0.190 29.478 29.700 -0.052 0.000 0.742 321 E HN 0.560 nan 8.360 nan 0.000 0.466 322 A N 0.774 123.570 122.820 -0.041 0.000 3.411 322 A HA 0.157 4.487 4.320 0.016 0.000 0.238 322 A C 1.052 178.686 177.584 0.083 0.000 1.140 322 A CA -0.154 51.900 52.037 0.027 0.000 0.980 322 A CB 0.130 19.176 19.000 0.077 0.000 1.371 322 A HN 0.096 nan 8.150 nan 0.000 0.700 323 K N 0.064 120.455 120.400 -0.015 0.000 2.015 323 K HA -0.247 4.082 4.320 0.016 0.000 0.216 323 K C 0.923 177.651 176.600 0.214 0.000 1.052 323 K CA 2.035 58.358 56.287 0.059 0.000 0.937 323 K CB -0.246 32.131 32.500 -0.206 0.000 0.719 323 K HN 0.289 nan 8.250 nan 0.000 0.446 324 D N 0.677 121.162 120.400 0.142 0.000 2.116 324 D HA -0.134 4.516 4.640 0.016 0.000 0.193 324 D C 2.099 178.527 176.300 0.213 0.000 0.998 324 D CA 1.391 55.492 54.000 0.169 0.000 0.836 324 D CB -0.141 40.735 40.800 0.127 0.000 0.951 324 D HN 0.140 nan 8.370 nan 0.000 0.449 325 V N 0.267 120.309 119.914 0.215 0.000 2.379 325 V HA -0.181 3.948 4.120 0.016 0.000 0.245 325 V C 2.151 178.374 176.094 0.216 0.000 1.044 325 V CA 1.115 63.552 62.300 0.228 0.000 1.036 325 V CB -0.484 31.462 31.823 0.206 0.000 0.664 325 V HN 0.140 nan 8.190 nan 0.000 0.453 326 F N 0.202 120.232 119.950 0.134 0.000 2.113 326 F HA -0.152 4.384 4.527 0.016 0.000 0.297 326 F C 2.111 178.077 175.800 0.276 0.000 1.103 326 F CA 1.622 59.745 58.000 0.204 0.000 1.248 326 F CB -0.015 39.133 39.000 0.248 0.000 0.999 326 F HN 0.018 nan 8.300 nan 0.000 0.475 327 L N -0.225 121.187 121.223 0.315 0.000 2.083 327 L HA -0.165 4.185 4.340 0.016 0.000 0.209 327 L C 2.777 179.744 176.870 0.161 0.000 1.083 327 L CA 1.218 56.194 54.840 0.227 0.000 0.752 327 L CB -1.656 40.560 42.059 0.261 0.000 0.899 327 L HN 0.330 nan 8.230 nan 0.000 0.433 328 G N -0.093 108.800 108.800 0.156 0.000 2.446 328 G HA2 -0.258 3.711 3.960 0.016 0.000 0.217 328 G HA3 -0.258 3.711 3.960 0.016 0.000 0.217 328 G C 1.621 176.502 174.900 -0.031 0.000 1.168 328 G CA 0.600 45.809 45.100 0.182 0.000 0.771 328 G HN 0.090 nan 8.290 nan 0.000 0.551 329 M N -0.253 119.142 119.600 -0.342 0.000 2.082 329 M HA -0.056 4.433 4.480 0.016 0.000 0.258 329 M C 2.389 178.626 176.300 -0.104 0.000 1.069 329 M CA 1.160 56.213 55.300 -0.412 0.000 1.102 329 M CB -1.118 31.350 32.600 -0.219 0.000 1.336 329 M HN 0.297 nan 8.290 nan 0.000 0.404 330 F N 1.180 120.893 119.950 -0.395 0.000 2.069 330 F HA -0.268 4.268 4.527 0.016 0.000 0.298 330 F C 2.196 177.760 175.800 -0.393 0.000 1.113 330 F CA 1.509 59.042 58.000 -0.779 0.000 1.214 330 F CB -0.490 38.026 39.000 -0.807 0.000 0.978 330 F HN 0.003 nan 8.300 nan 0.000 0.474 331 L N -0.030 121.166 121.223 -0.046 0.000 1.989 331 L HA -0.241 4.109 4.340 0.016 0.000 0.211 331 L C 2.319 179.142 176.870 -0.079 0.000 1.071 331 L CA 2.275 57.076 54.840 -0.064 0.000 0.749 331 L CB -1.697 40.404 42.059 0.070 0.000 0.890 331 L HN 0.432 nan 8.230 nan 0.000 0.431 332 Y N 0.544 120.813 120.300 -0.052 0.000 2.114 332 Y HA -0.282 4.277 4.550 0.015 0.000 0.282 332 Y C 2.380 178.235 175.900 -0.075 0.000 1.165 332 Y CA 2.355 60.473 58.100 0.029 0.000 1.148 332 Y CB -0.299 38.322 38.460 0.268 0.000 0.972 332 Y HN 0.341 nan 8.280 nan 0.000 0.504 333 E N -1.010 118.999 120.200 -0.317 0.000 2.106 333 E HA -0.217 4.143 4.350 0.016 0.000 0.192 333 E C 2.056 178.371 176.600 -0.473 0.000 0.984 333 E CA 1.316 57.451 56.400 -0.442 0.000 0.806 333 E CB -0.729 28.863 29.700 -0.179 0.000 0.750 333 E HN 0.610 nan 8.360 nan 0.000 0.458 334 Y N 1.211 121.130 120.300 -0.635 0.000 2.184 334 Y HA -0.095 4.464 4.550 0.015 0.000 0.290 334 Y C 2.368 178.041 175.900 -0.379 0.000 1.129 334 Y CA 1.152 58.901 58.100 -0.585 0.000 1.144 334 Y CB -0.423 37.504 38.460 -0.888 0.000 0.995 334 Y HN 0.006 nan 8.280 nan 0.000 0.513 335 A N 1.146 123.872 122.820 -0.157 0.000 1.858 335 A HA -0.231 4.099 4.320 0.016 0.000 0.216 335 A C 2.323 179.775 177.584 -0.220 0.000 1.190 335 A CA 2.095 54.035 52.037 -0.162 0.000 0.617 335 A CB -0.829 18.069 19.000 -0.170 0.000 0.827 335 A HN 0.572 nan 8.150 nan 0.000 0.443 336 R N 0.417 120.733 120.500 -0.308 0.000 2.139 336 R HA -0.188 4.162 4.340 0.016 0.000 0.243 336 R C 1.645 177.759 176.300 -0.309 0.000 1.145 336 R CA 1.742 57.653 56.100 -0.315 0.000 0.976 336 R CB -0.522 29.511 30.300 -0.444 0.000 0.866 336 R HN 0.658 nan 8.270 nan 0.000 0.449 337 R N -0.191 120.089 120.500 -0.367 0.000 2.388 337 R HA 0.163 4.512 4.340 0.016 0.000 0.247 337 R C -0.295 175.582 176.300 -0.704 0.000 0.931 337 R CA -0.052 55.767 56.100 -0.468 0.000 1.082 337 R CB 0.176 30.182 30.300 -0.490 0.000 1.135 337 R HN 0.289 nan 8.270 nan 0.000 0.525 338 H N 0.776 119.618 119.070 -0.380 0.000 2.514 338 H HA 0.225 4.790 4.556 0.015 0.000 0.226 338 H C -2.287 172.840 175.328 -0.335 0.000 1.421 338 H CA -1.760 54.000 56.048 -0.481 0.000 1.394 338 H CB 1.878 31.163 29.762 -0.795 0.000 1.701 338 H HN 0.089 nan 8.280 nan 0.000 0.515 339 P HA -0.047 nan 4.420 nan 0.000 0.242 339 P C 1.034 178.278 177.300 -0.093 0.000 1.197 339 P CA 0.736 63.749 63.100 -0.146 0.000 0.765 339 P CB 0.320 31.926 31.700 -0.155 0.000 0.936 340 D N -2.897 117.471 120.400 -0.054 0.000 2.369 340 D HA -0.030 4.620 4.640 0.016 0.000 0.211 340 D C -0.128 176.310 176.300 0.229 0.000 1.077 340 D CA 0.008 54.036 54.000 0.047 0.000 0.842 340 D CB -0.098 40.738 40.800 0.060 0.000 0.947 340 D HN 0.086 nan 8.370 nan 0.000 0.509 341 Y N 1.989 122.258 120.300 -0.052 0.000 2.360 341 Y HA 0.311 4.870 4.550 0.015 0.000 0.337 341 Y C 0.907 176.725 175.900 -0.136 0.000 1.039 341 Y CA -2.371 55.665 58.100 -0.107 0.000 1.109 341 Y CB 1.696 40.056 38.460 -0.166 0.000 1.201 341 Y HN -0.123 nan 8.280 nan 0.000 0.458 342 S N 0.542 116.245 115.700 0.005 0.000 2.579 342 S HA 0.178 4.658 4.470 0.016 0.000 0.275 342 S C 1.078 175.605 174.600 -0.121 0.000 1.345 342 S CA -0.651 57.511 58.200 -0.063 0.000 1.031 342 S CB 0.980 64.144 63.200 -0.060 0.000 0.892 342 S HN 0.428 nan 8.310 nan 0.000 0.529 343 V N 2.303 122.096 119.914 -0.201 0.000 2.287 343 V HA -0.214 3.916 4.120 0.016 0.000 0.248 343 V C 2.663 178.614 176.094 -0.238 0.000 1.053 343 V CA 2.148 64.244 62.300 -0.341 0.000 1.027 343 V CB -1.328 30.081 31.823 -0.690 0.000 0.646 343 V HN 0.931 nan 8.190 nan 0.000 0.447 344 V N -1.126 118.715 119.914 -0.121 0.000 2.469 344 V HA -0.219 3.911 4.120 0.016 0.000 0.251 344 V C 2.339 178.359 176.094 -0.123 0.000 1.064 344 V CA 2.220 64.480 62.300 -0.068 0.000 1.066 344 V CB -0.932 30.883 31.823 -0.013 0.000 0.667 344 V HN 0.472 nan 8.190 nan 0.000 0.461 345 L N 0.122 121.250 121.223 -0.159 0.000 2.044 345 L HA 0.046 4.396 4.340 0.016 0.000 0.205 345 L C 2.300 179.000 176.870 -0.284 0.000 1.075 345 L CA 1.800 56.502 54.840 -0.231 0.000 0.747 345 L CB -0.690 41.190 42.059 -0.299 0.000 0.903 345 L HN 0.279 nan 8.230 nan 0.000 0.435 346 L N -0.976 120.098 121.223 -0.248 0.000 2.079 346 L HA -0.233 4.116 4.340 0.016 0.000 0.210 346 L C 2.488 179.194 176.870 -0.273 0.000 1.081 346 L CA 1.242 55.902 54.840 -0.299 0.000 0.752 346 L CB -0.568 41.354 42.059 -0.229 0.000 0.896 346 L HN 0.316 nan 8.230 nan 0.000 0.433 347 L N -0.932 120.173 121.223 -0.195 0.000 2.156 347 L HA -0.145 4.205 4.340 0.016 0.000 0.208 347 L C 2.743 179.540 176.870 -0.122 0.000 1.095 347 L CA 1.009 55.774 54.840 -0.125 0.000 0.770 347 L CB -0.416 41.598 42.059 -0.074 0.000 0.914 347 L HN 0.182 nan 8.230 nan 0.000 0.439 348 R N -0.029 120.376 120.500 -0.158 0.000 2.092 348 R HA -0.083 4.267 4.340 0.016 0.000 0.231 348 R C 2.270 178.463 176.300 -0.179 0.000 1.119 348 R CA 1.039 57.056 56.100 -0.138 0.000 0.970 348 R CB -0.280 29.933 30.300 -0.145 0.000 0.864 348 R HN 0.313 nan 8.270 nan 0.000 0.440 349 L N 0.077 121.086 121.223 -0.357 0.000 2.027 349 L HA -0.109 4.240 4.340 0.016 0.000 0.206 349 L C 2.713 179.425 176.870 -0.263 0.000 1.074 349 L CA 1.166 55.628 54.840 -0.631 0.000 0.745 349 L CB -0.704 40.611 42.059 -1.240 0.000 0.898 349 L HN 0.234 nan 8.230 nan 0.000 0.433 350 A N 0.416 123.155 122.820 -0.135 0.000 1.883 350 A HA -0.287 4.042 4.320 0.016 0.000 0.217 350 A C 2.314 179.925 177.584 0.045 0.000 1.186 350 A CA 2.227 54.305 52.037 0.068 0.000 0.624 350 A CB -0.472 18.567 19.000 0.065 0.000 0.822 350 A HN 0.221 nan 8.150 nan 0.000 0.444 351 K N -0.545 119.861 120.400 0.010 0.000 2.057 351 K HA -0.081 4.248 4.320 0.016 0.000 0.207 351 K C 1.983 178.606 176.600 0.039 0.000 1.049 351 K CA 2.233 58.533 56.287 0.021 0.000 0.931 351 K CB -0.931 31.573 32.500 0.005 0.000 0.714 351 K HN 0.420 nan 8.250 nan 0.000 0.440 352 T N 0.001 114.606 114.554 0.085 0.000 2.821 352 T HA -0.125 4.235 4.350 0.016 0.000 0.267 352 T C 1.284 176.082 174.700 0.163 0.000 1.046 352 T CA 1.271 63.463 62.100 0.154 0.000 1.139 352 T CB -0.488 68.562 68.868 0.302 0.000 0.871 352 T HN 0.250 nan 8.240 nan 0.000 0.454 353 Y N 2.055 122.381 120.300 0.043 0.000 2.128 353 Y HA -0.151 4.409 4.550 0.016 0.000 0.284 353 Y C 2.483 178.246 175.900 -0.229 0.000 1.154 353 Y CA 1.675 59.679 58.100 -0.160 0.000 1.149 353 Y CB -0.449 37.606 38.460 -0.674 0.000 0.976 353 Y HN 0.286 nan 8.280 nan 0.000 0.505 354 E N -1.152 118.918 120.200 -0.218 0.000 2.077 354 E HA -0.201 4.159 4.350 0.016 0.000 0.193 354 E C 1.947 178.406 176.600 -0.236 0.000 0.989 354 E CA 1.989 58.232 56.400 -0.262 0.000 0.800 354 E CB -0.143 29.534 29.700 -0.039 0.000 0.746 354 E HN 0.487 nan 8.360 nan 0.000 0.452 355 T N -0.054 114.431 114.554 -0.115 0.000 2.746 355 T HA -0.121 4.238 4.350 0.016 0.000 0.267 355 T C 1.866 176.497 174.700 -0.115 0.000 1.039 355 T CA 1.712 63.767 62.100 -0.075 0.000 1.142 355 T CB -0.451 68.404 68.868 -0.022 0.000 0.866 355 T HN 0.220 nan 8.240 nan 0.000 0.444 356 T N 2.146 116.615 114.554 -0.141 0.000 2.881 356 T HA 0.099 4.458 4.350 0.016 0.000 0.270 356 T C 1.887 176.468 174.700 -0.199 0.000 1.068 356 T CA 0.700 62.724 62.100 -0.127 0.000 1.131 356 T CB -0.261 68.557 68.868 -0.084 0.000 0.871 356 T HN 0.256 nan 8.240 nan 0.000 0.479 357 L N 0.444 121.411 121.223 -0.427 0.000 2.127 357 L HA 0.033 4.383 4.340 0.016 0.000 0.203 357 L C 2.754 179.397 176.870 -0.378 0.000 1.080 357 L CA 1.062 55.576 54.840 -0.543 0.000 0.768 357 L CB -0.467 40.939 42.059 -1.088 0.000 0.924 357 L HN 0.199 nan 8.230 nan 0.000 0.444 358 E N 1.349 121.351 120.200 -0.330 0.000 2.130 358 E HA -0.261 4.098 4.350 0.016 0.000 0.196 358 E C 2.148 178.753 176.600 0.008 0.000 0.998 358 E CA 2.446 58.827 56.400 -0.033 0.000 0.806 358 E CB 0.035 29.751 29.700 0.027 0.000 0.738 358 E HN 0.319 nan 8.360 nan 0.000 0.459 359 K N -0.444 119.938 120.400 -0.030 0.000 2.141 359 K HA 0.091 4.420 4.320 0.016 0.000 0.202 359 K C 2.402 179.008 176.600 0.009 0.000 1.045 359 K CA 0.818 57.104 56.287 -0.003 0.000 0.971 359 K CB -1.097 31.397 32.500 -0.010 0.000 0.795 359 K HN 0.305 nan 8.250 nan 0.000 0.459 360 c N 0.365 118.971 118.600 0.010 0.000 2.413 360 c HA -0.096 4.483 4.570 0.016 0.000 0.276 360 c C 2.508 176.642 174.090 0.075 0.000 1.248 360 c CA 0.809 57.169 56.329 0.053 0.000 1.742 360 c CB -0.914 41.689 42.510 0.154 0.000 2.017 360 c HN 0.736 nan 8.230 nan 0.000 0.481 361 c N 0.983 119.633 118.600 0.083 0.000 2.511 361 c HA 0.275 4.855 4.570 0.016 0.000 0.300 361 c C 2.224 176.360 174.090 0.078 0.000 1.393 361 c CA 0.756 57.149 56.329 0.106 0.000 1.637 361 c CB -2.327 40.267 42.510 0.140 0.000 1.637 361 c HN 0.729 nan 8.230 nan 0.000 0.595 362 A N -0.220 122.632 122.820 0.053 0.000 2.066 362 A HA 0.629 4.959 4.320 0.016 0.000 0.198 362 A C 1.373 178.970 177.584 0.022 0.000 1.405 362 A CA 0.712 52.772 52.037 0.038 0.000 0.973 362 A CB -0.564 18.457 19.000 0.036 0.000 1.026 362 A HN 0.456 nan 8.150 nan 0.000 0.474 363 A N -0.114 122.715 122.820 0.015 0.000 2.339 363 A HA 0.504 4.833 4.320 0.016 0.000 0.272 363 A C 1.792 179.375 177.584 -0.003 0.000 1.182 363 A CA 0.542 52.580 52.037 0.001 0.000 0.819 363 A CB -0.585 18.409 19.000 -0.010 0.000 1.115 363 A HN 1.342 nan 8.150 nan 0.000 0.512 364 A N -0.429 122.385 122.820 -0.012 0.000 1.836 364 A HA -0.045 4.285 4.320 0.016 0.000 0.215 364 A C 1.026 178.600 177.584 -0.017 0.000 1.214 364 A CA 2.233 54.262 52.037 -0.013 0.000 0.636 364 A CB -0.708 18.282 19.000 -0.017 0.000 0.847 364 A HN 0.860 nan 8.150 nan 0.000 0.451 365 D N -1.307 119.073 120.400 -0.033 0.000 2.477 365 D HA 0.442 5.091 4.640 0.016 0.000 0.239 365 D C -1.966 174.283 176.300 -0.086 0.000 1.102 365 D CA -2.130 51.846 54.000 -0.041 0.000 0.901 365 D CB 1.049 41.826 40.800 -0.039 0.000 1.026 365 D HN -0.036 nan 8.370 nan 0.000 0.515 366 P HA -0.242 nan 4.420 nan 0.000 0.217 366 P C 1.040 178.019 177.300 -0.535 0.000 1.162 366 P CA 1.223 64.237 63.100 -0.143 0.000 0.901 366 P CB 0.058 31.785 31.700 0.044 0.000 0.793 367 H N -0.278 118.463 119.070 -0.548 0.000 2.431 367 H HA -0.162 4.404 4.556 0.016 0.000 0.297 367 H C 1.723 176.696 175.328 -0.591 0.000 1.115 367 H CA 1.709 57.332 56.048 -0.708 0.000 1.277 367 H CB -0.267 29.341 29.762 -0.257 0.000 1.372 367 H HN 0.107 nan 8.280 nan 0.000 0.516 368 E N -0.777 119.156 120.200 -0.444 0.000 2.086 368 E HA -0.111 4.249 4.350 0.016 0.000 0.190 368 E C 2.659 179.070 176.600 -0.315 0.000 0.975 368 E CA 0.854 57.032 56.400 -0.369 0.000 0.813 368 E CB -1.080 28.498 29.700 -0.203 0.000 0.768 368 E HN 0.506 nan 8.360 nan 0.000 0.457 369 c N 1.625 120.055 118.600 -0.284 0.000 2.413 369 c HA -0.168 4.412 4.570 0.016 0.000 0.277 369 c C 2.243 176.277 174.090 -0.092 0.000 1.265 369 c CA 1.290 57.520 56.329 -0.165 0.000 1.752 369 c CB -1.068 41.377 42.510 -0.109 0.000 1.998 369 c HN 0.525 nan 8.230 nan 0.000 0.489 370 Y N -0.458 119.811 120.300 -0.052 0.000 2.636 370 Y HA 0.677 5.237 4.550 0.017 0.000 0.260 370 Y C 1.466 177.347 175.900 -0.032 0.000 1.177 370 Y CA -0.419 57.659 58.100 -0.037 0.000 1.209 370 Y CB -1.432 37.014 38.460 -0.024 0.000 1.166 370 Y HN 0.107 nan 8.280 nan 0.000 0.531 371 A N 0.527 123.324 122.820 -0.039 0.000 2.168 371 A HA 0.041 4.371 4.320 0.016 0.000 0.215 371 A C 1.436 179.003 177.584 -0.027 0.000 1.152 371 A CA 0.639 52.635 52.037 -0.068 0.000 0.716 371 A CB -0.273 18.534 19.000 -0.323 0.000 0.794 371 A HN 0.165 nan 8.150 nan 0.000 0.465 372 K N -1.023 119.375 120.400 -0.004 0.000 2.646 372 K HA 0.280 4.610 4.320 0.016 0.000 0.206 372 K C 1.001 177.604 176.600 0.004 0.000 1.069 372 K CA 0.365 56.647 56.287 -0.008 0.000 1.067 372 K CB -0.082 32.404 32.500 -0.023 0.000 0.807 372 K HN 0.291 nan 8.250 nan 0.000 0.482 373 V N 0.125 120.065 119.914 0.042 0.000 2.594 373 V HA -0.137 3.992 4.120 0.016 0.000 0.253 373 V C 1.416 177.309 176.094 -0.336 0.000 1.069 373 V CA 1.872 64.135 62.300 -0.063 0.000 1.082 373 V CB -0.570 31.316 31.823 0.106 0.000 0.680 373 V HN 0.517 nan 8.190 nan 0.000 0.469 374 F N 0.510 120.236 119.950 -0.373 0.000 2.325 374 F HA -0.011 4.526 4.527 0.016 0.000 0.299 374 F C 2.105 177.797 175.800 -0.180 0.000 1.090 374 F CA 1.345 59.155 58.000 -0.317 0.000 1.392 374 F CB -0.893 38.138 39.000 0.052 0.000 1.053 374 F HN 0.290 nan 8.300 nan 0.000 0.521 375 D N 0.067 120.504 120.400 0.062 0.000 2.144 375 D HA -0.146 4.503 4.640 0.016 0.000 0.199 375 D C 1.948 178.253 176.300 0.008 0.000 0.984 375 D CA 1.153 55.181 54.000 0.048 0.000 0.834 375 D CB -0.190 40.627 40.800 0.027 0.000 0.955 375 D HN 0.308 nan 8.370 nan 0.000 0.465 376 E N -0.930 119.222 120.200 -0.080 0.000 2.478 376 E HA -0.096 4.264 4.350 0.016 0.000 0.198 376 E C 1.160 177.817 176.600 0.095 0.000 1.046 376 E CA 0.155 56.535 56.400 -0.033 0.000 0.870 376 E CB 0.083 29.744 29.700 -0.065 0.000 0.818 376 E HN 0.305 nan 8.360 nan 0.000 0.527 377 F N 1.059 121.025 119.950 0.027 0.000 2.179 377 F HA -0.027 4.510 4.527 0.017 0.000 0.292 377 F C 2.804 178.567 175.800 -0.061 0.000 1.089 377 F CA 0.955 58.924 58.000 -0.052 0.000 1.295 377 F CB -1.219 37.718 39.000 -0.105 0.000 1.041 377 F HN -0.059 nan 8.300 nan 0.000 0.487 378 K N 0.813 121.322 120.400 0.182 0.000 2.090 378 K HA -0.252 4.077 4.320 0.016 0.000 0.218 378 K C -0.148 176.473 176.600 0.035 0.000 1.055 378 K CA 2.625 58.965 56.287 0.089 0.000 0.941 378 K CB -2.807 29.744 32.500 0.085 0.000 0.722 378 K HN 0.248 nan 8.250 nan 0.000 0.458 379 P HA -0.098 nan 4.420 nan 0.000 0.215 379 P C 1.377 178.667 177.300 -0.015 0.000 1.153 379 P CA 1.018 64.126 63.100 0.012 0.000 0.853 379 P CB -0.035 31.677 31.700 0.021 0.000 0.788 380 L N -1.791 119.423 121.223 -0.015 0.000 2.291 380 L HA -0.073 4.277 4.340 0.016 0.000 0.214 380 L C 2.119 178.895 176.870 -0.157 0.000 1.120 380 L CA 0.795 55.592 54.840 -0.071 0.000 0.799 380 L CB -0.503 41.520 42.059 -0.061 0.000 0.925 380 L HN -0.115 nan 8.230 nan 0.000 0.446 381 V N -0.741 119.069 119.914 -0.173 0.000 2.725 381 V HA -0.115 4.014 4.120 0.016 0.000 0.247 381 V C 2.122 178.097 176.094 -0.198 0.000 1.058 381 V CA 1.172 63.294 62.300 -0.297 0.000 1.080 381 V CB -0.007 31.617 31.823 -0.332 0.000 0.713 381 V HN 0.390 nan 8.190 nan 0.000 0.465 382 E N -0.254 119.884 120.200 -0.104 0.000 2.158 382 E HA -0.159 4.201 4.350 0.016 0.000 0.191 382 E C 2.231 178.799 176.600 -0.053 0.000 0.982 382 E CA 0.584 56.947 56.400 -0.062 0.000 0.823 382 E CB -0.039 29.645 29.700 -0.026 0.000 0.766 382 E HN 0.466 nan 8.360 nan 0.000 0.468 383 E N 1.115 121.282 120.200 -0.054 0.000 2.070 383 E HA -0.173 4.186 4.350 0.016 0.000 0.197 383 E C -0.746 175.830 176.600 -0.040 0.000 1.004 383 E CA 1.597 57.974 56.400 -0.038 0.000 0.805 383 E CB -0.809 28.868 29.700 -0.038 0.000 0.744 383 E HN 0.186 nan 8.360 nan 0.000 0.451 384 P HA -0.081 nan 4.420 nan 0.000 0.215 384 P C 1.485 178.759 177.300 -0.043 0.000 1.157 384 P CA 1.371 64.435 63.100 -0.060 0.000 0.859 384 P CB -0.133 31.502 31.700 -0.108 0.000 0.786 385 Q N -0.702 119.062 119.800 -0.059 0.000 2.077 385 Q HA -0.215 4.135 4.340 0.016 0.000 0.206 385 Q C 1.986 177.982 176.000 -0.007 0.000 0.989 385 Q CA 1.596 57.379 55.803 -0.033 0.000 0.853 385 Q CB -0.465 28.252 28.738 -0.036 0.000 0.907 385 Q HN 0.277 nan 8.270 nan 0.000 0.418 386 N N 0.679 119.376 118.700 -0.006 0.000 2.039 386 N HA -0.182 4.567 4.740 0.016 0.000 0.193 386 N C 1.849 177.371 175.510 0.020 0.000 1.044 386 N CA 0.945 54.000 53.050 0.008 0.000 0.847 386 N CB -0.634 37.858 38.487 0.007 0.000 1.030 386 N HN 0.204 nan 8.380 nan 0.000 0.422 387 L N 1.100 122.337 121.223 0.022 0.000 2.051 387 L HA -0.194 4.156 4.340 0.016 0.000 0.214 387 L C 1.870 178.772 176.870 0.053 0.000 1.076 387 L CA 1.309 56.174 54.840 0.043 0.000 0.758 387 L CB -0.189 41.896 42.059 0.044 0.000 0.890 387 L HN 0.090 nan 8.230 nan 0.000 0.433 388 I N -0.453 120.139 120.570 0.037 0.000 2.315 388 I HA -0.254 3.926 4.170 0.016 0.000 0.248 388 I C 2.780 178.917 176.117 0.033 0.000 1.117 388 I CA 1.307 62.630 61.300 0.038 0.000 1.404 388 I CB -1.500 36.514 38.000 0.024 0.000 1.071 388 I HN 0.237 nan 8.210 nan 0.000 0.419 389 K N 0.795 121.211 120.400 0.027 0.000 2.025 389 K HA -0.140 4.190 4.320 0.016 0.000 0.207 389 K C 2.067 178.685 176.600 0.030 0.000 1.049 389 K CA 1.321 57.623 56.287 0.024 0.000 0.933 389 K CB -0.378 32.134 32.500 0.021 0.000 0.714 389 K HN 0.550 nan 8.250 nan 0.000 0.438 390 Q N 0.681 120.505 119.800 0.040 0.000 2.050 390 Q HA -0.146 4.204 4.340 0.016 0.000 0.202 390 Q C 2.054 178.093 176.000 0.065 0.000 0.980 390 Q CA 1.830 57.663 55.803 0.050 0.000 0.840 390 Q CB -0.460 28.314 28.738 0.059 0.000 0.898 390 Q HN 0.663 nan 8.270 nan 0.000 0.424 391 N N 0.238 118.994 118.700 0.093 0.000 2.515 391 N HA -0.079 4.671 4.740 0.016 0.000 0.185 391 N C 1.253 176.745 175.510 -0.029 0.000 1.109 391 N CA 0.713 53.842 53.050 0.131 0.000 0.903 391 N CB -0.504 38.161 38.487 0.296 0.000 0.969 391 N HN 0.157 nan 8.380 nan 0.000 0.450 392 c N 0.551 119.144 118.600 -0.011 0.000 2.507 392 c HA 0.186 4.766 4.570 0.016 0.000 0.280 392 c C 2.415 176.509 174.090 0.006 0.000 1.345 392 c CA 0.094 56.410 56.329 -0.022 0.000 1.736 392 c CB -0.486 42.022 42.510 -0.005 0.000 2.060 392 c HN 0.518 nan 8.230 nan 0.000 0.498 393 E N 0.530 120.731 120.200 0.002 0.000 2.072 393 E HA -0.203 4.157 4.350 0.016 0.000 0.191 393 E C 1.947 178.530 176.600 -0.027 0.000 0.985 393 E CA 0.898 57.296 56.400 -0.004 0.000 0.801 393 E CB -0.254 29.450 29.700 0.007 0.000 0.750 393 E HN 0.413 nan 8.360 nan 0.000 0.452 394 L N 0.693 121.904 121.223 -0.019 0.000 2.017 394 L HA -0.174 4.176 4.340 0.016 0.000 0.208 394 L C 2.166 178.953 176.870 -0.139 0.000 1.073 394 L CA 1.455 56.284 54.840 -0.018 0.000 0.745 394 L CB -0.538 41.576 42.059 0.091 0.000 0.894 394 L HN 0.077 nan 8.230 nan 0.000 0.432 395 F N 0.843 120.485 119.950 -0.514 0.000 2.043 395 F HA -0.307 4.230 4.527 0.017 0.000 0.297 395 F C 2.374 177.994 175.800 -0.299 0.000 1.121 395 F CA 2.305 59.880 58.000 -0.707 0.000 1.199 395 F CB -0.584 37.942 39.000 -0.791 0.000 0.968 395 F HN 0.202 nan 8.300 nan 0.000 0.478 396 E N -0.398 119.605 120.200 -0.328 0.000 2.097 396 E HA -0.336 4.023 4.350 0.016 0.000 0.196 396 E C 2.135 178.569 176.600 -0.277 0.000 1.000 396 E CA 1.648 57.849 56.400 -0.332 0.000 0.804 396 E CB -0.390 29.240 29.700 -0.115 0.000 0.740 396 E HN 0.617 nan 8.360 nan 0.000 0.454 397 Q N -0.160 119.532 119.800 -0.181 0.000 2.488 397 Q HA -0.069 4.280 4.340 0.016 0.000 0.211 397 Q C 1.282 177.220 176.000 -0.103 0.000 0.967 397 Q CA 0.750 56.487 55.803 -0.110 0.000 0.926 397 Q CB 0.321 29.027 28.738 -0.053 0.000 0.992 397 Q HN 0.302 nan 8.270 nan 0.000 0.506 398 L N -2.311 118.814 121.223 -0.163 0.000 3.154 398 L HA 0.407 4.757 4.340 0.016 0.000 0.280 398 L C 0.653 177.456 176.870 -0.112 0.000 1.134 398 L CA 0.009 54.802 54.840 -0.078 0.000 1.037 398 L CB 0.989 43.071 42.059 0.038 0.000 1.571 398 L HN 0.228 nan 8.230 nan 0.000 0.576 399 G N 1.409 110.000 108.800 -0.350 0.000 2.712 399 G HA2 -0.248 3.722 3.960 0.016 0.000 0.686 399 G HA3 -0.248 3.722 3.960 0.016 0.000 0.686 399 G C 0.222 175.112 174.900 -0.016 0.000 1.321 399 G CA 0.195 45.097 45.100 -0.330 0.000 0.813 399 G HN 0.256 nan 8.290 nan 0.000 0.599 400 E N -0.072 120.251 120.200 0.203 0.000 2.035 400 E HA -0.271 4.089 4.350 0.016 0.000 0.204 400 E C 2.064 178.887 176.600 0.372 0.000 1.025 400 E CA 2.458 59.161 56.400 0.506 0.000 0.835 400 E CB -0.247 29.710 29.700 0.428 0.000 0.764 400 E HN 0.786 nan 8.360 nan 0.000 0.457 401 Y N 0.754 121.155 120.300 0.170 0.000 2.081 401 Y HA -0.337 4.222 4.550 0.015 0.000 0.280 401 Y C 2.457 178.431 175.900 0.123 0.000 1.163 401 Y CA 3.460 61.632 58.100 0.120 0.000 1.135 401 Y CB -0.845 37.664 38.460 0.081 0.000 0.970 401 Y HN 0.110 nan 8.280 nan 0.000 0.498 402 K N 0.014 120.476 120.400 0.103 0.000 2.097 402 K HA -0.203 4.127 4.320 0.016 0.000 0.206 402 K C 2.031 178.664 176.600 0.054 0.000 1.049 402 K CA 1.578 57.868 56.287 0.006 0.000 0.933 402 K CB -1.846 30.721 32.500 0.112 0.000 0.717 402 K HN 0.543 nan 8.250 nan 0.000 0.442 403 F N 2.224 122.173 119.950 -0.000 0.000 2.095 403 F HA -0.195 4.341 4.527 0.015 0.000 0.298 403 F C 2.458 178.265 175.800 0.011 0.000 1.104 403 F CA 2.099 60.134 58.000 0.058 0.000 1.232 403 F CB -0.467 38.664 39.000 0.218 0.000 0.987 403 F HN 0.419 nan 8.300 nan 0.000 0.475 404 Q N -0.094 119.620 119.800 -0.142 0.000 2.096 404 Q HA -0.229 4.120 4.340 0.016 0.000 0.204 404 Q C 1.962 177.807 176.000 -0.258 0.000 0.982 404 Q CA 1.589 57.223 55.803 -0.282 0.000 0.850 404 Q CB -0.473 28.171 28.738 -0.156 0.000 0.901 404 Q HN 0.433 nan 8.270 nan 0.000 0.422 405 N N 0.722 119.266 118.700 -0.261 0.000 2.149 405 N HA -0.155 4.595 4.740 0.016 0.000 0.188 405 N C 1.672 177.110 175.510 -0.120 0.000 1.019 405 N CA 1.453 54.374 53.050 -0.216 0.000 0.857 405 N CB -0.310 38.011 38.487 -0.276 0.000 0.997 405 N HN 0.277 nan 8.380 nan 0.000 0.426 406 A N 1.083 123.848 122.820 -0.092 0.000 1.930 406 A HA -0.013 4.316 4.320 0.016 0.000 0.217 406 A C 2.413 179.965 177.584 -0.053 0.000 1.175 406 A CA 0.764 52.781 52.037 -0.033 0.000 0.627 406 A CB -0.585 18.442 19.000 0.044 0.000 0.815 406 A HN 0.190 nan 8.150 nan 0.000 0.443 407 L N -0.861 120.267 121.223 -0.158 0.000 2.056 407 L HA -0.133 4.217 4.340 0.016 0.000 0.207 407 L C 2.579 179.440 176.870 -0.015 0.000 1.078 407 L CA 0.893 55.665 54.840 -0.113 0.000 0.749 407 L CB -0.506 41.350 42.059 -0.338 0.000 0.901 407 L HN 0.382 nan 8.230 nan 0.000 0.433 408 L N -0.588 120.582 121.223 -0.088 0.000 2.013 408 L HA -0.271 4.078 4.340 0.016 0.000 0.212 408 L C 2.468 179.338 176.870 -0.001 0.000 1.073 408 L CA 1.324 56.133 54.840 -0.052 0.000 0.753 408 L CB -0.231 41.779 42.059 -0.081 0.000 0.890 408 L HN 0.087 nan 8.230 nan 0.000 0.432 409 V N -0.881 119.030 119.914 -0.006 0.000 2.379 409 V HA -0.240 3.890 4.120 0.016 0.000 0.245 409 V C 2.527 178.627 176.094 0.010 0.000 1.044 409 V CA 1.616 63.919 62.300 0.004 0.000 1.036 409 V CB -0.520 31.306 31.823 0.004 0.000 0.664 409 V HN 0.392 nan 8.190 nan 0.000 0.453 410 R N -0.424 120.094 120.500 0.029 0.000 2.080 410 R HA -0.178 4.171 4.340 0.016 0.000 0.236 410 R C 2.181 178.446 176.300 -0.058 0.000 1.137 410 R CA 2.043 58.145 56.100 0.003 0.000 0.943 410 R CB -0.606 29.724 30.300 0.051 0.000 0.846 410 R HN 0.525 nan 8.270 nan 0.000 0.431 411 Y N -0.399 119.860 120.300 -0.069 0.000 2.373 411 Y HA -0.045 4.516 4.550 0.017 0.000 0.293 411 Y C 2.277 178.131 175.900 -0.078 0.000 1.129 411 Y CA 1.588 59.645 58.100 -0.072 0.000 1.226 411 Y CB -0.136 38.259 38.460 -0.108 0.000 1.000 411 Y HN 0.115 nan 8.280 nan 0.000 0.549 412 T N -0.316 114.257 114.554 0.033 0.000 2.821 412 T HA -0.143 4.217 4.350 0.016 0.000 0.267 412 T C 1.767 176.402 174.700 -0.108 0.000 1.046 412 T CA 1.348 63.425 62.100 -0.039 0.000 1.139 412 T CB -0.076 68.772 68.868 -0.034 0.000 0.871 412 T HN 0.306 nan 8.240 nan 0.000 0.454 413 K N 0.921 121.268 120.400 -0.089 0.000 2.103 413 K HA 0.030 4.360 4.320 0.016 0.000 0.204 413 K C 2.343 178.873 176.600 -0.116 0.000 1.052 413 K CA 0.859 57.085 56.287 -0.102 0.000 0.945 413 K CB -0.009 32.456 32.500 -0.058 0.000 0.722 413 K HN 0.239 nan 8.250 nan 0.000 0.443 414 K N 0.677 120.999 120.400 -0.130 0.000 2.057 414 K HA -0.087 4.243 4.320 0.016 0.000 0.207 414 K C 1.059 177.605 176.600 -0.090 0.000 1.049 414 K CA 1.330 57.539 56.287 -0.131 0.000 0.931 414 K CB 0.192 32.559 32.500 -0.221 0.000 0.714 414 K HN 0.074 nan 8.250 nan 0.000 0.440 415 V N -2.617 117.248 119.914 -0.083 0.000 2.468 415 V HA 0.277 4.407 4.120 0.016 0.000 0.256 415 V C -2.677 173.334 176.094 -0.140 0.000 0.998 415 V CA -1.499 60.757 62.300 -0.074 0.000 1.114 415 V CB 1.109 32.932 31.823 -0.001 0.000 1.378 415 V HN -0.083 nan 8.190 nan 0.000 0.573 416 P HA -0.100 nan 4.420 nan 0.000 0.223 416 P C 1.354 178.452 177.300 -0.336 0.000 1.144 416 P CA 1.334 64.108 63.100 -0.542 0.000 0.783 416 P CB 0.240 31.093 31.700 -1.410 0.000 0.771 417 Q N -1.139 118.579 119.800 -0.137 0.000 2.230 417 Q HA -0.000 4.349 4.340 0.016 0.000 0.202 417 Q C 0.621 176.644 176.000 0.038 0.000 0.963 417 Q CA 0.451 56.268 55.803 0.024 0.000 0.866 417 Q CB -0.888 27.900 28.738 0.084 0.000 0.931 417 Q HN 0.103 nan 8.270 nan 0.000 0.452 418 V N 2.070 121.992 119.914 0.013 0.000 2.673 418 V HA -0.015 4.114 4.120 0.016 0.000 0.303 418 V C 0.602 176.707 176.094 0.020 0.000 1.046 418 V CA -0.126 62.199 62.300 0.042 0.000 1.126 418 V CB 0.832 32.666 31.823 0.017 0.000 0.934 418 V HN 0.361 nan 8.190 nan 0.000 0.487 419 S N 3.630 119.348 115.700 0.031 0.000 2.558 419 S HA -0.011 4.468 4.470 0.016 0.000 0.288 419 S C 1.333 175.927 174.600 -0.010 0.000 1.318 419 S CA 0.371 58.576 58.200 0.009 0.000 1.056 419 S CB 0.931 64.135 63.200 0.005 0.000 0.853 419 S HN 0.818 nan 8.310 nan 0.000 0.505 420 T N 5.038 119.580 114.554 -0.019 0.000 2.624 420 T HA -0.065 4.295 4.350 0.016 0.000 0.268 420 T C -0.889 173.790 174.700 -0.036 0.000 1.041 420 T CA 2.151 64.233 62.100 -0.030 0.000 1.159 420 T CB -1.576 67.267 68.868 -0.041 0.000 0.863 420 T HN 0.654 nan 8.240 nan 0.000 0.434 421 P HA -0.051 nan 4.420 nan 0.000 0.215 421 P C 1.591 178.868 177.300 -0.038 0.000 1.153 421 P CA 1.251 64.327 63.100 -0.040 0.000 0.853 421 P CB -0.235 31.441 31.700 -0.041 0.000 0.788 422 T N -0.509 114.025 114.554 -0.033 0.000 2.777 422 T HA -0.056 4.304 4.350 0.016 0.000 0.266 422 T C 1.765 176.432 174.700 -0.056 0.000 1.040 422 T CA 0.945 63.023 62.100 -0.038 0.000 1.141 422 T CB -0.887 67.971 68.868 -0.018 0.000 0.868 422 T HN 0.039 nan 8.240 nan 0.000 0.444 423 L N 0.697 121.890 121.223 -0.049 0.000 2.046 423 L HA -0.098 4.252 4.340 0.016 0.000 0.208 423 L C 2.631 179.456 176.870 -0.075 0.000 1.077 423 L CA 0.914 55.718 54.840 -0.061 0.000 0.747 423 L CB -0.542 41.493 42.059 -0.040 0.000 0.896 423 L HN 0.150 nan 8.230 nan 0.000 0.432 424 V N -0.188 119.692 119.914 -0.058 0.000 2.295 424 V HA -0.295 3.834 4.120 0.016 0.000 0.246 424 V C 2.470 178.526 176.094 -0.063 0.000 1.049 424 V CA 2.030 64.297 62.300 -0.054 0.000 1.024 424 V CB -0.371 31.431 31.823 -0.035 0.000 0.648 424 V HN 0.464 nan 8.190 nan 0.000 0.447 425 E N 0.339 120.503 120.200 -0.059 0.000 2.023 425 E HA -0.206 4.154 4.350 0.016 0.000 0.196 425 E C 2.069 178.615 176.600 -0.089 0.000 1.003 425 E CA 2.177 58.542 56.400 -0.057 0.000 0.809 425 E CB -0.497 29.173 29.700 -0.050 0.000 0.755 425 E HN 0.288 nan 8.360 nan 0.000 0.449 426 V N 0.297 120.137 119.914 -0.124 0.000 2.255 426 V HA -0.294 3.835 4.120 0.016 0.000 0.247 426 V C 2.468 178.421 176.094 -0.236 0.000 1.051 426 V CA 2.106 64.291 62.300 -0.191 0.000 1.018 426 V CB -0.827 30.858 31.823 -0.230 0.000 0.641 426 V HN 0.295 nan 8.190 nan 0.000 0.445 427 S N -0.573 114.986 115.700 -0.234 0.000 2.365 427 S HA -0.248 4.232 4.470 0.016 0.000 0.225 427 S C 2.049 176.525 174.600 -0.206 0.000 1.039 427 S CA 1.762 59.801 58.200 -0.268 0.000 1.033 427 S CB -0.376 62.705 63.200 -0.198 0.000 0.887 427 S HN 0.522 nan 8.310 nan 0.000 0.447 428 R N 1.393 121.816 120.500 -0.127 0.000 2.083 428 R HA -0.061 4.288 4.340 0.016 0.000 0.237 428 R C 2.026 178.299 176.300 -0.045 0.000 1.137 428 R CA 1.554 57.612 56.100 -0.069 0.000 0.951 428 R CB -0.559 29.729 30.300 -0.021 0.000 0.851 428 R HN 0.400 nan 8.270 nan 0.000 0.434 429 N N 0.931 119.602 118.700 -0.048 0.000 2.166 429 N HA -0.129 4.621 4.740 0.016 0.000 0.186 429 N C 1.945 177.478 175.510 0.038 0.000 1.019 429 N CA 1.069 54.129 53.050 0.018 0.000 0.856 429 N CB -0.209 38.256 38.487 -0.037 0.000 0.993 429 N HN 0.231 nan 8.380 nan 0.000 0.426 430 L N 0.349 121.497 121.223 -0.125 0.000 2.093 430 L HA -0.048 4.301 4.340 0.016 0.000 0.208 430 L C 2.420 179.240 176.870 -0.082 0.000 1.085 430 L CA 1.135 55.885 54.840 -0.150 0.000 0.755 430 L CB -0.799 41.032 42.059 -0.380 0.000 0.904 430 L HN 0.200 nan 8.230 nan 0.000 0.435 431 G N -0.081 108.623 108.800 -0.161 0.000 2.448 431 G HA2 -0.229 3.740 3.960 0.016 0.000 0.219 431 G HA3 -0.229 3.740 3.960 0.016 0.000 0.219 431 G C 1.614 176.591 174.900 0.129 0.000 1.127 431 G CA 0.342 45.336 45.100 -0.178 0.000 0.766 431 G HN 0.317 nan 8.290 nan 0.000 0.552 432 K N -0.008 120.448 120.400 0.093 0.000 2.504 432 K HA 0.135 4.465 4.320 0.016 0.000 0.195 432 K C 2.311 178.836 176.600 -0.124 0.000 1.036 432 K CA -0.050 56.251 56.287 0.023 0.000 0.984 432 K CB 0.108 32.623 32.500 0.024 0.000 0.788 432 K HN 0.193 nan 8.250 nan 0.000 0.488 433 V N 0.900 120.823 119.914 0.014 0.000 2.295 433 V HA -0.233 3.897 4.120 0.016 0.000 0.246 433 V C 2.330 178.292 176.094 -0.219 0.000 1.049 433 V CA 2.303 64.567 62.300 -0.061 0.000 1.024 433 V CB -0.841 31.084 31.823 0.169 0.000 0.648 433 V HN 0.525 nan 8.190 nan 0.000 0.447 434 G N -0.101 108.579 108.800 -0.201 0.000 2.529 434 G HA2 -0.382 3.587 3.960 0.016 0.000 0.219 434 G HA3 -0.382 3.587 3.960 0.016 0.000 0.219 434 G C 1.893 175.841 174.900 -1.586 0.000 1.177 434 G CA 1.790 46.308 45.100 -0.970 0.000 0.773 434 G HN 0.669 nan 8.290 nan 0.000 0.573 435 S N -0.501 114.474 115.700 -1.207 0.000 2.414 435 S HA -0.018 4.462 4.470 0.016 0.000 0.227 435 S C 2.120 176.504 174.600 -0.360 0.000 1.022 435 S CA 1.759 59.580 58.200 -0.632 0.000 0.958 435 S CB -0.047 63.100 63.200 -0.088 0.000 0.797 435 S HN 0.278 nan 8.310 nan 0.000 0.493 436 K N 0.020 120.206 120.400 -0.358 0.000 2.228 436 K HA 0.157 4.487 4.320 0.016 0.000 0.202 436 K C 1.846 178.289 176.600 -0.263 0.000 1.051 436 K CA 1.153 57.257 56.287 -0.304 0.000 0.960 436 K CB -0.980 31.269 32.500 -0.418 0.000 0.743 436 K HN 0.785 nan 8.250 nan 0.000 0.458 437 c N -1.830 116.620 118.600 -0.249 0.000 2.378 437 c HA 0.259 4.839 4.570 0.016 0.000 0.389 437 c C 2.605 176.633 174.090 -0.104 0.000 1.394 437 c CA -0.025 56.249 56.329 -0.092 0.000 2.275 437 c CB -0.633 41.858 42.510 -0.031 0.000 2.567 437 c HN 0.690 nan 8.230 nan 0.000 0.556 438 c N 2.624 121.121 118.600 -0.171 0.000 2.398 438 c HA -0.169 4.411 4.570 0.016 0.000 0.282 438 c C 2.430 176.483 174.090 -0.061 0.000 1.275 438 c CA 1.733 58.004 56.329 -0.096 0.000 1.797 438 c CB -1.766 40.682 42.510 -0.104 0.000 1.991 438 c HN 0.755 nan 8.230 nan 0.000 0.505 439 K N -0.141 120.173 120.400 -0.143 0.000 2.555 439 K HA -0.009 4.321 4.320 0.016 0.000 0.193 439 K C 0.363 176.873 176.600 -0.151 0.000 1.032 439 K CA 0.781 56.985 56.287 -0.137 0.000 1.004 439 K CB -0.212 32.180 32.500 -0.181 0.000 0.804 439 K HN 0.553 nan 8.250 nan 0.000 0.496 440 H N 1.133 120.186 119.070 -0.029 0.000 2.544 440 H HA 0.366 4.931 4.556 0.015 0.000 0.342 440 H C -2.419 172.899 175.328 -0.017 0.000 1.185 440 H CA -2.607 53.426 56.048 -0.025 0.000 1.264 440 H CB 1.284 31.025 29.762 -0.035 0.000 1.607 440 H HN -0.042 nan 8.280 nan 0.000 0.550 441 P HA 0.132 nan 4.420 nan 0.000 0.277 441 P C 0.943 178.271 177.300 0.047 0.000 1.240 441 P CA 0.244 63.382 63.100 0.062 0.000 0.798 441 P CB 0.455 32.177 31.700 0.038 0.000 0.979 442 E N 2.269 122.489 120.200 0.034 0.000 2.113 442 E HA -0.341 4.019 4.350 0.016 0.000 0.210 442 E C 2.045 178.659 176.600 0.023 0.000 1.040 442 E CA 2.695 59.113 56.400 0.030 0.000 0.847 442 E CB -1.808 27.908 29.700 0.027 0.000 0.755 442 E HN 0.555 nan 8.360 nan 0.000 0.459 443 A N 0.462 123.290 122.820 0.013 0.000 1.997 443 A HA -0.230 4.099 4.320 0.016 0.000 0.221 443 A C 2.251 179.819 177.584 -0.026 0.000 1.172 443 A CA 2.191 54.227 52.037 -0.001 0.000 0.645 443 A CB -0.239 18.749 19.000 -0.019 0.000 0.813 443 A HN 0.505 nan 8.150 nan 0.000 0.454 444 K N -1.691 118.679 120.400 -0.050 0.000 2.358 444 K HA 0.196 4.525 4.320 0.016 0.000 0.200 444 K C 1.826 178.372 176.600 -0.091 0.000 1.030 444 K CA -0.195 56.017 56.287 -0.126 0.000 1.097 444 K CB 0.371 32.706 32.500 -0.276 0.000 0.862 444 K HN 0.347 nan 8.250 nan 0.000 0.534 445 R N 0.867 121.365 120.500 -0.004 0.000 2.057 445 R HA 0.038 4.388 4.340 0.016 0.000 0.229 445 R C 2.287 178.598 176.300 0.018 0.000 1.136 445 R CA 1.310 57.429 56.100 0.032 0.000 0.952 445 R CB -0.129 30.195 30.300 0.040 0.000 0.848 445 R HN 0.151 nan 8.270 nan 0.000 0.430 446 M N 1.315 120.922 119.600 0.011 0.000 2.080 446 M HA -0.104 4.385 4.480 0.016 0.000 0.260 446 M C -0.892 175.408 176.300 -0.000 0.000 1.068 446 M CA 1.850 57.153 55.300 0.005 0.000 1.109 446 M CB -0.791 31.808 32.600 -0.002 0.000 1.342 446 M HN -0.040 nan 8.290 nan 0.000 0.405 447 P HA -0.127 nan 4.420 nan 0.000 0.218 447 P C 1.756 179.052 177.300 -0.006 0.000 1.149 447 P CA 1.407 64.490 63.100 -0.028 0.000 0.817 447 P CB -0.490 31.174 31.700 -0.061 0.000 0.785 448 c N 0.075 118.672 118.600 -0.005 0.000 2.462 448 c HA 0.084 4.663 4.570 0.016 0.000 0.278 448 c C 2.989 177.127 174.090 0.080 0.000 1.253 448 c CA 1.534 57.881 56.329 0.030 0.000 1.713 448 c CB -1.557 40.985 42.510 0.053 0.000 2.049 448 c HN 0.239 nan 8.230 nan 0.000 0.477 449 A N 0.105 122.965 122.820 0.068 0.000 1.821 449 A HA -0.170 4.160 4.320 0.016 0.000 0.215 449 A C 2.120 179.773 177.584 0.116 0.000 1.214 449 A CA 1.846 53.942 52.037 0.098 0.000 0.608 449 A CB -1.305 17.731 19.000 0.061 0.000 0.862 449 A HN 0.735 nan 8.150 nan 0.000 0.448 450 E N -0.393 119.843 120.200 0.060 0.000 2.130 450 E HA -0.240 4.119 4.350 0.016 0.000 0.196 450 E C 1.256 177.883 176.600 0.045 0.000 0.998 450 E CA 1.591 58.014 56.400 0.038 0.000 0.806 450 E CB -0.097 29.604 29.700 0.001 0.000 0.738 450 E HN 0.543 nan 8.360 nan 0.000 0.459 451 D N -0.908 119.530 120.400 0.064 0.000 2.224 451 D HA -0.137 4.512 4.640 0.016 0.000 0.205 451 D C 1.482 177.839 176.300 0.095 0.000 0.965 451 D CA 0.645 54.697 54.000 0.086 0.000 0.852 451 D CB -0.167 40.685 40.800 0.087 0.000 0.947 451 D HN 0.322 nan 8.370 nan 0.000 0.494 452 Y N 1.404 121.707 120.300 0.005 0.000 2.220 452 Y HA -0.030 4.529 4.550 0.014 0.000 0.291 452 Y C 2.113 177.994 175.900 -0.031 0.000 1.129 452 Y CA 0.975 59.069 58.100 -0.010 0.000 1.161 452 Y CB -0.364 38.088 38.460 -0.013 0.000 0.997 452 Y HN -0.147 nan 8.280 nan 0.000 0.522 453 L N -0.713 120.446 121.223 -0.107 0.000 2.083 453 L HA -0.242 4.107 4.340 0.016 0.000 0.209 453 L C 2.439 179.186 176.870 -0.206 0.000 1.083 453 L CA 1.566 56.294 54.840 -0.186 0.000 0.752 453 L CB -0.625 41.410 42.059 -0.040 0.000 0.899 453 L HN 0.170 nan 8.230 nan 0.000 0.433 454 S N -0.751 114.877 115.700 -0.121 0.000 2.402 454 S HA -0.121 4.358 4.470 0.016 0.000 0.229 454 S C 1.993 176.500 174.600 -0.155 0.000 1.021 454 S CA 0.976 59.120 58.200 -0.094 0.000 0.974 454 S CB -0.071 63.118 63.200 -0.018 0.000 0.800 454 S HN 0.176 nan 8.310 nan 0.000 0.484 455 V N 1.330 121.116 119.914 -0.214 0.000 2.270 455 V HA -0.121 4.009 4.120 0.016 0.000 0.245 455 V C 2.327 178.251 176.094 -0.284 0.000 1.043 455 V CA 1.348 63.505 62.300 -0.238 0.000 1.014 455 V CB -0.806 30.871 31.823 -0.244 0.000 0.645 455 V HN 0.327 nan 8.190 nan 0.000 0.447 456 V N 0.149 119.813 119.914 -0.417 0.000 2.287 456 V HA -0.288 3.841 4.120 0.016 0.000 0.248 456 V C 2.323 178.240 176.094 -0.296 0.000 1.053 456 V CA 2.164 64.238 62.300 -0.376 0.000 1.027 456 V CB -0.654 30.887 31.823 -0.469 0.000 0.646 456 V HN 0.466 nan 8.190 nan 0.000 0.447 457 L N 0.336 121.383 121.223 -0.293 0.000 2.265 457 L HA -0.167 4.183 4.340 0.016 0.000 0.215 457 L C 2.280 179.054 176.870 -0.160 0.000 1.117 457 L CA 1.604 56.273 54.840 -0.285 0.000 0.782 457 L CB -0.754 41.159 42.059 -0.244 0.000 0.914 457 L HN 0.443 nan 8.230 nan 0.000 0.441 458 N N -0.693 117.924 118.700 -0.139 0.000 2.270 458 N HA -0.169 4.580 4.740 0.016 0.000 0.181 458 N C 1.963 177.415 175.510 -0.097 0.000 1.016 458 N CA 0.780 53.774 53.050 -0.093 0.000 0.870 458 N CB 0.156 38.573 38.487 -0.118 0.000 0.979 458 N HN 0.150 nan 8.380 nan 0.000 0.431 459 Q N 0.319 120.041 119.800 -0.130 0.000 2.020 459 Q HA -0.131 4.219 4.340 0.016 0.000 0.202 459 Q C 2.022 177.971 176.000 -0.085 0.000 0.982 459 Q CA 0.942 56.681 55.803 -0.108 0.000 0.838 459 Q CB -0.865 27.799 28.738 -0.122 0.000 0.899 459 Q HN 0.414 nan 8.270 nan 0.000 0.423 460 L N 0.570 121.719 121.223 -0.123 0.000 1.990 460 L HA -0.220 4.130 4.340 0.016 0.000 0.213 460 L C 2.421 179.293 176.870 0.003 0.000 1.072 460 L CA 1.913 56.693 54.840 -0.099 0.000 0.755 460 L CB -0.975 40.947 42.059 -0.228 0.000 0.889 460 L HN 0.230 nan 8.230 nan 0.000 0.432 461 c N -1.377 117.233 118.600 0.017 0.000 2.413 461 c HA -0.149 4.431 4.570 0.016 0.000 0.276 461 c C 2.853 176.990 174.090 0.078 0.000 1.248 461 c CA 1.088 57.477 56.329 0.099 0.000 1.742 461 c CB -1.195 41.380 42.510 0.108 0.000 2.017 461 c HN 0.665 nan 8.230 nan 0.000 0.481 462 V N -0.609 119.312 119.914 0.011 0.000 2.453 462 V HA -0.081 4.049 4.120 0.016 0.000 0.247 462 V C 2.094 178.187 176.094 -0.001 0.000 1.048 462 V CA 1.732 64.021 62.300 -0.017 0.000 1.049 462 V CB -0.957 30.820 31.823 -0.077 0.000 0.672 462 V HN 0.555 nan 8.190 nan 0.000 0.457 463 L N 0.097 121.325 121.223 0.008 0.000 2.017 463 L HA -0.143 4.207 4.340 0.016 0.000 0.208 463 L C 2.835 179.725 176.870 0.034 0.000 1.073 463 L CA 2.414 57.260 54.840 0.010 0.000 0.745 463 L CB -1.012 41.051 42.059 0.005 0.000 0.894 463 L HN 0.444 nan 8.230 nan 0.000 0.432 464 H N 0.161 119.222 119.070 -0.014 0.000 2.422 464 H HA -0.235 4.330 4.556 0.015 0.000 0.298 464 H C 2.185 177.513 175.328 -0.000 0.000 1.098 464 H CA 1.948 57.998 56.048 0.002 0.000 1.315 464 H CB 0.100 29.880 29.762 0.028 0.000 1.382 464 H HN 0.336 nan 8.280 nan 0.000 0.523 465 E N 0.055 120.240 120.200 -0.025 0.000 2.160 465 E HA -0.238 4.122 4.350 0.016 0.000 0.195 465 E C 2.428 178.957 176.600 -0.119 0.000 0.991 465 E CA 1.661 58.016 56.400 -0.075 0.000 0.810 465 E CB -0.095 29.594 29.700 -0.019 0.000 0.742 465 E HN 0.607 nan 8.360 nan 0.000 0.466 466 K N 0.320 120.662 120.400 -0.096 0.000 1.978 466 K HA -0.113 4.216 4.320 0.016 0.000 0.214 466 K C 1.645 178.174 176.600 -0.118 0.000 1.049 466 K CA 1.901 58.135 56.287 -0.087 0.000 0.939 466 K CB -1.409 31.055 32.500 -0.061 0.000 0.721 466 K HN 0.362 nan 8.250 nan 0.000 0.441 467 T N -0.410 114.055 114.554 -0.149 0.000 3.150 467 T HA 0.434 4.794 4.350 0.016 0.000 0.383 467 T C -3.025 171.515 174.700 -0.267 0.000 1.313 467 T CA -1.930 60.079 62.100 -0.152 0.000 1.235 467 T CB 1.263 70.077 68.868 -0.090 0.000 1.088 467 T HN 0.223 nan 8.240 nan 0.000 0.556 468 P HA 0.211 nan 4.420 nan 0.000 0.271 468 P C 0.767 177.959 177.300 -0.180 0.000 1.216 468 P CA -0.338 62.416 63.100 -0.578 0.000 0.771 468 P CB 1.517 33.009 31.700 -0.347 0.000 0.864 469 V N -0.753 119.194 119.914 0.056 0.000 3.392 469 V HA 0.329 4.458 4.120 0.016 0.000 0.294 469 V C 0.213 176.430 176.094 0.206 0.000 1.561 469 V CA 0.100 62.485 62.300 0.142 0.000 1.056 469 V CB 0.173 32.066 31.823 0.117 0.000 0.882 469 V HN 0.566 nan 8.190 nan 0.000 0.440 470 S N 0.588 116.486 115.700 0.331 0.000 2.736 470 S HA 0.452 4.932 4.470 0.016 0.000 0.285 470 S C -0.034 174.644 174.600 0.131 0.000 1.163 470 S CA -0.120 58.170 58.200 0.150 0.000 1.025 470 S CB 1.631 64.849 63.200 0.030 0.000 1.030 470 S HN 0.350 nan 8.310 nan 0.000 0.486 471 D N 3.193 123.639 120.400 0.077 0.000 2.310 471 D HA 0.009 4.659 4.640 0.016 0.000 0.212 471 D C 1.838 178.135 176.300 -0.006 0.000 0.965 471 D CA 0.788 54.817 54.000 0.048 0.000 0.879 471 D CB 0.157 40.974 40.800 0.027 0.000 0.921 471 D HN 0.532 nan 8.370 nan 0.000 0.510 472 R N 0.175 120.653 120.500 -0.036 0.000 2.093 472 R HA 0.028 4.378 4.340 0.016 0.000 0.224 472 R C 1.971 178.168 176.300 -0.173 0.000 1.101 472 R CA 0.546 56.586 56.100 -0.100 0.000 0.979 472 R CB -0.267 29.979 30.300 -0.089 0.000 0.877 472 R HN 0.132 nan 8.270 nan 0.000 0.441 473 V N 0.752 120.579 119.914 -0.146 0.000 2.453 473 V HA -0.175 3.955 4.120 0.016 0.000 0.247 473 V C 2.092 178.144 176.094 -0.070 0.000 1.048 473 V CA 1.960 64.172 62.300 -0.146 0.000 1.049 473 V CB -0.409 31.141 31.823 -0.455 0.000 0.672 473 V HN 0.346 nan 8.190 nan 0.000 0.457 474 T N -0.277 114.283 114.554 0.009 0.000 2.746 474 T HA -0.238 4.121 4.350 0.016 0.000 0.267 474 T C 1.953 176.661 174.700 0.014 0.000 1.039 474 T CA 1.885 64.037 62.100 0.086 0.000 1.142 474 T CB -0.156 68.779 68.868 0.113 0.000 0.866 474 T HN 0.453 nan 8.240 nan 0.000 0.444 475 K N 0.259 120.634 120.400 -0.042 0.000 2.001 475 K HA -0.095 4.235 4.320 0.016 0.000 0.208 475 K C 2.505 179.050 176.600 -0.092 0.000 1.048 475 K CA 1.438 57.689 56.287 -0.059 0.000 0.932 475 K CB -0.488 31.964 32.500 -0.079 0.000 0.715 475 K HN 0.296 nan 8.250 nan 0.000 0.437 476 c N 0.685 119.154 118.600 -0.218 0.000 2.411 476 c HA -0.131 4.449 4.570 0.016 0.000 0.279 476 c C 2.930 176.958 174.090 -0.102 0.000 1.288 476 c CA 0.565 56.705 56.329 -0.314 0.000 1.764 476 c CB -0.987 40.983 42.510 -0.901 0.000 1.974 476 c HN 0.664 nan 8.230 nan 0.000 0.498 477 c N 0.379 118.979 118.600 0.001 0.000 2.466 477 c HA -0.052 4.527 4.570 0.016 0.000 0.278 477 c C 2.833 177.040 174.090 0.195 0.000 1.288 477 c CA 1.870 58.286 56.329 0.145 0.000 1.722 477 c CB -1.437 41.177 42.510 0.173 0.000 2.017 477 c HN 0.822 nan 8.230 nan 0.000 0.488 478 T N -1.966 112.668 114.554 0.134 0.000 3.037 478 T HA 0.009 4.369 4.350 0.016 0.000 0.251 478 T C 1.465 176.273 174.700 0.180 0.000 1.079 478 T CA 0.803 62.986 62.100 0.138 0.000 1.067 478 T CB -0.270 68.614 68.868 0.027 0.000 0.948 478 T HN 0.619 nan 8.240 nan 0.000 0.496 479 E N 1.892 122.166 120.200 0.123 0.000 2.106 479 E HA -0.050 4.309 4.350 0.016 0.000 0.192 479 E C 0.319 177.005 176.600 0.144 0.000 0.984 479 E CA 0.983 57.442 56.400 0.098 0.000 0.806 479 E CB 0.181 29.896 29.700 0.024 0.000 0.750 479 E HN 0.607 nan 8.360 nan 0.000 0.458 480 S N -1.050 114.734 115.700 0.140 0.000 2.582 480 S HA 0.047 4.526 4.470 0.016 0.000 0.296 480 S C 0.118 174.624 174.600 -0.157 0.000 1.118 480 S CA -0.748 57.472 58.200 0.033 0.000 0.947 480 S CB 0.786 63.984 63.200 -0.004 0.000 1.131 480 S HN 0.157 nan 8.310 nan 0.000 0.453 481 L N 4.632 125.497 121.223 -0.596 0.000 2.081 481 L HA 0.044 4.393 4.340 0.016 0.000 0.212 481 L C 2.063 178.760 176.870 -0.288 0.000 1.080 481 L CA 2.218 56.630 54.840 -0.713 0.000 0.754 481 L CB -0.559 40.774 42.059 -1.209 0.000 0.893 481 L HN 0.750 nan 8.230 nan 0.000 0.433 482 V N -0.494 119.299 119.914 -0.202 0.000 2.591 482 V HA -0.185 3.944 4.120 0.016 0.000 0.249 482 V C 1.761 177.817 176.094 -0.062 0.000 1.053 482 V CA 1.962 64.204 62.300 -0.096 0.000 1.068 482 V CB -0.814 30.963 31.823 -0.077 0.000 0.689 482 V HN 0.545 nan 8.190 nan 0.000 0.462 483 N N -0.693 117.972 118.700 -0.057 0.000 2.336 483 N HA 0.075 4.825 4.740 0.016 0.000 0.189 483 N C 1.726 177.231 175.510 -0.008 0.000 1.113 483 N CA -0.210 52.820 53.050 -0.034 0.000 0.858 483 N CB 0.089 38.554 38.487 -0.036 0.000 0.970 483 N HN 0.377 nan 8.380 nan 0.000 0.471 484 R N 1.062 121.570 120.500 0.012 0.000 2.143 484 R HA -0.185 4.165 4.340 0.016 0.000 0.239 484 R C 2.133 178.552 176.300 0.197 0.000 1.126 484 R CA 1.390 57.551 56.100 0.102 0.000 0.927 484 R CB -0.273 30.111 30.300 0.141 0.000 0.860 484 R HN 0.181 nan 8.270 nan 0.000 0.433 485 R N 0.490 121.077 120.500 0.144 0.000 2.115 485 R HA -0.128 4.221 4.340 0.016 0.000 0.239 485 R C -0.736 175.646 176.300 0.136 0.000 1.133 485 R CA 2.039 58.230 56.100 0.152 0.000 0.935 485 R CB -1.558 28.783 30.300 0.067 0.000 0.853 485 R HN 0.175 nan 8.270 nan 0.000 0.433 486 P HA -0.123 nan 4.420 nan 0.000 0.216 486 P C 1.686 178.995 177.300 0.015 0.000 1.150 486 P CA 1.117 64.234 63.100 0.028 0.000 0.837 486 P CB -0.268 31.429 31.700 -0.006 0.000 0.786 487 c N -1.970 116.623 118.600 -0.012 0.000 2.413 487 c HA -0.166 4.413 4.570 0.016 0.000 0.276 487 c C 2.406 176.410 174.090 -0.143 0.000 1.236 487 c CA 0.833 57.095 56.329 -0.111 0.000 1.735 487 c CB -2.084 40.308 42.510 -0.197 0.000 2.031 487 c HN 0.069 nan 8.230 nan 0.000 0.474 488 F N 1.284 121.227 119.950 -0.012 0.000 2.146 488 F HA -0.076 4.461 4.527 0.016 0.000 0.298 488 F C 2.787 178.544 175.800 -0.071 0.000 1.096 488 F CA 1.972 59.961 58.000 -0.018 0.000 1.275 488 F CB -0.831 38.225 39.000 0.093 0.000 1.008 488 F HN 0.124 nan 8.300 nan 0.000 0.480 489 S N -0.051 115.747 115.700 0.162 0.000 2.374 489 S HA -0.253 4.227 4.470 0.016 0.000 0.227 489 S C 2.319 176.912 174.600 -0.012 0.000 1.037 489 S CA 1.184 59.422 58.200 0.063 0.000 1.024 489 S CB -0.757 62.487 63.200 0.073 0.000 0.861 489 S HN 0.384 nan 8.310 nan 0.000 0.456 490 A N 1.095 123.902 122.820 -0.021 0.000 2.015 490 A HA 0.121 4.451 4.320 0.016 0.000 0.219 490 A C 0.889 178.433 177.584 -0.067 0.000 1.163 490 A CA 0.530 52.540 52.037 -0.044 0.000 0.646 490 A CB -0.654 18.317 19.000 -0.048 0.000 0.806 490 A HN 0.452 nan 8.150 nan 0.000 0.448 491 L N 1.516 122.685 121.223 -0.090 0.000 2.640 491 L HA -0.035 4.314 4.340 0.016 0.000 0.280 491 L C 0.375 177.186 176.870 -0.098 0.000 1.229 491 L CA 0.108 54.886 54.840 -0.105 0.000 0.919 491 L CB 0.123 42.110 42.059 -0.121 0.000 1.168 491 L HN 0.372 nan 8.230 nan 0.000 0.496 492 E N 1.937 122.091 120.200 -0.076 0.000 2.250 492 E HA 0.239 4.599 4.350 0.016 0.000 0.265 492 E C -0.522 176.041 176.600 -0.061 0.000 1.033 492 E CA -0.678 55.685 56.400 -0.062 0.000 0.888 492 E CB 2.011 31.686 29.700 -0.041 0.000 1.151 492 E HN 0.391 nan 8.360 nan 0.000 0.412 493 V N 0.082 119.966 119.914 -0.051 0.000 2.644 493 V HA -0.063 4.067 4.120 0.016 0.000 0.305 493 V C 0.313 176.396 176.094 -0.019 0.000 1.053 493 V CA -0.318 61.958 62.300 -0.041 0.000 1.186 493 V CB 0.271 32.082 31.823 -0.021 0.000 0.895 493 V HN 0.469 nan 8.190 nan 0.000 0.490 494 D N 4.374 124.764 120.400 -0.017 0.000 2.342 494 D HA 0.353 5.003 4.640 0.016 0.000 0.260 494 D C 1.137 177.482 176.300 0.075 0.000 1.278 494 D CA 0.800 54.810 54.000 0.017 0.000 0.910 494 D CB 1.430 42.236 40.800 0.011 0.000 1.079 494 D HN 0.932 nan 8.370 nan 0.000 0.496 495 E N 1.839 122.073 120.200 0.056 0.000 2.216 495 E HA -0.125 4.235 4.350 0.016 0.000 0.192 495 E C 1.741 178.384 176.600 0.072 0.000 0.988 495 E CA 1.296 57.734 56.400 0.063 0.000 0.834 495 E CB -0.948 28.771 29.700 0.030 0.000 0.772 495 E HN 0.610 nan 8.360 nan 0.000 0.479 496 T N -2.231 112.365 114.554 0.070 0.000 3.155 496 T HA -0.035 4.324 4.350 0.016 0.000 0.264 496 T C 0.704 175.458 174.700 0.090 0.000 1.160 496 T CA 0.371 62.507 62.100 0.059 0.000 1.075 496 T CB -0.833 68.064 68.868 0.049 0.000 0.921 496 T HN 0.399 nan 8.240 nan 0.000 0.533 497 Y N 2.292 122.594 120.300 0.003 0.000 2.402 497 Y HA 0.460 5.020 4.550 0.016 0.000 0.333 497 Y C -0.487 175.419 175.900 0.010 0.000 1.076 497 Y CA -1.671 56.434 58.100 0.009 0.000 1.299 497 Y CB 0.576 39.042 38.460 0.010 0.000 1.197 497 Y HN -0.030 nan 8.280 nan 0.000 0.517 498 V N 9.561 129.069 119.914 -0.676 0.000 2.383 498 V HA 0.275 4.404 4.120 0.016 0.000 0.275 498 V C -2.024 173.539 176.094 -0.884 0.000 1.036 498 V CA -2.169 59.794 62.300 -0.561 0.000 0.889 498 V CB 0.870 32.527 31.823 -0.278 0.000 0.985 498 V HN 0.771 nan 8.190 nan 0.000 0.459 499 P HA -0.059 nan 4.420 nan 0.000 0.259 499 P C -0.276 176.948 177.300 -0.127 0.000 1.163 499 P CA 0.292 63.223 63.100 -0.282 0.000 0.760 499 P CB 0.290 31.902 31.700 -0.146 0.000 0.762 500 K N 3.767 124.210 120.400 0.072 0.000 2.349 500 K HA 0.066 4.395 4.320 0.016 0.000 0.289 500 K C 0.292 177.081 176.600 0.315 0.000 1.064 500 K CA -0.271 56.121 56.287 0.176 0.000 0.947 500 K CB 0.356 33.013 32.500 0.262 0.000 1.007 500 K HN 0.432 nan 8.250 nan 0.000 0.478 501 E N 3.100 123.439 120.200 0.230 0.000 2.409 501 E HA -0.043 4.317 4.350 0.016 0.000 0.257 501 E C -0.685 176.052 176.600 0.228 0.000 1.150 501 E CA -0.480 56.107 56.400 0.312 0.000 0.942 501 E CB 0.450 30.261 29.700 0.184 0.000 0.979 501 E HN 0.423 nan 8.360 nan 0.000 0.447 502 F N 2.808 122.758 119.950 -0.000 0.000 2.538 502 F HA 0.025 4.561 4.527 0.016 0.000 0.371 502 F C 0.881 176.678 175.800 -0.006 0.000 1.087 502 F CA 0.668 58.574 58.000 -0.157 0.000 1.250 502 F CB 0.251 39.150 39.000 -0.169 0.000 1.110 502 F HN 0.508 nan 8.300 nan 0.000 0.570 503 N N 3.548 121.791 118.700 -0.762 0.000 2.511 503 N HA 0.171 4.921 4.740 0.016 0.000 0.190 503 N C 1.176 176.199 175.510 -0.810 0.000 1.037 503 N CA 0.887 53.591 53.050 -0.576 0.000 0.895 503 N CB 0.297 38.608 38.487 -0.293 0.000 1.149 503 N HN 0.825 nan 8.380 nan 0.000 0.437 504 A N 0.558 122.801 122.820 -0.961 0.000 3.882 504 A HA -0.198 4.132 4.320 0.016 0.000 0.242 504 A C 1.302 178.888 177.584 0.003 0.000 0.824 504 A CA 1.360 53.189 52.037 -0.347 0.000 1.520 504 A CB -1.972 16.876 19.000 -0.253 0.000 0.993 504 A HN 0.467 nan 8.150 nan 0.000 0.728 505 E N 0.097 120.229 120.200 -0.114 0.000 2.265 505 E HA -0.117 4.242 4.350 0.016 0.000 0.196 505 E C 1.884 178.427 176.600 -0.095 0.000 0.996 505 E CA 1.595 57.959 56.400 -0.059 0.000 0.832 505 E CB -0.436 29.217 29.700 -0.079 0.000 0.756 505 E HN 0.862 nan 8.360 nan 0.000 0.491 506 T N 0.274 114.701 114.554 -0.212 0.000 2.788 506 T HA -0.118 4.241 4.350 0.016 0.000 0.268 506 T C 1.164 175.549 174.700 -0.525 0.000 1.044 506 T CA 0.928 62.754 62.100 -0.458 0.000 1.139 506 T CB -0.241 68.140 68.868 -0.812 0.000 0.867 506 T HN 0.125 nan 8.240 nan 0.000 0.454 507 F N 1.412 121.407 119.950 0.075 0.000 2.668 507 F HA 0.287 4.824 4.527 0.016 0.000 0.297 507 F C 0.972 176.894 175.800 0.202 0.000 1.124 507 F CA -0.616 57.502 58.000 0.197 0.000 1.353 507 F CB -0.727 38.512 39.000 0.398 0.000 0.992 507 F HN -0.178 nan 8.300 nan 0.000 0.524 508 T N 2.685 117.362 114.554 0.204 0.000 2.831 508 T HA -0.111 4.249 4.350 0.016 0.000 0.291 508 T C -0.004 174.775 174.700 0.132 0.000 0.981 508 T CA -0.007 62.199 62.100 0.176 0.000 1.174 508 T CB -0.224 68.698 68.868 0.089 0.000 0.929 508 T HN 0.151 nan 8.240 nan 0.000 0.532 509 F N 4.215 124.144 119.950 -0.034 0.000 2.628 509 F HA 0.188 4.725 4.527 0.017 0.000 0.362 509 F C 0.374 176.110 175.800 -0.107 0.000 1.148 509 F CA -0.071 57.764 58.000 -0.274 0.000 1.352 509 F CB 0.256 38.968 39.000 -0.480 0.000 1.081 509 F HN 0.690 nan 8.300 nan 0.000 0.605 510 H N 4.589 122.776 119.070 -1.472 0.000 3.017 510 H HA 0.481 5.046 4.556 0.016 0.000 0.340 510 H C 0.387 174.917 175.328 -1.330 0.000 1.014 510 H CA -0.203 55.167 56.048 -1.130 0.000 1.341 510 H CB 1.490 30.957 29.762 -0.492 0.000 1.739 510 H HN 0.770 nan 8.280 nan 0.000 0.506 511 A N 3.307 125.300 122.820 -1.378 0.000 1.954 511 A HA -0.321 4.009 4.320 0.016 0.000 0.222 511 A C 1.836 179.321 177.584 -0.165 0.000 1.199 511 A CA 2.401 54.110 52.037 -0.547 0.000 0.657 511 A CB -0.496 18.305 19.000 -0.333 0.000 0.823 511 A HN 0.891 nan 8.150 nan 0.000 0.463 512 D N -0.488 119.949 120.400 0.062 0.000 2.149 512 D HA -0.155 4.495 4.640 0.016 0.000 0.198 512 D C 1.748 178.094 176.300 0.076 0.000 0.990 512 D CA 1.064 55.148 54.000 0.139 0.000 0.839 512 D CB -0.489 40.420 40.800 0.182 0.000 0.948 512 D HN 0.560 nan 8.370 nan 0.000 0.460 513 I N 0.570 121.167 120.570 0.045 0.000 2.227 513 I HA -0.375 3.804 4.170 0.016 0.000 0.250 513 I C 1.448 177.640 176.117 0.125 0.000 1.087 513 I CA 1.337 62.675 61.300 0.063 0.000 1.352 513 I CB 0.091 38.113 38.000 0.037 0.000 1.043 513 I HN 0.088 nan 8.210 nan 0.000 0.425 514 c N -0.061 118.632 118.600 0.156 0.000 2.514 514 c HA 0.054 4.634 4.570 0.016 0.000 0.271 514 c C 1.736 175.890 174.090 0.105 0.000 1.399 514 c CA 0.555 56.981 56.329 0.163 0.000 1.765 514 c CB -0.907 41.729 42.510 0.209 0.000 1.893 514 c HN 0.493 nan 8.230 nan 0.000 0.531 515 T N 1.482 116.087 114.554 0.085 0.000 3.313 515 T HA 0.362 4.722 4.350 0.016 0.000 0.263 515 T C 0.126 174.857 174.700 0.051 0.000 0.983 515 T CA 0.060 62.197 62.100 0.062 0.000 0.963 515 T CB -0.132 68.769 68.868 0.056 0.000 1.141 515 T HN 0.284 nan 8.240 nan 0.000 0.526 516 L N 1.552 122.807 121.223 0.053 0.000 2.416 516 L HA 0.536 4.885 4.340 0.016 0.000 0.262 516 L C 1.148 178.038 176.870 0.034 0.000 1.093 516 L CA -0.820 54.045 54.840 0.042 0.000 0.801 516 L CB 0.936 43.022 42.059 0.045 0.000 1.191 516 L HN 0.315 nan 8.230 nan 0.000 0.459 517 S N -0.590 115.126 115.700 0.027 0.000 2.661 517 S HA 0.127 4.606 4.470 0.016 0.000 0.265 517 S C 0.697 175.305 174.600 0.014 0.000 1.225 517 S CA -0.507 57.705 58.200 0.020 0.000 0.986 517 S CB 1.312 64.524 63.200 0.020 0.000 1.008 517 S HN 0.615 nan 8.310 nan 0.000 0.565 518 E N 0.912 121.114 120.200 0.003 0.000 2.072 518 E HA -0.030 4.330 4.350 0.016 0.000 0.191 518 E C 2.411 179.006 176.600 -0.008 0.000 0.985 518 E CA 2.074 58.464 56.400 -0.017 0.000 0.801 518 E CB -0.946 28.738 29.700 -0.028 0.000 0.750 518 E HN 0.740 nan 8.360 nan 0.000 0.452 519 K N 1.230 121.639 120.400 0.015 0.000 2.009 519 K HA -0.156 4.174 4.320 0.016 0.000 0.210 519 K C 2.060 178.684 176.600 0.040 0.000 1.049 519 K CA 1.757 58.064 56.287 0.035 0.000 0.929 519 K CB -1.063 31.459 32.500 0.038 0.000 0.714 519 K HN 0.119 nan 8.250 nan 0.000 0.440 520 E N 0.084 120.303 120.200 0.032 0.000 2.038 520 E HA -0.202 4.157 4.350 0.016 0.000 0.195 520 E C 2.214 178.840 176.600 0.043 0.000 1.000 520 E CA 1.464 57.883 56.400 0.032 0.000 0.803 520 E CB -0.333 29.381 29.700 0.024 0.000 0.750 520 E HN 0.624 nan 8.360 nan 0.000 0.448 521 R N 0.965 121.489 120.500 0.041 0.000 2.080 521 R HA -0.194 4.155 4.340 0.016 0.000 0.236 521 R C 2.232 178.577 176.300 0.075 0.000 1.137 521 R CA 1.913 58.046 56.100 0.054 0.000 0.943 521 R CB -0.199 30.120 30.300 0.031 0.000 0.846 521 R HN 0.242 nan 8.270 nan 0.000 0.431 522 Q N 0.171 120.006 119.800 0.058 0.000 2.135 522 Q HA -0.184 4.166 4.340 0.016 0.000 0.204 522 Q C 2.312 178.442 176.000 0.218 0.000 0.981 522 Q CA 1.868 57.779 55.803 0.180 0.000 0.856 522 Q CB -0.211 28.642 28.738 0.193 0.000 0.902 522 Q HN 0.484 nan 8.270 nan 0.000 0.425 523 I N 0.714 121.360 120.570 0.127 0.000 2.226 523 I HA -0.271 3.909 4.170 0.016 0.000 0.245 523 I C 2.313 178.472 176.117 0.070 0.000 1.100 523 I CA 1.004 62.356 61.300 0.087 0.000 1.374 523 I CB -0.221 37.809 38.000 0.050 0.000 1.057 523 I HN 0.123 nan 8.210 nan 0.000 0.413 524 K N 0.965 121.408 120.400 0.071 0.000 2.002 524 K HA -0.233 4.096 4.320 0.016 0.000 0.209 524 K C 2.104 178.760 176.600 0.093 0.000 1.048 524 K CA 1.437 57.762 56.287 0.064 0.000 0.930 524 K CB -0.491 32.059 32.500 0.083 0.000 0.714 524 K HN 0.192 nan 8.250 nan 0.000 0.438 525 K N 1.448 121.931 120.400 0.138 0.000 2.160 525 K HA -0.190 4.139 4.320 0.016 0.000 0.206 525 K C 2.136 178.815 176.600 0.131 0.000 1.047 525 K CA 1.444 57.830 56.287 0.165 0.000 0.930 525 K CB 0.081 32.718 32.500 0.228 0.000 0.720 525 K HN 0.186 nan 8.250 nan 0.000 0.450 526 Q N -0.996 118.872 119.800 0.114 0.000 2.172 526 Q HA -0.074 4.276 4.340 0.016 0.000 0.200 526 Q C 1.869 177.884 176.000 0.024 0.000 0.964 526 Q CA 1.598 57.430 55.803 0.049 0.000 0.855 526 Q CB 0.236 28.990 28.738 0.027 0.000 0.918 526 Q HN 0.322 nan 8.270 nan 0.000 0.444 527 T N 0.901 115.468 114.554 0.021 0.000 2.708 527 T HA -0.160 4.200 4.350 0.016 0.000 0.266 527 T C 1.937 176.633 174.700 -0.005 0.000 1.037 527 T CA 1.241 63.333 62.100 -0.013 0.000 1.146 527 T CB -0.305 68.539 68.868 -0.040 0.000 0.865 527 T HN 0.383 nan 8.240 nan 0.000 0.435 528 A N 1.371 124.210 122.820 0.032 0.000 1.908 528 A HA -0.056 4.273 4.320 0.016 0.000 0.218 528 A C 2.241 179.874 177.584 0.082 0.000 1.181 528 A CA 1.395 53.485 52.037 0.088 0.000 0.627 528 A CB -0.858 18.205 19.000 0.104 0.000 0.818 528 A HN 0.404 nan 8.150 nan 0.000 0.445 529 L N -0.094 121.165 121.223 0.060 0.000 2.083 529 L HA -0.096 4.254 4.340 0.016 0.000 0.209 529 L C 2.355 179.254 176.870 0.048 0.000 1.083 529 L CA 1.775 56.646 54.840 0.052 0.000 0.752 529 L CB -0.458 41.619 42.059 0.031 0.000 0.899 529 L HN 0.162 nan 8.230 nan 0.000 0.433 530 V N -0.452 119.480 119.914 0.031 0.000 2.307 530 V HA -0.198 3.932 4.120 0.016 0.000 0.245 530 V C 2.617 178.745 176.094 0.056 0.000 1.045 530 V CA 1.625 63.939 62.300 0.024 0.000 1.024 530 V CB -0.676 31.146 31.823 -0.002 0.000 0.651 530 V HN 0.412 nan 8.190 nan 0.000 0.449 531 E N 0.026 120.266 120.200 0.067 0.000 2.085 531 E HA -0.203 4.156 4.350 0.016 0.000 0.194 531 E C 2.192 178.905 176.600 0.187 0.000 0.994 531 E CA 1.096 57.564 56.400 0.113 0.000 0.801 531 E CB -0.440 29.321 29.700 0.103 0.000 0.743 531 E HN 0.500 nan 8.360 nan 0.000 0.453 532 L N 0.555 121.880 121.223 0.170 0.000 1.989 532 L HA -0.196 4.154 4.340 0.016 0.000 0.211 532 L C 2.379 179.361 176.870 0.187 0.000 1.071 532 L CA 1.192 56.142 54.840 0.183 0.000 0.749 532 L CB -0.203 41.927 42.059 0.118 0.000 0.890 532 L HN 0.011 nan 8.230 nan 0.000 0.431 533 V N -0.284 119.707 119.914 0.127 0.000 2.490 533 V HA -0.282 3.848 4.120 0.016 0.000 0.250 533 V C 2.355 178.534 176.094 0.141 0.000 1.061 533 V CA 1.657 64.019 62.300 0.103 0.000 1.064 533 V CB -0.547 31.306 31.823 0.050 0.000 0.670 533 V HN 0.421 nan 8.190 nan 0.000 0.461 534 K N -0.944 119.555 120.400 0.165 0.000 2.288 534 K HA -0.149 4.181 4.320 0.016 0.000 0.201 534 K C 2.126 178.958 176.600 0.388 0.000 1.048 534 K CA 1.075 57.509 56.287 0.245 0.000 0.956 534 K CB -0.117 32.498 32.500 0.192 0.000 0.746 534 K HN 0.548 nan 8.250 nan 0.000 0.461 535 H N 0.360 119.548 119.070 0.195 0.000 2.399 535 H HA 0.068 4.634 4.556 0.016 0.000 0.300 535 H C 0.382 175.790 175.328 0.133 0.000 1.048 535 H CA 1.566 57.716 56.048 0.170 0.000 1.370 535 H CB 0.430 30.298 29.762 0.177 0.000 1.428 535 H HN -0.048 nan 8.280 nan 0.000 0.534 536 K N 0.642 121.075 120.400 0.055 0.000 2.877 536 K HA 0.328 4.658 4.320 0.016 0.000 0.176 536 K C -2.393 174.235 176.600 0.047 0.000 1.075 536 K CA -1.200 55.066 56.287 -0.036 0.000 0.939 536 K CB 0.144 32.613 32.500 -0.052 0.000 1.237 536 K HN 0.233 nan 8.250 nan 0.000 0.607 537 P HA -0.181 nan 4.420 nan 0.000 0.218 537 P C 1.359 178.695 177.300 0.060 0.000 1.146 537 P CA 1.872 65.039 63.100 0.111 0.000 0.820 537 P CB 0.245 32.070 31.700 0.209 0.000 0.778 538 K N -1.093 119.328 120.400 0.036 0.000 2.520 538 K HA 0.529 4.859 4.320 0.016 0.000 0.205 538 K C 0.851 177.460 176.600 0.015 0.000 1.035 538 K CA 0.412 56.711 56.287 0.020 0.000 1.188 538 K CB -1.024 31.480 32.500 0.007 0.000 0.894 538 K HN 0.281 nan 8.250 nan 0.000 0.497 539 A N 0.255 123.088 122.820 0.022 0.000 2.304 539 A HA 0.599 4.929 4.320 0.016 0.000 0.271 539 A C 0.414 178.011 177.584 0.022 0.000 1.091 539 A CA -0.084 51.966 52.037 0.022 0.000 0.812 539 A CB 0.436 19.455 19.000 0.032 0.000 1.056 539 A HN 0.300 nan 8.150 nan 0.000 0.489 540 T N 0.976 115.543 114.554 0.021 0.000 2.929 540 T HA 0.519 4.879 4.350 0.016 0.000 0.284 540 T C 1.853 176.568 174.700 0.025 0.000 1.014 540 T CA 0.103 62.215 62.100 0.021 0.000 1.051 540 T CB 1.528 70.406 68.868 0.018 0.000 1.028 540 T HN 0.884 nan 8.240 nan 0.000 0.485 541 K N 1.597 122.012 120.400 0.025 0.000 2.113 541 K HA -0.181 4.149 4.320 0.016 0.000 0.208 541 K C 1.901 178.520 176.600 0.031 0.000 1.047 541 K CA 2.011 58.315 56.287 0.028 0.000 0.928 541 K CB -0.831 31.686 32.500 0.028 0.000 0.716 541 K HN 0.657 nan 8.250 nan 0.000 0.446 542 E N 0.656 120.873 120.200 0.028 0.000 2.047 542 E HA -0.157 4.202 4.350 0.016 0.000 0.191 542 E C 2.352 178.970 176.600 0.030 0.000 0.987 542 E CA 1.737 58.154 56.400 0.028 0.000 0.799 542 E CB -0.089 29.625 29.700 0.023 0.000 0.752 542 E HN 0.887 nan 8.360 nan 0.000 0.449 543 Q N -0.084 119.733 119.800 0.028 0.000 2.378 543 Q HA 0.006 4.355 4.340 0.016 0.000 0.205 543 Q C 2.004 178.028 176.000 0.039 0.000 0.954 543 Q CA 0.667 56.488 55.803 0.030 0.000 0.901 543 Q CB -0.128 28.624 28.738 0.023 0.000 0.981 543 Q HN 0.258 nan 8.270 nan 0.000 0.483 544 L N 0.814 122.062 121.223 0.042 0.000 2.109 544 L HA -0.104 4.246 4.340 0.016 0.000 0.207 544 L C 2.999 179.904 176.870 0.059 0.000 1.086 544 L CA 1.490 56.361 54.840 0.052 0.000 0.760 544 L CB -0.630 41.457 42.059 0.047 0.000 0.910 544 L HN 0.357 nan 8.230 nan 0.000 0.437 545 K N 0.425 120.858 120.400 0.055 0.000 2.097 545 K HA -0.062 4.267 4.320 0.016 0.000 0.206 545 K C 2.159 178.800 176.600 0.068 0.000 1.049 545 K CA 1.419 57.744 56.287 0.063 0.000 0.933 545 K CB -1.134 31.399 32.500 0.055 0.000 0.717 545 K HN 0.421 nan 8.250 nan 0.000 0.442 546 A N 0.730 123.584 122.820 0.056 0.000 1.858 546 A HA -0.010 4.320 4.320 0.016 0.000 0.216 546 A C 2.579 180.203 177.584 0.066 0.000 1.190 546 A CA 1.906 53.974 52.037 0.053 0.000 0.617 546 A CB -0.587 18.436 19.000 0.037 0.000 0.827 546 A HN 0.350 nan 8.150 nan 0.000 0.443 547 V N -0.058 119.896 119.914 0.068 0.000 2.407 547 V HA -0.277 3.853 4.120 0.016 0.000 0.248 547 V C 2.663 178.839 176.094 0.136 0.000 1.055 547 V CA 1.880 64.231 62.300 0.086 0.000 1.049 547 V CB -0.742 31.124 31.823 0.073 0.000 0.662 547 V HN 0.478 nan 8.190 nan 0.000 0.455 548 M N -0.212 119.463 119.600 0.124 0.000 2.064 548 M HA -0.129 4.360 4.480 0.016 0.000 0.260 548 M C 2.117 178.530 176.300 0.189 0.000 1.073 548 M CA 1.764 57.157 55.300 0.154 0.000 1.124 548 M CB -1.271 31.403 32.600 0.124 0.000 1.326 548 M HN 0.333 nan 8.290 nan 0.000 0.410 549 D N 1.143 121.628 120.400 0.141 0.000 2.116 549 D HA -0.164 4.486 4.640 0.016 0.000 0.193 549 D C 1.801 178.182 176.300 0.136 0.000 0.998 549 D CA 2.116 56.193 54.000 0.128 0.000 0.836 549 D CB -0.837 40.018 40.800 0.091 0.000 0.951 549 D HN 0.584 nan 8.370 nan 0.000 0.449 550 D N -0.102 120.371 120.400 0.122 0.000 2.097 550 D HA -0.178 4.471 4.640 0.016 0.000 0.195 550 D C 1.906 178.291 176.300 0.143 0.000 0.989 550 D CA 0.908 54.965 54.000 0.096 0.000 0.827 550 D CB -0.996 39.834 40.800 0.050 0.000 0.966 550 D HN 0.169 nan 8.370 nan 0.000 0.456 551 F N 1.064 121.062 119.950 0.080 0.000 2.216 551 F HA 0.179 4.716 4.527 0.016 0.000 0.300 551 F C 2.760 178.697 175.800 0.228 0.000 1.085 551 F CA 1.198 59.284 58.000 0.143 0.000 1.326 551 F CB -0.257 38.782 39.000 0.067 0.000 1.027 551 F HN 0.246 nan 8.300 nan 0.000 0.497 552 A N -0.179 122.881 122.820 0.400 0.000 1.930 552 A HA 0.014 4.343 4.320 0.016 0.000 0.217 552 A C 2.389 180.082 177.584 0.180 0.000 1.175 552 A CA 1.475 53.691 52.037 0.299 0.000 0.627 552 A CB -1.365 17.766 19.000 0.218 0.000 0.815 552 A HN 0.376 nan 8.150 nan 0.000 0.443 553 A N -1.007 121.894 122.820 0.135 0.000 1.930 553 A HA 0.014 4.343 4.320 0.016 0.000 0.217 553 A C 2.009 179.603 177.584 0.017 0.000 1.175 553 A CA 1.502 53.577 52.037 0.063 0.000 0.627 553 A CB -0.699 18.333 19.000 0.053 0.000 0.815 553 A HN 0.758 nan 8.150 nan 0.000 0.443 554 F N 0.267 120.144 119.950 -0.122 0.000 2.134 554 F HA -0.129 4.407 4.527 0.016 0.000 0.299 554 F C 2.159 177.806 175.800 -0.255 0.000 1.097 554 F CA 1.959 59.805 58.000 -0.257 0.000 1.264 554 F CB -0.487 38.242 39.000 -0.452 0.000 1.001 554 F HN 0.059 nan 8.300 nan 0.000 0.479 555 V N 0.923 120.632 119.914 -0.341 0.000 2.515 555 V HA -0.147 3.983 4.120 0.016 0.000 0.250 555 V C 2.457 178.462 176.094 -0.149 0.000 1.058 555 V CA 2.524 64.684 62.300 -0.233 0.000 1.064 555 V CB -0.834 31.189 31.823 0.333 0.000 0.675 555 V HN 0.557 nan 8.190 nan 0.000 0.461 556 E N -0.101 120.049 120.200 -0.083 0.000 2.072 556 E HA -0.242 4.117 4.350 0.016 0.000 0.191 556 E C 2.110 178.637 176.600 -0.122 0.000 0.985 556 E CA 1.456 57.828 56.400 -0.046 0.000 0.801 556 E CB -0.462 29.235 29.700 -0.005 0.000 0.750 556 E HN 0.591 nan 8.360 nan 0.000 0.452 557 K N -0.144 120.130 120.400 -0.209 0.000 2.031 557 K HA 0.002 4.332 4.320 0.016 0.000 0.205 557 K C 2.399 178.809 176.600 -0.317 0.000 1.049 557 K CA 1.062 57.218 56.287 -0.219 0.000 0.939 557 K CB -1.115 31.263 32.500 -0.203 0.000 0.717 557 K HN 0.492 nan 8.250 nan 0.000 0.438 558 c N 0.722 118.962 118.600 -0.600 0.000 2.410 558 c HA -0.133 4.447 4.570 0.016 0.000 0.281 558 c C 2.906 176.791 174.090 -0.340 0.000 1.318 558 c CA 0.370 56.243 56.329 -0.760 0.000 1.776 558 c CB -1.025 40.334 42.510 -1.919 0.000 1.942 558 c HN 0.490 nan 8.230 nan 0.000 0.508 559 c N 0.102 118.614 118.600 -0.146 0.000 2.468 559 c HA 0.026 4.605 4.570 0.016 0.000 0.277 559 c C 3.004 177.092 174.090 -0.004 0.000 1.400 559 c CA 1.294 57.650 56.329 0.046 0.000 1.770 559 c CB -1.282 41.298 42.510 0.116 0.000 1.905 559 c HN 0.738 nan 8.230 nan 0.000 0.519 560 K N 0.484 120.847 120.400 -0.062 0.000 2.218 560 K HA 0.253 4.583 4.320 0.016 0.000 0.205 560 K C 0.997 177.573 176.600 -0.040 0.000 1.046 560 K CA 2.313 58.571 56.287 -0.047 0.000 0.933 560 K CB -0.835 31.623 32.500 -0.070 0.000 0.728 560 K HN 1.320 nan 8.250 nan 0.000 0.454 561 A N -3.046 119.737 122.820 -0.063 0.000 5.766 561 A HA 0.378 4.708 4.320 0.016 0.000 0.214 561 A C 0.494 178.040 177.584 -0.064 0.000 2.477 561 A CA 1.444 53.450 52.037 -0.051 0.000 0.697 561 A CB -1.412 17.581 19.000 -0.012 0.000 0.779 561 A HN 2.253 nan 8.150 nan 0.000 0.321 562 D N -3.265 117.111 120.400 -0.039 0.000 5.123 562 D HA 0.446 5.096 4.640 0.016 0.000 0.133 562 D C 0.972 177.254 176.300 -0.030 0.000 0.613 562 D CA 1.804 55.785 54.000 -0.033 0.000 0.974 562 D CB -1.926 38.848 40.800 -0.044 0.000 0.718 562 D HN 2.731 nan 8.370 nan 0.000 0.591 563 D N 0.441 120.817 120.400 -0.040 0.000 2.772 563 D HA 0.547 5.197 4.640 0.016 0.000 0.273 563 D C 1.131 177.390 176.300 -0.067 0.000 1.233 563 D CA 0.942 54.922 54.000 -0.033 0.000 0.984 563 D CB -0.403 40.385 40.800 -0.020 0.000 1.000 563 D HN 0.740 nan 8.370 nan 0.000 0.514 564 K N 0.088 120.428 120.400 -0.100 0.000 2.056 564 K HA -0.306 4.023 4.320 0.016 0.000 0.225 564 K C 1.919 178.384 176.600 -0.224 0.000 1.053 564 K CA 2.334 58.499 56.287 -0.203 0.000 0.966 564 K CB -0.003 32.320 32.500 -0.295 0.000 0.735 564 K HN 0.583 nan 8.250 nan 0.000 0.455 565 E N -0.156 119.904 120.200 -0.232 0.000 2.219 565 E HA -0.181 4.178 4.350 0.016 0.000 0.198 565 E C 1.926 178.542 176.600 0.027 0.000 0.998 565 E CA 1.558 57.908 56.400 -0.084 0.000 0.818 565 E CB -0.223 29.519 29.700 0.070 0.000 0.741 565 E HN 0.438 nan 8.360 nan 0.000 0.477 566 T N 0.337 114.889 114.554 -0.005 0.000 2.942 566 T HA -0.124 4.236 4.350 0.016 0.000 0.265 566 T C 2.035 176.735 174.700 0.000 0.000 1.062 566 T CA 0.731 62.837 62.100 0.011 0.000 1.139 566 T CB -0.375 68.489 68.868 -0.006 0.000 0.883 566 T HN 0.311 nan 8.240 nan 0.000 0.468 567 c N 0.998 119.562 118.600 -0.061 0.000 2.473 567 c HA -0.014 4.565 4.570 0.016 0.000 0.279 567 c C 2.214 176.258 174.090 -0.077 0.000 1.250 567 c CA 0.341 56.583 56.329 -0.145 0.000 1.713 567 c CB -1.564 40.745 42.510 -0.336 0.000 2.066 567 c HN 0.561 nan 8.230 nan 0.000 0.474 568 F N 1.895 121.811 119.950 -0.057 0.000 2.641 568 F HA 0.180 4.716 4.527 0.016 0.000 0.298 568 F C 1.590 177.506 175.800 0.193 0.000 1.146 568 F CA 0.528 58.630 58.000 0.170 0.000 1.464 568 F CB -0.682 38.370 39.000 0.086 0.000 1.101 568 F HN 0.297 nan 8.300 nan 0.000 0.585 569 A N 0.000 122.965 122.820 0.242 0.000 2.254 569 A HA 0.000 4.330 4.320 0.016 0.000 0.244 569 A CA 0.000 52.141 52.037 0.173 0.000 0.836 569 A CB 0.000 19.070 19.000 0.116 0.000 0.831 569 A HN 0.000 nan 8.150 nan 0.000 0.486