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 2uyt_1_A DATA FIRST_RESID 2 DATA SEQUENCE TFRNCVAVDL GASSGRVMLA RYERECRSLT LREIHRFNNG LHSQNGYVTW DATA SEQUENCE DVDSLESAIR LGLNKVcAAG IAIDSIGIDT WGVDFVLLDQ QGQRVGLPVA DATA SEQUENCE YRDSRTNGLM AQAQQQLGKR DIYQRSGIQF LPFNTLYQLR ALTEQQPELI DATA SEQUENCE PHIAHALLMP DYFSYRLTGK MNWEYTNATT TQLVNINSDD WDESLLAWSG DATA SEQUENCE ANKAWFGRPT HPGNVIGHWI cPQGNEIPVV AVASHDTASA VIASPLNGSR DATA SEQUENCE AAYLSSGTWS LMGFESQTPF TNDTALAANI TNEGGAEGRY RVLKNIMGLW DATA SEQUENCE LLQRVLQERQ INDLPALIAA TQALPACRFI INPNDDRFIN PDEMCSEIQA DATA SEQUENCE ACREMAQPIP ESDAELARCI FDSLALLYAD VLHELAQLRG EDFSQLHIVG DATA SEQUENCE GGCQNTLLNQ LCADACGIRV IAGPVEASTL GNIGIQLMTL DELNNVDDFR DATA SEQUENCE QVVSTTANLT TFTPNPDSEI AHYVALIHS 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.656 174.700 -0.074 0.000 1.109 2 T CA 0.000 62.020 62.100 -0.133 0.000 1.349 2 T CB 0.000 68.850 68.868 -0.030 0.000 0.612 3 F N 2.671 122.619 119.950 -0.005 0.000 2.471 3 F HA 0.767 5.265 4.527 -0.049 0.000 0.353 3 F C 0.237 176.062 175.800 0.042 0.000 1.113 3 F CA -1.060 56.939 58.000 -0.001 0.000 1.262 3 F CB 0.554 39.547 39.000 -0.010 0.000 1.146 3 F HN -0.295 nan 8.300 nan 0.000 0.578 4 R N 2.464 123.101 120.500 0.229 0.000 2.474 4 R HA 0.358 4.669 4.340 -0.048 0.000 0.295 4 R C -1.010 175.435 176.300 0.242 0.000 0.980 4 R CA -0.915 55.284 56.100 0.165 0.000 0.934 4 R CB 1.229 31.629 30.300 0.166 0.000 1.101 4 R HN 0.720 nan 8.270 nan 0.000 0.469 5 N N 1.719 120.524 118.700 0.176 0.000 2.511 5 N HA 0.241 4.952 4.740 -0.048 0.000 0.249 5 N C -0.865 174.715 175.510 0.116 0.000 0.971 5 N CA -0.199 52.955 53.050 0.173 0.000 0.938 5 N CB 1.460 40.051 38.487 0.173 0.000 1.131 5 N HN 0.383 nan 8.380 nan 0.000 0.505 6 C N 1.690 121.053 119.300 0.105 0.000 2.417 6 C HA 0.515 4.946 4.460 -0.048 0.000 0.324 6 C C 0.562 175.581 174.990 0.048 0.000 1.240 6 C CA -0.762 58.293 59.018 0.063 0.000 1.632 6 C CB 1.320 29.085 27.740 0.041 0.000 2.241 6 C HN 0.368 nan 8.230 nan 0.000 0.499 7 V N 3.108 123.037 119.914 0.026 0.000 2.398 7 V HA 0.694 4.785 4.120 -0.048 0.000 0.286 7 V C 0.417 176.502 176.094 -0.015 0.000 1.026 7 V CA -0.089 62.217 62.300 0.010 0.000 0.868 7 V CB 1.376 33.196 31.823 -0.005 0.000 0.982 7 V HN 1.046 nan 8.190 nan 0.000 0.443 8 A N 5.008 127.822 122.820 -0.010 0.000 2.304 8 A HA 0.807 5.098 4.320 -0.048 0.000 0.323 8 A C -0.680 176.890 177.584 -0.024 0.000 1.195 8 A CA -0.512 51.510 52.037 -0.024 0.000 0.826 8 A CB 1.346 20.336 19.000 -0.017 0.000 1.184 8 A HN 0.638 nan 8.150 nan 0.000 0.496 9 V N 2.835 122.725 119.914 -0.039 0.000 2.370 9 V HA 0.371 4.462 4.120 -0.048 0.000 0.283 9 V C -0.711 175.362 176.094 -0.035 0.000 1.023 9 V CA -0.300 61.980 62.300 -0.033 0.000 0.857 9 V CB 1.358 33.142 31.823 -0.065 0.000 0.985 9 V HN 0.935 nan 8.190 nan 0.000 0.443 10 D N 5.119 125.497 120.400 -0.036 0.000 2.462 10 D HA 0.438 5.049 4.640 -0.048 0.000 0.245 10 D C -0.780 175.497 176.300 -0.039 0.000 1.122 10 D CA -0.276 53.705 54.000 -0.032 0.000 0.864 10 D CB 1.047 41.828 40.800 -0.030 0.000 1.098 10 D HN 0.404 nan 8.370 nan 0.000 0.541 11 L N 3.537 124.769 121.223 0.016 0.000 2.265 11 L HA 0.702 5.013 4.340 -0.048 0.000 0.289 11 L C 1.040 178.072 176.870 0.270 0.000 1.033 11 L CA -0.900 54.002 54.840 0.103 0.000 0.814 11 L CB 1.652 43.809 42.059 0.165 0.000 1.203 11 L HN 0.398 nan 8.230 nan 0.000 0.423 12 G N 1.089 109.990 108.800 0.169 0.000 2.521 12 G HA2 0.509 4.440 3.960 -0.048 0.000 0.323 12 G HA3 0.509 4.440 3.960 -0.048 0.000 0.323 12 G C 0.743 175.661 174.900 0.030 0.000 1.211 12 G CA 0.050 45.269 45.100 0.199 0.000 0.979 12 G HN 0.678 nan 8.290 nan 0.000 0.490 13 A N -0.414 122.390 122.820 -0.028 0.000 2.019 13 A HA 0.002 4.293 4.320 -0.048 0.000 0.219 13 A C 2.440 180.039 177.584 0.025 0.000 1.164 13 A CA 2.604 54.547 52.037 -0.158 0.000 0.644 13 A CB -0.443 18.612 19.000 0.092 0.000 0.805 13 A HN 1.207 nan 8.150 nan 0.000 0.449 14 S N -1.690 114.044 115.700 0.057 0.000 2.502 14 S HA 0.312 4.753 4.470 -0.048 0.000 0.215 14 S C 0.574 175.179 174.600 0.008 0.000 1.009 14 S CA 0.676 58.912 58.200 0.061 0.000 0.908 14 S CB -0.289 62.955 63.200 0.074 0.000 0.801 14 S HN 1.333 nan 8.310 nan 0.000 0.505 15 S N -1.008 114.669 115.700 -0.040 0.000 2.578 15 S HA 0.702 5.143 4.470 -0.048 0.000 0.272 15 S C -0.510 173.930 174.600 -0.267 0.000 1.145 15 S CA -0.456 57.657 58.200 -0.145 0.000 0.835 15 S CB 0.865 63.970 63.200 -0.158 0.000 1.104 15 S HN 0.717 nan 8.310 nan 0.000 0.458 16 G N 0.559 108.967 108.800 -0.655 0.000 2.473 16 G HA2 0.809 4.740 3.960 -0.048 0.000 0.321 16 G HA3 0.809 4.740 3.960 -0.048 0.000 0.321 16 G C -0.969 173.168 174.900 -1.271 0.000 1.200 16 G CA -1.083 43.422 45.100 -0.991 0.000 0.963 16 G HN 1.001 nan 8.290 nan 0.000 0.483 17 R N -0.078 120.031 120.500 -0.653 0.000 2.584 17 R HA 0.569 4.880 4.340 -0.048 0.000 0.276 17 R C -2.123 174.160 176.300 -0.029 0.000 1.046 17 R CA -0.734 55.178 56.100 -0.313 0.000 0.906 17 R CB 1.772 31.954 30.300 -0.197 0.000 1.215 17 R HN 0.300 nan 8.270 nan 0.000 0.449 18 V N 4.648 124.630 119.914 0.115 0.000 2.384 18 V HA 0.477 4.568 4.120 -0.048 0.000 0.287 18 V C 0.095 176.233 176.094 0.073 0.000 1.020 18 V CA -0.504 61.863 62.300 0.111 0.000 0.850 18 V CB 1.449 33.373 31.823 0.168 0.000 0.987 18 V HN 0.701 nan 8.190 nan 0.000 0.436 19 M N 5.280 124.903 119.600 0.039 0.000 2.602 19 M HA 0.600 5.051 4.480 -0.048 0.000 0.312 19 M C -1.367 174.957 176.300 0.040 0.000 1.181 19 M CA -0.858 54.465 55.300 0.038 0.000 0.910 19 M CB 2.602 35.218 32.600 0.026 0.000 1.723 19 M HN 0.468 nan 8.290 nan 0.000 0.459 20 L N 2.043 123.295 121.223 0.049 0.000 2.325 20 L HA 0.820 5.131 4.340 -0.048 0.000 0.281 20 L C -0.830 176.080 176.870 0.068 0.000 1.004 20 L CA -0.148 54.727 54.840 0.059 0.000 0.823 20 L CB 1.376 43.474 42.059 0.064 0.000 1.236 20 L HN 0.820 nan 8.230 nan 0.000 0.415 21 A N 5.533 128.402 122.820 0.081 0.000 2.312 21 A HA 0.770 5.061 4.320 -0.048 0.000 0.326 21 A C -0.530 177.138 177.584 0.140 0.000 1.172 21 A CA -0.703 51.398 52.037 0.107 0.000 0.821 21 A CB 0.732 19.800 19.000 0.114 0.000 1.166 21 A HN 0.762 nan 8.150 nan 0.000 0.493 22 R N 1.520 122.110 120.500 0.150 0.000 2.393 22 R HA 0.499 4.810 4.340 -0.048 0.000 0.315 22 R C -2.203 174.240 176.300 0.239 0.000 0.952 22 R CA -0.353 55.855 56.100 0.179 0.000 0.842 22 R CB 1.095 31.437 30.300 0.069 0.000 1.163 22 R HN 0.773 nan 8.270 nan 0.000 0.450 23 Y N 3.245 123.633 120.300 0.145 0.000 2.406 23 Y HA 0.276 4.798 4.550 -0.047 0.000 0.340 23 Y C -1.440 174.554 175.900 0.157 0.000 0.975 23 Y CA -0.841 57.337 58.100 0.130 0.000 1.056 23 Y CB 1.673 40.207 38.460 0.123 0.000 1.210 23 Y HN 0.652 nan 8.280 nan 0.000 0.448 24 E N 5.348 125.158 120.200 -0.650 0.000 2.260 24 E HA 0.369 4.690 4.350 -0.048 0.000 0.266 24 E C -0.060 176.079 176.600 -0.767 0.000 0.887 24 E CA -0.968 55.118 56.400 -0.522 0.000 0.777 24 E CB 2.188 31.836 29.700 -0.087 0.000 1.205 24 E HN 0.747 nan 8.360 nan 0.000 0.414 25 R N 2.482 122.674 120.500 -0.514 0.000 2.096 25 R HA -0.219 4.092 4.340 -0.048 0.000 0.240 25 R C 1.166 177.402 176.300 -0.107 0.000 1.139 25 R CA 2.418 58.405 56.100 -0.188 0.000 0.952 25 R CB 0.027 30.381 30.300 0.089 0.000 0.854 25 R HN 0.726 nan 8.270 nan 0.000 0.436 26 E N -0.838 119.314 120.200 -0.081 0.000 2.204 26 E HA -0.213 4.108 4.350 -0.048 0.000 0.195 26 E C 1.900 178.470 176.600 -0.051 0.000 0.990 26 E CA 0.980 57.357 56.400 -0.040 0.000 0.821 26 E CB -0.105 29.581 29.700 -0.023 0.000 0.750 26 E HN 0.363 nan 8.360 nan 0.000 0.477 27 C N -0.075 119.166 119.300 -0.098 0.000 2.634 27 C HA 0.170 4.601 4.460 -0.048 0.000 0.268 27 C C 0.898 175.842 174.990 -0.076 0.000 1.322 27 C CA -0.217 58.752 59.018 -0.082 0.000 1.737 27 C CB -0.717 26.966 27.740 -0.095 0.000 1.976 27 C HN 0.365 nan 8.230 nan 0.000 0.547 28 R N 1.005 121.444 120.500 -0.101 0.000 3.741 28 R HA -0.153 4.158 4.340 -0.048 0.000 0.292 28 R C 0.219 176.520 176.300 0.002 0.000 1.176 28 R CA 1.011 57.105 56.100 -0.010 0.000 0.794 28 R CB -2.362 27.959 30.300 0.035 0.000 1.213 28 R HN 0.782 nan 8.270 nan 0.000 0.494 29 S N -0.204 115.434 115.700 -0.105 0.000 2.457 29 S HA 0.637 5.078 4.470 -0.048 0.000 0.289 29 S C 0.197 174.833 174.600 0.058 0.000 1.163 29 S CA -0.889 57.290 58.200 -0.034 0.000 1.078 29 S CB 2.366 65.525 63.200 -0.068 0.000 0.987 29 S HN 0.290 nan 8.310 nan 0.000 0.482 30 L N 4.063 125.377 121.223 0.152 0.000 2.404 30 L HA 0.558 4.869 4.340 -0.048 0.000 0.272 30 L C -0.510 176.436 176.870 0.127 0.000 0.980 30 L CA -0.234 54.757 54.840 0.251 0.000 0.836 30 L CB 1.945 44.169 42.059 0.276 0.000 1.238 30 L HN 1.091 nan 8.230 nan 0.000 0.408 31 T N 2.453 117.074 114.554 0.112 0.000 2.912 31 T HA 0.652 4.973 4.350 -0.048 0.000 0.288 31 T C -0.769 173.976 174.700 0.074 0.000 1.030 31 T CA -0.766 61.373 62.100 0.065 0.000 1.020 31 T CB 2.327 71.212 68.868 0.028 0.000 1.056 31 T HN 0.470 nan 8.240 nan 0.000 0.480 32 L N 1.795 123.051 121.223 0.055 0.000 2.406 32 L HA 0.594 4.905 4.340 -0.048 0.000 0.272 32 L C -0.648 176.245 176.870 0.039 0.000 0.980 32 L CA -0.832 54.040 54.840 0.054 0.000 0.831 32 L CB 1.942 44.033 42.059 0.054 0.000 1.253 32 L HN 0.772 nan 8.230 nan 0.000 0.406 33 R N 2.584 123.109 120.500 0.041 0.000 2.599 33 R HA 0.347 4.658 4.340 -0.048 0.000 0.295 33 R C -0.842 175.482 176.300 0.040 0.000 0.963 33 R CA -0.742 55.379 56.100 0.036 0.000 0.883 33 R CB 2.643 32.965 30.300 0.036 0.000 1.171 33 R HN 0.502 nan 8.270 nan 0.000 0.450 34 E N 3.245 123.468 120.200 0.037 0.000 2.316 34 E HA 0.046 4.367 4.350 -0.048 0.000 0.275 34 E C 0.431 177.070 176.600 0.065 0.000 1.029 34 E CA -0.244 56.182 56.400 0.044 0.000 0.871 34 E CB 0.672 30.390 29.700 0.031 0.000 1.022 34 E HN 0.466 nan 8.360 nan 0.000 0.418 35 I N 2.719 123.342 120.570 0.088 0.000 2.729 35 I HA 0.046 4.187 4.170 -0.048 0.000 0.256 35 I C 0.468 176.703 176.117 0.197 0.000 1.115 35 I CA 0.669 62.037 61.300 0.113 0.000 1.446 35 I CB -0.544 37.515 38.000 0.098 0.000 1.176 35 I HN 0.565 nan 8.210 nan 0.000 0.446 36 H N 0.896 120.020 119.070 0.091 0.000 3.017 36 H HA 0.547 5.074 4.556 -0.049 0.000 0.340 36 H C -0.796 174.660 175.328 0.212 0.000 1.014 36 H CA -0.850 55.291 56.048 0.154 0.000 1.341 36 H CB 1.265 31.125 29.762 0.162 0.000 1.739 36 H HN -0.081 nan 8.280 nan 0.000 0.506 37 R N 4.369 124.805 120.500 -0.107 0.000 2.514 37 R HA 0.599 4.910 4.340 -0.048 0.000 0.301 37 R C -1.625 174.514 176.300 -0.267 0.000 0.962 37 R CA -0.541 55.417 56.100 -0.237 0.000 0.882 37 R CB 0.371 30.590 30.300 -0.135 0.000 1.143 37 R HN 0.396 nan 8.270 nan 0.000 0.452 38 F N 0.523 120.292 119.950 -0.301 0.000 2.631 38 F HA 0.535 5.033 4.527 -0.049 0.000 0.308 38 F C -0.697 175.058 175.800 -0.074 0.000 1.097 38 F CA -1.473 56.396 58.000 -0.218 0.000 0.952 38 F CB 0.908 39.754 39.000 -0.256 0.000 1.307 38 F HN 0.278 nan 8.300 nan 0.000 0.450 39 N N 2.171 120.950 118.700 0.132 0.000 2.479 39 N HA 0.188 4.899 4.740 -0.048 0.000 0.257 39 N C -1.004 174.611 175.510 0.176 0.000 1.232 39 N CA 0.068 53.175 53.050 0.095 0.000 0.920 39 N CB 0.641 39.188 38.487 0.100 0.000 1.105 39 N HN 0.898 nan 8.380 nan 0.000 0.444 40 N N -0.663 118.110 118.700 0.122 0.000 2.494 40 N HA 0.660 5.371 4.740 -0.048 0.000 0.270 40 N C -1.128 174.490 175.510 0.179 0.000 1.285 40 N CA -0.610 52.560 53.050 0.200 0.000 0.812 40 N CB 1.977 40.538 38.487 0.123 0.000 1.557 40 N HN 0.567 nan 8.380 nan 0.000 0.487 41 G N 0.763 109.740 108.800 0.295 0.000 2.321 41 G HA2 0.201 4.132 3.960 -0.048 0.000 0.298 41 G HA3 0.201 4.132 3.960 -0.048 0.000 0.298 41 G C -1.703 173.258 174.900 0.103 0.000 1.385 41 G CA -0.860 44.346 45.100 0.177 0.000 0.856 41 G HN 0.446 nan 8.290 nan 0.000 0.584 42 L N 1.073 122.206 121.223 -0.149 0.000 2.417 42 L HA 0.450 4.761 4.340 -0.048 0.000 0.268 42 L C 0.197 176.892 176.870 -0.292 0.000 1.158 42 L CA -0.564 54.071 54.840 -0.341 0.000 0.819 42 L CB 0.776 42.623 42.059 -0.353 0.000 1.112 42 L HN 0.479 nan 8.230 nan 0.000 0.458 43 H N 0.931 119.886 119.070 -0.191 0.000 2.538 43 H HA 0.273 4.800 4.556 -0.048 0.000 0.353 43 H C -0.796 174.474 175.328 -0.098 0.000 1.109 43 H CA -0.731 55.263 56.048 -0.090 0.000 1.192 43 H CB 2.129 31.872 29.762 -0.030 0.000 1.555 43 H HN 0.510 nan 8.280 nan 0.000 0.518 44 S N 2.656 118.375 115.700 0.031 0.000 2.474 44 S HA 0.098 4.539 4.470 -0.048 0.000 0.276 44 S C 0.195 174.829 174.600 0.058 0.000 1.227 44 S CA -0.345 57.866 58.200 0.018 0.000 1.050 44 S CB 0.644 63.839 63.200 -0.009 0.000 0.939 44 S HN 0.529 nan 8.310 nan 0.000 0.490 45 Q N 3.197 123.036 119.800 0.065 0.000 2.295 45 Q HA 0.231 4.542 4.340 -0.048 0.000 0.259 45 Q C -0.931 175.133 176.000 0.106 0.000 0.966 45 Q CA -0.570 55.275 55.803 0.071 0.000 0.763 45 Q CB 0.367 29.135 28.738 0.051 0.000 1.283 45 Q HN 0.676 nan 8.270 nan 0.000 0.445 46 N N 2.977 121.728 118.700 0.086 0.000 2.727 46 N HA -0.243 4.468 4.740 -0.048 0.000 0.249 46 N C 0.523 176.125 175.510 0.152 0.000 1.048 46 N CA 1.597 54.712 53.050 0.109 0.000 0.714 46 N CB -1.563 36.992 38.487 0.113 0.000 0.959 46 N HN 1.135 nan 8.380 nan 0.000 0.544 47 G N -2.546 106.288 108.800 0.057 0.000 2.159 47 G HA2 -0.359 3.572 3.960 -0.048 0.000 0.256 47 G HA3 -0.359 3.572 3.960 -0.048 0.000 0.256 47 G C -0.206 174.544 174.900 -0.249 0.000 0.977 47 G CA 0.680 45.734 45.100 -0.076 0.000 0.652 47 G HN 0.515 nan 8.290 nan 0.000 0.531 48 Y N -1.252 119.028 120.300 -0.032 0.000 2.587 48 Y HA 0.631 5.152 4.550 -0.047 0.000 0.337 48 Y C 0.482 176.333 175.900 -0.081 0.000 1.065 48 Y CA -1.090 56.980 58.100 -0.050 0.000 1.126 48 Y CB 2.089 40.519 38.460 -0.049 0.000 1.279 48 Y HN 0.066 nan 8.280 nan 0.000 0.489 49 V N 2.088 122.027 119.914 0.042 0.000 2.350 49 V HA 0.512 4.603 4.120 -0.048 0.000 0.276 49 V C -0.146 175.826 176.094 -0.203 0.000 1.028 49 V CA -0.470 61.762 62.300 -0.114 0.000 0.860 49 V CB 0.683 32.390 31.823 -0.193 0.000 0.990 49 V HN 0.906 nan 8.190 nan 0.000 0.453 50 T N 0.735 115.146 114.554 -0.238 0.000 2.864 50 T HA 0.682 5.003 4.350 -0.048 0.000 0.289 50 T C -1.101 173.386 174.700 -0.354 0.000 1.082 50 T CA -0.852 61.083 62.100 -0.275 0.000 1.009 50 T CB 1.588 70.407 68.868 -0.081 0.000 1.234 50 T HN 0.407 nan 8.240 nan 0.000 0.526 51 W N 0.433 121.771 121.300 0.064 0.000 2.496 51 W HA 0.481 5.111 4.660 -0.050 0.000 0.327 51 W C -0.027 176.499 176.519 0.011 0.000 1.086 51 W CA -0.633 56.780 57.345 0.114 0.000 1.222 51 W CB 0.992 30.602 29.460 0.249 0.000 1.304 51 W HN 0.626 nan 8.180 nan 0.000 0.547 52 D N 2.189 122.689 120.400 0.167 0.000 2.517 52 D HA 0.022 4.633 4.640 -0.048 0.000 0.220 52 D C 1.180 177.602 176.300 0.203 0.000 1.158 52 D CA -0.118 53.869 54.000 -0.021 0.000 0.992 52 D CB 0.601 41.195 40.800 -0.344 0.000 1.058 52 D HN 0.266 nan 8.370 nan 0.000 0.516 53 V N 0.723 120.797 119.914 0.267 0.000 2.490 53 V HA -0.147 3.944 4.120 -0.048 0.000 0.250 53 V C 1.488 177.812 176.094 0.384 0.000 1.061 53 V CA 1.261 63.809 62.300 0.413 0.000 1.064 53 V CB -0.275 31.719 31.823 0.285 0.000 0.670 53 V HN 0.169 nan 8.190 nan 0.000 0.461 54 D N 0.981 121.514 120.400 0.221 0.000 2.144 54 D HA -0.080 4.531 4.640 -0.048 0.000 0.200 54 D C 2.460 178.830 176.300 0.117 0.000 0.978 54 D CA 1.832 55.932 54.000 0.167 0.000 0.833 54 D CB -0.210 40.650 40.800 0.099 0.000 0.961 54 D HN 0.533 nan 8.370 nan 0.000 0.470 55 S N 0.157 115.914 115.700 0.095 0.000 2.383 55 S HA -0.017 4.424 4.470 -0.048 0.000 0.227 55 S C 2.180 176.784 174.600 0.007 0.000 1.026 55 S CA 0.365 58.595 58.200 0.051 0.000 0.981 55 S CB -0.078 63.162 63.200 0.066 0.000 0.818 55 S HN 0.227 nan 8.310 nan 0.000 0.472 56 L N 1.330 122.608 121.223 0.091 0.000 2.017 56 L HA -0.134 4.177 4.340 -0.048 0.000 0.208 56 L C 2.704 179.456 176.870 -0.196 0.000 1.073 56 L CA 1.479 56.312 54.840 -0.012 0.000 0.745 56 L CB -0.540 41.601 42.059 0.136 0.000 0.894 56 L HN 0.373 nan 8.230 nan 0.000 0.432 57 E N 0.030 120.250 120.200 0.034 0.000 2.085 57 E HA -0.215 4.106 4.350 -0.048 0.000 0.194 57 E C 2.238 178.779 176.600 -0.097 0.000 0.994 57 E CA 1.603 58.013 56.400 0.017 0.000 0.801 57 E CB 0.101 29.941 29.700 0.233 0.000 0.743 57 E HN 0.363 nan 8.360 nan 0.000 0.453 58 S N 0.271 115.926 115.700 -0.075 0.000 2.368 58 S HA -0.149 4.292 4.470 -0.048 0.000 0.225 58 S C 2.012 176.493 174.600 -0.197 0.000 1.030 58 S CA 0.971 59.111 58.200 -0.100 0.000 0.999 58 S CB -0.260 62.907 63.200 -0.055 0.000 0.844 58 S HN 0.495 nan 8.310 nan 0.000 0.459 59 A N 1.408 124.027 122.820 -0.335 0.000 1.908 59 A HA -0.084 4.207 4.320 -0.048 0.000 0.218 59 A C 2.056 179.345 177.584 -0.491 0.000 1.181 59 A CA 1.277 52.967 52.037 -0.579 0.000 0.627 59 A CB -0.724 17.399 19.000 -1.462 0.000 0.818 59 A HN 0.495 nan 8.150 nan 0.000 0.445 60 I N -0.999 119.303 120.570 -0.447 0.000 2.179 60 I HA -0.278 3.863 4.170 -0.048 0.000 0.242 60 I C 2.805 178.775 176.117 -0.245 0.000 1.088 60 I CA 1.492 62.629 61.300 -0.273 0.000 1.357 60 I CB -0.370 37.446 38.000 -0.307 0.000 1.051 60 I HN 0.297 nan 8.210 nan 0.000 0.409 61 R N 0.481 120.843 120.500 -0.231 0.000 2.081 61 R HA -0.180 4.131 4.340 -0.048 0.000 0.235 61 R C 2.387 178.613 176.300 -0.123 0.000 1.131 61 R CA 1.327 57.322 56.100 -0.175 0.000 0.960 61 R CB -0.562 29.695 30.300 -0.072 0.000 0.856 61 R HN 0.362 nan 8.270 nan 0.000 0.436 62 L N 0.337 121.465 121.223 -0.158 0.000 2.012 62 L HA -0.153 4.158 4.340 -0.048 0.000 0.210 62 L C 2.279 179.035 176.870 -0.190 0.000 1.073 62 L CA 1.968 56.689 54.840 -0.198 0.000 0.748 62 L CB -0.702 41.155 42.059 -0.337 0.000 0.891 62 L HN 0.286 nan 8.230 nan 0.000 0.431 63 G N -0.246 108.462 108.800 -0.154 0.000 2.421 63 G HA2 -0.241 3.690 3.960 -0.048 0.000 0.216 63 G HA3 -0.241 3.690 3.960 -0.048 0.000 0.216 63 G C 1.531 176.404 174.900 -0.044 0.000 1.171 63 G CA 0.983 46.061 45.100 -0.037 0.000 0.775 63 G HN 0.391 nan 8.290 nan 0.000 0.543 64 L N 0.198 121.348 121.223 -0.122 0.000 2.012 64 L HA -0.127 4.184 4.340 -0.048 0.000 0.210 64 L C 2.678 179.589 176.870 0.069 0.000 1.073 64 L CA 1.508 56.255 54.840 -0.154 0.000 0.748 64 L CB -0.561 41.122 42.059 -0.627 0.000 0.891 64 L HN 0.247 nan 8.230 nan 0.000 0.431 65 N N -0.637 118.122 118.700 0.099 0.000 2.244 65 N HA -0.149 4.562 4.740 -0.048 0.000 0.183 65 N C 1.804 177.360 175.510 0.077 0.000 1.016 65 N CA 0.562 53.707 53.050 0.158 0.000 0.866 65 N CB 0.108 38.669 38.487 0.122 0.000 0.980 65 N HN 0.202 nan 8.380 nan 0.000 0.430 66 K N 0.641 121.056 120.400 0.025 0.000 2.032 66 K HA -0.096 4.195 4.320 -0.048 0.000 0.209 66 K C 1.961 178.589 176.600 0.046 0.000 1.048 66 K CA 0.959 57.257 56.287 0.018 0.000 0.927 66 K CB -0.517 31.979 32.500 -0.007 0.000 0.712 66 K HN 0.089 nan 8.250 nan 0.000 0.441 67 V N 1.244 121.194 119.914 0.061 0.000 2.295 67 V HA -0.315 3.776 4.120 -0.048 0.000 0.246 67 V C 2.643 178.792 176.094 0.091 0.000 1.049 67 V CA 1.646 63.992 62.300 0.076 0.000 1.024 67 V CB -0.673 31.198 31.823 0.081 0.000 0.648 67 V HN 0.326 nan 8.190 nan 0.000 0.447 68 c N 0.511 119.185 118.600 0.123 0.000 2.413 68 c HA -0.144 4.397 4.570 -0.048 0.000 0.277 68 c C 3.112 177.242 174.090 0.067 0.000 1.228 68 c CA 0.957 57.354 56.329 0.114 0.000 1.731 68 c CB -1.440 41.159 42.510 0.147 0.000 2.042 68 c HN 0.632 nan 8.230 nan 0.000 0.468 69 A N 0.211 123.066 122.820 0.058 0.000 2.015 69 A HA 0.172 4.463 4.320 -0.048 0.000 0.219 69 A C 2.230 179.834 177.584 0.034 0.000 1.163 69 A CA 1.697 53.756 52.037 0.036 0.000 0.646 69 A CB -0.631 18.386 19.000 0.028 0.000 0.806 69 A HN 0.615 nan 8.150 nan 0.000 0.448 70 A N -1.482 121.364 122.820 0.042 0.000 2.209 70 A HA 0.362 4.653 4.320 -0.048 0.000 0.212 70 A C 1.852 179.463 177.584 0.044 0.000 1.158 70 A CA 1.285 53.346 52.037 0.041 0.000 0.742 70 A CB -1.011 18.016 19.000 0.046 0.000 0.790 70 A HN 1.880 nan 8.150 nan 0.000 0.472 71 G N -1.001 107.826 108.800 0.046 0.000 2.147 71 G HA2 -0.231 3.700 3.960 -0.048 0.000 0.244 71 G HA3 -0.231 3.700 3.960 -0.048 0.000 0.244 71 G C 0.056 174.990 174.900 0.057 0.000 1.005 71 G CA 0.286 45.412 45.100 0.044 0.000 0.713 71 G HN 0.486 nan 8.290 nan 0.000 0.515 72 I N 1.113 121.726 120.570 0.071 0.000 2.474 72 I HA 0.458 4.599 4.170 -0.048 0.000 0.287 72 I C 1.170 177.336 176.117 0.082 0.000 1.048 72 I CA -0.094 61.260 61.300 0.090 0.000 1.383 72 I CB 1.477 39.538 38.000 0.101 0.000 1.412 72 I HN 0.289 nan 8.210 nan 0.000 0.531 73 A N 8.302 131.167 122.820 0.075 0.000 2.457 73 A HA 0.399 4.690 4.320 -0.048 0.000 0.298 73 A C 0.013 177.637 177.584 0.066 0.000 1.288 73 A CA -0.253 51.813 52.037 0.049 0.000 0.956 73 A CB -0.673 18.331 19.000 0.008 0.000 1.135 73 A HN 0.634 nan 8.150 nan 0.000 0.535 74 I N 2.665 123.284 120.570 0.082 0.000 2.396 74 I HA 0.073 4.214 4.170 -0.048 0.000 0.289 74 I C 0.357 176.522 176.117 0.081 0.000 1.056 74 I CA -0.209 61.149 61.300 0.096 0.000 1.365 74 I CB 0.962 39.042 38.000 0.133 0.000 1.407 74 I HN 0.662 nan 8.210 nan 0.000 0.509 75 D N 3.719 124.161 120.400 0.070 0.000 2.240 75 D HA 0.015 4.626 4.640 -0.048 0.000 0.206 75 D C 0.461 176.795 176.300 0.056 0.000 0.963 75 D CA 0.870 54.903 54.000 0.055 0.000 0.863 75 D CB 0.557 41.385 40.800 0.046 0.000 0.973 75 D HN 0.663 nan 8.370 nan 0.000 0.501 76 S N -0.588 115.145 115.700 0.054 0.000 2.595 76 S HA 0.574 5.015 4.470 -0.048 0.000 0.270 76 S C -1.121 173.493 174.600 0.023 0.000 1.145 76 S CA -0.925 57.295 58.200 0.033 0.000 0.825 76 S CB 1.600 64.803 63.200 0.005 0.000 1.107 76 S HN -0.008 nan 8.310 nan 0.000 0.461 77 I N 0.484 121.053 120.570 -0.000 0.000 2.608 77 I HA 0.794 4.935 4.170 -0.048 0.000 0.295 77 I C 0.270 176.355 176.117 -0.053 0.000 1.049 77 I CA -0.574 60.705 61.300 -0.034 0.000 1.063 77 I CB 2.483 40.445 38.000 -0.063 0.000 1.248 77 I HN 1.039 nan 8.210 nan 0.000 0.424 78 G N 5.492 114.255 108.800 -0.061 0.000 2.706 78 G HA2 0.792 4.723 3.960 -0.048 0.000 0.297 78 G HA3 0.792 4.723 3.960 -0.048 0.000 0.297 78 G C -1.455 173.408 174.900 -0.062 0.000 1.403 78 G CA -0.421 44.642 45.100 -0.062 0.000 0.954 78 G HN 0.430 nan 8.290 nan 0.000 0.500 79 I N 1.237 121.775 120.570 -0.053 0.000 2.466 79 I HA 0.372 4.513 4.170 -0.048 0.000 0.289 79 I C -1.208 174.889 176.117 -0.034 0.000 1.026 79 I CA -0.801 60.473 61.300 -0.043 0.000 1.078 79 I CB 2.425 40.411 38.000 -0.024 0.000 1.249 79 I HN 0.744 nan 8.210 nan 0.000 0.429 80 D N 3.191 123.570 120.400 -0.035 0.000 2.575 80 D HA 0.760 5.371 4.640 -0.048 0.000 0.236 80 D C -0.518 175.761 176.300 -0.034 0.000 1.075 80 D CA -0.433 53.548 54.000 -0.032 0.000 0.860 80 D CB 2.342 43.122 40.800 -0.033 0.000 1.475 80 D HN 0.571 nan 8.370 nan 0.000 0.474 81 T N -1.914 112.604 114.554 -0.061 0.000 2.812 81 T HA 0.549 4.870 4.350 -0.048 0.000 0.294 81 T C -0.894 173.783 174.700 -0.037 0.000 1.159 81 T CA -1.388 60.640 62.100 -0.119 0.000 1.008 81 T CB 0.241 68.815 68.868 -0.490 0.000 1.289 81 T HN 0.731 nan 8.240 nan 0.000 0.514 82 W N 0.989 122.314 121.300 0.042 0.000 2.187 82 W HA 0.565 5.198 4.660 -0.045 0.000 0.348 82 W C 0.501 177.074 176.519 0.090 0.000 1.282 82 W CA -0.161 57.236 57.345 0.086 0.000 1.271 82 W CB -0.388 29.124 29.460 0.087 0.000 1.170 82 W HN 0.973 nan 8.180 nan 0.000 0.583 83 G N 0.769 109.661 108.800 0.152 0.000 2.588 83 G HA2 0.334 4.264 3.960 -0.048 0.000 0.278 83 G HA3 0.334 4.264 3.960 -0.048 0.000 0.278 83 G C 0.495 175.392 174.900 -0.006 0.000 1.307 83 G CA 0.144 45.167 45.100 -0.130 0.000 1.016 83 G HN 1.383 nan 8.290 nan 0.000 0.503 84 V N -1.228 118.676 119.914 -0.015 0.000 0.449 84 V HA -0.253 3.838 4.120 -0.048 0.000 0.092 84 V C 0.826 177.120 176.094 0.333 0.000 2.531 84 V CA 2.311 64.711 62.300 0.167 0.000 3.708 84 V CB -1.755 30.206 31.823 0.229 0.000 0.981 84 V HN 0.773 nan 8.190 nan 0.000 1.031 85 D N 0.673 121.272 120.400 0.331 0.000 2.344 85 D HA 0.599 5.210 4.640 -0.048 0.000 0.244 85 D C -0.323 176.107 176.300 0.217 0.000 1.134 85 D CA 0.544 54.746 54.000 0.337 0.000 0.930 85 D CB 0.957 42.123 40.800 0.610 0.000 1.175 85 D HN 0.549 nan 8.370 nan 0.000 0.437 86 F N -1.925 118.106 119.950 0.134 0.000 2.664 86 F HA 0.701 5.210 4.527 -0.031 0.000 0.317 86 F C -1.309 174.450 175.800 -0.070 0.000 1.108 86 F CA -1.215 56.798 58.000 0.021 0.000 0.957 86 F CB 0.882 39.930 39.000 0.080 0.000 1.365 86 F HN 0.023 nan 8.300 nan 0.000 0.475 87 V N 2.601 122.518 119.914 0.006 0.000 2.540 87 V HA 0.460 4.551 4.120 -0.048 0.000 0.302 87 V C -0.335 175.738 176.094 -0.036 0.000 1.035 87 V CA -0.791 61.385 62.300 -0.207 0.000 0.873 87 V CB 1.687 33.058 31.823 -0.753 0.000 0.992 87 V HN 0.716 nan 8.190 nan 0.000 0.428 88 L N 5.506 126.706 121.223 -0.038 0.000 2.326 88 L HA 0.588 4.899 4.340 -0.048 0.000 0.278 88 L C -0.555 176.221 176.870 -0.157 0.000 1.092 88 L CA -0.202 54.561 54.840 -0.128 0.000 0.810 88 L CB 0.953 42.917 42.059 -0.158 0.000 1.153 88 L HN 0.389 nan 8.230 nan 0.000 0.439 89 L N 2.027 123.144 121.223 -0.177 0.000 2.381 89 L HA 0.426 4.737 4.340 -0.048 0.000 0.268 89 L C -0.615 176.188 176.870 -0.112 0.000 0.997 89 L CA -1.000 53.779 54.840 -0.101 0.000 0.818 89 L CB 2.175 44.188 42.059 -0.077 0.000 1.310 89 L HN 0.621 nan 8.230 nan 0.000 0.416 90 D N 0.097 120.467 120.400 -0.050 0.000 2.451 90 D HA 0.054 4.665 4.640 -0.048 0.000 0.259 90 D C 0.810 177.121 176.300 0.017 0.000 1.201 90 D CA -0.536 53.446 54.000 -0.029 0.000 1.028 90 D CB 0.513 41.317 40.800 0.006 0.000 1.095 90 D HN 0.624 nan 8.370 nan 0.000 0.539 91 Q N -1.495 118.320 119.800 0.025 0.000 2.297 91 Q HA -0.201 4.110 4.340 -0.048 0.000 0.208 91 Q C 0.884 176.933 176.000 0.081 0.000 0.981 91 Q CA 1.276 57.113 55.803 0.056 0.000 0.876 91 Q CB -0.298 28.464 28.738 0.040 0.000 0.921 91 Q HN 0.348 nan 8.270 nan 0.000 0.446 92 Q N -0.398 119.445 119.800 0.072 0.000 2.219 92 Q HA 0.206 4.517 4.340 -0.048 0.000 0.209 92 Q C 0.692 176.762 176.000 0.116 0.000 0.854 92 Q CA 0.593 56.447 55.803 0.084 0.000 0.960 92 Q CB 1.396 30.171 28.738 0.062 0.000 1.116 92 Q HN 0.627 nan 8.270 nan 0.000 0.500 93 G N 0.882 109.756 108.800 0.123 0.000 2.141 93 G HA2 -0.220 3.711 3.960 -0.048 0.000 0.242 93 G HA3 -0.220 3.711 3.960 -0.048 0.000 0.242 93 G C 0.157 175.165 174.900 0.180 0.000 0.982 93 G CA -0.140 45.077 45.100 0.194 0.000 0.662 93 G HN 0.212 nan 8.290 nan 0.000 0.527 94 Q N 0.236 120.095 119.800 0.099 0.000 2.299 94 Q HA 0.358 4.669 4.340 -0.048 0.000 0.246 94 Q C 0.932 176.952 176.000 0.033 0.000 0.935 94 Q CA -0.371 55.474 55.803 0.070 0.000 0.887 94 Q CB 0.841 29.599 28.738 0.035 0.000 1.223 94 Q HN 0.509 nan 8.270 nan 0.000 0.439 95 R N 0.482 120.996 120.500 0.023 0.000 2.623 95 R HA 0.195 4.506 4.340 -0.048 0.000 0.271 95 R C -0.398 175.858 176.300 -0.073 0.000 1.043 95 R CA -0.082 55.995 56.100 -0.039 0.000 1.083 95 R CB 0.354 30.620 30.300 -0.058 0.000 0.974 95 R HN 0.255 nan 8.270 nan 0.000 0.436 96 V N 2.937 122.789 119.914 -0.103 0.000 2.417 96 V HA 0.469 4.560 4.120 -0.048 0.000 0.291 96 V C 0.813 176.837 176.094 -0.116 0.000 1.024 96 V CA 0.111 62.341 62.300 -0.117 0.000 0.861 96 V CB 1.054 32.799 31.823 -0.129 0.000 0.985 96 V HN 1.111 nan 8.190 nan 0.000 0.436 97 G N 4.473 113.202 108.800 -0.117 0.000 2.697 97 G HA2 -0.198 3.733 3.960 -0.048 0.000 0.240 97 G HA3 -0.198 3.733 3.960 -0.048 0.000 0.240 97 G C -0.611 174.207 174.900 -0.138 0.000 1.346 97 G CA -0.258 44.765 45.100 -0.127 0.000 0.887 97 G HN 0.732 nan 8.290 nan 0.000 0.569 98 L N 1.289 122.406 121.223 -0.176 0.000 2.379 98 L HA 0.481 4.792 4.340 -0.048 0.000 0.269 98 L C -1.537 175.235 176.870 -0.162 0.000 1.084 98 L CA -1.797 52.943 54.840 -0.167 0.000 0.802 98 L CB 1.539 43.470 42.059 -0.213 0.000 1.175 98 L HN 0.433 nan 8.230 nan 0.000 0.448 99 P HA 0.132 nan 4.420 nan 0.000 0.238 99 P C -0.474 176.800 177.300 -0.045 0.000 1.794 99 P CA -0.210 62.840 63.100 -0.083 0.000 1.088 99 P CB 0.098 31.801 31.700 0.004 0.000 1.923 100 V N 2.246 122.077 119.914 -0.138 0.000 2.655 100 V HA 0.279 4.370 4.120 -0.048 0.000 0.300 100 V C 1.144 177.191 176.094 -0.078 0.000 1.044 100 V CA -0.251 61.977 62.300 -0.120 0.000 1.095 100 V CB 0.365 32.131 31.823 -0.095 0.000 0.952 100 V HN 0.501 nan 8.190 nan 0.000 0.485 101 A N 3.911 126.588 122.820 -0.238 0.000 2.286 101 A HA 0.532 4.823 4.320 -0.048 0.000 0.286 101 A C 0.600 178.144 177.584 -0.067 0.000 1.097 101 A CA -0.424 51.418 52.037 -0.326 0.000 0.821 101 A CB 0.196 18.474 19.000 -1.204 0.000 1.076 101 A HN 1.026 nan 8.150 nan 0.000 0.490 102 Y N -0.072 120.320 120.300 0.153 0.000 2.483 102 Y HA -0.066 4.455 4.550 -0.049 0.000 0.291 102 Y C 1.695 177.540 175.900 -0.092 0.000 1.143 102 Y CA 1.123 59.280 58.100 0.094 0.000 1.289 102 Y CB -0.210 38.291 38.460 0.068 0.000 0.983 102 Y HN 0.547 nan 8.280 nan 0.000 0.556 103 R N 1.208 121.352 120.500 -0.593 0.000 2.307 103 R HA -0.011 4.300 4.340 -0.048 0.000 0.199 103 R C -0.293 175.906 176.300 -0.169 0.000 1.000 103 R CA 0.597 56.435 56.100 -0.435 0.000 1.023 103 R CB -0.697 29.215 30.300 -0.647 0.000 0.908 103 R HN 0.484 nan 8.270 nan 0.000 0.473 104 D N 0.296 120.636 120.400 -0.100 0.000 2.399 104 D HA -0.036 4.575 4.640 -0.048 0.000 0.241 104 D C 0.869 177.213 176.300 0.073 0.000 1.133 104 D CA 0.137 54.134 54.000 -0.005 0.000 0.890 104 D CB 0.966 41.805 40.800 0.065 0.000 1.201 104 D HN 0.006 nan 8.370 nan 0.000 0.432 105 S N 2.594 118.322 115.700 0.046 0.000 2.631 105 S HA -0.055 4.386 4.470 -0.048 0.000 0.217 105 S C 1.638 176.295 174.600 0.095 0.000 0.958 105 S CA -0.186 58.055 58.200 0.069 0.000 0.920 105 S CB -0.233 62.981 63.200 0.022 0.000 0.776 105 S HN 0.626 nan 8.310 nan 0.000 0.517 106 R N 1.739 122.317 120.500 0.130 0.000 2.159 106 R HA -0.109 4.202 4.340 -0.048 0.000 0.237 106 R C 1.780 178.190 176.300 0.184 0.000 1.131 106 R CA 1.897 58.098 56.100 0.169 0.000 0.982 106 R CB -1.772 28.686 30.300 0.263 0.000 0.868 106 R HN 0.550 nan 8.270 nan 0.000 0.453 107 T N -1.959 112.725 114.554 0.217 0.000 3.113 107 T HA 0.023 4.344 4.350 -0.048 0.000 0.256 107 T C 0.491 175.301 174.700 0.183 0.000 1.131 107 T CA -0.179 62.070 62.100 0.248 0.000 1.074 107 T CB -0.535 68.534 68.868 0.335 0.000 0.944 107 T HN 0.300 nan 8.240 nan 0.000 0.516 108 N N 1.652 120.436 118.700 0.140 0.000 2.359 108 N HA 0.290 5.001 4.740 -0.048 0.000 0.261 108 N C 1.243 176.800 175.510 0.079 0.000 1.267 108 N CA 0.690 53.799 53.050 0.098 0.000 0.864 108 N CB 0.103 38.634 38.487 0.074 0.000 1.063 108 N HN 0.537 nan 8.380 nan 0.000 0.474 109 G N 1.716 110.545 108.800 0.049 0.000 2.217 109 G HA2 -0.284 3.647 3.960 -0.048 0.000 0.246 109 G HA3 -0.284 3.647 3.960 -0.048 0.000 0.246 109 G C 0.814 175.743 174.900 0.049 0.000 0.990 109 G CA 0.022 45.144 45.100 0.036 0.000 0.627 109 G HN 0.492 nan 8.290 nan 0.000 0.522 110 L N 0.070 121.343 121.223 0.083 0.000 2.179 110 L HA 0.223 4.534 4.340 -0.048 0.000 0.208 110 L C 2.890 179.783 176.870 0.038 0.000 1.096 110 L CA 1.503 56.461 54.840 0.198 0.000 0.779 110 L CB -0.418 41.851 42.059 0.350 0.000 0.922 110 L HN 0.461 nan 8.230 nan 0.000 0.443 111 M N 0.216 119.570 119.600 -0.410 0.000 2.086 111 M HA -0.211 4.240 4.480 -0.048 0.000 0.261 111 M C 2.379 178.449 176.300 -0.384 0.000 1.067 111 M CA 2.088 56.843 55.300 -0.908 0.000 1.116 111 M CB -0.094 31.941 32.600 -0.942 0.000 1.348 111 M HN 0.240 nan 8.290 nan 0.000 0.407 112 A N -0.074 122.615 122.820 -0.219 0.000 1.933 112 A HA -0.265 4.026 4.320 -0.048 0.000 0.218 112 A C 2.037 179.573 177.584 -0.080 0.000 1.175 112 A CA 1.999 53.948 52.037 -0.147 0.000 0.628 112 A CB -0.985 17.960 19.000 -0.091 0.000 0.814 112 A HN 0.761 nan 8.150 nan 0.000 0.444 113 Q N -0.525 119.284 119.800 0.015 0.000 2.050 113 Q HA -0.155 4.156 4.340 -0.048 0.000 0.202 113 Q C 2.243 178.303 176.000 0.099 0.000 0.980 113 Q CA 1.706 57.592 55.803 0.138 0.000 0.840 113 Q CB -0.373 28.543 28.738 0.297 0.000 0.898 113 Q HN 0.599 nan 8.270 nan 0.000 0.424 114 A N 0.661 123.432 122.820 -0.081 0.000 1.908 114 A HA -0.288 4.003 4.320 -0.048 0.000 0.218 114 A C 1.954 179.329 177.584 -0.348 0.000 1.181 114 A CA 1.891 53.532 52.037 -0.661 0.000 0.627 114 A CB -0.692 17.768 19.000 -0.900 0.000 0.818 114 A HN 0.571 nan 8.150 nan 0.000 0.445 115 Q N -0.866 118.803 119.800 -0.219 0.000 2.084 115 Q HA -0.246 4.065 4.340 -0.048 0.000 0.202 115 Q C 2.335 178.259 176.000 -0.127 0.000 0.978 115 Q CA 1.840 57.530 55.803 -0.189 0.000 0.844 115 Q CB -0.212 28.357 28.738 -0.282 0.000 0.898 115 Q HN 0.802 nan 8.270 nan 0.000 0.426 116 Q N 0.120 119.866 119.800 -0.089 0.000 2.084 116 Q HA -0.184 4.127 4.340 -0.048 0.000 0.202 116 Q C 2.027 178.022 176.000 -0.009 0.000 0.978 116 Q CA 1.301 57.082 55.803 -0.037 0.000 0.844 116 Q CB 0.085 28.819 28.738 -0.006 0.000 0.898 116 Q HN 0.428 nan 8.270 nan 0.000 0.426 117 Q N -0.325 119.478 119.800 0.005 0.000 2.165 117 Q HA 0.028 4.339 4.340 -0.048 0.000 0.197 117 Q C 1.930 177.932 176.000 0.003 0.000 0.952 117 Q CA 0.738 56.574 55.803 0.055 0.000 0.848 117 Q CB 0.324 29.188 28.738 0.210 0.000 0.931 117 Q HN 0.347 nan 8.270 nan 0.000 0.470 118 L N -0.950 120.216 121.223 -0.094 0.000 2.408 118 L HA 0.266 4.577 4.340 -0.048 0.000 0.215 118 L C 0.613 177.457 176.870 -0.043 0.000 1.081 118 L CA 0.303 55.093 54.840 -0.084 0.000 0.840 118 L CB 0.312 42.261 42.059 -0.183 0.000 1.002 118 L HN 0.249 nan 8.230 nan 0.000 0.468 119 G N 1.106 109.875 108.800 -0.052 0.000 3.209 119 G HA2 -0.193 3.738 3.960 -0.048 0.000 0.686 119 G HA3 -0.193 3.738 3.960 -0.048 0.000 0.686 119 G C 0.148 175.044 174.900 -0.007 0.000 1.065 119 G CA -0.016 45.068 45.100 -0.028 0.000 0.812 119 G HN 0.096 nan 8.290 nan 0.000 0.573 120 K N 1.471 121.844 120.400 -0.045 0.000 2.032 120 K HA -0.093 4.198 4.320 -0.048 0.000 0.209 120 K C 2.503 179.208 176.600 0.174 0.000 1.048 120 K CA 1.621 57.877 56.287 -0.051 0.000 0.927 120 K CB -0.063 32.290 32.500 -0.245 0.000 0.712 120 K HN 0.513 nan 8.250 nan 0.000 0.441 121 R N 0.536 121.099 120.500 0.104 0.000 2.075 121 R HA -0.162 4.149 4.340 -0.048 0.000 0.232 121 R C 1.957 178.357 176.300 0.166 0.000 1.126 121 R CA 2.082 58.276 56.100 0.155 0.000 0.963 121 R CB -0.321 30.030 30.300 0.084 0.000 0.858 121 R HN 0.336 nan 8.270 nan 0.000 0.435 122 D N 0.079 120.541 120.400 0.103 0.000 2.106 122 D HA -0.197 4.414 4.640 -0.048 0.000 0.191 122 D C 1.789 178.140 176.300 0.085 0.000 0.997 122 D CA 1.924 55.967 54.000 0.071 0.000 0.834 122 D CB -0.058 40.762 40.800 0.034 0.000 0.956 122 D HN 0.290 nan 8.370 nan 0.000 0.448 123 I N -0.668 119.982 120.570 0.133 0.000 2.163 123 I HA -0.265 3.876 4.170 -0.048 0.000 0.243 123 I C 2.105 178.279 176.117 0.093 0.000 1.085 123 I CA 1.141 62.516 61.300 0.124 0.000 1.347 123 I CB -0.487 37.665 38.000 0.253 0.000 1.044 123 I HN 0.175 nan 8.210 nan 0.000 0.408 124 Y N 1.483 121.835 120.300 0.087 0.000 2.200 124 Y HA -0.254 4.268 4.550 -0.046 0.000 0.290 124 Y C 2.670 178.555 175.900 -0.026 0.000 1.137 124 Y CA 1.666 59.759 58.100 -0.011 0.000 1.163 124 Y CB -0.239 38.307 38.460 0.142 0.000 0.988 124 Y HN 0.168 nan 8.280 nan 0.000 0.518 125 Q N -0.608 119.220 119.800 0.046 0.000 2.119 125 Q HA -0.162 4.149 4.340 -0.048 0.000 0.201 125 Q C 2.310 178.247 176.000 -0.105 0.000 0.972 125 Q CA 1.327 57.103 55.803 -0.045 0.000 0.847 125 Q CB -0.054 28.699 28.738 0.025 0.000 0.903 125 Q HN 0.452 nan 8.270 nan 0.000 0.433 126 R N -0.240 120.213 120.500 -0.078 0.000 2.062 126 R HA -0.081 4.230 4.340 -0.048 0.000 0.229 126 R C 2.525 178.745 176.300 -0.134 0.000 1.128 126 R CA 1.729 57.778 56.100 -0.085 0.000 0.960 126 R CB -0.054 30.214 30.300 -0.054 0.000 0.855 126 R HN 0.231 nan 8.270 nan 0.000 0.432 127 S N -1.535 114.054 115.700 -0.185 0.000 2.475 127 S HA 0.121 4.562 4.470 -0.048 0.000 0.224 127 S C 1.536 175.956 174.600 -0.300 0.000 1.042 127 S CA 0.399 58.468 58.200 -0.218 0.000 0.935 127 S CB 0.732 63.801 63.200 -0.219 0.000 0.801 127 S HN 0.446 nan 8.310 nan 0.000 0.509 128 G N 1.587 110.092 108.800 -0.491 0.000 2.203 128 G HA2 -0.196 3.735 3.960 -0.048 0.000 0.263 128 G HA3 -0.196 3.735 3.960 -0.048 0.000 0.263 128 G C -0.050 174.550 174.900 -0.500 0.000 1.012 128 G CA 0.527 45.225 45.100 -0.670 0.000 0.749 128 G HN 0.516 nan 8.290 nan 0.000 0.512 129 I N 0.864 121.189 120.570 -0.408 0.000 2.412 129 I HA 0.268 4.409 4.170 -0.048 0.000 0.296 129 I C 1.078 177.082 176.117 -0.187 0.000 0.987 129 I CA -1.155 60.002 61.300 -0.237 0.000 1.180 129 I CB 1.451 39.312 38.000 -0.233 0.000 1.340 129 I HN 0.539 nan 8.210 nan 0.000 0.455 130 Q N 4.591 124.353 119.800 -0.063 0.000 2.386 130 Q HA 0.109 4.420 4.340 -0.048 0.000 0.282 130 Q C -1.344 174.555 176.000 -0.170 0.000 1.050 130 Q CA 0.222 56.015 55.803 -0.017 0.000 0.918 130 Q CB 0.204 28.964 28.738 0.036 0.000 1.266 130 Q HN 0.334 nan 8.270 nan 0.000 0.423 131 F N 2.523 122.515 119.950 0.070 0.000 2.462 131 F HA 0.264 4.762 4.527 -0.048 0.000 0.360 131 F C -0.224 175.551 175.800 -0.042 0.000 1.134 131 F CA -0.271 57.754 58.000 0.042 0.000 1.148 131 F CB 0.307 39.314 39.000 0.013 0.000 1.147 131 F HN 0.306 nan 8.300 nan 0.000 0.550 132 L N 6.411 127.638 121.223 0.006 0.000 2.341 132 L HA 0.372 4.683 4.340 -0.048 0.000 0.278 132 L C -1.553 175.166 176.870 -0.252 0.000 1.005 132 L CA -1.949 52.705 54.840 -0.311 0.000 0.818 132 L CB 2.147 43.708 42.059 -0.830 0.000 1.259 132 L HN 0.256 nan 8.230 nan 0.000 0.418 133 P HA -0.152 nan 4.420 nan 0.000 0.225 133 P C 0.807 178.224 177.300 0.195 0.000 1.148 133 P CA 1.129 64.211 63.100 -0.030 0.000 0.779 133 P CB -0.011 31.727 31.700 0.063 0.000 0.780 134 F N -2.534 117.621 119.950 0.341 0.000 2.641 134 F HA 0.414 4.911 4.527 -0.050 0.000 0.302 134 F C 0.311 176.323 175.800 0.353 0.000 1.098 134 F CA -1.720 56.500 58.000 0.366 0.000 1.318 134 F CB -1.568 37.654 39.000 0.371 0.000 1.035 134 F HN -0.338 nan 8.300 nan 0.000 0.551 135 N N 1.564 120.374 118.700 0.183 0.000 2.345 135 N HA -0.059 4.652 4.740 -0.048 0.000 0.243 135 N C 1.396 177.002 175.510 0.159 0.000 1.246 135 N CA 0.837 53.952 53.050 0.108 0.000 0.863 135 N CB 0.842 39.291 38.487 -0.064 0.000 1.096 135 N HN 0.175 nan 8.380 nan 0.000 0.446 136 T N 1.248 115.895 114.554 0.156 0.000 2.737 136 T HA -0.211 4.110 4.350 -0.048 0.000 0.269 136 T C 1.943 176.693 174.700 0.084 0.000 1.040 136 T CA 0.830 63.066 62.100 0.227 0.000 1.142 136 T CB -0.174 68.819 68.868 0.208 0.000 0.861 136 T HN 0.420 nan 8.240 nan 0.000 0.456 137 L N 0.751 121.889 121.223 -0.142 0.000 2.034 137 L HA -0.211 4.100 4.340 -0.048 0.000 0.217 137 L C 2.018 178.861 176.870 -0.045 0.000 1.077 137 L CA 1.912 56.610 54.840 -0.238 0.000 0.769 137 L CB -0.925 40.766 42.059 -0.613 0.000 0.890 137 L HN 0.336 nan 8.230 nan 0.000 0.435 138 Y N -0.934 119.564 120.300 0.332 0.000 2.365 138 Y HA 0.003 4.528 4.550 -0.041 0.000 0.293 138 Y C 2.628 178.727 175.900 0.331 0.000 1.119 138 Y CA 0.741 59.070 58.100 0.381 0.000 1.203 138 Y CB -0.868 37.778 38.460 0.311 0.000 1.026 138 Y HN 0.305 nan 8.280 nan 0.000 0.549 139 Q N 0.196 120.260 119.800 0.440 0.000 2.050 139 Q HA -0.154 4.157 4.340 -0.048 0.000 0.202 139 Q C 2.185 178.429 176.000 0.407 0.000 0.980 139 Q CA 1.600 57.676 55.803 0.455 0.000 0.840 139 Q CB -0.377 28.718 28.738 0.595 0.000 0.898 139 Q HN 0.491 nan 8.270 nan 0.000 0.424 140 L N 0.089 121.501 121.223 0.314 0.000 2.093 140 L HA -0.181 4.130 4.340 -0.048 0.000 0.208 140 L C 2.582 179.543 176.870 0.152 0.000 1.085 140 L CA 0.877 55.839 54.840 0.204 0.000 0.755 140 L CB -0.295 41.814 42.059 0.083 0.000 0.904 140 L HN 0.118 nan 8.230 nan 0.000 0.435 141 R N 0.719 121.298 120.500 0.132 0.000 2.083 141 R HA -0.174 4.137 4.340 -0.048 0.000 0.237 141 R C 2.253 178.581 176.300 0.047 0.000 1.137 141 R CA 1.817 57.900 56.100 -0.028 0.000 0.951 141 R CB -0.667 29.563 30.300 -0.115 0.000 0.851 141 R HN 0.317 nan 8.270 nan 0.000 0.434 142 A N 0.570 123.490 122.820 0.166 0.000 1.883 142 A HA -0.164 4.127 4.320 -0.048 0.000 0.217 142 A C 2.119 179.792 177.584 0.148 0.000 1.186 142 A CA 1.679 53.817 52.037 0.169 0.000 0.624 142 A CB -0.878 18.260 19.000 0.230 0.000 0.822 142 A HN 0.409 nan 8.150 nan 0.000 0.444 143 L N 0.404 121.736 121.223 0.181 0.000 1.994 143 L HA -0.155 4.156 4.340 -0.048 0.000 0.208 143 L C 2.733 179.675 176.870 0.120 0.000 1.071 143 L CA 3.196 58.135 54.840 0.164 0.000 0.745 143 L CB -1.014 41.188 42.059 0.238 0.000 0.892 143 L HN 0.559 nan 8.230 nan 0.000 0.431 144 T N -4.096 110.525 114.554 0.110 0.000 2.951 144 T HA -0.078 4.243 4.350 -0.048 0.000 0.268 144 T C 1.712 176.431 174.700 0.031 0.000 1.073 144 T CA 1.035 63.182 62.100 0.078 0.000 1.134 144 T CB -0.408 68.492 68.868 0.054 0.000 0.884 144 T HN 0.385 nan 8.240 nan 0.000 0.479 145 E N 1.532 121.740 120.200 0.015 0.000 2.076 145 E HA -0.000 4.321 4.350 -0.048 0.000 0.190 145 E C 2.357 178.976 176.600 0.033 0.000 0.979 145 E CA 0.998 57.399 56.400 0.002 0.000 0.807 145 E CB -0.170 29.518 29.700 -0.020 0.000 0.761 145 E HN 0.703 nan 8.360 nan 0.000 0.454 146 Q N -0.168 119.668 119.800 0.060 0.000 2.376 146 Q HA 0.043 4.354 4.340 -0.048 0.000 0.206 146 Q C 0.527 176.569 176.000 0.070 0.000 0.921 146 Q CA 0.433 56.281 55.803 0.075 0.000 0.911 146 Q CB 0.428 29.234 28.738 0.112 0.000 1.032 146 Q HN -0.015 nan 8.270 nan 0.000 0.510 147 Q N -0.059 119.779 119.800 0.063 0.000 2.470 147 Q HA 0.124 4.435 4.340 -0.048 0.000 0.389 147 Q C -1.982 174.049 176.000 0.053 0.000 0.888 147 Q CA -1.372 54.460 55.803 0.049 0.000 1.106 147 Q CB 1.072 29.829 28.738 0.032 0.000 1.368 147 Q HN 0.075 nan 8.270 nan 0.000 0.403 148 P HA -0.230 nan 4.420 nan 0.000 0.219 148 P C 0.879 178.212 177.300 0.054 0.000 1.146 148 P CA 1.229 64.357 63.100 0.048 0.000 0.808 148 P CB 0.423 32.143 31.700 0.032 0.000 0.779 149 E N 0.908 121.142 120.200 0.056 0.000 2.268 149 E HA -0.126 4.195 4.350 -0.048 0.000 0.195 149 E C 2.011 178.690 176.600 0.132 0.000 0.995 149 E CA 0.813 57.258 56.400 0.076 0.000 0.836 149 E CB -1.349 28.390 29.700 0.065 0.000 0.763 149 E HN 0.316 nan 8.360 nan 0.000 0.491 150 L N 0.347 121.631 121.223 0.102 0.000 2.217 150 L HA 0.014 4.325 4.340 -0.048 0.000 0.211 150 L C 2.660 179.602 176.870 0.120 0.000 1.107 150 L CA 0.455 55.367 54.840 0.119 0.000 0.783 150 L CB -0.398 41.675 42.059 0.023 0.000 0.919 150 L HN 0.018 nan 8.230 nan 0.000 0.442 151 I N 0.571 121.195 120.570 0.090 0.000 2.151 151 I HA -0.235 3.906 4.170 -0.048 0.000 0.243 151 I C -0.290 175.869 176.117 0.069 0.000 1.080 151 I CA 1.576 62.942 61.300 0.110 0.000 1.339 151 I CB -1.442 36.650 38.000 0.153 0.000 1.039 151 I HN 0.222 nan 8.210 nan 0.000 0.409 152 P HA -0.142 nan 4.420 nan 0.000 0.222 152 P C 1.056 178.232 177.300 -0.207 0.000 1.147 152 P CA 1.531 64.555 63.100 -0.128 0.000 0.790 152 P CB -0.151 31.402 31.700 -0.245 0.000 0.780 153 H N -1.702 117.338 119.070 -0.050 0.000 2.535 153 H HA 0.146 4.673 4.556 -0.049 0.000 0.273 153 H C 0.729 175.962 175.328 -0.159 0.000 0.983 153 H CA -0.059 55.939 56.048 -0.083 0.000 1.238 153 H CB -0.386 29.330 29.762 -0.077 0.000 1.412 153 H HN 0.118 nan 8.280 nan 0.000 0.562 154 I N 1.010 121.481 120.570 -0.164 0.000 2.452 154 I HA 0.057 4.198 4.170 -0.048 0.000 0.287 154 I C 0.937 176.757 176.117 -0.496 0.000 1.079 154 I CA -0.181 60.829 61.300 -0.484 0.000 1.387 154 I CB 1.458 38.832 38.000 -1.043 0.000 1.404 154 I HN 0.236 nan 8.210 nan 0.000 0.522 155 A N 6.108 128.668 122.820 -0.432 0.000 1.993 155 A HA 0.212 4.503 4.320 -0.048 0.000 0.207 155 A C 0.674 177.792 177.584 -0.776 0.000 1.224 155 A CA 0.749 52.522 52.037 -0.440 0.000 0.749 155 A CB 0.242 19.108 19.000 -0.224 0.000 0.884 155 A HN 0.701 nan 8.150 nan 0.000 0.467 156 H N -1.768 117.088 119.070 -0.357 0.000 2.996 156 H HA 0.593 5.117 4.556 -0.053 0.000 0.368 156 H C -1.165 173.925 175.328 -0.397 0.000 1.185 156 H CA -0.244 55.648 56.048 -0.261 0.000 1.160 156 H CB 1.763 31.486 29.762 -0.065 0.000 1.820 156 H HN 0.284 nan 8.280 nan 0.000 0.547 157 A N 3.273 125.921 122.820 -0.285 0.000 2.318 157 A HA 0.608 4.899 4.320 -0.048 0.000 0.317 157 A C -0.748 176.828 177.584 -0.014 0.000 1.159 157 A CA -0.614 51.256 52.037 -0.278 0.000 0.799 157 A CB 0.580 19.245 19.000 -0.559 0.000 1.194 157 A HN 0.483 nan 8.150 nan 0.000 0.479 158 L N 3.466 124.692 121.223 0.004 0.000 2.313 158 L HA 0.421 4.732 4.340 -0.048 0.000 0.283 158 L C -0.282 176.634 176.870 0.076 0.000 1.013 158 L CA -0.606 54.207 54.840 -0.044 0.000 0.816 158 L CB 1.600 43.558 42.059 -0.169 0.000 1.236 158 L HN 0.634 nan 8.230 nan 0.000 0.419 159 L N 2.327 123.618 121.223 0.114 0.000 2.482 159 L HA 0.001 4.312 4.340 -0.048 0.000 0.273 159 L C 1.465 178.320 176.870 -0.024 0.000 1.228 159 L CA -0.260 54.651 54.840 0.117 0.000 0.827 159 L CB 0.356 42.496 42.059 0.135 0.000 1.099 159 L HN 0.740 nan 8.230 nan 0.000 0.494 160 M N 2.829 122.356 119.600 -0.122 0.000 2.089 160 M HA -0.127 4.324 4.480 -0.048 0.000 0.257 160 M C -0.981 175.251 176.300 -0.113 0.000 1.071 160 M CA 2.388 57.543 55.300 -0.242 0.000 1.096 160 M CB -1.138 31.115 32.600 -0.579 0.000 1.330 160 M HN 0.365 nan 8.290 nan 0.000 0.403 161 P HA -0.114 nan 4.420 nan 0.000 0.216 161 P C 0.825 178.123 177.300 -0.003 0.000 1.153 161 P CA 1.441 64.544 63.100 0.005 0.000 0.848 161 P CB -0.256 31.420 31.700 -0.040 0.000 0.787 162 D N -1.867 118.494 120.400 -0.066 0.000 2.219 162 D HA -0.175 4.436 4.640 -0.048 0.000 0.205 162 D C 1.852 178.082 176.300 -0.118 0.000 0.970 162 D CA 0.968 54.891 54.000 -0.130 0.000 0.851 162 D CB -0.701 39.950 40.800 -0.248 0.000 0.943 162 D HN 0.192 nan 8.370 nan 0.000 0.488 163 Y N 0.918 121.072 120.300 -0.243 0.000 2.145 163 Y HA -0.253 4.266 4.550 -0.051 0.000 0.286 163 Y C 1.926 177.681 175.900 -0.242 0.000 1.145 163 Y CA 1.469 59.398 58.100 -0.285 0.000 1.148 163 Y CB -0.616 37.560 38.460 -0.473 0.000 0.981 163 Y HN -0.181 nan 8.280 nan 0.000 0.507 164 F N -0.253 119.576 119.950 -0.201 0.000 2.186 164 F HA -0.138 4.362 4.527 -0.045 0.000 0.299 164 F C 2.640 178.289 175.800 -0.252 0.000 1.090 164 F CA 1.526 59.347 58.000 -0.299 0.000 1.307 164 F CB -1.078 37.833 39.000 -0.148 0.000 1.019 164 F HN -0.060 nan 8.300 nan 0.000 0.489 165 S N -0.835 114.854 115.700 -0.019 0.000 2.382 165 S HA -0.254 4.187 4.470 -0.048 0.000 0.228 165 S C 1.875 176.435 174.600 -0.067 0.000 1.027 165 S CA 1.295 59.463 58.200 -0.053 0.000 0.991 165 S CB -0.721 62.447 63.200 -0.052 0.000 0.823 165 S HN 0.528 nan 8.310 nan 0.000 0.469 166 Y N 2.688 122.852 120.300 -0.226 0.000 2.200 166 Y HA -0.039 4.487 4.550 -0.040 0.000 0.290 166 Y C 2.187 177.963 175.900 -0.207 0.000 1.137 166 Y CA 1.258 59.223 58.100 -0.225 0.000 1.163 166 Y CB -0.205 38.093 38.460 -0.269 0.000 0.988 166 Y HN -0.009 nan 8.280 nan 0.000 0.518 167 R N 0.419 120.613 120.500 -0.511 0.000 2.152 167 R HA -0.082 4.229 4.340 -0.048 0.000 0.232 167 R C 2.180 178.315 176.300 -0.274 0.000 1.117 167 R CA 1.383 57.177 56.100 -0.509 0.000 0.981 167 R CB -0.780 29.257 30.300 -0.439 0.000 0.870 167 R HN 0.459 nan 8.270 nan 0.000 0.451 168 L N -0.175 120.944 121.223 -0.173 0.000 2.162 168 L HA -0.034 4.277 4.340 -0.048 0.000 0.205 168 L C 2.296 179.219 176.870 0.088 0.000 1.086 168 L CA 1.619 56.452 54.840 -0.013 0.000 0.778 168 L CB -0.502 41.480 42.059 -0.128 0.000 0.928 168 L HN 0.243 nan 8.230 nan 0.000 0.446 169 T N -4.696 109.841 114.554 -0.028 0.000 3.023 169 T HA 0.238 4.559 4.350 -0.048 0.000 0.249 169 T C 1.522 176.197 174.700 -0.042 0.000 1.050 169 T CA 0.591 62.699 62.100 0.014 0.000 1.088 169 T CB 0.758 69.637 68.868 0.018 0.000 0.946 169 T HN 0.387 nan 8.240 nan 0.000 0.480 170 G N 1.630 110.319 108.800 -0.185 0.000 2.159 170 G HA2 -0.195 3.736 3.960 -0.048 0.000 0.256 170 G HA3 -0.195 3.736 3.960 -0.048 0.000 0.256 170 G C -0.072 174.886 174.900 0.097 0.000 0.977 170 G CA 0.188 45.179 45.100 -0.182 0.000 0.652 170 G HN 0.633 nan 8.290 nan 0.000 0.531 171 K N 0.051 120.529 120.400 0.130 0.000 2.259 171 K HA 0.698 4.989 4.320 -0.048 0.000 0.249 171 K C 0.401 177.067 176.600 0.110 0.000 0.942 171 K CA -0.630 55.735 56.287 0.131 0.000 0.816 171 K CB 1.493 34.030 32.500 0.061 0.000 1.155 171 K HN 0.269 nan 8.250 nan 0.000 0.428 172 M N 1.474 121.041 119.600 -0.055 0.000 2.367 172 M HA 0.343 4.794 4.480 -0.048 0.000 0.339 172 M C 0.102 176.175 176.300 -0.379 0.000 1.177 172 M CA -0.447 54.632 55.300 -0.368 0.000 1.068 172 M CB 1.332 33.578 32.600 -0.590 0.000 1.602 172 M HN 0.487 nan 8.290 nan 0.000 0.457 173 N N 1.293 119.601 118.700 -0.654 0.000 2.277 173 N HA 0.406 5.117 4.740 -0.048 0.000 0.286 173 N C -2.215 172.961 175.510 -0.557 0.000 1.140 173 N CA -0.446 52.403 53.050 -0.335 0.000 0.799 173 N CB 2.394 40.791 38.487 -0.150 0.000 1.596 173 N HN 0.680 nan 8.380 nan 0.000 0.473 174 W N 2.589 123.967 121.300 0.130 0.000 2.485 174 W HA 0.230 4.917 4.660 0.044 0.000 0.297 174 W C 0.130 176.718 176.519 0.114 0.000 0.999 174 W CA -0.474 56.993 57.345 0.203 0.000 1.512 174 W CB 1.044 30.739 29.460 0.392 0.000 1.322 174 W HN 0.408 nan 8.180 nan 0.000 0.419 175 E N 2.152 122.455 120.200 0.170 0.000 2.316 175 E HA -0.064 4.257 4.350 -0.048 0.000 0.275 175 E C 0.590 177.225 176.600 0.057 0.000 1.029 175 E CA -0.067 56.388 56.400 0.092 0.000 0.871 175 E CB 1.192 30.913 29.700 0.035 0.000 1.022 175 E HN 0.499 nan 8.360 nan 0.000 0.418 176 Y N 4.463 124.690 120.300 -0.122 0.000 2.097 176 Y HA -0.329 4.188 4.550 -0.056 0.000 0.282 176 Y C 2.312 178.123 175.900 -0.148 0.000 1.152 176 Y CA 3.132 61.094 58.100 -0.229 0.000 1.136 176 Y CB -0.575 37.616 38.460 -0.448 0.000 0.975 176 Y HN 0.647 nan 8.280 nan 0.000 0.498 177 T N -1.443 112.938 114.554 -0.288 0.000 2.720 177 T HA -0.245 4.076 4.350 -0.048 0.000 0.268 177 T C 1.830 176.367 174.700 -0.273 0.000 1.037 177 T CA 1.853 63.739 62.100 -0.357 0.000 1.144 177 T CB -0.806 68.017 68.868 -0.074 0.000 0.864 177 T HN 0.407 nan 8.240 nan 0.000 0.444 178 N N 1.813 120.421 118.700 -0.153 0.000 2.250 178 N HA 0.186 4.897 4.740 -0.048 0.000 0.181 178 N C 2.173 177.586 175.510 -0.161 0.000 1.017 178 N CA 1.259 54.214 53.050 -0.158 0.000 0.866 178 N CB -0.745 37.704 38.487 -0.065 0.000 0.985 178 N HN 0.550 nan 8.380 nan 0.000 0.429 179 A N -0.219 122.524 122.820 -0.127 0.000 1.958 179 A HA -0.227 4.064 4.320 -0.048 0.000 0.221 179 A C 2.244 179.685 177.584 -0.238 0.000 1.178 179 A CA 2.604 54.572 52.037 -0.115 0.000 0.642 179 A CB -1.580 17.233 19.000 -0.311 0.000 0.816 179 A HN 0.596 nan 8.150 nan 0.000 0.453 180 T N -2.285 112.041 114.554 -0.380 0.000 2.915 180 T HA -0.149 4.172 4.350 -0.048 0.000 0.269 180 T C 1.749 176.305 174.700 -0.239 0.000 1.071 180 T CA 2.037 63.932 62.100 -0.342 0.000 1.132 180 T CB -1.320 67.299 68.868 -0.416 0.000 0.878 180 T HN 0.715 nan 8.240 nan 0.000 0.479 181 T N 0.739 115.139 114.554 -0.256 0.000 3.007 181 T HA -0.124 4.197 4.350 -0.048 0.000 0.270 181 T C 2.069 176.690 174.700 -0.130 0.000 1.107 181 T CA 1.519 63.473 62.100 -0.244 0.000 1.118 181 T CB -1.265 67.358 68.868 -0.409 0.000 0.889 181 T HN 0.661 nan 8.240 nan 0.000 0.506 182 T N -1.088 113.426 114.554 -0.067 0.000 2.995 182 T HA -0.008 4.313 4.350 -0.048 0.000 0.269 182 T C 1.278 175.931 174.700 -0.078 0.000 1.091 182 T CA 1.004 63.106 62.100 0.003 0.000 1.128 182 T CB -0.715 68.229 68.868 0.126 0.000 0.891 182 T HN 0.560 nan 8.240 nan 0.000 0.492 183 Q N -0.372 119.350 119.800 -0.129 0.000 2.494 183 Q HA -0.152 4.159 4.340 -0.048 0.000 0.266 183 Q C 0.338 176.257 176.000 -0.135 0.000 1.053 183 Q CA 0.603 56.300 55.803 -0.177 0.000 1.029 183 Q CB -1.656 26.931 28.738 -0.251 0.000 1.423 183 Q HN 0.708 nan 8.270 nan 0.000 0.516 184 L N -1.288 119.900 121.223 -0.057 0.000 2.817 184 L HA 0.282 4.593 4.340 -0.048 0.000 0.248 184 L C 0.084 176.969 176.870 0.026 0.000 1.133 184 L CA -0.150 54.698 54.840 0.015 0.000 0.935 184 L CB 1.189 43.301 42.059 0.088 0.000 1.266 184 L HN -0.034 nan 8.230 nan 0.000 0.535 185 V N 1.288 121.141 119.914 -0.102 0.000 2.407 185 V HA 0.151 4.242 4.120 -0.048 0.000 0.278 185 V C 0.259 176.265 176.094 -0.147 0.000 1.037 185 V CA -0.639 61.529 62.300 -0.221 0.000 0.900 185 V CB 1.416 33.013 31.823 -0.377 0.000 0.983 185 V HN 0.214 nan 8.190 nan 0.000 0.459 186 N N 3.765 122.390 118.700 -0.124 0.000 2.452 186 N HA 0.081 4.792 4.740 -0.048 0.000 0.266 186 N C 0.944 176.411 175.510 -0.072 0.000 1.175 186 N CA 0.041 53.037 53.050 -0.091 0.000 0.945 186 N CB 1.170 39.615 38.487 -0.070 0.000 1.063 186 N HN 0.774 nan 8.380 nan 0.000 0.472 187 I N 4.067 124.593 120.570 -0.073 0.000 2.756 187 I HA -0.216 3.925 4.170 -0.048 0.000 0.262 187 I C 0.937 177.051 176.117 -0.004 0.000 1.225 187 I CA 1.133 62.414 61.300 -0.031 0.000 1.472 187 I CB 0.093 38.030 38.000 -0.106 0.000 1.094 187 I HN 0.590 nan 8.210 nan 0.000 0.454 188 N N -0.959 117.721 118.700 -0.033 0.000 2.405 188 N HA -0.061 4.650 4.740 -0.048 0.000 0.175 188 N C 1.559 177.057 175.510 -0.020 0.000 1.051 188 N CA 0.877 53.911 53.050 -0.026 0.000 0.899 188 N CB 0.246 38.710 38.487 -0.039 0.000 1.000 188 N HN 0.304 nan 8.380 nan 0.000 0.451 189 S N -0.919 114.763 115.700 -0.031 0.000 2.526 189 S HA 0.132 4.573 4.470 -0.048 0.000 0.220 189 S C 0.040 174.604 174.600 -0.060 0.000 1.017 189 S CA -0.195 57.979 58.200 -0.043 0.000 0.930 189 S CB 0.407 63.576 63.200 -0.052 0.000 0.856 189 S HN -0.037 nan 8.310 nan 0.000 0.497 190 D N 1.321 121.692 120.400 -0.048 0.000 2.983 190 D HA -0.113 4.498 4.640 -0.048 0.000 0.225 190 D C -0.520 175.663 176.300 -0.196 0.000 1.174 190 D CA 1.681 55.642 54.000 -0.066 0.000 0.831 190 D CB -1.210 39.522 40.800 -0.114 0.000 1.104 190 D HN 0.577 nan 8.370 nan 0.000 0.421 191 D N -1.730 118.536 120.400 -0.223 0.000 2.477 191 D HA 0.386 4.997 4.640 -0.048 0.000 0.234 191 D C -0.427 175.673 176.300 -0.333 0.000 1.048 191 D CA -0.748 53.055 54.000 -0.327 0.000 0.959 191 D CB 0.625 41.333 40.800 -0.153 0.000 1.408 191 D HN -0.061 nan 8.370 nan 0.000 0.496 192 W N 1.292 122.504 121.300 -0.148 0.000 2.257 192 W HA 0.107 4.707 4.660 -0.100 0.000 0.337 192 W C 1.017 177.439 176.519 -0.161 0.000 1.321 192 W CA -0.246 56.972 57.345 -0.212 0.000 1.267 192 W CB 0.238 29.501 29.460 -0.327 0.000 1.187 192 W HN 0.096 nan 8.180 nan 0.000 0.565 193 D N 3.742 124.177 120.400 0.059 0.000 2.325 193 D HA -0.034 4.577 4.640 -0.048 0.000 0.251 193 D C 0.974 177.278 176.300 0.007 0.000 1.196 193 D CA 0.034 54.038 54.000 0.007 0.000 0.866 193 D CB 1.023 41.812 40.800 -0.019 0.000 1.101 193 D HN 0.473 nan 8.370 nan 0.000 0.476 194 E N 1.950 122.149 120.200 -0.002 0.000 2.110 194 E HA -0.172 4.149 4.350 -0.048 0.000 0.193 194 E C 1.887 178.483 176.600 -0.008 0.000 0.988 194 E CA 1.053 57.444 56.400 -0.015 0.000 0.804 194 E CB -0.099 29.591 29.700 -0.017 0.000 0.745 194 E HN 0.598 nan 8.360 nan 0.000 0.458 195 S N 0.682 116.386 115.700 0.007 0.000 2.387 195 S HA -0.040 4.401 4.470 -0.048 0.000 0.226 195 S C 2.215 176.854 174.600 0.063 0.000 1.026 195 S CA 0.495 58.714 58.200 0.031 0.000 0.972 195 S CB -0.436 62.780 63.200 0.025 0.000 0.814 195 S HN 0.153 nan 8.310 nan 0.000 0.477 196 L N 0.594 121.840 121.223 0.038 0.000 2.072 196 L HA 0.084 4.395 4.340 -0.048 0.000 0.205 196 L C 2.679 179.596 176.870 0.077 0.000 1.079 196 L CA 0.832 55.708 54.840 0.059 0.000 0.752 196 L CB -0.665 41.393 42.059 -0.002 0.000 0.906 196 L HN 0.285 nan 8.230 nan 0.000 0.436 197 L N 0.046 121.266 121.223 -0.005 0.000 2.012 197 L HA -0.252 4.059 4.340 -0.048 0.000 0.210 197 L C 2.944 179.787 176.870 -0.045 0.000 1.073 197 L CA 1.375 56.170 54.840 -0.074 0.000 0.748 197 L CB -0.730 41.236 42.059 -0.156 0.000 0.891 197 L HN 0.272 nan 8.230 nan 0.000 0.431 198 A N -0.693 122.121 122.820 -0.011 0.000 1.883 198 A HA -0.303 3.988 4.320 -0.048 0.000 0.217 198 A C 2.005 179.615 177.584 0.045 0.000 1.186 198 A CA 1.935 53.966 52.037 -0.009 0.000 0.624 198 A CB -1.193 17.815 19.000 0.014 0.000 0.822 198 A HN 0.649 nan 8.150 nan 0.000 0.444 199 W N 1.622 122.901 121.300 -0.035 0.000 2.358 199 W HA -0.229 4.396 4.660 -0.059 0.000 0.303 199 W C 2.731 179.254 176.519 0.006 0.000 1.208 199 W CA 2.669 60.014 57.345 -0.000 0.000 1.274 199 W CB -0.222 29.255 29.460 0.029 0.000 1.138 199 W HN 0.435 nan 8.180 nan 0.000 0.515 200 S N -0.233 115.579 115.700 0.188 0.000 2.419 200 S HA -0.005 4.436 4.470 -0.048 0.000 0.233 200 S C 1.892 176.412 174.600 -0.133 0.000 1.016 200 S CA 1.698 59.914 58.200 0.027 0.000 0.974 200 S CB -0.844 62.416 63.200 0.099 0.000 0.786 200 S HN 1.018 nan 8.310 nan 0.000 0.492 201 G N 0.661 109.370 108.800 -0.151 0.000 2.195 201 G HA2 -0.080 3.851 3.960 -0.048 0.000 0.246 201 G HA3 -0.080 3.851 3.960 -0.048 0.000 0.246 201 G C 0.277 175.024 174.900 -0.256 0.000 0.984 201 G CA 0.100 45.098 45.100 -0.170 0.000 0.633 201 G HN 1.366 nan 8.290 nan 0.000 0.525 202 A N -0.124 122.526 122.820 -0.284 0.000 2.386 202 A HA 0.609 4.900 4.320 -0.048 0.000 0.248 202 A C 0.377 177.488 177.584 -0.788 0.000 1.082 202 A CA 0.415 52.079 52.037 -0.623 0.000 0.789 202 A CB 0.438 19.339 19.000 -0.164 0.000 1.025 202 A HN 0.644 nan 8.150 nan 0.000 0.490 203 N N 0.375 118.200 118.700 -1.458 0.000 2.419 203 N HA 0.121 4.832 4.740 -0.048 0.000 0.277 203 N C 1.131 176.270 175.510 -0.618 0.000 1.006 203 N CA -0.590 51.814 53.050 -1.075 0.000 0.923 203 N CB 1.253 38.832 38.487 -1.513 0.000 1.140 203 N HN 0.581 nan 8.380 nan 0.000 0.488 204 K N 2.547 122.744 120.400 -0.340 0.000 2.160 204 K HA -0.148 4.143 4.320 -0.048 0.000 0.206 204 K C 1.193 177.711 176.600 -0.136 0.000 1.047 204 K CA 1.390 57.562 56.287 -0.191 0.000 0.930 204 K CB -0.679 31.733 32.500 -0.148 0.000 0.720 204 K HN 0.452 nan 8.250 nan 0.000 0.450 205 A N 0.800 123.511 122.820 -0.183 0.000 2.172 205 A HA -0.075 4.216 4.320 -0.048 0.000 0.216 205 A C 1.323 178.872 177.584 -0.058 0.000 1.154 205 A CA 0.555 52.525 52.037 -0.112 0.000 0.701 205 A CB -0.785 18.161 19.000 -0.091 0.000 0.789 205 A HN 0.427 nan 8.150 nan 0.000 0.465 206 W N -1.321 119.773 121.300 -0.343 0.000 2.800 206 W HA 0.268 4.920 4.660 -0.013 0.000 0.249 206 W C 0.138 176.211 176.519 -0.742 0.000 1.294 206 W CA -0.301 56.689 57.345 -0.592 0.000 1.402 206 W CB -0.917 28.055 29.460 -0.814 0.000 1.126 206 W HN 0.233 nan 8.180 nan 0.000 0.652 207 F N -0.733 119.000 119.950 -0.362 0.000 2.790 207 F HA 0.790 5.258 4.527 -0.100 0.000 0.386 207 F C 1.023 175.915 175.800 -1.512 0.000 1.206 207 F CA -1.051 56.318 58.000 -1.053 0.000 1.109 207 F CB 0.245 38.448 39.000 -1.328 0.000 1.469 207 F HN -0.333 nan 8.300 nan 0.000 0.513 208 G N -0.464 107.322 108.800 -1.690 0.000 2.672 208 G HA2 0.498 4.429 3.960 -0.048 0.000 0.292 208 G HA3 0.498 4.429 3.960 -0.048 0.000 0.292 208 G C -1.788 173.113 174.900 0.003 0.000 1.375 208 G CA -1.183 43.460 45.100 -0.762 0.000 0.890 208 G HN 0.579 nan 8.290 nan 0.000 0.476 209 R N 0.896 121.441 120.500 0.074 0.000 2.502 209 R HA 0.174 4.484 4.340 -0.048 0.000 0.292 209 R C -2.120 174.235 176.300 0.091 0.000 0.998 209 R CA -0.599 55.543 56.100 0.070 0.000 1.056 209 R CB 0.110 30.425 30.300 0.026 0.000 0.939 209 R HN 0.156 nan 8.270 nan 0.000 0.411 210 P HA 0.018 nan 4.420 nan 0.000 0.268 210 P C -1.105 176.154 177.300 -0.069 0.000 1.204 210 P CA 0.155 63.230 63.100 -0.043 0.000 0.768 210 P CB 0.981 32.518 31.700 -0.273 0.000 0.842 211 T N -0.446 114.109 114.554 0.001 0.000 2.807 211 T HA 0.418 4.739 4.350 -0.048 0.000 0.279 211 T C -0.205 174.454 174.700 -0.069 0.000 0.993 211 T CA -0.836 61.247 62.100 -0.028 0.000 0.970 211 T CB 0.267 69.180 68.868 0.075 0.000 0.950 211 T HN 0.272 nan 8.240 nan 0.000 0.441 212 H N 2.458 121.521 119.070 -0.011 0.000 2.771 212 H HA 0.321 4.851 4.556 -0.044 0.000 0.364 212 H C -2.094 173.239 175.328 0.008 0.000 1.133 212 H CA -0.667 55.366 56.048 -0.025 0.000 1.423 212 H CB 0.118 29.794 29.762 -0.144 0.000 1.425 212 H HN 0.439 nan 8.280 nan 0.000 0.606 213 P HA 0.060 nan 4.420 nan 0.000 0.269 213 P C 0.790 178.106 177.300 0.027 0.000 1.209 213 P CA 0.817 63.951 63.100 0.058 0.000 0.776 213 P CB 0.802 32.523 31.700 0.034 0.000 0.876 214 G N 1.030 109.830 108.800 -0.000 0.000 2.480 214 G HA2 -0.157 3.774 3.960 -0.048 0.000 0.193 214 G HA3 -0.157 3.774 3.960 -0.048 0.000 0.193 214 G C 0.091 174.983 174.900 -0.013 0.000 1.004 214 G CA -0.339 44.751 45.100 -0.017 0.000 0.696 214 G HN 0.760 nan 8.290 nan 0.000 0.478 215 N N 1.096 119.797 118.700 0.002 0.000 2.453 215 N HA 0.310 5.021 4.740 -0.048 0.000 0.253 215 N C 0.104 175.603 175.510 -0.019 0.000 1.252 215 N CA 0.191 53.242 53.050 0.002 0.000 0.917 215 N CB 1.634 40.134 38.487 0.021 0.000 1.117 215 N HN 0.216 nan 8.380 nan 0.000 0.442 216 V N 2.826 122.725 119.914 -0.026 0.000 2.405 216 V HA 0.067 4.158 4.120 -0.048 0.000 0.264 216 V C 1.826 177.884 176.094 -0.060 0.000 1.048 216 V CA -0.440 61.818 62.300 -0.070 0.000 0.966 216 V CB -0.130 31.640 31.823 -0.089 0.000 1.015 216 V HN 0.647 nan 8.190 nan 0.000 0.477 217 I N 3.387 123.915 120.570 -0.071 0.000 2.202 217 I HA 0.098 4.239 4.170 -0.048 0.000 0.242 217 I C 1.434 177.527 176.117 -0.041 0.000 1.091 217 I CA 1.711 62.984 61.300 -0.044 0.000 1.368 217 I CB -0.110 37.861 38.000 -0.049 0.000 1.058 217 I HN 0.800 nan 8.210 nan 0.000 0.410 218 G N -1.794 106.941 108.800 -0.108 0.000 2.450 218 G HA2 0.349 4.280 3.960 -0.048 0.000 0.273 218 G HA3 0.349 4.280 3.960 -0.048 0.000 0.273 218 G C -1.691 173.031 174.900 -0.297 0.000 1.221 218 G CA -0.617 44.439 45.100 -0.073 0.000 0.900 218 G HN 0.158 nan 8.290 nan 0.000 0.483 219 H N -1.711 117.390 119.070 0.052 0.000 2.768 219 H HA 0.635 5.162 4.556 -0.048 0.000 0.371 219 H C -1.500 173.908 175.328 0.135 0.000 1.151 219 H CA -0.344 55.749 56.048 0.075 0.000 1.165 219 H CB 2.374 32.154 29.762 0.030 0.000 1.722 219 H HN 0.680 nan 8.280 nan 0.000 0.543 220 W N 3.653 124.990 121.300 0.062 0.000 2.719 220 W HA 0.643 5.273 4.660 -0.050 0.000 0.352 220 W C -1.667 174.869 176.519 0.029 0.000 1.085 220 W CA -0.809 56.547 57.345 0.017 0.000 1.187 220 W CB 1.184 30.634 29.460 -0.017 0.000 1.417 220 W HN 0.361 nan 8.180 nan 0.000 0.557 221 I N 5.145 125.037 120.570 -1.131 0.000 2.410 221 I HA 0.169 4.310 4.170 -0.048 0.000 0.286 221 I C 0.070 175.309 176.117 -1.464 0.000 1.009 221 I CA -0.931 59.813 61.300 -0.926 0.000 1.111 221 I CB 0.300 37.980 38.000 -0.533 0.000 1.262 221 I HN 0.353 nan 8.210 nan 0.000 0.443 222 c N 7.736 125.763 118.600 -0.956 0.000 2.745 222 c HA 0.057 4.598 4.570 -0.048 0.000 0.387 222 c C -0.390 173.471 174.090 -0.382 0.000 1.312 222 c CA -0.335 55.634 56.329 -0.600 0.000 2.204 222 c CB -0.176 42.221 42.510 -0.189 0.000 2.686 222 c HN 0.598 nan 8.230 nan 0.000 0.705 223 P HA -0.188 nan 4.420 nan 0.000 0.223 223 P C 1.388 178.618 177.300 -0.117 0.000 1.140 223 P CA 1.419 64.441 63.100 -0.131 0.000 0.783 223 P CB -0.156 31.509 31.700 -0.058 0.000 0.759 224 Q N -1.536 118.191 119.800 -0.121 0.000 2.020 224 Q HA 0.008 4.319 4.340 -0.048 0.000 0.198 224 Q C 1.548 177.485 176.000 -0.106 0.000 0.974 224 Q CA 1.769 57.517 55.803 -0.092 0.000 0.829 224 Q CB -0.788 27.907 28.738 -0.071 0.000 0.894 224 Q HN 0.195 nan 8.270 nan 0.000 0.433 225 G N 0.736 109.449 108.800 -0.146 0.000 2.318 225 G HA2 -0.183 3.748 3.960 -0.048 0.000 0.172 225 G HA3 -0.183 3.748 3.960 -0.048 0.000 0.172 225 G C -0.338 174.484 174.900 -0.130 0.000 1.002 225 G CA -0.120 44.896 45.100 -0.139 0.000 0.697 225 G HN 0.317 nan 8.290 nan 0.000 0.483 226 N N 1.610 120.240 118.700 -0.117 0.000 2.520 226 N HA 0.344 5.055 4.740 -0.048 0.000 0.273 226 N C -0.120 175.342 175.510 -0.081 0.000 1.155 226 N CA 0.100 53.101 53.050 -0.082 0.000 0.967 226 N CB 0.595 39.053 38.487 -0.048 0.000 1.092 226 N HN 0.420 nan 8.380 nan 0.000 0.457 227 E N 2.550 122.718 120.200 -0.054 0.000 2.223 227 E HA 0.228 4.549 4.350 -0.048 0.000 0.282 227 E C -0.310 176.366 176.600 0.127 0.000 1.046 227 E CA -0.111 56.286 56.400 -0.005 0.000 0.857 227 E CB 0.946 30.569 29.700 -0.130 0.000 1.055 227 E HN 0.481 nan 8.360 nan 0.000 0.409 228 I N 6.071 126.764 120.570 0.205 0.000 2.362 228 I HA 0.243 4.384 4.170 -0.048 0.000 0.289 228 I C -2.169 174.076 176.117 0.213 0.000 0.994 228 I CA -2.586 58.848 61.300 0.223 0.000 1.158 228 I CB 1.590 39.738 38.000 0.247 0.000 1.315 228 I HN 0.227 nan 8.210 nan 0.000 0.451 229 P HA 0.060 nan 4.420 nan 0.000 0.271 229 P C -0.515 176.723 177.300 -0.104 0.000 1.220 229 P CA -0.059 62.925 63.100 -0.195 0.000 0.768 229 P CB 1.027 32.657 31.700 -0.117 0.000 0.848 230 V N 5.111 124.932 119.914 -0.156 0.000 2.364 230 V HA 0.145 4.236 4.120 -0.048 0.000 0.272 230 V C 0.609 176.642 176.094 -0.102 0.000 1.036 230 V CA -0.542 61.707 62.300 -0.086 0.000 0.880 230 V CB 1.508 33.298 31.823 -0.054 0.000 0.991 230 V HN 0.275 nan 8.190 nan 0.000 0.460 231 V N 4.321 124.190 119.914 -0.076 0.000 2.481 231 V HA 0.570 4.661 4.120 -0.048 0.000 0.286 231 V C 0.718 176.779 176.094 -0.054 0.000 1.042 231 V CA -0.651 61.610 62.300 -0.066 0.000 0.928 231 V CB 1.745 33.532 31.823 -0.060 0.000 0.986 231 V HN 0.960 nan 8.190 nan 0.000 0.462 232 A N 5.366 128.162 122.820 -0.041 0.000 2.438 232 A HA 0.515 4.806 4.320 -0.048 0.000 0.280 232 A C 0.227 177.794 177.584 -0.029 0.000 1.160 232 A CA -0.082 51.938 52.037 -0.029 0.000 0.821 232 A CB -0.129 18.866 19.000 -0.008 0.000 1.101 232 A HN 1.120 nan 8.150 nan 0.000 0.515 233 V N 0.585 120.476 119.914 -0.038 0.000 3.613 233 V HA 0.794 4.885 4.120 -0.048 0.000 0.283 233 V C 0.869 176.945 176.094 -0.029 0.000 1.052 233 V CA -0.457 61.814 62.300 -0.049 0.000 0.937 233 V CB 0.681 32.462 31.823 -0.071 0.000 1.241 233 V HN 1.324 nan 8.190 nan 0.000 0.429 234 A N 0.946 123.742 122.820 -0.040 0.000 2.785 234 A HA 0.414 4.705 4.320 -0.048 0.000 0.294 234 A C 1.488 179.060 177.584 -0.021 0.000 1.597 234 A CA 0.410 52.434 52.037 -0.022 0.000 1.283 234 A CB -0.922 18.054 19.000 -0.042 0.000 1.088 234 A HN 1.483 nan 8.150 nan 0.000 0.568 235 S N 1.339 117.037 115.700 -0.003 0.000 2.481 235 S HA -0.113 4.328 4.470 -0.048 0.000 0.231 235 S C 0.808 175.426 174.600 0.031 0.000 0.996 235 S CA 0.565 58.762 58.200 -0.005 0.000 0.942 235 S CB -0.586 62.606 63.200 -0.013 0.000 0.768 235 S HN 0.818 nan 8.310 nan 0.000 0.520 236 H N 2.635 121.655 119.070 -0.082 0.000 2.975 236 H HA 0.047 4.575 4.556 -0.046 0.000 0.303 236 H C 1.022 176.313 175.328 -0.061 0.000 1.023 236 H CA 0.146 56.145 56.048 -0.082 0.000 1.473 236 H CB 0.631 30.334 29.762 -0.098 0.000 1.498 236 H HN 0.412 nan 8.280 nan 0.000 0.549 237 D N 3.189 123.569 120.400 -0.034 0.000 2.149 237 D HA -0.222 4.389 4.640 -0.048 0.000 0.194 237 D C 1.494 177.628 176.300 -0.276 0.000 1.001 237 D CA 1.974 55.909 54.000 -0.109 0.000 0.849 237 D CB -0.707 40.107 40.800 0.022 0.000 0.939 237 D HN 0.547 nan 8.370 nan 0.000 0.449 238 T N 0.239 114.428 114.554 -0.609 0.000 2.759 238 T HA -0.036 4.285 4.350 -0.048 0.000 0.269 238 T C 2.112 176.551 174.700 -0.435 0.000 1.042 238 T CA 1.900 63.678 62.100 -0.536 0.000 1.140 238 T CB -0.520 67.972 68.868 -0.626 0.000 0.864 238 T HN 0.456 nan 8.240 nan 0.000 0.455 239 A N 1.284 123.837 122.820 -0.445 0.000 1.902 239 A HA -0.072 4.219 4.320 -0.048 0.000 0.217 239 A C 2.625 180.104 177.584 -0.175 0.000 1.181 239 A CA 1.818 53.721 52.037 -0.223 0.000 0.623 239 A CB -0.825 18.116 19.000 -0.099 0.000 0.818 239 A HN 0.432 nan 8.150 nan 0.000 0.443 240 S N -0.238 115.369 115.700 -0.154 0.000 2.382 240 S HA -0.019 4.422 4.470 -0.048 0.000 0.228 240 S C 2.286 176.828 174.600 -0.097 0.000 1.027 240 S CA 1.116 59.251 58.200 -0.108 0.000 0.991 240 S CB -0.405 62.745 63.200 -0.083 0.000 0.823 240 S HN 0.784 nan 8.310 nan 0.000 0.469 241 A N 0.966 123.709 122.820 -0.129 0.000 1.933 241 A HA -0.029 4.261 4.320 -0.048 0.000 0.218 241 A C 2.305 179.799 177.584 -0.149 0.000 1.175 241 A CA 1.339 53.312 52.037 -0.107 0.000 0.628 241 A CB -0.793 18.144 19.000 -0.105 0.000 0.814 241 A HN 0.345 nan 8.150 nan 0.000 0.444 242 V N 0.235 119.992 119.914 -0.262 0.000 2.358 242 V HA -0.262 3.829 4.120 -0.048 0.000 0.246 242 V C 2.403 178.392 176.094 -0.175 0.000 1.047 242 V CA 1.936 64.010 62.300 -0.376 0.000 1.035 242 V CB -0.688 30.773 31.823 -0.603 0.000 0.658 242 V HN 0.580 nan 8.190 nan 0.000 0.452 243 I N 0.718 121.226 120.570 -0.103 0.000 2.194 243 I HA -0.293 3.848 4.170 -0.048 0.000 0.246 243 I C 2.411 178.596 176.117 0.113 0.000 1.093 243 I CA 1.881 63.182 61.300 0.002 0.000 1.355 243 I CB -0.455 37.534 38.000 -0.018 0.000 1.046 243 I HN 0.310 nan 8.210 nan 0.000 0.413 244 A N -0.460 122.423 122.820 0.105 0.000 2.208 244 A HA 0.096 4.387 4.320 -0.048 0.000 0.209 244 A C 1.222 178.799 177.584 -0.011 0.000 1.161 244 A CA 0.080 52.196 52.037 0.131 0.000 0.782 244 A CB -0.248 18.849 19.000 0.162 0.000 0.816 244 A HN 0.296 nan 8.150 nan 0.000 0.477 245 S N 2.479 118.154 115.700 -0.041 0.000 2.510 245 S HA 0.292 4.733 4.470 -0.048 0.000 0.279 245 S C -2.363 172.133 174.600 -0.172 0.000 1.284 245 S CA -0.613 57.539 58.200 -0.081 0.000 1.059 245 S CB 0.548 63.716 63.200 -0.053 0.000 0.901 245 S HN 0.331 nan 8.310 nan 0.000 0.491 246 P HA 0.144 nan 4.420 nan 0.000 0.226 246 P C -0.594 176.407 177.300 -0.498 0.000 1.783 246 P CA -0.146 62.790 63.100 -0.273 0.000 0.980 246 P CB -0.369 31.249 31.700 -0.137 0.000 1.967 247 L N 2.256 123.258 121.223 -0.369 0.000 2.453 247 L HA 0.073 4.384 4.340 -0.048 0.000 0.272 247 L C 1.050 177.892 176.870 -0.047 0.000 1.182 247 L CA 0.139 54.844 54.840 -0.224 0.000 0.858 247 L CB -0.207 41.844 42.059 -0.013 0.000 1.120 247 L HN 0.280 nan 8.230 nan 0.000 0.474 248 N N 1.873 120.609 118.700 0.059 0.000 2.976 248 N HA 0.548 5.259 4.740 -0.048 0.000 0.255 248 N C 0.098 175.671 175.510 0.106 0.000 1.312 248 N CA -0.291 52.812 53.050 0.088 0.000 0.897 248 N CB 1.277 39.835 38.487 0.118 0.000 1.184 248 N HN 0.828 nan 8.380 nan 0.000 0.497 249 G N 0.835 109.692 108.800 0.095 0.000 2.782 249 G HA2 -0.337 3.594 3.960 -0.048 0.000 0.228 249 G HA3 -0.337 3.594 3.960 -0.048 0.000 0.228 249 G C 0.796 175.771 174.900 0.125 0.000 1.372 249 G CA -0.201 44.956 45.100 0.096 0.000 0.862 249 G HN 0.906 nan 8.290 nan 0.000 0.547 250 S N -0.652 115.109 115.700 0.100 0.000 2.465 250 S HA -0.107 4.334 4.470 -0.048 0.000 0.241 250 S C 1.762 176.409 174.600 0.079 0.000 1.000 250 S CA 1.774 60.031 58.200 0.095 0.000 0.964 250 S CB -0.079 63.145 63.200 0.041 0.000 0.763 250 S HN 0.731 nan 8.310 nan 0.000 0.512 251 R N 1.460 122.017 120.500 0.094 0.000 2.334 251 R HA 0.443 4.754 4.340 -0.048 0.000 0.220 251 R C 0.322 176.808 176.300 0.310 0.000 0.917 251 R CA 0.480 56.639 56.100 0.099 0.000 1.073 251 R CB -0.418 29.913 30.300 0.052 0.000 1.056 251 R HN 0.520 nan 8.270 nan 0.000 0.506 252 A N 0.980 124.006 122.820 0.344 0.000 2.292 252 A HA 0.728 5.019 4.320 -0.048 0.000 0.319 252 A C -0.196 177.583 177.584 0.324 0.000 1.206 252 A CA -0.414 51.835 52.037 0.354 0.000 0.835 252 A CB 0.980 20.159 19.000 0.299 0.000 1.164 252 A HN 0.231 nan 8.150 nan 0.000 0.505 253 A N 1.542 124.386 122.820 0.041 0.000 2.313 253 A HA 0.885 5.176 4.320 -0.048 0.000 0.323 253 A C -0.707 176.825 177.584 -0.086 0.000 1.133 253 A CA -0.535 51.300 52.037 -0.338 0.000 0.847 253 A CB 0.702 19.050 19.000 -1.086 0.000 1.308 253 A HN 1.523 nan 8.150 nan 0.000 0.475 254 Y N -1.524 118.748 120.300 -0.047 0.000 2.524 254 Y HA 0.767 5.288 4.550 -0.049 0.000 0.344 254 Y C -1.090 174.766 175.900 -0.073 0.000 1.012 254 Y CA -2.067 56.028 58.100 -0.010 0.000 1.068 254 Y CB 1.419 39.887 38.460 0.013 0.000 1.249 254 Y HN 0.535 nan 8.280 nan 0.000 0.468 255 L N 2.585 123.875 121.223 0.112 0.000 2.427 255 L HA 0.511 4.822 4.340 -0.048 0.000 0.264 255 L C -0.760 176.152 176.870 0.070 0.000 0.989 255 L CA -0.385 54.456 54.840 0.001 0.000 0.865 255 L CB 1.530 43.445 42.059 -0.240 0.000 1.209 255 L HN 0.778 nan 8.230 nan 0.000 0.430 256 S N 2.960 118.745 115.700 0.140 0.000 2.400 256 S HA 0.400 4.841 4.470 -0.048 0.000 0.295 256 S C -0.071 174.591 174.600 0.102 0.000 1.113 256 S CA -0.093 58.162 58.200 0.093 0.000 1.064 256 S CB 0.068 63.303 63.200 0.058 0.000 0.990 256 S HN 0.712 nan 8.310 nan 0.000 0.502 257 S N 3.958 119.704 115.700 0.076 0.000 2.532 257 S HA 0.728 5.169 4.470 -0.048 0.000 0.318 257 S C 0.378 175.043 174.600 0.109 0.000 1.083 257 S CA -0.167 58.091 58.200 0.097 0.000 1.131 257 S CB 0.144 63.372 63.200 0.046 0.000 0.973 257 S HN 0.927 nan 8.310 nan 0.000 0.468 258 G N 2.396 111.290 108.800 0.156 0.000 3.265 258 G HA2 0.250 4.181 3.960 -0.048 0.000 0.171 258 G HA3 0.250 4.181 3.960 -0.048 0.000 0.171 258 G C 0.816 175.819 174.900 0.171 0.000 1.110 258 G CA 0.087 45.276 45.100 0.148 0.000 0.855 258 G HN 0.438 nan 8.290 nan 0.000 0.658 259 T N 0.163 114.829 114.554 0.188 0.000 2.653 259 T HA -0.100 4.221 4.350 -0.048 0.000 0.268 259 T C 0.348 175.073 174.700 0.041 0.000 1.035 259 T CA 1.489 63.683 62.100 0.157 0.000 1.154 259 T CB -0.232 68.757 68.868 0.201 0.000 0.862 259 T HN 0.288 nan 8.240 nan 0.000 0.441 260 W N 0.851 122.259 121.300 0.179 0.000 2.449 260 W HA 0.536 5.169 4.660 -0.045 0.000 0.331 260 W C -0.165 176.458 176.519 0.174 0.000 1.119 260 W CA -0.733 56.719 57.345 0.177 0.000 1.240 260 W CB 0.928 30.478 29.460 0.150 0.000 1.251 260 W HN -0.192 nan 8.180 nan 0.000 0.576 261 S N 3.308 119.281 115.700 0.456 0.000 2.422 261 S HA 0.415 4.856 4.470 -0.048 0.000 0.308 261 S C -0.783 174.024 174.600 0.345 0.000 1.097 261 S CA -0.644 57.772 58.200 0.360 0.000 1.099 261 S CB 0.094 63.561 63.200 0.445 0.000 0.976 261 S HN 0.108 nan 8.310 nan 0.000 0.471 262 L N 4.378 125.754 121.223 0.254 0.000 2.277 262 L HA 0.515 4.826 4.340 -0.048 0.000 0.284 262 L C -0.244 176.743 176.870 0.196 0.000 1.028 262 L CA -0.361 54.615 54.840 0.227 0.000 0.835 262 L CB 0.515 42.690 42.059 0.193 0.000 1.215 262 L HN 0.642 nan 8.230 nan 0.000 0.425 263 M N 3.037 122.711 119.600 0.123 0.000 2.149 263 M HA 0.738 5.189 4.480 -0.048 0.000 0.342 263 M C -0.009 176.208 176.300 -0.139 0.000 1.068 263 M CA 0.145 55.424 55.300 -0.034 0.000 0.991 263 M CB 1.483 34.071 32.600 -0.020 0.000 1.596 263 M HN 0.612 nan 8.290 nan 0.000 0.439 264 G N 3.691 112.144 108.800 -0.579 0.000 2.561 264 G HA2 0.638 4.569 3.960 -0.048 0.000 0.310 264 G HA3 0.638 4.569 3.960 -0.048 0.000 0.310 264 G C -1.825 172.449 174.900 -1.044 0.000 1.292 264 G CA -0.593 44.132 45.100 -0.626 0.000 0.811 264 G HN 0.903 nan 8.290 nan 0.000 0.482 265 F N -1.756 117.907 119.950 -0.477 0.000 2.706 265 F HA 0.889 5.388 4.527 -0.046 0.000 0.328 265 F C -0.592 175.403 175.800 0.324 0.000 1.123 265 F CA -1.293 56.653 58.000 -0.091 0.000 0.978 265 F CB 1.451 40.568 39.000 0.194 0.000 1.404 265 F HN 0.429 nan 8.300 nan 0.000 0.497 266 E N 0.725 121.224 120.200 0.498 0.000 2.191 266 E HA 0.538 4.859 4.350 -0.048 0.000 0.274 266 E C -1.423 175.421 176.600 0.406 0.000 0.948 266 E CA -0.929 55.676 56.400 0.341 0.000 0.802 266 E CB 2.074 31.956 29.700 0.304 0.000 1.137 266 E HN 0.623 nan 8.360 nan 0.000 0.397 267 S N 1.233 117.123 115.700 0.318 0.000 2.546 267 S HA 0.091 4.532 4.470 -0.048 0.000 0.274 267 S C 0.379 175.177 174.600 0.331 0.000 1.121 267 S CA -0.545 57.889 58.200 0.388 0.000 0.887 267 S CB 1.503 65.014 63.200 0.518 0.000 1.094 267 S HN 0.467 nan 8.310 nan 0.000 0.474 268 Q N 1.200 121.151 119.800 0.252 0.000 2.224 268 Q HA 0.014 4.325 4.340 -0.048 0.000 0.203 268 Q C 0.724 176.900 176.000 0.293 0.000 0.970 268 Q CA 1.137 57.066 55.803 0.211 0.000 0.865 268 Q CB -0.198 28.613 28.738 0.121 0.000 0.922 268 Q HN 0.852 nan 8.270 nan 0.000 0.445 269 T N -1.043 113.608 114.554 0.162 0.000 2.893 269 T HA 0.527 4.848 4.350 -0.048 0.000 0.291 269 T C -2.763 171.707 174.700 -0.384 0.000 1.028 269 T CA -2.200 59.837 62.100 -0.104 0.000 0.995 269 T CB 2.689 71.430 68.868 -0.212 0.000 1.051 269 T HN -0.179 nan 8.240 nan 0.000 0.470 270 P HA 0.406 nan 4.420 nan 0.000 0.274 270 P C -1.212 175.782 177.300 -0.510 0.000 1.246 270 P CA -0.664 62.049 63.100 -0.644 0.000 0.795 270 P CB 0.475 31.696 31.700 -0.798 0.000 1.006 271 F N 0.116 119.986 119.950 -0.133 0.000 2.382 271 F HA 0.281 4.778 4.527 -0.048 0.000 0.361 271 F C 1.206 177.001 175.800 -0.007 0.000 1.109 271 F CA -0.196 57.795 58.000 -0.015 0.000 1.031 271 F CB 1.284 40.335 39.000 0.085 0.000 1.234 271 F HN 0.235 nan 8.300 nan 0.000 0.445 272 T N -1.787 112.827 114.554 0.100 0.000 3.200 272 T HA 0.154 4.475 4.350 -0.048 0.000 0.284 272 T C 0.263 175.122 174.700 0.265 0.000 1.009 272 T CA -0.607 61.560 62.100 0.113 0.000 0.907 272 T CB -0.800 67.975 68.868 -0.156 0.000 1.120 272 T HN 0.390 nan 8.240 nan 0.000 0.534 273 N N 1.409 120.249 118.700 0.232 0.000 2.294 273 N HA 0.120 4.831 4.740 -0.048 0.000 0.248 273 N C 0.338 175.957 175.510 0.182 0.000 1.300 273 N CA -0.279 52.880 53.050 0.181 0.000 0.925 273 N CB 0.109 38.688 38.487 0.154 0.000 1.188 273 N HN -0.182 nan 8.380 nan 0.000 0.512 274 D N -1.155 119.314 120.400 0.115 0.000 2.221 274 D HA -0.102 4.509 4.640 -0.048 0.000 0.204 274 D C 1.282 177.614 176.300 0.054 0.000 0.982 274 D CA 1.403 55.444 54.000 0.069 0.000 0.857 274 D CB -0.525 40.304 40.800 0.047 0.000 0.934 274 D HN 0.650 nan 8.370 nan 0.000 0.475 275 T N 0.166 114.768 114.554 0.079 0.000 2.737 275 T HA -0.111 4.210 4.350 -0.048 0.000 0.265 275 T C 2.034 176.777 174.700 0.072 0.000 1.038 275 T CA 1.483 63.623 62.100 0.066 0.000 1.144 275 T CB -0.335 68.576 68.868 0.071 0.000 0.866 275 T HN 0.203 nan 8.240 nan 0.000 0.434 276 A N 1.459 124.360 122.820 0.134 0.000 1.877 276 A HA -0.024 4.267 4.320 -0.048 0.000 0.216 276 A C 2.266 179.873 177.584 0.039 0.000 1.186 276 A CA 1.445 53.587 52.037 0.175 0.000 0.620 276 A CB -0.895 18.315 19.000 0.349 0.000 0.822 276 A HN 0.408 nan 8.150 nan 0.000 0.443 277 L N -0.060 121.095 121.223 -0.113 0.000 2.012 277 L HA -0.114 4.197 4.340 -0.048 0.000 0.210 277 L C 2.613 179.336 176.870 -0.245 0.000 1.073 277 L CA 2.477 56.994 54.840 -0.540 0.000 0.748 277 L CB -0.846 40.976 42.059 -0.394 0.000 0.891 277 L HN 0.334 nan 8.230 nan 0.000 0.431 278 A N -0.627 122.134 122.820 -0.099 0.000 1.972 278 A HA -0.016 4.275 4.320 -0.048 0.000 0.219 278 A C 2.297 179.870 177.584 -0.018 0.000 1.169 278 A CA 1.581 53.589 52.037 -0.049 0.000 0.635 278 A CB -1.041 17.950 19.000 -0.016 0.000 0.810 278 A HN 0.602 nan 8.150 nan 0.000 0.446 279 A N -1.334 121.487 122.820 0.002 0.000 2.218 279 A HA 0.163 4.454 4.320 -0.048 0.000 0.209 279 A C 0.923 178.538 177.584 0.052 0.000 1.168 279 A CA 0.633 52.694 52.037 0.041 0.000 0.804 279 A CB -0.730 18.307 19.000 0.062 0.000 0.834 279 A HN 0.710 nan 8.150 nan 0.000 0.482 280 N N -0.587 118.123 118.700 0.016 0.000 2.738 280 N HA -0.148 4.563 4.740 -0.048 0.000 0.249 280 N C -0.740 174.837 175.510 0.112 0.000 1.047 280 N CA 0.100 53.184 53.050 0.057 0.000 0.707 280 N CB -0.825 37.723 38.487 0.102 0.000 0.937 280 N HN 0.526 nan 8.380 nan 0.000 0.545 281 I N 0.587 121.241 120.570 0.141 0.000 2.472 281 I HA 0.087 4.228 4.170 -0.048 0.000 0.290 281 I C 1.130 177.373 176.117 0.209 0.000 1.016 281 I CA 0.081 61.479 61.300 0.163 0.000 1.348 281 I CB 1.582 39.672 38.000 0.150 0.000 1.417 281 I HN 0.044 nan 8.210 nan 0.000 0.521 282 T N 4.823 119.446 114.554 0.116 0.000 2.929 282 T HA 0.337 4.658 4.350 -0.048 0.000 0.284 282 T C -0.154 174.563 174.700 0.028 0.000 1.014 282 T CA -0.658 61.477 62.100 0.059 0.000 1.051 282 T CB 0.479 69.358 68.868 0.019 0.000 1.028 282 T HN 0.533 nan 8.240 nan 0.000 0.485 283 N N 3.784 122.475 118.700 -0.015 0.000 2.918 283 N HA 0.176 4.887 4.740 -0.048 0.000 0.270 283 N C -0.765 174.793 175.510 0.079 0.000 1.536 283 N CA -0.250 52.810 53.050 0.017 0.000 0.877 283 N CB 1.149 39.578 38.487 -0.096 0.000 1.190 283 N HN 0.641 nan 8.380 nan 0.000 0.492 284 E N 0.192 120.433 120.200 0.068 0.000 2.373 284 E HA 0.222 4.543 4.350 -0.048 0.000 0.263 284 E C 0.746 177.365 176.600 0.032 0.000 1.073 284 E CA -0.450 55.962 56.400 0.021 0.000 0.894 284 E CB 1.158 30.881 29.700 0.038 0.000 1.008 284 E HN 0.356 nan 8.360 nan 0.000 0.420 285 G N 0.772 109.483 108.800 -0.149 0.000 2.378 285 G HA2 0.410 4.341 3.960 -0.048 0.000 0.255 285 G HA3 0.410 4.341 3.960 -0.048 0.000 0.255 285 G C -0.120 174.714 174.900 -0.110 0.000 1.270 285 G CA -0.096 44.844 45.100 -0.266 0.000 0.876 285 G HN 0.467 nan 8.290 nan 0.000 0.521 286 G N -0.167 108.632 108.800 -0.002 0.000 2.600 286 G HA2 0.764 4.695 3.960 -0.048 0.000 0.303 286 G HA3 0.764 4.695 3.960 -0.048 0.000 0.303 286 G C 0.124 175.064 174.900 0.068 0.000 1.253 286 G CA -0.090 45.012 45.100 0.004 0.000 0.974 286 G HN 1.121 nan 8.290 nan 0.000 0.483 287 A N -0.392 122.443 122.820 0.024 0.000 2.555 287 A HA 0.413 4.704 4.320 -0.048 0.000 0.233 287 A C 0.943 178.510 177.584 -0.028 0.000 1.060 287 A CA 1.335 53.380 52.037 0.012 0.000 0.759 287 A CB -0.353 18.631 19.000 -0.025 0.000 0.995 287 A HN 1.199 nan 8.150 nan 0.000 0.506 288 E N -0.107 120.054 120.200 -0.065 0.000 3.801 288 E HA -0.275 4.046 4.350 -0.048 0.000 0.319 288 E C 0.968 177.470 176.600 -0.164 0.000 0.784 288 E CA 1.262 57.594 56.400 -0.112 0.000 1.183 288 E CB -2.004 27.655 29.700 -0.067 0.000 1.601 288 E HN 2.409 nan 8.360 nan 0.000 0.441 289 G N 0.749 109.439 108.800 -0.184 0.000 2.148 289 G HA2 -0.390 3.541 3.960 -0.048 0.000 0.254 289 G HA3 -0.390 3.541 3.960 -0.048 0.000 0.254 289 G C 0.121 174.799 174.900 -0.370 0.000 0.981 289 G CA 0.504 45.426 45.100 -0.296 0.000 0.670 289 G HN 0.231 nan 8.290 nan 0.000 0.528 290 R N 0.227 120.613 120.500 -0.190 0.000 2.272 290 R HA 0.351 4.662 4.340 -0.048 0.000 0.334 290 R C -0.039 176.205 176.300 -0.094 0.000 1.117 290 R CA -0.473 55.575 56.100 -0.087 0.000 0.966 290 R CB 0.066 30.369 30.300 0.003 0.000 1.049 290 R HN 0.371 nan 8.270 nan 0.000 0.477 291 Y N 1.848 122.190 120.300 0.070 0.000 2.712 291 Y HA -0.079 4.440 4.550 -0.051 0.000 0.333 291 Y C 1.033 176.946 175.900 0.022 0.000 1.225 291 Y CA 0.387 58.514 58.100 0.046 0.000 1.499 291 Y CB 0.425 38.904 38.460 0.031 0.000 1.288 291 Y HN 0.239 nan 8.280 nan 0.000 0.575 292 R N 2.454 123.043 120.500 0.149 0.000 2.280 292 R HA 0.359 4.670 4.340 -0.048 0.000 0.326 292 R C -1.349 174.987 176.300 0.061 0.000 1.080 292 R CA -0.536 55.637 56.100 0.121 0.000 1.002 292 R CB 0.489 30.832 30.300 0.071 0.000 1.136 292 R HN 0.357 nan 8.270 nan 0.000 0.509 293 V N 6.240 126.062 119.914 -0.153 0.000 2.353 293 V HA 0.264 4.355 4.120 -0.048 0.000 0.264 293 V C -0.143 175.791 176.094 -0.267 0.000 1.049 293 V CA -0.431 61.676 62.300 -0.322 0.000 0.896 293 V CB 0.129 31.470 31.823 -0.803 0.000 1.025 293 V HN 0.508 nan 8.190 nan 0.000 0.475 294 L N 3.168 124.363 121.223 -0.046 0.000 2.630 294 L HA 0.821 5.132 4.340 -0.048 0.000 0.258 294 L C -0.951 175.962 176.870 0.072 0.000 1.072 294 L CA -0.988 53.870 54.840 0.031 0.000 0.885 294 L CB 2.176 44.320 42.059 0.141 0.000 1.502 294 L HN 0.236 nan 8.230 nan 0.000 0.406 295 K N 0.725 121.184 120.400 0.099 0.000 2.378 295 K HA 0.510 4.801 4.320 -0.048 0.000 0.252 295 K C -1.214 175.484 176.600 0.162 0.000 0.931 295 K CA -0.891 55.471 56.287 0.125 0.000 0.794 295 K CB 1.777 34.361 32.500 0.139 0.000 1.181 295 K HN 0.628 nan 8.250 nan 0.000 0.425 296 N N 1.807 120.602 118.700 0.158 0.000 2.497 296 N HA 0.219 4.930 4.740 -0.048 0.000 0.268 296 N C -0.823 174.921 175.510 0.390 0.000 1.171 296 N CA 0.272 53.467 53.050 0.241 0.000 0.948 296 N CB 0.393 38.930 38.487 0.085 0.000 1.069 296 N HN 0.358 nan 8.380 nan 0.000 0.460 297 I N 2.462 123.337 120.570 0.508 0.000 2.466 297 I HA 0.131 4.272 4.170 -0.048 0.000 0.289 297 I C 0.950 177.358 176.117 0.484 0.000 1.026 297 I CA -0.700 60.870 61.300 0.449 0.000 1.078 297 I CB 1.856 40.093 38.000 0.394 0.000 1.249 297 I HN 0.439 nan 8.210 nan 0.000 0.429 298 M N 4.122 123.905 119.600 0.305 0.000 2.143 298 M HA -0.072 4.379 4.480 -0.048 0.000 0.258 298 M C 1.173 177.421 176.300 -0.086 0.000 1.071 298 M CA 2.017 57.304 55.300 -0.021 0.000 1.088 298 M CB -0.444 32.195 32.600 0.065 0.000 1.360 298 M HN 0.930 nan 8.290 nan 0.000 0.404 299 G N -1.238 107.609 108.800 0.077 0.000 2.593 299 G HA2 -0.317 3.614 3.960 -0.048 0.000 0.237 299 G HA3 -0.317 3.614 3.960 -0.048 0.000 0.237 299 G C 0.302 175.250 174.900 0.080 0.000 1.312 299 G CA -0.070 45.106 45.100 0.127 0.000 0.896 299 G HN 0.428 nan 8.290 nan 0.000 0.574 300 L N 0.480 121.772 121.223 0.115 0.000 2.552 300 L HA 0.099 4.410 4.340 -0.048 0.000 0.227 300 L C 2.520 179.429 176.870 0.065 0.000 1.146 300 L CA 0.880 55.779 54.840 0.098 0.000 0.858 300 L CB -0.251 41.884 42.059 0.127 0.000 0.969 300 L HN 0.643 nan 8.230 nan 0.000 0.451 301 W N 1.171 122.382 121.300 -0.147 0.000 2.275 301 W HA -0.346 4.286 4.660 -0.045 0.000 0.321 301 W C 1.734 178.160 176.519 -0.155 0.000 1.269 301 W CA 1.595 58.828 57.345 -0.188 0.000 1.274 301 W CB -0.202 29.057 29.460 -0.334 0.000 1.141 301 W HN 0.176 nan 8.180 nan 0.000 0.493 302 L N 0.392 121.474 121.223 -0.234 0.000 2.046 302 L HA -0.248 4.063 4.340 -0.048 0.000 0.208 302 L C 2.636 179.284 176.870 -0.371 0.000 1.077 302 L CA 1.544 56.151 54.840 -0.389 0.000 0.747 302 L CB -1.550 40.323 42.059 -0.310 0.000 0.896 302 L HN 0.058 nan 8.230 nan 0.000 0.432 303 L N -1.110 119.964 121.223 -0.247 0.000 2.072 303 L HA -0.159 4.152 4.340 -0.048 0.000 0.205 303 L C 2.489 179.233 176.870 -0.210 0.000 1.079 303 L CA 1.510 56.223 54.840 -0.213 0.000 0.752 303 L CB -0.550 41.449 42.059 -0.100 0.000 0.906 303 L HN 0.300 nan 8.230 nan 0.000 0.436 304 Q N -0.804 118.875 119.800 -0.202 0.000 2.077 304 Q HA -0.237 4.074 4.340 -0.048 0.000 0.206 304 Q C 2.223 178.036 176.000 -0.311 0.000 0.989 304 Q CA 1.766 57.448 55.803 -0.201 0.000 0.853 304 Q CB -0.241 28.413 28.738 -0.140 0.000 0.907 304 Q HN 0.409 nan 8.270 nan 0.000 0.418 305 R N -0.032 120.161 120.500 -0.511 0.000 2.075 305 R HA -0.070 4.241 4.340 -0.048 0.000 0.232 305 R C 2.324 178.430 176.300 -0.323 0.000 1.126 305 R CA 0.944 56.734 56.100 -0.515 0.000 0.963 305 R CB -0.860 28.991 30.300 -0.748 0.000 0.858 305 R HN 0.184 nan 8.270 nan 0.000 0.435 306 V N 1.996 121.732 119.914 -0.296 0.000 2.332 306 V HA -0.227 3.863 4.120 -0.048 0.000 0.248 306 V C 2.552 178.539 176.094 -0.178 0.000 1.055 306 V CA 1.572 63.738 62.300 -0.225 0.000 1.038 306 V CB -0.514 31.169 31.823 -0.233 0.000 0.651 306 V HN 0.207 nan 8.190 nan 0.000 0.450 307 L N 0.187 121.310 121.223 -0.167 0.000 2.042 307 L HA -0.284 4.027 4.340 -0.048 0.000 0.210 307 L C 2.809 179.612 176.870 -0.112 0.000 1.076 307 L CA 2.280 57.047 54.840 -0.121 0.000 0.749 307 L CB -0.774 41.227 42.059 -0.096 0.000 0.893 307 L HN 0.542 nan 8.230 nan 0.000 0.432 308 Q N 0.134 119.855 119.800 -0.133 0.000 2.046 308 Q HA -0.212 4.099 4.340 -0.048 0.000 0.200 308 Q C 1.835 177.770 176.000 -0.109 0.000 0.975 308 Q CA 1.579 57.313 55.803 -0.115 0.000 0.836 308 Q CB -0.419 28.241 28.738 -0.129 0.000 0.896 308 Q HN 0.451 nan 8.270 nan 0.000 0.428 309 E N 0.230 120.354 120.200 -0.128 0.000 2.077 309 E HA -0.088 4.233 4.350 -0.048 0.000 0.193 309 E C 1.845 178.389 176.600 -0.093 0.000 0.989 309 E CA 0.745 57.078 56.400 -0.111 0.000 0.800 309 E CB 0.101 29.727 29.700 -0.124 0.000 0.746 309 E HN 0.218 nan 8.360 nan 0.000 0.452 310 R N 0.427 120.869 120.500 -0.098 0.000 2.359 310 R HA 0.094 4.405 4.340 -0.048 0.000 0.231 310 R C -0.095 176.163 176.300 -0.069 0.000 0.913 310 R CA 0.096 56.145 56.100 -0.084 0.000 1.075 310 R CB 0.087 30.331 30.300 -0.093 0.000 1.087 310 R HN 0.246 nan 8.270 nan 0.000 0.515 311 Q N 0.401 120.160 119.800 -0.068 0.000 2.463 311 Q HA -0.171 4.140 4.340 -0.048 0.000 0.299 311 Q C -0.805 175.166 176.000 -0.048 0.000 1.353 311 Q CA 0.517 56.287 55.803 -0.054 0.000 0.828 311 Q CB -1.714 26.997 28.738 -0.045 0.000 1.157 311 Q HN 0.341 nan 8.270 nan 0.000 0.436 312 I N 1.253 121.791 120.570 -0.054 0.000 2.315 312 I HA 0.105 4.246 4.170 -0.048 0.000 0.291 312 I C 1.377 177.473 176.117 -0.035 0.000 1.006 312 I CA -0.126 61.147 61.300 -0.044 0.000 1.265 312 I CB 0.684 38.653 38.000 -0.052 0.000 1.387 312 I HN 0.318 nan 8.210 nan 0.000 0.475 313 N N 3.516 122.201 118.700 -0.025 0.000 2.184 313 N HA 0.033 4.744 4.740 -0.048 0.000 0.206 313 N C -0.272 175.232 175.510 -0.010 0.000 1.151 313 N CA -0.161 52.878 53.050 -0.018 0.000 0.878 313 N CB 0.783 39.261 38.487 -0.015 0.000 1.014 313 N HN 0.481 nan 8.380 nan 0.000 0.512 314 D N 1.486 121.881 120.400 -0.008 0.000 2.432 314 D HA 0.106 4.717 4.640 -0.048 0.000 0.265 314 D C 0.668 176.972 176.300 0.006 0.000 1.160 314 D CA -0.598 53.402 54.000 -0.000 0.000 0.911 314 D CB 1.395 42.195 40.800 0.001 0.000 1.052 314 D HN 0.022 nan 8.370 nan 0.000 0.508 315 L N 5.601 126.831 121.223 0.011 0.000 2.027 315 L HA 0.156 4.467 4.340 -0.048 0.000 0.206 315 L C -1.083 175.808 176.870 0.036 0.000 1.074 315 L CA 1.739 56.595 54.840 0.026 0.000 0.745 315 L CB -1.067 41.008 42.059 0.028 0.000 0.898 315 L HN 0.211 nan 8.230 nan 0.000 0.433 316 P HA -0.185 nan 4.420 nan 0.000 0.216 316 P C 1.584 178.901 177.300 0.027 0.000 1.153 316 P CA 2.133 65.247 63.100 0.024 0.000 0.858 316 P CB -0.214 31.495 31.700 0.016 0.000 0.789 317 A N -0.786 122.047 122.820 0.022 0.000 1.902 317 A HA -0.182 4.109 4.320 -0.048 0.000 0.217 317 A C 2.124 179.726 177.584 0.030 0.000 1.181 317 A CA 1.449 53.499 52.037 0.021 0.000 0.623 317 A CB -1.645 17.363 19.000 0.012 0.000 0.818 317 A HN 0.162 nan 8.150 nan 0.000 0.443 318 L N 0.028 121.272 121.223 0.035 0.000 2.046 318 L HA -0.122 4.189 4.340 -0.048 0.000 0.208 318 L C 2.201 179.126 176.870 0.092 0.000 1.077 318 L CA 1.790 56.656 54.840 0.044 0.000 0.747 318 L CB -0.460 41.619 42.059 0.033 0.000 0.896 318 L HN 0.438 nan 8.230 nan 0.000 0.432 319 I N -0.484 120.154 120.570 0.114 0.000 2.226 319 I HA -0.285 3.856 4.170 -0.048 0.000 0.245 319 I C 2.593 178.763 176.117 0.089 0.000 1.100 319 I CA 1.178 62.563 61.300 0.142 0.000 1.374 319 I CB -0.662 37.373 38.000 0.059 0.000 1.057 319 I HN 0.358 nan 8.210 nan 0.000 0.413 320 A N 0.744 123.597 122.820 0.055 0.000 1.902 320 A HA -0.184 4.107 4.320 -0.048 0.000 0.217 320 A C 2.541 180.151 177.584 0.045 0.000 1.181 320 A CA 1.935 53.997 52.037 0.041 0.000 0.623 320 A CB -0.859 18.159 19.000 0.029 0.000 0.818 320 A HN 0.436 nan 8.150 nan 0.000 0.443 321 A N -1.046 121.801 122.820 0.045 0.000 1.902 321 A HA -0.083 4.208 4.320 -0.048 0.000 0.217 321 A C 2.277 179.893 177.584 0.053 0.000 1.181 321 A CA 2.241 54.301 52.037 0.039 0.000 0.623 321 A CB -1.282 17.734 19.000 0.027 0.000 0.818 321 A HN 0.427 nan 8.150 nan 0.000 0.443 322 T N -0.456 114.147 114.554 0.082 0.000 2.881 322 T HA -0.169 4.152 4.350 -0.048 0.000 0.270 322 T C 1.961 176.725 174.700 0.106 0.000 1.068 322 T CA 1.593 63.759 62.100 0.110 0.000 1.131 322 T CB -0.212 68.776 68.868 0.200 0.000 0.871 322 T HN 0.615 nan 8.240 nan 0.000 0.479 323 Q N 0.367 120.219 119.800 0.086 0.000 2.234 323 Q HA -0.049 4.262 4.340 -0.048 0.000 0.206 323 Q C 2.235 178.262 176.000 0.046 0.000 0.980 323 Q CA 1.339 57.178 55.803 0.060 0.000 0.869 323 Q CB -0.193 28.570 28.738 0.042 0.000 0.912 323 Q HN 0.584 nan 8.270 nan 0.000 0.436 324 A N -0.538 122.308 122.820 0.043 0.000 2.169 324 A HA 0.132 4.423 4.320 -0.048 0.000 0.212 324 A C 0.558 178.162 177.584 0.034 0.000 1.153 324 A CA -0.026 52.031 52.037 0.033 0.000 0.756 324 A CB 0.096 19.113 19.000 0.028 0.000 0.813 324 A HN 0.264 nan 8.150 nan 0.000 0.471 325 L N 1.173 122.423 121.223 0.045 0.000 2.371 325 L HA 0.282 4.593 4.340 -0.048 0.000 0.272 325 L C -2.213 174.673 176.870 0.027 0.000 1.124 325 L CA -2.104 52.764 54.840 0.046 0.000 0.816 325 L CB 1.040 43.146 42.059 0.078 0.000 1.129 325 L HN 0.060 nan 8.230 nan 0.000 0.448 326 P HA 0.088 nan 4.420 nan 0.000 0.269 326 P C -0.915 176.351 177.300 -0.056 0.000 1.209 326 P CA -0.257 62.828 63.100 -0.026 0.000 0.776 326 P CB 0.658 32.331 31.700 -0.045 0.000 0.876 327 A N 1.583 124.367 122.820 -0.059 0.000 2.293 327 A HA 0.462 4.753 4.320 -0.048 0.000 0.302 327 A C 0.602 178.084 177.584 -0.171 0.000 1.119 327 A CA -0.251 51.734 52.037 -0.087 0.000 0.823 327 A CB -0.413 18.553 19.000 -0.057 0.000 1.097 327 A HN 0.746 nan 8.150 nan 0.000 0.491 328 C N 0.049 119.203 119.300 -0.243 0.000 4.417 328 C HA -0.124 4.307 4.460 -0.048 0.000 0.284 328 C C 1.893 176.667 174.990 -0.359 0.000 1.379 328 C CA 0.939 59.717 59.018 -0.400 0.000 1.918 328 C CB -2.942 24.387 27.740 -0.684 0.000 1.280 328 C HN 1.017 nan 8.230 nan 0.000 0.783 329 R N -0.581 119.644 120.500 -0.459 0.000 2.153 329 R HA 0.140 4.451 4.340 -0.048 0.000 0.218 329 R C 0.091 175.995 176.300 -0.659 0.000 1.072 329 R CA 1.115 56.833 56.100 -0.636 0.000 0.990 329 R CB 0.046 29.765 30.300 -0.968 0.000 0.889 329 R HN 0.628 nan 8.270 nan 0.000 0.452 330 F N 0.777 120.679 119.950 -0.081 0.000 2.445 330 F HA 0.477 4.975 4.527 -0.048 0.000 0.348 330 F C -0.332 175.408 175.800 -0.100 0.000 1.125 330 F CA -0.899 57.056 58.000 -0.075 0.000 0.983 330 F CB 1.251 40.202 39.000 -0.081 0.000 1.198 330 F HN -0.260 nan 8.300 nan 0.000 0.436 331 I N 5.412 126.024 120.570 0.070 0.000 2.439 331 I HA 0.483 4.624 4.170 -0.048 0.000 0.285 331 I C -0.302 175.843 176.117 0.047 0.000 1.021 331 I CA -0.760 60.546 61.300 0.010 0.000 1.091 331 I CB 1.630 39.611 38.000 -0.033 0.000 1.242 331 I HN 0.576 nan 8.210 nan 0.000 0.439 332 I N 2.695 123.277 120.570 0.020 0.000 3.133 332 I HA 0.609 4.750 4.170 -0.048 0.000 0.311 332 I C -0.631 175.519 176.117 0.055 0.000 1.072 332 I CA -0.872 60.463 61.300 0.058 0.000 1.015 332 I CB 1.846 39.858 38.000 0.020 0.000 1.233 332 I HN 0.341 nan 8.210 nan 0.000 0.473 333 N N 3.056 121.846 118.700 0.150 0.000 2.699 333 N HA 0.300 5.011 4.740 -0.048 0.000 0.232 333 N C -2.159 173.476 175.510 0.207 0.000 1.027 333 N CA -1.501 51.641 53.050 0.153 0.000 0.920 333 N CB 1.252 39.840 38.487 0.168 0.000 1.148 333 N HN 0.453 nan 8.380 nan 0.000 0.509 334 P HA -0.075 nan 4.420 nan 0.000 0.218 334 P C 0.847 178.285 177.300 0.230 0.000 1.146 334 P CA 1.048 64.124 63.100 -0.039 0.000 0.813 334 P CB 0.466 32.112 31.700 -0.090 0.000 0.778 335 N N -1.041 117.806 118.700 0.245 0.000 2.467 335 N HA -0.035 4.676 4.740 -0.048 0.000 0.184 335 N C -0.105 175.586 175.510 0.302 0.000 1.106 335 N CA 0.553 53.775 53.050 0.287 0.000 0.892 335 N CB -0.728 37.904 38.487 0.242 0.000 0.969 335 N HN 0.113 nan 8.380 nan 0.000 0.454 336 D N 0.992 121.595 120.400 0.337 0.000 2.493 336 D HA -0.053 4.558 4.640 -0.048 0.000 0.240 336 D C 0.883 177.281 176.300 0.163 0.000 1.142 336 D CA 0.220 54.345 54.000 0.208 0.000 0.872 336 D CB 0.655 41.538 40.800 0.137 0.000 1.173 336 D HN 0.046 nan 8.370 nan 0.000 0.467 337 D N 1.513 121.974 120.400 0.102 0.000 2.228 337 D HA -0.199 4.412 4.640 -0.048 0.000 0.203 337 D C 2.001 178.320 176.300 0.030 0.000 0.988 337 D CA 0.803 54.869 54.000 0.110 0.000 0.864 337 D CB -0.034 40.816 40.800 0.083 0.000 0.928 337 D HN 0.568 nan 8.370 nan 0.000 0.469 338 R N 0.120 120.527 120.500 -0.154 0.000 2.249 338 R HA -0.132 4.179 4.340 -0.048 0.000 0.230 338 R C 1.383 177.496 176.300 -0.312 0.000 1.121 338 R CA 1.021 56.934 56.100 -0.312 0.000 0.997 338 R CB -0.815 29.161 30.300 -0.540 0.000 0.867 338 R HN 0.230 nan 8.270 nan 0.000 0.465 339 F N 0.447 120.473 119.950 0.127 0.000 2.727 339 F HA 0.290 4.788 4.527 -0.049 0.000 0.302 339 F C 1.826 177.791 175.800 0.274 0.000 1.097 339 F CA -0.457 57.642 58.000 0.165 0.000 1.330 339 F CB 0.140 39.221 39.000 0.136 0.000 1.084 339 F HN -0.133 nan 8.300 nan 0.000 0.578 340 I N 0.214 120.980 120.570 0.327 0.000 2.142 340 I HA -0.269 3.872 4.170 -0.048 0.000 0.240 340 I C 0.829 177.094 176.117 0.248 0.000 1.078 340 I CA 1.537 62.981 61.300 0.240 0.000 1.343 340 I CB -0.083 38.068 38.000 0.252 0.000 1.046 340 I HN 0.112 nan 8.210 nan 0.000 0.405 341 N N 0.027 118.880 118.700 0.255 0.000 2.679 341 N HA 0.183 4.894 4.740 -0.048 0.000 0.240 341 N C -2.567 173.049 175.510 0.175 0.000 1.537 341 N CA -1.064 52.157 53.050 0.285 0.000 0.793 341 N CB 0.502 39.066 38.487 0.128 0.000 1.391 341 N HN -0.041 nan 8.380 nan 0.000 0.524 342 P HA 0.249 nan 4.420 nan 0.000 0.272 342 P C 0.065 177.387 177.300 0.036 0.000 1.223 342 P CA -0.069 63.071 63.100 0.067 0.000 0.784 342 P CB 1.433 33.167 31.700 0.056 0.000 0.923 343 D N 0.365 120.768 120.400 0.004 0.000 2.144 343 D HA -0.087 4.524 4.640 -0.048 0.000 0.200 343 D C 0.127 176.406 176.300 -0.034 0.000 0.978 343 D CA 1.543 55.533 54.000 -0.016 0.000 0.833 343 D CB 0.177 40.963 40.800 -0.023 0.000 0.961 343 D HN 0.550 nan 8.370 nan 0.000 0.470 344 E N -0.271 119.910 120.200 -0.032 0.000 2.331 344 E HA 0.146 4.467 4.350 -0.048 0.000 0.243 344 E C 0.409 176.986 176.600 -0.039 0.000 0.925 344 E CA -0.261 56.111 56.400 -0.047 0.000 0.760 344 E CB 1.659 31.334 29.700 -0.043 0.000 1.254 344 E HN -0.133 nan 8.360 nan 0.000 0.419 345 M N 2.078 121.635 119.600 -0.071 0.000 2.086 345 M HA -0.130 4.321 4.480 -0.048 0.000 0.261 345 M C 1.513 177.782 176.300 -0.051 0.000 1.067 345 M CA 1.887 57.150 55.300 -0.063 0.000 1.116 345 M CB -0.163 32.325 32.600 -0.186 0.000 1.348 345 M HN 0.618 nan 8.290 nan 0.000 0.407 346 C N -0.586 118.659 119.300 -0.093 0.000 2.413 346 C HA -0.115 4.316 4.460 -0.048 0.000 0.276 346 C C 2.792 177.745 174.990 -0.062 0.000 1.236 346 C CA 1.470 60.428 59.018 -0.099 0.000 1.735 346 C CB -1.470 26.202 27.740 -0.114 0.000 2.031 346 C HN 0.629 nan 8.230 nan 0.000 0.474 347 S N 0.244 115.917 115.700 -0.046 0.000 2.382 347 S HA -0.184 4.257 4.470 -0.048 0.000 0.228 347 S C 1.797 176.396 174.600 -0.001 0.000 1.027 347 S CA 1.620 59.802 58.200 -0.030 0.000 0.991 347 S CB -0.336 62.844 63.200 -0.032 0.000 0.823 347 S HN 0.670 nan 8.310 nan 0.000 0.469 348 E N 1.418 121.636 120.200 0.030 0.000 2.072 348 E HA -0.026 4.295 4.350 -0.048 0.000 0.191 348 E C 1.797 178.515 176.600 0.198 0.000 0.985 348 E CA 0.967 57.411 56.400 0.073 0.000 0.801 348 E CB -0.335 29.417 29.700 0.087 0.000 0.750 348 E HN 0.512 nan 8.360 nan 0.000 0.452 349 I N 0.446 121.150 120.570 0.223 0.000 2.179 349 I HA -0.332 3.809 4.170 -0.048 0.000 0.242 349 I C 2.453 178.606 176.117 0.060 0.000 1.088 349 I CA 1.403 62.799 61.300 0.161 0.000 1.357 349 I CB -0.305 37.662 38.000 -0.055 0.000 1.051 349 I HN 0.194 nan 8.210 nan 0.000 0.409 350 Q N 0.496 120.294 119.800 -0.004 0.000 2.084 350 Q HA -0.191 4.120 4.340 -0.048 0.000 0.202 350 Q C 2.465 178.469 176.000 0.007 0.000 0.978 350 Q CA 1.753 57.538 55.803 -0.030 0.000 0.844 350 Q CB -0.314 28.390 28.738 -0.056 0.000 0.898 350 Q HN 0.596 nan 8.270 nan 0.000 0.426 351 A N 1.165 123.996 122.820 0.019 0.000 1.877 351 A HA -0.135 4.156 4.320 -0.048 0.000 0.216 351 A C 2.329 179.935 177.584 0.036 0.000 1.186 351 A CA 1.585 53.632 52.037 0.016 0.000 0.620 351 A CB -0.911 18.088 19.000 -0.002 0.000 0.822 351 A HN 0.401 nan 8.150 nan 0.000 0.443 352 A N -0.874 121.991 122.820 0.075 0.000 1.908 352 A HA -0.218 4.073 4.320 -0.048 0.000 0.218 352 A C 2.335 179.978 177.584 0.097 0.000 1.181 352 A CA 1.834 53.938 52.037 0.111 0.000 0.627 352 A CB -1.357 17.806 19.000 0.271 0.000 0.818 352 A HN 0.612 nan 8.150 nan 0.000 0.445 353 C N -1.360 117.993 119.300 0.089 0.000 2.432 353 C HA -0.054 4.377 4.460 -0.048 0.000 0.277 353 C C 2.824 177.858 174.990 0.073 0.000 1.249 353 C CA 1.109 60.179 59.018 0.087 0.000 1.725 353 C CB -1.191 26.601 27.740 0.085 0.000 2.028 353 C HN 0.626 nan 8.230 nan 0.000 0.477 354 R N 1.081 121.611 120.500 0.051 0.000 2.096 354 R HA -0.127 4.184 4.340 -0.048 0.000 0.235 354 R C 1.946 178.267 176.300 0.036 0.000 1.127 354 R CA 1.531 57.654 56.100 0.039 0.000 0.968 354 R CB -0.406 29.908 30.300 0.023 0.000 0.861 354 R HN 0.634 nan 8.270 nan 0.000 0.440 355 E N -0.265 119.956 120.200 0.035 0.000 2.204 355 E HA -0.165 4.156 4.350 -0.048 0.000 0.195 355 E C 1.479 178.101 176.600 0.036 0.000 0.990 355 E CA 1.297 57.715 56.400 0.029 0.000 0.821 355 E CB -0.016 29.699 29.700 0.025 0.000 0.750 355 E HN 0.347 nan 8.360 nan 0.000 0.477 356 M N -0.737 118.892 119.600 0.048 0.000 2.453 356 M HA 0.260 4.711 4.480 -0.048 0.000 0.239 356 M C 0.667 176.996 176.300 0.049 0.000 1.151 356 M CA 0.156 55.487 55.300 0.052 0.000 0.989 356 M CB 0.797 33.436 32.600 0.066 0.000 1.548 356 M HN 0.084 nan 8.290 nan 0.000 0.479 357 A N -0.036 122.810 122.820 0.044 0.000 2.847 357 A HA -0.217 4.074 4.320 -0.048 0.000 0.263 357 A C 0.154 177.767 177.584 0.048 0.000 1.391 357 A CA 0.976 53.037 52.037 0.040 0.000 0.866 357 A CB -2.106 16.913 19.000 0.032 0.000 1.057 357 A HN 0.613 nan 8.150 nan 0.000 0.673 358 Q N 0.092 119.931 119.800 0.066 0.000 2.221 358 Q HA 0.522 4.833 4.340 -0.048 0.000 0.242 358 Q C -2.113 173.954 176.000 0.112 0.000 0.940 358 Q CA -1.968 53.886 55.803 0.083 0.000 0.896 358 Q CB 0.814 29.620 28.738 0.113 0.000 1.226 358 Q HN 0.459 nan 8.270 nan 0.000 0.463 359 P HA -0.020 nan 4.420 nan 0.000 0.269 359 P C -0.728 176.750 177.300 0.296 0.000 1.217 359 P CA 0.247 63.466 63.100 0.199 0.000 0.783 359 P CB 0.522 32.344 31.700 0.204 0.000 0.898 360 I N 2.994 123.666 120.570 0.170 0.000 2.315 360 I HA 0.213 4.354 4.170 -0.048 0.000 0.291 360 I C -2.006 173.985 176.117 -0.211 0.000 1.006 360 I CA -2.986 58.319 61.300 0.009 0.000 1.265 360 I CB 0.573 38.563 38.000 -0.017 0.000 1.387 360 I HN 0.152 nan 8.210 nan 0.000 0.475 361 P HA 0.305 nan 4.420 nan 0.000 0.282 361 P C -0.204 176.822 177.300 -0.456 0.000 1.274 361 P CA -0.026 62.470 63.100 -1.008 0.000 0.770 361 P CB 1.596 32.513 31.700 -1.304 0.000 0.867 362 E N 0.847 120.857 120.200 -0.317 0.000 2.441 362 E HA 0.030 4.351 4.350 -0.048 0.000 0.207 362 E C 0.690 177.200 176.600 -0.151 0.000 0.803 362 E CA 0.057 56.346 56.400 -0.185 0.000 1.240 362 E CB 0.246 29.877 29.700 -0.116 0.000 1.233 362 E HN 0.523 nan 8.360 nan 0.000 0.590 363 S N 1.180 116.799 115.700 -0.135 0.000 2.600 363 S HA 0.012 4.453 4.470 -0.048 0.000 0.265 363 S C 0.661 175.184 174.600 -0.127 0.000 1.325 363 S CA -0.437 57.702 58.200 -0.101 0.000 1.002 363 S CB 0.897 64.058 63.200 -0.064 0.000 0.921 363 S HN -0.080 nan 8.310 nan 0.000 0.554 364 D N 1.720 122.058 120.400 -0.103 0.000 2.116 364 D HA -0.110 4.501 4.640 -0.048 0.000 0.193 364 D C 2.200 178.424 176.300 -0.126 0.000 0.998 364 D CA 2.068 56.000 54.000 -0.113 0.000 0.836 364 D CB -0.960 39.791 40.800 -0.082 0.000 0.951 364 D HN 0.734 nan 8.370 nan 0.000 0.449 365 A N 0.703 123.472 122.820 -0.085 0.000 1.969 365 A HA -0.173 4.118 4.320 -0.048 0.000 0.218 365 A C 2.069 179.601 177.584 -0.088 0.000 1.169 365 A CA 1.341 53.339 52.037 -0.064 0.000 0.635 365 A CB -0.435 18.558 19.000 -0.011 0.000 0.810 365 A HN 0.205 nan 8.150 nan 0.000 0.445 366 E N -0.232 119.901 120.200 -0.112 0.000 2.072 366 E HA -0.120 4.201 4.350 -0.048 0.000 0.191 366 E C 1.892 178.293 176.600 -0.332 0.000 0.985 366 E CA 1.025 57.319 56.400 -0.177 0.000 0.801 366 E CB -0.251 29.264 29.700 -0.308 0.000 0.750 366 E HN 0.617 nan 8.360 nan 0.000 0.452 367 L N 0.589 121.617 121.223 -0.324 0.000 2.046 367 L HA -0.193 4.118 4.340 -0.048 0.000 0.208 367 L C 2.557 179.201 176.870 -0.377 0.000 1.077 367 L CA 1.136 55.771 54.840 -0.342 0.000 0.747 367 L CB -0.416 41.474 42.059 -0.282 0.000 0.896 367 L HN 0.141 nan 8.230 nan 0.000 0.432 368 A N -0.040 122.541 122.820 -0.398 0.000 1.902 368 A HA -0.260 4.031 4.320 -0.048 0.000 0.217 368 A C 2.336 179.447 177.584 -0.789 0.000 1.181 368 A CA 1.875 53.495 52.037 -0.696 0.000 0.623 368 A CB -0.505 18.173 19.000 -0.536 0.000 0.818 368 A HN 0.285 nan 8.150 nan 0.000 0.443 369 R N -0.108 120.202 120.500 -0.316 0.000 2.083 369 R HA -0.177 4.134 4.340 -0.048 0.000 0.237 369 R C 2.291 178.563 176.300 -0.046 0.000 1.137 369 R CA 2.030 58.089 56.100 -0.068 0.000 0.951 369 R CB -1.547 28.821 30.300 0.113 0.000 0.851 369 R HN 0.611 nan 8.270 nan 0.000 0.434 370 C N -0.255 119.016 119.300 -0.048 0.000 2.413 370 C HA -0.076 4.355 4.460 -0.048 0.000 0.276 370 C C 2.506 177.406 174.990 -0.151 0.000 1.236 370 C CA 1.042 60.046 59.018 -0.023 0.000 1.735 370 C CB -1.116 26.552 27.740 -0.120 0.000 2.031 370 C HN 0.637 nan 8.230 nan 0.000 0.474 371 I N 0.151 120.541 120.570 -0.299 0.000 2.142 371 I HA -0.151 3.990 4.170 -0.048 0.000 0.240 371 I C 2.428 178.459 176.117 -0.143 0.000 1.078 371 I CA 1.829 62.942 61.300 -0.311 0.000 1.343 371 I CB -0.583 37.154 38.000 -0.439 0.000 1.046 371 I HN 0.239 nan 8.210 nan 0.000 0.405 372 F N 0.936 120.821 119.950 -0.108 0.000 2.113 372 F HA -0.200 4.298 4.527 -0.049 0.000 0.297 372 F C 2.389 178.111 175.800 -0.129 0.000 1.103 372 F CA 1.027 58.965 58.000 -0.104 0.000 1.248 372 F CB -1.230 37.732 39.000 -0.063 0.000 0.999 372 F HN 0.118 nan 8.300 nan 0.000 0.475 373 D N -0.308 120.134 120.400 0.069 0.000 2.117 373 D HA -0.114 4.497 4.640 -0.048 0.000 0.198 373 D C 2.384 178.625 176.300 -0.099 0.000 0.982 373 D CA 1.445 55.423 54.000 -0.037 0.000 0.828 373 D CB -0.438 40.315 40.800 -0.079 0.000 0.967 373 D HN 0.144 nan 8.370 nan 0.000 0.464 374 S N 0.415 116.052 115.700 -0.105 0.000 2.368 374 S HA -0.044 4.397 4.470 -0.048 0.000 0.224 374 S C 2.221 176.714 174.600 -0.179 0.000 1.029 374 S CA 0.409 58.536 58.200 -0.123 0.000 0.988 374 S CB -0.147 62.978 63.200 -0.126 0.000 0.838 374 S HN 0.225 nan 8.310 nan 0.000 0.462 375 L N 1.130 122.205 121.223 -0.246 0.000 2.017 375 L HA -0.146 4.165 4.340 -0.048 0.000 0.208 375 L C 2.811 179.177 176.870 -0.840 0.000 1.073 375 L CA 1.312 55.834 54.840 -0.531 0.000 0.745 375 L CB -0.682 41.084 42.059 -0.487 0.000 0.894 375 L HN 0.330 nan 8.230 nan 0.000 0.432 376 A N -0.072 122.473 122.820 -0.459 0.000 1.933 376 A HA -0.150 4.141 4.320 -0.048 0.000 0.218 376 A C 2.236 179.780 177.584 -0.066 0.000 1.175 376 A CA 1.352 53.266 52.037 -0.206 0.000 0.628 376 A CB -0.644 18.343 19.000 -0.021 0.000 0.814 376 A HN 0.363 nan 8.150 nan 0.000 0.444 377 L N -1.204 119.976 121.223 -0.072 0.000 2.056 377 L HA -0.146 4.165 4.340 -0.048 0.000 0.207 377 L C 2.509 179.403 176.870 0.039 0.000 1.078 377 L CA 0.925 55.778 54.840 0.022 0.000 0.749 377 L CB -0.506 41.570 42.059 0.028 0.000 0.901 377 L HN 0.415 nan 8.230 nan 0.000 0.433 378 L N -1.126 120.079 121.223 -0.030 0.000 2.083 378 L HA -0.221 4.090 4.340 -0.048 0.000 0.209 378 L C 2.500 179.461 176.870 0.152 0.000 1.083 378 L CA 1.781 56.642 54.840 0.035 0.000 0.752 378 L CB -0.729 41.329 42.059 -0.002 0.000 0.899 378 L HN 0.108 nan 8.230 nan 0.000 0.433 379 Y N 0.064 120.407 120.300 0.071 0.000 2.114 379 Y HA -0.244 4.276 4.550 -0.049 0.000 0.282 379 Y C 2.666 178.605 175.900 0.065 0.000 1.165 379 Y CA 0.983 59.117 58.100 0.057 0.000 1.148 379 Y CB -1.655 36.826 38.460 0.034 0.000 0.972 379 Y HN 0.301 nan 8.280 nan 0.000 0.504 380 A N 0.014 122.980 122.820 0.242 0.000 1.933 380 A HA -0.176 4.115 4.320 -0.048 0.000 0.218 380 A C 2.032 179.729 177.584 0.189 0.000 1.175 380 A CA 1.898 54.049 52.037 0.190 0.000 0.628 380 A CB -0.686 18.415 19.000 0.168 0.000 0.814 380 A HN 0.366 nan 8.150 nan 0.000 0.444 381 D N -0.241 120.258 120.400 0.164 0.000 2.097 381 D HA -0.104 4.507 4.640 -0.048 0.000 0.195 381 D C 2.109 178.522 176.300 0.188 0.000 0.989 381 D CA 1.575 55.664 54.000 0.149 0.000 0.827 381 D CB -0.459 40.409 40.800 0.114 0.000 0.966 381 D HN 0.213 nan 8.370 nan 0.000 0.456 382 V N 1.028 121.050 119.914 0.180 0.000 2.358 382 V HA -0.186 3.905 4.120 -0.048 0.000 0.246 382 V C 2.478 178.664 176.094 0.153 0.000 1.047 382 V CA 0.890 63.289 62.300 0.165 0.000 1.035 382 V CB -0.378 31.545 31.823 0.166 0.000 0.658 382 V HN 0.112 nan 8.190 nan 0.000 0.452 383 L N -0.119 121.190 121.223 0.144 0.000 2.083 383 L HA -0.192 4.119 4.340 -0.048 0.000 0.209 383 L C 2.431 179.429 176.870 0.213 0.000 1.083 383 L CA 2.334 57.242 54.840 0.114 0.000 0.752 383 L CB -0.816 41.282 42.059 0.065 0.000 0.899 383 L HN 0.526 nan 8.230 nan 0.000 0.433 384 H N -0.480 118.669 119.070 0.131 0.000 2.321 384 H HA -0.150 4.377 4.556 -0.048 0.000 0.300 384 H C 2.093 177.476 175.328 0.092 0.000 1.087 384 H CA 2.218 58.335 56.048 0.116 0.000 1.319 384 H CB 0.104 29.930 29.762 0.107 0.000 1.379 384 H HN 0.484 nan 8.280 nan 0.000 0.501 385 E N 0.013 120.303 120.200 0.151 0.000 2.077 385 E HA -0.163 4.158 4.350 -0.048 0.000 0.193 385 E C 2.323 178.941 176.600 0.030 0.000 0.989 385 E CA 1.294 57.741 56.400 0.079 0.000 0.800 385 E CB -0.031 29.743 29.700 0.122 0.000 0.746 385 E HN 0.490 nan 8.360 nan 0.000 0.452 386 L N 0.492 121.777 121.223 0.103 0.000 2.056 386 L HA -0.138 4.173 4.340 -0.048 0.000 0.207 386 L C 2.607 179.458 176.870 -0.031 0.000 1.078 386 L CA 0.978 55.913 54.840 0.159 0.000 0.749 386 L CB -0.459 41.803 42.059 0.338 0.000 0.901 386 L HN 0.128 nan 8.230 nan 0.000 0.433 387 A N -0.270 122.549 122.820 -0.001 0.000 1.902 387 A HA -0.300 3.991 4.320 -0.048 0.000 0.217 387 A C 2.231 179.632 177.584 -0.304 0.000 1.181 387 A CA 2.022 53.894 52.037 -0.276 0.000 0.623 387 A CB -0.596 18.287 19.000 -0.194 0.000 0.818 387 A HN 0.431 nan 8.150 nan 0.000 0.443 388 Q N -0.714 118.921 119.800 -0.275 0.000 2.084 388 Q HA -0.150 4.161 4.340 -0.048 0.000 0.202 388 Q C 1.893 177.792 176.000 -0.169 0.000 0.978 388 Q CA 1.789 57.450 55.803 -0.237 0.000 0.844 388 Q CB -0.411 28.172 28.738 -0.257 0.000 0.898 388 Q HN 0.560 nan 8.270 nan 0.000 0.426 389 L N 0.969 122.090 121.223 -0.170 0.000 2.017 389 L HA -0.175 4.136 4.340 -0.048 0.000 0.208 389 L C 2.339 179.034 176.870 -0.293 0.000 1.073 389 L CA 2.312 57.040 54.840 -0.186 0.000 0.745 389 L CB -0.511 41.432 42.059 -0.193 0.000 0.894 389 L HN 0.352 nan 8.230 nan 0.000 0.432 390 R N -0.584 119.654 120.500 -0.436 0.000 2.276 390 R HA 0.169 4.480 4.340 -0.048 0.000 0.196 390 R C 1.208 177.413 176.300 -0.158 0.000 0.961 390 R CA 0.783 56.661 56.100 -0.371 0.000 1.024 390 R CB -0.477 29.446 30.300 -0.628 0.000 0.940 390 R HN 0.420 nan 8.270 nan 0.000 0.480 391 G N 1.089 109.771 108.800 -0.197 0.000 2.198 391 G HA2 -0.316 3.615 3.960 -0.048 0.000 0.257 391 G HA3 -0.316 3.615 3.960 -0.048 0.000 0.257 391 G C -0.430 174.354 174.900 -0.195 0.000 1.042 391 G CA 0.568 45.581 45.100 -0.144 0.000 0.791 391 G HN 0.569 nan 8.290 nan 0.000 0.502 392 E N -0.062 119.941 120.200 -0.328 0.000 2.307 392 E HA 0.347 4.668 4.350 -0.048 0.000 0.280 392 E C -0.945 175.291 176.600 -0.606 0.000 0.900 392 E CA -0.882 55.288 56.400 -0.382 0.000 0.790 392 E CB 1.138 30.627 29.700 -0.351 0.000 1.261 392 E HN 0.058 nan 8.360 nan 0.000 0.405 393 D N 1.819 121.956 120.400 -0.439 0.000 2.364 393 D HA 0.141 4.752 4.640 -0.048 0.000 0.236 393 D C -0.715 175.213 176.300 -0.620 0.000 1.221 393 D CA 0.741 54.485 54.000 -0.427 0.000 0.891 393 D CB 0.344 41.038 40.800 -0.177 0.000 1.190 393 D HN 0.182 nan 8.370 nan 0.000 0.449 394 F N -0.553 119.355 119.950 -0.069 0.000 2.480 394 F HA 0.235 4.733 4.527 -0.049 0.000 0.329 394 F C 1.481 177.272 175.800 -0.015 0.000 1.091 394 F CA -0.596 57.379 58.000 -0.042 0.000 0.972 394 F CB 1.721 40.697 39.000 -0.041 0.000 1.150 394 F HN 0.250 nan 8.300 nan 0.000 0.467 395 S N 0.175 115.983 115.700 0.180 0.000 2.497 395 S HA 0.270 4.711 4.470 -0.048 0.000 0.218 395 S C 0.098 174.752 174.600 0.090 0.000 1.023 395 S CA -0.084 58.179 58.200 0.105 0.000 0.913 395 S CB 0.027 63.270 63.200 0.072 0.000 0.800 395 S HN 0.706 nan 8.310 nan 0.000 0.505 396 Q N 0.303 120.169 119.800 0.110 0.000 2.379 396 Q HA 0.623 4.934 4.340 -0.048 0.000 0.278 396 Q C -2.162 173.828 176.000 -0.017 0.000 1.068 396 Q CA -0.804 55.005 55.803 0.011 0.000 0.816 396 Q CB 2.475 31.192 28.738 -0.035 0.000 1.387 396 Q HN 0.283 nan 8.270 nan 0.000 0.413 397 L N 2.045 123.196 121.223 -0.120 0.000 2.305 397 L HA 0.381 4.692 4.340 -0.048 0.000 0.284 397 L C -1.251 175.493 176.870 -0.209 0.000 1.013 397 L CA -0.201 54.557 54.840 -0.137 0.000 0.819 397 L CB 0.979 42.953 42.059 -0.142 0.000 1.227 397 L HN 0.598 nan 8.230 nan 0.000 0.417 398 H N 6.839 125.904 119.070 -0.008 0.000 2.640 398 H HA 0.382 4.909 4.556 -0.048 0.000 0.297 398 H C -0.543 174.788 175.328 0.005 0.000 1.073 398 H CA -0.258 55.804 56.048 0.023 0.000 1.305 398 H CB 1.087 30.887 29.762 0.063 0.000 1.404 398 H HN 0.534 nan 8.280 nan 0.000 0.459 399 I N 4.844 125.436 120.570 0.037 0.000 2.315 399 I HA 0.167 4.308 4.170 -0.048 0.000 0.291 399 I C 0.626 176.765 176.117 0.036 0.000 1.006 399 I CA -0.704 60.591 61.300 -0.009 0.000 1.265 399 I CB 1.191 39.129 38.000 -0.103 0.000 1.387 399 I HN 0.248 nan 8.210 nan 0.000 0.475 400 V N 2.746 122.685 119.914 0.042 0.000 3.155 400 V HA 1.089 5.180 4.120 -0.048 0.000 0.313 400 V C 0.132 176.244 176.094 0.030 0.000 1.162 400 V CA -0.240 62.085 62.300 0.042 0.000 1.048 400 V CB 1.292 33.142 31.823 0.045 0.000 1.092 400 V HN 1.076 nan 8.190 nan 0.000 0.447 401 G N 0.234 109.051 108.800 0.028 0.000 2.712 401 G HA2 0.260 4.191 3.960 -0.048 0.000 0.683 401 G HA3 0.260 4.191 3.960 -0.048 0.000 0.683 401 G C 0.608 175.524 174.900 0.027 0.000 1.320 401 G CA -0.167 44.952 45.100 0.031 0.000 0.847 401 G HN 2.047 nan 8.290 nan 0.000 0.553 402 G N -0.299 108.520 108.800 0.031 0.000 2.475 402 G HA2 0.173 4.104 3.960 -0.048 0.000 0.220 402 G HA3 0.173 4.104 3.960 -0.048 0.000 0.220 402 G C 1.944 176.855 174.900 0.019 0.000 1.125 402 G CA 2.079 47.193 45.100 0.024 0.000 0.755 402 G HN 1.978 nan 8.290 nan 0.000 0.565 403 G N 0.374 109.191 108.800 0.027 0.000 2.470 403 G HA2 -0.246 3.685 3.960 -0.048 0.000 0.220 403 G HA3 -0.246 3.685 3.960 -0.048 0.000 0.220 403 G C 1.948 176.829 174.900 -0.032 0.000 1.121 403 G CA 1.463 46.571 45.100 0.012 0.000 0.766 403 G HN 0.820 nan 8.290 nan 0.000 0.553 404 C N -0.299 118.987 119.300 -0.023 0.000 2.491 404 C HA 0.189 4.620 4.460 -0.048 0.000 0.277 404 C C 2.275 177.245 174.990 -0.034 0.000 1.455 404 C CA 0.264 59.256 59.018 -0.044 0.000 1.758 404 C CB -0.930 26.804 27.740 -0.010 0.000 1.745 404 C HN 0.505 nan 8.230 nan 0.000 0.558 405 Q N 0.932 120.719 119.800 -0.022 0.000 2.432 405 Q HA 0.057 4.368 4.340 -0.048 0.000 0.205 405 Q C 0.552 176.529 176.000 -0.039 0.000 0.945 405 Q CA 0.182 55.980 55.803 -0.009 0.000 0.924 405 Q CB -0.198 28.541 28.738 0.001 0.000 1.016 405 Q HN 0.634 nan 8.270 nan 0.000 0.503 406 N N 1.259 119.901 118.700 -0.097 0.000 2.482 406 N HA -0.022 4.689 4.740 -0.048 0.000 0.242 406 N C 0.678 176.058 175.510 -0.217 0.000 1.100 406 N CA 0.235 53.181 53.050 -0.173 0.000 0.946 406 N CB 1.012 39.340 38.487 -0.264 0.000 1.227 406 N HN 0.157 nan 8.380 nan 0.000 0.508 407 T N 1.060 115.542 114.554 -0.120 0.000 2.915 407 T HA -0.149 4.172 4.350 -0.048 0.000 0.269 407 T C 1.833 176.448 174.700 -0.142 0.000 1.071 407 T CA 0.474 62.536 62.100 -0.063 0.000 1.132 407 T CB -0.061 68.904 68.868 0.161 0.000 0.878 407 T HN 0.306 nan 8.240 nan 0.000 0.479 408 L N 0.534 121.654 121.223 -0.172 0.000 1.994 408 L HA 0.198 4.509 4.340 -0.048 0.000 0.208 408 L C 2.289 178.999 176.870 -0.267 0.000 1.071 408 L CA 1.526 56.256 54.840 -0.184 0.000 0.745 408 L CB -1.126 40.813 42.059 -0.200 0.000 0.892 408 L HN 0.301 nan 8.230 nan 0.000 0.431 409 L N -0.028 120.947 121.223 -0.414 0.000 2.141 409 L HA -0.138 4.173 4.340 -0.048 0.000 0.209 409 L C 2.205 178.924 176.870 -0.253 0.000 1.094 409 L CA 1.457 56.098 54.840 -0.331 0.000 0.763 409 L CB -1.094 40.728 42.059 -0.395 0.000 0.908 409 L HN 0.359 nan 8.230 nan 0.000 0.437 410 N N -0.372 118.074 118.700 -0.424 0.000 2.069 410 N HA -0.247 4.464 4.740 -0.048 0.000 0.191 410 N C 1.852 177.029 175.510 -0.555 0.000 1.031 410 N CA 1.477 54.124 53.050 -0.671 0.000 0.852 410 N CB -0.295 37.330 38.487 -1.436 0.000 1.018 410 N HN 0.427 nan 8.380 nan 0.000 0.423 411 Q N 0.602 120.159 119.800 -0.406 0.000 2.172 411 Q HA 0.134 4.444 4.340 -0.048 0.000 0.200 411 Q C 2.038 178.014 176.000 -0.039 0.000 0.964 411 Q CA 0.795 56.554 55.803 -0.073 0.000 0.855 411 Q CB -0.209 28.583 28.738 0.090 0.000 0.918 411 Q HN 0.361 nan 8.270 nan 0.000 0.444 412 L N -0.739 120.448 121.223 -0.061 0.000 2.046 412 L HA -0.205 4.106 4.340 -0.048 0.000 0.208 412 L C 2.570 179.456 176.870 0.027 0.000 1.077 412 L CA 1.097 55.929 54.840 -0.013 0.000 0.747 412 L CB -0.585 41.467 42.059 -0.013 0.000 0.896 412 L HN 0.441 nan 8.230 nan 0.000 0.432 413 C N -0.064 119.258 119.300 0.036 0.000 2.432 413 C HA -0.164 4.267 4.460 -0.048 0.000 0.277 413 C C 3.136 178.153 174.990 0.045 0.000 1.249 413 C CA 0.881 59.962 59.018 0.105 0.000 1.725 413 C CB -0.732 27.047 27.740 0.066 0.000 2.028 413 C HN 0.584 nan 8.230 nan 0.000 0.477 414 A N 0.307 123.127 122.820 0.000 0.000 1.908 414 A HA -0.199 4.092 4.320 -0.048 0.000 0.218 414 A C 1.839 179.447 177.584 0.040 0.000 1.181 414 A CA 2.436 54.489 52.037 0.026 0.000 0.627 414 A CB -0.752 18.284 19.000 0.060 0.000 0.818 414 A HN 0.662 nan 8.150 nan 0.000 0.445 415 D N -0.180 120.241 120.400 0.036 0.000 2.103 415 D HA 0.027 4.638 4.640 -0.048 0.000 0.199 415 D C 2.268 178.593 176.300 0.041 0.000 0.978 415 D CA 1.545 55.562 54.000 0.028 0.000 0.829 415 D CB -0.508 40.299 40.800 0.012 0.000 0.981 415 D HN 0.408 nan 8.370 nan 0.000 0.464 416 A N 0.104 122.960 122.820 0.060 0.000 1.898 416 A HA -0.154 4.136 4.320 -0.048 0.000 0.216 416 A C 2.370 180.013 177.584 0.098 0.000 1.181 416 A CA 1.180 53.270 52.037 0.088 0.000 0.620 416 A CB -0.787 18.274 19.000 0.100 0.000 0.819 416 A HN 0.356 nan 8.150 nan 0.000 0.442 417 C N -1.473 117.883 119.300 0.094 0.000 2.495 417 C HA 0.386 4.816 4.460 -0.048 0.000 0.275 417 C C 1.935 176.973 174.990 0.079 0.000 1.392 417 C CA 0.231 59.308 59.018 0.099 0.000 1.766 417 C CB -1.156 26.634 27.740 0.082 0.000 1.933 417 C HN 1.088 nan 8.230 nan 0.000 0.519 418 G N 1.150 109.984 108.800 0.057 0.000 2.273 418 G HA2 -0.267 3.664 3.960 -0.048 0.000 0.280 418 G HA3 -0.267 3.664 3.960 -0.048 0.000 0.280 418 G C -0.268 174.660 174.900 0.047 0.000 1.047 418 G CA 0.559 45.684 45.100 0.042 0.000 0.869 418 G HN 0.618 nan 8.290 nan 0.000 0.502 419 I N -1.321 119.276 120.570 0.046 0.000 2.769 419 I HA 0.589 4.730 4.170 -0.048 0.000 0.298 419 I C 0.519 176.655 176.117 0.031 0.000 1.128 419 I CA -1.821 59.505 61.300 0.044 0.000 1.031 419 I CB 1.473 39.503 38.000 0.050 0.000 1.235 419 I HN 0.226 nan 8.210 nan 0.000 0.423 420 R N 5.342 125.857 120.500 0.026 0.000 2.484 420 R HA 0.320 4.631 4.340 -0.048 0.000 0.293 420 R C -1.761 174.532 176.300 -0.011 0.000 1.023 420 R CA 0.049 56.159 56.100 0.018 0.000 1.037 420 R CB 0.580 30.885 30.300 0.007 0.000 0.951 420 R HN 0.424 nan 8.270 nan 0.000 0.418 421 V N 6.918 126.847 119.914 0.025 0.000 2.435 421 V HA 0.374 4.465 4.120 -0.048 0.000 0.290 421 V C -0.080 176.039 176.094 0.041 0.000 1.030 421 V CA -0.745 61.553 62.300 -0.003 0.000 0.881 421 V CB 1.670 33.492 31.823 -0.002 0.000 0.983 421 V HN 0.663 nan 8.190 nan 0.000 0.445 422 I N 4.415 124.928 120.570 -0.094 0.000 2.382 422 I HA 0.563 4.704 4.170 -0.048 0.000 0.286 422 I C 0.342 176.481 176.117 0.036 0.000 1.002 422 I CA -0.438 60.836 61.300 -0.042 0.000 1.135 422 I CB 1.468 39.346 38.000 -0.203 0.000 1.288 422 I HN 0.640 nan 8.210 nan 0.000 0.448 423 A N 4.761 127.671 122.820 0.150 0.000 2.274 423 A HA 0.869 5.160 4.320 -0.048 0.000 0.309 423 A C 0.479 178.131 177.584 0.114 0.000 1.226 423 A CA 0.117 52.227 52.037 0.123 0.000 0.853 423 A CB 0.792 19.896 19.000 0.173 0.000 1.146 423 A HN 1.192 nan 8.150 nan 0.000 0.518 424 G N 2.517 111.371 108.800 0.090 0.000 2.428 424 G HA2 0.229 4.160 3.960 -0.048 0.000 0.681 424 G HA3 0.229 4.160 3.960 -0.048 0.000 0.681 424 G C -3.386 171.558 174.900 0.072 0.000 1.340 424 G CA -0.495 44.648 45.100 0.072 0.000 0.915 424 G HN 0.708 nan 8.290 nan 0.000 0.645 425 P HA 0.389 nan 4.420 nan 0.000 0.274 425 P C 1.260 178.578 177.300 0.030 0.000 1.237 425 P CA -0.284 62.833 63.100 0.028 0.000 0.793 425 P CB 1.432 33.139 31.700 0.012 0.000 0.977 426 V N 0.908 120.838 119.914 0.026 0.000 2.237 426 V HA -0.146 3.945 4.120 -0.048 0.000 0.245 426 V C 1.403 177.509 176.094 0.020 0.000 1.046 426 V CA 1.847 64.160 62.300 0.022 0.000 1.007 426 V CB -1.011 30.824 31.823 0.019 0.000 0.638 426 V HN 0.551 nan 8.190 nan 0.000 0.445 427 E N 0.329 120.540 120.200 0.018 0.000 2.232 427 E HA 0.376 4.697 4.350 -0.048 0.000 0.296 427 E C 1.232 177.846 176.600 0.023 0.000 1.372 427 E CA 0.424 56.834 56.400 0.016 0.000 1.527 427 E CB 0.423 30.131 29.700 0.012 0.000 1.424 427 E HN 0.464 nan 8.360 nan 0.000 0.485 428 A N 0.737 123.569 122.820 0.021 0.000 1.902 428 A HA -0.164 4.127 4.320 -0.048 0.000 0.217 428 A C 2.313 179.908 177.584 0.018 0.000 1.181 428 A CA 1.471 53.522 52.037 0.023 0.000 0.623 428 A CB -0.064 18.942 19.000 0.010 0.000 0.818 428 A HN 0.337 nan 8.150 nan 0.000 0.443 429 S N -0.327 115.372 115.700 -0.001 0.000 2.356 429 S HA -0.148 4.293 4.470 -0.048 0.000 0.223 429 S C 2.061 176.656 174.600 -0.009 0.000 1.032 429 S CA 1.836 60.026 58.200 -0.018 0.000 1.005 429 S CB -0.662 62.526 63.200 -0.020 0.000 0.867 429 S HN 0.695 nan 8.310 nan 0.000 0.449 430 T N 2.956 117.511 114.554 0.003 0.000 2.684 430 T HA -0.036 4.285 4.350 -0.048 0.000 0.267 430 T C 1.774 176.491 174.700 0.029 0.000 1.036 430 T CA 1.167 63.271 62.100 0.007 0.000 1.148 430 T CB -0.528 68.347 68.868 0.012 0.000 0.863 430 T HN 0.232 nan 8.240 nan 0.000 0.436 431 L N 0.500 121.767 121.223 0.074 0.000 2.046 431 L HA -0.030 4.281 4.340 -0.048 0.000 0.208 431 L C 2.981 179.958 176.870 0.179 0.000 1.077 431 L CA 1.401 56.349 54.840 0.180 0.000 0.747 431 L CB -0.839 41.344 42.059 0.207 0.000 0.896 431 L HN 0.369 nan 8.230 nan 0.000 0.432 432 G N -0.504 108.351 108.800 0.092 0.000 2.422 432 G HA2 -0.291 3.640 3.960 -0.048 0.000 0.218 432 G HA3 -0.291 3.640 3.960 -0.048 0.000 0.218 432 G C 1.440 176.235 174.900 -0.175 0.000 1.140 432 G CA 0.665 45.738 45.100 -0.046 0.000 0.775 432 G HN 0.328 nan 8.290 nan 0.000 0.545 433 N N 1.186 119.823 118.700 -0.104 0.000 2.084 433 N HA -0.128 4.583 4.740 -0.048 0.000 0.190 433 N C 2.137 177.558 175.510 -0.148 0.000 1.030 433 N CA 0.997 53.983 53.050 -0.108 0.000 0.849 433 N CB -0.320 38.129 38.487 -0.063 0.000 1.012 433 N HN 0.174 nan 8.380 nan 0.000 0.423 434 I N 1.030 121.523 120.570 -0.129 0.000 2.208 434 I HA -0.148 3.993 4.170 -0.048 0.000 0.245 434 I C 2.454 178.369 176.117 -0.337 0.000 1.097 434 I CA 1.235 62.448 61.300 -0.145 0.000 1.363 434 I CB -1.881 36.100 38.000 -0.032 0.000 1.051 434 I HN 0.212 nan 8.210 nan 0.000 0.413 435 G N 1.570 109.965 108.800 -0.675 0.000 2.446 435 G HA2 -0.223 3.708 3.960 -0.048 0.000 0.217 435 G HA3 -0.223 3.708 3.960 -0.048 0.000 0.217 435 G C 1.630 176.162 174.900 -0.612 0.000 1.168 435 G CA 0.419 44.795 45.100 -1.206 0.000 0.771 435 G HN 0.227 nan 8.290 nan 0.000 0.551 436 I N 0.858 121.185 120.570 -0.405 0.000 2.315 436 I HA -0.154 3.987 4.170 -0.048 0.000 0.248 436 I C 2.843 178.853 176.117 -0.179 0.000 1.117 436 I CA 1.062 62.219 61.300 -0.240 0.000 1.404 436 I CB -1.199 36.704 38.000 -0.162 0.000 1.071 436 I HN 0.366 nan 8.210 nan 0.000 0.419 437 Q N 0.512 120.209 119.800 -0.172 0.000 2.061 437 Q HA -0.183 4.128 4.340 -0.048 0.000 0.204 437 Q C 2.441 178.377 176.000 -0.107 0.000 0.984 437 Q CA 1.325 57.060 55.803 -0.113 0.000 0.846 437 Q CB -0.194 28.491 28.738 -0.089 0.000 0.902 437 Q HN 0.476 nan 8.270 nan 0.000 0.421 438 L N -0.073 121.054 121.223 -0.160 0.000 2.083 438 L HA -0.198 4.113 4.340 -0.048 0.000 0.209 438 L C 2.455 179.264 176.870 -0.102 0.000 1.083 438 L CA 0.972 55.730 54.840 -0.136 0.000 0.752 438 L CB -0.316 41.584 42.059 -0.264 0.000 0.899 438 L HN 0.340 nan 8.230 nan 0.000 0.433 439 M N -1.109 118.410 119.600 -0.134 0.000 2.159 439 M HA -0.168 4.283 4.480 -0.048 0.000 0.263 439 M C 2.179 178.447 176.300 -0.054 0.000 1.063 439 M CA 1.794 57.041 55.300 -0.089 0.000 1.110 439 M CB -0.548 31.987 32.600 -0.108 0.000 1.374 439 M HN 0.187 nan 8.290 nan 0.000 0.411 440 T N 0.908 115.429 114.554 -0.056 0.000 2.951 440 T HA 0.018 4.339 4.350 -0.048 0.000 0.268 440 T C 1.626 176.316 174.700 -0.016 0.000 1.073 440 T CA 0.844 62.924 62.100 -0.034 0.000 1.134 440 T CB -0.164 68.681 68.868 -0.038 0.000 0.884 440 T HN 0.339 nan 8.240 nan 0.000 0.479 441 L N 0.995 122.210 121.223 -0.014 0.000 2.599 441 L HA 0.115 4.426 4.340 -0.048 0.000 0.230 441 L C 0.806 177.687 176.870 0.018 0.000 1.141 441 L CA 0.174 55.019 54.840 0.008 0.000 0.877 441 L CB -0.410 41.660 42.059 0.018 0.000 1.009 441 L HN 0.208 nan 8.230 nan 0.000 0.447 442 D N 0.485 120.891 120.400 0.010 0.000 2.800 442 D HA -0.191 4.420 4.640 -0.048 0.000 0.232 442 D C 0.924 177.251 176.300 0.046 0.000 1.137 442 D CA 0.666 54.678 54.000 0.020 0.000 0.718 442 D CB -0.418 40.393 40.800 0.020 0.000 1.084 442 D HN 0.327 nan 8.370 nan 0.000 0.432 443 E N -1.060 119.173 120.200 0.056 0.000 2.511 443 E HA 0.261 4.582 4.350 -0.048 0.000 0.209 443 E C 0.352 177.036 176.600 0.140 0.000 0.986 443 E CA -0.104 56.375 56.400 0.132 0.000 0.974 443 E CB 0.864 30.675 29.700 0.186 0.000 1.030 443 E HN 0.423 nan 8.360 nan 0.000 0.490 444 L N 0.399 121.649 121.223 0.045 0.000 2.545 444 L HA 0.352 4.663 4.340 -0.048 0.000 0.258 444 L C -0.183 176.693 176.870 0.009 0.000 0.942 444 L CA -0.260 54.595 54.840 0.025 0.000 0.855 444 L CB 1.878 43.891 42.059 -0.077 0.000 1.374 444 L HN -0.343 nan 8.230 nan 0.000 0.411 445 N N 1.660 120.376 118.700 0.028 0.000 2.402 445 N HA 0.139 4.850 4.740 -0.048 0.000 0.174 445 N C -0.535 174.977 175.510 0.002 0.000 1.027 445 N CA 0.790 53.849 53.050 0.015 0.000 0.891 445 N CB -0.165 38.338 38.487 0.026 0.000 1.016 445 N HN 0.797 nan 8.380 nan 0.000 0.439 446 N N -2.637 116.070 118.700 0.012 0.000 3.261 446 N HA 0.099 4.810 4.740 -0.048 0.000 0.248 446 N C 0.199 175.729 175.510 0.034 0.000 1.498 446 N CA -0.604 52.449 53.050 0.005 0.000 0.884 446 N CB 0.832 39.324 38.487 0.008 0.000 1.428 446 N HN -0.293 nan 8.380 nan 0.000 0.517 447 V N 0.239 120.171 119.914 0.029 0.000 2.358 447 V HA -0.165 3.926 4.120 -0.048 0.000 0.246 447 V C 1.207 177.366 176.094 0.108 0.000 1.047 447 V CA 2.124 64.468 62.300 0.073 0.000 1.035 447 V CB -0.821 31.023 31.823 0.034 0.000 0.658 447 V HN 0.666 nan 8.190 nan 0.000 0.452 448 D N 0.175 120.614 120.400 0.066 0.000 2.123 448 D HA -0.172 4.439 4.640 -0.048 0.000 0.196 448 D C 1.914 178.249 176.300 0.059 0.000 0.992 448 D CA 1.474 55.507 54.000 0.054 0.000 0.833 448 D CB -0.366 40.459 40.800 0.041 0.000 0.954 448 D HN 0.403 nan 8.370 nan 0.000 0.455 449 D N -0.345 120.099 120.400 0.074 0.000 2.117 449 D HA -0.139 4.472 4.640 -0.048 0.000 0.197 449 D C 1.811 178.174 176.300 0.105 0.000 0.987 449 D CA 0.367 54.414 54.000 0.079 0.000 0.829 449 D CB -0.443 40.408 40.800 0.084 0.000 0.961 449 D HN 0.159 nan 8.370 nan 0.000 0.460 450 F N 1.880 121.811 119.950 -0.032 0.000 2.134 450 F HA -0.098 4.401 4.527 -0.047 0.000 0.299 450 F C 2.214 177.993 175.800 -0.034 0.000 1.097 450 F CA 1.290 59.258 58.000 -0.053 0.000 1.264 450 F CB -0.062 38.890 39.000 -0.080 0.000 1.001 450 F HN -0.188 nan 8.300 nan 0.000 0.479 451 R N -0.113 120.344 120.500 -0.072 0.000 2.120 451 R HA -0.168 4.143 4.340 -0.048 0.000 0.234 451 R C 2.201 178.408 176.300 -0.155 0.000 1.123 451 R CA 1.609 57.614 56.100 -0.159 0.000 0.975 451 R CB -0.468 29.799 30.300 -0.055 0.000 0.866 451 R HN 0.475 nan 8.270 nan 0.000 0.446 452 Q N 0.088 119.838 119.800 -0.085 0.000 2.124 452 Q HA -0.120 4.191 4.340 -0.048 0.000 0.202 452 Q C 2.243 178.194 176.000 -0.082 0.000 0.977 452 Q CA 1.460 57.230 55.803 -0.055 0.000 0.850 452 Q CB -0.064 28.669 28.738 -0.007 0.000 0.901 452 Q HN 0.199 nan 8.270 nan 0.000 0.429 453 V N 0.552 120.390 119.914 -0.126 0.000 2.261 453 V HA -0.240 3.851 4.120 -0.048 0.000 0.246 453 V C 2.349 178.318 176.094 -0.208 0.000 1.047 453 V CA 1.527 63.750 62.300 -0.129 0.000 1.015 453 V CB -0.595 31.165 31.823 -0.105 0.000 0.642 453 V HN 0.164 nan 8.190 nan 0.000 0.446 454 V N 1.082 120.759 119.914 -0.395 0.000 2.332 454 V HA -0.260 3.831 4.120 -0.048 0.000 0.248 454 V C 2.729 178.733 176.094 -0.150 0.000 1.055 454 V CA 2.457 64.566 62.300 -0.318 0.000 1.038 454 V CB -0.903 30.681 31.823 -0.398 0.000 0.651 454 V HN 0.780 nan 8.190 nan 0.000 0.450 455 S N 0.451 116.079 115.700 -0.121 0.000 2.447 455 S HA -0.154 4.287 4.470 -0.048 0.000 0.233 455 S C 1.769 176.351 174.600 -0.031 0.000 1.006 455 S CA 1.530 59.699 58.200 -0.052 0.000 0.957 455 S CB -0.552 62.628 63.200 -0.033 0.000 0.773 455 S HN 0.766 nan 8.310 nan 0.000 0.507 456 T N -3.545 110.986 114.554 -0.039 0.000 3.069 456 T HA 0.289 4.610 4.350 -0.048 0.000 0.252 456 T C 1.242 175.932 174.700 -0.016 0.000 1.053 456 T CA 0.467 62.556 62.100 -0.018 0.000 0.964 456 T CB 0.233 69.096 68.868 -0.010 0.000 1.005 456 T HN 0.305 nan 8.240 nan 0.000 0.532 457 T N 1.424 115.961 114.554 -0.028 0.000 3.138 457 T HA 0.586 4.907 4.350 -0.048 0.000 0.245 457 T C 1.112 175.803 174.700 -0.015 0.000 0.982 457 T CA 0.303 62.392 62.100 -0.018 0.000 1.134 457 T CB -0.095 68.762 68.868 -0.018 0.000 1.032 457 T HN 0.585 nan 8.240 nan 0.000 0.442 458 A N 2.220 125.024 122.820 -0.025 0.000 2.366 458 A HA 0.365 4.656 4.320 -0.048 0.000 0.249 458 A C 0.288 177.873 177.584 0.002 0.000 1.084 458 A CA -0.368 51.663 52.037 -0.011 0.000 0.794 458 A CB -0.142 18.848 19.000 -0.017 0.000 1.034 458 A HN 0.510 nan 8.150 nan 0.000 0.491 459 N N 1.213 119.919 118.700 0.010 0.000 2.431 459 N HA 0.267 4.978 4.740 -0.048 0.000 0.265 459 N C -1.217 174.310 175.510 0.028 0.000 1.184 459 N CA 0.045 53.104 53.050 0.015 0.000 0.943 459 N CB 0.039 38.536 38.487 0.017 0.000 1.080 459 N HN 0.510 nan 8.380 nan 0.000 0.477 460 L N 2.913 124.153 121.223 0.027 0.000 2.333 460 L HA 0.376 4.687 4.340 -0.048 0.000 0.280 460 L C -0.184 176.704 176.870 0.029 0.000 1.004 460 L CA -0.729 54.139 54.840 0.046 0.000 0.820 460 L CB 2.032 44.124 42.059 0.055 0.000 1.247 460 L HN 0.380 nan 8.230 nan 0.000 0.416 461 T N 0.620 115.207 114.554 0.055 0.000 2.779 461 T HA 0.352 4.673 4.350 -0.048 0.000 0.280 461 T C -0.014 174.683 174.700 -0.006 0.000 0.987 461 T CA -0.440 61.654 62.100 -0.009 0.000 0.966 461 T CB 1.613 70.491 68.868 0.017 0.000 0.933 461 T HN 0.421 nan 8.240 nan 0.000 0.442 462 T N 3.780 118.248 114.554 -0.144 0.000 2.771 462 T HA 0.492 4.813 4.350 -0.048 0.000 0.291 462 T C -0.599 173.918 174.700 -0.305 0.000 0.954 462 T CA -0.223 61.816 62.100 -0.101 0.000 1.045 462 T CB -0.044 68.775 68.868 -0.082 0.000 0.917 462 T HN 0.353 nan 8.240 nan 0.000 0.484 463 F N 1.928 121.853 119.950 -0.041 0.000 2.402 463 F HA 0.341 4.839 4.527 -0.048 0.000 0.355 463 F C 1.029 176.809 175.800 -0.032 0.000 1.123 463 F CA -0.895 57.084 58.000 -0.035 0.000 1.021 463 F CB 1.431 40.408 39.000 -0.037 0.000 1.160 463 F HN 0.358 nan 8.300 nan 0.000 0.451 464 T N 5.465 120.066 114.554 0.078 0.000 2.806 464 T HA 0.283 4.604 4.350 -0.048 0.000 0.290 464 T C -2.431 172.305 174.700 0.061 0.000 0.966 464 T CA -1.388 60.740 62.100 0.046 0.000 1.060 464 T CB 0.917 69.788 68.868 0.006 0.000 0.927 464 T HN 0.208 nan 8.240 nan 0.000 0.485 465 P HA 0.115 nan 4.420 nan 0.000 0.268 465 P C -0.583 176.731 177.300 0.024 0.000 1.204 465 P CA -0.314 62.809 63.100 0.039 0.000 0.768 465 P CB 0.415 32.134 31.700 0.033 0.000 0.842 466 N N 4.459 123.167 118.700 0.015 0.000 2.469 466 N HA 0.200 4.911 4.740 -0.048 0.000 0.253 466 N C -1.697 173.799 175.510 -0.023 0.000 0.970 466 N CA -2.671 50.377 53.050 -0.004 0.000 0.940 466 N CB 0.889 39.369 38.487 -0.011 0.000 1.128 466 N HN 0.149 nan 8.380 nan 0.000 0.503 467 P HA 0.032 nan 4.420 nan 0.000 0.229 467 P C -0.360 176.934 177.300 -0.011 0.000 1.160 467 P CA 0.876 63.979 63.100 0.006 0.000 0.777 467 P CB 0.556 32.274 31.700 0.030 0.000 0.814 468 D N -0.510 119.850 120.400 -0.067 0.000 2.395 468 D HA 0.035 4.646 4.640 -0.048 0.000 0.213 468 D C 0.838 176.816 176.300 -0.537 0.000 1.110 468 D CA 0.241 54.160 54.000 -0.135 0.000 0.835 468 D CB 0.260 41.092 40.800 0.054 0.000 0.965 468 D HN 0.225 nan 8.370 nan 0.000 0.505 469 S N -0.185 115.270 115.700 -0.408 0.000 2.614 469 S HA 0.135 4.576 4.470 -0.048 0.000 0.265 469 S C 1.365 175.712 174.600 -0.423 0.000 1.303 469 S CA -0.467 57.549 58.200 -0.307 0.000 1.000 469 S CB 1.980 65.100 63.200 -0.134 0.000 0.935 469 S HN -0.002 nan 8.310 nan 0.000 0.551 470 E N 0.453 120.542 120.200 -0.184 0.000 2.070 470 E HA -0.180 4.141 4.350 -0.048 0.000 0.197 470 E C 1.757 178.365 176.600 0.012 0.000 1.004 470 E CA 1.560 57.928 56.400 -0.054 0.000 0.805 470 E CB -0.270 29.425 29.700 -0.008 0.000 0.744 470 E HN 0.750 nan 8.360 nan 0.000 0.451 471 I N 0.427 120.993 120.570 -0.006 0.000 2.439 471 I HA -0.195 3.946 4.170 -0.048 0.000 0.251 471 I C 2.244 178.420 176.117 0.100 0.000 1.139 471 I CA 0.691 62.023 61.300 0.052 0.000 1.438 471 I CB -0.005 38.001 38.000 0.009 0.000 1.085 471 I HN 0.039 nan 8.210 nan 0.000 0.427 472 A N -0.036 122.790 122.820 0.010 0.000 1.902 472 A HA -0.266 4.025 4.320 -0.048 0.000 0.217 472 A C 2.021 179.671 177.584 0.110 0.000 1.181 472 A CA 1.805 53.856 52.037 0.022 0.000 0.623 472 A CB -1.159 17.811 19.000 -0.049 0.000 0.818 472 A HN 0.597 nan 8.150 nan 0.000 0.443 473 H N -3.381 115.728 119.070 0.064 0.000 2.353 473 H HA -0.158 4.369 4.556 -0.048 0.000 0.300 473 H C 2.038 177.404 175.328 0.065 0.000 1.090 473 H CA 1.539 57.616 56.048 0.048 0.000 1.327 473 H CB -0.167 29.622 29.762 0.046 0.000 1.383 473 H HN 0.669 nan 8.280 nan 0.000 0.508 474 Y N 1.222 121.597 120.300 0.126 0.000 2.128 474 Y HA -0.262 4.259 4.550 -0.049 0.000 0.284 474 Y C 2.393 178.338 175.900 0.075 0.000 1.154 474 Y CA 1.280 59.424 58.100 0.073 0.000 1.149 474 Y CB -0.441 38.044 38.460 0.042 0.000 0.976 474 Y HN -0.076 nan 8.280 nan 0.000 0.505 475 V N 0.370 120.414 119.914 0.218 0.000 2.407 475 V HA -0.318 3.773 4.120 -0.048 0.000 0.248 475 V C 2.647 178.789 176.094 0.080 0.000 1.055 475 V CA 1.658 64.058 62.300 0.167 0.000 1.049 475 V CB -1.494 30.434 31.823 0.175 0.000 0.662 475 V HN 0.589 nan 8.190 nan 0.000 0.455 476 A N -0.445 122.380 122.820 0.007 0.000 1.908 476 A HA -0.232 4.059 4.320 -0.048 0.000 0.218 476 A C 2.253 179.829 177.584 -0.014 0.000 1.181 476 A CA 2.182 54.191 52.037 -0.047 0.000 0.627 476 A CB -0.563 18.433 19.000 -0.007 0.000 0.818 476 A HN 0.494 nan 8.150 nan 0.000 0.445 477 L N -0.176 121.015 121.223 -0.053 0.000 2.056 477 L HA -0.093 4.218 4.340 -0.048 0.000 0.207 477 L C 1.817 178.623 176.870 -0.105 0.000 1.078 477 L CA 1.500 56.282 54.840 -0.096 0.000 0.749 477 L CB -0.289 41.678 42.059 -0.154 0.000 0.901 477 L HN 0.585 nan 8.230 nan 0.000 0.433 478 I N -4.025 116.455 120.570 -0.151 0.000 3.684 478 I HA 0.012 4.153 4.170 -0.048 0.000 0.308 478 I C 1.292 177.387 176.117 -0.038 0.000 1.263 478 I CA 0.781 62.004 61.300 -0.128 0.000 1.174 478 I CB -0.602 37.267 38.000 -0.217 0.000 1.021 478 I HN 0.103 nan 8.210 nan 0.000 0.451 479 H N 0.118 119.132 119.070 -0.093 0.000 2.481 479 H HA 0.355 4.882 4.556 -0.048 0.000 0.291 479 H C 1.289 176.584 175.328 -0.054 0.000 1.009 479 H CA 0.763 56.770 56.048 -0.068 0.000 1.282 479 H CB 0.356 30.085 29.762 -0.055 0.000 1.457 479 H HN 0.547 nan 8.280 nan 0.000 0.525 480 S N 0.000 115.740 115.700 0.067 0.000 2.498 480 S HA 0.000 4.441 4.470 -0.048 0.000 0.327 480 S CA 0.000 58.211 58.200 0.018 0.000 1.107 480 S CB 0.000 63.213 63.200 0.022 0.000 0.593 480 S HN 0.000 nan 8.310 nan 0.000 0.517