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 2nvu_1_A DATA FIRST_RESID 5 DATA SEQUENCE GKLLKEQKYD RQLRLWGDHG QEALESAHVC LINATATGTE ILKNLVLPGI DATA SEQUENCE GSFTIIDGNQ VSGEDAGNNF FLQRSSIGKN RAEAAMEFLQ ELNSDVSGSF DATA SEQUENCE VEESPENLLD NDPSFFCRFT VVVATQLPES TSLRLADVLW NSQIPLLICR DATA SEQUENCE TYGLVGYMRI IIKEHPVIES HPDNALEDLR LDKPFPELRE HFQSYDLDHM DATA SEQUENCE EKKDHSHTPW IVIIAKYLAQ WYSETNGRIP KTYKEKEDFR DLIRQGILKN DATA SEQUENCE ENGAPEDEEN FEEAIKNVNT ALNTTQIPSS IEDIFNDDRC INITKQTPSF DATA SEQUENCE WILARALKEF VAKEGQGNLP VRGTIPDMIA DSGKYIKLQN VYREKAKKDA DATA SEQUENCE AAVGNHVAKL LQSIGQAPES ISEKELKLLC SNSAFLRVVR CRSLAEEYGL DATA SEQUENCE DTINKDEIIS SMDNPDNEIV LYLMLRAVDR FHKQQGRYPG VSNYQVEEDI DATA SEQUENCE GKLKSCLTGF LQEYGLSVMV KDDYVHEFCR YGAAEPHTIA AFLGGAAAQE DATA SEQUENCE VIKIITKQFV IFNNTYIYSG MSQTSATFQL 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 5 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 5 G C 0.000 174.906 174.900 0.010 0.000 0.946 5 G CA 0.000 45.102 45.100 0.004 0.000 0.502 6 K N 0.440 120.849 120.400 0.016 0.000 2.244 6 K HA 0.238 4.558 4.320 0.001 0.000 0.200 6 K C 1.854 178.468 176.600 0.024 0.000 1.052 6 K CA 0.018 56.322 56.287 0.029 0.000 0.980 6 K CB 0.119 32.639 32.500 0.033 0.000 0.838 6 K HN 0.272 nan 8.250 nan 0.000 0.481 7 L N 1.737 122.968 121.223 0.014 0.000 2.622 7 L HA 0.012 4.352 4.340 0.001 0.000 0.233 7 L C 1.479 178.346 176.870 -0.006 0.000 1.156 7 L CA 0.574 55.420 54.840 0.009 0.000 0.866 7 L CB 0.021 42.084 42.059 0.007 0.000 0.980 7 L HN 0.209 nan 8.230 nan 0.000 0.448 8 L N -1.747 119.466 121.223 -0.016 0.000 2.357 8 L HA 0.088 4.429 4.340 0.001 0.000 0.211 8 L C 2.254 179.071 176.870 -0.089 0.000 1.075 8 L CA 1.077 55.889 54.840 -0.045 0.000 0.830 8 L CB -0.350 41.684 42.059 -0.042 0.000 0.996 8 L HN -0.005 nan 8.230 nan 0.000 0.467 9 K N 0.374 120.735 120.400 -0.066 0.000 2.026 9 K HA -0.202 4.119 4.320 0.001 0.000 0.208 9 K C 2.074 178.638 176.600 -0.060 0.000 1.048 9 K CA 1.785 58.009 56.287 -0.106 0.000 0.929 9 K CB -0.214 32.334 32.500 0.079 0.000 0.713 9 K HN 0.467 nan 8.250 nan 0.000 0.439 10 E N -0.131 120.092 120.200 0.037 0.000 2.338 10 E HA -0.207 4.143 4.350 0.001 0.000 0.197 10 E C 1.650 178.262 176.600 0.020 0.000 1.007 10 E CA 0.897 57.341 56.400 0.072 0.000 0.849 10 E CB 0.138 29.875 29.700 0.062 0.000 0.774 10 E HN 0.383 nan 8.360 nan 0.000 0.506 11 Q N 0.050 119.828 119.800 -0.036 0.000 2.123 11 Q HA -0.096 4.245 4.340 0.001 0.000 0.196 11 Q C 1.944 177.898 176.000 -0.077 0.000 0.958 11 Q CA 1.423 57.198 55.803 -0.046 0.000 0.841 11 Q CB 0.100 28.808 28.738 -0.051 0.000 0.915 11 Q HN 0.177 nan 8.270 nan 0.000 0.455 12 K N -1.128 119.166 120.400 -0.175 0.000 2.444 12 K HA -0.038 4.282 4.320 0.001 0.000 0.193 12 K C 0.513 177.017 176.600 -0.160 0.000 1.024 12 K CA 0.761 56.915 56.287 -0.221 0.000 1.077 12 K CB 0.262 32.559 32.500 -0.338 0.000 0.833 12 K HN 0.232 nan 8.250 nan 0.000 0.517 13 Y N 0.729 121.027 120.300 -0.003 0.000 2.531 13 Y HA 0.043 4.594 4.550 0.001 0.000 0.249 13 Y C 1.577 177.443 175.900 -0.057 0.000 1.168 13 Y CA -0.722 57.370 58.100 -0.013 0.000 1.226 13 Y CB 0.460 38.938 38.460 0.030 0.000 1.177 13 Y HN 0.230 nan 8.280 nan 0.000 0.527 14 D N 1.469 121.915 120.400 0.075 0.000 2.126 14 D HA -0.228 4.413 4.640 0.001 0.000 0.190 14 D C 1.740 178.010 176.300 -0.050 0.000 1.001 14 D CA 1.501 55.507 54.000 0.010 0.000 0.841 14 D CB 0.287 41.083 40.800 -0.006 0.000 0.949 14 D HN 0.201 nan 8.370 nan 0.000 0.446 15 R N 0.240 120.703 120.500 -0.062 0.000 2.200 15 R HA -0.148 4.192 4.340 0.001 0.000 0.234 15 R C 2.305 178.468 176.300 -0.229 0.000 1.127 15 R CA 1.236 57.266 56.100 -0.117 0.000 0.989 15 R CB -0.656 29.587 30.300 -0.096 0.000 0.869 15 R HN 0.676 nan 8.270 nan 0.000 0.459 16 Q N -0.600 119.022 119.800 -0.298 0.000 2.391 16 Q HA 0.137 4.478 4.340 0.001 0.000 0.211 16 Q C 1.937 177.439 176.000 -0.829 0.000 0.908 16 Q CA 0.122 55.514 55.803 -0.685 0.000 0.920 16 Q CB -0.153 28.100 28.738 -0.808 0.000 1.056 16 Q HN 0.202 nan 8.270 nan 0.000 0.523 17 L N 0.757 121.745 121.223 -0.392 0.000 2.201 17 L HA -0.027 4.314 4.340 0.001 0.000 0.212 17 L C 2.289 179.042 176.870 -0.194 0.000 1.105 17 L CA 0.940 55.641 54.840 -0.231 0.000 0.775 17 L CB -0.143 41.894 42.059 -0.036 0.000 0.913 17 L HN 0.181 nan 8.230 nan 0.000 0.440 18 R N -0.467 119.913 120.500 -0.200 0.000 2.285 18 R HA -0.040 4.301 4.340 0.001 0.000 0.213 18 R C 1.794 178.004 176.300 -0.152 0.000 1.068 18 R CA 0.738 56.760 56.100 -0.130 0.000 1.004 18 R CB 0.033 30.266 30.300 -0.112 0.000 0.873 18 R HN 0.372 nan 8.270 nan 0.000 0.467 19 L N -1.928 119.121 121.223 -0.290 0.000 2.445 19 L HA 0.092 4.433 4.340 0.001 0.000 0.207 19 L C 1.269 178.104 176.870 -0.057 0.000 1.053 19 L CA 0.242 54.945 54.840 -0.229 0.000 0.841 19 L CB 0.078 41.908 42.059 -0.382 0.000 1.074 19 L HN 0.313 nan 8.230 nan 0.000 0.479 20 W N -0.462 120.828 121.300 -0.017 0.000 2.714 20 W HA 0.678 5.338 4.660 0.001 0.000 0.353 20 W C 0.622 177.034 176.519 -0.180 0.000 0.999 20 W CA -0.447 56.868 57.345 -0.050 0.000 1.629 20 W CB -0.962 28.505 29.460 0.013 0.000 1.106 20 W HN 0.056 nan 8.180 nan 0.000 0.545 21 G N 1.777 110.641 108.800 0.108 0.000 2.888 21 G HA2 -0.317 3.643 3.960 0.001 0.000 0.441 21 G HA3 -0.317 3.643 3.960 0.001 0.000 0.441 21 G C 0.585 175.580 174.900 0.159 0.000 1.461 21 G CA 0.150 45.325 45.100 0.124 0.000 0.897 21 G HN 0.223 nan 8.290 nan 0.000 0.547 22 D N 0.180 120.705 120.400 0.208 0.000 2.149 22 D HA -0.183 4.457 4.640 0.001 0.000 0.198 22 D C 2.044 178.459 176.300 0.192 0.000 0.990 22 D CA 1.981 56.097 54.000 0.193 0.000 0.839 22 D CB -0.187 40.717 40.800 0.173 0.000 0.948 22 D HN 0.740 nan 8.370 nan 0.000 0.460 23 H N 0.134 119.267 119.070 0.105 0.000 2.357 23 H HA -0.000 4.556 4.556 0.001 0.000 0.301 23 H C 2.261 177.628 175.328 0.064 0.000 1.082 23 H CA 1.502 57.592 56.048 0.070 0.000 1.342 23 H CB -1.106 28.686 29.762 0.051 0.000 1.389 23 H HN 0.108 nan 8.280 nan 0.000 0.511 24 G N 0.651 109.199 108.800 -0.421 0.000 2.418 24 G HA2 -0.339 3.621 3.960 0.001 0.000 0.217 24 G HA3 -0.339 3.621 3.960 0.001 0.000 0.217 24 G C 1.803 176.559 174.900 -0.239 0.000 1.158 24 G CA 0.989 45.908 45.100 -0.302 0.000 0.771 24 G HN 0.438 nan 8.290 nan 0.000 0.545 25 Q N 0.422 120.242 119.800 0.033 0.000 2.170 25 Q HA -0.055 4.286 4.340 0.001 0.000 0.203 25 Q C 2.244 178.227 176.000 -0.028 0.000 0.976 25 Q CA 1.938 57.779 55.803 0.063 0.000 0.858 25 Q CB -0.300 28.546 28.738 0.181 0.000 0.907 25 Q HN 0.690 nan 8.270 nan 0.000 0.433 26 E N -1.220 118.981 120.200 0.002 0.000 2.072 26 E HA -0.111 4.239 4.350 0.001 0.000 0.190 26 E C 1.769 178.352 176.600 -0.028 0.000 0.982 26 E CA 0.755 57.160 56.400 0.009 0.000 0.803 26 E CB -0.185 29.544 29.700 0.048 0.000 0.755 26 E HN 0.439 nan 8.360 nan 0.000 0.453 27 A N 1.232 124.019 122.820 -0.055 0.000 1.917 27 A HA -0.209 4.111 4.320 0.001 0.000 0.219 27 A C 2.144 179.668 177.584 -0.100 0.000 1.182 27 A CA 1.384 53.379 52.037 -0.069 0.000 0.633 27 A CB -0.738 18.207 19.000 -0.092 0.000 0.819 27 A HN 0.375 nan 8.150 nan 0.000 0.448 28 L N 0.022 121.141 121.223 -0.174 0.000 2.042 28 L HA -0.154 4.187 4.340 0.001 0.000 0.210 28 L C 2.067 178.877 176.870 -0.100 0.000 1.076 28 L CA 2.319 57.043 54.840 -0.195 0.000 0.749 28 L CB -0.461 41.408 42.059 -0.317 0.000 0.893 28 L HN 0.511 nan 8.230 nan 0.000 0.432 29 E N -1.542 118.616 120.200 -0.069 0.000 2.511 29 E HA -0.025 4.325 4.350 0.001 0.000 0.196 29 E C 1.488 178.083 176.600 -0.009 0.000 1.066 29 E CA 0.568 56.952 56.400 -0.026 0.000 0.871 29 E CB 0.115 29.815 29.700 -0.001 0.000 0.863 29 E HN 0.413 nan 8.360 nan 0.000 0.520 30 S N 0.204 115.897 115.700 -0.012 0.000 2.540 30 S HA 0.233 4.704 4.470 0.001 0.000 0.218 30 S C 0.404 175.014 174.600 0.017 0.000 0.977 30 S CA -0.323 57.879 58.200 0.002 0.000 0.918 30 S CB 0.757 63.959 63.200 0.003 0.000 0.806 30 S HN 0.225 nan 8.310 nan 0.000 0.496 31 A N 1.314 124.144 122.820 0.017 0.000 2.279 31 A HA 0.660 4.981 4.320 0.001 0.000 0.303 31 A C -0.468 177.192 177.584 0.126 0.000 1.108 31 A CA -0.352 51.722 52.037 0.061 0.000 0.830 31 A CB 0.382 19.400 19.000 0.030 0.000 1.106 31 A HN 0.560 nan 8.150 nan 0.000 0.493 32 H N 0.118 119.239 119.070 0.084 0.000 3.078 32 H HA 0.508 5.065 4.556 0.001 0.000 0.319 32 H C -1.398 174.071 175.328 0.234 0.000 0.995 32 H CA -0.580 55.562 56.048 0.157 0.000 1.417 32 H CB 1.366 31.215 29.762 0.144 0.000 1.598 32 H HN 0.619 nan 8.280 nan 0.000 0.515 33 V N 4.940 125.124 119.914 0.449 0.000 2.732 33 V HA 0.454 4.574 4.120 0.001 0.000 0.310 33 V C -0.770 175.395 176.094 0.119 0.000 1.053 33 V CA -0.531 61.905 62.300 0.226 0.000 0.957 33 V CB 1.542 33.434 31.823 0.116 0.000 1.018 33 V HN 0.905 nan 8.190 nan 0.000 0.452 34 C N 7.387 126.548 119.300 -0.230 0.000 2.319 34 C HA 0.719 5.180 4.460 0.001 0.000 0.323 34 C C -0.680 174.198 174.990 -0.187 0.000 1.277 34 C CA -0.902 57.836 59.018 -0.468 0.000 1.517 34 C CB 0.051 26.996 27.740 -1.326 0.000 2.206 34 C HN 0.964 nan 8.230 nan 0.000 0.486 35 L N 7.829 129.029 121.223 -0.039 0.000 2.272 35 L HA 0.689 5.030 4.340 0.001 0.000 0.289 35 L C -0.558 176.329 176.870 0.028 0.000 1.032 35 L CA -0.022 54.814 54.840 -0.007 0.000 0.810 35 L CB 0.893 42.962 42.059 0.017 0.000 1.205 35 L HN 0.667 nan 8.230 nan 0.000 0.422 36 I N 5.856 126.431 120.570 0.009 0.000 2.336 36 I HA 0.378 4.549 4.170 0.001 0.000 0.292 36 I C -0.526 175.623 176.117 0.053 0.000 0.991 36 I CA -0.734 60.596 61.300 0.050 0.000 1.227 36 I CB 0.851 38.861 38.000 0.017 0.000 1.366 36 I HN 0.709 nan 8.210 nan 0.000 0.466 37 N N 4.663 123.410 118.700 0.077 0.000 3.996 37 N HA -0.141 4.599 4.740 0.001 0.000 0.296 37 N C -0.731 174.813 175.510 0.057 0.000 2.150 37 N CA 0.542 53.634 53.050 0.069 0.000 2.698 37 N CB -0.012 38.512 38.487 0.062 0.000 0.443 37 N HN 0.822 nan 8.380 nan 0.000 0.615 38 A N 2.063 124.921 122.820 0.062 0.000 2.880 38 A HA 0.561 4.882 4.320 0.001 0.000 0.328 38 A C 0.779 178.395 177.584 0.054 0.000 1.440 38 A CA 0.286 52.355 52.037 0.053 0.000 1.068 38 A CB -0.017 19.020 19.000 0.063 0.000 1.163 38 A HN 0.585 nan 8.150 nan 0.000 0.510 39 T N -2.221 112.360 114.554 0.044 0.000 2.870 39 T HA 0.663 5.013 4.350 0.001 0.000 0.277 39 T C 1.564 176.289 174.700 0.043 0.000 1.000 39 T CA -0.069 62.057 62.100 0.043 0.000 0.982 39 T CB 1.164 70.050 68.868 0.030 0.000 1.249 39 T HN 0.786 nan 8.240 nan 0.000 0.589 40 A N 0.853 123.698 122.820 0.041 0.000 1.896 40 A HA -0.153 4.167 4.320 0.001 0.000 0.220 40 A C 2.377 179.946 177.584 -0.025 0.000 1.206 40 A CA 2.876 54.929 52.037 0.027 0.000 0.647 40 A CB -2.106 16.882 19.000 -0.021 0.000 0.828 40 A HN 0.920 nan 8.150 nan 0.000 0.455 41 T N -0.389 114.145 114.554 -0.034 0.000 2.607 41 T HA -0.118 4.233 4.350 0.001 0.000 0.267 41 T C 1.996 176.681 174.700 -0.025 0.000 1.049 41 T CA 1.955 64.036 62.100 -0.032 0.000 1.162 41 T CB -0.979 67.887 68.868 -0.003 0.000 0.863 41 T HN 0.659 nan 8.240 nan 0.000 0.424 42 G N 1.359 110.153 108.800 -0.009 0.000 2.446 42 G HA2 -0.258 3.702 3.960 0.001 0.000 0.217 42 G HA3 -0.258 3.702 3.960 0.001 0.000 0.217 42 G C 1.856 176.723 174.900 -0.055 0.000 1.168 42 G CA 1.822 46.909 45.100 -0.022 0.000 0.771 42 G HN 0.637 nan 8.290 nan 0.000 0.551 43 T N -1.245 113.292 114.554 -0.028 0.000 2.867 43 T HA -0.008 4.342 4.350 0.001 0.000 0.268 43 T C 1.988 176.635 174.700 -0.087 0.000 1.057 43 T CA 1.540 63.599 62.100 -0.070 0.000 1.136 43 T CB -0.057 68.860 68.868 0.081 0.000 0.874 43 T HN 0.174 nan 8.240 nan 0.000 0.466 44 E N 1.347 121.539 120.200 -0.013 0.000 2.028 44 E HA 0.051 4.401 4.350 0.001 0.000 0.191 44 E C 2.289 178.842 176.600 -0.078 0.000 0.988 44 E CA 0.850 57.245 56.400 -0.010 0.000 0.799 44 E CB -0.466 29.202 29.700 -0.054 0.000 0.755 44 E HN 0.576 nan 8.360 nan 0.000 0.447 45 I N 0.825 121.341 120.570 -0.089 0.000 2.145 45 I HA -0.314 3.857 4.170 0.001 0.000 0.244 45 I C 2.522 178.555 176.117 -0.140 0.000 1.075 45 I CA 0.894 62.132 61.300 -0.103 0.000 1.332 45 I CB -0.297 37.654 38.000 -0.082 0.000 1.033 45 I HN 0.088 nan 8.210 nan 0.000 0.410 46 L N 1.142 122.251 121.223 -0.190 0.000 2.083 46 L HA -0.219 4.122 4.340 0.001 0.000 0.209 46 L C 2.538 179.212 176.870 -0.327 0.000 1.083 46 L CA 1.824 56.489 54.840 -0.291 0.000 0.752 46 L CB -0.697 41.119 42.059 -0.405 0.000 0.899 46 L HN 0.184 nan 8.230 nan 0.000 0.433 47 K N -0.933 119.279 120.400 -0.312 0.000 2.097 47 K HA -0.191 4.130 4.320 0.001 0.000 0.206 47 K C 1.480 178.011 176.600 -0.115 0.000 1.049 47 K CA 1.650 57.787 56.287 -0.251 0.000 0.933 47 K CB -0.205 32.206 32.500 -0.148 0.000 0.717 47 K HN 0.369 nan 8.250 nan 0.000 0.442 48 N N 0.644 119.284 118.700 -0.100 0.000 2.515 48 N HA -0.030 4.710 4.740 0.001 0.000 0.185 48 N C 1.401 176.874 175.510 -0.061 0.000 1.109 48 N CA 0.631 53.641 53.050 -0.067 0.000 0.903 48 N CB 0.222 38.659 38.487 -0.083 0.000 0.969 48 N HN 0.318 nan 8.380 nan 0.000 0.450 49 L N -0.808 120.359 121.223 -0.093 0.000 2.467 49 L HA 0.118 4.458 4.340 0.001 0.000 0.213 49 L C 1.978 178.818 176.870 -0.050 0.000 1.053 49 L CA 0.196 54.990 54.840 -0.077 0.000 0.847 49 L CB 0.009 42.012 42.059 -0.094 0.000 1.075 49 L HN -0.142 nan 8.230 nan 0.000 0.479 50 V N 0.645 120.506 119.914 -0.090 0.000 2.261 50 V HA -0.288 3.833 4.120 0.001 0.000 0.246 50 V C 2.427 178.551 176.094 0.049 0.000 1.047 50 V CA 1.742 64.023 62.300 -0.031 0.000 1.015 50 V CB -0.348 31.401 31.823 -0.124 0.000 0.642 50 V HN 0.292 nan 8.190 nan 0.000 0.446 51 L N 0.588 121.840 121.223 0.049 0.000 1.990 51 L HA -0.143 4.198 4.340 0.001 0.000 0.213 51 L C 0.215 177.182 176.870 0.162 0.000 1.072 51 L CA 2.013 56.921 54.840 0.114 0.000 0.755 51 L CB -1.943 40.171 42.059 0.091 0.000 0.889 51 L HN 0.373 nan 8.230 nan 0.000 0.432 52 P HA -0.121 nan 4.420 nan 0.000 0.223 52 P C 0.763 178.004 177.300 -0.098 0.000 1.144 52 P CA 1.797 64.948 63.100 0.085 0.000 0.783 52 P CB 0.038 31.839 31.700 0.169 0.000 0.771 53 G N 0.348 109.147 108.800 -0.003 0.000 2.392 53 G HA2 -0.205 3.756 3.960 0.001 0.000 0.215 53 G HA3 -0.205 3.756 3.960 0.001 0.000 0.215 53 G C -0.215 174.670 174.900 -0.026 0.000 1.097 53 G CA -0.335 44.760 45.100 -0.009 0.000 0.840 53 G HN 0.436 nan 8.290 nan 0.000 0.492 54 I N 0.541 121.111 120.570 0.001 0.000 2.836 54 I HA 0.426 4.597 4.170 0.001 0.000 0.285 54 I C 1.803 177.943 176.117 0.039 0.000 1.174 54 I CA 0.889 62.189 61.300 0.000 0.000 1.405 54 I CB 0.761 38.776 38.000 0.024 0.000 1.385 54 I HN 0.201 nan 8.210 nan 0.000 0.594 55 G N 4.526 113.335 108.800 0.016 0.000 2.446 55 G HA2 -0.125 3.836 3.960 0.001 0.000 0.217 55 G HA3 -0.125 3.836 3.960 0.001 0.000 0.217 55 G C 0.161 175.042 174.900 -0.031 0.000 1.168 55 G CA 1.009 46.109 45.100 -0.000 0.000 0.771 55 G HN 0.776 nan 8.290 nan 0.000 0.551 56 S N -1.636 114.037 115.700 -0.046 0.000 2.578 56 S HA 0.618 5.088 4.470 0.001 0.000 0.272 56 S C -1.006 173.601 174.600 0.012 0.000 1.145 56 S CA -0.981 57.117 58.200 -0.170 0.000 0.835 56 S CB 1.566 64.444 63.200 -0.537 0.000 1.104 56 S HN 0.903 nan 8.310 nan 0.000 0.458 57 F N -1.414 118.528 119.950 -0.013 0.000 2.629 57 F HA 0.954 5.482 4.527 0.001 0.000 0.316 57 F C -0.911 175.043 175.800 0.257 0.000 1.081 57 F CA -0.809 57.287 58.000 0.160 0.000 0.954 57 F CB 1.630 40.674 39.000 0.075 0.000 1.337 57 F HN 0.596 nan 8.300 nan 0.000 0.474 58 T N 2.590 117.406 114.554 0.436 0.000 2.991 58 T HA 0.562 4.912 4.350 0.001 0.000 0.303 58 T C -0.867 174.034 174.700 0.336 0.000 1.015 58 T CA -0.427 61.886 62.100 0.355 0.000 1.007 58 T CB 1.384 70.524 68.868 0.453 0.000 1.034 58 T HN 0.600 nan 8.240 nan 0.000 0.446 59 I N 3.412 124.209 120.570 0.377 0.000 2.359 59 I HA 0.464 4.634 4.170 0.001 0.000 0.294 59 I C -0.764 175.525 176.117 0.287 0.000 0.987 59 I CA -0.959 60.520 61.300 0.298 0.000 1.225 59 I CB 1.366 39.541 38.000 0.290 0.000 1.366 59 I HN 0.443 nan 8.210 nan 0.000 0.466 60 I N 5.658 126.365 120.570 0.228 0.000 2.371 60 I HA 0.331 4.501 4.170 0.001 0.000 0.282 60 I C -0.522 175.698 176.117 0.171 0.000 1.031 60 I CA 0.073 61.508 61.300 0.224 0.000 1.180 60 I CB 0.653 38.813 38.000 0.265 0.000 1.336 60 I HN 0.408 nan 8.210 nan 0.000 0.467 61 D N 3.679 124.177 120.400 0.163 0.000 2.855 61 D HA 0.413 5.053 4.640 0.001 0.000 0.241 61 D C 0.753 177.121 176.300 0.113 0.000 1.277 61 D CA -0.354 53.720 54.000 0.123 0.000 0.918 61 D CB 2.213 43.077 40.800 0.106 0.000 1.462 61 D HN 0.521 nan 8.370 nan 0.000 0.559 62 G N 3.001 111.857 108.800 0.094 0.000 2.744 62 G HA2 -0.049 3.912 3.960 0.001 0.000 0.211 62 G HA3 -0.049 3.912 3.960 0.001 0.000 0.211 62 G C 0.780 175.724 174.900 0.072 0.000 1.146 62 G CA -0.154 44.995 45.100 0.081 0.000 0.787 62 G HN 0.395 nan 8.290 nan 0.000 0.534 63 N N 0.781 119.524 118.700 0.072 0.000 2.326 63 N HA 0.143 4.883 4.740 0.001 0.000 0.239 63 N C -0.151 175.393 175.510 0.058 0.000 1.301 63 N CA 0.398 53.487 53.050 0.065 0.000 0.909 63 N CB 0.548 39.075 38.487 0.067 0.000 1.156 63 N HN 0.238 nan 8.380 nan 0.000 0.462 64 Q N 0.187 120.018 119.800 0.053 0.000 2.266 64 Q HA 0.357 4.697 4.340 0.001 0.000 0.261 64 Q C -0.635 175.390 176.000 0.042 0.000 0.985 64 Q CA -0.847 54.983 55.803 0.045 0.000 0.873 64 Q CB 2.077 30.840 28.738 0.043 0.000 1.306 64 Q HN 0.271 nan 8.270 nan 0.000 0.447 65 V N 2.901 122.837 119.914 0.037 0.000 2.434 65 V HA -0.032 4.088 4.120 0.001 0.000 0.281 65 V C 0.670 176.782 176.094 0.030 0.000 1.005 65 V CA 0.329 62.649 62.300 0.034 0.000 1.089 65 V CB -0.155 31.686 31.823 0.030 0.000 0.978 65 V HN 0.827 nan 8.190 nan 0.000 0.474 66 S N 4.503 120.222 115.700 0.031 0.000 2.686 66 S HA 0.494 4.965 4.470 0.001 0.000 0.270 66 S C 1.492 176.104 174.600 0.020 0.000 1.194 66 S CA -0.013 58.204 58.200 0.029 0.000 0.990 66 S CB 1.498 64.718 63.200 0.034 0.000 1.029 66 S HN 0.762 nan 8.310 nan 0.000 0.560 67 G N 0.073 108.884 108.800 0.019 0.000 2.421 67 G HA2 -0.110 3.851 3.960 0.001 0.000 0.216 67 G HA3 -0.110 3.851 3.960 0.001 0.000 0.216 67 G C 1.188 176.093 174.900 0.008 0.000 1.171 67 G CA 0.781 45.888 45.100 0.011 0.000 0.775 67 G HN 0.841 nan 8.290 nan 0.000 0.543 68 E N 0.672 120.880 120.200 0.012 0.000 2.023 68 E HA -0.136 4.215 4.350 0.001 0.000 0.196 68 E C 2.207 178.814 176.600 0.012 0.000 1.003 68 E CA 1.161 57.567 56.400 0.009 0.000 0.809 68 E CB -0.142 29.565 29.700 0.011 0.000 0.755 68 E HN 0.311 nan 8.360 nan 0.000 0.449 69 D N 0.651 121.062 120.400 0.018 0.000 2.133 69 D HA -0.221 4.420 4.640 0.001 0.000 0.192 69 D C 1.913 178.221 176.300 0.013 0.000 1.001 69 D CA 1.572 55.586 54.000 0.023 0.000 0.844 69 D CB -0.293 40.525 40.800 0.029 0.000 0.944 69 D HN 0.188 nan 8.370 nan 0.000 0.447 70 A N 0.639 123.458 122.820 -0.001 0.000 2.070 70 A HA -0.022 4.299 4.320 0.001 0.000 0.220 70 A C 2.306 179.867 177.584 -0.039 0.000 1.159 70 A CA 1.968 53.988 52.037 -0.028 0.000 0.656 70 A CB -0.681 18.302 19.000 -0.028 0.000 0.800 70 A HN 0.332 nan 8.150 nan 0.000 0.453 71 G N 0.286 109.076 108.800 -0.016 0.000 2.492 71 G HA2 -0.096 3.865 3.960 0.001 0.000 0.214 71 G HA3 -0.096 3.865 3.960 0.001 0.000 0.214 71 G C 0.983 175.883 174.900 -0.000 0.000 1.147 71 G CA 0.745 45.834 45.100 -0.018 0.000 0.809 71 G HN 0.696 nan 8.290 nan 0.000 0.533 72 N N 0.020 118.744 118.700 0.039 0.000 2.321 72 N HA 0.071 4.812 4.740 0.001 0.000 0.242 72 N C -0.654 174.989 175.510 0.221 0.000 1.141 72 N CA -0.417 52.702 53.050 0.115 0.000 0.864 72 N CB -0.070 38.480 38.487 0.105 0.000 1.100 72 N HN 0.111 nan 8.380 nan 0.000 0.510 73 N N 0.272 119.042 118.700 0.117 0.000 2.371 73 N HA 0.172 4.912 4.740 0.001 0.000 0.291 73 N C -1.078 174.446 175.510 0.024 0.000 1.053 73 N CA -0.456 52.686 53.050 0.154 0.000 0.870 73 N CB 0.919 39.467 38.487 0.100 0.000 1.503 73 N HN -0.031 nan 8.380 nan 0.000 0.485 74 F N 2.691 122.563 119.950 -0.130 0.000 2.811 74 F HA 0.296 4.824 4.527 0.001 0.000 0.301 74 F C 0.305 175.540 175.800 -0.940 0.000 1.151 74 F CA 0.407 58.103 58.000 -0.507 0.000 1.412 74 F CB 0.123 38.806 39.000 -0.527 0.000 1.113 74 F HN 0.439 nan 8.300 nan 0.000 0.579 75 F N 0.166 120.005 119.950 -0.185 0.000 2.698 75 F HA 0.341 4.869 4.527 0.001 0.000 0.304 75 F C -0.393 175.125 175.800 -0.470 0.000 1.108 75 F CA -0.117 57.680 58.000 -0.339 0.000 1.263 75 F CB 0.215 39.209 39.000 -0.009 0.000 1.013 75 F HN -0.349 nan 8.300 nan 0.000 0.532 76 L N 0.866 121.854 121.223 -0.392 0.000 2.372 76 L HA 0.453 4.793 4.340 0.001 0.000 0.274 76 L C -0.307 176.346 176.870 -0.360 0.000 0.988 76 L CA -0.828 53.860 54.840 -0.253 0.000 0.833 76 L CB 1.808 43.825 42.059 -0.070 0.000 1.236 76 L HN -0.062 nan 8.230 nan 0.000 0.410 77 Q N 1.397 121.020 119.800 -0.295 0.000 2.316 77 Q HA 0.243 4.584 4.340 0.001 0.000 0.215 77 Q C 1.091 177.049 176.000 -0.070 0.000 1.020 77 Q CA 0.133 55.826 55.803 -0.185 0.000 0.970 77 Q CB 1.177 29.935 28.738 0.032 0.000 1.187 77 Q HN 0.418 nan 8.270 nan 0.000 0.546 78 R N -0.188 120.279 120.500 -0.054 0.000 2.091 78 R HA -0.158 4.183 4.340 0.001 0.000 0.238 78 R C 1.711 178.011 176.300 -0.000 0.000 1.136 78 R CA 1.916 57.999 56.100 -0.028 0.000 0.959 78 R CB -0.296 29.988 30.300 -0.026 0.000 0.856 78 R HN 0.806 nan 8.270 nan 0.000 0.437 79 S N -0.165 115.545 115.700 0.018 0.000 2.447 79 S HA -0.114 4.357 4.470 0.001 0.000 0.233 79 S C 1.843 176.466 174.600 0.038 0.000 1.006 79 S CA 1.073 59.290 58.200 0.029 0.000 0.957 79 S CB -0.182 63.040 63.200 0.037 0.000 0.773 79 S HN 0.475 nan 8.310 nan 0.000 0.507 80 S N 1.194 116.923 115.700 0.049 0.000 2.547 80 S HA 0.169 4.640 4.470 0.001 0.000 0.235 80 S C 0.642 175.262 174.600 0.034 0.000 0.980 80 S CA -0.285 57.948 58.200 0.055 0.000 0.941 80 S CB -0.978 62.272 63.200 0.082 0.000 0.763 80 S HN 0.573 nan 8.310 nan 0.000 0.532 81 I N 2.266 122.850 120.570 0.023 0.000 2.683 81 I HA 0.340 4.511 4.170 0.001 0.000 0.286 81 I C 1.674 177.805 176.117 0.024 0.000 1.175 81 I CA 0.970 62.282 61.300 0.020 0.000 1.429 81 I CB 0.233 38.241 38.000 0.014 0.000 1.371 81 I HN 0.471 nan 8.210 nan 0.000 0.569 82 G N 5.235 114.050 108.800 0.026 0.000 2.358 82 G HA2 -0.225 3.736 3.960 0.001 0.000 0.224 82 G HA3 -0.225 3.736 3.960 0.001 0.000 0.224 82 G C 0.456 175.374 174.900 0.030 0.000 1.073 82 G CA -0.378 44.739 45.100 0.028 0.000 0.635 82 G HN 0.543 nan 8.290 nan 0.000 0.509 83 K N 1.030 121.448 120.400 0.030 0.000 2.140 83 K HA 0.283 4.604 4.320 0.001 0.000 0.237 83 K C 0.326 176.943 176.600 0.028 0.000 1.045 83 K CA -0.425 55.880 56.287 0.029 0.000 0.896 83 K CB 0.373 32.889 32.500 0.025 0.000 1.122 83 K HN 0.312 nan 8.250 nan 0.000 0.503 84 N N 1.328 120.041 118.700 0.023 0.000 2.475 84 N HA -0.038 4.703 4.740 0.001 0.000 0.267 84 N C 0.727 176.236 175.510 -0.001 0.000 1.169 84 N CA 0.188 53.252 53.050 0.023 0.000 0.947 84 N CB 0.783 39.294 38.487 0.041 0.000 1.061 84 N HN 0.452 nan 8.380 nan 0.000 0.466 85 R N 3.262 123.776 120.500 0.023 0.000 2.080 85 R HA -0.170 4.170 4.340 0.001 0.000 0.236 85 R C 2.020 178.324 176.300 0.007 0.000 1.137 85 R CA 2.125 58.242 56.100 0.027 0.000 0.943 85 R CB -0.337 29.992 30.300 0.048 0.000 0.846 85 R HN 0.782 nan 8.270 nan 0.000 0.431 86 A N 0.556 123.383 122.820 0.012 0.000 1.908 86 A HA -0.252 4.069 4.320 0.001 0.000 0.218 86 A C 2.025 179.461 177.584 -0.247 0.000 1.181 86 A CA 1.818 53.857 52.037 0.003 0.000 0.627 86 A CB -0.610 18.471 19.000 0.136 0.000 0.818 86 A HN 0.552 nan 8.150 nan 0.000 0.445 87 E N -0.355 119.558 120.200 -0.478 0.000 2.150 87 E HA -0.067 4.283 4.350 0.001 0.000 0.193 87 E C 2.101 178.473 176.600 -0.381 0.000 0.985 87 E CA 0.855 56.709 56.400 -0.910 0.000 0.814 87 E CB -0.207 29.068 29.700 -0.708 0.000 0.752 87 E HN 0.552 nan 8.360 nan 0.000 0.466 88 A N 1.360 124.098 122.820 -0.137 0.000 1.855 88 A HA -0.028 4.292 4.320 0.001 0.000 0.215 88 A C 2.404 180.090 177.584 0.172 0.000 1.191 88 A CA 1.620 53.680 52.037 0.039 0.000 0.613 88 A CB -0.840 18.207 19.000 0.080 0.000 0.829 88 A HN 0.391 nan 8.150 nan 0.000 0.442 89 A N -0.719 122.183 122.820 0.137 0.000 1.841 89 A HA -0.207 4.113 4.320 0.001 0.000 0.216 89 A C 2.205 179.918 177.584 0.214 0.000 1.199 89 A CA 2.182 54.347 52.037 0.214 0.000 0.621 89 A CB -0.712 18.360 19.000 0.121 0.000 0.835 89 A HN 0.453 nan 8.150 nan 0.000 0.445 90 M N -0.018 119.663 119.600 0.134 0.000 2.153 90 M HA -0.268 4.212 4.480 0.001 0.000 0.253 90 M C 1.872 178.282 176.300 0.183 0.000 1.081 90 M CA 2.313 57.745 55.300 0.220 0.000 1.076 90 M CB -1.050 31.643 32.600 0.155 0.000 1.350 90 M HN 0.609 nan 8.290 nan 0.000 0.401 91 E N -1.307 118.941 120.200 0.080 0.000 2.077 91 E HA -0.192 4.158 4.350 0.001 0.000 0.193 91 E C 1.796 178.359 176.600 -0.062 0.000 0.989 91 E CA 1.429 57.805 56.400 -0.040 0.000 0.800 91 E CB -0.244 29.332 29.700 -0.207 0.000 0.746 91 E HN 0.530 nan 8.360 nan 0.000 0.452 92 F N 0.520 120.566 119.950 0.160 0.000 2.335 92 F HA 0.030 4.557 4.527 0.001 0.000 0.296 92 F C 2.076 178.063 175.800 0.313 0.000 1.091 92 F CA 0.457 58.618 58.000 0.267 0.000 1.399 92 F CB -0.079 39.150 39.000 0.382 0.000 1.067 92 F HN -0.084 nan 8.300 nan 0.000 0.520 93 L N -0.220 121.168 121.223 0.275 0.000 2.362 93 L HA -0.162 4.178 4.340 0.001 0.000 0.219 93 L C 2.240 179.172 176.870 0.103 0.000 1.134 93 L CA 0.800 55.590 54.840 -0.084 0.000 0.807 93 L CB -0.441 41.399 42.059 -0.365 0.000 0.927 93 L HN 0.151 nan 8.230 nan 0.000 0.447 94 Q N 0.515 120.445 119.800 0.217 0.000 2.331 94 Q HA -0.124 4.217 4.340 0.001 0.000 0.203 94 Q C 1.728 177.824 176.000 0.159 0.000 0.944 94 Q CA 1.038 56.976 55.803 0.226 0.000 0.892 94 Q CB 0.163 29.017 28.738 0.193 0.000 0.983 94 Q HN 0.459 nan 8.270 nan 0.000 0.482 95 E N -0.366 119.929 120.200 0.158 0.000 2.427 95 E HA -0.043 4.308 4.350 0.001 0.000 0.196 95 E C 1.494 178.188 176.600 0.157 0.000 1.028 95 E CA 0.285 56.766 56.400 0.135 0.000 0.864 95 E CB 0.082 29.861 29.700 0.131 0.000 0.813 95 E HN 0.383 nan 8.360 nan 0.000 0.514 96 L N 0.568 121.902 121.223 0.185 0.000 2.201 96 L HA -0.057 4.284 4.340 0.001 0.000 0.212 96 L C 0.845 177.797 176.870 0.136 0.000 1.105 96 L CA 0.554 55.497 54.840 0.172 0.000 0.775 96 L CB -0.024 42.129 42.059 0.157 0.000 0.913 96 L HN 0.089 nan 8.230 nan 0.000 0.440 97 N N -1.396 117.384 118.700 0.134 0.000 2.812 97 N HA -0.008 4.733 4.740 0.001 0.000 0.262 97 N C 0.479 176.065 175.510 0.126 0.000 1.241 97 N CA 0.179 53.308 53.050 0.132 0.000 0.854 97 N CB 1.088 39.672 38.487 0.162 0.000 1.506 97 N HN -0.060 nan 8.380 nan 0.000 0.576 98 S N 0.841 116.598 115.700 0.095 0.000 2.547 98 S HA -0.039 4.431 4.470 0.001 0.000 0.235 98 S C 0.483 175.129 174.600 0.078 0.000 0.980 98 S CA 0.685 58.932 58.200 0.078 0.000 0.941 98 S CB 0.066 63.298 63.200 0.053 0.000 0.763 98 S HN 0.485 nan 8.310 nan 0.000 0.532 99 D N 1.139 121.600 120.400 0.101 0.000 2.325 99 D HA 0.241 4.882 4.640 0.001 0.000 0.225 99 D C -0.352 176.010 176.300 0.104 0.000 1.096 99 D CA 0.177 54.239 54.000 0.104 0.000 0.844 99 D CB 0.751 41.640 40.800 0.149 0.000 0.925 99 D HN 0.276 nan 8.370 nan 0.000 0.513 100 V N 0.654 120.634 119.914 0.111 0.000 2.555 100 V HA 0.218 4.338 4.120 0.001 0.000 0.302 100 V C 0.192 176.319 176.094 0.056 0.000 1.038 100 V CA -0.679 61.691 62.300 0.117 0.000 0.887 100 V CB 2.205 34.159 31.823 0.218 0.000 0.991 100 V HN -0.136 nan 8.190 nan 0.000 0.434 101 S N 3.141 118.812 115.700 -0.048 0.000 2.404 101 S HA 0.584 5.055 4.470 0.001 0.000 0.309 101 S C 0.406 174.751 174.600 -0.425 0.000 1.076 101 S CA -0.403 57.699 58.200 -0.164 0.000 1.095 101 S CB 1.016 64.117 63.200 -0.165 0.000 0.972 101 S HN 1.022 nan 8.310 nan 0.000 0.484 102 G N 1.965 110.476 108.800 -0.483 0.000 2.389 102 G HA2 0.646 4.607 3.960 0.001 0.000 0.317 102 G HA3 0.646 4.607 3.960 0.001 0.000 0.317 102 G C -0.464 174.195 174.900 -0.401 0.000 1.137 102 G CA -0.575 43.924 45.100 -1.002 0.000 0.870 102 G HN 0.745 nan 8.290 nan 0.000 0.496 103 S N -0.393 115.122 115.700 -0.309 0.000 2.588 103 S HA 0.829 5.300 4.470 0.001 0.000 0.269 103 S C -0.986 173.743 174.600 0.216 0.000 1.157 103 S CA -0.943 57.256 58.200 -0.001 0.000 0.824 103 S CB 1.623 64.800 63.200 -0.038 0.000 1.126 103 S HN 1.559 nan 8.310 nan 0.000 0.464 104 F N -0.787 119.213 119.950 0.083 0.000 2.662 104 F HA 0.885 5.412 4.527 0.001 0.000 0.312 104 F C -1.210 174.668 175.800 0.130 0.000 1.113 104 F CA -1.128 56.952 58.000 0.132 0.000 0.951 104 F CB 1.554 40.629 39.000 0.126 0.000 1.344 104 F HN 0.826 nan 8.300 nan 0.000 0.462 105 V N -0.682 119.409 119.914 0.295 0.000 2.612 105 V HA 0.489 4.610 4.120 0.001 0.000 0.301 105 V C -0.925 175.304 176.094 0.226 0.000 1.059 105 V CA -0.683 61.703 62.300 0.144 0.000 0.886 105 V CB 1.637 33.507 31.823 0.077 0.000 1.007 105 V HN 0.906 nan 8.190 nan 0.000 0.426 106 E N 4.680 125.014 120.200 0.223 0.000 2.148 106 E HA 0.391 4.741 4.350 0.001 0.000 0.308 106 E C -0.374 176.281 176.600 0.092 0.000 1.278 106 E CA -0.107 56.407 56.400 0.189 0.000 1.368 106 E CB 0.183 30.007 29.700 0.206 0.000 1.229 106 E HN 0.772 nan 8.360 nan 0.000 0.494 107 E N 0.826 121.064 120.200 0.063 0.000 2.408 107 E HA 0.210 4.561 4.350 0.001 0.000 0.275 107 E C -0.550 176.073 176.600 0.038 0.000 0.935 107 E CA -0.593 55.818 56.400 0.017 0.000 0.775 107 E CB 2.098 31.762 29.700 -0.060 0.000 1.277 107 E HN 0.301 nan 8.360 nan 0.000 0.455 108 S N 0.211 115.934 115.700 0.038 0.000 2.632 108 S HA 0.308 4.779 4.470 0.001 0.000 0.267 108 S C -1.974 172.676 174.600 0.083 0.000 1.276 108 S CA -0.982 57.259 58.200 0.068 0.000 0.998 108 S CB 1.396 64.635 63.200 0.064 0.000 0.953 108 S HN 0.169 nan 8.310 nan 0.000 0.547 109 P HA -0.097 nan 4.420 nan 0.000 0.216 109 P C 1.423 178.824 177.300 0.169 0.000 1.150 109 P CA 1.072 64.316 63.100 0.240 0.000 0.837 109 P CB 0.028 31.855 31.700 0.211 0.000 0.786 110 E N -0.142 120.124 120.200 0.109 0.000 2.035 110 E HA -0.223 4.128 4.350 0.001 0.000 0.204 110 E C 1.789 178.417 176.600 0.046 0.000 1.025 110 E CA 1.284 57.731 56.400 0.078 0.000 0.835 110 E CB -1.340 28.396 29.700 0.060 0.000 0.764 110 E HN 0.305 nan 8.360 nan 0.000 0.457 111 N N 0.998 119.709 118.700 0.018 0.000 2.061 111 N HA -0.167 4.573 4.740 0.001 0.000 0.193 111 N C 2.233 177.709 175.510 -0.057 0.000 1.030 111 N CA 1.017 54.056 53.050 -0.018 0.000 0.856 111 N CB -0.643 37.824 38.487 -0.034 0.000 1.023 111 N HN 0.184 nan 8.380 nan 0.000 0.424 112 L N 0.789 121.948 121.223 -0.107 0.000 2.042 112 L HA -0.113 4.228 4.340 0.001 0.000 0.210 112 L C 2.157 178.976 176.870 -0.084 0.000 1.076 112 L CA 0.865 55.568 54.840 -0.229 0.000 0.749 112 L CB -0.527 41.251 42.059 -0.468 0.000 0.893 112 L HN 0.124 nan 8.230 nan 0.000 0.432 113 L N -0.591 120.657 121.223 0.041 0.000 2.456 113 L HA -0.141 4.200 4.340 0.001 0.000 0.224 113 L C 1.771 178.675 176.870 0.056 0.000 1.148 113 L CA 0.492 55.392 54.840 0.101 0.000 0.825 113 L CB -0.479 41.679 42.059 0.164 0.000 0.937 113 L HN 0.334 nan 8.230 nan 0.000 0.450 114 D N -0.459 119.954 120.400 0.022 0.000 2.355 114 D HA -0.056 4.585 4.640 0.001 0.000 0.233 114 D C 1.777 178.078 176.300 0.002 0.000 0.997 114 D CA 0.699 54.708 54.000 0.015 0.000 0.920 114 D CB -0.070 40.735 40.800 0.009 0.000 1.063 114 D HN 0.227 nan 8.370 nan 0.000 0.465 115 N N 1.015 119.702 118.700 -0.022 0.000 2.051 115 N HA -0.109 4.632 4.740 0.001 0.000 0.192 115 N C 0.506 176.006 175.510 -0.017 0.000 1.049 115 N CA 0.922 53.955 53.050 -0.027 0.000 0.845 115 N CB -0.322 38.134 38.487 -0.051 0.000 1.031 115 N HN 0.121 nan 8.380 nan 0.000 0.425 116 D N 1.562 121.943 120.400 -0.032 0.000 2.443 116 D HA 0.156 4.797 4.640 0.001 0.000 0.221 116 D C -1.711 174.612 176.300 0.038 0.000 1.097 116 D CA -2.039 51.969 54.000 0.013 0.000 0.865 116 D CB 1.515 42.348 40.800 0.056 0.000 1.034 116 D HN 0.091 nan 8.370 nan 0.000 0.511 117 P HA -0.010 nan 4.420 nan 0.000 0.234 117 P C 0.208 177.566 177.300 0.096 0.000 1.167 117 P CA 0.264 63.408 63.100 0.073 0.000 0.763 117 P CB 0.556 32.291 31.700 0.059 0.000 0.835 118 S N -1.156 114.591 115.700 0.078 0.000 2.835 118 S HA 0.206 4.676 4.470 0.001 0.000 0.248 118 S C 0.380 174.995 174.600 0.025 0.000 1.070 118 S CA -0.588 57.653 58.200 0.069 0.000 1.090 118 S CB -0.761 62.460 63.200 0.034 0.000 0.978 118 S HN -0.019 nan 8.310 nan 0.000 0.510 119 F N 1.637 121.490 119.950 -0.161 0.000 2.186 119 F HA 0.129 4.657 4.527 0.001 0.000 0.299 119 F C 0.813 176.458 175.800 -0.258 0.000 1.090 119 F CA 1.214 59.036 58.000 -0.297 0.000 1.307 119 F CB -0.138 38.560 39.000 -0.504 0.000 1.019 119 F HN 0.357 nan 8.300 nan 0.000 0.489 120 F N -0.752 119.274 119.950 0.127 0.000 2.695 120 F HA 0.041 4.568 4.527 0.001 0.000 0.301 120 F C 1.719 177.536 175.800 0.027 0.000 1.182 120 F CA -0.311 57.806 58.000 0.195 0.000 1.412 120 F CB -0.838 38.340 39.000 0.296 0.000 1.056 120 F HN 0.021 nan 8.300 nan 0.000 0.522 121 C N 0.013 119.265 119.300 -0.081 0.000 2.634 121 C HA -0.005 4.456 4.460 0.001 0.000 0.268 121 C C 2.611 177.442 174.990 -0.266 0.000 1.322 121 C CA -0.002 58.957 59.018 -0.099 0.000 1.737 121 C CB -0.847 26.842 27.740 -0.084 0.000 1.976 121 C HN 0.525 nan 8.230 nan 0.000 0.547 122 R N -0.013 120.113 120.500 -0.623 0.000 2.319 122 R HA 0.100 4.441 4.340 0.001 0.000 0.204 122 R C -0.539 175.251 176.300 -0.849 0.000 0.954 122 R CA 0.549 56.191 56.100 -0.764 0.000 1.066 122 R CB -0.411 29.303 30.300 -0.978 0.000 0.991 122 R HN 0.371 nan 8.270 nan 0.000 0.486 123 F N -0.565 119.269 119.950 -0.194 0.000 2.507 123 F HA 0.369 4.897 4.527 0.001 0.000 0.327 123 F C 1.398 177.170 175.800 -0.047 0.000 1.068 123 F CA -1.161 56.748 58.000 -0.153 0.000 0.965 123 F CB 1.897 40.824 39.000 -0.122 0.000 1.192 123 F HN -0.276 nan 8.300 nan 0.000 0.476 124 T N 0.267 114.941 114.554 0.200 0.000 2.851 124 T HA 0.087 4.437 4.350 0.001 0.000 0.262 124 T C 0.294 175.048 174.700 0.089 0.000 1.043 124 T CA 0.908 63.075 62.100 0.112 0.000 1.140 124 T CB 0.029 68.954 68.868 0.096 0.000 0.872 124 T HN 0.251 nan 8.240 nan 0.000 0.446 125 V N 0.828 120.800 119.914 0.097 0.000 3.012 125 V HA 0.501 4.622 4.120 0.001 0.000 0.307 125 V C -1.037 175.057 176.094 0.001 0.000 1.166 125 V CA -1.062 61.259 62.300 0.034 0.000 0.974 125 V CB 2.650 34.473 31.823 -0.001 0.000 1.040 125 V HN -0.043 nan 8.190 nan 0.000 0.428 126 V N 3.638 123.524 119.914 -0.047 0.000 2.409 126 V HA 0.512 4.633 4.120 0.001 0.000 0.291 126 V C -0.405 175.620 176.094 -0.115 0.000 1.020 126 V CA -0.558 61.658 62.300 -0.139 0.000 0.848 126 V CB 1.951 33.654 31.823 -0.201 0.000 0.990 126 V HN 0.621 nan 8.190 nan 0.000 0.430 127 V N 4.511 124.357 119.914 -0.114 0.000 2.370 127 V HA 0.775 4.896 4.120 0.001 0.000 0.283 127 V C 0.349 176.404 176.094 -0.066 0.000 1.023 127 V CA -0.400 61.859 62.300 -0.068 0.000 0.857 127 V CB 1.523 33.316 31.823 -0.051 0.000 0.985 127 V HN 0.959 nan 8.190 nan 0.000 0.443 128 A N 3.860 126.656 122.820 -0.040 0.000 2.318 128 A HA 0.858 5.179 4.320 0.001 0.000 0.317 128 A C 0.093 177.692 177.584 0.025 0.000 1.159 128 A CA -0.424 51.600 52.037 -0.021 0.000 0.799 128 A CB 1.331 20.308 19.000 -0.038 0.000 1.194 128 A HN 0.884 nan 8.150 nan 0.000 0.479 129 T N 0.238 114.812 114.554 0.032 0.000 2.887 129 T HA 0.535 4.885 4.350 0.001 0.000 0.288 129 T C -0.478 174.256 174.700 0.057 0.000 1.021 129 T CA -0.583 61.547 62.100 0.051 0.000 1.000 129 T CB 1.284 70.174 68.868 0.037 0.000 1.034 129 T HN 0.799 nan 8.240 nan 0.000 0.467 130 Q N 1.049 120.888 119.800 0.065 0.000 2.447 130 Q HA -0.136 4.205 4.340 0.001 0.000 0.348 130 Q C -0.779 175.261 176.000 0.066 0.000 1.421 130 Q CA 0.600 56.436 55.803 0.055 0.000 0.978 130 Q CB -2.041 26.723 28.738 0.042 0.000 1.191 130 Q HN 0.738 nan 8.270 nan 0.000 0.371 131 L N 0.494 121.757 121.223 0.067 0.000 2.334 131 L HA 0.562 4.902 4.340 0.001 0.000 0.273 131 L C -1.822 175.094 176.870 0.077 0.000 1.013 131 L CA -2.147 52.735 54.840 0.071 0.000 0.816 131 L CB 1.346 43.438 42.059 0.055 0.000 1.278 131 L HN -0.042 nan 8.230 nan 0.000 0.431 132 P HA 0.058 nan 4.420 nan 0.000 0.274 132 P C 0.065 177.414 177.300 0.081 0.000 1.231 132 P CA -0.536 62.643 63.100 0.131 0.000 0.790 132 P CB 0.502 32.316 31.700 0.189 0.000 0.951 133 E N 0.208 120.457 120.200 0.082 0.000 2.510 133 E HA -0.138 4.212 4.350 0.001 0.000 0.202 133 E C 0.786 177.386 176.600 0.000 0.000 1.072 133 E CA 1.009 57.427 56.400 0.031 0.000 0.883 133 E CB -0.256 29.515 29.700 0.118 0.000 0.818 133 E HN 0.385 nan 8.360 nan 0.000 0.548 134 S N 0.312 116.035 115.700 0.038 0.000 2.339 134 S HA -0.073 4.398 4.470 0.001 0.000 0.213 134 S C 2.095 176.706 174.600 0.018 0.000 1.033 134 S CA 0.947 59.163 58.200 0.026 0.000 0.950 134 S CB -0.655 62.571 63.200 0.042 0.000 0.893 134 S HN 0.215 nan 8.310 nan 0.000 0.492 135 T N 2.582 117.160 114.554 0.039 0.000 2.759 135 T HA -0.039 4.312 4.350 0.001 0.000 0.269 135 T C 2.072 176.781 174.700 0.014 0.000 1.042 135 T CA 1.548 63.673 62.100 0.041 0.000 1.140 135 T CB -0.602 68.302 68.868 0.060 0.000 0.864 135 T HN 0.411 nan 8.240 nan 0.000 0.455 136 S N 1.223 116.920 115.700 -0.005 0.000 2.361 136 S HA -0.006 4.465 4.470 0.001 0.000 0.214 136 S C 2.037 176.587 174.600 -0.082 0.000 1.034 136 S CA 1.047 59.222 58.200 -0.040 0.000 1.025 136 S CB -0.633 62.532 63.200 -0.058 0.000 0.996 136 S HN 0.337 nan 8.310 nan 0.000 0.422 137 L N 1.191 122.323 121.223 -0.153 0.000 2.051 137 L HA -0.221 4.119 4.340 0.001 0.000 0.214 137 L C 2.731 179.557 176.870 -0.074 0.000 1.076 137 L CA 1.601 56.332 54.840 -0.181 0.000 0.758 137 L CB -0.449 41.482 42.059 -0.212 0.000 0.890 137 L HN 0.281 nan 8.230 nan 0.000 0.433 138 R N 0.080 120.563 120.500 -0.028 0.000 2.070 138 R HA -0.207 4.133 4.340 0.001 0.000 0.233 138 R C 2.373 178.695 176.300 0.036 0.000 1.137 138 R CA 1.719 57.828 56.100 0.015 0.000 0.945 138 R CB -0.369 29.952 30.300 0.036 0.000 0.845 138 R HN 0.206 nan 8.270 nan 0.000 0.430 139 L N 0.916 122.155 121.223 0.026 0.000 2.042 139 L HA -0.116 4.225 4.340 0.001 0.000 0.210 139 L C 2.315 179.198 176.870 0.021 0.000 1.076 139 L CA 2.162 57.015 54.840 0.022 0.000 0.749 139 L CB -0.570 41.466 42.059 -0.038 0.000 0.893 139 L HN 0.298 nan 8.230 nan 0.000 0.432 140 A N -0.923 121.902 122.820 0.008 0.000 1.933 140 A HA -0.276 4.045 4.320 0.001 0.000 0.218 140 A C 2.053 179.701 177.584 0.106 0.000 1.175 140 A CA 1.840 53.902 52.037 0.041 0.000 0.628 140 A CB -0.929 18.064 19.000 -0.011 0.000 0.814 140 A HN 0.583 nan 8.150 nan 0.000 0.444 141 D N -0.211 120.231 120.400 0.069 0.000 2.087 141 D HA -0.139 4.502 4.640 0.001 0.000 0.192 141 D C 1.921 178.329 176.300 0.180 0.000 0.993 141 D CA 1.826 55.888 54.000 0.103 0.000 0.828 141 D CB -0.343 40.492 40.800 0.059 0.000 0.968 141 D HN 0.139 nan 8.370 nan 0.000 0.448 142 V N 0.836 120.842 119.914 0.152 0.000 2.219 142 V HA -0.284 3.836 4.120 0.001 0.000 0.248 142 V C 2.823 179.029 176.094 0.186 0.000 1.053 142 V CA 1.889 64.292 62.300 0.173 0.000 1.009 142 V CB -0.767 31.177 31.823 0.201 0.000 0.636 142 V HN 0.319 nan 8.190 nan 0.000 0.445 143 L N -0.838 120.488 121.223 0.172 0.000 2.079 143 L HA -0.242 4.099 4.340 0.001 0.000 0.210 143 L C 2.456 179.420 176.870 0.157 0.000 1.081 143 L CA 2.118 57.045 54.840 0.145 0.000 0.752 143 L CB -0.698 41.410 42.059 0.081 0.000 0.896 143 L HN 0.633 nan 8.230 nan 0.000 0.433 144 W N 1.904 123.222 121.300 0.030 0.000 2.355 144 W HA -0.215 4.445 4.660 0.001 0.000 0.309 144 W C 2.143 178.684 176.519 0.037 0.000 1.206 144 W CA 1.600 58.961 57.345 0.028 0.000 1.284 144 W CB -0.377 29.098 29.460 0.024 0.000 1.145 144 W HN 0.261 nan 8.180 nan 0.000 0.502 145 N N 0.389 119.234 118.700 0.242 0.000 2.309 145 N HA -0.114 4.627 4.740 0.001 0.000 0.182 145 N C 1.535 177.055 175.510 0.017 0.000 1.018 145 N CA 1.624 54.747 53.050 0.122 0.000 0.876 145 N CB -0.447 38.152 38.487 0.186 0.000 0.972 145 N HN 0.026 nan 8.380 nan 0.000 0.434 146 S N 0.739 116.458 115.700 0.032 0.000 2.631 146 S HA 0.075 4.545 4.470 0.001 0.000 0.217 146 S C 0.138 174.717 174.600 -0.036 0.000 0.958 146 S CA -0.111 58.099 58.200 0.017 0.000 0.920 146 S CB 0.297 63.535 63.200 0.064 0.000 0.776 146 S HN 0.180 nan 8.310 nan 0.000 0.517 147 Q N 0.085 119.815 119.800 -0.117 0.000 2.478 147 Q HA -0.151 4.190 4.340 0.001 0.000 0.286 147 Q C -0.636 175.310 176.000 -0.089 0.000 1.299 147 Q CA 0.732 56.432 55.803 -0.171 0.000 0.826 147 Q CB -1.950 26.710 28.738 -0.129 0.000 1.199 147 Q HN 0.559 nan 8.270 nan 0.000 0.451 148 I N 1.030 121.574 120.570 -0.045 0.000 2.378 148 I HA 0.267 4.437 4.170 0.001 0.000 0.291 148 I C -1.984 174.134 176.117 0.003 0.000 0.992 148 I CA -2.292 59.011 61.300 0.005 0.000 1.154 148 I CB 1.826 39.863 38.000 0.061 0.000 1.315 148 I HN -0.214 nan 8.210 nan 0.000 0.448 149 P HA 0.006 nan 4.420 nan 0.000 0.258 149 P C -1.003 176.288 177.300 -0.015 0.000 1.187 149 P CA 0.056 63.145 63.100 -0.018 0.000 0.767 149 P CB 0.240 31.926 31.700 -0.023 0.000 0.770 150 L N 5.842 127.060 121.223 -0.009 0.000 2.356 150 L HA 0.637 4.978 4.340 0.001 0.000 0.277 150 L C -1.537 175.326 176.870 -0.012 0.000 0.996 150 L CA -0.828 54.004 54.840 -0.013 0.000 0.822 150 L CB 1.735 43.803 42.059 0.014 0.000 1.256 150 L HN 0.108 nan 8.230 nan 0.000 0.413 151 L N 6.420 127.636 121.223 -0.013 0.000 2.372 151 L HA 0.611 4.952 4.340 0.001 0.000 0.273 151 L C -1.178 175.712 176.870 0.034 0.000 0.989 151 L CA -0.094 54.756 54.840 0.017 0.000 0.841 151 L CB 1.316 43.388 42.059 0.020 0.000 1.225 151 L HN 0.552 nan 8.230 nan 0.000 0.414 152 I N 4.622 125.232 120.570 0.068 0.000 2.321 152 I HA 0.379 4.549 4.170 0.001 0.000 0.291 152 I C -0.691 175.514 176.117 0.146 0.000 0.998 152 I CA -0.348 61.020 61.300 0.113 0.000 1.227 152 I CB 1.042 39.152 38.000 0.183 0.000 1.368 152 I HN 0.542 nan 8.210 nan 0.000 0.466 153 C N 6.276 125.664 119.300 0.147 0.000 2.369 153 C HA 0.618 5.079 4.460 0.001 0.000 0.322 153 C C 0.066 175.178 174.990 0.203 0.000 1.258 153 C CA -0.765 58.352 59.018 0.164 0.000 1.487 153 C CB 1.336 29.129 27.740 0.088 0.000 2.165 153 C HN 0.655 nan 8.230 nan 0.000 0.483 154 R N 1.303 121.976 120.500 0.288 0.000 2.621 154 R HA 0.644 4.985 4.340 0.001 0.000 0.292 154 R C -1.179 175.226 176.300 0.175 0.000 0.969 154 R CA -0.173 56.059 56.100 0.221 0.000 0.887 154 R CB 2.189 32.628 30.300 0.231 0.000 1.180 154 R HN 0.776 nan 8.270 nan 0.000 0.450 155 T N 3.869 118.481 114.554 0.096 0.000 3.064 155 T HA 0.228 4.578 4.350 0.001 0.000 0.367 155 T C -1.221 173.469 174.700 -0.018 0.000 1.202 155 T CA -0.300 61.823 62.100 0.038 0.000 1.133 155 T CB -0.034 68.829 68.868 -0.008 0.000 1.074 155 T HN 0.304 nan 8.240 nan 0.000 0.519 156 Y N 3.036 123.242 120.300 -0.157 0.000 2.593 156 Y HA 0.492 5.043 4.550 0.001 0.000 0.331 156 Y C 1.172 176.770 175.900 -0.503 0.000 0.986 156 Y CA 0.658 58.613 58.100 -0.241 0.000 1.262 156 Y CB 0.068 38.458 38.460 -0.117 0.000 1.098 156 Y HN 0.894 nan 8.280 nan 0.000 0.506 157 G N 3.600 111.922 108.800 -0.796 0.000 2.675 157 G HA2 -0.344 3.617 3.960 0.001 0.000 0.312 157 G HA3 -0.344 3.617 3.960 0.001 0.000 0.312 157 G C 0.453 174.815 174.900 -0.895 0.000 1.186 157 G CA 0.612 45.053 45.100 -1.098 0.000 0.965 157 G HN 0.596 nan 8.290 nan 0.000 0.548 158 L N 0.954 121.446 121.223 -1.219 0.000 2.872 158 L HA 0.444 4.785 4.340 0.001 0.000 0.245 158 L C 0.095 176.665 176.870 -0.499 0.000 1.211 158 L CA -0.268 54.198 54.840 -0.625 0.000 1.013 158 L CB 0.706 42.500 42.059 -0.441 0.000 1.326 158 L HN 0.237 nan 8.230 nan 0.000 0.525 159 V N -0.400 119.260 119.914 -0.423 0.000 2.667 159 V HA 0.701 4.821 4.120 0.001 0.000 0.308 159 V C 0.398 176.483 176.094 -0.014 0.000 1.048 159 V CA -0.625 61.561 62.300 -0.189 0.000 0.928 159 V CB 1.829 33.626 31.823 -0.043 0.000 1.004 159 V HN 0.220 nan 8.190 nan 0.000 0.444 160 G N 1.964 110.824 108.800 0.101 0.000 2.530 160 G HA2 0.603 4.564 3.960 0.001 0.000 0.316 160 G HA3 0.603 4.564 3.960 0.001 0.000 0.316 160 G C -1.948 173.118 174.900 0.276 0.000 1.298 160 G CA -0.400 44.836 45.100 0.227 0.000 0.948 160 G HN 0.584 nan 8.290 nan 0.000 0.486 161 Y N 1.902 122.293 120.300 0.152 0.000 2.462 161 Y HA 0.789 5.340 4.550 0.001 0.000 0.346 161 Y C -0.667 175.356 175.900 0.206 0.000 0.976 161 Y CA -1.501 56.704 58.100 0.175 0.000 1.044 161 Y CB 2.565 41.111 38.460 0.143 0.000 1.230 161 Y HN 0.527 nan 8.280 nan 0.000 0.455 162 M N 6.726 126.061 119.600 -0.442 0.000 2.255 162 M HA 0.430 4.911 4.480 0.001 0.000 0.275 162 M C -1.856 174.303 176.300 -0.235 0.000 1.050 162 M CA -0.559 54.617 55.300 -0.207 0.000 0.978 162 M CB 1.238 33.858 32.600 0.033 0.000 1.761 162 M HN 0.603 nan 8.290 nan 0.000 0.479 163 R N 3.753 124.150 120.500 -0.171 0.000 2.439 163 R HA 0.580 4.921 4.340 0.001 0.000 0.310 163 R C -1.835 174.473 176.300 0.015 0.000 0.955 163 R CA -0.681 55.394 56.100 -0.042 0.000 0.853 163 R CB 1.607 31.934 30.300 0.044 0.000 1.171 163 R HN 0.772 nan 8.270 nan 0.000 0.449 164 I N 5.299 125.784 120.570 -0.141 0.000 2.354 164 I HA 0.443 4.614 4.170 0.001 0.000 0.292 164 I C -0.752 175.276 176.117 -0.148 0.000 0.989 164 I CA -0.688 60.460 61.300 -0.253 0.000 1.188 164 I CB 0.979 38.513 38.000 -0.777 0.000 1.342 164 I HN 0.549 nan 8.210 nan 0.000 0.457 165 I N 8.873 129.416 120.570 -0.045 0.000 2.466 165 I HA 0.438 4.609 4.170 0.001 0.000 0.279 165 I C -0.916 175.251 176.117 0.082 0.000 1.033 165 I CA -0.175 61.169 61.300 0.073 0.000 1.123 165 I CB 0.723 38.815 38.000 0.153 0.000 1.237 165 I HN 0.365 nan 8.210 nan 0.000 0.460 166 I N 5.524 126.132 120.570 0.063 0.000 2.534 166 I HA 0.246 4.417 4.170 0.001 0.000 0.288 166 I C 0.922 177.049 176.117 0.016 0.000 1.077 166 I CA -0.690 60.607 61.300 -0.004 0.000 1.051 166 I CB 2.656 40.618 38.000 -0.063 0.000 1.234 166 I HN 0.529 nan 8.210 nan 0.000 0.425 167 K N 3.640 123.936 120.400 -0.173 0.000 2.032 167 K HA -0.045 4.276 4.320 0.001 0.000 0.209 167 K C 0.464 177.055 176.600 -0.015 0.000 1.048 167 K CA 1.647 57.797 56.287 -0.228 0.000 0.927 167 K CB 0.354 32.504 32.500 -0.584 0.000 0.712 167 K HN 0.639 nan 8.250 nan 0.000 0.441 168 E N -0.392 119.804 120.200 -0.006 0.000 2.311 168 E HA 0.070 4.420 4.350 0.001 0.000 0.281 168 E C -1.974 174.674 176.600 0.081 0.000 0.905 168 E CA -0.507 55.935 56.400 0.071 0.000 0.778 168 E CB 1.149 30.921 29.700 0.120 0.000 1.240 168 E HN 0.201 nan 8.360 nan 0.000 0.410 169 H N 5.106 124.136 119.070 -0.067 0.000 2.887 169 H HA 0.407 4.963 4.556 0.001 0.000 0.300 169 H C -2.581 172.597 175.328 -0.249 0.000 1.038 169 H CA -1.795 54.172 56.048 -0.134 0.000 1.352 169 H CB 1.373 31.070 29.762 -0.108 0.000 1.473 169 H HN 0.179 nan 8.280 nan 0.000 0.503 170 P HA 0.240 nan 4.420 nan 0.000 0.304 170 P C -1.153 175.508 177.300 -1.065 0.000 1.360 170 P CA -0.688 61.743 63.100 -1.116 0.000 0.869 170 P CB 2.247 32.913 31.700 -1.722 0.000 0.988 171 V N 4.160 123.597 119.914 -0.795 0.000 2.709 171 V HA 0.385 4.506 4.120 0.001 0.000 0.308 171 V C 0.406 176.347 176.094 -0.255 0.000 1.062 171 V CA -0.630 61.395 62.300 -0.459 0.000 0.901 171 V CB 1.703 33.370 31.823 -0.259 0.000 1.003 171 V HN 0.416 nan 8.190 nan 0.000 0.425 172 I N 2.786 123.276 120.570 -0.133 0.000 2.594 172 I HA 0.245 4.415 4.170 0.001 0.000 0.237 172 I C 1.470 177.551 176.117 -0.060 0.000 1.071 172 I CA 0.369 61.657 61.300 -0.021 0.000 1.427 172 I CB 0.171 38.177 38.000 0.009 0.000 1.218 172 I HN 0.794 nan 8.210 nan 0.000 0.444 173 E N 2.011 122.144 120.200 -0.113 0.000 1.842 173 E HA -0.021 4.330 4.350 0.001 0.000 0.278 173 E C 0.955 177.366 176.600 -0.314 0.000 1.171 173 E CA -0.102 56.153 56.400 -0.242 0.000 1.127 173 E CB 0.170 29.735 29.700 -0.225 0.000 1.100 173 E HN 0.345 nan 8.360 nan 0.000 0.456 174 S N 2.419 117.992 115.700 -0.212 0.000 2.603 174 S HA -0.089 4.382 4.470 0.001 0.000 0.220 174 S C 0.333 174.838 174.600 -0.157 0.000 0.967 174 S CA -0.195 57.925 58.200 -0.134 0.000 0.920 174 S CB -0.109 63.075 63.200 -0.027 0.000 0.773 174 S HN 0.652 nan 8.310 nan 0.000 0.529 175 H N 2.235 121.131 119.070 -0.289 0.000 2.604 175 H HA -0.062 4.495 4.556 0.001 0.000 0.324 175 H C -2.359 172.847 175.328 -0.204 0.000 1.068 175 H CA 0.835 56.707 56.048 -0.293 0.000 1.091 175 H CB -1.783 27.696 29.762 -0.472 0.000 1.611 175 H HN 0.527 nan 8.280 nan 0.000 0.387 176 P HA 0.041 nan 4.420 nan 0.000 0.271 176 P C 0.776 177.984 177.300 -0.152 0.000 1.216 176 P CA -0.229 62.716 63.100 -0.259 0.000 0.776 176 P CB 1.060 32.411 31.700 -0.581 0.000 0.881 177 D N 0.799 121.160 120.400 -0.064 0.000 2.117 177 D HA -0.032 4.609 4.640 0.001 0.000 0.198 177 D C 0.288 176.558 176.300 -0.050 0.000 0.982 177 D CA 1.560 55.543 54.000 -0.030 0.000 0.828 177 D CB 0.178 40.975 40.800 -0.005 0.000 0.967 177 D HN 0.378 nan 8.370 nan 0.000 0.464 178 N N -1.072 117.590 118.700 -0.064 0.000 2.331 178 N HA 0.619 5.359 4.740 0.001 0.000 0.280 178 N C -1.423 174.059 175.510 -0.046 0.000 1.155 178 N CA -0.396 52.628 53.050 -0.043 0.000 0.822 178 N CB 2.579 41.060 38.487 -0.010 0.000 1.619 178 N HN -0.007 nan 8.380 nan 0.000 0.476 179 A N 1.039 123.857 122.820 -0.003 0.000 2.612 179 A HA 0.564 4.885 4.320 0.001 0.000 0.293 179 A C -1.261 176.397 177.584 0.123 0.000 1.075 179 A CA -0.605 51.483 52.037 0.085 0.000 0.680 179 A CB 0.884 19.956 19.000 0.121 0.000 1.279 179 A HN 0.489 nan 8.150 nan 0.000 0.411 180 L N 1.761 123.076 121.223 0.152 0.000 2.426 180 L HA 0.261 4.601 4.340 0.001 0.000 0.271 180 L C 0.600 177.555 176.870 0.142 0.000 1.169 180 L CA -0.508 54.408 54.840 0.126 0.000 0.836 180 L CB 0.481 42.606 42.059 0.111 0.000 1.112 180 L HN 0.655 nan 8.230 nan 0.000 0.465 181 E N 1.216 121.491 120.200 0.125 0.000 2.392 181 E HA 0.002 4.353 4.350 0.001 0.000 0.256 181 E C -0.674 175.987 176.600 0.101 0.000 1.145 181 E CA -0.085 56.382 56.400 0.111 0.000 0.929 181 E CB 0.760 30.528 29.700 0.113 0.000 0.998 181 E HN 0.368 nan 8.360 nan 0.000 0.442 182 D N 1.576 122.021 120.400 0.074 0.000 2.736 182 D HA 0.148 4.788 4.640 0.001 0.000 0.293 182 D C 0.700 177.085 176.300 0.141 0.000 1.241 182 D CA -0.110 53.944 54.000 0.091 0.000 0.965 182 D CB -0.443 40.391 40.800 0.057 0.000 0.992 182 D HN 0.253 nan 8.370 nan 0.000 0.510 183 L N 0.827 122.145 121.223 0.159 0.000 2.291 183 L HA 0.079 4.419 4.340 0.001 0.000 0.214 183 L C 1.006 178.117 176.870 0.401 0.000 1.120 183 L CA -0.015 54.969 54.840 0.240 0.000 0.799 183 L CB -0.209 41.965 42.059 0.191 0.000 0.925 183 L HN 0.165 nan 8.230 nan 0.000 0.446 184 R N -0.109 120.571 120.500 0.299 0.000 3.641 184 R HA -0.185 4.155 4.340 0.001 0.000 0.286 184 R C 0.994 177.438 176.300 0.241 0.000 1.153 184 R CA 0.477 56.746 56.100 0.282 0.000 0.775 184 R CB -2.373 28.164 30.300 0.394 0.000 1.215 184 R HN 0.416 nan 8.270 nan 0.000 0.474 185 L N 0.206 121.556 121.223 0.212 0.000 2.240 185 L HA -0.121 4.219 4.340 0.001 0.000 0.211 185 L C 2.242 179.174 176.870 0.104 0.000 1.106 185 L CA 1.705 56.645 54.840 0.167 0.000 0.793 185 L CB -0.311 41.827 42.059 0.131 0.000 0.927 185 L HN 0.249 nan 8.230 nan 0.000 0.446 186 D N 0.229 120.689 120.400 0.100 0.000 2.323 186 D HA -0.135 4.506 4.640 0.001 0.000 0.209 186 D C 0.585 176.932 176.300 0.078 0.000 0.973 186 D CA 0.651 54.696 54.000 0.074 0.000 0.874 186 D CB 0.228 41.071 40.800 0.071 0.000 0.930 186 D HN 0.236 nan 8.370 nan 0.000 0.521 187 K N 0.879 121.339 120.400 0.099 0.000 3.157 187 K HA 0.303 4.624 4.320 0.001 0.000 0.173 187 K C -2.798 173.878 176.600 0.127 0.000 1.127 187 K CA -1.321 55.024 56.287 0.097 0.000 0.849 187 K CB 2.087 34.647 32.500 0.098 0.000 1.038 187 K HN -0.025 nan 8.250 nan 0.000 0.603 188 P HA -0.044 nan 4.420 nan 0.000 0.268 188 P C -0.675 176.643 177.300 0.031 0.000 1.208 188 P CA 0.049 63.157 63.100 0.014 0.000 0.777 188 P CB 0.304 31.988 31.700 -0.026 0.000 0.875 189 F N -0.212 119.703 119.950 -0.059 0.000 2.507 189 F HA 0.623 5.151 4.527 0.001 0.000 0.327 189 F C -1.862 173.880 175.800 -0.096 0.000 1.068 189 F CA -3.079 54.879 58.000 -0.070 0.000 0.965 189 F CB -0.419 38.535 39.000 -0.076 0.000 1.192 189 F HN 0.197 nan 8.300 nan 0.000 0.476 190 P HA -0.302 nan 4.420 nan 0.000 0.218 190 P C 0.996 178.204 177.300 -0.155 0.000 1.132 190 P CA 2.765 65.838 63.100 -0.046 0.000 0.968 190 P CB 0.093 31.812 31.700 0.031 0.000 0.783 191 E N -1.386 118.750 120.200 -0.107 0.000 2.160 191 E HA -0.163 4.187 4.350 0.001 0.000 0.195 191 E C 1.884 178.220 176.600 -0.439 0.000 0.991 191 E CA 0.764 57.059 56.400 -0.174 0.000 0.810 191 E CB -1.055 28.634 29.700 -0.018 0.000 0.742 191 E HN 0.152 nan 8.360 nan 0.000 0.466 192 L N 0.777 121.441 121.223 -0.933 0.000 2.027 192 L HA -0.088 4.252 4.340 0.001 0.000 0.206 192 L C 2.290 178.620 176.870 -0.900 0.000 1.074 192 L CA 1.829 55.935 54.840 -1.224 0.000 0.745 192 L CB -0.311 40.601 42.059 -1.911 0.000 0.898 192 L HN -0.040 nan 8.230 nan 0.000 0.433 193 R N -0.502 119.676 120.500 -0.537 0.000 2.096 193 R HA -0.162 4.179 4.340 0.001 0.000 0.235 193 R C 2.114 178.321 176.300 -0.155 0.000 1.127 193 R CA 1.706 57.676 56.100 -0.217 0.000 0.968 193 R CB -0.154 30.072 30.300 -0.123 0.000 0.861 193 R HN 0.546 nan 8.270 nan 0.000 0.440 194 E N -1.124 118.968 120.200 -0.180 0.000 2.110 194 E HA -0.254 4.097 4.350 0.001 0.000 0.193 194 E C 1.841 178.380 176.600 -0.102 0.000 0.988 194 E CA 1.443 57.778 56.400 -0.109 0.000 0.804 194 E CB -0.222 29.420 29.700 -0.096 0.000 0.745 194 E HN 0.484 nan 8.360 nan 0.000 0.458 195 H N 0.254 119.158 119.070 -0.276 0.000 2.293 195 H HA -0.121 4.435 4.556 0.001 0.000 0.300 195 H C 1.741 177.074 175.328 0.007 0.000 1.082 195 H CA 1.861 57.777 56.048 -0.220 0.000 1.308 195 H CB -0.351 29.164 29.762 -0.412 0.000 1.375 195 H HN 0.116 nan 8.280 nan 0.000 0.495 196 F N 0.368 120.327 119.950 0.014 0.000 2.126 196 F HA -0.254 4.274 4.527 0.001 0.000 0.299 196 F C 2.810 178.628 175.800 0.030 0.000 1.096 196 F CA 1.014 59.029 58.000 0.026 0.000 1.255 196 F CB -0.292 38.698 39.000 -0.016 0.000 0.997 196 F HN 0.261 nan 8.300 nan 0.000 0.479 197 Q N 0.310 120.208 119.800 0.162 0.000 2.152 197 Q HA -0.216 4.124 4.340 0.001 0.000 0.206 197 Q C 2.262 178.276 176.000 0.023 0.000 0.985 197 Q CA 2.060 57.905 55.803 0.070 0.000 0.863 197 Q CB -0.285 28.462 28.738 0.016 0.000 0.904 197 Q HN 0.430 nan 8.270 nan 0.000 0.422 198 S N -0.987 114.685 115.700 -0.047 0.000 2.537 198 S HA -0.127 4.343 4.470 0.001 0.000 0.240 198 S C 0.073 174.558 174.600 -0.192 0.000 0.981 198 S CA 0.309 58.416 58.200 -0.154 0.000 0.948 198 S CB -0.172 62.863 63.200 -0.274 0.000 0.759 198 S HN 0.217 nan 8.310 nan 0.000 0.531 199 Y N 1.617 121.872 120.300 -0.074 0.000 2.326 199 Y HA 0.506 5.056 4.550 0.001 0.000 0.337 199 Y C -0.030 175.869 175.900 -0.002 0.000 1.023 199 Y CA -0.977 57.104 58.100 -0.032 0.000 1.143 199 Y CB 1.030 39.481 38.460 -0.016 0.000 1.183 199 Y HN 0.065 nan 8.280 nan 0.000 0.485 200 D N 4.257 124.756 120.400 0.165 0.000 2.477 200 D HA 0.203 4.843 4.640 0.001 0.000 0.239 200 D C 0.428 176.869 176.300 0.236 0.000 1.102 200 D CA -0.072 54.017 54.000 0.148 0.000 0.901 200 D CB 0.562 41.402 40.800 0.067 0.000 1.026 200 D HN 0.619 nan 8.370 nan 0.000 0.515 201 L N 1.916 123.272 121.223 0.222 0.000 2.651 201 L HA -0.104 4.237 4.340 0.001 0.000 0.236 201 L C 0.585 177.633 176.870 0.298 0.000 1.173 201 L CA 1.016 56.027 54.840 0.284 0.000 0.843 201 L CB -0.032 42.150 42.059 0.205 0.000 0.964 201 L HN 0.293 nan 8.230 nan 0.000 0.454 202 D N -2.729 117.816 120.400 0.242 0.000 2.463 202 D HA -0.039 4.602 4.640 0.001 0.000 0.237 202 D C 1.063 177.354 176.300 -0.015 0.000 1.013 202 D CA 0.438 54.499 54.000 0.101 0.000 0.910 202 D CB 0.112 40.950 40.800 0.065 0.000 1.080 202 D HN 0.259 nan 8.370 nan 0.000 0.498 203 H N -0.082 119.024 119.070 0.060 0.000 2.660 203 H HA 0.350 4.907 4.556 0.001 0.000 0.310 203 H C -0.297 175.064 175.328 0.055 0.000 1.080 203 H CA 0.097 56.171 56.048 0.042 0.000 1.145 203 H CB -0.548 29.233 29.762 0.030 0.000 1.432 203 H HN 0.061 nan 8.280 nan 0.000 0.542 204 M N 0.518 120.212 119.600 0.157 0.000 2.336 204 M HA 0.236 4.716 4.480 0.001 0.000 0.342 204 M C 0.168 176.525 176.300 0.095 0.000 1.128 204 M CA -0.569 54.823 55.300 0.153 0.000 1.016 204 M CB 2.110 34.853 32.600 0.239 0.000 1.665 204 M HN 0.230 nan 8.290 nan 0.000 0.445 205 E N 1.563 121.808 120.200 0.075 0.000 2.425 205 E HA -0.035 4.316 4.350 0.001 0.000 0.258 205 E C 0.740 177.368 176.600 0.048 0.000 1.151 205 E CA 0.009 56.432 56.400 0.039 0.000 0.958 205 E CB 0.846 30.566 29.700 0.034 0.000 0.968 205 E HN 0.539 nan 8.360 nan 0.000 0.451 206 K N 1.929 122.336 120.400 0.011 0.000 2.052 206 K HA -0.309 4.012 4.320 0.001 0.000 0.215 206 K C 1.591 178.204 176.600 0.021 0.000 1.053 206 K CA 1.848 58.143 56.287 0.013 0.000 0.934 206 K CB 0.038 32.532 32.500 -0.010 0.000 0.717 206 K HN 0.302 nan 8.250 nan 0.000 0.450 207 K N 0.334 120.708 120.400 -0.043 0.000 2.002 207 K HA -0.162 4.159 4.320 0.001 0.000 0.209 207 K C 1.851 178.324 176.600 -0.212 0.000 1.048 207 K CA 2.174 58.336 56.287 -0.208 0.000 0.930 207 K CB -0.248 32.157 32.500 -0.159 0.000 0.714 207 K HN 0.249 nan 8.250 nan 0.000 0.438 208 D N -0.499 119.899 120.400 -0.003 0.000 2.221 208 D HA -0.176 4.464 4.640 0.001 0.000 0.204 208 D C 1.762 178.164 176.300 0.170 0.000 0.982 208 D CA 0.972 55.034 54.000 0.104 0.000 0.857 208 D CB -0.073 40.809 40.800 0.137 0.000 0.934 208 D HN 0.296 nan 8.370 nan 0.000 0.475 209 H N -0.357 118.765 119.070 0.086 0.000 2.428 209 H HA 0.100 4.656 4.556 0.001 0.000 0.296 209 H C 1.411 176.867 175.328 0.213 0.000 1.062 209 H CA 0.994 57.149 56.048 0.177 0.000 1.350 209 H CB 0.420 30.277 29.762 0.158 0.000 1.403 209 H HN 0.024 nan 8.280 nan 0.000 0.533 210 S N -0.671 115.111 115.700 0.136 0.000 2.496 210 S HA -0.006 4.465 4.470 0.001 0.000 0.224 210 S C 0.447 175.168 174.600 0.202 0.000 0.996 210 S CA 0.100 58.368 58.200 0.113 0.000 0.927 210 S CB -0.033 63.160 63.200 -0.012 0.000 0.774 210 S HN 0.602 nan 8.310 nan 0.000 0.524 211 H N 0.714 119.851 119.070 0.113 0.000 2.505 211 H HA 0.289 4.845 4.556 0.001 0.000 0.260 211 H C -0.706 174.672 175.328 0.084 0.000 1.232 211 H CA -0.390 55.713 56.048 0.091 0.000 0.991 211 H CB 0.373 30.194 29.762 0.098 0.000 1.729 211 H HN 0.028 nan 8.280 nan 0.000 0.561 212 T N 2.382 117.012 114.554 0.128 0.000 2.779 212 T HA 0.180 4.531 4.350 0.001 0.000 0.280 212 T C -2.478 172.185 174.700 -0.061 0.000 0.987 212 T CA -1.719 60.396 62.100 0.024 0.000 0.966 212 T CB 1.675 70.491 68.868 -0.088 0.000 0.933 212 T HN 0.103 nan 8.240 nan 0.000 0.442 213 P HA -0.074 nan 4.420 nan 0.000 0.259 213 P C 1.215 178.408 177.300 -0.179 0.000 1.163 213 P CA 0.002 63.042 63.100 -0.100 0.000 0.760 213 P CB 0.292 31.936 31.700 -0.093 0.000 0.762 214 W N 4.973 126.215 121.300 -0.097 0.000 2.364 214 W HA -0.134 4.526 4.660 0.001 0.000 0.281 214 W C 0.853 177.298 176.519 -0.124 0.000 1.219 214 W CA 0.593 57.841 57.345 -0.162 0.000 1.220 214 W CB -1.172 28.220 29.460 -0.115 0.000 1.127 214 W HN 0.245 nan 8.180 nan 0.000 0.556 215 I N 1.130 121.294 120.570 -0.676 0.000 2.394 215 I HA -0.263 3.908 4.170 0.001 0.000 0.251 215 I C 2.483 178.445 176.117 -0.258 0.000 1.136 215 I CA 1.132 62.074 61.300 -0.597 0.000 1.425 215 I CB -0.486 37.078 38.000 -0.727 0.000 1.079 215 I HN -0.170 nan 8.210 nan 0.000 0.425 216 V N 1.040 120.802 119.914 -0.253 0.000 2.283 216 V HA -0.246 3.874 4.120 0.001 0.000 0.243 216 V C 2.326 178.206 176.094 -0.357 0.000 1.039 216 V CA 1.567 63.659 62.300 -0.347 0.000 1.016 216 V CB -0.371 31.149 31.823 -0.505 0.000 0.650 216 V HN 0.272 nan 8.190 nan 0.000 0.449 217 I N 0.015 120.429 120.570 -0.259 0.000 2.113 217 I HA -0.362 3.808 4.170 0.001 0.000 0.242 217 I C 2.379 178.535 176.117 0.064 0.000 1.057 217 I CA 2.184 63.401 61.300 -0.139 0.000 1.314 217 I CB -0.398 37.414 38.000 -0.312 0.000 1.022 217 I HN 0.258 nan 8.210 nan 0.000 0.408 218 I N 0.453 121.073 120.570 0.084 0.000 2.286 218 I HA -0.282 3.889 4.170 0.001 0.000 0.248 218 I C 2.782 178.948 176.117 0.081 0.000 1.115 218 I CA 1.216 62.640 61.300 0.207 0.000 1.392 218 I CB -0.505 37.673 38.000 0.297 0.000 1.065 218 I HN 0.242 nan 8.210 nan 0.000 0.418 219 A N 0.955 123.614 122.820 -0.268 0.000 1.902 219 A HA -0.190 4.130 4.320 0.001 0.000 0.217 219 A C 2.345 179.747 177.584 -0.302 0.000 1.181 219 A CA 1.397 53.094 52.037 -0.567 0.000 0.623 219 A CB -0.299 17.581 19.000 -1.867 0.000 0.818 219 A HN 0.257 nan 8.150 nan 0.000 0.443 220 K N -0.899 119.356 120.400 -0.241 0.000 1.963 220 K HA -0.145 4.175 4.320 0.001 0.000 0.216 220 K C 1.849 178.421 176.600 -0.046 0.000 1.045 220 K CA 1.767 57.953 56.287 -0.167 0.000 0.954 220 K CB -0.968 31.370 32.500 -0.269 0.000 0.732 220 K HN 0.569 nan 8.250 nan 0.000 0.442 221 Y N 1.397 121.789 120.300 0.153 0.000 2.228 221 Y HA -0.226 4.324 4.550 0.001 0.000 0.285 221 Y C 2.350 178.534 175.900 0.473 0.000 1.178 221 Y CA 0.834 59.117 58.100 0.304 0.000 1.202 221 Y CB -0.484 38.101 38.460 0.208 0.000 0.974 221 Y HN 0.052 nan 8.280 nan 0.000 0.527 222 L N -0.188 121.317 121.223 0.471 0.000 2.191 222 L HA -0.181 4.159 4.340 0.001 0.000 0.212 222 L C 2.319 179.305 176.870 0.192 0.000 1.103 222 L CA 1.757 56.700 54.840 0.172 0.000 0.769 222 L CB -0.674 41.391 42.059 0.009 0.000 0.908 222 L HN 0.176 nan 8.230 nan 0.000 0.438 223 A N -1.528 121.386 122.820 0.157 0.000 1.970 223 A HA -0.192 4.129 4.320 0.001 0.000 0.216 223 A C 2.269 179.993 177.584 0.234 0.000 1.170 223 A CA 1.292 53.407 52.037 0.131 0.000 0.645 223 A CB -0.463 18.559 19.000 0.038 0.000 0.816 223 A HN 0.581 nan 8.150 nan 0.000 0.447 224 Q N -1.444 118.512 119.800 0.260 0.000 2.123 224 Q HA -0.159 4.181 4.340 0.001 0.000 0.199 224 Q C 1.907 178.119 176.000 0.354 0.000 0.966 224 Q CA 1.338 57.305 55.803 0.272 0.000 0.845 224 Q CB -0.221 28.683 28.738 0.276 0.000 0.907 224 Q HN 0.864 nan 8.270 nan 0.000 0.439 225 W N 0.074 121.514 121.300 0.233 0.000 2.678 225 W HA -0.163 4.497 4.660 0.001 0.000 0.256 225 W C 1.039 177.636 176.519 0.131 0.000 1.280 225 W CA 0.632 58.086 57.345 0.182 0.000 1.345 225 W CB -0.157 29.407 29.460 0.173 0.000 1.118 225 W HN 0.277 nan 8.180 nan 0.000 0.629 226 Y N 1.204 121.679 120.300 0.291 0.000 2.509 226 Y HA -0.112 4.439 4.550 0.001 0.000 0.293 226 Y C 2.415 178.367 175.900 0.086 0.000 1.133 226 Y CA 2.030 60.235 58.100 0.176 0.000 1.283 226 Y CB -0.205 38.330 38.460 0.126 0.000 1.001 226 Y HN -0.243 nan 8.280 nan 0.000 0.555 227 S N -0.280 115.536 115.700 0.193 0.000 2.324 227 S HA -0.096 4.374 4.470 0.001 0.000 0.210 227 S C 1.405 175.986 174.600 -0.030 0.000 1.027 227 S CA 0.790 59.042 58.200 0.086 0.000 0.945 227 S CB -0.285 62.984 63.200 0.114 0.000 0.908 227 S HN 0.286 nan 8.310 nan 0.000 0.496 228 E N 1.783 121.952 120.200 -0.052 0.000 2.499 228 E HA -0.067 4.284 4.350 0.001 0.000 0.207 228 E C 0.927 177.379 176.600 -0.247 0.000 1.175 228 E CA 0.930 57.246 56.400 -0.139 0.000 0.932 228 E CB -0.408 29.203 29.700 -0.150 0.000 0.906 228 E HN 0.617 nan 8.360 nan 0.000 0.556 229 T N -4.480 109.932 114.554 -0.236 0.000 3.186 229 T HA 0.112 4.463 4.350 0.001 0.000 0.292 229 T C 0.045 174.630 174.700 -0.192 0.000 0.915 229 T CA -0.240 61.712 62.100 -0.247 0.000 0.902 229 T CB -0.134 68.549 68.868 -0.309 0.000 1.192 229 T HN 0.089 nan 8.240 nan 0.000 0.563 230 N N 1.724 120.311 118.700 -0.188 0.000 2.727 230 N HA -0.160 4.581 4.740 0.001 0.000 0.251 230 N C 0.988 176.316 175.510 -0.304 0.000 1.040 230 N CA 1.309 54.245 53.050 -0.191 0.000 0.712 230 N CB -1.666 36.749 38.487 -0.120 0.000 0.912 230 N HN 1.317 nan 8.380 nan 0.000 0.545 231 G N -0.951 107.480 108.800 -0.616 0.000 2.148 231 G HA2 -0.285 3.676 3.960 0.001 0.000 0.203 231 G HA3 -0.285 3.676 3.960 0.001 0.000 0.203 231 G C 0.182 174.712 174.900 -0.618 0.000 0.993 231 G CA 0.262 44.775 45.100 -0.979 0.000 0.661 231 G HN 0.552 nan 8.290 nan 0.000 0.518 232 R N -0.701 119.599 120.500 -0.333 0.000 2.607 232 R HA 0.855 5.195 4.340 0.001 0.000 0.261 232 R C -0.029 176.388 176.300 0.195 0.000 1.051 232 R CA -0.532 55.555 56.100 -0.021 0.000 1.110 232 R CB 1.032 31.360 30.300 0.047 0.000 1.158 232 R HN 0.244 nan 8.270 nan 0.000 0.543 233 I N 1.366 122.055 120.570 0.199 0.000 2.571 233 I HA 0.257 4.428 4.170 0.001 0.000 0.289 233 I C -2.338 173.778 176.117 -0.001 0.000 1.115 233 I CA -2.507 58.851 61.300 0.096 0.000 1.045 233 I CB 2.296 40.333 38.000 0.062 0.000 1.238 233 I HN 0.291 nan 8.210 nan 0.000 0.424 234 P HA -0.068 nan 4.420 nan 0.000 0.265 234 P C -0.079 177.169 177.300 -0.088 0.000 1.167 234 P CA 0.444 63.395 63.100 -0.248 0.000 0.760 234 P CB 0.848 32.156 31.700 -0.653 0.000 0.783 235 K N 0.127 120.522 120.400 -0.009 0.000 2.711 235 K HA 0.099 4.419 4.320 0.001 0.000 0.197 235 K C 0.020 176.598 176.600 -0.037 0.000 1.535 235 K CA 0.188 56.468 56.287 -0.012 0.000 1.170 235 K CB 0.577 33.078 32.500 0.002 0.000 1.596 235 K HN 0.370 nan 8.250 nan 0.000 0.584 236 T N 0.274 114.820 114.554 -0.013 0.000 2.918 236 T HA 0.214 4.565 4.350 0.001 0.000 0.283 236 T C 0.682 175.415 174.700 0.055 0.000 1.001 236 T CA -0.447 61.613 62.100 -0.068 0.000 1.041 236 T CB 0.658 69.519 68.868 -0.012 0.000 1.028 236 T HN 0.102 nan 8.240 nan 0.000 0.511 237 Y N 0.113 120.431 120.300 0.029 0.000 2.333 237 Y HA -0.149 4.402 4.550 0.001 0.000 0.290 237 Y C 2.554 178.477 175.900 0.039 0.000 1.144 237 Y CA 0.463 58.578 58.100 0.024 0.000 1.228 237 Y CB -0.011 38.461 38.460 0.019 0.000 0.985 237 Y HN 0.461 nan 8.280 nan 0.000 0.542 238 K N 1.203 121.721 120.400 0.197 0.000 2.025 238 K HA -0.161 4.160 4.320 0.001 0.000 0.207 238 K C 1.507 178.213 176.600 0.177 0.000 1.049 238 K CA 1.752 58.133 56.287 0.155 0.000 0.933 238 K CB -0.185 32.387 32.500 0.121 0.000 0.714 238 K HN 0.317 nan 8.250 nan 0.000 0.438 239 E N 0.345 120.656 120.200 0.185 0.000 2.072 239 E HA -0.145 4.206 4.350 0.001 0.000 0.191 239 E C 2.040 178.704 176.600 0.107 0.000 0.985 239 E CA 1.053 57.604 56.400 0.251 0.000 0.801 239 E CB -0.097 29.756 29.700 0.255 0.000 0.750 239 E HN 0.271 nan 8.360 nan 0.000 0.452 240 K N 0.726 121.170 120.400 0.072 0.000 2.103 240 K HA -0.207 4.114 4.320 0.001 0.000 0.207 240 K C 2.163 178.808 176.600 0.075 0.000 1.048 240 K CA 1.277 57.590 56.287 0.044 0.000 0.930 240 K CB -0.024 32.541 32.500 0.109 0.000 0.716 240 K HN -0.059 nan 8.250 nan 0.000 0.444 241 E N 1.226 121.484 120.200 0.097 0.000 2.106 241 E HA -0.153 4.198 4.350 0.001 0.000 0.192 241 E C 1.347 178.005 176.600 0.096 0.000 0.984 241 E CA 1.325 57.769 56.400 0.073 0.000 0.806 241 E CB -0.062 29.683 29.700 0.075 0.000 0.750 241 E HN 0.172 nan 8.360 nan 0.000 0.458 242 D N -0.374 120.133 120.400 0.178 0.000 2.078 242 D HA -0.173 4.468 4.640 0.001 0.000 0.193 242 D C 1.693 178.147 176.300 0.257 0.000 0.990 242 D CA 0.940 55.108 54.000 0.280 0.000 0.827 242 D CB -0.591 40.537 40.800 0.547 0.000 0.975 242 D HN 0.215 nan 8.370 nan 0.000 0.451 243 F N 2.111 122.012 119.950 -0.083 0.000 2.154 243 F HA -0.198 4.330 4.527 0.001 0.000 0.301 243 F C 2.325 178.056 175.800 -0.116 0.000 1.087 243 F CA 1.428 59.270 58.000 -0.264 0.000 1.274 243 F CB -0.111 38.473 39.000 -0.693 0.000 1.009 243 F HN -0.166 nan 8.300 nan 0.000 0.485 244 R N -0.014 120.396 120.500 -0.150 0.000 2.091 244 R HA -0.202 4.139 4.340 0.001 0.000 0.238 244 R C 2.098 178.262 176.300 -0.227 0.000 1.136 244 R CA 1.736 57.703 56.100 -0.222 0.000 0.959 244 R CB -0.702 29.540 30.300 -0.097 0.000 0.856 244 R HN 0.340 nan 8.270 nan 0.000 0.437 245 D N 0.537 120.869 120.400 -0.113 0.000 2.144 245 D HA -0.136 4.505 4.640 0.001 0.000 0.200 245 D C 1.901 178.132 176.300 -0.114 0.000 0.978 245 D CA 0.735 54.687 54.000 -0.080 0.000 0.833 245 D CB 0.017 40.817 40.800 -0.000 0.000 0.961 245 D HN 0.028 nan 8.370 nan 0.000 0.470 246 L N 1.309 122.472 121.223 -0.099 0.000 2.043 246 L HA -0.179 4.162 4.340 0.001 0.000 0.212 246 L C 2.073 178.730 176.870 -0.354 0.000 1.075 246 L CA 1.506 56.295 54.840 -0.086 0.000 0.752 246 L CB -0.698 41.417 42.059 0.093 0.000 0.891 246 L HN 0.029 nan 8.230 nan 0.000 0.432 247 I N -0.893 119.322 120.570 -0.590 0.000 2.233 247 I HA -0.218 3.953 4.170 0.001 0.000 0.243 247 I C 2.603 178.505 176.117 -0.358 0.000 1.093 247 I CA 1.091 61.949 61.300 -0.737 0.000 1.380 247 I CB -0.470 37.156 38.000 -0.623 0.000 1.067 247 I HN 0.248 nan 8.210 nan 0.000 0.413 248 R N 1.009 121.365 120.500 -0.240 0.000 2.316 248 R HA -0.214 4.127 4.340 0.001 0.000 0.232 248 R C 1.874 178.077 176.300 -0.162 0.000 1.137 248 R CA 1.388 57.396 56.100 -0.153 0.000 1.012 248 R CB -0.013 30.220 30.300 -0.112 0.000 0.859 248 R HN 0.502 nan 8.270 nan 0.000 0.474 249 Q N -2.110 117.586 119.800 -0.174 0.000 2.384 249 Q HA 0.082 4.422 4.340 0.001 0.000 0.207 249 Q C 1.613 177.533 176.000 -0.132 0.000 0.904 249 Q CA 0.528 56.257 55.803 -0.123 0.000 0.933 249 Q CB 0.836 29.536 28.738 -0.063 0.000 1.077 249 Q HN 0.429 nan 8.270 nan 0.000 0.522 250 G N 0.625 109.307 108.800 -0.196 0.000 2.650 250 G HA2 -0.002 3.959 3.960 0.001 0.000 0.214 250 G HA3 -0.002 3.959 3.960 0.001 0.000 0.214 250 G C 0.572 175.253 174.900 -0.364 0.000 1.136 250 G CA -0.211 44.835 45.100 -0.091 0.000 0.789 250 G HN 0.184 nan 8.290 nan 0.000 0.536 251 I N 2.169 122.405 120.570 -0.557 0.000 2.664 251 I HA 0.007 4.178 4.170 0.001 0.000 0.284 251 I C 0.477 176.434 176.117 -0.267 0.000 1.154 251 I CA -0.179 60.785 61.300 -0.560 0.000 1.402 251 I CB 0.492 38.272 38.000 -0.367 0.000 1.395 251 I HN -0.053 nan 8.210 nan 0.000 0.545 252 L N 7.929 129.023 121.223 -0.214 0.000 2.559 252 L HA -0.006 4.334 4.340 0.001 0.000 0.282 252 L C 0.698 177.496 176.870 -0.119 0.000 1.232 252 L CA 0.362 55.086 54.840 -0.193 0.000 0.885 252 L CB -0.124 41.796 42.059 -0.232 0.000 1.131 252 L HN 0.656 nan 8.230 nan 0.000 0.498 253 K N 2.396 122.734 120.400 -0.102 0.000 2.166 253 K HA 0.416 4.736 4.320 0.001 0.000 0.245 253 K C -0.352 176.214 176.600 -0.056 0.000 0.967 253 K CA -1.028 55.217 56.287 -0.070 0.000 0.863 253 K CB 1.309 33.771 32.500 -0.062 0.000 1.107 253 K HN 0.576 nan 8.250 nan 0.000 0.436 254 N N 0.841 119.517 118.700 -0.041 0.000 2.531 254 N HA -0.014 4.726 4.740 0.001 0.000 0.301 254 N C 0.433 175.926 175.510 -0.028 0.000 1.310 254 N CA -0.156 52.875 53.050 -0.031 0.000 0.949 254 N CB 0.228 38.702 38.487 -0.022 0.000 1.111 254 N HN 0.794 nan 8.380 nan 0.000 0.565 255 E N -0.132 120.055 120.200 -0.022 0.000 2.077 255 E HA -0.158 4.193 4.350 0.001 0.000 0.193 255 E C 1.496 178.085 176.600 -0.018 0.000 0.989 255 E CA 1.587 57.975 56.400 -0.019 0.000 0.800 255 E CB -0.416 29.276 29.700 -0.015 0.000 0.746 255 E HN 0.618 nan 8.360 nan 0.000 0.452 256 N N -0.447 118.244 118.700 -0.016 0.000 2.244 256 N HA -0.041 4.700 4.740 0.001 0.000 0.183 256 N C 1.165 176.665 175.510 -0.018 0.000 1.016 256 N CA 1.156 54.197 53.050 -0.015 0.000 0.866 256 N CB 0.227 38.706 38.487 -0.013 0.000 0.980 256 N HN 0.315 nan 8.380 nan 0.000 0.430 257 G N -1.049 107.738 108.800 -0.022 0.000 2.205 257 G HA2 -0.121 3.840 3.960 0.001 0.000 0.180 257 G HA3 -0.121 3.840 3.960 0.001 0.000 0.180 257 G C 0.008 174.892 174.900 -0.027 0.000 1.004 257 G CA -0.138 44.947 45.100 -0.025 0.000 0.670 257 G HN 0.538 nan 8.290 nan 0.000 0.496 258 A N 1.469 124.274 122.820 -0.025 0.000 2.388 258 A HA 0.709 5.030 4.320 0.001 0.000 0.257 258 A C -1.475 176.090 177.584 -0.031 0.000 1.095 258 A CA -0.863 51.159 52.037 -0.025 0.000 0.791 258 A CB 0.338 19.327 19.000 -0.018 0.000 1.029 258 A HN 0.225 nan 8.150 nan 0.000 0.489 259 P HA 0.088 nan 4.420 nan 0.000 0.271 259 P C -0.511 176.770 177.300 -0.032 0.000 1.220 259 P CA 0.055 63.129 63.100 -0.044 0.000 0.768 259 P CB 0.709 32.381 31.700 -0.047 0.000 0.848 260 E N 2.345 122.525 120.200 -0.034 0.000 2.354 260 E HA 0.123 4.474 4.350 0.001 0.000 0.269 260 E C -0.440 176.161 176.600 0.002 0.000 1.036 260 E CA -0.118 56.275 56.400 -0.012 0.000 0.876 260 E CB 0.517 30.212 29.700 -0.009 0.000 1.009 260 E HN 0.391 nan 8.360 nan 0.000 0.416 261 D N 2.242 122.654 120.400 0.020 0.000 2.339 261 D HA 0.105 4.746 4.640 0.001 0.000 0.256 261 D C -0.436 175.906 176.300 0.070 0.000 1.214 261 D CA 0.463 54.484 54.000 0.035 0.000 0.877 261 D CB 0.393 41.213 40.800 0.032 0.000 1.111 261 D HN 0.174 nan 8.370 nan 0.000 0.478 262 E N 2.096 122.353 120.200 0.095 0.000 2.518 262 E HA 0.090 4.440 4.350 0.001 0.000 0.240 262 E C 0.125 176.833 176.600 0.181 0.000 0.996 262 E CA -0.198 56.304 56.400 0.170 0.000 0.768 262 E CB 1.161 31.013 29.700 0.253 0.000 1.329 262 E HN 0.348 nan 8.360 nan 0.000 0.408 263 E N 1.002 121.283 120.200 0.134 0.000 2.401 263 E HA -0.210 4.141 4.350 0.001 0.000 0.199 263 E C 1.482 178.152 176.600 0.116 0.000 1.023 263 E CA 0.609 57.070 56.400 0.100 0.000 0.859 263 E CB 0.045 29.791 29.700 0.076 0.000 0.780 263 E HN 0.322 nan 8.360 nan 0.000 0.523 264 N N 0.103 118.901 118.700 0.163 0.000 2.013 264 N HA -0.186 4.555 4.740 0.001 0.000 0.195 264 N C 1.144 176.658 175.510 0.007 0.000 1.051 264 N CA 1.462 54.574 53.050 0.103 0.000 0.851 264 N CB -0.140 38.432 38.487 0.140 0.000 1.044 264 N HN 0.056 nan 8.380 nan 0.000 0.422 265 F N 0.452 120.411 119.950 0.015 0.000 2.259 265 F HA 0.069 4.597 4.527 0.001 0.000 0.298 265 F C 2.382 178.147 175.800 -0.058 0.000 1.088 265 F CA 0.663 58.648 58.000 -0.025 0.000 1.358 265 F CB -0.454 38.515 39.000 -0.051 0.000 1.040 265 F HN 0.120 nan 8.300 nan 0.000 0.505 266 E N 0.590 120.860 120.200 0.117 0.000 2.110 266 E HA -0.190 4.160 4.350 0.001 0.000 0.193 266 E C 1.960 178.514 176.600 -0.076 0.000 0.988 266 E CA 1.373 57.782 56.400 0.014 0.000 0.804 266 E CB -0.177 29.533 29.700 0.017 0.000 0.745 266 E HN 0.413 nan 8.360 nan 0.000 0.458 267 E N -0.522 119.622 120.200 -0.092 0.000 2.150 267 E HA -0.145 4.206 4.350 0.001 0.000 0.193 267 E C 1.978 178.298 176.600 -0.468 0.000 0.985 267 E CA 0.686 56.926 56.400 -0.266 0.000 0.814 267 E CB -0.099 29.492 29.700 -0.182 0.000 0.752 267 E HN 0.318 nan 8.360 nan 0.000 0.466 268 A N 1.804 124.479 122.820 -0.243 0.000 1.877 268 A HA -0.182 4.138 4.320 0.001 0.000 0.216 268 A C 2.151 179.593 177.584 -0.236 0.000 1.186 268 A CA 1.055 52.971 52.037 -0.201 0.000 0.620 268 A CB -0.451 18.494 19.000 -0.092 0.000 0.822 268 A HN 0.095 nan 8.150 nan 0.000 0.443 269 I N 0.054 120.517 120.570 -0.178 0.000 2.118 269 I HA -0.280 3.891 4.170 0.001 0.000 0.241 269 I C 2.287 178.294 176.117 -0.184 0.000 1.070 269 I CA 2.008 63.210 61.300 -0.164 0.000 1.327 269 I CB -1.433 36.497 38.000 -0.117 0.000 1.034 269 I HN 0.361 nan 8.210 nan 0.000 0.405 270 K N 0.513 120.781 120.400 -0.220 0.000 2.097 270 K HA -0.089 4.232 4.320 0.001 0.000 0.205 270 K C 1.635 178.061 176.600 -0.291 0.000 1.050 270 K CA 1.015 57.166 56.287 -0.227 0.000 0.938 270 K CB -0.128 32.244 32.500 -0.213 0.000 0.718 270 K HN 0.369 nan 8.250 nan 0.000 0.442 271 N N 0.662 119.072 118.700 -0.483 0.000 2.461 271 N HA -0.042 4.699 4.740 0.001 0.000 0.188 271 N C 1.288 176.609 175.510 -0.314 0.000 1.134 271 N CA 0.303 53.014 53.050 -0.564 0.000 0.878 271 N CB 0.470 38.150 38.487 -1.346 0.000 0.972 271 N HN -0.038 nan 8.380 nan 0.000 0.456 272 V N 1.444 121.242 119.914 -0.193 0.000 2.515 272 V HA -0.201 3.919 4.120 0.001 0.000 0.250 272 V C 2.083 178.164 176.094 -0.022 0.000 1.058 272 V CA 1.281 63.562 62.300 -0.032 0.000 1.064 272 V CB -0.583 31.257 31.823 0.028 0.000 0.675 272 V HN 0.342 nan 8.190 nan 0.000 0.461 273 N N 0.470 119.132 118.700 -0.064 0.000 2.513 273 N HA -0.160 4.580 4.740 0.001 0.000 0.187 273 N C 1.409 176.913 175.510 -0.011 0.000 1.056 273 N CA 2.000 55.025 53.050 -0.042 0.000 0.907 273 N CB 0.047 38.485 38.487 -0.082 0.000 0.954 273 N HN 0.681 nan 8.380 nan 0.000 0.445 274 T N -5.855 108.692 114.554 -0.011 0.000 3.098 274 T HA 0.393 4.743 4.350 0.001 0.000 0.256 274 T C 1.769 176.510 174.700 0.068 0.000 0.921 274 T CA 0.248 62.366 62.100 0.029 0.000 0.916 274 T CB -0.793 68.090 68.868 0.025 0.000 1.246 274 T HN 0.048 nan 8.240 nan 0.000 0.511 275 A N 2.178 125.044 122.820 0.077 0.000 1.948 275 A HA 0.118 4.438 4.320 0.001 0.000 0.220 275 A C 2.138 179.794 177.584 0.120 0.000 1.177 275 A CA 1.595 53.731 52.037 0.166 0.000 0.636 275 A CB -1.088 18.054 19.000 0.237 0.000 0.815 275 A HN 0.589 nan 8.150 nan 0.000 0.449 276 L N -0.433 120.828 121.223 0.064 0.000 2.599 276 L HA 0.030 4.370 4.340 0.001 0.000 0.230 276 L C 0.226 177.117 176.870 0.035 0.000 1.141 276 L CA -0.483 54.368 54.840 0.020 0.000 0.877 276 L CB -0.924 41.105 42.059 -0.050 0.000 1.009 276 L HN 0.249 nan 8.230 nan 0.000 0.447 277 N N 0.511 119.246 118.700 0.059 0.000 2.395 277 N HA -0.024 4.716 4.740 0.001 0.000 0.246 277 N C 0.024 175.572 175.510 0.063 0.000 1.246 277 N CA 0.596 53.683 53.050 0.061 0.000 0.879 277 N CB 0.484 39.014 38.487 0.072 0.000 1.098 277 N HN -0.077 nan 8.380 nan 0.000 0.444 278 T N 2.139 116.726 114.554 0.056 0.000 2.737 278 T HA 0.105 4.456 4.350 0.001 0.000 0.296 278 T C 0.026 174.764 174.700 0.063 0.000 0.922 278 T CA -0.260 61.875 62.100 0.057 0.000 1.079 278 T CB 0.007 68.903 68.868 0.048 0.000 0.892 278 T HN 0.323 nan 8.240 nan 0.000 0.514 279 T N 5.869 120.467 114.554 0.073 0.000 2.866 279 T HA 0.188 4.538 4.350 0.001 0.000 0.293 279 T C 0.319 175.056 174.700 0.061 0.000 1.005 279 T CA 0.230 62.373 62.100 0.073 0.000 1.162 279 T CB -0.112 68.809 68.868 0.089 0.000 0.968 279 T HN 0.775 nan 8.240 nan 0.000 0.530 280 Q N 1.935 121.766 119.800 0.051 0.000 2.633 280 Q HA 0.491 4.832 4.340 0.001 0.000 0.289 280 Q C -1.455 174.568 176.000 0.038 0.000 0.940 280 Q CA -1.225 54.608 55.803 0.049 0.000 0.785 280 Q CB 0.868 29.634 28.738 0.047 0.000 1.467 280 Q HN 0.295 nan 8.270 nan 0.000 0.401 281 I N 1.613 122.212 120.570 0.049 0.000 2.496 281 I HA 0.272 4.442 4.170 0.001 0.000 0.285 281 I C -2.015 174.112 176.117 0.018 0.000 1.080 281 I CA -1.921 59.402 61.300 0.039 0.000 1.404 281 I CB -0.261 37.792 38.000 0.088 0.000 1.403 281 I HN 0.564 nan 8.210 nan 0.000 0.539 282 P HA 0.112 nan 4.420 nan 0.000 0.271 282 P C 0.923 178.221 177.300 -0.004 0.000 1.218 282 P CA -0.211 62.885 63.100 -0.007 0.000 0.780 282 P CB 0.656 32.341 31.700 -0.026 0.000 0.901 283 S N 1.325 117.035 115.700 0.016 0.000 2.370 283 S HA -0.215 4.255 4.470 0.001 0.000 0.226 283 S C 1.933 176.539 174.600 0.010 0.000 1.033 283 S CA 1.781 59.995 58.200 0.024 0.000 1.011 283 S CB -1.569 61.651 63.200 0.033 0.000 0.852 283 S HN 0.549 nan 8.310 nan 0.000 0.457 284 S N 2.676 118.379 115.700 0.004 0.000 2.370 284 S HA -0.069 4.401 4.470 0.001 0.000 0.226 284 S C 1.901 176.469 174.600 -0.053 0.000 1.033 284 S CA 1.247 59.446 58.200 -0.002 0.000 1.011 284 S CB -0.884 62.323 63.200 0.011 0.000 0.852 284 S HN 0.456 nan 8.310 nan 0.000 0.457 285 I N 2.431 122.930 120.570 -0.117 0.000 2.454 285 I HA -0.074 4.096 4.170 0.001 0.000 0.254 285 I C 2.698 178.591 176.117 -0.374 0.000 1.156 285 I CA 1.039 62.163 61.300 -0.294 0.000 1.433 285 I CB -1.417 36.379 38.000 -0.340 0.000 1.082 285 I HN 0.391 nan 8.210 nan 0.000 0.432 286 E N 1.206 121.329 120.200 -0.129 0.000 2.023 286 E HA -0.239 4.112 4.350 0.001 0.000 0.196 286 E C 1.742 178.384 176.600 0.069 0.000 1.003 286 E CA 1.646 58.061 56.400 0.026 0.000 0.809 286 E CB -0.377 29.366 29.700 0.072 0.000 0.755 286 E HN 0.481 nan 8.360 nan 0.000 0.449 287 D N 0.817 121.249 120.400 0.054 0.000 2.149 287 D HA -0.185 4.456 4.640 0.001 0.000 0.194 287 D C 2.027 178.417 176.300 0.151 0.000 1.001 287 D CA 1.039 55.098 54.000 0.098 0.000 0.849 287 D CB -0.365 40.485 40.800 0.084 0.000 0.939 287 D HN 0.215 nan 8.370 nan 0.000 0.449 288 I N -0.385 120.246 120.570 0.103 0.000 2.226 288 I HA -0.249 3.922 4.170 0.001 0.000 0.245 288 I C 2.072 178.406 176.117 0.362 0.000 1.100 288 I CA 0.908 62.344 61.300 0.226 0.000 1.374 288 I CB -0.302 37.706 38.000 0.013 0.000 1.057 288 I HN 0.033 nan 8.210 nan 0.000 0.413 289 F N 1.100 121.142 119.950 0.153 0.000 2.051 289 F HA -0.190 4.337 4.527 0.001 0.000 0.296 289 F C 1.981 177.838 175.800 0.096 0.000 1.122 289 F CA 0.696 58.763 58.000 0.112 0.000 1.201 289 F CB -0.326 38.716 39.000 0.069 0.000 0.978 289 F HN 0.122 nan 8.300 nan 0.000 0.472 290 N N 0.852 119.732 118.700 0.300 0.000 2.551 290 N HA -0.050 4.690 4.740 0.001 0.000 0.199 290 N C -0.831 174.755 175.510 0.127 0.000 1.277 290 N CA 0.485 53.636 53.050 0.168 0.000 0.870 290 N CB -0.642 37.927 38.487 0.137 0.000 1.028 290 N HN 0.331 nan 8.380 nan 0.000 0.452 291 D N -0.314 120.177 120.400 0.152 0.000 2.177 291 D HA 0.034 4.675 4.640 0.001 0.000 0.247 291 D C 1.014 177.295 176.300 -0.033 0.000 1.063 291 D CA -0.604 53.444 54.000 0.080 0.000 0.867 291 D CB 1.323 42.218 40.800 0.160 0.000 1.168 291 D HN -0.077 nan 8.370 nan 0.000 0.445 292 D N 2.151 122.508 120.400 -0.071 0.000 2.170 292 D HA -0.290 4.350 4.640 0.001 0.000 0.193 292 D C 1.687 177.848 176.300 -0.232 0.000 1.004 292 D CA 1.462 55.392 54.000 -0.116 0.000 0.860 292 D CB 0.236 40.976 40.800 -0.100 0.000 0.931 292 D HN 0.221 nan 8.370 nan 0.000 0.448 293 R N -0.672 119.556 120.500 -0.454 0.000 2.193 293 R HA -0.007 4.333 4.340 0.001 0.000 0.229 293 R C 2.150 178.078 176.300 -0.620 0.000 1.110 293 R CA 1.195 56.799 56.100 -0.826 0.000 0.988 293 R CB -0.974 28.256 30.300 -1.782 0.000 0.871 293 R HN 0.487 nan 8.270 nan 0.000 0.458 294 C N -1.285 117.844 119.300 -0.285 0.000 2.609 294 C HA 0.292 4.752 4.460 0.001 0.000 0.305 294 C C 2.145 177.152 174.990 0.029 0.000 1.319 294 C CA -0.454 58.604 59.018 0.068 0.000 1.793 294 C CB -0.495 27.447 27.740 0.336 0.000 2.260 294 C HN 0.410 nan 8.230 nan 0.000 0.535 295 I N 2.105 122.670 120.570 -0.009 0.000 2.315 295 I HA -0.010 4.161 4.170 0.001 0.000 0.248 295 I C 0.098 176.198 176.117 -0.027 0.000 1.117 295 I CA 1.429 62.724 61.300 -0.009 0.000 1.404 295 I CB -1.023 36.970 38.000 -0.010 0.000 1.071 295 I HN 0.478 nan 8.210 nan 0.000 0.419 296 N N 2.281 120.949 118.700 -0.053 0.000 2.491 296 N HA 0.269 5.010 4.740 0.001 0.000 0.274 296 N C -0.078 175.397 175.510 -0.057 0.000 1.023 296 N CA -0.387 52.634 53.050 -0.049 0.000 0.902 296 N CB 2.481 40.937 38.487 -0.052 0.000 1.267 296 N HN 0.002 nan 8.380 nan 0.000 0.503 297 I N -0.827 119.725 120.570 -0.031 0.000 3.244 297 I HA 0.692 4.863 4.170 0.001 0.000 0.314 297 I C 0.586 176.692 176.117 -0.020 0.000 1.043 297 I CA -0.280 61.008 61.300 -0.020 0.000 1.099 297 I CB 1.002 39.005 38.000 0.005 0.000 1.449 297 I HN 0.388 nan 8.210 nan 0.000 0.625 298 T N 0.160 114.709 114.554 -0.008 0.000 2.718 298 T HA 0.308 4.659 4.350 0.001 0.000 0.306 298 T C 0.249 174.953 174.700 0.006 0.000 1.485 298 T CA -0.630 61.466 62.100 -0.007 0.000 0.997 298 T CB 1.299 70.158 68.868 -0.015 0.000 1.504 298 T HN 0.707 nan 8.240 nan 0.000 0.497 299 K N 0.499 120.902 120.400 0.005 0.000 2.504 299 K HA 0.017 4.338 4.320 0.001 0.000 0.195 299 K C 1.519 178.128 176.600 0.016 0.000 1.036 299 K CA 0.700 56.993 56.287 0.010 0.000 0.984 299 K CB 0.132 32.636 32.500 0.006 0.000 0.788 299 K HN 0.334 nan 8.250 nan 0.000 0.488 300 Q N -0.127 119.681 119.800 0.013 0.000 2.339 300 Q HA 0.033 4.374 4.340 0.001 0.000 0.205 300 Q C 0.429 176.452 176.000 0.038 0.000 0.925 300 Q CA 0.529 56.343 55.803 0.018 0.000 0.898 300 Q CB -0.152 28.589 28.738 0.005 0.000 1.013 300 Q HN 0.058 nan 8.270 nan 0.000 0.504 301 T N 5.435 120.012 114.554 0.038 0.000 2.704 301 T HA 0.027 4.378 4.350 0.001 0.000 0.271 301 T C -2.194 172.588 174.700 0.137 0.000 1.000 301 T CA -0.448 61.699 62.100 0.078 0.000 1.216 301 T CB 0.209 69.116 68.868 0.064 0.000 0.961 301 T HN 0.149 nan 8.240 nan 0.000 0.515 302 P HA 0.139 nan 4.420 nan 0.000 0.270 302 P C 0.903 178.326 177.300 0.204 0.000 1.223 302 P CA -0.304 62.913 63.100 0.195 0.000 0.785 302 P CB 0.701 32.536 31.700 0.226 0.000 0.923 303 S N 0.954 116.732 115.700 0.130 0.000 2.412 303 S HA -0.274 4.197 4.470 0.001 0.000 0.246 303 S C 1.535 176.188 174.600 0.089 0.000 1.073 303 S CA 1.893 60.148 58.200 0.092 0.000 1.186 303 S CB -1.389 61.849 63.200 0.064 0.000 1.084 303 S HN 0.623 nan 8.310 nan 0.000 0.434 304 F N 1.017 120.921 119.950 -0.077 0.000 2.048 304 F HA -0.262 4.266 4.527 0.001 0.000 0.296 304 F C 1.991 177.689 175.800 -0.170 0.000 1.109 304 F CA 1.860 59.729 58.000 -0.219 0.000 1.214 304 F CB -0.865 37.867 39.000 -0.447 0.000 0.963 304 F HN 0.300 nan 8.300 nan 0.000 0.491 305 W N 0.318 121.594 121.300 -0.040 0.000 2.374 305 W HA -0.126 4.535 4.660 0.001 0.000 0.288 305 W C 2.447 178.896 176.519 -0.116 0.000 1.218 305 W CA 0.976 58.248 57.345 -0.122 0.000 1.245 305 W CB -0.463 29.028 29.460 0.051 0.000 1.126 305 W HN 0.069 nan 8.180 nan 0.000 0.545 306 I N -0.179 120.475 120.570 0.140 0.000 2.202 306 I HA -0.298 3.873 4.170 0.001 0.000 0.242 306 I C 2.178 178.296 176.117 0.003 0.000 1.091 306 I CA 1.217 62.561 61.300 0.074 0.000 1.368 306 I CB -0.715 37.320 38.000 0.059 0.000 1.058 306 I HN -0.040 nan 8.210 nan 0.000 0.410 307 L N 0.644 121.824 121.223 -0.072 0.000 2.042 307 L HA -0.214 4.127 4.340 0.001 0.000 0.210 307 L C 2.844 179.618 176.870 -0.160 0.000 1.076 307 L CA 1.445 56.210 54.840 -0.126 0.000 0.749 307 L CB -0.754 41.201 42.059 -0.172 0.000 0.893 307 L HN 0.236 nan 8.230 nan 0.000 0.432 308 A N 0.002 122.646 122.820 -0.293 0.000 1.902 308 A HA -0.250 4.070 4.320 0.001 0.000 0.217 308 A C 2.351 180.005 177.584 0.117 0.000 1.181 308 A CA 1.819 53.745 52.037 -0.185 0.000 0.623 308 A CB -0.479 18.296 19.000 -0.375 0.000 0.818 308 A HN 0.287 nan 8.150 nan 0.000 0.443 309 R N 0.327 120.877 120.500 0.083 0.000 2.083 309 R HA -0.065 4.275 4.340 0.001 0.000 0.237 309 R C 2.172 178.494 176.300 0.036 0.000 1.137 309 R CA 2.028 58.171 56.100 0.072 0.000 0.951 309 R CB -1.069 29.271 30.300 0.067 0.000 0.851 309 R HN 0.401 nan 8.270 nan 0.000 0.434 310 A N 0.822 123.668 122.820 0.042 0.000 1.849 310 A HA -0.197 4.124 4.320 0.001 0.000 0.217 310 A C 2.320 179.944 177.584 0.066 0.000 1.202 310 A CA 1.993 54.068 52.037 0.063 0.000 0.629 310 A CB -1.046 17.967 19.000 0.022 0.000 0.834 310 A HN 0.372 nan 8.150 nan 0.000 0.447 311 L N -0.563 120.693 121.223 0.055 0.000 2.034 311 L HA -0.319 4.022 4.340 0.001 0.000 0.217 311 L C 2.694 179.620 176.870 0.093 0.000 1.077 311 L CA 2.310 57.225 54.840 0.125 0.000 0.769 311 L CB -0.595 41.595 42.059 0.218 0.000 0.890 311 L HN 0.548 nan 8.230 nan 0.000 0.435 312 K N -0.260 120.024 120.400 -0.193 0.000 2.074 312 K HA -0.226 4.095 4.320 0.001 0.000 0.209 312 K C 2.057 178.455 176.600 -0.337 0.000 1.048 312 K CA 1.546 57.337 56.287 -0.828 0.000 0.926 312 K CB 0.101 32.103 32.500 -0.829 0.000 0.713 312 K HN 0.249 nan 8.250 nan 0.000 0.444 313 E N 0.245 120.392 120.200 -0.087 0.000 2.028 313 E HA -0.162 4.189 4.350 0.001 0.000 0.190 313 E C 1.745 178.396 176.600 0.086 0.000 0.984 313 E CA 0.863 57.277 56.400 0.023 0.000 0.800 313 E CB -0.612 29.174 29.700 0.142 0.000 0.758 313 E HN 0.343 nan 8.360 nan 0.000 0.448 314 F N 2.118 122.077 119.950 0.014 0.000 2.085 314 F HA -0.320 4.208 4.527 0.001 0.000 0.299 314 F C 2.168 177.935 175.800 -0.055 0.000 1.096 314 F CA 1.589 59.540 58.000 -0.081 0.000 1.227 314 F CB -0.441 38.438 39.000 -0.202 0.000 0.983 314 F HN -0.169 nan 8.300 nan 0.000 0.482 315 V N 0.749 120.654 119.914 -0.015 0.000 2.252 315 V HA -0.378 3.743 4.120 0.001 0.000 0.249 315 V C 2.737 178.716 176.094 -0.192 0.000 1.056 315 V CA 2.239 64.485 62.300 -0.090 0.000 1.022 315 V CB -1.779 30.042 31.823 -0.003 0.000 0.641 315 V HN 0.550 nan 8.190 nan 0.000 0.445 316 A N -1.312 121.415 122.820 -0.155 0.000 2.168 316 A HA -0.106 4.215 4.320 0.001 0.000 0.215 316 A C 2.095 179.599 177.584 -0.134 0.000 1.152 316 A CA 1.770 53.731 52.037 -0.126 0.000 0.716 316 A CB -0.168 18.769 19.000 -0.105 0.000 0.794 316 A HN 0.607 nan 8.150 nan 0.000 0.465 317 K N -0.880 119.413 120.400 -0.178 0.000 3.533 317 K HA 0.134 4.455 4.320 0.001 0.000 0.215 317 K C 1.599 178.044 176.600 -0.258 0.000 1.143 317 K CA 0.478 56.672 56.287 -0.155 0.000 1.479 317 K CB 0.036 32.510 32.500 -0.043 0.000 2.075 317 K HN 0.081 nan 8.250 nan 0.000 0.476 318 E N 0.449 120.427 120.200 -0.370 0.000 2.077 318 E HA -0.075 4.275 4.350 0.001 0.000 0.193 318 E C 1.741 177.962 176.600 -0.631 0.000 0.989 318 E CA 1.412 57.554 56.400 -0.429 0.000 0.800 318 E CB -0.512 28.981 29.700 -0.345 0.000 0.746 318 E HN 0.652 nan 8.360 nan 0.000 0.452 319 G N 0.436 108.477 108.800 -1.265 0.000 2.485 319 G HA2 -0.342 3.619 3.960 0.001 0.000 0.221 319 G HA3 -0.342 3.619 3.960 0.001 0.000 0.221 319 G C 0.214 174.934 174.900 -0.300 0.000 1.115 319 G CA 0.820 45.413 45.100 -0.845 0.000 0.751 319 G HN 0.278 nan 8.290 nan 0.000 0.567 320 Q N -1.735 117.903 119.800 -0.270 0.000 2.463 320 Q HA -0.212 4.129 4.340 0.001 0.000 0.299 320 Q C 1.328 177.284 176.000 -0.074 0.000 1.353 320 Q CA 0.381 56.106 55.803 -0.130 0.000 0.828 320 Q CB -1.834 26.855 28.738 -0.082 0.000 1.157 320 Q HN 1.294 nan 8.270 nan 0.000 0.436 321 G N -0.723 108.030 108.800 -0.078 0.000 2.176 321 G HA2 -0.312 3.649 3.960 0.001 0.000 0.253 321 G HA3 -0.312 3.649 3.960 0.001 0.000 0.253 321 G C -0.112 174.804 174.900 0.027 0.000 0.979 321 G CA 0.330 45.419 45.100 -0.019 0.000 0.641 321 G HN 0.492 nan 8.290 nan 0.000 0.530 322 N N -0.857 117.862 118.700 0.031 0.000 2.262 322 N HA 0.660 5.401 4.740 0.001 0.000 0.295 322 N C 0.077 175.695 175.510 0.181 0.000 1.161 322 N CA -1.057 52.047 53.050 0.090 0.000 0.767 322 N CB 1.650 40.182 38.487 0.075 0.000 1.499 322 N HN 0.107 nan 8.380 nan 0.000 0.476 323 L N 1.909 123.237 121.223 0.176 0.000 2.464 323 L HA 0.297 4.637 4.340 0.001 0.000 0.264 323 L C -1.746 175.228 176.870 0.173 0.000 1.199 323 L CA -1.431 53.528 54.840 0.197 0.000 0.818 323 L CB -0.068 42.021 42.059 0.051 0.000 1.102 323 L HN 0.334 nan 8.230 nan 0.000 0.473 324 P HA -0.026 nan 4.420 nan 0.000 0.267 324 P C -0.540 176.687 177.300 -0.121 0.000 1.200 324 P CA -0.204 62.789 63.100 -0.179 0.000 0.772 324 P CB 0.512 31.857 31.700 -0.592 0.000 0.855 325 V N 4.857 124.696 119.914 -0.126 0.000 2.493 325 V HA -0.056 4.065 4.120 0.001 0.000 0.292 325 V C 2.448 178.486 176.094 -0.092 0.000 1.016 325 V CA 0.397 62.630 62.300 -0.112 0.000 1.097 325 V CB -0.515 31.160 31.823 -0.246 0.000 0.947 325 V HN 0.654 nan 8.190 nan 0.000 0.479 326 R N 3.484 123.955 120.500 -0.049 0.000 2.096 326 R HA -0.139 4.201 4.340 0.001 0.000 0.240 326 R C 1.716 177.998 176.300 -0.029 0.000 1.139 326 R CA 1.990 58.061 56.100 -0.047 0.000 0.952 326 R CB -0.283 30.007 30.300 -0.017 0.000 0.854 326 R HN 1.137 nan 8.270 nan 0.000 0.436 327 G N -1.319 107.491 108.800 0.016 0.000 2.218 327 G HA2 -0.248 3.713 3.960 0.001 0.000 0.216 327 G HA3 -0.248 3.713 3.960 0.001 0.000 0.216 327 G C 0.193 175.097 174.900 0.006 0.000 0.994 327 G CA 0.355 45.475 45.100 0.033 0.000 0.637 327 G HN 0.621 nan 8.290 nan 0.000 0.505 328 T N -0.560 113.967 114.554 -0.045 0.000 2.912 328 T HA 0.805 5.155 4.350 0.001 0.000 0.288 328 T C 0.035 174.614 174.700 -0.202 0.000 1.030 328 T CA -0.260 61.787 62.100 -0.088 0.000 1.020 328 T CB 2.527 71.379 68.868 -0.027 0.000 1.056 328 T HN 1.376 nan 8.240 nan 0.000 0.480 329 I N -1.008 119.434 120.570 -0.213 0.000 2.934 329 I HA 0.770 4.940 4.170 0.001 0.000 0.306 329 I C -2.706 173.381 176.117 -0.049 0.000 1.110 329 I CA -2.909 58.239 61.300 -0.253 0.000 1.019 329 I CB 2.149 39.871 38.000 -0.463 0.000 1.227 329 I HN 0.474 nan 8.210 nan 0.000 0.434 330 P HA 0.248 nan 4.420 nan 0.000 0.282 330 P C -1.271 176.140 177.300 0.185 0.000 1.287 330 P CA -0.074 63.094 63.100 0.112 0.000 0.792 330 P CB 0.766 32.559 31.700 0.156 0.000 1.163 331 D N -0.583 119.897 120.400 0.134 0.000 2.329 331 D HA 0.453 5.094 4.640 0.001 0.000 0.246 331 D C -0.151 176.202 176.300 0.087 0.000 1.111 331 D CA -0.120 53.900 54.000 0.033 0.000 0.941 331 D CB 0.343 41.114 40.800 -0.048 0.000 1.169 331 D HN 0.360 nan 8.370 nan 0.000 0.441 332 M N 0.335 119.919 119.600 -0.026 0.000 2.833 332 M HA 0.369 4.850 4.480 0.001 0.000 0.270 332 M C -1.200 175.096 176.300 -0.008 0.000 1.209 332 M CA -0.987 54.378 55.300 0.109 0.000 0.826 332 M CB 1.111 33.829 32.600 0.197 0.000 1.657 332 M HN 0.133 nan 8.290 nan 0.000 0.492 333 I N 2.044 122.658 120.570 0.073 0.000 2.363 333 I HA 0.608 4.779 4.170 0.001 0.000 0.292 333 I C 0.071 176.213 176.117 0.042 0.000 1.075 333 I CA 0.204 61.519 61.300 0.025 0.000 1.333 333 I CB 0.526 38.564 38.000 0.063 0.000 1.415 333 I HN 0.810 nan 8.210 nan 0.000 0.502 334 A N 6.357 129.170 122.820 -0.012 0.000 2.564 334 A HA 0.475 4.796 4.320 0.001 0.000 0.291 334 A C -1.450 176.122 177.584 -0.019 0.000 1.102 334 A CA -0.900 51.170 52.037 0.056 0.000 0.660 334 A CB 1.259 20.344 19.000 0.142 0.000 1.283 334 A HN 0.652 nan 8.150 nan 0.000 0.430 335 D N 0.441 120.873 120.400 0.052 0.000 2.253 335 D HA 0.365 5.005 4.640 0.001 0.000 0.249 335 D C 0.865 177.217 176.300 0.086 0.000 1.049 335 D CA 0.303 54.309 54.000 0.010 0.000 0.929 335 D CB 1.384 42.237 40.800 0.089 0.000 1.176 335 D HN 0.292 nan 8.370 nan 0.000 0.437 336 S N 1.861 117.595 115.700 0.057 0.000 2.414 336 S HA -0.247 4.223 4.470 0.001 0.000 0.238 336 S C 2.040 176.727 174.600 0.143 0.000 1.055 336 S CA 1.763 60.020 58.200 0.095 0.000 1.174 336 S CB -1.101 62.134 63.200 0.058 0.000 1.087 336 S HN 0.831 nan 8.310 nan 0.000 0.428 337 G N 1.616 110.485 108.800 0.116 0.000 2.469 337 G HA2 -0.265 3.696 3.960 0.001 0.000 0.219 337 G HA3 -0.265 3.696 3.960 0.001 0.000 0.219 337 G C 1.473 176.462 174.900 0.149 0.000 1.150 337 G CA 1.439 46.608 45.100 0.114 0.000 0.763 337 G HN 0.397 nan 8.290 nan 0.000 0.561 338 K N -0.574 119.940 120.400 0.190 0.000 2.026 338 K HA -0.060 4.260 4.320 0.001 0.000 0.208 338 K C 2.085 178.829 176.600 0.241 0.000 1.048 338 K CA 1.075 57.517 56.287 0.258 0.000 0.929 338 K CB -0.618 32.056 32.500 0.290 0.000 0.713 338 K HN 0.419 nan 8.250 nan 0.000 0.439 339 Y N 0.746 121.100 120.300 0.090 0.000 2.133 339 Y HA -0.177 4.374 4.550 0.001 0.000 0.287 339 Y C 1.751 177.673 175.900 0.036 0.000 1.134 339 Y CA 1.365 59.490 58.100 0.043 0.000 1.133 339 Y CB -0.125 38.342 38.460 0.012 0.000 0.987 339 Y HN -0.068 nan 8.280 nan 0.000 0.502 340 I N 0.680 121.312 120.570 0.104 0.000 2.208 340 I HA -0.324 3.847 4.170 0.001 0.000 0.245 340 I C 2.332 178.417 176.117 -0.052 0.000 1.097 340 I CA 1.652 62.959 61.300 0.011 0.000 1.363 340 I CB -1.229 36.816 38.000 0.074 0.000 1.051 340 I HN 0.266 nan 8.210 nan 0.000 0.413 341 K N 0.416 120.820 120.400 0.005 0.000 2.025 341 K HA -0.195 4.126 4.320 0.001 0.000 0.207 341 K C 2.099 178.605 176.600 -0.157 0.000 1.049 341 K CA 1.111 57.401 56.287 0.004 0.000 0.933 341 K CB -0.190 32.398 32.500 0.146 0.000 0.714 341 K HN 0.105 nan 8.250 nan 0.000 0.438 342 L N 1.468 122.596 121.223 -0.159 0.000 2.056 342 L HA -0.169 4.171 4.340 0.001 0.000 0.207 342 L C 2.295 179.039 176.870 -0.210 0.000 1.078 342 L CA 1.753 56.401 54.840 -0.321 0.000 0.749 342 L CB -0.692 41.315 42.059 -0.087 0.000 0.901 342 L HN 0.280 nan 8.230 nan 0.000 0.433 343 Q N -0.727 118.901 119.800 -0.287 0.000 2.084 343 Q HA -0.233 4.107 4.340 0.001 0.000 0.202 343 Q C 1.904 177.860 176.000 -0.073 0.000 0.978 343 Q CA 1.749 57.410 55.803 -0.236 0.000 0.844 343 Q CB -0.092 28.391 28.738 -0.425 0.000 0.898 343 Q HN 0.591 nan 8.270 nan 0.000 0.426 344 N N -0.058 118.581 118.700 -0.101 0.000 2.149 344 N HA -0.140 4.600 4.740 0.001 0.000 0.188 344 N C 1.808 177.280 175.510 -0.062 0.000 1.019 344 N CA 1.152 54.163 53.050 -0.064 0.000 0.857 344 N CB -0.299 38.151 38.487 -0.061 0.000 0.997 344 N HN 0.097 nan 8.380 nan 0.000 0.426 345 V N 0.562 120.395 119.914 -0.136 0.000 2.332 345 V HA -0.250 3.871 4.120 0.001 0.000 0.248 345 V C 1.683 177.735 176.094 -0.070 0.000 1.055 345 V CA 1.501 63.699 62.300 -0.171 0.000 1.038 345 V CB -0.687 30.886 31.823 -0.416 0.000 0.651 345 V HN 0.280 nan 8.190 nan 0.000 0.450 346 Y N -0.190 120.086 120.300 -0.040 0.000 2.293 346 Y HA -0.120 4.430 4.550 0.001 0.000 0.291 346 Y C 2.668 178.528 175.900 -0.067 0.000 1.137 346 Y CA 1.441 59.538 58.100 -0.004 0.000 1.202 346 Y CB -0.313 38.129 38.460 -0.030 0.000 0.990 346 Y HN 0.070 nan 8.280 nan 0.000 0.537 347 R N 0.226 120.773 120.500 0.077 0.000 2.070 347 R HA -0.161 4.179 4.340 0.001 0.000 0.232 347 R C 2.187 178.472 176.300 -0.025 0.000 1.138 347 R CA 1.641 57.747 56.100 0.010 0.000 0.936 347 R CB -0.153 30.143 30.300 -0.006 0.000 0.839 347 R HN 0.243 nan 8.270 nan 0.000 0.429 348 E N 0.777 120.959 120.200 -0.030 0.000 2.070 348 E HA -0.253 4.097 4.350 0.001 0.000 0.197 348 E C 1.824 178.382 176.600 -0.070 0.000 1.004 348 E CA 1.272 57.647 56.400 -0.042 0.000 0.805 348 E CB -0.225 29.455 29.700 -0.033 0.000 0.744 348 E HN 0.066 nan 8.360 nan 0.000 0.451 349 K N 1.297 121.640 120.400 -0.095 0.000 2.044 349 K HA -0.140 4.180 4.320 0.001 0.000 0.210 349 K C 1.943 178.416 176.600 -0.212 0.000 1.049 349 K CA 1.853 58.007 56.287 -0.223 0.000 0.927 349 K CB -0.729 31.471 32.500 -0.499 0.000 0.713 349 K HN 0.078 nan 8.250 nan 0.000 0.443 350 A N 0.927 123.654 122.820 -0.155 0.000 1.851 350 A HA -0.230 4.090 4.320 0.001 0.000 0.216 350 A C 2.070 179.578 177.584 -0.128 0.000 1.195 350 A CA 2.291 54.245 52.037 -0.138 0.000 0.622 350 A CB -0.683 18.264 19.000 -0.087 0.000 0.831 350 A HN 0.446 nan 8.150 nan 0.000 0.444 351 K N -0.370 119.973 120.400 -0.094 0.000 2.077 351 K HA -0.272 4.049 4.320 0.001 0.000 0.213 351 K C 2.243 178.790 176.600 -0.088 0.000 1.051 351 K CA 2.125 58.363 56.287 -0.082 0.000 0.929 351 K CB -0.232 32.232 32.500 -0.059 0.000 0.715 351 K HN 0.558 nan 8.250 nan 0.000 0.451 352 K N 1.265 121.614 120.400 -0.085 0.000 1.987 352 K HA -0.229 4.092 4.320 0.001 0.000 0.216 352 K C 1.562 178.117 176.600 -0.075 0.000 1.051 352 K CA 2.460 58.707 56.287 -0.068 0.000 0.942 352 K CB -0.178 32.283 32.500 -0.065 0.000 0.722 352 K HN 0.045 nan 8.250 nan 0.000 0.444 353 D N 0.206 120.543 120.400 -0.105 0.000 2.190 353 D HA -0.177 4.464 4.640 0.001 0.000 0.200 353 D C 1.678 177.811 176.300 -0.278 0.000 0.992 353 D CA 1.362 55.276 54.000 -0.142 0.000 0.854 353 D CB -0.135 40.528 40.800 -0.229 0.000 0.936 353 D HN 0.430 nan 8.370 nan 0.000 0.462 354 A N 0.813 123.502 122.820 -0.219 0.000 1.877 354 A HA -0.027 4.294 4.320 0.001 0.000 0.216 354 A C 2.291 179.780 177.584 -0.159 0.000 1.186 354 A CA 2.032 53.945 52.037 -0.208 0.000 0.620 354 A CB -0.949 17.962 19.000 -0.148 0.000 0.822 354 A HN 0.249 nan 8.150 nan 0.000 0.443 355 A N -0.034 122.723 122.820 -0.104 0.000 1.858 355 A HA 0.129 4.449 4.320 0.001 0.000 0.216 355 A C 2.564 180.118 177.584 -0.051 0.000 1.190 355 A CA 2.437 54.438 52.037 -0.060 0.000 0.617 355 A CB -1.300 17.680 19.000 -0.033 0.000 0.827 355 A HN 1.161 nan 8.150 nan 0.000 0.443 356 A N -0.418 122.376 122.820 -0.043 0.000 1.859 356 A HA -0.164 4.156 4.320 0.001 0.000 0.218 356 A C 2.225 179.678 177.584 -0.218 0.000 1.209 356 A CA 2.445 54.471 52.037 -0.019 0.000 0.639 356 A CB -1.391 17.688 19.000 0.131 0.000 0.835 356 A HN 0.618 nan 8.150 nan 0.000 0.450 357 V N 0.030 119.762 119.914 -0.303 0.000 2.380 357 V HA -0.262 3.858 4.120 0.001 0.000 0.251 357 V C 2.761 178.748 176.094 -0.178 0.000 1.063 357 V CA 2.151 64.232 62.300 -0.364 0.000 1.055 357 V CB -1.657 29.901 31.823 -0.442 0.000 0.657 357 V HN 0.693 nan 8.190 nan 0.000 0.455 358 G N -0.130 108.602 108.800 -0.112 0.000 2.421 358 G HA2 -0.278 3.683 3.960 0.001 0.000 0.216 358 G HA3 -0.278 3.683 3.960 0.001 0.000 0.216 358 G C 1.285 176.209 174.900 0.040 0.000 1.171 358 G CA 0.948 46.026 45.100 -0.038 0.000 0.775 358 G HN 0.626 nan 8.290 nan 0.000 0.543 359 N N -0.157 118.603 118.700 0.099 0.000 2.609 359 N HA -0.024 4.716 4.740 0.001 0.000 0.190 359 N C 1.269 176.956 175.510 0.296 0.000 1.157 359 N CA 0.128 53.287 53.050 0.183 0.000 0.918 359 N CB -0.117 38.487 38.487 0.195 0.000 0.978 359 N HN 0.548 nan 8.380 nan 0.000 0.448 360 H N -1.300 117.777 119.070 0.011 0.000 2.705 360 H HA 0.059 4.616 4.556 0.001 0.000 0.269 360 H C 2.009 177.337 175.328 0.001 0.000 0.998 360 H CA 0.113 56.168 56.048 0.012 0.000 1.193 360 H CB 0.705 30.486 29.762 0.033 0.000 1.485 360 H HN 0.151 nan 8.280 nan 0.000 0.521 361 V N -1.517 118.467 119.914 0.116 0.000 2.575 361 V HA 0.210 4.331 4.120 0.001 0.000 0.242 361 V C 2.444 178.561 176.094 0.039 0.000 1.045 361 V CA 1.057 63.390 62.300 0.055 0.000 1.065 361 V CB -0.451 31.385 31.823 0.020 0.000 0.717 361 V HN 0.252 nan 8.190 nan 0.000 0.467 362 A N 0.827 123.670 122.820 0.039 0.000 1.972 362 A HA -0.172 4.149 4.320 0.001 0.000 0.219 362 A C 2.221 179.815 177.584 0.017 0.000 1.169 362 A CA 2.217 54.268 52.037 0.023 0.000 0.635 362 A CB -0.622 18.391 19.000 0.022 0.000 0.810 362 A HN 0.595 nan 8.150 nan 0.000 0.446 363 K N -0.134 120.278 120.400 0.021 0.000 2.148 363 K HA 0.043 4.364 4.320 0.001 0.000 0.204 363 K C 1.620 178.219 176.600 -0.002 0.000 1.050 363 K CA 1.247 57.531 56.287 -0.004 0.000 0.942 363 K CB -0.316 32.163 32.500 -0.034 0.000 0.724 363 K HN 0.487 nan 8.250 nan 0.000 0.446 364 L N -0.220 121.012 121.223 0.014 0.000 2.202 364 L HA 0.033 4.374 4.340 0.001 0.000 0.205 364 L C 2.028 178.906 176.870 0.013 0.000 1.083 364 L CA 0.422 55.270 54.840 0.014 0.000 0.790 364 L CB -0.234 41.840 42.059 0.025 0.000 0.942 364 L HN 0.129 nan 8.230 nan 0.000 0.452 365 L N -0.482 120.750 121.223 0.015 0.000 2.141 365 L HA -0.189 4.152 4.340 0.001 0.000 0.209 365 L C 2.150 179.024 176.870 0.007 0.000 1.094 365 L CA 1.143 55.991 54.840 0.013 0.000 0.763 365 L CB -0.401 41.666 42.059 0.013 0.000 0.908 365 L HN 0.373 nan 8.230 nan 0.000 0.437 366 Q N -0.595 119.208 119.800 0.004 0.000 2.444 366 Q HA -0.022 4.319 4.340 0.001 0.000 0.206 366 Q C 1.712 177.710 176.000 -0.003 0.000 0.948 366 Q CA 0.910 56.713 55.803 -0.000 0.000 0.946 366 Q CB 0.291 29.027 28.738 -0.003 0.000 1.027 366 Q HN 0.554 nan 8.270 nan 0.000 0.513 367 S N -1.517 114.182 115.700 -0.002 0.000 2.578 367 S HA 0.141 4.611 4.470 0.001 0.000 0.228 367 S C 1.169 175.768 174.600 -0.002 0.000 1.022 367 S CA -0.199 57.998 58.200 -0.005 0.000 0.967 367 S CB 0.380 63.575 63.200 -0.009 0.000 0.914 367 S HN 0.100 nan 8.310 nan 0.000 0.515 368 I N 1.149 121.720 120.570 0.003 0.000 4.323 368 I HA 0.463 4.634 4.170 0.001 0.000 0.328 368 I C 1.852 177.972 176.117 0.005 0.000 1.310 368 I CA 0.627 61.930 61.300 0.005 0.000 1.186 368 I CB 0.450 38.457 38.000 0.012 0.000 1.130 368 I HN 0.472 nan 8.210 nan 0.000 0.411 369 G N -0.320 108.483 108.800 0.004 0.000 2.234 369 G HA2 -0.204 3.757 3.960 0.001 0.000 0.235 369 G HA3 -0.204 3.757 3.960 0.001 0.000 0.235 369 G C 0.492 175.396 174.900 0.005 0.000 0.997 369 G CA -0.262 44.840 45.100 0.003 0.000 0.623 369 G HN 0.253 nan 8.290 nan 0.000 0.514 370 Q N 0.682 120.487 119.800 0.009 0.000 2.454 370 Q HA 0.560 4.901 4.340 0.001 0.000 0.247 370 Q C 0.709 176.714 176.000 0.008 0.000 1.028 370 Q CA 0.523 56.332 55.803 0.010 0.000 0.910 370 Q CB 0.576 29.324 28.738 0.015 0.000 1.276 370 Q HN 1.042 nan 8.270 nan 0.000 0.489 371 A N 3.772 126.596 122.820 0.007 0.000 2.444 371 A HA 0.201 4.521 4.320 0.001 0.000 0.273 371 A C -1.238 176.350 177.584 0.006 0.000 1.136 371 A CA -1.069 50.971 52.037 0.005 0.000 0.799 371 A CB -0.112 18.891 19.000 0.005 0.000 1.081 371 A HN 0.482 nan 8.150 nan 0.000 0.509 372 P HA -0.176 nan 4.420 nan 0.000 0.231 372 P C 0.558 177.860 177.300 0.003 0.000 1.154 372 P CA 1.284 64.388 63.100 0.006 0.000 0.762 372 P CB 0.304 32.007 31.700 0.005 0.000 0.790 373 E N -0.585 119.616 120.200 0.002 0.000 2.526 373 E HA 0.059 4.409 4.350 0.001 0.000 0.208 373 E C 1.334 177.934 176.600 0.000 0.000 0.997 373 E CA -0.015 56.385 56.400 0.000 0.000 0.961 373 E CB 0.280 29.979 29.700 -0.000 0.000 1.030 373 E HN 0.037 nan 8.360 nan 0.000 0.483 374 S N 0.756 116.458 115.700 0.003 0.000 2.370 374 S HA -0.068 4.403 4.470 0.001 0.000 0.226 374 S C 1.046 175.647 174.600 0.003 0.000 1.033 374 S CA 0.719 58.922 58.200 0.005 0.000 1.011 374 S CB -0.113 63.093 63.200 0.010 0.000 0.852 374 S HN 0.292 nan 8.310 nan 0.000 0.457 375 I N 3.039 123.610 120.570 0.001 0.000 2.308 375 I HA 0.112 4.282 4.170 0.001 0.000 0.293 375 I C 0.641 176.751 176.117 -0.012 0.000 1.078 375 I CA -0.523 60.773 61.300 -0.005 0.000 1.292 375 I CB 0.523 38.519 38.000 -0.007 0.000 1.423 375 I HN 0.180 nan 8.210 nan 0.000 0.493 376 S N 3.693 119.384 115.700 -0.015 0.000 2.608 376 S HA 0.127 4.597 4.470 0.001 0.000 0.261 376 S C 0.920 175.501 174.600 -0.031 0.000 1.314 376 S CA -0.469 57.718 58.200 -0.020 0.000 0.992 376 S CB 1.619 64.807 63.200 -0.020 0.000 0.935 376 S HN 0.710 nan 8.310 nan 0.000 0.564 377 E N 0.552 120.732 120.200 -0.033 0.000 2.076 377 E HA -0.102 4.249 4.350 0.001 0.000 0.190 377 E C 1.846 178.414 176.600 -0.053 0.000 0.979 377 E CA 0.947 57.322 56.400 -0.042 0.000 0.807 377 E CB -0.163 29.515 29.700 -0.037 0.000 0.761 377 E HN 0.748 nan 8.360 nan 0.000 0.454 378 K N 1.229 121.598 120.400 -0.052 0.000 2.286 378 K HA -0.215 4.106 4.320 0.001 0.000 0.203 378 K C 1.693 178.243 176.600 -0.083 0.000 1.045 378 K CA 1.835 58.082 56.287 -0.068 0.000 0.935 378 K CB -0.046 32.414 32.500 -0.065 0.000 0.737 378 K HN 0.145 nan 8.250 nan 0.000 0.460 379 E N -0.718 119.441 120.200 -0.068 0.000 2.190 379 E HA -0.031 4.320 4.350 0.001 0.000 0.191 379 E C 1.698 178.258 176.600 -0.067 0.000 0.978 379 E CA 0.393 56.754 56.400 -0.065 0.000 0.839 379 E CB -0.007 29.668 29.700 -0.042 0.000 0.787 379 E HN 0.311 nan 8.360 nan 0.000 0.473 380 L N 1.489 122.672 121.223 -0.068 0.000 2.056 380 L HA -0.097 4.244 4.340 0.001 0.000 0.207 380 L C 2.156 178.968 176.870 -0.097 0.000 1.078 380 L CA 1.741 56.533 54.840 -0.081 0.000 0.749 380 L CB -0.274 41.737 42.059 -0.078 0.000 0.901 380 L HN -0.070 nan 8.230 nan 0.000 0.433 381 K N -0.612 119.733 120.400 -0.091 0.000 2.044 381 K HA -0.217 4.104 4.320 0.001 0.000 0.210 381 K C 2.064 178.607 176.600 -0.096 0.000 1.049 381 K CA 2.065 58.295 56.287 -0.095 0.000 0.927 381 K CB -0.273 32.177 32.500 -0.083 0.000 0.713 381 K HN 0.389 nan 8.250 nan 0.000 0.443 382 L N 0.548 121.715 121.223 -0.093 0.000 2.046 382 L HA -0.194 4.147 4.340 0.001 0.000 0.208 382 L C 2.460 179.281 176.870 -0.081 0.000 1.077 382 L CA 0.515 55.303 54.840 -0.086 0.000 0.747 382 L CB -0.512 41.493 42.059 -0.089 0.000 0.896 382 L HN 0.286 nan 8.230 nan 0.000 0.432 383 L N -0.354 120.817 121.223 -0.087 0.000 2.079 383 L HA -0.233 4.107 4.340 0.001 0.000 0.210 383 L C 2.441 179.234 176.870 -0.128 0.000 1.081 383 L CA 1.860 56.642 54.840 -0.097 0.000 0.752 383 L CB -0.661 41.334 42.059 -0.107 0.000 0.896 383 L HN 0.245 nan 8.230 nan 0.000 0.433 384 C N -1.498 117.714 119.300 -0.148 0.000 2.476 384 C HA -0.032 4.428 4.460 0.001 0.000 0.278 384 C C 2.889 177.787 174.990 -0.152 0.000 1.274 384 C CA 0.956 59.862 59.018 -0.187 0.000 1.713 384 C CB -0.919 26.694 27.740 -0.212 0.000 2.039 384 C HN 0.621 nan 8.230 nan 0.000 0.484 385 S N 1.026 116.662 115.700 -0.107 0.000 2.419 385 S HA -0.107 4.363 4.470 0.001 0.000 0.235 385 S C 1.347 175.929 174.600 -0.030 0.000 1.019 385 S CA 1.159 59.323 58.200 -0.061 0.000 0.982 385 S CB -0.341 62.838 63.200 -0.034 0.000 0.789 385 S HN 0.625 nan 8.310 nan 0.000 0.490 386 N N 0.464 119.139 118.700 -0.043 0.000 2.214 386 N HA 0.112 4.853 4.740 0.001 0.000 0.214 386 N C 1.377 176.805 175.510 -0.136 0.000 1.132 386 N CA 0.449 53.507 53.050 0.014 0.000 0.856 386 N CB 0.492 39.015 38.487 0.059 0.000 1.020 386 N HN 0.440 nan 8.380 nan 0.000 0.509 387 S N 0.869 116.448 115.700 -0.202 0.000 2.374 387 S HA -0.185 4.286 4.470 0.001 0.000 0.227 387 S C 2.085 176.510 174.600 -0.292 0.000 1.037 387 S CA 1.215 59.288 58.200 -0.211 0.000 1.024 387 S CB -0.249 62.839 63.200 -0.187 0.000 0.861 387 S HN 0.278 nan 8.310 nan 0.000 0.456 388 A N 0.444 122.959 122.820 -0.508 0.000 2.119 388 A HA 0.307 4.628 4.320 0.001 0.000 0.217 388 A C 1.547 178.803 177.584 -0.546 0.000 1.153 388 A CA 0.651 52.318 52.037 -0.617 0.000 0.692 388 A CB -0.731 17.733 19.000 -0.894 0.000 0.799 388 A HN 0.664 nan 8.150 nan 0.000 0.458 389 F N -0.234 119.679 119.950 -0.061 0.000 2.664 389 F HA 0.337 4.865 4.527 0.001 0.000 0.303 389 F C 0.349 176.112 175.800 -0.061 0.000 1.092 389 F CA -0.679 57.286 58.000 -0.058 0.000 1.305 389 F CB -0.048 38.912 39.000 -0.067 0.000 1.054 389 F HN -0.059 nan 8.300 nan 0.000 0.565 390 L N 2.275 123.521 121.223 0.039 0.000 2.506 390 L HA 0.119 4.459 4.340 0.001 0.000 0.281 390 L C 0.275 177.158 176.870 0.023 0.000 1.228 390 L CA 0.367 55.231 54.840 0.041 0.000 0.850 390 L CB 0.148 42.229 42.059 0.037 0.000 1.110 390 L HN 0.139 nan 8.230 nan 0.000 0.496 391 R N 1.962 122.447 120.500 -0.025 0.000 2.626 391 R HA 0.647 4.987 4.340 0.001 0.000 0.274 391 R C -1.545 174.665 176.300 -0.149 0.000 1.031 391 R CA -0.720 55.353 56.100 -0.045 0.000 0.898 391 R CB 2.235 32.527 30.300 -0.015 0.000 1.222 391 R HN 0.305 nan 8.270 nan 0.000 0.455 392 V N 2.298 122.161 119.914 -0.084 0.000 2.577 392 V HA 0.486 4.606 4.120 0.001 0.000 0.303 392 V C -0.375 175.717 176.094 -0.004 0.000 1.042 392 V CA -0.854 61.379 62.300 -0.111 0.000 0.872 392 V CB 2.389 34.194 31.823 -0.031 0.000 0.998 392 V HN 0.421 nan 8.190 nan 0.000 0.423 393 V N 5.468 125.389 119.914 0.012 0.000 2.555 393 V HA 0.639 4.760 4.120 0.001 0.000 0.302 393 V C -0.215 175.920 176.094 0.069 0.000 1.038 393 V CA -0.749 61.581 62.300 0.049 0.000 0.887 393 V CB 2.101 33.956 31.823 0.052 0.000 0.991 393 V HN 0.857 nan 8.190 nan 0.000 0.434 394 R N 2.667 123.209 120.500 0.070 0.000 2.502 394 R HA 0.571 4.912 4.340 0.001 0.000 0.298 394 R C -1.452 174.903 176.300 0.091 0.000 1.018 394 R CA -0.425 55.732 56.100 0.095 0.000 0.899 394 R CB 1.753 32.125 30.300 0.121 0.000 1.181 394 R HN 0.715 nan 8.270 nan 0.000 0.444 395 C N 2.433 121.798 119.300 0.108 0.000 2.350 395 C HA 0.441 4.902 4.460 0.001 0.000 0.348 395 C C 0.842 175.951 174.990 0.199 0.000 1.260 395 C CA -0.923 58.160 59.018 0.107 0.000 1.966 395 C CB 0.587 28.367 27.740 0.066 0.000 2.380 395 C HN 0.728 nan 8.230 nan 0.000 0.535 396 R N 1.499 122.065 120.500 0.109 0.000 2.679 396 R HA 0.349 4.690 4.340 0.001 0.000 0.269 396 R C 0.615 176.878 176.300 -0.061 0.000 1.076 396 R CA 0.061 56.190 56.100 0.048 0.000 1.160 396 R CB 0.549 30.858 30.300 0.014 0.000 1.054 396 R HN 0.929 nan 8.270 nan 0.000 0.507 397 S N 1.533 116.981 115.700 -0.420 0.000 2.592 397 S HA 0.014 4.485 4.470 0.001 0.000 0.271 397 S C 1.168 175.591 174.600 -0.295 0.000 1.326 397 S CA -0.787 56.977 58.200 -0.725 0.000 1.024 397 S CB 0.976 63.199 63.200 -1.627 0.000 0.921 397 S HN 0.608 nan 8.310 nan 0.000 0.527 398 L N 2.562 123.679 121.223 -0.178 0.000 2.089 398 L HA -0.096 4.245 4.340 0.001 0.000 0.213 398 L C 2.550 179.399 176.870 -0.036 0.000 1.079 398 L CA 2.487 57.295 54.840 -0.053 0.000 0.758 398 L CB -1.543 40.465 42.059 -0.085 0.000 0.891 398 L HN 0.967 nan 8.230 nan 0.000 0.433 399 A N -0.461 122.271 122.820 -0.148 0.000 1.865 399 A HA -0.276 4.045 4.320 0.001 0.000 0.217 399 A C 2.082 179.667 177.584 0.002 0.000 1.191 399 A CA 2.001 53.990 52.037 -0.082 0.000 0.623 399 A CB -0.825 18.071 19.000 -0.173 0.000 0.826 399 A HN 0.652 nan 8.150 nan 0.000 0.444 400 E N -0.627 119.526 120.200 -0.078 0.000 2.267 400 E HA -0.225 4.126 4.350 0.001 0.000 0.197 400 E C 1.912 178.546 176.600 0.057 0.000 0.998 400 E CA 1.128 57.516 56.400 -0.020 0.000 0.830 400 E CB -0.118 29.542 29.700 -0.067 0.000 0.751 400 E HN 0.852 nan 8.360 nan 0.000 0.491 401 E N -0.022 120.246 120.200 0.112 0.000 2.060 401 E HA -0.135 4.215 4.350 0.001 0.000 0.189 401 E C 1.395 178.114 176.600 0.198 0.000 0.974 401 E CA 0.620 57.118 56.400 0.164 0.000 0.808 401 E CB 0.087 29.944 29.700 0.261 0.000 0.768 401 E HN 0.244 nan 8.360 nan 0.000 0.453 402 Y N 0.576 120.929 120.300 0.089 0.000 2.395 402 Y HA 0.167 4.717 4.550 0.001 0.000 0.293 402 Y C 1.351 177.407 175.900 0.260 0.000 1.123 402 Y CA 0.713 58.917 58.100 0.173 0.000 1.227 402 Y CB -0.518 38.021 38.460 0.131 0.000 1.012 402 Y HN -0.005 nan 8.280 nan 0.000 0.552 403 G N 0.335 109.308 108.800 0.287 0.000 2.321 403 G HA2 -0.005 3.956 3.960 0.001 0.000 0.237 403 G HA3 -0.005 3.956 3.960 0.001 0.000 0.237 403 G C 0.899 175.951 174.900 0.253 0.000 1.282 403 G CA -0.278 44.942 45.100 0.201 0.000 0.886 403 G HN 0.397 nan 8.290 nan 0.000 0.528 404 L N 1.163 122.474 121.223 0.147 0.000 2.362 404 L HA -0.000 4.341 4.340 0.001 0.000 0.219 404 L C 1.741 178.666 176.870 0.092 0.000 1.134 404 L CA 1.203 56.081 54.840 0.064 0.000 0.807 404 L CB -0.015 41.959 42.059 -0.141 0.000 0.927 404 L HN 0.705 nan 8.230 nan 0.000 0.447 405 D N -3.137 117.309 120.400 0.076 0.000 2.433 405 D HA -0.017 4.623 4.640 0.001 0.000 0.211 405 D C 1.391 177.725 176.300 0.056 0.000 1.114 405 D CA 0.843 54.875 54.000 0.053 0.000 0.837 405 D CB 0.129 40.946 40.800 0.028 0.000 0.984 405 D HN 0.257 nan 8.370 nan 0.000 0.505 406 T N -1.677 112.920 114.554 0.073 0.000 2.959 406 T HA 0.199 4.549 4.350 0.001 0.000 0.254 406 T C 1.119 175.849 174.700 0.050 0.000 1.003 406 T CA -0.463 61.668 62.100 0.052 0.000 0.950 406 T CB 0.239 69.132 68.868 0.041 0.000 1.090 406 T HN 0.164 nan 8.240 nan 0.000 0.503 407 I N 3.320 123.935 120.570 0.075 0.000 2.906 407 I HA -0.009 4.162 4.170 0.001 0.000 0.302 407 I C 0.009 176.118 176.117 -0.012 0.000 1.220 407 I CA 0.123 61.431 61.300 0.014 0.000 1.441 407 I CB 0.377 38.356 38.000 -0.035 0.000 1.336 407 I HN 0.144 nan 8.210 nan 0.000 0.565 408 N N 7.766 126.444 118.700 -0.037 0.000 2.399 408 N HA 0.018 4.758 4.740 0.001 0.000 0.259 408 N C 0.378 175.852 175.510 -0.060 0.000 1.160 408 N CA -0.050 52.980 53.050 -0.034 0.000 0.946 408 N CB 0.802 39.270 38.487 -0.031 0.000 1.156 408 N HN 0.698 nan 8.380 nan 0.000 0.489 409 K N 1.924 122.300 120.400 -0.040 0.000 2.348 409 K HA 0.131 4.452 4.320 0.001 0.000 0.194 409 K C 0.334 176.915 176.600 -0.031 0.000 1.052 409 K CA -0.021 56.236 56.287 -0.049 0.000 1.004 409 K CB 0.469 32.947 32.500 -0.035 0.000 0.873 409 K HN 0.132 nan 8.250 nan 0.000 0.523 410 D N 2.173 122.565 120.400 -0.014 0.000 2.182 410 D HA -0.198 4.443 4.640 0.001 0.000 0.201 410 D C 1.716 178.018 176.300 0.003 0.000 0.986 410 D CA 1.308 55.308 54.000 -0.001 0.000 0.847 410 D CB 0.086 40.892 40.800 0.009 0.000 0.942 410 D HN 0.506 nan 8.370 nan 0.000 0.467 411 E N -0.024 120.174 120.200 -0.003 0.000 2.045 411 E HA -0.000 4.350 4.350 0.001 0.000 0.190 411 E C 2.263 178.851 176.600 -0.019 0.000 0.968 411 E CA 0.051 56.460 56.400 0.015 0.000 0.813 411 E CB 0.038 29.760 29.700 0.037 0.000 0.780 411 E HN 0.100 nan 8.360 nan 0.000 0.455 412 I N 1.424 121.941 120.570 -0.088 0.000 2.185 412 I HA -0.344 3.827 4.170 0.001 0.000 0.246 412 I C 2.322 178.397 176.117 -0.071 0.000 1.088 412 I CA 1.202 62.422 61.300 -0.133 0.000 1.347 412 I CB -0.413 37.502 38.000 -0.142 0.000 1.041 412 I HN 0.248 nan 8.210 nan 0.000 0.415 413 I N 0.617 121.161 120.570 -0.044 0.000 2.163 413 I HA -0.269 3.901 4.170 0.001 0.000 0.240 413 I C 2.869 178.984 176.117 -0.004 0.000 1.081 413 I CA 1.733 63.018 61.300 -0.024 0.000 1.353 413 I CB -0.630 37.359 38.000 -0.019 0.000 1.054 413 I HN 0.316 nan 8.210 nan 0.000 0.407 414 S N 0.420 116.125 115.700 0.008 0.000 2.383 414 S HA -0.191 4.279 4.470 0.001 0.000 0.229 414 S C 2.098 176.721 174.600 0.039 0.000 1.030 414 S CA 1.720 59.934 58.200 0.025 0.000 1.002 414 S CB -0.726 62.493 63.200 0.033 0.000 0.829 414 S HN 0.356 nan 8.310 nan 0.000 0.467 415 S N 1.841 117.571 115.700 0.049 0.000 2.368 415 S HA 0.090 4.561 4.470 0.001 0.000 0.225 415 S C 1.780 176.409 174.600 0.049 0.000 1.030 415 S CA 1.376 59.627 58.200 0.085 0.000 0.999 415 S CB -0.437 62.834 63.200 0.119 0.000 0.844 415 S HN 0.399 nan 8.310 nan 0.000 0.459 416 M N 1.750 121.358 119.600 0.013 0.000 2.706 416 M HA -0.031 4.450 4.480 0.001 0.000 0.251 416 M C 0.753 177.066 176.300 0.022 0.000 1.070 416 M CA 0.532 55.836 55.300 0.007 0.000 1.073 416 M CB -1.397 31.198 32.600 -0.009 0.000 1.449 416 M HN 0.123 nan 8.290 nan 0.000 0.531 417 D N 0.736 121.153 120.400 0.029 0.000 2.221 417 D HA -0.089 4.551 4.640 0.001 0.000 0.204 417 D C 0.916 177.238 176.300 0.036 0.000 0.982 417 D CA 0.850 54.867 54.000 0.030 0.000 0.857 417 D CB -0.048 40.770 40.800 0.030 0.000 0.934 417 D HN 0.285 nan 8.370 nan 0.000 0.475 418 N N 0.028 118.753 118.700 0.042 0.000 2.457 418 N HA 0.096 4.836 4.740 0.001 0.000 0.250 418 N C -2.202 173.341 175.510 0.056 0.000 0.982 418 N CA -1.761 51.319 53.050 0.050 0.000 0.941 418 N CB 1.968 40.487 38.487 0.053 0.000 1.120 418 N HN -0.227 nan 8.380 nan 0.000 0.505 419 P HA -0.031 nan 4.420 nan 0.000 0.224 419 P C -0.253 177.136 177.300 0.149 0.000 1.142 419 P CA 1.102 64.266 63.100 0.106 0.000 0.778 419 P CB 0.414 32.187 31.700 0.122 0.000 0.764 420 D N -3.068 117.408 120.400 0.126 0.000 2.433 420 D HA 0.010 4.650 4.640 0.001 0.000 0.211 420 D C 0.452 176.791 176.300 0.066 0.000 1.114 420 D CA -0.062 54.030 54.000 0.154 0.000 0.837 420 D CB -0.606 40.297 40.800 0.172 0.000 0.984 420 D HN 0.068 nan 8.370 nan 0.000 0.505 421 N N 2.309 121.038 118.700 0.049 0.000 2.412 421 N HA -0.106 4.634 4.740 0.001 0.000 0.258 421 N C 1.303 176.845 175.510 0.052 0.000 1.236 421 N CA 0.339 53.433 53.050 0.072 0.000 0.882 421 N CB 0.962 39.510 38.487 0.101 0.000 1.066 421 N HN 0.048 nan 8.380 nan 0.000 0.465 422 E N 3.586 123.848 120.200 0.104 0.000 2.284 422 E HA -0.255 4.095 4.350 0.001 0.000 0.200 422 E C 1.673 178.311 176.600 0.065 0.000 1.008 422 E CA 0.690 57.144 56.400 0.090 0.000 0.829 422 E CB -0.484 29.288 29.700 0.120 0.000 0.744 422 E HN 0.687 nan 8.360 nan 0.000 0.491 423 I N 1.621 122.217 120.570 0.043 0.000 2.248 423 I HA -0.238 3.932 4.170 0.001 0.000 0.248 423 I C 2.397 178.421 176.117 -0.156 0.000 1.107 423 I CA 0.856 61.976 61.300 -0.300 0.000 1.373 423 I CB -0.407 37.306 38.000 -0.478 0.000 1.055 423 I HN 0.058 nan 8.210 nan 0.000 0.418 424 V N 0.487 120.305 119.914 -0.161 0.000 2.568 424 V HA -0.244 3.877 4.120 0.001 0.000 0.253 424 V C 2.308 178.262 176.094 -0.232 0.000 1.072 424 V CA 2.005 64.162 62.300 -0.237 0.000 1.084 424 V CB -0.404 31.143 31.823 -0.459 0.000 0.676 424 V HN 0.500 nan 8.190 nan 0.000 0.469 425 L N -1.210 119.936 121.223 -0.129 0.000 2.291 425 L HA -0.099 4.242 4.340 0.001 0.000 0.214 425 L C 2.324 179.197 176.870 0.005 0.000 1.120 425 L CA 1.870 56.727 54.840 0.030 0.000 0.799 425 L CB -0.636 41.497 42.059 0.124 0.000 0.925 425 L HN 0.558 nan 8.230 nan 0.000 0.446 426 Y N 0.767 120.976 120.300 -0.151 0.000 2.176 426 Y HA -0.117 4.434 4.550 0.001 0.000 0.291 426 Y C 2.339 178.063 175.900 -0.293 0.000 1.122 426 Y CA 1.165 59.158 58.100 -0.178 0.000 1.128 426 Y CB -0.104 38.248 38.460 -0.180 0.000 1.005 426 Y HN -0.077 nan 8.280 nan 0.000 0.509 427 L N -0.349 120.804 121.223 -0.117 0.000 2.051 427 L HA -0.312 4.029 4.340 0.001 0.000 0.214 427 L C 2.400 178.985 176.870 -0.475 0.000 1.076 427 L CA 1.437 56.153 54.840 -0.207 0.000 0.758 427 L CB -0.671 41.383 42.059 -0.008 0.000 0.890 427 L HN 0.337 nan 8.230 nan 0.000 0.433 428 M N -0.775 118.523 119.600 -0.504 0.000 2.296 428 M HA -0.133 4.347 4.480 0.001 0.000 0.265 428 M C 2.240 178.007 176.300 -0.889 0.000 1.064 428 M CA 1.505 56.330 55.300 -0.792 0.000 1.109 428 M CB -0.799 31.029 32.600 -1.287 0.000 1.396 428 M HN 0.286 nan 8.290 nan 0.000 0.430 429 L N -1.113 119.666 121.223 -0.739 0.000 2.095 429 L HA -0.153 4.188 4.340 0.001 0.000 0.204 429 L C 2.689 179.137 176.870 -0.703 0.000 1.080 429 L CA 0.670 55.106 54.840 -0.674 0.000 0.759 429 L CB -0.420 41.286 42.059 -0.588 0.000 0.914 429 L HN 0.198 nan 8.230 nan 0.000 0.439 430 R N 0.272 120.225 120.500 -0.913 0.000 2.083 430 R HA -0.146 4.195 4.340 0.001 0.000 0.237 430 R C 2.245 178.100 176.300 -0.742 0.000 1.137 430 R CA 1.633 57.154 56.100 -0.966 0.000 0.951 430 R CB -0.971 28.375 30.300 -1.590 0.000 0.851 430 R HN 0.339 nan 8.270 nan 0.000 0.434 431 A N 0.445 122.823 122.820 -0.736 0.000 1.902 431 A HA -0.117 4.204 4.320 0.001 0.000 0.217 431 A C 2.531 179.972 177.584 -0.237 0.000 1.181 431 A CA 1.641 53.440 52.037 -0.397 0.000 0.623 431 A CB -0.649 18.168 19.000 -0.305 0.000 0.818 431 A HN 0.123 nan 8.150 nan 0.000 0.443 432 V N 0.541 120.250 119.914 -0.342 0.000 2.332 432 V HA -0.261 3.859 4.120 0.001 0.000 0.248 432 V C 2.214 178.318 176.094 0.016 0.000 1.055 432 V CA 2.423 64.596 62.300 -0.211 0.000 1.038 432 V CB -0.763 30.778 31.823 -0.469 0.000 0.651 432 V HN 0.503 nan 8.190 nan 0.000 0.450 433 D N -0.683 119.669 120.400 -0.079 0.000 2.144 433 D HA -0.154 4.487 4.640 0.001 0.000 0.199 433 D C 2.311 178.665 176.300 0.091 0.000 0.984 433 D CA 1.087 55.120 54.000 0.055 0.000 0.834 433 D CB -0.209 40.564 40.800 -0.044 0.000 0.955 433 D HN 0.315 nan 8.370 nan 0.000 0.465 434 R N -0.531 119.981 120.500 0.020 0.000 2.070 434 R HA -0.146 4.195 4.340 0.001 0.000 0.232 434 R C 2.344 178.708 176.300 0.107 0.000 1.138 434 R CA 1.086 57.216 56.100 0.049 0.000 0.936 434 R CB -0.640 29.678 30.300 0.029 0.000 0.839 434 R HN 0.163 nan 8.270 nan 0.000 0.429 435 F N 1.010 120.950 119.950 -0.017 0.000 2.087 435 F HA -0.363 4.165 4.527 0.001 0.000 0.299 435 F C 2.472 178.264 175.800 -0.013 0.000 1.100 435 F CA 2.307 60.307 58.000 -0.000 0.000 1.226 435 F CB -0.460 38.557 39.000 0.029 0.000 0.983 435 F HN 0.257 nan 8.300 nan 0.000 0.479 436 H N 0.358 119.538 119.070 0.183 0.000 2.489 436 H HA -0.147 4.409 4.556 0.001 0.000 0.293 436 H C 2.256 177.497 175.328 -0.145 0.000 1.066 436 H CA 1.509 57.492 56.048 -0.108 0.000 1.305 436 H CB -0.081 29.400 29.762 -0.468 0.000 1.386 436 H HN 0.394 nan 8.280 nan 0.000 0.551 437 K N 0.471 120.803 120.400 -0.114 0.000 1.991 437 K HA -0.122 4.199 4.320 0.001 0.000 0.207 437 K C 2.327 178.808 176.600 -0.199 0.000 1.045 437 K CA 1.235 57.431 56.287 -0.152 0.000 0.937 437 K CB 0.185 32.662 32.500 -0.039 0.000 0.720 437 K HN 0.409 nan 8.250 nan 0.000 0.438 438 Q N 0.300 119.992 119.800 -0.181 0.000 1.967 438 Q HA -0.134 4.206 4.340 0.001 0.000 0.202 438 Q C 0.225 176.062 176.000 -0.271 0.000 0.985 438 Q CA 1.126 56.806 55.803 -0.207 0.000 0.839 438 Q CB -0.033 28.581 28.738 -0.208 0.000 0.906 438 Q HN 0.338 nan 8.270 nan 0.000 0.423 439 Q N 0.375 119.936 119.800 -0.398 0.000 2.256 439 Q HA 0.273 4.614 4.340 0.001 0.000 0.254 439 Q C 0.272 176.081 176.000 -0.318 0.000 0.916 439 Q CA 0.036 55.624 55.803 -0.359 0.000 0.932 439 Q CB 1.043 29.476 28.738 -0.508 0.000 1.207 439 Q HN 0.338 nan 8.270 nan 0.000 0.426 440 G N 3.039 111.689 108.800 -0.251 0.000 3.337 440 G HA2 0.035 3.996 3.960 0.001 0.000 0.226 440 G HA3 0.035 3.996 3.960 0.001 0.000 0.226 440 G C 0.381 175.161 174.900 -0.201 0.000 1.295 440 G CA -0.053 44.861 45.100 -0.310 0.000 1.427 440 G HN 0.619 nan 8.290 nan 0.000 0.535 441 R N -1.981 118.466 120.500 -0.088 0.000 2.781 441 R HA 0.564 4.905 4.340 0.001 0.000 0.268 441 R C -1.528 174.950 176.300 0.297 0.000 1.047 441 R CA -1.102 55.098 56.100 0.166 0.000 0.925 441 R CB 1.051 31.451 30.300 0.166 0.000 1.246 441 R HN 0.025 nan 8.270 nan 0.000 0.456 442 Y N -0.157 120.406 120.300 0.439 0.000 2.419 442 Y HA 0.448 4.998 4.550 0.001 0.000 0.328 442 Y C -1.983 174.050 175.900 0.222 0.000 1.162 442 Y CA -2.448 55.861 58.100 0.349 0.000 1.174 442 Y CB 1.835 40.434 38.460 0.232 0.000 1.228 442 Y HN 0.395 nan 8.280 nan 0.000 0.473 443 P HA 0.036 nan 4.420 nan 0.000 0.269 443 P C 0.408 177.707 177.300 -0.002 0.000 1.209 443 P CA 0.850 63.792 63.100 -0.263 0.000 0.776 443 P CB 0.510 31.850 31.700 -0.599 0.000 0.876 444 G N 1.531 110.318 108.800 -0.022 0.000 2.352 444 G HA2 -0.339 3.621 3.960 0.001 0.000 0.295 444 G HA3 -0.339 3.621 3.960 0.001 0.000 0.295 444 G C 1.071 175.946 174.900 -0.041 0.000 0.991 444 G CA 0.565 45.644 45.100 -0.035 0.000 0.796 444 G HN 0.400 nan 8.290 nan 0.000 0.511 445 V N -0.216 119.697 119.914 -0.002 0.000 2.317 445 V HA -0.149 3.971 4.120 0.001 0.000 0.251 445 V C 1.928 177.975 176.094 -0.078 0.000 1.065 445 V CA 2.260 64.556 62.300 -0.007 0.000 1.049 445 V CB -0.392 31.464 31.823 0.054 0.000 0.651 445 V HN 0.549 nan 8.190 nan 0.000 0.450 446 S N -0.169 115.413 115.700 -0.197 0.000 2.651 446 S HA 0.293 4.763 4.470 0.001 0.000 0.291 446 S C 0.823 175.257 174.600 -0.277 0.000 1.141 446 S CA -0.494 57.528 58.200 -0.296 0.000 1.027 446 S CB 1.462 64.250 63.200 -0.686 0.000 1.043 446 S HN 0.476 nan 8.310 nan 0.000 0.530 447 N N 1.139 119.755 118.700 -0.140 0.000 2.188 447 N HA -0.139 4.602 4.740 0.001 0.000 0.184 447 N C 1.374 176.862 175.510 -0.036 0.000 1.018 447 N CA 1.262 54.280 53.050 -0.052 0.000 0.858 447 N CB -0.569 37.929 38.487 0.019 0.000 0.989 447 N HN 0.829 nan 8.380 nan 0.000 0.426 448 Y N 0.260 120.577 120.300 0.029 0.000 2.680 448 Y HA 0.093 4.643 4.550 0.001 0.000 0.303 448 Y C 1.263 177.184 175.900 0.035 0.000 1.166 448 Y CA 0.416 58.533 58.100 0.028 0.000 1.344 448 Y CB -0.648 37.828 38.460 0.026 0.000 1.002 448 Y HN 0.125 nan 8.280 nan 0.000 0.537 449 Q N -0.148 119.500 119.800 -0.253 0.000 2.396 449 Q HA 0.041 4.382 4.340 0.001 0.000 0.220 449 Q C 2.184 178.173 176.000 -0.020 0.000 0.900 449 Q CA 0.714 56.454 55.803 -0.105 0.000 0.925 449 Q CB 0.077 28.690 28.738 -0.208 0.000 1.065 449 Q HN 0.403 nan 8.270 nan 0.000 0.535 450 V N 1.953 121.839 119.914 -0.047 0.000 2.226 450 V HA -0.388 3.733 4.120 0.001 0.000 0.254 450 V C 2.093 178.161 176.094 -0.043 0.000 1.065 450 V CA 2.408 64.686 62.300 -0.036 0.000 1.039 450 V CB -0.747 31.060 31.823 -0.027 0.000 0.653 450 V HN 0.393 nan 8.190 nan 0.000 0.450 451 E N -0.410 119.769 120.200 -0.035 0.000 2.045 451 E HA -0.300 4.051 4.350 0.001 0.000 0.212 451 E C 2.371 178.960 176.600 -0.018 0.000 1.039 451 E CA 1.984 58.356 56.400 -0.045 0.000 0.860 451 E CB -0.244 29.452 29.700 -0.007 0.000 0.776 451 E HN 0.619 nan 8.360 nan 0.000 0.467 452 E N 0.623 120.840 120.200 0.029 0.000 2.048 452 E HA -0.226 4.125 4.350 0.001 0.000 0.202 452 E C 1.809 178.457 176.600 0.079 0.000 1.021 452 E CA 1.599 58.035 56.400 0.059 0.000 0.825 452 E CB -0.474 29.282 29.700 0.094 0.000 0.756 452 E HN 0.331 nan 8.360 nan 0.000 0.454 453 D N 0.437 120.895 120.400 0.097 0.000 2.263 453 D HA -0.114 4.526 4.640 0.001 0.000 0.208 453 D C 1.861 178.190 176.300 0.049 0.000 0.971 453 D CA 0.299 54.383 54.000 0.140 0.000 0.867 453 D CB -0.201 40.656 40.800 0.095 0.000 0.929 453 D HN 0.159 nan 8.370 nan 0.000 0.492 454 I N 0.779 121.346 120.570 -0.005 0.000 2.208 454 I HA -0.161 4.009 4.170 0.001 0.000 0.245 454 I C 2.434 178.556 176.117 0.008 0.000 1.097 454 I CA 1.382 62.661 61.300 -0.034 0.000 1.363 454 I CB -1.510 36.425 38.000 -0.109 0.000 1.051 454 I HN 0.042 nan 8.210 nan 0.000 0.413 455 G N 0.705 109.523 108.800 0.030 0.000 2.411 455 G HA2 -0.153 3.808 3.960 0.001 0.000 0.213 455 G HA3 -0.153 3.808 3.960 0.001 0.000 0.213 455 G C 1.757 176.709 174.900 0.087 0.000 1.166 455 G CA 0.087 45.214 45.100 0.046 0.000 0.802 455 G HN 0.326 nan 8.290 nan 0.000 0.533 456 K N -0.312 120.174 120.400 0.144 0.000 2.063 456 K HA -0.057 4.263 4.320 0.001 0.000 0.208 456 K C 2.324 179.090 176.600 0.277 0.000 1.048 456 K CA 1.010 57.430 56.287 0.221 0.000 0.928 456 K CB -0.320 32.402 32.500 0.370 0.000 0.713 456 K HN 0.237 nan 8.250 nan 0.000 0.442 457 L N 1.955 123.322 121.223 0.241 0.000 2.027 457 L HA -0.134 4.207 4.340 0.001 0.000 0.206 457 L C 2.142 179.063 176.870 0.085 0.000 1.074 457 L CA 1.804 56.726 54.840 0.137 0.000 0.745 457 L CB -0.490 41.523 42.059 -0.076 0.000 0.898 457 L HN -0.019 nan 8.230 nan 0.000 0.433 458 K N -0.393 120.045 120.400 0.063 0.000 2.160 458 K HA -0.135 4.185 4.320 0.001 0.000 0.206 458 K C 2.018 178.654 176.600 0.061 0.000 1.047 458 K CA 1.624 57.941 56.287 0.050 0.000 0.930 458 K CB -0.302 32.223 32.500 0.042 0.000 0.720 458 K HN 0.464 nan 8.250 nan 0.000 0.450 459 S N 0.144 115.890 115.700 0.077 0.000 2.338 459 S HA -0.139 4.332 4.470 0.001 0.000 0.218 459 S C 2.293 176.942 174.600 0.082 0.000 1.032 459 S CA 1.338 59.581 58.200 0.070 0.000 0.999 459 S CB -0.583 62.657 63.200 0.068 0.000 0.905 459 S HN 0.400 nan 8.310 nan 0.000 0.439 460 C N 1.575 120.941 119.300 0.110 0.000 2.403 460 C HA -0.050 4.411 4.460 0.001 0.000 0.277 460 C C 2.530 177.595 174.990 0.124 0.000 1.248 460 C CA 0.449 59.537 59.018 0.116 0.000 1.762 460 C CB -1.539 26.294 27.740 0.154 0.000 2.014 460 C HN 0.516 nan 8.230 nan 0.000 0.486 461 L N 1.517 122.797 121.223 0.095 0.000 1.989 461 L HA -0.161 4.179 4.340 0.001 0.000 0.211 461 L C 2.559 179.527 176.870 0.164 0.000 1.071 461 L CA 2.513 57.422 54.840 0.115 0.000 0.749 461 L CB -1.244 40.846 42.059 0.052 0.000 0.890 461 L HN 0.327 nan 8.230 nan 0.000 0.431 462 T N -0.734 113.878 114.554 0.096 0.000 2.708 462 T HA -0.095 4.255 4.350 0.001 0.000 0.266 462 T C 1.774 176.508 174.700 0.057 0.000 1.037 462 T CA 1.153 63.289 62.100 0.060 0.000 1.146 462 T CB -1.164 67.727 68.868 0.039 0.000 0.865 462 T HN 0.564 nan 8.240 nan 0.000 0.435 463 G N 0.812 109.658 108.800 0.077 0.000 2.469 463 G HA2 -0.223 3.738 3.960 0.001 0.000 0.220 463 G HA3 -0.223 3.738 3.960 0.001 0.000 0.220 463 G C 1.341 176.299 174.900 0.097 0.000 1.136 463 G CA 0.782 45.922 45.100 0.066 0.000 0.759 463 G HN 0.503 nan 8.290 nan 0.000 0.562 464 F N 1.100 121.062 119.950 0.020 0.000 2.118 464 F HA 0.192 4.720 4.527 0.001 0.000 0.293 464 F C 2.425 178.289 175.800 0.106 0.000 1.102 464 F CA 0.777 58.814 58.000 0.062 0.000 1.247 464 F CB -0.433 38.576 39.000 0.015 0.000 1.017 464 F HN 0.025 nan 8.300 nan 0.000 0.475 465 L N 0.266 121.331 121.223 -0.262 0.000 2.081 465 L HA -0.261 4.079 4.340 0.001 0.000 0.212 465 L C 2.508 179.246 176.870 -0.220 0.000 1.080 465 L CA 1.675 56.312 54.840 -0.338 0.000 0.754 465 L CB -0.951 41.054 42.059 -0.090 0.000 0.893 465 L HN 0.325 nan 8.230 nan 0.000 0.433 466 Q N -0.381 119.345 119.800 -0.124 0.000 2.049 466 Q HA -0.219 4.121 4.340 0.001 0.000 0.198 466 Q C 2.153 178.081 176.000 -0.119 0.000 0.971 466 Q CA 1.162 56.910 55.803 -0.091 0.000 0.833 466 Q CB -0.103 28.603 28.738 -0.053 0.000 0.896 466 Q HN 0.453 nan 8.270 nan 0.000 0.434 467 E N 0.028 120.141 120.200 -0.146 0.000 2.171 467 E HA -0.212 4.139 4.350 0.001 0.000 0.197 467 E C 0.677 177.070 176.600 -0.345 0.000 0.997 467 E CA 1.126 57.383 56.400 -0.239 0.000 0.810 467 E CB 0.123 29.658 29.700 -0.276 0.000 0.738 467 E HN 0.427 nan 8.360 nan 0.000 0.467 468 Y N -1.032 119.110 120.300 -0.264 0.000 2.467 468 Y HA 0.294 4.845 4.550 0.001 0.000 0.250 468 Y C 0.823 176.613 175.900 -0.183 0.000 1.155 468 Y CA 0.218 58.184 58.100 -0.224 0.000 1.249 468 Y CB 1.330 39.609 38.460 -0.302 0.000 1.146 468 Y HN 0.065 nan 8.280 nan 0.000 0.524 469 G N 1.808 110.577 108.800 -0.052 0.000 2.415 469 G HA2 -0.263 3.698 3.960 0.001 0.000 0.283 469 G HA3 -0.263 3.698 3.960 0.001 0.000 0.283 469 G C -0.714 174.153 174.900 -0.056 0.000 1.014 469 G CA -0.218 44.850 45.100 -0.052 0.000 1.323 469 G HN 0.314 nan 8.290 nan 0.000 0.502 470 L N 1.264 122.435 121.223 -0.087 0.000 2.318 470 L HA 0.343 4.684 4.340 0.001 0.000 0.277 470 L C 1.579 178.414 176.870 -0.058 0.000 1.008 470 L CA -0.340 54.448 54.840 -0.086 0.000 0.846 470 L CB 1.606 43.578 42.059 -0.145 0.000 1.220 470 L HN 0.404 nan 8.230 nan 0.000 0.423 471 S N 0.612 116.290 115.700 -0.038 0.000 2.584 471 S HA -0.063 4.407 4.470 0.001 0.000 0.240 471 S C 0.861 175.453 174.600 -0.015 0.000 0.975 471 S CA -0.080 58.106 58.200 -0.023 0.000 0.949 471 S CB -0.859 62.331 63.200 -0.016 0.000 0.761 471 S HN 0.500 nan 8.310 nan 0.000 0.536 472 V N 0.824 120.727 119.914 -0.019 0.000 2.763 472 V HA 0.471 4.592 4.120 0.001 0.000 0.306 472 V C -0.147 175.950 176.094 0.005 0.000 1.059 472 V CA -0.908 61.387 62.300 -0.007 0.000 1.138 472 V CB -0.094 31.721 31.823 -0.013 0.000 0.940 472 V HN 0.491 nan 8.190 nan 0.000 0.489 473 M N 5.731 125.341 119.600 0.017 0.000 2.300 473 M HA 0.809 5.290 4.480 0.001 0.000 0.348 473 M C -1.051 175.278 176.300 0.048 0.000 1.151 473 M CA -0.159 55.160 55.300 0.031 0.000 1.046 473 M CB 1.714 34.333 32.600 0.033 0.000 1.647 473 M HN 0.394 nan 8.290 nan 0.000 0.451 474 V N 3.723 123.676 119.914 0.066 0.000 2.444 474 V HA 0.426 4.547 4.120 0.001 0.000 0.294 474 V C -0.145 176.045 176.094 0.160 0.000 1.022 474 V CA -0.958 61.407 62.300 0.109 0.000 0.850 474 V CB 1.522 33.393 31.823 0.080 0.000 0.992 474 V HN 0.892 nan 8.190 nan 0.000 0.426 475 K N 2.832 123.380 120.400 0.247 0.000 2.484 475 K HA 0.013 4.333 4.320 0.001 0.000 0.280 475 K C 0.509 177.188 176.600 0.132 0.000 1.013 475 K CA -0.133 56.248 56.287 0.157 0.000 1.029 475 K CB 0.567 33.125 32.500 0.097 0.000 0.902 475 K HN 0.569 nan 8.250 nan 0.000 0.481 476 D N 2.548 122.985 120.400 0.062 0.000 2.221 476 D HA -0.162 4.479 4.640 0.001 0.000 0.204 476 D C 0.963 177.286 176.300 0.038 0.000 0.982 476 D CA 1.147 55.181 54.000 0.057 0.000 0.857 476 D CB 0.115 40.937 40.800 0.037 0.000 0.934 476 D HN 0.480 nan 8.370 nan 0.000 0.475 477 D N -0.267 120.096 120.400 -0.061 0.000 2.116 477 D HA -0.197 4.444 4.640 0.001 0.000 0.193 477 D C 1.996 178.205 176.300 -0.151 0.000 0.998 477 D CA 0.914 54.815 54.000 -0.165 0.000 0.836 477 D CB -0.519 40.075 40.800 -0.344 0.000 0.951 477 D HN 0.426 nan 8.370 nan 0.000 0.449 478 Y N 0.753 121.095 120.300 0.071 0.000 2.207 478 Y HA -0.190 4.361 4.550 0.001 0.000 0.287 478 Y C 2.614 178.637 175.900 0.204 0.000 1.156 478 Y CA 0.410 58.602 58.100 0.154 0.000 1.182 478 Y CB -0.449 38.101 38.460 0.149 0.000 0.979 478 Y HN -0.150 nan 8.280 nan 0.000 0.521 479 V N -0.300 119.755 119.914 0.235 0.000 2.295 479 V HA -0.366 3.755 4.120 0.001 0.000 0.246 479 V C 2.185 178.382 176.094 0.173 0.000 1.049 479 V CA 2.451 64.845 62.300 0.157 0.000 1.024 479 V CB -0.880 30.995 31.823 0.086 0.000 0.648 479 V HN 0.559 nan 8.190 nan 0.000 0.447 480 H N -0.080 118.994 119.070 0.006 0.000 2.293 480 H HA -0.249 4.307 4.556 0.001 0.000 0.300 480 H C 2.443 177.703 175.328 -0.113 0.000 1.082 480 H CA 1.811 57.830 56.048 -0.049 0.000 1.308 480 H CB 0.238 29.960 29.762 -0.068 0.000 1.375 480 H HN 0.449 nan 8.280 nan 0.000 0.495 481 E N 0.316 120.448 120.200 -0.113 0.000 2.097 481 E HA -0.205 4.146 4.350 0.001 0.000 0.196 481 E C 1.916 178.102 176.600 -0.690 0.000 1.000 481 E CA 1.655 57.788 56.400 -0.445 0.000 0.804 481 E CB -0.474 28.995 29.700 -0.386 0.000 0.740 481 E HN 0.502 nan 8.360 nan 0.000 0.454 482 F N -0.416 119.351 119.950 -0.305 0.000 2.186 482 F HA -0.149 4.378 4.527 0.001 0.000 0.299 482 F C 2.483 178.265 175.800 -0.030 0.000 1.090 482 F CA 1.079 59.023 58.000 -0.094 0.000 1.307 482 F CB -0.337 38.721 39.000 0.096 0.000 1.019 482 F HN 0.191 nan 8.300 nan 0.000 0.489 483 C N -0.497 118.863 119.300 0.100 0.000 2.446 483 C HA -0.127 4.333 4.460 0.001 0.000 0.277 483 C C 2.839 177.821 174.990 -0.012 0.000 1.275 483 C CA 0.690 59.730 59.018 0.037 0.000 1.727 483 C CB -1.076 26.668 27.740 0.006 0.000 2.010 483 C HN 0.412 nan 8.230 nan 0.000 0.486 484 R N -0.044 120.412 120.500 -0.073 0.000 2.117 484 R HA -0.186 4.155 4.340 0.001 0.000 0.243 484 R C 2.017 178.236 176.300 -0.135 0.000 1.143 484 R CA 1.880 57.904 56.100 -0.126 0.000 0.968 484 R CB -0.598 29.549 30.300 -0.256 0.000 0.863 484 R HN 0.678 nan 8.270 nan 0.000 0.444 485 Y N -0.383 119.839 120.300 -0.130 0.000 2.207 485 Y HA -0.132 4.418 4.550 0.001 0.000 0.287 485 Y C 1.735 177.486 175.900 -0.249 0.000 1.156 485 Y CA 0.388 58.342 58.100 -0.244 0.000 1.182 485 Y CB -0.156 38.068 38.460 -0.394 0.000 0.979 485 Y HN 0.490 nan 8.280 nan 0.000 0.521 486 G N 0.158 108.940 108.800 -0.030 0.000 2.249 486 G HA2 -0.174 3.787 3.960 0.001 0.000 0.273 486 G HA3 -0.174 3.787 3.960 0.001 0.000 0.273 486 G C 0.578 175.383 174.900 -0.157 0.000 1.036 486 G CA 0.137 45.204 45.100 -0.054 0.000 0.824 486 G HN 1.181 nan 8.290 nan 0.000 0.504 487 A N -2.977 119.587 122.820 -0.427 0.000 2.799 487 A HA 0.187 4.508 4.320 0.001 0.000 0.287 487 A C 1.662 178.914 177.584 -0.553 0.000 1.484 487 A CA 1.900 53.422 52.037 -0.859 0.000 0.813 487 A CB -1.649 17.138 19.000 -0.355 0.000 1.009 487 A HN 2.593 nan 8.150 nan 0.000 0.545 488 A N -0.361 122.193 122.820 -0.443 0.000 2.386 488 A HA 0.528 4.848 4.320 0.001 0.000 0.248 488 A C 0.574 177.974 177.584 -0.305 0.000 1.082 488 A CA 0.632 52.504 52.037 -0.276 0.000 0.789 488 A CB 0.260 19.148 19.000 -0.187 0.000 1.025 488 A HN 0.959 nan 8.150 nan 0.000 0.490 489 E N 2.184 122.273 120.200 -0.186 0.000 2.683 489 E HA 0.348 4.699 4.350 0.001 0.000 0.224 489 E C -2.681 173.862 176.600 -0.095 0.000 1.046 489 E CA -1.900 54.411 56.400 -0.149 0.000 0.811 489 E CB 0.534 30.175 29.700 -0.098 0.000 1.296 489 E HN 0.388 nan 8.360 nan 0.000 0.421 490 P HA 0.023 nan 4.420 nan 0.000 0.267 490 P C 0.048 177.343 177.300 -0.008 0.000 1.205 490 P CA 0.138 63.208 63.100 -0.050 0.000 0.765 490 P CB 0.690 32.339 31.700 -0.085 0.000 0.828 491 H N 2.717 121.773 119.070 -0.024 0.000 2.353 491 H HA -0.183 4.374 4.556 0.001 0.000 0.298 491 H C 1.645 176.979 175.328 0.010 0.000 1.103 491 H CA 2.796 58.842 56.048 -0.003 0.000 1.293 491 H CB -0.173 29.588 29.762 -0.002 0.000 1.372 491 H HN 0.425 nan 8.280 nan 0.000 0.501 492 T N -1.221 113.412 114.554 0.132 0.000 2.881 492 T HA -0.107 4.244 4.350 0.001 0.000 0.270 492 T C 1.949 176.697 174.700 0.079 0.000 1.068 492 T CA 1.310 63.477 62.100 0.111 0.000 1.131 492 T CB -0.173 68.756 68.868 0.102 0.000 0.871 492 T HN 0.272 nan 8.240 nan 0.000 0.479 493 I N 1.710 122.305 120.570 0.042 0.000 2.500 493 I HA 0.162 4.333 4.170 0.001 0.000 0.252 493 I C 2.978 179.131 176.117 0.060 0.000 1.142 493 I CA 0.887 62.241 61.300 0.091 0.000 1.451 493 I CB -1.554 36.456 38.000 0.016 0.000 1.093 493 I HN 0.355 nan 8.210 nan 0.000 0.430 494 A N 0.989 123.773 122.820 -0.061 0.000 1.968 494 A HA 0.094 4.415 4.320 0.001 0.000 0.217 494 A C 2.525 180.037 177.584 -0.120 0.000 1.169 494 A CA 1.387 53.364 52.037 -0.101 0.000 0.638 494 A CB -0.406 18.478 19.000 -0.193 0.000 0.812 494 A HN 0.366 nan 8.150 nan 0.000 0.446 495 A N -1.202 121.516 122.820 -0.170 0.000 1.968 495 A HA 0.060 4.380 4.320 0.001 0.000 0.217 495 A C 1.987 179.543 177.584 -0.046 0.000 1.169 495 A CA 1.251 53.215 52.037 -0.122 0.000 0.638 495 A CB -0.629 18.325 19.000 -0.076 0.000 0.812 495 A HN 0.650 nan 8.150 nan 0.000 0.446 496 F N 0.369 120.235 119.950 -0.140 0.000 2.113 496 F HA -0.105 4.423 4.527 0.001 0.000 0.297 496 F C 1.903 177.573 175.800 -0.216 0.000 1.103 496 F CA 1.594 59.468 58.000 -0.210 0.000 1.248 496 F CB -0.122 38.671 39.000 -0.345 0.000 0.999 496 F HN 0.132 nan 8.300 nan 0.000 0.475 497 L N 0.086 121.422 121.223 0.189 0.000 2.046 497 L HA -0.159 4.182 4.340 0.001 0.000 0.208 497 L C 2.781 179.608 176.870 -0.073 0.000 1.077 497 L CA 1.378 56.275 54.840 0.094 0.000 0.747 497 L CB -1.478 40.648 42.059 0.112 0.000 0.896 497 L HN 0.380 nan 8.230 nan 0.000 0.432 498 G N -0.609 108.141 108.800 -0.082 0.000 2.475 498 G HA2 -0.246 3.715 3.960 0.001 0.000 0.220 498 G HA3 -0.246 3.715 3.960 0.001 0.000 0.220 498 G C 1.468 176.274 174.900 -0.156 0.000 1.125 498 G CA 0.891 45.926 45.100 -0.107 0.000 0.755 498 G HN 0.527 nan 8.290 nan 0.000 0.565 499 G N 0.749 109.411 108.800 -0.230 0.000 2.404 499 G HA2 0.176 4.136 3.960 0.001 0.000 0.213 499 G HA3 0.176 4.136 3.960 0.001 0.000 0.213 499 G C 2.064 176.772 174.900 -0.320 0.000 1.189 499 G CA 1.289 46.223 45.100 -0.277 0.000 0.796 499 G HN 0.588 nan 8.290 nan 0.000 0.532 500 A N 1.257 123.823 122.820 -0.422 0.000 1.908 500 A HA 0.226 4.546 4.320 0.001 0.000 0.218 500 A C 2.782 180.177 177.584 -0.315 0.000 1.181 500 A CA 2.399 54.176 52.037 -0.434 0.000 0.627 500 A CB -0.793 17.915 19.000 -0.487 0.000 0.818 500 A HN 0.753 nan 8.150 nan 0.000 0.445 501 A N -0.248 122.442 122.820 -0.216 0.000 1.898 501 A HA 0.210 4.531 4.320 0.001 0.000 0.216 501 A C 2.526 180.039 177.584 -0.119 0.000 1.181 501 A CA 2.014 53.970 52.037 -0.134 0.000 0.620 501 A CB -1.068 17.886 19.000 -0.076 0.000 0.819 501 A HN 1.045 nan 8.150 nan 0.000 0.442 502 A N -1.337 121.403 122.820 -0.134 0.000 1.865 502 A HA -0.229 4.091 4.320 0.001 0.000 0.217 502 A C 2.161 179.666 177.584 -0.130 0.000 1.191 502 A CA 1.861 53.826 52.037 -0.121 0.000 0.623 502 A CB -0.585 18.344 19.000 -0.118 0.000 0.826 502 A HN 0.430 nan 8.150 nan 0.000 0.444 503 Q N -0.551 119.154 119.800 -0.158 0.000 2.170 503 Q HA -0.158 4.182 4.340 0.001 0.000 0.203 503 Q C 1.906 177.817 176.000 -0.149 0.000 0.976 503 Q CA 1.420 57.123 55.803 -0.166 0.000 0.858 503 Q CB -0.282 28.330 28.738 -0.210 0.000 0.907 503 Q HN 0.659 nan 8.270 nan 0.000 0.433 504 E N -0.438 119.689 120.200 -0.121 0.000 2.106 504 E HA -0.089 4.262 4.350 0.001 0.000 0.192 504 E C 2.127 178.695 176.600 -0.054 0.000 0.984 504 E CA 0.617 56.995 56.400 -0.037 0.000 0.806 504 E CB -0.204 29.552 29.700 0.093 0.000 0.750 504 E HN 0.144 nan 8.360 nan 0.000 0.458 505 V N 1.471 121.342 119.914 -0.073 0.000 2.515 505 V HA -0.180 3.941 4.120 0.001 0.000 0.250 505 V C 2.288 178.315 176.094 -0.112 0.000 1.058 505 V CA 1.118 63.369 62.300 -0.082 0.000 1.064 505 V CB -0.337 31.442 31.823 -0.074 0.000 0.675 505 V HN 0.217 nan 8.190 nan 0.000 0.461 506 I N -0.602 119.877 120.570 -0.152 0.000 2.546 506 I HA -0.171 4.000 4.170 0.001 0.000 0.255 506 I C 2.400 178.414 176.117 -0.172 0.000 1.163 506 I CA 1.204 62.359 61.300 -0.241 0.000 1.457 506 I CB -0.328 37.456 38.000 -0.360 0.000 1.092 506 I HN 0.277 nan 8.210 nan 0.000 0.434 507 K N 0.924 121.273 120.400 -0.085 0.000 2.097 507 K HA -0.069 4.252 4.320 0.001 0.000 0.205 507 K C 2.041 178.669 176.600 0.047 0.000 1.050 507 K CA 1.194 57.505 56.287 0.039 0.000 0.938 507 K CB 0.011 32.543 32.500 0.053 0.000 0.718 507 K HN 0.267 nan 8.250 nan 0.000 0.442 508 I N 0.746 121.281 120.570 -0.059 0.000 2.202 508 I HA -0.273 3.897 4.170 0.001 0.000 0.242 508 I C 2.178 178.314 176.117 0.032 0.000 1.091 508 I CA 1.228 62.485 61.300 -0.072 0.000 1.368 508 I CB -0.217 37.699 38.000 -0.140 0.000 1.058 508 I HN 0.086 nan 8.210 nan 0.000 0.410 509 I N 0.645 121.192 120.570 -0.038 0.000 2.090 509 I HA -0.297 3.874 4.170 0.001 0.000 0.236 509 I C 2.771 178.854 176.117 -0.058 0.000 1.064 509 I CA 2.155 63.424 61.300 -0.052 0.000 1.324 509 I CB -0.697 37.238 38.000 -0.108 0.000 1.044 509 I HN 0.354 nan 8.210 nan 0.000 0.399 510 T N -1.905 112.579 114.554 -0.117 0.000 3.007 510 T HA -0.125 4.226 4.350 0.001 0.000 0.270 510 T C 1.084 175.774 174.700 -0.016 0.000 1.107 510 T CA 0.646 62.678 62.100 -0.113 0.000 1.118 510 T CB -0.300 68.444 68.868 -0.207 0.000 0.889 510 T HN 0.331 nan 8.240 nan 0.000 0.506 511 K N 0.712 121.139 120.400 0.045 0.000 3.160 511 K HA -0.165 4.156 4.320 0.001 0.000 0.280 511 K C -0.366 176.251 176.600 0.028 0.000 1.154 511 K CA 0.598 56.905 56.287 0.034 0.000 0.822 511 K CB -1.441 31.019 32.500 -0.068 0.000 1.239 511 K HN 0.666 nan 8.250 nan 0.000 0.489 512 Q N -0.279 119.590 119.800 0.114 0.000 2.345 512 Q HA 0.657 4.998 4.340 0.001 0.000 0.268 512 Q C -0.155 176.019 176.000 0.289 0.000 1.054 512 Q CA -0.938 54.917 55.803 0.087 0.000 0.835 512 Q CB 1.038 29.820 28.738 0.074 0.000 1.339 512 Q HN 0.087 nan 8.270 nan 0.000 0.447 513 F N -1.650 118.419 119.950 0.199 0.000 2.183 513 F HA -0.284 4.243 4.527 0.001 0.000 0.318 513 F C -0.678 175.175 175.800 0.087 0.000 0.517 513 F CA -0.313 57.769 58.000 0.137 0.000 0.912 513 F CB -0.944 38.109 39.000 0.089 0.000 4.135 513 F HN 0.258 nan 8.300 nan 0.000 0.137 514 V N 2.097 122.183 119.914 0.286 0.000 2.555 514 V HA 0.642 4.762 4.120 0.001 0.000 0.302 514 V C 0.235 176.416 176.094 0.146 0.000 1.038 514 V CA -0.629 61.777 62.300 0.176 0.000 0.887 514 V CB 1.548 33.445 31.823 0.123 0.000 0.991 514 V HN 0.739 nan 8.190 nan 0.000 0.434 515 I N 1.486 122.123 120.570 0.112 0.000 2.834 515 I HA 0.635 4.805 4.170 0.001 0.000 0.305 515 I C 0.178 176.377 176.117 0.136 0.000 1.008 515 I CA -0.576 60.784 61.300 0.099 0.000 1.273 515 I CB 0.908 38.865 38.000 -0.072 0.000 1.432 515 I HN 0.643 nan 8.210 nan 0.000 0.557 516 F N 1.248 121.162 119.950 -0.059 0.000 2.450 516 F HA 0.324 4.852 4.527 0.001 0.000 0.339 516 F C 1.016 176.813 175.800 -0.005 0.000 1.146 516 F CA -0.683 57.298 58.000 -0.032 0.000 1.267 516 F CB 0.038 39.010 39.000 -0.047 0.000 1.178 516 F HN 0.497 nan 8.300 nan 0.000 0.585 517 N N 1.164 119.868 118.700 0.007 0.000 2.370 517 N HA -0.017 4.724 4.740 0.001 0.000 0.198 517 N C -0.126 175.324 175.510 -0.100 0.000 1.156 517 N CA 0.312 53.315 53.050 -0.078 0.000 0.839 517 N CB -0.227 38.267 38.487 0.012 0.000 0.989 517 N HN 0.916 nan 8.380 nan 0.000 0.468 518 N N -2.019 116.599 118.700 -0.137 0.000 2.621 518 N HA -0.077 4.664 4.740 0.001 0.000 0.362 518 N C -1.185 174.374 175.510 0.081 0.000 0.552 518 N CA 0.183 53.204 53.050 -0.049 0.000 1.703 518 N CB 0.059 38.577 38.487 0.051 0.000 1.399 518 N HN -0.109 nan 8.380 nan 0.000 1.904 519 T N 0.687 115.388 114.554 0.245 0.000 2.848 519 T HA 0.468 4.819 4.350 0.001 0.000 0.285 519 T C -1.537 173.407 174.700 0.406 0.000 0.995 519 T CA -0.257 62.005 62.100 0.271 0.000 0.970 519 T CB 1.838 70.821 68.868 0.192 0.000 0.976 519 T HN 0.274 nan 8.240 nan 0.000 0.441 520 Y N 3.390 123.791 120.300 0.169 0.000 2.352 520 Y HA 0.714 5.265 4.550 0.001 0.000 0.339 520 Y C -1.174 174.794 175.900 0.112 0.000 0.992 520 Y CA -1.464 56.672 58.100 0.060 0.000 1.100 520 Y CB 0.724 39.041 38.460 -0.239 0.000 1.192 520 Y HN 0.576 nan 8.280 nan 0.000 0.458 521 I N 7.236 127.599 120.570 -0.345 0.000 2.465 521 I HA 0.271 4.442 4.170 0.001 0.000 0.291 521 I C -1.556 174.366 176.117 -0.324 0.000 1.014 521 I CA -1.063 60.163 61.300 -0.123 0.000 1.093 521 I CB 1.708 39.797 38.000 0.147 0.000 1.267 521 I HN 0.567 nan 8.210 nan 0.000 0.431 522 Y N 5.363 125.479 120.300 -0.307 0.000 2.393 522 Y HA 0.612 5.163 4.550 0.001 0.000 0.341 522 Y C -0.529 175.228 175.900 -0.238 0.000 0.988 522 Y CA -0.911 56.977 58.100 -0.353 0.000 1.078 522 Y CB 2.067 40.274 38.460 -0.423 0.000 1.203 522 Y HN 0.489 nan 8.280 nan 0.000 0.453 523 S N 3.810 119.000 115.700 -0.849 0.000 2.669 523 S HA 0.413 4.884 4.470 0.001 0.000 0.315 523 S C 0.727 174.695 174.600 -1.053 0.000 1.106 523 S CA -0.013 57.742 58.200 -0.742 0.000 1.107 523 S CB 0.267 63.278 63.200 -0.314 0.000 0.990 523 S HN 1.104 nan 8.310 nan 0.000 0.471 524 G N 4.081 112.241 108.800 -1.066 0.000 2.744 524 G HA2 -0.053 3.908 3.960 0.001 0.000 0.211 524 G HA3 -0.053 3.908 3.960 0.001 0.000 0.211 524 G C 1.085 175.796 174.900 -0.315 0.000 1.143 524 G CA 0.271 44.970 45.100 -0.667 0.000 0.788 524 G HN 0.695 nan 8.290 nan 0.000 0.534 525 M N 1.344 120.777 119.600 -0.278 0.000 2.156 525 M HA -0.044 4.436 4.480 0.001 0.000 0.264 525 M C 2.180 178.413 176.300 -0.111 0.000 1.067 525 M CA 1.951 57.168 55.300 -0.139 0.000 1.131 525 M CB 0.236 32.789 32.600 -0.078 0.000 1.368 525 M HN 0.255 nan 8.290 nan 0.000 0.416 526 S N -1.606 114.016 115.700 -0.131 0.000 2.629 526 S HA 0.173 4.644 4.470 0.001 0.000 0.236 526 S C 0.389 174.943 174.600 -0.076 0.000 1.010 526 S CA -0.455 57.698 58.200 -0.078 0.000 0.981 526 S CB 0.462 63.636 63.200 -0.044 0.000 0.919 526 S HN 0.571 nan 8.310 nan 0.000 0.514 527 Q N 1.722 121.443 119.800 -0.132 0.000 2.457 527 Q HA -0.153 4.188 4.340 0.001 0.000 0.283 527 Q C 0.135 176.144 176.000 0.015 0.000 1.234 527 Q CA 1.567 57.345 55.803 -0.041 0.000 0.877 527 Q CB -2.796 25.962 28.738 0.032 0.000 1.250 527 Q HN 0.967 nan 8.270 nan 0.000 0.481 528 T N -3.206 111.319 114.554 -0.048 0.000 2.949 528 T HA 0.829 5.180 4.350 0.001 0.000 0.287 528 T C 0.232 174.932 174.700 0.000 0.000 1.034 528 T CA -0.032 62.069 62.100 0.001 0.000 1.018 528 T CB 2.671 71.529 68.868 -0.016 0.000 1.135 528 T HN 0.391 nan 8.240 nan 0.000 0.532 529 S N -0.704 114.998 115.700 0.003 0.000 2.588 529 S HA 0.866 5.336 4.470 0.001 0.000 0.269 529 S C -1.218 173.296 174.600 -0.143 0.000 1.157 529 S CA -0.490 57.651 58.200 -0.097 0.000 0.824 529 S CB 1.221 64.435 63.200 0.024 0.000 1.126 529 S HN 1.990 nan 8.310 nan 0.000 0.464 530 A N 0.686 123.311 122.820 -0.324 0.000 2.601 530 A HA 0.843 5.163 4.320 0.001 0.000 0.291 530 A C -0.781 176.594 177.584 -0.348 0.000 1.075 530 A CA -0.758 51.102 52.037 -0.295 0.000 0.671 530 A CB 1.174 19.963 19.000 -0.352 0.000 1.277 530 A HN 1.076 nan 8.150 nan 0.000 0.417 531 T N 0.658 114.979 114.554 -0.388 0.000 2.887 531 T HA 0.791 5.142 4.350 0.001 0.000 0.288 531 T C -1.141 173.237 174.700 -0.537 0.000 1.021 531 T CA -0.014 61.976 62.100 -0.183 0.000 1.000 531 T CB 0.635 69.552 68.868 0.081 0.000 1.034 531 T HN 0.432 nan 8.240 nan 0.000 0.467 532 F N 0.406 120.400 119.950 0.074 0.000 2.626 532 F HA 0.467 4.994 4.527 0.001 0.000 0.311 532 F C 0.118 175.924 175.800 0.010 0.000 1.088 532 F CA -1.158 56.849 58.000 0.011 0.000 0.949 532 F CB 2.056 41.019 39.000 -0.063 0.000 1.322 532 F HN 0.303 nan 8.300 nan 0.000 0.461 533 Q N 2.543 122.462 119.800 0.198 0.000 2.340 533 Q HA 0.644 4.984 4.340 0.001 0.000 0.259 533 Q C -1.032 175.003 176.000 0.058 0.000 0.964 533 Q CA -0.301 55.563 55.803 0.102 0.000 0.900 533 Q CB 1.582 30.366 28.738 0.077 0.000 1.228 533 Q HN 0.518 nan 8.270 nan 0.000 0.449 534 L N 0.000 121.239 121.223 0.027 0.000 2.949 534 L HA 0.000 4.341 4.340 0.001 0.000 0.249 534 L CA 0.000 54.820 54.840 -0.033 0.000 0.813 534 L CB 0.000 41.981 42.059 -0.130 0.000 0.961 534 L HN 0.000 nan 8.230 nan 0.000 0.502