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 2is6_1_B DATA FIRST_RESID 2 DATA SEQUENCE DVSYLLDSLN DKQREAVAAP RSNLLVLAGA GSGKTRVLVH RIAWLMSVEN DATA SEQUENCE CSPYSIMAVT FTNKAAAEMR HRIGQLMGTS QGGMWVGTFH GLAHRLLRAH DATA SEQUENCE HMDANLPQDF QILDSEDQLR LLKRLIKAMN LDEKQWPPRQ AMWYINSQKD DATA SEQUENCE EGLRPHHIXX XXNPVEQTWQ KVYQAYQEAC DRAGLVDFAE LLLRAHELWL DATA SEQUENCE NKPHILQHYR ERFTNILVDE FQDTNNIQYA WIRLLAGDTG KVMIVGDDDQ DATA SEQUENCE SIYGWRGAQV ENIQRFLNDF PGAETIRLEQ NYRSTSNILS AANALIENNN DATA SEQUENCE GRLGKKLWTD GADGEPISLY CAFNELDEAR FVVNRIKTWQ DNGGALAECA DATA SEQUENCE ILYRSNAQSR VLEEALLQAS MPYRIYGGMR FFERQEIKDA LSYLRLIVNR DATA SEQUENCE NDDAAFERVV NTPTRGIGDR TLDVVRQTSR DRQLTLWQAC RELLQEKALA DATA SEQUENCE GRAASALQRF MELIDALAQE TADMPLHVQT DRVIKDSGLR TMYEQEKGEK DATA SEQUENCE GQTRIENLEE LVTATRQFSX XXXXEDLMPL QAFLSHAALE AGEGQADTWQ DATA SEQUENCE DAVQLMTLHS AKGLEFPQVF IVGMEEGMFP SQMSLDEGGR LEEERRLAYV DATA SEQUENCE GVTRAMQKLT LTYAETRRLY GKEVYHRPSR FIGELPEECV EEVRLRATVS DATA SEQUENCE RPVSHQRMGT P 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 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.292 176.300 -0.013 0.000 2.045 2 D CA 0.000 53.981 54.000 -0.031 0.000 0.868 2 D CB 0.000 40.771 40.800 -0.048 0.000 0.688 3 V N 1.162 121.055 119.914 -0.035 0.000 2.352 3 V HA -0.381 3.739 4.120 -0.000 0.000 0.247 3 V C 2.728 178.883 176.094 0.102 0.000 1.073 3 V CA 5.392 67.697 62.300 0.008 0.000 1.104 3 V CB -1.735 30.054 31.823 -0.057 0.000 0.847 3 V HN 1.121 nan 8.190 nan 0.000 0.472 4 S N -1.642 114.099 115.700 0.069 0.000 2.389 4 S HA -0.302 4.168 4.470 -0.000 0.000 0.229 4 S C 2.136 176.783 174.600 0.077 0.000 1.048 4 S CA 3.743 61.989 58.200 0.076 0.000 1.117 4 S CB -0.911 62.316 63.200 0.045 0.000 1.020 4 S HN 1.886 nan 8.310 nan 0.000 0.430 5 Y N 1.640 121.969 120.300 0.048 0.000 2.096 5 Y HA -0.150 4.400 4.550 -0.000 0.000 0.278 5 Y C 2.508 178.447 175.900 0.065 0.000 1.192 5 Y CA 2.221 60.343 58.100 0.038 0.000 1.143 5 Y CB -1.355 37.107 38.460 0.003 0.000 0.963 5 Y HN 0.481 nan 8.280 nan 0.000 0.505 6 L N -0.687 120.585 121.223 0.081 0.000 2.187 6 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 6 L C 2.265 179.292 176.870 0.262 0.000 1.100 6 L CA 1.471 56.396 54.840 0.142 0.000 0.765 6 L CB -0.383 41.801 42.059 0.208 0.000 0.904 6 L HN 0.538 nan 8.230 nan 0.000 0.437 7 L N -1.849 119.484 121.223 0.184 0.000 2.575 7 L HA 0.055 4.395 4.340 -0.000 0.000 0.228 7 L C 1.658 178.570 176.870 0.070 0.000 1.075 7 L CA -0.042 54.869 54.840 0.120 0.000 0.867 7 L CB -0.243 41.884 42.059 0.114 0.000 1.097 7 L HN 0.070 nan 8.230 nan 0.000 0.485 8 D N 0.958 121.402 120.400 0.073 0.000 2.154 8 D HA -0.266 4.374 4.640 -0.000 0.000 0.190 8 D C 2.245 178.556 176.300 0.019 0.000 1.003 8 D CA 2.282 56.309 54.000 0.045 0.000 0.849 8 D CB 0.023 40.849 40.800 0.042 0.000 0.942 8 D HN 0.316 nan 8.370 nan 0.000 0.446 9 S N -0.484 115.219 115.700 0.005 0.000 2.470 9 S HA 0.034 4.504 4.470 -0.000 0.000 0.225 9 S C 0.883 175.419 174.600 -0.107 0.000 1.006 9 S CA -0.215 57.953 58.200 -0.053 0.000 0.934 9 S CB -0.427 62.722 63.200 -0.085 0.000 0.778 9 S HN 0.140 nan 8.310 nan 0.000 0.517 10 L N 3.283 124.448 121.223 -0.097 0.000 2.483 10 L HA 0.238 4.578 4.340 -0.000 0.000 0.276 10 L C 0.537 177.379 176.870 -0.046 0.000 1.213 10 L CA -0.543 54.225 54.840 -0.121 0.000 0.843 10 L CB -0.194 41.795 42.059 -0.116 0.000 1.107 10 L HN 0.385 nan 8.230 nan 0.000 0.487 11 N N 0.048 118.739 118.700 -0.015 0.000 2.413 11 N HA 0.087 4.827 4.740 -0.000 0.000 0.266 11 N C 0.262 175.784 175.510 0.020 0.000 1.238 11 N CA -0.646 52.436 53.050 0.053 0.000 0.972 11 N CB 0.408 38.974 38.487 0.132 0.000 1.210 11 N HN 0.418 nan 8.380 nan 0.000 0.547 12 D N -0.194 120.229 120.400 0.037 0.000 2.154 12 D HA -0.190 4.449 4.640 -0.000 0.000 0.190 12 D C 1.276 177.574 176.300 -0.003 0.000 1.003 12 D CA 1.756 55.767 54.000 0.018 0.000 0.849 12 D CB -0.116 40.704 40.800 0.035 0.000 0.942 12 D HN 0.495 nan 8.370 nan 0.000 0.446 13 K N 0.483 120.888 120.400 0.008 0.000 2.097 13 K HA -0.020 4.300 4.320 -0.000 0.000 0.205 13 K C 2.213 178.789 176.600 -0.040 0.000 1.050 13 K CA 0.862 57.144 56.287 -0.009 0.000 0.938 13 K CB -0.208 32.298 32.500 0.010 0.000 0.718 13 K HN 0.261 nan 8.250 nan 0.000 0.442 14 Q N -0.460 119.313 119.800 -0.046 0.000 2.119 14 Q HA -0.058 4.282 4.340 -0.000 0.000 0.201 14 Q C 2.118 178.046 176.000 -0.119 0.000 0.972 14 Q CA 1.081 56.832 55.803 -0.088 0.000 0.847 14 Q CB -0.057 28.615 28.738 -0.110 0.000 0.903 14 Q HN 0.184 nan 8.270 nan 0.000 0.433 15 R N 0.728 121.165 120.500 -0.106 0.000 2.073 15 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 15 R C 2.203 178.393 176.300 -0.183 0.000 1.134 15 R CA 1.385 57.399 56.100 -0.142 0.000 0.952 15 R CB -0.182 30.063 30.300 -0.091 0.000 0.850 15 R HN 0.357 nan 8.270 nan 0.000 0.433 16 E N 0.373 120.500 120.200 -0.122 0.000 2.085 16 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 16 E C 1.842 178.355 176.600 -0.145 0.000 0.994 16 E CA 1.420 57.751 56.400 -0.116 0.000 0.801 16 E CB -0.026 29.636 29.700 -0.064 0.000 0.743 16 E HN 0.358 nan 8.360 nan 0.000 0.453 17 A N 0.288 123.029 122.820 -0.132 0.000 1.873 17 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 17 A C 2.398 179.865 177.584 -0.195 0.000 1.186 17 A CA 1.388 53.347 52.037 -0.129 0.000 0.616 17 A CB -0.561 18.381 19.000 -0.096 0.000 0.823 17 A HN 0.227 nan 8.150 nan 0.000 0.442 18 V N -0.479 119.283 119.914 -0.253 0.000 2.358 18 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 18 V C 2.423 178.027 176.094 -0.815 0.000 1.047 18 V CA 1.722 63.808 62.300 -0.358 0.000 1.035 18 V CB -0.814 30.854 31.823 -0.258 0.000 0.658 18 V HN 0.564 nan 8.190 nan 0.000 0.452 19 A N -0.386 121.881 122.820 -0.922 0.000 2.532 19 A HA 0.679 4.999 4.320 -0.000 0.000 0.273 19 A C 0.799 178.059 177.584 -0.540 0.000 1.342 19 A CA 0.432 51.644 52.037 -1.376 0.000 0.929 19 A CB -0.569 17.781 19.000 -1.083 0.000 1.051 19 A HN 0.451 nan 8.150 nan 0.000 0.521 20 A N 1.281 123.892 122.820 -0.348 0.000 2.286 20 A HA 0.688 5.008 4.320 -0.000 0.000 0.286 20 A C -2.153 175.436 177.584 0.009 0.000 1.097 20 A CA -1.591 50.378 52.037 -0.114 0.000 0.821 20 A CB 0.104 19.052 19.000 -0.087 0.000 1.076 20 A HN 0.337 nan 8.150 nan 0.000 0.490 21 P HA 0.124 nan 4.420 nan 0.000 0.272 21 P C -0.793 176.556 177.300 0.083 0.000 1.240 21 P CA -0.237 62.919 63.100 0.094 0.000 0.791 21 P CB 0.399 32.140 31.700 0.068 0.000 0.978 22 R N 0.875 121.433 120.500 0.096 0.000 2.446 22 R HA 0.349 4.689 4.340 -0.000 0.000 0.314 22 R C 0.528 176.868 176.300 0.066 0.000 1.003 22 R CA 0.438 56.589 56.100 0.085 0.000 1.018 22 R CB -0.169 30.180 30.300 0.082 0.000 0.945 22 R HN 0.494 nan 8.270 nan 0.000 0.419 23 S N 2.045 117.785 115.700 0.068 0.000 2.578 23 S HA 0.167 4.637 4.470 -0.000 0.000 0.272 23 S C -1.400 173.252 174.600 0.088 0.000 1.145 23 S CA -1.033 57.206 58.200 0.065 0.000 0.835 23 S CB 1.120 64.348 63.200 0.048 0.000 1.104 23 S HN 0.578 nan 8.310 nan 0.000 0.458 24 N N 2.007 120.768 118.700 0.103 0.000 2.431 24 N HA 0.356 5.096 4.740 -0.000 0.000 0.265 24 N C -0.833 174.785 175.510 0.179 0.000 1.184 24 N CA 0.097 53.249 53.050 0.170 0.000 0.943 24 N CB 0.567 39.123 38.487 0.116 0.000 1.080 24 N HN 0.520 nan 8.380 nan 0.000 0.477 25 L N 2.896 124.241 121.223 0.203 0.000 2.388 25 L HA 0.586 4.926 4.340 -0.000 0.000 0.264 25 L C -1.479 175.410 176.870 0.033 0.000 0.998 25 L CA -1.009 53.905 54.840 0.124 0.000 0.817 25 L CB 1.944 44.025 42.059 0.036 0.000 1.338 25 L HN 0.331 nan 8.230 nan 0.000 0.414 26 L N 5.179 126.410 121.223 0.014 0.000 2.356 26 L HA 0.696 5.036 4.340 -0.000 0.000 0.277 26 L C -1.421 175.392 176.870 -0.095 0.000 0.996 26 L CA -0.357 54.389 54.840 -0.157 0.000 0.822 26 L CB 1.873 43.868 42.059 -0.107 0.000 1.256 26 L HN 0.337 nan 8.230 nan 0.000 0.413 27 V N 6.441 126.284 119.914 -0.119 0.000 2.294 27 V HA 0.380 4.500 4.120 -0.000 0.000 0.272 27 V C -0.328 175.732 176.094 -0.056 0.000 1.027 27 V CA -0.408 61.851 62.300 -0.069 0.000 0.823 27 V CB 0.994 32.778 31.823 -0.065 0.000 1.030 27 V HN 0.673 nan 8.190 nan 0.000 0.457 28 L N 5.532 126.735 121.223 -0.034 0.000 2.276 28 L HA 0.911 5.251 4.340 -0.000 0.000 0.286 28 L C 0.042 176.911 176.870 -0.002 0.000 1.024 28 L CA 0.181 55.012 54.840 -0.015 0.000 0.826 28 L CB 0.836 42.891 42.059 -0.008 0.000 1.211 28 L HN 0.744 nan 8.230 nan 0.000 0.422 29 A N 3.256 126.080 122.820 0.006 0.000 2.612 29 A HA 0.742 5.062 4.320 -0.000 0.000 0.293 29 A C -0.154 177.448 177.584 0.030 0.000 1.075 29 A CA -0.248 51.795 52.037 0.010 0.000 0.680 29 A CB 0.436 19.433 19.000 -0.005 0.000 1.279 29 A HN 0.912 nan 8.150 nan 0.000 0.411 30 G N -0.069 108.754 108.800 0.039 0.000 2.716 30 G HA2 0.604 4.564 3.960 -0.000 0.000 0.251 30 G HA3 0.604 4.564 3.960 -0.000 0.000 0.251 30 G C 0.628 175.569 174.900 0.068 0.000 1.224 30 G CA 0.298 45.454 45.100 0.094 0.000 0.891 30 G HN 2.002 nan 8.290 nan 0.000 0.561 31 A N -1.009 121.866 122.820 0.091 0.000 2.498 31 A HA 0.526 4.846 4.320 -0.000 0.000 0.239 31 A C 1.665 179.218 177.584 -0.052 0.000 1.068 31 A CA 1.134 53.159 52.037 -0.021 0.000 0.766 31 A CB -0.352 18.556 19.000 -0.153 0.000 1.003 31 A HN 2.633 nan 8.150 nan 0.000 0.497 32 G N 0.823 109.591 108.800 -0.053 0.000 2.168 32 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.257 32 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.257 32 G C 0.830 175.721 174.900 -0.016 0.000 0.997 32 G CA 1.238 46.311 45.100 -0.045 0.000 0.708 32 G HN 2.120 nan 8.290 nan 0.000 0.520 33 S N -0.815 114.875 115.700 -0.016 0.000 2.605 33 S HA 0.458 4.928 4.470 -0.000 0.000 0.217 33 S C 1.825 176.456 174.600 0.052 0.000 0.958 33 S CA 0.937 59.139 58.200 0.004 0.000 0.919 33 S CB 0.472 63.644 63.200 -0.047 0.000 0.780 33 S HN 2.271 nan 8.310 nan 0.000 0.507 34 G N 1.625 110.430 108.800 0.009 0.000 2.142 34 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.225 34 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.225 34 G C 0.651 175.509 174.900 -0.070 0.000 1.015 34 G CA 0.331 45.397 45.100 -0.058 0.000 0.716 34 G HN 0.500 nan 8.290 nan 0.000 0.508 35 K N -0.655 119.720 120.400 -0.043 0.000 2.057 35 K HA -0.061 4.259 4.320 -0.000 0.000 0.207 35 K C 2.549 179.125 176.600 -0.041 0.000 1.049 35 K CA 1.797 58.060 56.287 -0.039 0.000 0.931 35 K CB -0.223 32.266 32.500 -0.020 0.000 0.714 35 K HN 0.345 nan 8.250 nan 0.000 0.440 36 T N 0.674 115.208 114.554 -0.034 0.000 2.867 36 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 36 T C 1.786 176.468 174.700 -0.030 0.000 1.057 36 T CA 1.128 63.214 62.100 -0.023 0.000 1.136 36 T CB -0.075 68.782 68.868 -0.018 0.000 0.874 36 T HN 0.219 nan 8.240 nan 0.000 0.466 37 R N 0.779 121.234 120.500 -0.075 0.000 2.066 37 R HA -0.031 4.309 4.340 -0.000 0.000 0.232 37 R C 2.243 178.450 176.300 -0.155 0.000 1.131 37 R CA 1.134 57.154 56.100 -0.133 0.000 0.955 37 R CB -0.782 29.364 30.300 -0.256 0.000 0.851 37 R HN 0.171 nan 8.270 nan 0.000 0.432 38 V N 1.266 121.091 119.914 -0.148 0.000 2.287 38 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 38 V C 2.325 178.405 176.094 -0.022 0.000 1.053 38 V CA 2.068 64.302 62.300 -0.110 0.000 1.027 38 V CB -0.533 31.231 31.823 -0.098 0.000 0.646 38 V HN 0.436 nan 8.190 nan 0.000 0.447 39 L N -0.418 120.798 121.223 -0.011 0.000 2.042 39 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 39 L C 2.358 179.262 176.870 0.057 0.000 1.076 39 L CA 1.707 56.556 54.840 0.016 0.000 0.749 39 L CB -0.160 41.903 42.059 0.007 0.000 0.893 39 L HN 0.170 nan 8.230 nan 0.000 0.432 40 V N -0.585 119.377 119.914 0.080 0.000 2.307 40 V HA -0.312 3.808 4.120 -0.000 0.000 0.245 40 V C 2.352 178.542 176.094 0.160 0.000 1.045 40 V CA 2.044 64.411 62.300 0.112 0.000 1.024 40 V CB -0.942 30.955 31.823 0.124 0.000 0.651 40 V HN 0.548 nan 8.190 nan 0.000 0.449 41 H N -0.409 118.666 119.070 0.007 0.000 2.423 41 H HA -0.156 4.400 4.556 -0.000 0.000 0.297 41 H C 2.569 177.947 175.328 0.083 0.000 1.075 41 H CA 1.527 57.596 56.048 0.036 0.000 1.342 41 H CB 0.176 29.942 29.762 0.007 0.000 1.395 41 H HN 0.192 nan 8.280 nan 0.000 0.530 42 R N 1.695 122.298 120.500 0.171 0.000 2.096 42 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 42 R C 2.158 178.565 176.300 0.178 0.000 1.127 42 R CA 1.075 57.255 56.100 0.133 0.000 0.968 42 R CB -0.805 29.528 30.300 0.056 0.000 0.861 42 R HN 0.318 nan 8.270 nan 0.000 0.440 43 I N 0.195 120.844 120.570 0.131 0.000 2.226 43 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 43 I C 2.270 178.455 176.117 0.114 0.000 1.100 43 I CA 1.402 62.769 61.300 0.112 0.000 1.374 43 I CB -0.462 37.584 38.000 0.078 0.000 1.057 43 I HN 0.317 nan 8.210 nan 0.000 0.413 44 A N 0.548 123.428 122.820 0.100 0.000 1.933 44 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 44 A C 2.261 179.919 177.584 0.123 0.000 1.175 44 A CA 1.237 53.314 52.037 0.067 0.000 0.628 44 A CB -1.043 17.955 19.000 -0.002 0.000 0.814 44 A HN 0.720 nan 8.150 nan 0.000 0.444 45 W N 0.757 122.058 121.300 0.002 0.000 2.355 45 W HA -0.147 4.513 4.660 -0.000 0.000 0.309 45 W C 1.626 178.154 176.519 0.014 0.000 1.206 45 W CA 1.658 59.010 57.345 0.011 0.000 1.284 45 W CB -0.423 29.052 29.460 0.026 0.000 1.145 45 W HN 0.316 nan 8.180 nan 0.000 0.502 46 L N 0.278 121.659 121.223 0.263 0.000 2.127 46 L HA -0.284 4.056 4.340 -0.000 0.000 0.211 46 L C 2.671 179.560 176.870 0.032 0.000 1.089 46 L CA 1.459 56.389 54.840 0.150 0.000 0.757 46 L CB -0.689 41.463 42.059 0.155 0.000 0.899 46 L HN -0.023 nan 8.230 nan 0.000 0.434 47 M N -1.192 118.421 119.600 0.022 0.000 2.287 47 M HA -0.104 4.376 4.480 -0.000 0.000 0.266 47 M C 2.494 178.756 176.300 -0.064 0.000 1.079 47 M CA 1.690 56.986 55.300 -0.007 0.000 1.146 47 M CB -0.062 32.545 32.600 0.012 0.000 1.374 47 M HN 0.361 nan 8.290 nan 0.000 0.435 48 S N -0.591 115.038 115.700 -0.118 0.000 2.355 48 S HA 0.005 4.475 4.470 -0.000 0.000 0.216 48 S C 1.768 176.204 174.600 -0.274 0.000 1.037 48 S CA 0.594 58.690 58.200 -0.173 0.000 0.955 48 S CB -0.762 62.333 63.200 -0.175 0.000 0.877 48 S HN 0.216 nan 8.310 nan 0.000 0.488 49 V N 2.510 122.128 119.914 -0.493 0.000 2.302 49 V HA 0.011 4.131 4.120 -0.000 0.000 0.243 49 V C 2.512 178.403 176.094 -0.338 0.000 1.036 49 V CA 1.646 63.581 62.300 -0.609 0.000 1.020 49 V CB -0.648 30.346 31.823 -1.381 0.000 0.657 49 V HN 0.461 nan 8.190 nan 0.000 0.453 50 E N -0.119 119.930 120.200 -0.251 0.000 2.502 50 E HA 0.013 4.363 4.350 -0.000 0.000 0.194 50 E C 0.163 176.727 176.600 -0.059 0.000 1.062 50 E CA -0.120 56.231 56.400 -0.083 0.000 0.867 50 E CB -0.294 29.418 29.700 0.020 0.000 0.888 50 E HN 0.565 nan 8.360 nan 0.000 0.510 51 N N 0.665 119.315 118.700 -0.084 0.000 2.716 51 N HA -0.178 4.562 4.740 -0.000 0.000 0.250 51 N C -0.513 174.986 175.510 -0.020 0.000 1.033 51 N CA 0.634 53.652 53.050 -0.053 0.000 0.727 51 N CB -2.046 36.410 38.487 -0.053 0.000 0.950 51 N HN 0.177 nan 8.380 nan 0.000 0.541 52 C N 0.398 119.697 119.300 -0.002 0.000 2.539 52 C HA 0.369 4.829 4.460 -0.000 0.000 0.392 52 C C 1.542 176.553 174.990 0.036 0.000 1.269 52 C CA -0.568 58.463 59.018 0.022 0.000 2.250 52 C CB 1.303 29.070 27.740 0.045 0.000 2.584 52 C HN 0.497 nan 8.230 nan 0.000 0.589 53 S N 2.257 117.986 115.700 0.048 0.000 2.580 53 S HA 0.208 4.678 4.470 -0.000 0.000 0.274 53 S C -1.486 173.190 174.600 0.126 0.000 1.329 53 S CA -0.889 57.367 58.200 0.094 0.000 1.036 53 S CB 0.771 64.032 63.200 0.103 0.000 0.919 53 S HN 0.571 nan 8.310 nan 0.000 0.515 54 P HA -0.066 nan 4.420 nan 0.000 0.219 54 P C 0.298 177.625 177.300 0.045 0.000 1.146 54 P CA 1.190 64.331 63.100 0.069 0.000 0.808 54 P CB -0.055 31.650 31.700 0.008 0.000 0.779 55 Y N -0.318 120.001 120.300 0.032 0.000 2.574 55 Y HA -0.073 4.477 4.550 -0.000 0.000 0.294 55 Y C 2.256 178.064 175.900 -0.154 0.000 1.142 55 Y CA 1.331 59.408 58.100 -0.038 0.000 1.314 55 Y CB -0.925 37.473 38.460 -0.104 0.000 0.991 55 Y HN 0.091 nan 8.280 nan 0.000 0.555 56 S N -1.094 114.654 115.700 0.079 0.000 2.556 56 S HA 0.219 4.689 4.470 -0.000 0.000 0.216 56 S C 0.274 175.032 174.600 0.264 0.000 0.970 56 S CA -0.233 57.996 58.200 0.048 0.000 0.912 56 S CB -0.513 62.705 63.200 0.031 0.000 0.790 56 S HN 0.197 nan 8.310 nan 0.000 0.504 57 I N 2.272 123.023 120.570 0.301 0.000 2.336 57 I HA 0.453 4.623 4.170 -0.000 0.000 0.292 57 I C -0.337 175.947 176.117 0.278 0.000 0.991 57 I CA -0.428 61.034 61.300 0.270 0.000 1.227 57 I CB 1.728 39.826 38.000 0.164 0.000 1.366 57 I HN 0.240 nan 8.210 nan 0.000 0.466 58 M N 6.572 126.240 119.600 0.113 0.000 2.142 58 M HA 0.670 5.150 4.480 -0.000 0.000 0.299 58 M C -1.402 174.906 176.300 0.014 0.000 0.960 58 M CA -0.444 54.816 55.300 -0.067 0.000 0.920 58 M CB 1.562 33.905 32.600 -0.428 0.000 1.541 58 M HN 0.663 nan 8.290 nan 0.000 0.429 59 A N 4.983 127.825 122.820 0.036 0.000 2.291 59 A HA 0.768 5.088 4.320 -0.000 0.000 0.311 59 A C -1.523 176.044 177.584 -0.028 0.000 1.224 59 A CA -0.614 51.433 52.037 0.017 0.000 0.821 59 A CB 1.368 20.385 19.000 0.029 0.000 1.172 59 A HN 0.742 nan 8.150 nan 0.000 0.494 60 V N 2.013 121.878 119.914 -0.082 0.000 3.078 60 V HA 0.946 5.066 4.120 -0.000 0.000 0.311 60 V C -0.290 175.625 176.094 -0.299 0.000 1.138 60 V CA 0.344 62.501 62.300 -0.239 0.000 1.007 60 V CB 2.462 34.065 31.823 -0.366 0.000 1.045 60 V HN 1.271 nan 8.190 nan 0.000 0.432 61 T N 2.167 116.488 114.554 -0.389 0.000 2.718 61 T HA 0.336 4.686 4.350 -0.000 0.000 0.306 61 T C -0.292 174.396 174.700 -0.021 0.000 1.485 61 T CA 0.259 62.269 62.100 -0.150 0.000 0.997 61 T CB 1.286 70.146 68.868 -0.013 0.000 1.504 61 T HN 0.616 nan 8.240 nan 0.000 0.497 62 F N 2.273 122.285 119.950 0.104 0.000 2.094 62 F HA 0.232 4.759 4.527 -0.000 0.000 0.291 62 F C 1.533 177.331 175.800 -0.005 0.000 1.109 62 F CA 1.770 59.849 58.000 0.132 0.000 1.221 62 F CB -0.584 38.397 39.000 -0.032 0.000 1.014 62 F HN 0.672 nan 8.300 nan 0.000 0.473 63 T N -0.677 113.679 114.554 -0.329 0.000 2.899 63 T HA 0.166 4.516 4.350 -0.000 0.000 0.284 63 T C 0.951 175.487 174.700 -0.275 0.000 1.004 63 T CA -0.578 61.250 62.100 -0.454 0.000 1.043 63 T CB 0.916 69.647 68.868 -0.228 0.000 1.013 63 T HN 0.187 nan 8.240 nan 0.000 0.518 64 N N 0.909 119.447 118.700 -0.271 0.000 2.188 64 N HA -0.073 4.667 4.740 -0.000 0.000 0.184 64 N C 1.739 177.123 175.510 -0.210 0.000 1.018 64 N CA 0.821 53.753 53.050 -0.196 0.000 0.858 64 N CB -0.132 38.283 38.487 -0.119 0.000 0.989 64 N HN 0.525 nan 8.380 nan 0.000 0.426 65 K N 1.294 121.513 120.400 -0.300 0.000 2.026 65 K HA 0.029 4.349 4.320 -0.000 0.000 0.208 65 K C 1.987 178.498 176.600 -0.148 0.000 1.048 65 K CA 0.884 57.008 56.287 -0.272 0.000 0.929 65 K CB -0.509 31.794 32.500 -0.327 0.000 0.713 65 K HN 0.126 nan 8.250 nan 0.000 0.439 66 A N 1.372 124.125 122.820 -0.111 0.000 1.898 66 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 66 A C 2.406 179.957 177.584 -0.055 0.000 1.181 66 A CA 1.985 53.988 52.037 -0.057 0.000 0.620 66 A CB -0.550 18.443 19.000 -0.012 0.000 0.819 66 A HN 0.301 nan 8.150 nan 0.000 0.442 67 A N -0.117 122.657 122.820 -0.077 0.000 1.898 67 A HA 0.190 4.510 4.320 -0.000 0.000 0.216 67 A C 2.480 180.036 177.584 -0.047 0.000 1.181 67 A CA 1.950 53.947 52.037 -0.068 0.000 0.620 67 A CB -0.965 17.979 19.000 -0.093 0.000 0.819 67 A HN 1.044 nan 8.150 nan 0.000 0.442 68 A N -0.389 122.397 122.820 -0.058 0.000 1.972 68 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 68 A C 1.948 179.532 177.584 0.000 0.000 1.169 68 A CA 2.102 54.120 52.037 -0.032 0.000 0.635 68 A CB -0.398 18.568 19.000 -0.057 0.000 0.810 68 A HN 0.530 nan 8.150 nan 0.000 0.446 69 E N -0.088 120.101 120.200 -0.019 0.000 2.072 69 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 69 E C 1.978 178.604 176.600 0.044 0.000 0.985 69 E CA 1.521 57.926 56.400 0.008 0.000 0.801 69 E CB -0.361 29.319 29.700 -0.033 0.000 0.750 69 E HN 0.613 nan 8.360 nan 0.000 0.452 70 M N -0.330 119.280 119.600 0.016 0.000 2.086 70 M HA -0.130 4.350 4.480 -0.000 0.000 0.261 70 M C 2.549 178.864 176.300 0.025 0.000 1.067 70 M CA 1.680 56.990 55.300 0.017 0.000 1.116 70 M CB -0.302 32.300 32.600 0.003 0.000 1.348 70 M HN 0.068 nan 8.290 nan 0.000 0.407 71 R N -0.638 119.878 120.500 0.027 0.000 2.091 71 R HA -0.248 4.092 4.340 -0.000 0.000 0.238 71 R C 2.195 178.526 176.300 0.052 0.000 1.136 71 R CA 2.207 58.325 56.100 0.030 0.000 0.959 71 R CB -0.383 29.932 30.300 0.025 0.000 0.856 71 R HN 0.405 nan 8.270 nan 0.000 0.437 72 H N 0.185 119.245 119.070 -0.016 0.000 2.321 72 H HA -0.023 4.533 4.556 -0.000 0.000 0.300 72 H C 1.967 177.290 175.328 -0.008 0.000 1.087 72 H CA 2.051 58.092 56.048 -0.012 0.000 1.319 72 H CB 0.097 29.849 29.762 -0.018 0.000 1.379 72 H HN 0.134 nan 8.280 nan 0.000 0.501 73 R N -0.209 120.227 120.500 -0.107 0.000 2.092 73 R HA -0.048 4.291 4.340 -0.000 0.000 0.231 73 R C 2.539 178.770 176.300 -0.116 0.000 1.119 73 R CA 1.446 57.456 56.100 -0.150 0.000 0.970 73 R CB -0.229 30.059 30.300 -0.019 0.000 0.864 73 R HN 0.389 nan 8.270 nan 0.000 0.440 74 I N 0.286 120.819 120.570 -0.061 0.000 2.127 74 I HA -0.213 3.957 4.170 -0.000 0.000 0.241 74 I C 2.591 178.665 176.117 -0.071 0.000 1.075 74 I CA 1.647 62.921 61.300 -0.043 0.000 1.334 74 I CB -0.744 37.250 38.000 -0.010 0.000 1.040 74 I HN 0.299 nan 8.210 nan 0.000 0.405 75 G N -0.113 108.637 108.800 -0.084 0.000 2.442 75 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 75 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 75 G C 1.565 176.392 174.900 -0.123 0.000 1.141 75 G CA 0.397 45.446 45.100 -0.085 0.000 0.763 75 G HN 0.313 nan 8.290 nan 0.000 0.554 76 Q N -0.661 119.014 119.800 -0.208 0.000 2.311 76 Q HA 0.108 4.448 4.340 -0.000 0.000 0.203 76 Q C 2.344 178.268 176.000 -0.127 0.000 0.954 76 Q CA 0.472 56.159 55.803 -0.193 0.000 0.885 76 Q CB 0.014 28.574 28.738 -0.296 0.000 0.963 76 Q HN 0.517 nan 8.270 nan 0.000 0.471 77 L N -1.214 119.936 121.223 -0.121 0.000 2.316 77 L HA 0.154 4.494 4.340 -0.000 0.000 0.207 77 L C 1.595 178.405 176.870 -0.099 0.000 1.070 77 L CA 1.317 56.084 54.840 -0.123 0.000 0.820 77 L CB 0.177 42.137 42.059 -0.165 0.000 0.992 77 L HN 0.031 nan 8.230 nan 0.000 0.466 78 M N -1.619 117.935 119.600 -0.077 0.000 2.306 78 M HA 0.368 4.848 4.480 -0.000 0.000 0.292 78 M C 1.347 177.622 176.300 -0.041 0.000 1.018 78 M CA 0.457 55.725 55.300 -0.054 0.000 1.007 78 M CB 0.495 33.071 32.600 -0.039 0.000 1.510 78 M HN 0.279 nan 8.290 nan 0.000 0.537 79 G N 1.282 110.054 108.800 -0.047 0.000 2.646 79 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.324 79 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.324 79 G C 0.856 175.743 174.900 -0.022 0.000 1.195 79 G CA 1.244 46.324 45.100 -0.035 0.000 0.976 79 G HN 0.337 nan 8.290 nan 0.000 0.546 80 T N 0.361 114.907 114.554 -0.014 0.000 3.044 80 T HA 0.312 4.662 4.350 -0.000 0.000 0.250 80 T C 1.672 176.371 174.700 -0.001 0.000 1.081 80 T CA 1.383 63.480 62.100 -0.005 0.000 1.040 80 T CB -0.378 68.490 68.868 -0.001 0.000 0.962 80 T HN 0.557 nan 8.240 nan 0.000 0.506 81 S N 2.559 118.257 115.700 -0.004 0.000 3.305 81 S HA 0.057 4.527 4.470 -0.000 0.000 0.248 81 S C 1.028 175.630 174.600 0.003 0.000 1.288 81 S CA -0.142 58.059 58.200 0.002 0.000 1.249 81 S CB -0.571 62.626 63.200 -0.005 0.000 1.116 81 S HN 0.816 nan 8.310 nan 0.000 0.465 82 Q N -0.518 119.282 119.800 -0.000 0.000 2.081 82 Q HA 0.269 4.609 4.340 -0.000 0.000 0.220 82 Q C 0.733 176.717 176.000 -0.027 0.000 0.775 82 Q CA -0.501 55.300 55.803 -0.003 0.000 0.983 82 Q CB -0.014 28.725 28.738 0.002 0.000 1.188 82 Q HN 0.339 nan 8.270 nan 0.000 0.458 83 G N 0.603 109.383 108.800 -0.033 0.000 2.305 83 G HA2 0.324 4.284 3.960 -0.000 0.000 0.243 83 G HA3 0.324 4.284 3.960 -0.000 0.000 0.243 83 G C 0.998 175.715 174.900 -0.304 0.000 1.288 83 G CA 0.403 45.460 45.100 -0.073 0.000 0.901 83 G HN 0.689 nan 8.290 nan 0.000 0.516 84 G N 1.593 110.156 108.800 -0.395 0.000 2.217 84 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 84 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 84 G C 0.584 175.300 174.900 -0.307 0.000 0.990 84 G CA 0.466 44.992 45.100 -0.956 0.000 0.627 84 G HN 0.902 nan 8.290 nan 0.000 0.522 85 M N 0.642 120.208 119.600 -0.056 0.000 2.211 85 M HA 0.550 5.030 4.480 -0.000 0.000 0.356 85 M C -0.630 175.905 176.300 0.391 0.000 1.216 85 M CA -0.647 54.751 55.300 0.164 0.000 1.134 85 M CB 0.310 32.964 32.600 0.090 0.000 1.564 85 M HN 0.146 nan 8.290 nan 0.000 0.463 86 W N 5.183 126.554 121.300 0.118 0.000 2.291 86 W HA 0.500 5.160 4.660 -0.000 0.000 0.312 86 W C -1.284 175.221 176.519 -0.022 0.000 1.061 86 W CA -0.651 56.723 57.345 0.049 0.000 1.296 86 W CB 0.895 30.349 29.460 -0.011 0.000 1.223 86 W HN 0.249 nan 8.180 nan 0.000 0.421 87 V N 4.579 124.558 119.914 0.109 0.000 2.443 87 V HA 0.956 5.076 4.120 -0.000 0.000 0.293 87 V C 0.293 176.364 176.094 -0.038 0.000 1.021 87 V CA -0.536 61.782 62.300 0.030 0.000 0.848 87 V CB 0.958 32.795 31.823 0.024 0.000 0.998 87 V HN 0.652 nan 8.190 nan 0.000 0.424 88 G N 3.237 111.996 108.800 -0.067 0.000 2.435 88 G HA2 0.583 4.543 3.960 -0.000 0.000 0.296 88 G HA3 0.583 4.543 3.960 -0.000 0.000 0.296 88 G C -0.475 174.333 174.900 -0.153 0.000 1.240 88 G CA 0.208 45.245 45.100 -0.105 0.000 0.872 88 G HN 0.759 nan 8.290 nan 0.000 0.480 89 T N -1.664 112.798 114.554 -0.153 0.000 2.912 89 T HA 0.577 4.927 4.350 -0.000 0.000 0.280 89 T C 0.920 175.504 174.700 -0.194 0.000 0.989 89 T CA -0.353 61.645 62.100 -0.170 0.000 0.995 89 T CB 1.334 70.137 68.868 -0.108 0.000 1.077 89 T HN 0.239 nan 8.240 nan 0.000 0.531 90 F N 0.380 120.276 119.950 -0.089 0.000 2.075 90 F HA -0.032 4.495 4.527 -0.000 0.000 0.297 90 F C 2.664 178.243 175.800 -0.368 0.000 1.113 90 F CA 1.801 59.619 58.000 -0.304 0.000 1.218 90 F CB -0.775 38.028 39.000 -0.329 0.000 0.984 90 F HN 0.697 nan 8.300 nan 0.000 0.472 91 H N -0.892 118.176 119.070 -0.003 0.000 2.387 91 H HA -0.051 4.505 4.556 -0.000 0.000 0.299 91 H C 2.453 177.762 175.328 -0.032 0.000 1.090 91 H CA 1.236 57.262 56.048 -0.036 0.000 1.332 91 H CB -0.920 28.819 29.762 -0.038 0.000 1.386 91 H HN 0.285 nan 8.280 nan 0.000 0.516 92 G N 0.429 109.254 108.800 0.043 0.000 2.433 92 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 92 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 92 G C 1.587 176.479 174.900 -0.013 0.000 1.186 92 G CA 0.820 45.917 45.100 -0.004 0.000 0.779 92 G HN 0.283 nan 8.290 nan 0.000 0.543 93 L N 0.631 121.805 121.223 -0.082 0.000 2.093 93 L HA 0.006 4.346 4.340 -0.000 0.000 0.208 93 L C 3.382 180.253 176.870 0.001 0.000 1.085 93 L CA 0.870 55.670 54.840 -0.066 0.000 0.755 93 L CB -0.454 41.648 42.059 0.073 0.000 0.904 93 L HN 0.318 nan 8.230 nan 0.000 0.435 94 A N -0.730 122.017 122.820 -0.122 0.000 1.933 94 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 94 A C 2.294 179.886 177.584 0.013 0.000 1.175 94 A CA 1.546 53.492 52.037 -0.151 0.000 0.628 94 A CB -0.889 17.903 19.000 -0.347 0.000 0.814 94 A HN 0.507 nan 8.150 nan 0.000 0.444 95 H N -0.191 118.877 119.070 -0.003 0.000 2.389 95 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 95 H C 2.238 177.630 175.328 0.106 0.000 1.081 95 H CA 1.711 57.820 56.048 0.101 0.000 1.345 95 H CB -0.142 29.688 29.762 0.114 0.000 1.393 95 H HN 0.518 nan 8.280 nan 0.000 0.520 96 R N 0.291 120.790 120.500 -0.001 0.000 2.115 96 R HA -0.055 4.285 4.340 -0.000 0.000 0.230 96 R C 2.606 178.913 176.300 0.012 0.000 1.111 96 R CA 0.917 56.965 56.100 -0.086 0.000 0.976 96 R CB -0.020 30.126 30.300 -0.257 0.000 0.870 96 R HN 0.315 nan 8.270 nan 0.000 0.445 97 L N 0.408 121.696 121.223 0.109 0.000 2.044 97 L HA -0.145 4.195 4.340 -0.000 0.000 0.205 97 L C 2.300 179.272 176.870 0.171 0.000 1.075 97 L CA 1.059 56.034 54.840 0.225 0.000 0.747 97 L CB -0.303 41.877 42.059 0.203 0.000 0.903 97 L HN 0.242 nan 8.230 nan 0.000 0.435 98 L N -0.857 120.423 121.223 0.095 0.000 2.191 98 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 98 L C 2.822 179.836 176.870 0.240 0.000 1.103 98 L CA 0.701 55.609 54.840 0.113 0.000 0.769 98 L CB -0.543 41.501 42.059 -0.025 0.000 0.908 98 L HN 0.254 nan 8.230 nan 0.000 0.438 99 R N 0.366 120.944 120.500 0.129 0.000 2.062 99 R HA 0.018 4.358 4.340 -0.000 0.000 0.229 99 R C 2.248 178.601 176.300 0.089 0.000 1.128 99 R CA 1.371 57.510 56.100 0.065 0.000 0.960 99 R CB -0.735 29.463 30.300 -0.170 0.000 0.855 99 R HN 0.290 nan 8.270 nan 0.000 0.432 100 A N 0.855 123.675 122.820 -0.001 0.000 2.209 100 A HA -0.085 4.235 4.320 -0.000 0.000 0.212 100 A C 0.344 177.725 177.584 -0.338 0.000 1.158 100 A CA 0.954 52.899 52.037 -0.154 0.000 0.742 100 A CB -0.174 18.690 19.000 -0.226 0.000 0.790 100 A HN 0.314 nan 8.150 nan 0.000 0.472 101 H N -1.490 117.733 119.070 0.254 0.000 2.907 101 H HA 0.072 4.628 4.556 -0.000 0.000 0.233 101 H C 0.962 176.374 175.328 0.140 0.000 1.285 101 H CA 0.157 56.310 56.048 0.175 0.000 0.981 101 H CB -0.534 29.322 29.762 0.158 0.000 2.255 101 H HN 0.780 nan 8.280 nan 0.000 0.601 102 H N -0.343 118.835 119.070 0.179 0.000 2.353 102 H HA -0.106 4.450 4.556 -0.000 0.000 0.298 102 H C 1.533 176.934 175.328 0.123 0.000 1.103 102 H CA 0.876 57.021 56.048 0.161 0.000 1.293 102 H CB 0.040 29.930 29.762 0.214 0.000 1.372 102 H HN 0.115 nan 8.280 nan 0.000 0.501 103 M N 1.413 120.700 119.600 -0.522 0.000 2.065 103 M HA -0.141 4.339 4.480 -0.000 0.000 0.259 103 M C 1.801 178.060 176.300 -0.067 0.000 1.069 103 M CA 1.285 56.407 55.300 -0.297 0.000 1.110 103 M CB -0.801 31.616 32.600 -0.304 0.000 1.328 103 M HN 0.282 nan 8.290 nan 0.000 0.405 104 D N -0.019 120.380 120.400 -0.002 0.000 2.264 104 D HA -0.017 4.623 4.640 -0.000 0.000 0.208 104 D C 1.672 177.997 176.300 0.041 0.000 0.966 104 D CA 1.179 55.205 54.000 0.044 0.000 0.864 104 D CB 0.149 40.986 40.800 0.062 0.000 0.933 104 D HN 0.347 nan 8.370 nan 0.000 0.499 105 A N 0.702 123.553 122.820 0.051 0.000 2.178 105 A HA -0.033 4.287 4.320 -0.000 0.000 0.211 105 A C 0.942 178.530 177.584 0.006 0.000 1.157 105 A CA 0.602 52.655 52.037 0.027 0.000 0.780 105 A CB -0.164 18.856 19.000 0.033 0.000 0.828 105 A HN 0.244 nan 8.150 nan 0.000 0.476 106 N N -1.764 116.946 118.700 0.016 0.000 2.816 106 N HA -0.125 4.615 4.740 -0.000 0.000 0.247 106 N C -0.841 174.685 175.510 0.027 0.000 1.100 106 N CA 0.734 53.792 53.050 0.015 0.000 0.687 106 N CB -1.988 36.502 38.487 0.005 0.000 1.003 106 N HN 0.404 nan 8.380 nan 0.000 0.554 107 L N -0.297 120.973 121.223 0.079 0.000 2.354 107 L HA 0.736 5.076 4.340 -0.000 0.000 0.264 107 L C -1.916 175.135 176.870 0.303 0.000 1.008 107 L CA -1.986 52.932 54.840 0.131 0.000 0.819 107 L CB 1.990 44.070 42.059 0.035 0.000 1.339 107 L HN -0.045 nan 8.230 nan 0.000 0.420 108 P HA 0.053 nan 4.420 nan 0.000 0.274 108 P C -0.262 177.180 177.300 0.236 0.000 1.246 108 P CA -0.444 62.817 63.100 0.269 0.000 0.795 108 P CB 0.674 32.466 31.700 0.153 0.000 1.006 109 Q N 0.825 120.637 119.800 0.019 0.000 2.077 109 Q HA -0.167 4.173 4.340 -0.000 0.000 0.206 109 Q C -0.098 175.702 176.000 -0.332 0.000 0.989 109 Q CA 1.630 57.157 55.803 -0.459 0.000 0.853 109 Q CB -0.611 27.971 28.738 -0.260 0.000 0.907 109 Q HN 0.393 nan 8.270 nan 0.000 0.418 110 D N 1.454 121.743 120.400 -0.185 0.000 3.088 110 D HA 0.184 4.824 4.640 -0.000 0.000 0.310 110 D C -0.558 175.638 176.300 -0.174 0.000 1.351 110 D CA -0.417 53.440 54.000 -0.240 0.000 0.921 110 D CB -0.278 40.433 40.800 -0.149 0.000 1.045 110 D HN 0.236 nan 8.370 nan 0.000 0.504 111 F N 0.322 120.255 119.950 -0.029 0.000 2.496 111 F HA 0.352 4.879 4.527 -0.000 0.000 0.344 111 F C 0.602 176.407 175.800 0.009 0.000 1.155 111 F CA -0.959 57.038 58.000 -0.005 0.000 1.302 111 F CB 0.416 39.421 39.000 0.008 0.000 1.159 111 F HN -0.187 nan 8.300 nan 0.000 0.595 112 Q N 2.846 122.785 119.800 0.231 0.000 2.282 112 Q HA 0.505 4.844 4.340 -0.000 0.000 0.260 112 Q C -1.057 175.051 176.000 0.180 0.000 0.964 112 Q CA -0.531 55.349 55.803 0.128 0.000 0.880 112 Q CB 1.178 29.948 28.738 0.055 0.000 1.286 112 Q HN 0.763 nan 8.270 nan 0.000 0.445 113 I N 4.034 124.677 120.570 0.122 0.000 2.441 113 I HA 0.119 4.289 4.170 -0.000 0.000 0.287 113 I C -0.374 175.674 176.117 -0.115 0.000 1.049 113 I CA -0.713 60.608 61.300 0.035 0.000 1.381 113 I CB 0.665 38.677 38.000 0.019 0.000 1.409 113 I HN 0.529 nan 8.210 nan 0.000 0.523 114 L N 7.681 128.785 121.223 -0.198 0.000 2.255 114 L HA 0.255 4.595 4.340 -0.000 0.000 0.289 114 L C -0.008 176.574 176.870 -0.481 0.000 1.046 114 L CA -0.209 54.506 54.840 -0.209 0.000 0.816 114 L CB 0.444 42.454 42.059 -0.082 0.000 1.197 114 L HN 0.579 nan 8.230 nan 0.000 0.427 115 D N 1.771 121.944 120.400 -0.378 0.000 2.478 115 D HA 0.166 4.806 4.640 -0.000 0.000 0.269 115 D C 0.920 177.167 176.300 -0.090 0.000 1.232 115 D CA -0.367 53.397 54.000 -0.394 0.000 1.059 115 D CB 0.498 41.278 40.800 -0.033 0.000 1.104 115 D HN 0.372 nan 8.370 nan 0.000 0.566 116 S N -0.810 114.963 115.700 0.123 0.000 2.359 116 S HA -0.249 4.221 4.470 -0.000 0.000 0.223 116 S C 1.590 176.246 174.600 0.094 0.000 1.039 116 S CA 1.651 59.934 58.200 0.139 0.000 1.042 116 S CB -0.498 62.814 63.200 0.186 0.000 0.915 116 S HN 0.727 nan 8.310 nan 0.000 0.439 117 E N 1.002 121.252 120.200 0.084 0.000 2.033 117 E HA -0.258 4.092 4.350 -0.000 0.000 0.199 117 E C 1.478 178.116 176.600 0.064 0.000 1.011 117 E CA 1.769 58.211 56.400 0.070 0.000 0.815 117 E CB -0.233 29.503 29.700 0.060 0.000 0.755 117 E HN 0.322 nan 8.360 nan 0.000 0.451 118 D N 0.225 120.655 120.400 0.050 0.000 2.116 118 D HA -0.232 4.408 4.640 -0.000 0.000 0.193 118 D C 1.945 178.293 176.300 0.080 0.000 0.998 118 D CA 1.392 55.425 54.000 0.054 0.000 0.836 118 D CB -0.430 40.387 40.800 0.028 0.000 0.951 118 D HN 0.321 nan 8.370 nan 0.000 0.449 119 Q N -0.320 119.526 119.800 0.077 0.000 2.061 119 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 119 Q C 2.159 178.219 176.000 0.100 0.000 0.984 119 Q CA 1.048 56.925 55.803 0.123 0.000 0.846 119 Q CB -0.231 28.563 28.738 0.093 0.000 0.902 119 Q HN 0.233 nan 8.270 nan 0.000 0.421 120 L N 0.866 122.136 121.223 0.077 0.000 2.046 120 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 120 L C 2.301 179.216 176.870 0.075 0.000 1.077 120 L CA 1.755 56.635 54.840 0.067 0.000 0.747 120 L CB -0.384 41.719 42.059 0.073 0.000 0.896 120 L HN 0.128 nan 8.230 nan 0.000 0.432 121 R N -0.789 119.759 120.500 0.080 0.000 2.080 121 R HA -0.192 4.148 4.340 -0.000 0.000 0.236 121 R C 2.352 178.711 176.300 0.097 0.000 1.137 121 R CA 1.973 58.121 56.100 0.080 0.000 0.943 121 R CB -0.753 29.591 30.300 0.074 0.000 0.846 121 R HN 0.429 nan 8.270 nan 0.000 0.431 122 L N 0.980 122.277 121.223 0.122 0.000 2.042 122 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 122 L C 2.061 179.030 176.870 0.165 0.000 1.076 122 L CA 1.440 56.373 54.840 0.155 0.000 0.749 122 L CB -0.170 42.014 42.059 0.207 0.000 0.893 122 L HN 0.239 nan 8.230 nan 0.000 0.432 123 L N -0.447 120.865 121.223 0.147 0.000 2.191 123 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 123 L C 2.565 179.502 176.870 0.112 0.000 1.103 123 L CA 1.200 56.110 54.840 0.117 0.000 0.769 123 L CB -0.372 41.706 42.059 0.032 0.000 0.908 123 L HN 0.297 nan 8.230 nan 0.000 0.438 124 K N -0.705 119.754 120.400 0.097 0.000 2.031 124 K HA -0.068 4.252 4.320 -0.000 0.000 0.205 124 K C 2.249 178.900 176.600 0.085 0.000 1.049 124 K CA 0.645 56.984 56.287 0.087 0.000 0.939 124 K CB 0.002 32.545 32.500 0.071 0.000 0.717 124 K HN 0.122 nan 8.250 nan 0.000 0.438 125 R N 0.979 121.531 120.500 0.088 0.000 2.096 125 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 125 R C 2.311 178.660 176.300 0.082 0.000 1.127 125 R CA 0.904 57.052 56.100 0.081 0.000 0.968 125 R CB -0.843 29.509 30.300 0.088 0.000 0.861 125 R HN 0.166 nan 8.270 nan 0.000 0.440 126 L N 0.967 122.252 121.223 0.103 0.000 2.027 126 L HA -0.051 4.289 4.340 -0.000 0.000 0.206 126 L C 2.213 179.129 176.870 0.076 0.000 1.074 126 L CA 1.506 56.408 54.840 0.103 0.000 0.745 126 L CB -0.448 41.706 42.059 0.157 0.000 0.898 126 L HN 0.042 nan 8.230 nan 0.000 0.433 127 I N -0.452 120.170 120.570 0.086 0.000 2.208 127 I HA -0.336 3.834 4.170 -0.000 0.000 0.245 127 I C 2.566 178.703 176.117 0.034 0.000 1.097 127 I CA 1.637 62.974 61.300 0.061 0.000 1.363 127 I CB -0.416 37.652 38.000 0.113 0.000 1.051 127 I HN 0.347 nan 8.210 nan 0.000 0.413 128 K N 1.447 121.877 120.400 0.049 0.000 2.057 128 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 128 K C 2.200 178.813 176.600 0.021 0.000 1.050 128 K CA 1.438 57.747 56.287 0.037 0.000 0.935 128 K CB -0.117 32.408 32.500 0.043 0.000 0.715 128 K HN 0.266 nan 8.250 nan 0.000 0.439 129 A N 1.068 123.904 122.820 0.026 0.000 2.024 129 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 129 A C 1.773 179.356 177.584 -0.001 0.000 1.164 129 A CA 1.397 53.444 52.037 0.017 0.000 0.643 129 A CB -0.415 18.602 19.000 0.027 0.000 0.806 129 A HN 0.392 nan 8.150 nan 0.000 0.451 130 M N -0.438 119.154 119.600 -0.014 0.000 2.608 130 M HA 0.075 4.555 4.480 -0.000 0.000 0.224 130 M C -0.069 176.193 176.300 -0.064 0.000 1.204 130 M CA -0.089 55.181 55.300 -0.050 0.000 0.984 130 M CB -0.440 32.110 32.600 -0.082 0.000 1.691 130 M HN 0.448 nan 8.290 nan 0.000 0.469 131 N N 0.571 119.251 118.700 -0.032 0.000 2.678 131 N HA -0.181 4.559 4.740 -0.000 0.000 0.249 131 N C -0.902 174.591 175.510 -0.029 0.000 1.119 131 N CA 0.720 53.756 53.050 -0.023 0.000 0.718 131 N CB -1.640 36.833 38.487 -0.024 0.000 1.060 131 N HN 0.433 nan 8.380 nan 0.000 0.552 132 L N 0.008 121.204 121.223 -0.045 0.000 2.350 132 L HA 0.222 4.562 4.340 -0.000 0.000 0.275 132 L C 0.816 177.742 176.870 0.092 0.000 1.099 132 L CA -0.551 54.266 54.840 -0.037 0.000 0.808 132 L CB 0.662 42.600 42.059 -0.202 0.000 1.149 132 L HN 0.140 nan 8.230 nan 0.000 0.442 133 D N 2.393 122.908 120.400 0.193 0.000 2.358 133 D HA 0.037 4.677 4.640 -0.000 0.000 0.258 133 D C 1.094 177.500 176.300 0.178 0.000 1.223 133 D CA 0.575 54.667 54.000 0.154 0.000 0.886 133 D CB 1.587 42.459 40.800 0.120 0.000 1.120 133 D HN 0.731 nan 8.370 nan 0.000 0.482 134 E N 4.452 124.722 120.200 0.116 0.000 2.114 134 E HA -0.265 4.084 4.350 -0.000 0.000 0.199 134 E C 1.727 178.374 176.600 0.078 0.000 1.008 134 E CA 1.661 58.126 56.400 0.108 0.000 0.810 134 E CB -0.561 29.181 29.700 0.070 0.000 0.739 134 E HN 0.653 nan 8.360 nan 0.000 0.456 135 K N -0.846 119.574 120.400 0.033 0.000 2.366 135 K HA -0.015 4.305 4.320 -0.000 0.000 0.198 135 K C 2.405 178.960 176.600 -0.074 0.000 1.044 135 K CA 1.053 57.331 56.287 -0.015 0.000 0.973 135 K CB 0.173 32.660 32.500 -0.022 0.000 0.767 135 K HN 0.489 nan 8.250 nan 0.000 0.475 136 Q N -0.696 119.054 119.800 -0.084 0.000 2.302 136 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 136 Q C -0.514 175.065 176.000 -0.702 0.000 0.936 136 Q CA 0.557 56.160 55.803 -0.333 0.000 0.886 136 Q CB 0.522 29.140 28.738 -0.200 0.000 0.986 136 Q HN 0.257 nan 8.270 nan 0.000 0.487 137 W N 1.182 122.457 121.300 -0.042 0.000 2.237 137 W HA 0.391 5.051 4.660 -0.000 0.000 0.289 137 W C -2.558 174.064 176.519 0.171 0.000 0.988 137 W CA -2.131 55.209 57.345 -0.008 0.000 1.671 137 W CB 1.011 30.327 29.460 -0.240 0.000 1.746 137 W HN -0.011 nan 8.180 nan 0.000 0.380 138 P HA -0.005 nan 4.420 nan 0.000 0.262 138 P C -1.748 175.657 177.300 0.174 0.000 1.199 138 P CA -0.401 62.788 63.100 0.148 0.000 0.763 138 P CB 0.718 32.418 31.700 -0.000 0.000 0.790 139 P HA -0.189 nan 4.420 nan 0.000 0.219 139 P C 1.703 178.991 177.300 -0.020 0.000 1.146 139 P CA 0.993 64.147 63.100 0.090 0.000 0.808 139 P CB 0.111 31.856 31.700 0.075 0.000 0.779 140 R N -0.458 119.979 120.500 -0.105 0.000 2.115 140 R HA -0.105 4.235 4.340 -0.000 0.000 0.230 140 R C 2.283 178.272 176.300 -0.518 0.000 1.111 140 R CA 1.410 57.353 56.100 -0.261 0.000 0.976 140 R CB -1.683 28.415 30.300 -0.336 0.000 0.870 140 R HN 0.252 nan 8.270 nan 0.000 0.445 141 Q N -0.330 119.203 119.800 -0.445 0.000 2.046 141 Q HA 0.086 4.426 4.340 -0.000 0.000 0.200 141 Q C 2.377 178.013 176.000 -0.607 0.000 0.975 141 Q CA 1.911 57.385 55.803 -0.548 0.000 0.836 141 Q CB -0.652 27.866 28.738 -0.366 0.000 0.896 141 Q HN 0.574 nan 8.270 nan 0.000 0.428 142 A N 0.979 123.498 122.820 -0.501 0.000 1.883 142 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 142 A C 2.158 179.643 177.584 -0.164 0.000 1.186 142 A CA 1.856 53.686 52.037 -0.346 0.000 0.624 142 A CB -0.641 18.408 19.000 0.082 0.000 0.822 142 A HN 0.443 nan 8.150 nan 0.000 0.444 143 M N -1.594 117.948 119.600 -0.096 0.000 2.080 143 M HA -0.196 4.284 4.480 -0.000 0.000 0.260 143 M C 1.936 178.306 176.300 0.117 0.000 1.068 143 M CA 2.087 57.379 55.300 -0.014 0.000 1.109 143 M CB -0.251 32.403 32.600 0.089 0.000 1.342 143 M HN 0.557 nan 8.290 nan 0.000 0.405 144 W N -0.288 120.929 121.300 -0.139 0.000 2.338 144 W HA -0.200 4.460 4.660 0.000 0.000 0.304 144 W C 2.384 178.806 176.519 -0.162 0.000 1.212 144 W CA 1.427 58.705 57.345 -0.113 0.000 1.264 144 W CB -1.603 27.801 29.460 -0.092 0.000 1.142 144 W HN 0.381 nan 8.180 nan 0.000 0.512 145 Y N 0.393 120.620 120.300 -0.122 0.000 2.089 145 Y HA -0.237 4.313 4.550 -0.000 0.000 0.282 145 Y C 2.405 178.144 175.900 -0.269 0.000 1.139 145 Y CA 2.205 60.151 58.100 -0.255 0.000 1.123 145 Y CB -0.888 37.261 38.460 -0.519 0.000 0.980 145 Y HN -0.172 nan 8.280 nan 0.000 0.493 146 I N 0.523 120.907 120.570 -0.309 0.000 2.127 146 I HA -0.414 3.756 4.170 -0.000 0.000 0.241 146 I C 2.026 177.858 176.117 -0.476 0.000 1.075 146 I CA 2.211 63.155 61.300 -0.593 0.000 1.334 146 I CB -0.652 37.071 38.000 -0.462 0.000 1.040 146 I HN 0.375 nan 8.210 nan 0.000 0.405 147 N N -0.138 118.413 118.700 -0.249 0.000 2.120 147 N HA -0.205 4.535 4.740 -0.000 0.000 0.188 147 N C 1.970 177.368 175.510 -0.186 0.000 1.024 147 N CA 1.402 54.363 53.050 -0.149 0.000 0.852 147 N CB -0.128 38.326 38.487 -0.054 0.000 1.003 147 N HN 0.184 nan 8.380 nan 0.000 0.424 148 S N 0.548 116.120 115.700 -0.214 0.000 2.399 148 S HA -0.178 4.292 4.470 -0.000 0.000 0.231 148 S C 1.914 176.362 174.600 -0.254 0.000 1.022 148 S CA 1.219 59.293 58.200 -0.209 0.000 0.983 148 S CB -0.103 62.990 63.200 -0.178 0.000 0.803 148 S HN 0.221 nan 8.310 nan 0.000 0.480 149 Q N 1.023 120.592 119.800 -0.385 0.000 2.079 149 Q HA 0.069 4.409 4.340 -0.000 0.000 0.200 149 Q C 1.951 177.843 176.000 -0.180 0.000 0.974 149 Q CA 1.615 57.210 55.803 -0.347 0.000 0.840 149 Q CB -0.106 28.288 28.738 -0.573 0.000 0.898 149 Q HN 0.503 nan 8.270 nan 0.000 0.430 150 K N 0.012 120.303 120.400 -0.181 0.000 2.288 150 K HA -0.071 4.249 4.320 -0.000 0.000 0.201 150 K C 1.270 177.815 176.600 -0.092 0.000 1.048 150 K CA 0.937 57.179 56.287 -0.075 0.000 0.956 150 K CB 0.131 32.609 32.500 -0.037 0.000 0.746 150 K HN 0.233 nan 8.250 nan 0.000 0.461 151 D N 1.299 121.622 120.400 -0.130 0.000 2.218 151 D HA -0.131 4.509 4.640 -0.000 0.000 0.204 151 D C 1.411 177.628 176.300 -0.138 0.000 0.976 151 D CA 1.086 54.993 54.000 -0.155 0.000 0.853 151 D CB 0.172 40.862 40.800 -0.182 0.000 0.939 151 D HN 0.179 nan 8.370 nan 0.000 0.481 152 E N -0.602 119.535 120.200 -0.105 0.000 2.474 152 E HA 0.161 4.511 4.350 -0.000 0.000 0.194 152 E C 1.380 177.959 176.600 -0.034 0.000 1.041 152 E CA 0.404 56.763 56.400 -0.069 0.000 0.874 152 E CB 0.569 30.236 29.700 -0.054 0.000 0.914 152 E HN 0.262 nan 8.360 nan 0.000 0.498 153 G N 1.600 110.382 108.800 -0.030 0.000 2.137 153 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.237 153 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.237 153 G C 0.114 175.040 174.900 0.044 0.000 1.002 153 G CA 0.140 45.250 45.100 0.016 0.000 0.702 153 G HN 0.197 nan 8.290 nan 0.000 0.515 154 L N 0.623 121.869 121.223 0.037 0.000 2.292 154 L HA 0.600 4.940 4.340 -0.000 0.000 0.284 154 L C 0.987 177.931 176.870 0.123 0.000 1.065 154 L CA -1.055 53.823 54.840 0.064 0.000 0.806 154 L CB 0.857 42.953 42.059 0.062 0.000 1.175 154 L HN 0.014 nan 8.230 nan 0.000 0.431 155 R N 3.739 124.239 120.500 -0.000 0.000 2.553 155 R HA 0.296 4.636 4.340 -0.000 0.000 0.263 155 R C -1.568 174.615 176.300 -0.196 0.000 1.066 155 R CA -2.381 53.633 56.100 -0.142 0.000 1.135 155 R CB 0.296 30.312 30.300 -0.472 0.000 1.148 155 R HN 0.327 nan 8.270 nan 0.000 0.558 156 P HA -0.169 nan 4.420 nan 0.000 0.229 156 P C 0.387 177.704 177.300 0.029 0.000 1.147 156 P CA 1.343 64.149 63.100 -0.489 0.000 0.766 156 P CB -0.071 31.232 31.700 -0.662 0.000 0.775 157 H N -0.988 118.073 119.070 -0.014 0.000 2.368 157 H HA -0.022 4.534 4.556 -0.000 0.000 0.303 157 H C 1.263 176.643 175.328 0.086 0.000 1.043 157 H CA 0.492 56.560 56.048 0.032 0.000 1.238 157 H CB -1.370 28.412 29.762 0.033 0.000 1.417 157 H HN 0.232 nan 8.280 nan 0.000 0.548 158 H N -0.536 118.685 119.070 0.252 0.000 3.971 158 H HA 0.067 4.623 4.556 -0.000 0.000 0.249 158 H C -0.227 175.202 175.328 0.168 0.000 0.596 158 H CA 0.302 56.468 56.048 0.198 0.000 0.746 158 H CB -1.687 28.214 29.762 0.232 0.000 1.110 158 H HN 0.713 nan 8.280 nan 0.000 0.358 165 P HA -0.065 nan 4.420 nan 0.000 0.213 165 P C 1.722 179.073 177.300 0.086 0.000 1.170 165 P CA 2.702 65.841 63.100 0.064 0.000 0.889 165 P CB -0.424 31.309 31.700 0.055 0.000 0.782 166 V N -1.386 118.596 119.914 0.114 0.000 2.515 166 V HA -0.154 3.966 4.120 -0.000 0.000 0.250 166 V C 2.619 178.797 176.094 0.140 0.000 1.058 166 V CA 2.186 64.583 62.300 0.161 0.000 1.064 166 V CB -1.764 30.133 31.823 0.123 0.000 0.675 166 V HN -0.007 nan 8.190 nan 0.000 0.461 167 E N 1.226 121.527 120.200 0.169 0.000 2.085 167 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 167 E C 2.281 178.971 176.600 0.149 0.000 0.994 167 E CA 2.093 58.616 56.400 0.206 0.000 0.801 167 E CB -0.535 29.285 29.700 0.199 0.000 0.743 167 E HN 0.779 nan 8.360 nan 0.000 0.453 168 Q N -0.817 119.034 119.800 0.086 0.000 2.167 168 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 168 Q C 2.066 178.045 176.000 -0.036 0.000 0.970 168 Q CA 1.708 57.540 55.803 0.047 0.000 0.855 168 Q CB 0.017 28.770 28.738 0.025 0.000 0.911 168 Q HN 0.319 nan 8.270 nan 0.000 0.438 169 T N -0.148 114.309 114.554 -0.161 0.000 2.732 169 T HA -0.154 4.196 4.350 -0.000 0.000 0.261 169 T C 1.208 175.703 174.700 -0.342 0.000 1.040 169 T CA 0.998 62.833 62.100 -0.443 0.000 1.145 169 T CB -0.442 67.819 68.868 -1.012 0.000 0.866 169 T HN 0.448 nan 8.240 nan 0.000 0.427 170 W N 1.361 122.528 121.300 -0.222 0.000 2.342 170 W HA -0.161 4.499 4.660 -0.000 0.000 0.297 170 W C 2.841 179.305 176.519 -0.092 0.000 1.213 170 W CA 0.499 57.639 57.345 -0.342 0.000 1.251 170 W CB -0.253 28.613 29.460 -0.990 0.000 1.136 170 W HN 0.252 nan 8.180 nan 0.000 0.526 171 Q N 1.073 121.029 119.800 0.261 0.000 2.135 171 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 171 Q C 1.853 178.016 176.000 0.272 0.000 0.981 171 Q CA 1.931 57.965 55.803 0.385 0.000 0.856 171 Q CB -0.150 28.751 28.738 0.272 0.000 0.902 171 Q HN 0.184 nan 8.270 nan 0.000 0.425 172 K N -1.146 119.330 120.400 0.127 0.000 2.062 172 K HA -0.050 4.270 4.320 -0.000 0.000 0.205 172 K C 1.981 178.650 176.600 0.116 0.000 1.051 172 K CA 1.274 57.600 56.287 0.065 0.000 0.941 172 K CB -0.021 32.452 32.500 -0.046 0.000 0.719 172 K HN 0.051 nan 8.250 nan 0.000 0.440 173 V N 1.008 121.005 119.914 0.137 0.000 2.392 173 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 173 V C 2.134 178.448 176.094 0.366 0.000 1.059 173 V CA 1.617 64.043 62.300 0.210 0.000 1.051 173 V CB -0.636 31.359 31.823 0.286 0.000 0.658 173 V HN 0.311 nan 8.190 nan 0.000 0.455 174 Y N 1.066 121.533 120.300 0.279 0.000 2.181 174 Y HA -0.232 4.318 4.550 -0.000 0.000 0.288 174 Y C 2.588 178.651 175.900 0.271 0.000 1.146 174 Y CA 1.935 60.224 58.100 0.315 0.000 1.164 174 Y CB -0.695 37.989 38.460 0.372 0.000 0.982 174 Y HN 0.331 nan 8.280 nan 0.000 0.515 175 Q N -0.301 119.606 119.800 0.178 0.000 2.050 175 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 175 Q C 2.433 178.483 176.000 0.083 0.000 0.980 175 Q CA 1.789 57.602 55.803 0.017 0.000 0.840 175 Q CB -0.302 28.446 28.738 0.016 0.000 0.898 175 Q HN 0.524 nan 8.270 nan 0.000 0.424 176 A N -0.205 122.694 122.820 0.131 0.000 1.902 176 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 176 A C 1.878 179.558 177.584 0.159 0.000 1.181 176 A CA 1.496 53.602 52.037 0.115 0.000 0.623 176 A CB -1.055 18.009 19.000 0.107 0.000 0.818 176 A HN 0.659 nan 8.150 nan 0.000 0.443 177 Y N 0.505 120.883 120.300 0.129 0.000 2.097 177 Y HA -0.277 4.273 4.550 -0.000 0.000 0.282 177 Y C 2.560 178.534 175.900 0.122 0.000 1.152 177 Y CA 2.345 60.533 58.100 0.147 0.000 1.136 177 Y CB -0.347 38.247 38.460 0.225 0.000 0.975 177 Y HN 0.306 nan 8.280 nan 0.000 0.498 178 Q N 0.684 120.508 119.800 0.041 0.000 2.030 178 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 178 Q C 2.166 178.097 176.000 -0.115 0.000 0.986 178 Q CA 2.218 57.965 55.803 -0.094 0.000 0.843 178 Q CB -0.534 28.189 28.738 -0.025 0.000 0.904 178 Q HN 0.691 nan 8.270 nan 0.000 0.420 179 E N 0.559 120.729 120.200 -0.050 0.000 2.085 179 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 179 E C 1.940 178.510 176.600 -0.050 0.000 0.994 179 E CA 1.112 57.489 56.400 -0.037 0.000 0.801 179 E CB -0.177 29.517 29.700 -0.009 0.000 0.743 179 E HN 0.351 nan 8.360 nan 0.000 0.453 180 A N 0.931 123.718 122.820 -0.054 0.000 1.877 180 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 180 A C 2.469 179.994 177.584 -0.099 0.000 1.186 180 A CA 1.407 53.414 52.037 -0.051 0.000 0.620 180 A CB -0.949 18.044 19.000 -0.011 0.000 0.822 180 A HN 0.368 nan 8.150 nan 0.000 0.443 181 C N -0.359 118.814 119.300 -0.212 0.000 2.455 181 C HA -0.100 4.360 4.460 -0.000 0.000 0.281 181 C C 2.427 177.346 174.990 -0.118 0.000 1.237 181 C CA 1.021 59.909 59.018 -0.217 0.000 1.726 181 C CB -1.261 26.241 27.740 -0.398 0.000 2.068 181 C HN 0.618 nan 8.230 nan 0.000 0.466 182 D N 0.032 120.366 120.400 -0.111 0.000 2.190 182 D HA -0.177 4.462 4.640 -0.000 0.000 0.200 182 D C 2.222 178.502 176.300 -0.034 0.000 0.992 182 D CA 1.282 55.244 54.000 -0.063 0.000 0.854 182 D CB -0.508 40.259 40.800 -0.055 0.000 0.936 182 D HN 0.544 nan 8.370 nan 0.000 0.462 183 R N 0.854 121.332 120.500 -0.036 0.000 2.066 183 R HA -0.056 4.284 4.340 -0.000 0.000 0.232 183 R C 2.078 178.371 176.300 -0.011 0.000 1.131 183 R CA 1.518 57.608 56.100 -0.017 0.000 0.955 183 R CB -0.150 30.140 30.300 -0.017 0.000 0.851 183 R HN 0.058 nan 8.270 nan 0.000 0.432 184 A N -0.313 122.497 122.820 -0.016 0.000 2.167 184 A HA 0.175 4.495 4.320 -0.000 0.000 0.214 184 A C 1.268 178.857 177.584 0.008 0.000 1.151 184 A CA 0.808 52.842 52.037 -0.005 0.000 0.735 184 A CB -0.354 18.645 19.000 -0.001 0.000 0.802 184 A HN 0.657 nan 8.150 nan 0.000 0.467 185 G N -1.019 107.788 108.800 0.011 0.000 2.212 185 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.255 185 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.255 185 G C -0.194 174.749 174.900 0.072 0.000 1.062 185 G CA 0.295 45.425 45.100 0.050 0.000 0.815 185 G HN 0.472 nan 8.290 nan 0.000 0.497 186 L N -0.445 120.787 121.223 0.016 0.000 2.325 186 L HA 0.766 5.106 4.340 -0.000 0.000 0.278 186 L C 0.134 176.986 176.870 -0.030 0.000 1.023 186 L CA -1.372 53.477 54.840 0.015 0.000 0.811 186 L CB 2.200 44.250 42.059 -0.016 0.000 1.249 186 L HN -0.044 nan 8.230 nan 0.000 0.431 187 V N 0.985 120.900 119.914 0.000 0.000 2.443 187 V HA 0.233 4.353 4.120 -0.000 0.000 0.293 187 V C -0.691 175.379 176.094 -0.041 0.000 1.021 187 V CA -0.910 61.361 62.300 -0.048 0.000 0.848 187 V CB 1.710 33.459 31.823 -0.123 0.000 0.998 187 V HN 0.822 nan 8.190 nan 0.000 0.424 188 D N 2.778 123.162 120.400 -0.026 0.000 2.383 188 D HA 0.274 4.914 4.640 -0.000 0.000 0.248 188 D C 0.889 177.189 176.300 0.000 0.000 1.170 188 D CA -0.554 53.403 54.000 -0.072 0.000 0.977 188 D CB 0.676 41.523 40.800 0.078 0.000 1.120 188 D HN 0.188 nan 8.370 nan 0.000 0.481 189 F N 0.306 120.316 119.950 0.099 0.000 2.087 189 F HA -0.151 4.376 4.527 0.000 0.000 0.299 189 F C 2.671 178.600 175.800 0.214 0.000 1.100 189 F CA 1.764 59.843 58.000 0.132 0.000 1.226 189 F CB -1.266 37.732 39.000 -0.004 0.000 0.983 189 F HN 0.545 nan 8.300 nan 0.000 0.479 190 A N -0.596 122.417 122.820 0.322 0.000 1.969 190 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 190 A C 2.088 179.725 177.584 0.089 0.000 1.169 190 A CA 1.606 53.748 52.037 0.174 0.000 0.635 190 A CB -0.723 18.337 19.000 0.100 0.000 0.810 190 A HN 0.320 nan 8.150 nan 0.000 0.445 191 E N 0.446 120.704 120.200 0.096 0.000 2.153 191 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 191 E C 1.746 178.341 176.600 -0.007 0.000 0.988 191 E CA 1.164 57.588 56.400 0.039 0.000 0.811 191 E CB -0.465 29.247 29.700 0.019 0.000 0.746 191 E HN 0.630 nan 8.360 nan 0.000 0.466 192 L N -0.216 121.027 121.223 0.033 0.000 2.017 192 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 192 L C 2.513 179.318 176.870 -0.108 0.000 1.073 192 L CA 1.169 56.008 54.840 -0.001 0.000 0.745 192 L CB -0.518 41.627 42.059 0.142 0.000 0.894 192 L HN 0.224 nan 8.230 nan 0.000 0.432 193 L N -0.952 120.170 121.223 -0.168 0.000 2.005 193 L HA -0.228 4.112 4.340 -0.000 0.000 0.207 193 L C 2.587 179.359 176.870 -0.164 0.000 1.072 193 L CA 0.767 55.426 54.840 -0.302 0.000 0.744 193 L CB -0.616 41.211 42.059 -0.387 0.000 0.895 193 L HN 0.237 nan 8.230 nan 0.000 0.433 194 L N 0.236 121.412 121.223 -0.078 0.000 2.042 194 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 194 L C 2.705 179.592 176.870 0.028 0.000 1.076 194 L CA 1.739 56.584 54.840 0.007 0.000 0.749 194 L CB -0.626 41.444 42.059 0.019 0.000 0.893 194 L HN 0.073 nan 8.230 nan 0.000 0.432 195 R N -0.214 120.269 120.500 -0.027 0.000 2.081 195 R HA -0.026 4.314 4.340 -0.000 0.000 0.235 195 R C 2.219 178.482 176.300 -0.062 0.000 1.131 195 R CA 1.534 57.605 56.100 -0.049 0.000 0.960 195 R CB -0.880 29.360 30.300 -0.100 0.000 0.856 195 R HN 0.513 nan 8.270 nan 0.000 0.436 196 A N -0.432 122.331 122.820 -0.095 0.000 1.902 196 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 196 A C 2.183 179.681 177.584 -0.142 0.000 1.181 196 A CA 1.765 53.708 52.037 -0.156 0.000 0.623 196 A CB -0.898 17.976 19.000 -0.210 0.000 0.818 196 A HN 0.593 nan 8.150 nan 0.000 0.443 197 H N -0.348 118.699 119.070 -0.039 0.000 2.357 197 H HA -0.064 4.492 4.556 -0.000 0.000 0.301 197 H C 1.897 177.280 175.328 0.093 0.000 1.082 197 H CA 1.606 57.735 56.048 0.135 0.000 1.342 197 H CB 0.085 29.968 29.762 0.202 0.000 1.389 197 H HN 0.636 nan 8.280 nan 0.000 0.511 198 E N 0.397 120.609 120.200 0.020 0.000 2.153 198 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 198 E C 2.276 178.861 176.600 -0.025 0.000 0.988 198 E CA 0.632 57.016 56.400 -0.026 0.000 0.811 198 E CB -0.013 29.695 29.700 0.013 0.000 0.746 198 E HN 0.266 nan 8.360 nan 0.000 0.466 199 L N 0.138 121.330 121.223 -0.052 0.000 2.127 199 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 199 L C 1.518 178.433 176.870 0.075 0.000 1.089 199 L CA 1.517 56.334 54.840 -0.039 0.000 0.757 199 L CB -0.242 41.746 42.059 -0.119 0.000 0.899 199 L HN 0.232 nan 8.230 nan 0.000 0.434 200 W N -1.130 120.154 121.300 -0.026 0.000 2.640 200 W HA 0.170 4.830 4.660 0.000 0.000 0.268 200 W C 2.162 178.620 176.519 -0.101 0.000 1.263 200 W CA 0.159 57.467 57.345 -0.061 0.000 1.344 200 W CB -0.532 28.891 29.460 -0.061 0.000 1.093 200 W HN 0.115 nan 8.180 nan 0.000 0.603 201 L N 0.739 122.000 121.223 0.063 0.000 2.395 201 L HA -0.095 4.245 4.340 -0.000 0.000 0.218 201 L C 1.344 178.233 176.870 0.033 0.000 1.130 201 L CA 0.857 55.694 54.840 -0.005 0.000 0.826 201 L CB -0.357 41.648 42.059 -0.089 0.000 0.941 201 L HN -0.099 nan 8.230 nan 0.000 0.451 202 N N -0.875 117.856 118.700 0.052 0.000 2.273 202 N HA 0.039 4.779 4.740 -0.000 0.000 0.192 202 N C 0.141 175.705 175.510 0.089 0.000 1.132 202 N CA 0.271 53.357 53.050 0.060 0.000 0.887 202 N CB 0.583 39.099 38.487 0.048 0.000 1.048 202 N HN -0.035 nan 8.380 nan 0.000 0.490 203 K N 0.771 121.225 120.400 0.090 0.000 2.682 203 K HA 0.377 4.697 4.320 -0.000 0.000 0.189 203 K C -1.933 174.682 176.600 0.026 0.000 1.062 203 K CA -2.259 54.068 56.287 0.065 0.000 0.997 203 K CB 1.756 34.207 32.500 -0.081 0.000 1.405 203 K HN -0.136 nan 8.250 nan 0.000 0.588 204 P HA -0.261 nan 4.420 nan 0.000 0.216 204 P C 1.012 178.355 177.300 0.072 0.000 1.154 204 P CA 1.476 64.628 63.100 0.087 0.000 0.865 204 P CB 0.103 31.862 31.700 0.099 0.000 0.789 205 H N -1.257 117.816 119.070 0.004 0.000 2.423 205 H HA -0.014 4.542 4.556 -0.000 0.000 0.297 205 H C 1.924 177.253 175.328 0.002 0.000 1.075 205 H CA 1.022 57.067 56.048 -0.006 0.000 1.342 205 H CB -1.430 28.326 29.762 -0.011 0.000 1.395 205 H HN 0.191 nan 8.280 nan 0.000 0.530 206 I N 0.392 120.656 120.570 -0.510 0.000 2.233 206 I HA -0.205 3.965 4.170 -0.000 0.000 0.243 206 I C 2.651 178.788 176.117 0.033 0.000 1.093 206 I CA 0.750 61.887 61.300 -0.271 0.000 1.380 206 I CB -0.166 37.665 38.000 -0.283 0.000 1.067 206 I HN 0.152 nan 8.210 nan 0.000 0.413 207 L N 0.595 121.805 121.223 -0.023 0.000 2.012 207 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 207 L C 2.508 179.238 176.870 -0.234 0.000 1.073 207 L CA 1.916 56.575 54.840 -0.302 0.000 0.748 207 L CB -0.904 40.985 42.059 -0.283 0.000 0.891 207 L HN 0.194 nan 8.230 nan 0.000 0.431 208 Q N -0.607 119.115 119.800 -0.129 0.000 2.061 208 Q HA -0.283 4.057 4.340 -0.000 0.000 0.204 208 Q C 2.342 178.262 176.000 -0.133 0.000 0.984 208 Q CA 2.052 57.787 55.803 -0.114 0.000 0.846 208 Q CB -0.709 27.998 28.738 -0.052 0.000 0.902 208 Q HN 0.748 nan 8.270 nan 0.000 0.421 209 H N -0.722 118.215 119.070 -0.221 0.000 2.352 209 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 209 H C 1.394 176.466 175.328 -0.427 0.000 1.097 209 H CA 1.652 57.503 56.048 -0.328 0.000 1.311 209 H CB 0.011 29.524 29.762 -0.415 0.000 1.377 209 H HN 0.261 nan 8.280 nan 0.000 0.504 210 Y N 0.668 120.914 120.300 -0.090 0.000 2.395 210 Y HA 0.036 4.586 4.550 -0.000 0.000 0.293 210 Y C 2.941 178.691 175.900 -0.250 0.000 1.123 210 Y CA 0.626 58.638 58.100 -0.146 0.000 1.227 210 Y CB -0.104 38.360 38.460 0.006 0.000 1.012 210 Y HN 0.091 nan 8.280 nan 0.000 0.552 211 R N 0.038 120.430 120.500 -0.180 0.000 2.148 211 R HA -0.123 4.217 4.340 -0.000 0.000 0.227 211 R C 1.790 177.985 176.300 -0.176 0.000 1.103 211 R CA 1.280 57.269 56.100 -0.184 0.000 0.983 211 R CB -0.090 30.087 30.300 -0.205 0.000 0.874 211 R HN 0.456 nan 8.270 nan 0.000 0.451 212 E N -0.299 119.755 120.200 -0.244 0.000 2.158 212 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 212 E C 1.974 178.387 176.600 -0.313 0.000 0.982 212 E CA 0.540 56.785 56.400 -0.258 0.000 0.823 212 E CB 0.171 29.700 29.700 -0.285 0.000 0.766 212 E HN 0.185 nan 8.360 nan 0.000 0.468 213 R N 0.147 120.377 120.500 -0.450 0.000 2.052 213 R HA 0.010 4.350 4.340 -0.000 0.000 0.224 213 R C 0.105 176.121 176.300 -0.472 0.000 1.149 213 R CA 0.579 56.342 56.100 -0.561 0.000 0.962 213 R CB 0.076 29.849 30.300 -0.878 0.000 0.856 213 R HN -0.035 nan 8.270 nan 0.000 0.433 214 F N 2.126 122.005 119.950 -0.117 0.000 2.567 214 F HA 0.160 4.687 4.527 -0.000 0.000 0.352 214 F C 0.959 176.717 175.800 -0.070 0.000 1.229 214 F CA -0.150 57.801 58.000 -0.082 0.000 1.228 214 F CB 1.145 40.097 39.000 -0.080 0.000 1.568 214 F HN 0.127 nan 8.300 nan 0.000 0.634 215 T N -2.776 111.832 114.554 0.091 0.000 3.081 215 T HA 0.139 4.489 4.350 -0.000 0.000 0.250 215 T C 0.494 175.248 174.700 0.090 0.000 1.100 215 T CA -0.006 62.126 62.100 0.054 0.000 1.038 215 T CB -0.089 68.784 68.868 0.009 0.000 0.962 215 T HN 0.167 nan 8.240 nan 0.000 0.516 216 N N 1.599 120.379 118.700 0.133 0.000 2.524 216 N HA 0.492 5.232 4.740 -0.000 0.000 0.261 216 N C -1.351 174.237 175.510 0.130 0.000 0.998 216 N CA -0.362 52.763 53.050 0.126 0.000 0.915 216 N CB 1.799 40.359 38.487 0.122 0.000 1.187 216 N HN 0.373 nan 8.380 nan 0.000 0.507 217 I N 2.286 122.920 120.570 0.107 0.000 2.441 217 I HA 0.450 4.620 4.170 -0.000 0.000 0.295 217 I C -0.780 175.380 176.117 0.071 0.000 0.994 217 I CA -0.837 60.515 61.300 0.086 0.000 1.144 217 I CB 1.498 39.559 38.000 0.101 0.000 1.314 217 I HN 0.089 nan 8.210 nan 0.000 0.445 218 L N 6.917 128.173 121.223 0.055 0.000 2.409 218 L HA 0.583 4.923 4.340 -0.000 0.000 0.272 218 L C -0.695 176.197 176.870 0.037 0.000 0.980 218 L CA -0.540 54.320 54.840 0.033 0.000 0.826 218 L CB 2.003 44.082 42.059 0.034 0.000 1.268 218 L HN 0.209 nan 8.230 nan 0.000 0.407 219 V N 1.320 121.260 119.914 0.043 0.000 2.487 219 V HA 0.498 4.618 4.120 -0.000 0.000 0.298 219 V C -0.588 175.567 176.094 0.101 0.000 1.028 219 V CA -0.611 61.754 62.300 0.107 0.000 0.860 219 V CB 1.805 33.805 31.823 0.295 0.000 0.991 219 V HN 0.648 nan 8.190 nan 0.000 0.427 220 D N 2.593 123.043 120.400 0.082 0.000 2.332 220 D HA 0.266 4.906 4.640 -0.000 0.000 0.252 220 D C 0.377 176.757 176.300 0.133 0.000 1.050 220 D CA -0.128 53.920 54.000 0.079 0.000 0.970 220 D CB 1.195 42.020 40.800 0.041 0.000 1.141 220 D HN 0.640 nan 8.370 nan 0.000 0.485 221 E N 1.474 121.748 120.200 0.123 0.000 2.199 221 E HA -0.280 4.070 4.350 -0.000 0.000 0.208 221 E C 0.800 177.503 176.600 0.172 0.000 1.310 221 E CA 0.134 56.620 56.400 0.144 0.000 0.709 221 E CB -1.736 28.055 29.700 0.150 0.000 1.127 221 E HN 0.501 nan 8.360 nan 0.000 0.354 222 F N 1.968 121.945 119.950 0.045 0.000 2.192 222 F HA -0.255 4.272 4.527 0.000 0.000 0.301 222 F C 2.557 178.376 175.800 0.032 0.000 1.079 222 F CA 2.253 60.277 58.000 0.039 0.000 1.303 222 F CB 0.146 39.114 39.000 -0.054 0.000 1.024 222 F HN 0.224 nan 8.300 nan 0.000 0.494 223 Q N -0.289 119.542 119.800 0.052 0.000 2.561 223 Q HA -0.164 4.176 4.340 -0.000 0.000 0.217 223 Q C 0.549 176.482 176.000 -0.112 0.000 0.980 223 Q CA 1.361 57.142 55.803 -0.037 0.000 0.927 223 Q CB -0.844 27.927 28.738 0.055 0.000 0.980 223 Q HN 0.404 nan 8.270 nan 0.000 0.525 224 D N 1.625 121.948 120.400 -0.128 0.000 2.354 224 D HA -0.012 4.628 4.640 -0.000 0.000 0.209 224 D C 0.218 176.214 176.300 -0.507 0.000 1.015 224 D CA 0.848 54.728 54.000 -0.201 0.000 0.867 224 D CB 0.110 40.859 40.800 -0.086 0.000 0.933 224 D HN 0.457 nan 8.370 nan 0.000 0.520 225 T N 0.339 114.566 114.554 -0.545 0.000 2.853 225 T HA 0.137 4.487 4.350 -0.000 0.000 0.298 225 T C 0.470 174.838 174.700 -0.552 0.000 0.978 225 T CA -0.730 60.964 62.100 -0.676 0.000 1.152 225 T CB 0.504 68.906 68.868 -0.776 0.000 0.914 225 T HN 0.197 nan 8.240 nan 0.000 0.539 226 N N 3.029 121.396 118.700 -0.554 0.000 2.476 226 N HA 0.211 4.951 4.740 -0.000 0.000 0.287 226 N C 0.843 176.189 175.510 -0.274 0.000 1.262 226 N CA -1.111 51.697 53.050 -0.403 0.000 0.980 226 N CB 0.852 39.086 38.487 -0.422 0.000 1.163 226 N HN 0.640 nan 8.380 nan 0.000 0.592 227 N N -0.650 117.935 118.700 -0.192 0.000 2.166 227 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 227 N C 1.575 177.046 175.510 -0.066 0.000 1.019 227 N CA 0.682 53.682 53.050 -0.083 0.000 0.856 227 N CB -0.174 38.271 38.487 -0.069 0.000 0.993 227 N HN 0.462 nan 8.380 nan 0.000 0.426 228 I N 1.770 122.243 120.570 -0.160 0.000 2.315 228 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 228 I C 1.941 177.933 176.117 -0.208 0.000 1.117 228 I CA 1.413 62.593 61.300 -0.200 0.000 1.404 228 I CB -0.173 37.702 38.000 -0.209 0.000 1.071 228 I HN 0.117 nan 8.210 nan 0.000 0.419 229 Q N -1.147 118.470 119.800 -0.305 0.000 2.119 229 Q HA -0.240 4.100 4.340 -0.000 0.000 0.201 229 Q C 2.152 178.133 176.000 -0.033 0.000 0.972 229 Q CA 1.878 57.440 55.803 -0.402 0.000 0.847 229 Q CB -0.467 27.613 28.738 -1.097 0.000 0.903 229 Q HN 0.631 nan 8.270 nan 0.000 0.433 230 Y N 1.241 121.472 120.300 -0.115 0.000 2.114 230 Y HA -0.251 4.299 4.550 -0.000 0.000 0.284 230 Y C 2.278 178.316 175.900 0.229 0.000 1.143 230 Y CA 1.430 59.598 58.100 0.114 0.000 1.135 230 Y CB -0.575 37.934 38.460 0.081 0.000 0.980 230 Y HN 0.072 nan 8.280 nan 0.000 0.499 231 A N -0.033 122.843 122.820 0.092 0.000 1.873 231 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 231 A C 2.144 179.791 177.584 0.105 0.000 1.193 231 A CA 1.906 53.945 52.037 0.003 0.000 0.629 231 A CB -1.886 17.028 19.000 -0.144 0.000 0.826 231 A HN 0.822 nan 8.150 nan 0.000 0.447 232 W N 0.566 121.820 121.300 -0.075 0.000 2.304 232 W HA -0.254 4.406 4.660 0.000 0.000 0.315 232 W C 1.909 178.648 176.519 0.367 0.000 1.233 232 W CA 2.365 59.861 57.345 0.253 0.000 1.261 232 W CB -0.375 29.171 29.460 0.142 0.000 1.150 232 W HN 0.344 nan 8.180 nan 0.000 0.494 233 I N -0.175 120.642 120.570 0.411 0.000 2.202 233 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 233 I C 2.722 178.937 176.117 0.164 0.000 1.091 233 I CA 1.780 63.252 61.300 0.288 0.000 1.368 233 I CB -0.793 37.496 38.000 0.482 0.000 1.058 233 I HN -0.051 nan 8.210 nan 0.000 0.410 234 R N 1.169 121.716 120.500 0.077 0.000 2.103 234 R HA -0.219 4.121 4.340 -0.000 0.000 0.242 234 R C 2.409 178.583 176.300 -0.210 0.000 1.142 234 R CA 1.637 57.613 56.100 -0.207 0.000 0.960 234 R CB -0.321 29.733 30.300 -0.411 0.000 0.858 234 R HN 0.354 nan 8.270 nan 0.000 0.439 235 L N 0.560 121.744 121.223 -0.065 0.000 2.056 235 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 235 L C 2.337 179.062 176.870 -0.242 0.000 1.078 235 L CA 1.054 55.854 54.840 -0.067 0.000 0.749 235 L CB -0.198 41.957 42.059 0.160 0.000 0.901 235 L HN 0.357 nan 8.230 nan 0.000 0.433 236 L N -0.502 120.521 121.223 -0.334 0.000 2.046 236 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 236 L C 2.592 179.287 176.870 -0.292 0.000 1.077 236 L CA 1.560 56.071 54.840 -0.548 0.000 0.747 236 L CB -0.381 41.340 42.059 -0.564 0.000 0.896 236 L HN 0.376 nan 8.230 nan 0.000 0.432 237 A N -0.607 122.125 122.820 -0.147 0.000 1.968 237 A HA 0.111 4.431 4.320 -0.000 0.000 0.217 237 A C 1.666 179.170 177.584 -0.133 0.000 1.169 237 A CA 1.173 53.173 52.037 -0.061 0.000 0.638 237 A CB -0.850 18.218 19.000 0.114 0.000 0.812 237 A HN 0.603 nan 8.150 nan 0.000 0.446 238 G N -0.291 108.386 108.800 -0.204 0.000 2.652 238 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.318 238 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.318 238 G C 0.188 174.977 174.900 -0.184 0.000 1.295 238 G CA 0.968 45.950 45.100 -0.197 0.000 0.999 238 G HN 0.445 nan 8.290 nan 0.000 0.548 239 D N 0.146 120.467 120.400 -0.131 0.000 2.431 239 D HA 0.353 4.993 4.640 -0.000 0.000 0.213 239 D C 2.029 178.289 176.300 -0.067 0.000 1.130 239 D CA 1.212 55.150 54.000 -0.102 0.000 0.834 239 D CB 0.503 41.250 40.800 -0.089 0.000 0.985 239 D HN 0.600 nan 8.370 nan 0.000 0.504 240 T N -3.541 110.974 114.554 -0.065 0.000 2.987 240 T HA 0.218 4.568 4.350 -0.000 0.000 0.248 240 T C 1.405 176.094 174.700 -0.019 0.000 0.997 240 T CA -0.183 61.891 62.100 -0.044 0.000 1.013 240 T CB 0.008 68.841 68.868 -0.058 0.000 1.077 240 T HN 0.019 nan 8.240 nan 0.000 0.483 241 G N 2.261 111.051 108.800 -0.016 0.000 2.442 241 G HA2 0.490 4.450 3.960 -0.000 0.000 0.249 241 G HA3 0.490 4.450 3.960 -0.000 0.000 0.249 241 G C -0.623 174.326 174.900 0.083 0.000 1.263 241 G CA -0.526 44.591 45.100 0.028 0.000 0.846 241 G HN 0.132 nan 8.290 nan 0.000 0.555 242 K N 1.060 121.517 120.400 0.095 0.000 2.185 242 K HA 0.494 4.814 4.320 -0.000 0.000 0.269 242 K C -0.522 176.165 176.600 0.144 0.000 0.987 242 K CA -0.561 55.799 56.287 0.121 0.000 0.865 242 K CB 2.012 34.567 32.500 0.092 0.000 1.090 242 K HN 0.213 nan 8.250 nan 0.000 0.450 243 V N 3.239 123.266 119.914 0.188 0.000 2.680 243 V HA 0.501 4.621 4.120 -0.000 0.000 0.309 243 V C -0.248 175.893 176.094 0.078 0.000 1.052 243 V CA -1.006 61.385 62.300 0.152 0.000 0.908 243 V CB 2.064 34.015 31.823 0.214 0.000 1.001 243 V HN 0.763 nan 8.190 nan 0.000 0.431 244 M N 6.544 126.136 119.600 -0.013 0.000 2.190 244 M HA 0.714 5.194 4.480 -0.000 0.000 0.312 244 M C -1.311 174.863 176.300 -0.210 0.000 0.990 244 M CA -0.588 54.658 55.300 -0.091 0.000 0.927 244 M CB 1.314 33.891 32.600 -0.038 0.000 1.571 244 M HN 0.802 nan 8.290 nan 0.000 0.427 245 I N 4.323 124.636 120.570 -0.428 0.000 2.509 245 I HA 0.830 5.000 4.170 -0.000 0.000 0.293 245 I C -1.052 174.877 176.117 -0.313 0.000 1.020 245 I CA -0.993 60.025 61.300 -0.469 0.000 1.088 245 I CB 1.876 39.205 38.000 -1.118 0.000 1.267 245 I HN 0.565 nan 8.210 nan 0.000 0.430 246 V N 2.444 122.285 119.914 -0.121 0.000 2.823 246 V HA 1.114 5.234 4.120 -0.000 0.000 0.312 246 V C -0.063 176.047 176.094 0.026 0.000 1.072 246 V CA 0.222 62.485 62.300 -0.062 0.000 0.937 246 V CB 1.015 32.818 31.823 -0.034 0.000 1.013 246 V HN 1.337 nan 8.190 nan 0.000 0.430 247 G N 1.989 110.806 108.800 0.027 0.000 2.340 247 G HA2 0.528 4.488 3.960 -0.000 0.000 0.299 247 G HA3 0.528 4.488 3.960 -0.000 0.000 0.299 247 G C -2.317 172.619 174.900 0.060 0.000 1.291 247 G CA 0.094 45.241 45.100 0.078 0.000 0.841 247 G HN 1.252 nan 8.290 nan 0.000 0.500 248 D N -0.747 119.700 120.400 0.077 0.000 2.764 248 D HA 0.274 4.914 4.640 -0.000 0.000 0.227 248 D C 0.692 177.029 176.300 0.062 0.000 1.347 248 D CA -0.180 53.860 54.000 0.066 0.000 0.953 248 D CB 1.334 42.187 40.800 0.088 0.000 1.476 248 D HN 0.338 nan 8.370 nan 0.000 0.585 249 D N 2.066 122.488 120.400 0.037 0.000 2.310 249 D HA -0.158 4.482 4.640 -0.000 0.000 0.212 249 D C 0.390 176.685 176.300 -0.008 0.000 0.965 249 D CA 0.250 54.263 54.000 0.021 0.000 0.879 249 D CB 0.317 41.124 40.800 0.011 0.000 0.921 249 D HN 0.353 nan 8.370 nan 0.000 0.510 250 D N 0.602 120.983 120.400 -0.032 0.000 2.363 250 D HA -0.026 4.614 4.640 -0.000 0.000 0.226 250 D C 0.871 177.172 176.300 0.002 0.000 1.020 250 D CA 0.417 54.343 54.000 -0.122 0.000 0.892 250 D CB 0.178 40.766 40.800 -0.353 0.000 0.900 250 D HN 0.438 nan 8.370 nan 0.000 0.531 251 Q N -0.265 119.584 119.800 0.082 0.000 2.165 251 Q HA 0.122 4.462 4.340 -0.000 0.000 0.245 251 Q C -0.081 175.954 176.000 0.058 0.000 0.841 251 Q CA -0.159 55.713 55.803 0.114 0.000 1.078 251 Q CB 1.100 29.922 28.738 0.141 0.000 1.169 251 Q HN -0.118 nan 8.270 nan 0.000 0.475 252 S N 1.612 117.331 115.700 0.032 0.000 2.422 252 S HA 0.259 4.729 4.470 -0.000 0.000 0.283 252 S C 0.610 175.210 174.600 -0.001 0.000 1.163 252 S CA -0.391 57.822 58.200 0.021 0.000 1.054 252 S CB -0.077 63.127 63.200 0.006 0.000 0.967 252 S HN 0.516 nan 8.310 nan 0.000 0.499 253 I N 1.975 122.521 120.570 -0.040 0.000 3.994 253 I HA 0.377 4.547 4.170 -0.000 0.000 0.323 253 I C -0.753 175.286 176.117 -0.130 0.000 1.501 253 I CA -0.479 60.769 61.300 -0.087 0.000 1.112 253 I CB -0.006 37.839 38.000 -0.259 0.000 1.254 253 I HN 0.519 nan 8.210 nan 0.000 0.495 254 Y N 1.544 121.819 120.300 -0.042 0.000 2.720 254 Y HA 0.478 5.028 4.550 -0.000 0.000 0.268 254 Y C 2.167 177.703 175.900 -0.607 0.000 1.142 254 Y CA -0.225 57.564 58.100 -0.518 0.000 1.193 254 Y CB 1.168 39.265 38.460 -0.605 0.000 1.176 254 Y HN 0.228 nan 8.280 nan 0.000 0.542 255 G N 1.221 109.940 108.800 -0.136 0.000 2.469 255 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 255 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 255 G C 1.386 176.225 174.900 -0.101 0.000 1.136 255 G CA 1.036 46.085 45.100 -0.085 0.000 0.759 255 G HN 0.739 nan 8.290 nan 0.000 0.562 256 W N 1.569 122.839 121.300 -0.050 0.000 2.538 256 W HA 0.037 4.697 4.660 -0.000 0.000 0.254 256 W C 1.298 177.734 176.519 -0.139 0.000 1.249 256 W CA 0.645 57.925 57.345 -0.108 0.000 1.253 256 W CB -0.494 28.887 29.460 -0.133 0.000 1.130 256 W HN 0.404 nan 8.180 nan 0.000 0.618 257 R N -0.015 120.122 120.500 -0.606 0.000 2.659 257 R HA 0.508 4.848 4.340 -0.000 0.000 0.418 257 R C 1.141 177.180 176.300 -0.436 0.000 1.076 257 R CA 0.177 55.942 56.100 -0.559 0.000 1.093 257 R CB -0.103 29.662 30.300 -0.892 0.000 1.400 257 R HN -0.005 nan 8.270 nan 0.000 0.583 258 G N 0.207 108.816 108.800 -0.318 0.000 2.217 258 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.246 258 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.246 258 G C 0.389 175.128 174.900 -0.269 0.000 0.990 258 G CA -0.157 44.787 45.100 -0.261 0.000 0.627 258 G HN 0.657 nan 8.290 nan 0.000 0.522 259 A N 0.807 123.432 122.820 -0.326 0.000 2.444 259 A HA 0.609 4.929 4.320 -0.000 0.000 0.273 259 A C 0.463 177.935 177.584 -0.187 0.000 1.136 259 A CA 0.565 52.428 52.037 -0.290 0.000 0.799 259 A CB 0.085 18.899 19.000 -0.310 0.000 1.081 259 A HN 0.573 nan 8.150 nan 0.000 0.509 260 Q N 2.097 121.797 119.800 -0.168 0.000 2.345 260 Q HA 0.384 4.724 4.340 -0.000 0.000 0.268 260 Q C 0.659 176.609 176.000 -0.084 0.000 1.054 260 Q CA -0.996 54.742 55.803 -0.109 0.000 0.835 260 Q CB 1.934 30.613 28.738 -0.099 0.000 1.339 260 Q HN 0.399 nan 8.270 nan 0.000 0.447 261 V N 1.627 121.514 119.914 -0.046 0.000 2.392 261 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 261 V C 1.439 177.531 176.094 -0.003 0.000 1.059 261 V CA 2.001 64.293 62.300 -0.014 0.000 1.051 261 V CB -0.389 31.430 31.823 -0.007 0.000 0.658 261 V HN 0.757 nan 8.190 nan 0.000 0.455 262 E N 0.481 120.666 120.200 -0.024 0.000 2.233 262 E HA -0.223 4.127 4.350 -0.000 0.000 0.199 262 E C 1.950 178.532 176.600 -0.030 0.000 1.004 262 E CA 1.200 57.586 56.400 -0.023 0.000 0.819 262 E CB -0.518 29.158 29.700 -0.040 0.000 0.738 262 E HN 0.581 nan 8.360 nan 0.000 0.478 263 N N -0.086 118.580 118.700 -0.057 0.000 2.149 263 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 263 N C 1.548 177.188 175.510 0.218 0.000 1.019 263 N CA 0.863 53.871 53.050 -0.070 0.000 0.857 263 N CB -0.122 38.284 38.487 -0.135 0.000 0.997 263 N HN 0.245 nan 8.380 nan 0.000 0.426 264 I N 0.111 120.830 120.570 0.248 0.000 2.179 264 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 264 I C 2.342 178.555 176.117 0.159 0.000 1.088 264 I CA 1.077 62.509 61.300 0.221 0.000 1.357 264 I CB -0.196 37.890 38.000 0.143 0.000 1.051 264 I HN 0.138 nan 8.210 nan 0.000 0.409 265 Q N 1.338 121.203 119.800 0.108 0.000 2.119 265 Q HA -0.167 4.173 4.340 -0.000 0.000 0.201 265 Q C 2.186 178.253 176.000 0.111 0.000 0.972 265 Q CA 1.617 57.475 55.803 0.090 0.000 0.847 265 Q CB -0.147 28.621 28.738 0.051 0.000 0.903 265 Q HN 0.296 nan 8.270 nan 0.000 0.433 266 R N -0.897 119.657 120.500 0.090 0.000 2.091 266 R HA -0.161 4.178 4.340 -0.000 0.000 0.238 266 R C 2.156 178.643 176.300 0.311 0.000 1.136 266 R CA 1.500 57.663 56.100 0.104 0.000 0.959 266 R CB -0.633 29.585 30.300 -0.138 0.000 0.856 266 R HN 0.343 nan 8.270 nan 0.000 0.437 267 F N 1.550 121.634 119.950 0.223 0.000 2.126 267 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 267 F C 1.818 177.718 175.800 0.168 0.000 1.096 267 F CA 1.460 59.601 58.000 0.235 0.000 1.255 267 F CB -0.185 38.679 39.000 -0.226 0.000 0.997 267 F HN -0.093 nan 8.300 nan 0.000 0.479 268 L N 0.174 121.451 121.223 0.090 0.000 2.201 268 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 268 L C 1.956 178.811 176.870 -0.024 0.000 1.105 268 L CA 0.880 55.706 54.840 -0.025 0.000 0.775 268 L CB -0.749 41.352 42.059 0.070 0.000 0.913 268 L HN 0.224 nan 8.230 nan 0.000 0.440 269 N N -0.321 118.407 118.700 0.047 0.000 2.251 269 N HA -0.101 4.639 4.740 -0.000 0.000 0.181 269 N C 1.319 176.857 175.510 0.046 0.000 1.019 269 N CA 1.075 54.153 53.050 0.046 0.000 0.862 269 N CB -0.129 38.397 38.487 0.066 0.000 0.992 269 N HN 0.301 nan 8.380 nan 0.000 0.429 270 D N 0.350 120.820 120.400 0.115 0.000 2.144 270 D HA -0.002 4.638 4.640 -0.000 0.000 0.207 270 D C 0.198 176.464 176.300 -0.056 0.000 0.970 270 D CA 0.400 54.440 54.000 0.067 0.000 0.853 270 D CB -0.467 40.430 40.800 0.161 0.000 1.007 270 D HN 0.078 nan 8.370 nan 0.000 0.469 271 F N 1.750 121.529 119.950 -0.285 0.000 2.543 271 F HA 0.210 4.736 4.527 -0.000 0.000 0.375 271 F C -1.771 173.865 175.800 -0.273 0.000 1.075 271 F CA -2.239 55.550 58.000 -0.352 0.000 1.225 271 F CB -0.151 38.420 39.000 -0.715 0.000 1.099 271 F HN -0.266 nan 8.300 nan 0.000 0.561 272 P HA 0.103 nan 4.420 nan 0.000 0.260 272 P C 0.709 177.995 177.300 -0.022 0.000 1.185 272 P CA 0.990 64.066 63.100 -0.040 0.000 0.763 272 P CB 0.390 32.064 31.700 -0.043 0.000 0.776 273 G N 2.773 111.557 108.800 -0.026 0.000 2.168 273 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.263 273 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.263 273 G C 0.505 175.393 174.900 -0.020 0.000 0.977 273 G CA -0.046 45.045 45.100 -0.014 0.000 0.659 273 G HN 0.855 nan 8.290 nan 0.000 0.533 274 A N -0.108 122.672 122.820 -0.068 0.000 2.584 274 A HA 0.450 4.770 4.320 -0.000 0.000 0.239 274 A C 0.616 178.194 177.584 -0.011 0.000 1.043 274 A CA 1.050 53.026 52.037 -0.102 0.000 0.756 274 A CB 0.182 18.990 19.000 -0.319 0.000 0.963 274 A HN 0.519 nan 8.150 nan 0.000 0.511 275 E N 1.222 121.450 120.200 0.047 0.000 2.367 275 E HA 0.474 4.824 4.350 -0.000 0.000 0.273 275 E C -1.050 175.587 176.600 0.062 0.000 0.903 275 E CA -0.662 55.764 56.400 0.044 0.000 0.764 275 E CB 2.183 31.900 29.700 0.029 0.000 1.252 275 E HN 0.577 nan 8.360 nan 0.000 0.446 276 T N 1.851 116.429 114.554 0.041 0.000 2.824 276 T HA 0.593 4.943 4.350 -0.000 0.000 0.280 276 T C -0.186 174.522 174.700 0.012 0.000 0.995 276 T CA -0.501 61.617 62.100 0.029 0.000 1.009 276 T CB 0.787 69.672 68.868 0.028 0.000 0.955 276 T HN 0.380 nan 8.240 nan 0.000 0.452 277 I N 2.537 123.107 120.570 -0.000 0.000 2.499 277 I HA 0.544 4.714 4.170 -0.000 0.000 0.288 277 I C -0.891 175.221 176.117 -0.008 0.000 1.048 277 I CA -0.927 60.370 61.300 -0.006 0.000 1.062 277 I CB 1.300 39.290 38.000 -0.018 0.000 1.238 277 I HN 0.485 nan 8.210 nan 0.000 0.426 278 R N 7.198 127.699 120.500 0.001 0.000 2.460 278 R HA 0.670 5.010 4.340 -0.000 0.000 0.303 278 R C -1.195 175.110 176.300 0.008 0.000 0.968 278 R CA -0.712 55.391 56.100 0.005 0.000 0.889 278 R CB 1.823 32.133 30.300 0.016 0.000 1.123 278 R HN 0.558 nan 8.270 nan 0.000 0.455 279 L N 1.642 122.866 121.223 0.001 0.000 2.352 279 L HA 0.406 4.746 4.340 -0.000 0.000 0.269 279 L C 0.789 177.654 176.870 -0.008 0.000 1.034 279 L CA -0.346 54.492 54.840 -0.004 0.000 0.806 279 L CB 1.548 43.596 42.059 -0.018 0.000 1.244 279 L HN 0.751 nan 8.230 nan 0.000 0.447 280 E N -0.505 119.676 120.200 -0.032 0.000 2.555 280 E HA 0.030 4.380 4.350 -0.000 0.000 0.209 280 E C -0.093 176.273 176.600 -0.389 0.000 0.847 280 E CA -0.154 56.216 56.400 -0.050 0.000 1.438 280 E CB 1.043 30.849 29.700 0.177 0.000 1.420 280 E HN 0.548 nan 8.360 nan 0.000 0.755 281 Q N 2.163 121.622 119.800 -0.569 0.000 2.286 281 Q HA 0.120 4.460 4.340 -0.000 0.000 0.257 281 Q C -0.568 174.947 176.000 -0.809 0.000 0.941 281 Q CA -0.291 54.820 55.803 -1.153 0.000 0.912 281 Q CB 0.756 28.805 28.738 -1.148 0.000 1.192 281 Q HN -0.046 nan 8.270 nan 0.000 0.410 282 N N 3.654 121.861 118.700 -0.821 0.000 2.438 282 N HA 0.097 4.837 4.740 -0.000 0.000 0.282 282 N C -1.025 174.157 175.510 -0.547 0.000 1.037 282 N CA 0.006 52.774 53.050 -0.470 0.000 0.942 282 N CB 0.642 38.955 38.487 -0.291 0.000 1.136 282 N HN 0.688 nan 8.380 nan 0.000 0.481 283 Y N 1.898 122.091 120.300 -0.179 0.000 2.481 283 Y HA 0.280 4.830 4.550 -0.000 0.000 0.247 283 Y C 2.148 177.990 175.900 -0.096 0.000 1.151 283 Y CA -0.344 57.676 58.100 -0.133 0.000 1.238 283 Y CB 0.458 38.846 38.460 -0.121 0.000 1.179 283 Y HN 0.537 nan 8.280 nan 0.000 0.524 284 R N 0.030 120.542 120.500 0.021 0.000 2.075 284 R HA 0.140 4.480 4.340 -0.000 0.000 0.220 284 R C 0.217 176.502 176.300 -0.025 0.000 1.118 284 R CA 0.862 56.957 56.100 -0.008 0.000 0.986 284 R CB 0.170 30.446 30.300 -0.040 0.000 0.884 284 R HN 0.057 nan 8.270 nan 0.000 0.439 285 S N 0.029 115.701 115.700 -0.046 0.000 2.718 285 S HA 0.252 4.722 4.470 -0.000 0.000 0.300 285 S C -0.307 174.275 174.600 -0.031 0.000 1.117 285 S CA -0.633 57.542 58.200 -0.042 0.000 1.002 285 S CB 1.835 65.000 63.200 -0.057 0.000 1.092 285 S HN 0.433 nan 8.310 nan 0.000 0.542 286 T N -1.117 113.426 114.554 -0.018 0.000 2.766 286 T HA 0.221 4.571 4.350 -0.000 0.000 0.295 286 T C 1.340 176.038 174.700 -0.003 0.000 1.024 286 T CA -0.174 61.923 62.100 -0.004 0.000 1.018 286 T CB 0.679 69.549 68.868 0.003 0.000 1.002 286 T HN 0.403 nan 8.240 nan 0.000 0.532 287 S N 0.292 115.999 115.700 0.011 0.000 2.368 287 S HA -0.153 4.317 4.470 -0.000 0.000 0.225 287 S C 1.978 176.589 174.600 0.018 0.000 1.030 287 S CA 1.577 59.789 58.200 0.021 0.000 0.999 287 S CB -0.951 62.270 63.200 0.033 0.000 0.844 287 S HN 0.779 nan 8.310 nan 0.000 0.459 288 N N 0.346 119.055 118.700 0.015 0.000 2.036 288 N HA -0.084 4.656 4.740 -0.000 0.000 0.195 288 N C 1.719 177.233 175.510 0.007 0.000 1.037 288 N CA 1.841 54.899 53.050 0.014 0.000 0.855 288 N CB -0.238 38.257 38.487 0.013 0.000 1.033 288 N HN 0.383 nan 8.380 nan 0.000 0.423 289 I N 0.244 120.811 120.570 -0.005 0.000 2.286 289 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 289 I C 2.054 178.162 176.117 -0.015 0.000 1.115 289 I CA 0.566 61.855 61.300 -0.018 0.000 1.392 289 I CB -0.035 37.943 38.000 -0.037 0.000 1.065 289 I HN 0.215 nan 8.210 nan 0.000 0.418 290 L N 0.524 121.741 121.223 -0.009 0.000 2.093 290 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 290 L C 2.729 179.617 176.870 0.031 0.000 1.085 290 L CA 2.128 56.969 54.840 0.001 0.000 0.755 290 L CB -0.615 41.442 42.059 -0.002 0.000 0.904 290 L HN 0.337 nan 8.230 nan 0.000 0.435 291 S N -1.195 114.523 115.700 0.031 0.000 2.414 291 S HA -0.000 4.470 4.470 -0.000 0.000 0.227 291 S C 2.081 176.703 174.600 0.037 0.000 1.022 291 S CA 0.568 58.791 58.200 0.038 0.000 0.958 291 S CB -0.689 62.531 63.200 0.033 0.000 0.797 291 S HN 0.411 nan 8.310 nan 0.000 0.493 292 A N 2.231 125.069 122.820 0.030 0.000 1.898 292 A HA 0.370 4.690 4.320 -0.000 0.000 0.216 292 A C 2.543 180.154 177.584 0.045 0.000 1.181 292 A CA 1.548 53.603 52.037 0.030 0.000 0.620 292 A CB -1.489 17.524 19.000 0.022 0.000 0.819 292 A HN 0.815 nan 8.150 nan 0.000 0.442 293 A N 0.415 123.266 122.820 0.052 0.000 1.908 293 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 293 A C 1.961 179.657 177.584 0.187 0.000 1.181 293 A CA 1.902 54.009 52.037 0.117 0.000 0.627 293 A CB -0.652 18.381 19.000 0.055 0.000 0.818 293 A HN 0.549 nan 8.150 nan 0.000 0.445 294 N N 0.304 119.078 118.700 0.122 0.000 2.142 294 N HA -0.089 4.651 4.740 -0.000 0.000 0.186 294 N C 1.929 177.458 175.510 0.032 0.000 1.023 294 N CA 1.572 54.669 53.050 0.079 0.000 0.852 294 N CB -0.611 37.914 38.487 0.063 0.000 0.998 294 N HN 0.462 nan 8.380 nan 0.000 0.424 295 A N 1.089 123.928 122.820 0.032 0.000 1.933 295 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 295 A C 2.244 179.832 177.584 0.006 0.000 1.175 295 A CA 0.949 52.996 52.037 0.016 0.000 0.628 295 A CB -0.676 18.336 19.000 0.020 0.000 0.814 295 A HN 0.235 nan 8.150 nan 0.000 0.444 296 L N -0.691 120.542 121.223 0.017 0.000 1.994 296 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 296 L C 2.175 179.013 176.870 -0.053 0.000 1.071 296 L CA 2.069 56.904 54.840 -0.009 0.000 0.745 296 L CB -0.502 41.559 42.059 0.003 0.000 0.892 296 L HN 0.331 nan 8.230 nan 0.000 0.431 297 I N -0.171 120.360 120.570 -0.066 0.000 2.493 297 I HA -0.217 3.953 4.170 -0.000 0.000 0.254 297 I C 2.241 178.272 176.117 -0.142 0.000 1.160 297 I CA 1.236 62.420 61.300 -0.194 0.000 1.445 297 I CB -0.408 37.315 38.000 -0.462 0.000 1.086 297 I HN 0.402 nan 8.210 nan 0.000 0.433 298 E N 0.092 120.242 120.200 -0.084 0.000 2.409 298 E HA -0.147 4.202 4.350 -0.000 0.000 0.198 298 E C 1.338 177.911 176.600 -0.045 0.000 1.024 298 E CA 0.461 56.826 56.400 -0.059 0.000 0.861 298 E CB -0.192 29.488 29.700 -0.033 0.000 0.788 298 E HN 0.561 nan 8.360 nan 0.000 0.521 299 N N 0.998 119.674 118.700 -0.041 0.000 2.515 299 N HA -0.030 4.710 4.740 -0.000 0.000 0.185 299 N C -0.036 175.459 175.510 -0.025 0.000 1.109 299 N CA 0.327 53.364 53.050 -0.021 0.000 0.903 299 N CB 0.131 38.618 38.487 0.000 0.000 0.969 299 N HN 0.079 nan 8.380 nan 0.000 0.450 300 N N 1.466 120.137 118.700 -0.049 0.000 2.479 300 N HA 0.179 4.919 4.740 -0.000 0.000 0.285 300 N C -0.261 175.225 175.510 -0.042 0.000 1.075 300 N CA -0.178 52.844 53.050 -0.047 0.000 0.967 300 N CB 0.733 39.175 38.487 -0.075 0.000 1.137 300 N HN 0.036 nan 8.380 nan 0.000 0.472 301 N N -0.035 118.648 118.700 -0.028 0.000 2.476 301 N HA 0.351 5.091 4.740 -0.000 0.000 0.275 301 N C 1.151 176.645 175.510 -0.026 0.000 1.190 301 N CA 0.123 53.159 53.050 -0.024 0.000 0.977 301 N CB 1.054 39.533 38.487 -0.014 0.000 1.200 301 N HN 0.672 nan 8.380 nan 0.000 0.515 302 G N 0.048 108.835 108.800 -0.022 0.000 2.176 302 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.253 302 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.253 302 G C 0.018 174.902 174.900 -0.026 0.000 0.979 302 G CA -0.139 44.949 45.100 -0.020 0.000 0.641 302 G HN 0.538 nan 8.290 nan 0.000 0.530 303 R N 0.039 120.517 120.500 -0.037 0.000 2.389 303 R HA 0.477 4.817 4.340 -0.000 0.000 0.295 303 R C 1.541 177.822 176.300 -0.033 0.000 1.075 303 R CA -0.375 55.697 56.100 -0.045 0.000 1.005 303 R CB 0.525 30.784 30.300 -0.069 0.000 0.987 303 R HN 0.247 nan 8.270 nan 0.000 0.452 304 L N 1.805 123.012 121.223 -0.028 0.000 2.478 304 L HA 0.017 4.357 4.340 -0.000 0.000 0.223 304 L C 1.497 178.357 176.870 -0.016 0.000 1.140 304 L CA 1.043 55.873 54.840 -0.017 0.000 0.842 304 L CB -0.232 41.821 42.059 -0.010 0.000 0.953 304 L HN 1.126 nan 8.230 nan 0.000 0.452 305 G N -1.037 107.748 108.800 -0.025 0.000 2.475 305 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.198 305 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.198 305 G C 0.600 175.490 174.900 -0.015 0.000 2.226 305 G CA 0.028 45.117 45.100 -0.018 0.000 1.626 305 G HN 0.091 nan 8.290 nan 0.000 0.534 306 K N -0.310 120.089 120.400 -0.001 0.000 10.248 306 K HA -0.377 3.943 4.320 -0.000 0.000 0.479 306 K C 0.680 177.301 176.600 0.035 0.000 0.461 306 K CA 2.525 58.819 56.287 0.012 0.000 1.712 306 K CB -1.169 31.328 32.500 -0.005 0.000 0.800 306 K HN 1.393 nan 8.250 nan 0.000 1.182 307 K N 1.393 121.809 120.400 0.027 0.000 5.778 307 K HA -0.213 4.107 4.320 -0.000 0.000 0.585 307 K C -0.827 175.835 176.600 0.102 0.000 1.547 307 K CA 0.758 57.078 56.287 0.056 0.000 1.421 307 K CB -0.717 31.812 32.500 0.049 0.000 1.834 307 K HN 0.269 nan 8.250 nan 0.000 0.313 308 L N 3.837 125.109 121.223 0.081 0.000 2.439 308 L HA 0.748 5.088 4.340 -0.000 0.000 0.259 308 L C 0.574 177.503 176.870 0.098 0.000 1.129 308 L CA -0.320 54.546 54.840 0.043 0.000 0.803 308 L CB 0.085 42.091 42.059 -0.089 0.000 1.161 308 L HN 0.538 nan 8.230 nan 0.000 0.462 309 W N -1.179 120.090 121.300 -0.052 0.000 3.207 309 W HA 0.837 5.497 4.660 -0.000 0.000 0.326 309 W C -0.952 175.506 176.519 -0.102 0.000 1.190 309 W CA -0.636 56.672 57.345 -0.061 0.000 1.011 309 W CB 1.156 30.582 29.460 -0.056 0.000 1.511 309 W HN 0.744 nan 8.180 nan 0.000 0.606 310 T N -0.488 114.196 114.554 0.216 0.000 2.853 310 T HA 0.168 4.518 4.350 -0.000 0.000 0.311 310 T C -0.424 174.435 174.700 0.265 0.000 1.307 310 T CA -0.359 61.734 62.100 -0.012 0.000 1.019 310 T CB 1.868 70.686 68.868 -0.084 0.000 1.264 310 T HN 0.388 nan 8.240 nan 0.000 0.497 311 D N 1.202 121.687 120.400 0.140 0.000 2.346 311 D HA 0.185 4.825 4.640 -0.000 0.000 0.206 311 D C 1.239 177.590 176.300 0.085 0.000 1.001 311 D CA 0.260 54.363 54.000 0.172 0.000 0.871 311 D CB 0.063 40.958 40.800 0.159 0.000 0.943 311 D HN 0.712 nan 8.370 nan 0.000 0.518 312 G N 0.815 109.641 108.800 0.043 0.000 2.630 312 G HA2 0.314 4.274 3.960 -0.000 0.000 0.236 312 G HA3 0.314 4.274 3.960 -0.000 0.000 0.236 312 G C 0.340 175.263 174.900 0.038 0.000 1.248 312 G CA 0.035 45.155 45.100 0.033 0.000 0.844 312 G HN 0.175 nan 8.290 nan 0.000 0.588 313 A N 0.535 123.376 122.820 0.034 0.000 2.310 313 A HA 0.320 4.640 4.320 -0.000 0.000 0.260 313 A C 1.433 179.034 177.584 0.029 0.000 1.112 313 A CA 0.152 52.209 52.037 0.032 0.000 0.804 313 A CB 0.253 19.272 19.000 0.031 0.000 1.081 313 A HN 0.644 nan 8.150 nan 0.000 0.499 314 D N -0.038 120.378 120.400 0.027 0.000 2.144 314 D HA 0.155 4.795 4.640 -0.000 0.000 0.199 314 D C 1.322 177.635 176.300 0.023 0.000 0.984 314 D CA 1.828 55.843 54.000 0.025 0.000 0.834 314 D CB -0.523 40.292 40.800 0.025 0.000 0.955 314 D HN 1.143 nan 8.370 nan 0.000 0.465 315 G N 1.130 109.946 108.800 0.026 0.000 2.804 315 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.230 315 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.230 315 G C -0.264 174.652 174.900 0.027 0.000 1.386 315 G CA -0.482 44.635 45.100 0.028 0.000 0.875 315 G HN 0.080 nan 8.290 nan 0.000 0.557 316 E N 1.426 121.643 120.200 0.029 0.000 2.436 316 E HA 0.197 4.547 4.350 -0.000 0.000 0.262 316 E C -1.397 175.216 176.600 0.021 0.000 1.063 316 E CA -0.264 56.153 56.400 0.029 0.000 0.944 316 E CB 0.342 30.061 29.700 0.031 0.000 0.950 316 E HN 0.458 nan 8.360 nan 0.000 0.444 317 P HA 0.242 nan 4.420 nan 0.000 0.277 317 P C 0.013 177.327 177.300 0.023 0.000 1.271 317 P CA -0.382 62.735 63.100 0.028 0.000 0.795 317 P CB 0.684 32.406 31.700 0.038 0.000 1.101 318 I N 0.595 121.180 120.570 0.025 0.000 2.379 318 I HA 0.072 4.242 4.170 -0.000 0.000 0.290 318 I C 0.813 176.963 176.117 0.055 0.000 1.063 318 I CA 0.034 61.349 61.300 0.024 0.000 1.351 318 I CB 0.295 38.311 38.000 0.027 0.000 1.410 318 I HN 0.179 nan 8.210 nan 0.000 0.505 319 S N 6.764 122.504 115.700 0.067 0.000 2.565 319 S HA 0.411 4.881 4.470 -0.000 0.000 0.276 319 S C -0.397 174.295 174.600 0.153 0.000 1.326 319 S CA -0.404 57.871 58.200 0.125 0.000 1.045 319 S CB 1.068 64.374 63.200 0.176 0.000 0.918 319 S HN 0.361 nan 8.310 nan 0.000 0.505 320 L N 4.277 125.596 121.223 0.160 0.000 2.376 320 L HA 0.591 4.931 4.340 -0.000 0.000 0.275 320 L C -1.580 175.371 176.870 0.134 0.000 0.987 320 L CA -0.574 54.370 54.840 0.174 0.000 0.828 320 L CB 1.203 43.366 42.059 0.173 0.000 1.249 320 L HN 0.665 nan 8.230 nan 0.000 0.409 321 Y N 5.077 125.293 120.300 -0.141 0.000 2.350 321 Y HA 0.508 5.058 4.550 -0.000 0.000 0.338 321 Y C -0.755 174.751 175.900 -0.656 0.000 0.961 321 Y CA -0.981 56.840 58.100 -0.465 0.000 1.100 321 Y CB 1.564 39.382 38.460 -1.070 0.000 1.179 321 Y HN 0.829 nan 8.280 nan 0.000 0.454 322 C N 7.305 125.792 119.300 -1.356 0.000 2.239 322 C HA 0.906 5.366 4.460 -0.000 0.000 0.325 322 C C 0.237 174.347 174.990 -1.466 0.000 1.231 322 C CA -0.276 57.825 59.018 -1.529 0.000 1.652 322 C CB -1.882 25.301 27.740 -0.929 0.000 2.284 322 C HN 0.976 nan 8.230 nan 0.000 0.499 323 A N 4.950 127.122 122.820 -1.080 0.000 2.286 323 A HA 0.611 4.931 4.320 -0.000 0.000 0.286 323 A C 0.450 177.841 177.584 -0.321 0.000 1.097 323 A CA -0.543 51.117 52.037 -0.628 0.000 0.821 323 A CB 0.274 19.103 19.000 -0.285 0.000 1.076 323 A HN 1.259 nan 8.150 nan 0.000 0.490 324 F N 0.357 120.211 119.950 -0.161 0.000 2.512 324 F HA 0.197 4.724 4.527 -0.000 0.000 0.296 324 F C 0.413 176.166 175.800 -0.080 0.000 1.110 324 F CA 0.125 58.063 58.000 -0.103 0.000 1.446 324 F CB -0.434 38.534 39.000 -0.053 0.000 1.092 324 F HN 0.606 nan 8.300 nan 0.000 0.554 325 N N -0.815 117.685 118.700 -0.333 0.000 3.308 325 N HA 0.119 4.859 4.740 -0.000 0.000 0.276 325 N C -0.031 175.318 175.510 -0.268 0.000 1.533 325 N CA -0.361 52.560 53.050 -0.214 0.000 0.878 325 N CB 0.465 38.903 38.487 -0.081 0.000 1.566 325 N HN -0.068 nan 8.380 nan 0.000 0.546 326 E N 0.161 120.253 120.200 -0.181 0.000 2.085 326 E HA -0.002 4.348 4.350 -0.000 0.000 0.194 326 E C 1.450 177.950 176.600 -0.167 0.000 0.994 326 E CA 1.683 57.995 56.400 -0.147 0.000 0.801 326 E CB -0.368 29.260 29.700 -0.120 0.000 0.743 326 E HN 0.516 nan 8.360 nan 0.000 0.453 327 L N 0.713 121.821 121.223 -0.191 0.000 2.046 327 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 327 L C 2.255 178.989 176.870 -0.227 0.000 1.077 327 L CA 1.520 56.255 54.840 -0.176 0.000 0.747 327 L CB -0.421 41.560 42.059 -0.131 0.000 0.896 327 L HN 0.108 nan 8.230 nan 0.000 0.432 328 D N 0.007 120.145 120.400 -0.437 0.000 2.144 328 D HA -0.239 4.401 4.640 -0.000 0.000 0.200 328 D C 2.121 178.345 176.300 -0.127 0.000 0.978 328 D CA 1.077 54.803 54.000 -0.456 0.000 0.833 328 D CB 0.154 40.261 40.800 -1.155 0.000 0.961 328 D HN 0.314 nan 8.370 nan 0.000 0.470 329 E N -0.383 119.748 120.200 -0.116 0.000 2.051 329 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 329 E C 1.992 178.622 176.600 0.049 0.000 0.991 329 E CA 1.127 57.549 56.400 0.037 0.000 0.799 329 E CB -0.197 29.493 29.700 -0.017 0.000 0.748 329 E HN 0.312 nan 8.360 nan 0.000 0.449 330 A N 1.270 124.062 122.820 -0.047 0.000 1.877 330 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 330 A C 2.191 179.717 177.584 -0.096 0.000 1.186 330 A CA 1.703 53.691 52.037 -0.082 0.000 0.620 330 A CB -0.535 18.394 19.000 -0.118 0.000 0.822 330 A HN 0.208 nan 8.150 nan 0.000 0.443 331 R N -1.847 118.603 120.500 -0.082 0.000 2.096 331 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 331 R C 1.981 178.222 176.300 -0.099 0.000 1.127 331 R CA 1.507 57.555 56.100 -0.086 0.000 0.968 331 R CB -0.524 29.742 30.300 -0.056 0.000 0.861 331 R HN 0.624 nan 8.270 nan 0.000 0.440 332 F N 1.061 120.889 119.950 -0.204 0.000 2.102 332 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 332 F C 1.940 177.564 175.800 -0.293 0.000 1.105 332 F CA 1.322 59.135 58.000 -0.312 0.000 1.239 332 F CB -0.278 38.402 39.000 -0.533 0.000 0.991 332 F HN -0.277 nan 8.300 nan 0.000 0.474 333 V N -0.186 119.549 119.914 -0.299 0.000 2.343 333 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 333 V C 2.430 178.151 176.094 -0.621 0.000 1.051 333 V CA 1.640 63.596 62.300 -0.573 0.000 1.036 333 V CB -0.712 30.854 31.823 -0.428 0.000 0.654 333 V HN 0.311 nan 8.190 nan 0.000 0.451 334 V N 0.938 120.617 119.914 -0.393 0.000 2.407 334 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 334 V C 2.445 178.366 176.094 -0.288 0.000 1.055 334 V CA 2.297 64.416 62.300 -0.302 0.000 1.049 334 V CB -0.889 30.814 31.823 -0.200 0.000 0.662 334 V HN 0.699 nan 8.190 nan 0.000 0.455 335 N N 0.568 119.072 118.700 -0.326 0.000 2.069 335 N HA -0.222 4.518 4.740 -0.000 0.000 0.191 335 N C 2.012 177.341 175.510 -0.301 0.000 1.031 335 N CA 1.512 54.389 53.050 -0.288 0.000 0.852 335 N CB -0.109 38.189 38.487 -0.316 0.000 1.018 335 N HN 0.320 nan 8.380 nan 0.000 0.423 336 R N 0.763 120.983 120.500 -0.468 0.000 2.096 336 R HA -0.002 4.338 4.340 -0.000 0.000 0.235 336 R C 2.383 178.632 176.300 -0.085 0.000 1.127 336 R CA 0.597 56.526 56.100 -0.284 0.000 0.968 336 R CB -0.892 29.235 30.300 -0.287 0.000 0.861 336 R HN 0.442 nan 8.270 nan 0.000 0.440 337 I N 0.889 121.332 120.570 -0.211 0.000 2.315 337 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 337 I C 2.645 178.798 176.117 0.060 0.000 1.117 337 I CA 1.016 62.280 61.300 -0.059 0.000 1.404 337 I CB -0.262 37.614 38.000 -0.207 0.000 1.071 337 I HN 0.150 nan 8.210 nan 0.000 0.419 338 K N 0.730 121.112 120.400 -0.030 0.000 2.057 338 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 338 K C 2.031 178.652 176.600 0.034 0.000 1.049 338 K CA 1.855 58.139 56.287 -0.004 0.000 0.931 338 K CB -0.045 32.426 32.500 -0.048 0.000 0.714 338 K HN 0.199 nan 8.250 nan 0.000 0.440 339 T N 0.753 115.330 114.554 0.038 0.000 2.777 339 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 339 T C 1.176 175.953 174.700 0.127 0.000 1.040 339 T CA 1.210 63.345 62.100 0.059 0.000 1.141 339 T CB -0.302 68.595 68.868 0.047 0.000 0.868 339 T HN 0.497 nan 8.240 nan 0.000 0.444 340 W N 2.072 123.370 121.300 -0.005 0.000 2.355 340 W HA -0.180 4.479 4.660 -0.000 0.000 0.309 340 W C 2.146 178.672 176.519 0.011 0.000 1.206 340 W CA 1.500 58.857 57.345 0.019 0.000 1.284 340 W CB -0.437 29.055 29.460 0.053 0.000 1.145 340 W HN 0.322 nan 8.180 nan 0.000 0.502 341 Q N 0.506 120.375 119.800 0.116 0.000 2.050 341 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 341 Q C 1.692 177.644 176.000 -0.080 0.000 0.980 341 Q CA 2.223 58.014 55.803 -0.020 0.000 0.840 341 Q CB -0.461 28.316 28.738 0.065 0.000 0.898 341 Q HN 0.026 nan 8.270 nan 0.000 0.424 342 D N 0.388 120.766 120.400 -0.036 0.000 2.311 342 D HA -0.111 4.529 4.640 -0.000 0.000 0.212 342 D C 0.636 176.892 176.300 -0.074 0.000 0.972 342 D CA 0.731 54.705 54.000 -0.043 0.000 0.887 342 D CB -0.134 40.654 40.800 -0.020 0.000 0.915 342 D HN 0.278 nan 8.370 nan 0.000 0.497 343 N N -0.704 117.924 118.700 -0.120 0.000 2.251 343 N HA 0.175 4.915 4.740 -0.000 0.000 0.217 343 N C 1.102 176.468 175.510 -0.241 0.000 1.124 343 N CA 0.572 53.531 53.050 -0.152 0.000 0.843 343 N CB 1.311 39.718 38.487 -0.133 0.000 1.024 343 N HN 0.185 nan 8.380 nan 0.000 0.501 344 G N -0.414 108.236 108.800 -0.249 0.000 2.176 344 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.232 344 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.232 344 G C 0.465 175.124 174.900 -0.402 0.000 0.986 344 G CA -0.149 44.798 45.100 -0.256 0.000 0.643 344 G HN 0.552 nan 8.290 nan 0.000 0.522 345 G N 0.190 108.535 108.800 -0.759 0.000 2.467 345 G HA2 0.710 4.670 3.960 -0.000 0.000 0.257 345 G HA3 0.710 4.670 3.960 -0.000 0.000 0.257 345 G C 0.442 175.154 174.900 -0.312 0.000 1.227 345 G CA 0.720 45.105 45.100 -1.191 0.000 0.835 345 G HN 1.499 nan 8.290 nan 0.000 0.556 346 A N 1.562 124.463 122.820 0.136 0.000 2.340 346 A HA 0.477 4.797 4.320 -0.000 0.000 0.268 346 A C 1.434 179.266 177.584 0.414 0.000 1.100 346 A CA -0.625 51.555 52.037 0.238 0.000 0.803 346 A CB 0.570 19.693 19.000 0.206 0.000 1.043 346 A HN 0.696 nan 8.150 nan 0.000 0.488 347 L N 1.760 123.121 121.223 0.229 0.000 2.093 347 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 347 L C 2.774 179.729 176.870 0.141 0.000 1.085 347 L CA 1.578 56.526 54.840 0.180 0.000 0.755 347 L CB -0.486 41.617 42.059 0.074 0.000 0.904 347 L HN 0.849 nan 8.230 nan 0.000 0.435 348 A N -0.322 122.578 122.820 0.134 0.000 2.172 348 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 348 A C 1.824 179.550 177.584 0.237 0.000 1.154 348 A CA 1.052 53.173 52.037 0.140 0.000 0.701 348 A CB -0.388 18.678 19.000 0.110 0.000 0.789 348 A HN 0.480 nan 8.150 nan 0.000 0.465 349 E N -1.257 119.102 120.200 0.265 0.000 2.465 349 E HA 0.099 4.449 4.350 -0.000 0.000 0.191 349 E C -0.703 175.948 176.600 0.084 0.000 1.053 349 E CA -0.380 56.191 56.400 0.286 0.000 0.869 349 E CB 0.032 29.983 29.700 0.418 0.000 0.977 349 E HN 0.520 nan 8.360 nan 0.000 0.483 350 C N 1.289 120.589 119.300 -0.000 0.000 2.345 350 C HA 0.747 5.207 4.460 -0.000 0.000 0.323 350 C C 0.218 175.040 174.990 -0.282 0.000 1.276 350 C CA -0.773 58.162 59.018 -0.139 0.000 1.543 350 C CB 0.676 28.366 27.740 -0.084 0.000 2.211 350 C HN 0.305 nan 8.230 nan 0.000 0.493 351 A N 3.977 126.539 122.820 -0.431 0.000 2.355 351 A HA 0.892 5.212 4.320 -0.000 0.000 0.317 351 A C -0.873 176.587 177.584 -0.205 0.000 1.094 351 A CA -0.404 51.248 52.037 -0.642 0.000 0.764 351 A CB 0.629 18.734 19.000 -1.491 0.000 1.230 351 A HN 0.833 nan 8.150 nan 0.000 0.448 352 I N 3.347 123.827 120.570 -0.149 0.000 2.354 352 I HA 0.320 4.490 4.170 -0.000 0.000 0.286 352 I C -0.752 175.308 176.117 -0.095 0.000 1.007 352 I CA -0.184 61.113 61.300 -0.005 0.000 1.167 352 I CB 1.169 39.185 38.000 0.026 0.000 1.320 352 I HN 0.483 nan 8.210 nan 0.000 0.458 353 L N 7.183 128.342 121.223 -0.107 0.000 2.331 353 L HA 0.615 4.955 4.340 -0.000 0.000 0.275 353 L C -0.987 175.774 176.870 -0.182 0.000 1.022 353 L CA -0.945 53.707 54.840 -0.313 0.000 0.812 353 L CB 1.515 43.446 42.059 -0.214 0.000 1.257 353 L HN 0.482 nan 8.230 nan 0.000 0.435 354 Y N -0.782 119.483 120.300 -0.059 0.000 2.609 354 Y HA 0.552 5.102 4.550 -0.000 0.000 0.336 354 Y C 0.276 176.087 175.900 -0.148 0.000 1.129 354 Y CA -1.446 56.606 58.100 -0.080 0.000 1.040 354 Y CB 1.027 39.461 38.460 -0.045 0.000 1.310 354 Y HN 0.328 nan 8.280 nan 0.000 0.460 355 R N 1.527 122.014 120.500 -0.022 0.000 2.073 355 R HA 0.102 4.442 4.340 -0.000 0.000 0.229 355 R C -0.134 176.187 176.300 0.035 0.000 1.120 355 R CA 1.635 57.642 56.100 -0.155 0.000 0.967 355 R CB -0.337 29.841 30.300 -0.204 0.000 0.862 355 R HN 0.813 nan 8.270 nan 0.000 0.436 356 S N -1.000 114.774 115.700 0.123 0.000 2.536 356 S HA 0.366 4.836 4.470 -0.000 0.000 0.298 356 S C 0.113 174.787 174.600 0.124 0.000 1.083 356 S CA -0.978 57.279 58.200 0.094 0.000 0.995 356 S CB 1.654 64.867 63.200 0.023 0.000 1.058 356 S HN 0.188 nan 8.310 nan 0.000 0.488 357 N N 1.517 120.271 118.700 0.090 0.000 2.205 357 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 357 N C 1.837 177.257 175.510 -0.150 0.000 1.015 357 N CA 1.441 54.514 53.050 0.038 0.000 0.862 357 N CB -0.637 37.876 38.487 0.044 0.000 0.986 357 N HN 0.865 nan 8.380 nan 0.000 0.429 358 A N 1.066 123.805 122.820 -0.135 0.000 2.125 358 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 358 A C 2.024 179.459 177.584 -0.248 0.000 1.156 358 A CA 1.026 52.957 52.037 -0.178 0.000 0.671 358 A CB -0.368 18.531 19.000 -0.169 0.000 0.794 358 A HN 0.360 nan 8.150 nan 0.000 0.459 359 Q N -0.050 119.551 119.800 -0.331 0.000 2.435 359 Q HA -0.083 4.257 4.340 -0.000 0.000 0.207 359 Q C 2.217 177.874 176.000 -0.573 0.000 0.956 359 Q CA 1.142 56.708 55.803 -0.395 0.000 0.917 359 Q CB -0.124 28.418 28.738 -0.326 0.000 0.997 359 Q HN 0.878 nan 8.270 nan 0.000 0.497 360 S N 0.452 115.711 115.700 -0.735 0.000 2.402 360 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 360 S C 1.857 176.264 174.600 -0.322 0.000 1.021 360 S CA 0.613 58.460 58.200 -0.589 0.000 0.974 360 S CB -0.140 62.811 63.200 -0.415 0.000 0.800 360 S HN 0.298 nan 8.310 nan 0.000 0.484 361 R N 0.932 121.276 120.500 -0.259 0.000 2.115 361 R HA -0.108 4.232 4.340 -0.000 0.000 0.239 361 R C 2.039 178.227 176.300 -0.187 0.000 1.133 361 R CA 2.207 58.193 56.100 -0.189 0.000 0.935 361 R CB -0.816 29.389 30.300 -0.158 0.000 0.853 361 R HN 0.402 nan 8.270 nan 0.000 0.433 362 V N 1.240 121.042 119.914 -0.186 0.000 2.626 362 V HA -0.204 3.916 4.120 -0.000 0.000 0.252 362 V C 2.289 178.274 176.094 -0.183 0.000 1.067 362 V CA 1.427 63.628 62.300 -0.164 0.000 1.081 362 V CB -0.318 31.417 31.823 -0.146 0.000 0.686 362 V HN 0.341 nan 8.190 nan 0.000 0.468 363 L N -0.147 120.947 121.223 -0.215 0.000 2.044 363 L HA -0.162 4.178 4.340 -0.000 0.000 0.205 363 L C 2.593 179.279 176.870 -0.306 0.000 1.075 363 L CA 1.944 56.649 54.840 -0.225 0.000 0.747 363 L CB -0.535 41.401 42.059 -0.205 0.000 0.903 363 L HN 0.391 nan 8.230 nan 0.000 0.435 364 E N 0.554 120.541 120.200 -0.354 0.000 2.110 364 E HA -0.306 4.044 4.350 -0.000 0.000 0.193 364 E C 2.062 178.432 176.600 -0.383 0.000 0.988 364 E CA 1.522 57.604 56.400 -0.531 0.000 0.804 364 E CB 0.024 29.499 29.700 -0.376 0.000 0.745 364 E HN 0.451 nan 8.360 nan 0.000 0.458 365 E N -0.133 119.926 120.200 -0.235 0.000 2.077 365 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 365 E C 1.921 178.432 176.600 -0.148 0.000 0.989 365 E CA 1.160 57.467 56.400 -0.156 0.000 0.800 365 E CB -0.189 29.437 29.700 -0.123 0.000 0.746 365 E HN 0.361 nan 8.360 nan 0.000 0.452 366 A N 0.734 123.454 122.820 -0.168 0.000 1.930 366 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 366 A C 2.170 179.664 177.584 -0.150 0.000 1.175 366 A CA 0.911 52.863 52.037 -0.143 0.000 0.627 366 A CB -0.492 18.421 19.000 -0.145 0.000 0.815 366 A HN 0.291 nan 8.150 nan 0.000 0.443 367 L N -0.677 120.415 121.223 -0.220 0.000 2.056 367 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 367 L C 2.545 179.365 176.870 -0.083 0.000 1.078 367 L CA 0.919 55.645 54.840 -0.190 0.000 0.749 367 L CB -0.509 41.332 42.059 -0.363 0.000 0.901 367 L HN 0.352 nan 8.230 nan 0.000 0.433 368 L N -0.562 120.603 121.223 -0.097 0.000 2.012 368 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 368 L C 2.733 179.599 176.870 -0.007 0.000 1.073 368 L CA 1.508 56.359 54.840 0.017 0.000 0.748 368 L CB -0.514 41.551 42.059 0.011 0.000 0.891 368 L HN 0.371 nan 8.230 nan 0.000 0.431 369 Q N 0.001 119.777 119.800 -0.039 0.000 2.234 369 Q HA -0.198 4.142 4.340 -0.000 0.000 0.206 369 Q C 1.760 177.743 176.000 -0.029 0.000 0.980 369 Q CA 1.603 57.386 55.803 -0.033 0.000 0.869 369 Q CB -0.002 28.710 28.738 -0.043 0.000 0.912 369 Q HN 0.518 nan 8.270 nan 0.000 0.436 370 A N -0.674 122.124 122.820 -0.036 0.000 2.345 370 A HA 0.206 4.526 4.320 -0.000 0.000 0.225 370 A C 0.613 178.188 177.584 -0.016 0.000 1.243 370 A CA 0.424 52.441 52.037 -0.033 0.000 0.875 370 A CB 0.220 19.188 19.000 -0.053 0.000 0.929 370 A HN 0.270 nan 8.150 nan 0.000 0.502 371 S N -1.342 114.358 115.700 -0.000 0.000 3.614 371 S HA -0.200 4.270 4.470 -0.000 0.000 0.360 371 S C 0.057 174.667 174.600 0.018 0.000 1.023 371 S CA 1.176 59.384 58.200 0.012 0.000 1.114 371 S CB -1.653 61.547 63.200 -0.001 0.000 0.907 371 S HN 0.801 nan 8.310 nan 0.000 0.470 372 M N 1.531 121.154 119.600 0.038 0.000 2.088 372 M HA 0.375 4.855 4.480 -0.000 0.000 0.346 372 M C -2.688 173.683 176.300 0.118 0.000 1.111 372 M CA -2.077 53.249 55.300 0.043 0.000 1.017 372 M CB 1.153 33.759 32.600 0.010 0.000 1.568 372 M HN -0.197 nan 8.290 nan 0.000 0.445 373 P HA 0.085 nan 4.420 nan 0.000 0.265 373 P C -1.918 175.403 177.300 0.035 0.000 1.193 373 P CA 0.496 63.576 63.100 -0.034 0.000 0.765 373 P CB 0.086 31.723 31.700 -0.106 0.000 0.823 374 Y N 0.026 120.284 120.300 -0.070 0.000 2.609 374 Y HA 0.727 5.277 4.550 -0.000 0.000 0.336 374 Y C -0.979 174.892 175.900 -0.048 0.000 1.129 374 Y CA -1.539 56.526 58.100 -0.059 0.000 1.040 374 Y CB 1.675 40.101 38.460 -0.056 0.000 1.310 374 Y HN 0.198 nan 8.280 nan 0.000 0.460 375 R N 2.912 123.434 120.500 0.037 0.000 2.514 375 R HA 0.663 5.003 4.340 -0.000 0.000 0.296 375 R C -2.014 174.378 176.300 0.152 0.000 1.012 375 R CA -0.550 55.552 56.100 0.002 0.000 0.897 375 R CB 1.269 31.552 30.300 -0.028 0.000 1.184 375 R HN 0.900 nan 8.270 nan 0.000 0.440 376 I N 4.119 124.799 120.570 0.184 0.000 2.392 376 I HA 0.307 4.477 4.170 -0.000 0.000 0.295 376 I C -0.775 175.448 176.117 0.177 0.000 0.985 376 I CA -0.924 60.499 61.300 0.204 0.000 1.221 376 I CB 1.395 39.515 38.000 0.200 0.000 1.366 376 I HN 0.569 nan 8.210 nan 0.000 0.467 377 Y N 4.779 125.132 120.300 0.089 0.000 2.429 377 Y HA 0.690 5.240 4.550 0.000 0.000 0.342 377 Y C 0.352 176.298 175.900 0.076 0.000 1.004 377 Y CA -0.086 58.052 58.100 0.063 0.000 1.075 377 Y CB 1.715 40.196 38.460 0.036 0.000 1.214 377 Y HN 0.799 nan 8.280 nan 0.000 0.455 378 G N 2.217 110.564 108.800 -0.755 0.000 2.781 378 G HA2 0.377 4.337 3.960 -0.000 0.000 0.683 378 G HA3 0.377 4.337 3.960 -0.000 0.000 0.683 378 G C 0.181 175.002 174.900 -0.130 0.000 1.390 378 G CA -0.163 44.698 45.100 -0.398 0.000 0.850 378 G HN 2.192 nan 8.290 nan 0.000 0.557 379 G N -0.103 108.652 108.800 -0.074 0.000 2.525 379 G HA2 0.105 4.065 3.960 -0.000 0.000 0.248 379 G HA3 0.105 4.065 3.960 -0.000 0.000 0.248 379 G C 0.622 175.499 174.900 -0.038 0.000 1.238 379 G CA 0.601 45.684 45.100 -0.029 0.000 0.926 379 G HN 1.960 nan 8.290 nan 0.000 0.574 380 M N 1.546 121.131 119.600 -0.026 0.000 3.042 380 M HA 0.322 4.802 4.480 -0.000 0.000 0.283 380 M C 0.833 177.124 176.300 -0.016 0.000 1.473 380 M CA 0.105 55.394 55.300 -0.019 0.000 1.583 380 M CB -0.449 32.137 32.600 -0.023 0.000 1.221 380 M HN 0.508 nan 8.290 nan 0.000 0.518 381 R N 0.929 121.422 120.500 -0.013 0.000 2.531 381 R HA 0.244 4.584 4.340 -0.000 0.000 0.260 381 R C 0.929 177.243 176.300 0.024 0.000 1.144 381 R CA -0.506 55.599 56.100 0.009 0.000 1.171 381 R CB -0.201 30.097 30.300 -0.003 0.000 1.199 381 R HN 0.488 nan 8.270 nan 0.000 0.594 382 F N 0.625 120.475 119.950 -0.166 0.000 2.063 382 F HA -0.264 4.263 4.527 0.000 0.000 0.298 382 F C 1.420 177.061 175.800 -0.265 0.000 1.105 382 F CA 1.794 59.622 58.000 -0.286 0.000 1.215 382 F CB -0.356 38.340 39.000 -0.505 0.000 0.972 382 F HN 0.467 nan 8.300 nan 0.000 0.483 383 F N 0.313 120.251 119.950 -0.019 0.000 2.722 383 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 383 F C 1.926 177.658 175.800 -0.114 0.000 1.175 383 F CA 0.412 58.343 58.000 -0.115 0.000 1.462 383 F CB -0.320 38.677 39.000 -0.005 0.000 1.111 383 F HN 0.047 nan 8.300 nan 0.000 0.592 384 E N -0.094 120.118 120.200 0.021 0.000 2.415 384 E HA 0.048 4.398 4.350 -0.000 0.000 0.197 384 E C 0.648 177.218 176.600 -0.049 0.000 1.007 384 E CA 0.040 56.446 56.400 0.009 0.000 0.890 384 E CB -0.099 29.610 29.700 0.015 0.000 0.891 384 E HN 0.178 nan 8.360 nan 0.000 0.496 385 R N 2.202 122.618 120.500 -0.140 0.000 2.585 385 R HA -0.060 4.280 4.340 -0.000 0.000 0.275 385 R C 1.482 177.706 176.300 -0.126 0.000 1.018 385 R CA 0.260 56.261 56.100 -0.165 0.000 1.072 385 R CB 0.163 30.285 30.300 -0.296 0.000 0.953 385 R HN 0.169 nan 8.270 nan 0.000 0.419 386 Q N 2.849 122.603 119.800 -0.077 0.000 2.029 386 Q HA -0.320 4.020 4.340 -0.000 0.000 0.209 386 Q C 1.277 177.265 176.000 -0.020 0.000 0.999 386 Q CA 2.295 58.089 55.803 -0.014 0.000 0.857 386 Q CB 0.027 28.787 28.738 0.035 0.000 0.926 386 Q HN 0.746 nan 8.270 nan 0.000 0.415 387 E N 0.274 120.366 120.200 -0.181 0.000 2.118 387 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 387 E C 1.989 178.499 176.600 -0.151 0.000 0.992 387 E CA 1.197 57.402 56.400 -0.325 0.000 0.804 387 E CB -0.448 28.711 29.700 -0.903 0.000 0.741 387 E HN 0.465 nan 8.360 nan 0.000 0.458 388 I N 1.491 121.935 120.570 -0.210 0.000 2.286 388 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 388 I C 2.385 178.493 176.117 -0.015 0.000 1.104 388 I CA 0.892 62.084 61.300 -0.180 0.000 1.397 388 I CB -0.939 36.797 38.000 -0.440 0.000 1.072 388 I HN 0.055 nan 8.210 nan 0.000 0.417 389 K N 0.972 121.370 120.400 -0.003 0.000 2.009 389 K HA -0.185 4.135 4.320 -0.000 0.000 0.210 389 K C 1.702 178.364 176.600 0.102 0.000 1.049 389 K CA 1.464 57.785 56.287 0.056 0.000 0.929 389 K CB -0.433 32.094 32.500 0.045 0.000 0.714 389 K HN 0.314 nan 8.250 nan 0.000 0.440 390 D N 0.619 121.098 120.400 0.132 0.000 2.104 390 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 390 D C 1.807 178.286 176.300 0.299 0.000 0.994 390 D CA 1.481 55.612 54.000 0.218 0.000 0.830 390 D CB -0.219 40.753 40.800 0.287 0.000 0.959 390 D HN 0.191 nan 8.370 nan 0.000 0.452 391 A N 0.690 123.642 122.820 0.220 0.000 1.933 391 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 391 A C 2.363 180.068 177.584 0.203 0.000 1.175 391 A CA 0.897 53.051 52.037 0.196 0.000 0.628 391 A CB -0.696 18.364 19.000 0.101 0.000 0.814 391 A HN 0.228 nan 8.150 nan 0.000 0.444 392 L N -0.664 120.661 121.223 0.170 0.000 2.395 392 L HA -0.048 4.292 4.340 -0.000 0.000 0.218 392 L C 2.513 179.462 176.870 0.132 0.000 1.130 392 L CA 0.827 55.759 54.840 0.153 0.000 0.826 392 L CB -0.228 41.923 42.059 0.153 0.000 0.941 392 L HN 0.305 nan 8.230 nan 0.000 0.451 393 S N -1.107 114.678 115.700 0.142 0.000 2.395 393 S HA -0.103 4.367 4.470 -0.000 0.000 0.225 393 S C 1.839 176.468 174.600 0.048 0.000 1.027 393 S CA 0.791 59.036 58.200 0.074 0.000 0.965 393 S CB -0.161 63.057 63.200 0.030 0.000 0.812 393 S HN 0.328 nan 8.310 nan 0.000 0.482 394 Y N 2.010 122.357 120.300 0.078 0.000 2.181 394 Y HA -0.011 4.538 4.550 -0.000 0.000 0.288 394 Y C 2.058 177.977 175.900 0.032 0.000 1.146 394 Y CA 0.907 59.049 58.100 0.070 0.000 1.164 394 Y CB -0.424 38.075 38.460 0.066 0.000 0.982 394 Y HN 0.169 nan 8.280 nan 0.000 0.515 395 L N -0.752 120.578 121.223 0.177 0.000 2.131 395 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 395 L C 2.492 179.386 176.870 0.039 0.000 1.092 395 L CA 1.230 56.119 54.840 0.082 0.000 0.759 395 L CB -0.495 41.601 42.059 0.061 0.000 0.903 395 L HN 0.159 nan 8.230 nan 0.000 0.435 396 R N 0.188 120.714 120.500 0.043 0.000 2.075 396 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 396 R C 2.290 178.581 176.300 -0.015 0.000 1.126 396 R CA 1.125 57.234 56.100 0.015 0.000 0.963 396 R CB -0.320 29.997 30.300 0.028 0.000 0.858 396 R HN 0.343 nan 8.270 nan 0.000 0.435 397 L N 0.510 121.724 121.223 -0.014 0.000 2.201 397 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 397 L C 2.199 178.988 176.870 -0.135 0.000 1.105 397 L CA 0.937 55.737 54.840 -0.067 0.000 0.775 397 L CB -0.249 41.792 42.059 -0.031 0.000 0.913 397 L HN 0.202 nan 8.230 nan 0.000 0.440 398 I N -0.352 120.174 120.570 -0.073 0.000 2.676 398 I HA -0.157 4.013 4.170 -0.000 0.000 0.259 398 I C 2.260 178.323 176.117 -0.090 0.000 1.194 398 I CA 0.943 62.196 61.300 -0.079 0.000 1.473 398 I CB -0.171 37.813 38.000 -0.027 0.000 1.096 398 I HN 0.186 nan 8.210 nan 0.000 0.443 399 V N -0.274 119.593 119.914 -0.078 0.000 3.590 399 V HA 0.148 4.268 4.120 -0.000 0.000 0.265 399 V C 0.415 176.454 176.094 -0.093 0.000 1.239 399 V CA 0.754 63.009 62.300 -0.075 0.000 1.117 399 V CB 0.012 31.802 31.823 -0.055 0.000 0.818 399 V HN 0.455 nan 8.190 nan 0.000 0.451 400 N N -0.874 117.752 118.700 -0.123 0.000 4.190 400 N HA 0.216 4.956 4.740 -0.000 0.000 0.184 400 N C 0.209 175.599 175.510 -0.200 0.000 1.230 400 N CA -0.426 52.538 53.050 -0.142 0.000 0.927 400 N CB 0.721 39.163 38.487 -0.075 0.000 1.653 400 N HN 0.024 nan 8.380 nan 0.000 0.832 401 R N 1.121 121.390 120.500 -0.385 0.000 2.241 401 R HA 0.168 4.508 4.340 -0.000 0.000 0.224 401 R C 1.030 177.172 176.300 -0.265 0.000 1.101 401 R CA 0.837 56.574 56.100 -0.605 0.000 0.995 401 R CB -0.168 29.192 30.300 -1.568 0.000 0.870 401 R HN 0.570 nan 8.270 nan 0.000 0.463 402 N N 0.775 119.375 118.700 -0.166 0.000 2.515 402 N HA -0.108 4.632 4.740 -0.000 0.000 0.185 402 N C -0.176 175.332 175.510 -0.004 0.000 1.109 402 N CA 0.408 53.426 53.050 -0.054 0.000 0.903 402 N CB -0.067 38.394 38.487 -0.042 0.000 0.969 402 N HN 0.184 nan 8.380 nan 0.000 0.450 403 D N 2.108 122.514 120.400 0.009 0.000 2.422 403 D HA -0.053 4.587 4.640 -0.000 0.000 0.263 403 D C 0.329 176.701 176.300 0.120 0.000 1.334 403 D CA 0.041 54.072 54.000 0.052 0.000 1.105 403 D CB 0.307 41.134 40.800 0.045 0.000 1.107 403 D HN 0.043 nan 8.370 nan 0.000 0.522 404 D N 2.731 123.190 120.400 0.098 0.000 2.144 404 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 404 D C 1.834 178.247 176.300 0.189 0.000 0.984 404 D CA 1.040 55.127 54.000 0.144 0.000 0.834 404 D CB 0.028 40.877 40.800 0.080 0.000 0.955 404 D HN 0.540 nan 8.370 nan 0.000 0.465 405 A N 1.244 124.141 122.820 0.128 0.000 1.858 405 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 405 A C 2.361 180.013 177.584 0.113 0.000 1.190 405 A CA 2.434 54.537 52.037 0.110 0.000 0.617 405 A CB -0.849 18.197 19.000 0.076 0.000 0.827 405 A HN 0.242 nan 8.150 nan 0.000 0.443 406 A N -1.299 121.588 122.820 0.111 0.000 1.902 406 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 406 A C 2.050 179.697 177.584 0.105 0.000 1.181 406 A CA 1.631 53.719 52.037 0.085 0.000 0.623 406 A CB -0.768 18.275 19.000 0.071 0.000 0.818 406 A HN 0.640 nan 8.150 nan 0.000 0.443 407 F N 0.680 120.669 119.950 0.064 0.000 2.011 407 F HA -0.216 4.311 4.527 -0.000 0.000 0.296 407 F C 2.186 178.016 175.800 0.049 0.000 1.144 407 F CA 2.426 60.501 58.000 0.126 0.000 1.185 407 F CB -0.392 38.719 39.000 0.185 0.000 0.961 407 F HN 0.328 nan 8.300 nan 0.000 0.485 408 E N -0.391 119.937 120.200 0.214 0.000 2.463 408 E HA -0.209 4.141 4.350 -0.000 0.000 0.201 408 E C 2.174 178.744 176.600 -0.051 0.000 1.045 408 E CA 0.284 56.717 56.400 0.056 0.000 0.872 408 E CB -0.078 29.718 29.700 0.159 0.000 0.797 408 E HN 0.383 nan 8.360 nan 0.000 0.538 409 R N 0.068 120.538 120.500 -0.050 0.000 2.112 409 R HA -0.046 4.294 4.340 -0.000 0.000 0.216 409 R C 1.876 178.114 176.300 -0.103 0.000 1.080 409 R CA 1.198 57.271 56.100 -0.044 0.000 0.996 409 R CB 0.469 30.771 30.300 0.004 0.000 0.902 409 R HN 0.161 nan 8.270 nan 0.000 0.449 410 V N -2.349 117.441 119.914 -0.206 0.000 3.477 410 V HA 0.150 4.270 4.120 -0.000 0.000 0.297 410 V C 1.648 177.450 176.094 -0.486 0.000 1.433 410 V CA 0.166 62.307 62.300 -0.265 0.000 1.052 410 V CB 0.292 31.838 31.823 -0.461 0.000 0.895 410 V HN 0.067 nan 8.190 nan 0.000 0.438 411 V N 2.194 121.660 119.914 -0.746 0.000 2.324 411 V HA -0.228 3.892 4.120 -0.000 0.000 0.250 411 V C 1.697 177.171 176.094 -1.033 0.000 1.060 411 V CA 2.996 64.436 62.300 -1.434 0.000 1.042 411 V CB -0.420 30.652 31.823 -1.251 0.000 0.650 411 V HN 0.774 nan 8.190 nan 0.000 0.450 412 N N -0.375 118.012 118.700 -0.520 0.000 2.480 412 N HA 0.198 4.938 4.740 -0.000 0.000 0.281 412 N C -0.942 174.465 175.510 -0.171 0.000 1.381 412 N CA 0.079 52.943 53.050 -0.309 0.000 0.903 412 N CB 0.487 38.839 38.487 -0.225 0.000 1.274 412 N HN 0.439 nan 8.380 nan 0.000 0.505 413 T N 1.145 115.622 114.554 -0.129 0.000 2.985 413 T HA 0.382 4.732 4.350 -0.000 0.000 0.315 413 T C -2.807 171.953 174.700 0.100 0.000 1.001 413 T CA -1.041 61.041 62.100 -0.030 0.000 1.016 413 T CB 2.087 70.948 68.868 -0.012 0.000 0.993 413 T HN -0.007 nan 8.240 nan 0.000 0.454 414 P HA 0.135 nan 4.420 nan 0.000 0.270 414 P C 0.329 177.602 177.300 -0.046 0.000 1.223 414 P CA -0.336 62.737 63.100 -0.045 0.000 0.785 414 P CB 0.157 31.823 31.700 -0.056 0.000 0.923 415 T N -0.583 113.932 114.554 -0.065 0.000 2.866 415 T HA 0.067 4.417 4.350 -0.000 0.000 0.293 415 T C 0.526 175.197 174.700 -0.049 0.000 1.005 415 T CA -0.211 61.849 62.100 -0.066 0.000 1.162 415 T CB -0.191 68.643 68.868 -0.057 0.000 0.968 415 T HN 0.564 nan 8.240 nan 0.000 0.530 416 R N 1.807 122.271 120.500 -0.059 0.000 2.637 416 R HA 0.526 4.866 4.340 -0.000 0.000 0.446 416 R C 1.254 177.535 176.300 -0.032 0.000 1.024 416 R CA -0.512 55.570 56.100 -0.029 0.000 1.080 416 R CB -0.315 29.985 30.300 -0.001 0.000 1.421 416 R HN 1.003 nan 8.270 nan 0.000 0.593 417 G N 1.313 110.089 108.800 -0.041 0.000 2.199 417 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.254 417 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.254 417 G C 0.242 175.115 174.900 -0.045 0.000 0.982 417 G CA 0.192 45.272 45.100 -0.034 0.000 0.632 417 G HN 0.374 nan 8.290 nan 0.000 0.529 418 I N 2.942 123.465 120.570 -0.078 0.000 2.206 418 I HA 0.404 4.574 4.170 -0.000 0.000 0.292 418 I C 1.584 177.650 176.117 -0.086 0.000 1.156 418 I CA -0.038 61.208 61.300 -0.090 0.000 1.356 418 I CB -0.142 37.761 38.000 -0.163 0.000 1.494 418 I HN 0.196 nan 8.210 nan 0.000 0.601 419 G N 2.727 111.494 108.800 -0.054 0.000 2.631 419 G HA2 0.006 3.966 3.960 -0.000 0.000 0.271 419 G HA3 0.006 3.966 3.960 -0.000 0.000 0.271 419 G C 0.354 175.233 174.900 -0.035 0.000 1.302 419 G CA -0.170 44.903 45.100 -0.044 0.000 1.002 419 G HN 0.493 nan 8.290 nan 0.000 0.519 420 D N -0.613 119.773 120.400 -0.024 0.000 2.144 420 D HA -0.054 4.586 4.640 -0.000 0.000 0.199 420 D C 2.605 178.902 176.300 -0.004 0.000 0.984 420 D CA 0.792 54.784 54.000 -0.013 0.000 0.834 420 D CB 0.054 40.849 40.800 -0.008 0.000 0.955 420 D HN 0.164 nan 8.370 nan 0.000 0.465 421 R N 0.094 120.590 120.500 -0.006 0.000 2.091 421 R HA -0.036 4.304 4.340 -0.000 0.000 0.238 421 R C 2.290 178.590 176.300 0.000 0.000 1.136 421 R CA 1.341 57.440 56.100 -0.002 0.000 0.959 421 R CB -1.127 29.171 30.300 -0.004 0.000 0.856 421 R HN 0.167 nan 8.270 nan 0.000 0.437 422 T N 1.053 115.605 114.554 -0.004 0.000 2.708 422 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 422 T C 1.779 176.486 174.700 0.013 0.000 1.037 422 T CA 1.233 63.334 62.100 0.000 0.000 1.146 422 T CB -0.209 68.655 68.868 -0.007 0.000 0.865 422 T HN 0.098 nan 8.240 nan 0.000 0.435 423 L N 0.930 122.160 121.223 0.013 0.000 2.141 423 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 423 L C 2.458 179.351 176.870 0.039 0.000 1.094 423 L CA 1.063 55.926 54.840 0.038 0.000 0.763 423 L CB -0.589 41.486 42.059 0.028 0.000 0.908 423 L HN 0.210 nan 8.230 nan 0.000 0.437 424 D N -0.216 120.198 120.400 0.023 0.000 2.178 424 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 424 D C 2.277 178.589 176.300 0.019 0.000 0.980 424 D CA 1.146 55.159 54.000 0.022 0.000 0.842 424 D CB 0.134 40.942 40.800 0.014 0.000 0.948 424 D HN 0.178 nan 8.370 nan 0.000 0.472 425 V N 0.834 120.757 119.914 0.015 0.000 2.323 425 V HA -0.173 3.947 4.120 -0.000 0.000 0.244 425 V C 2.713 178.814 176.094 0.011 0.000 1.041 425 V CA 0.855 63.161 62.300 0.010 0.000 1.025 425 V CB -0.426 31.401 31.823 0.006 0.000 0.656 425 V HN 0.030 nan 8.190 nan 0.000 0.451 426 V N 0.085 120.010 119.914 0.019 0.000 2.469 426 V HA -0.274 3.846 4.120 -0.000 0.000 0.251 426 V C 2.582 178.685 176.094 0.014 0.000 1.064 426 V CA 2.027 64.337 62.300 0.016 0.000 1.066 426 V CB -0.863 30.986 31.823 0.045 0.000 0.667 426 V HN 0.481 nan 8.190 nan 0.000 0.461 427 R N -0.301 120.216 120.500 0.029 0.000 2.062 427 R HA -0.170 4.170 4.340 -0.000 0.000 0.231 427 R C 2.444 178.754 176.300 0.017 0.000 1.136 427 R CA 1.650 57.768 56.100 0.029 0.000 0.948 427 R CB -0.405 29.920 30.300 0.041 0.000 0.845 427 R HN 0.493 nan 8.270 nan 0.000 0.430 428 Q N 0.067 119.876 119.800 0.014 0.000 2.364 428 Q HA -0.113 4.227 4.340 -0.000 0.000 0.209 428 Q C 1.213 177.215 176.000 0.003 0.000 0.977 428 Q CA 1.339 57.147 55.803 0.008 0.000 0.885 428 Q CB 0.220 28.962 28.738 0.006 0.000 0.941 428 Q HN 0.325 nan 8.270 nan 0.000 0.464 429 T N -0.499 114.055 114.554 0.001 0.000 2.732 429 T HA -0.085 4.265 4.350 -0.000 0.000 0.261 429 T C 1.925 176.621 174.700 -0.007 0.000 1.040 429 T CA 1.396 63.492 62.100 -0.006 0.000 1.145 429 T CB -0.186 68.676 68.868 -0.011 0.000 0.866 429 T HN 0.227 nan 8.240 nan 0.000 0.427 430 S N 1.030 116.725 115.700 -0.009 0.000 2.368 430 S HA -0.116 4.354 4.470 -0.000 0.000 0.225 430 S C 2.093 176.692 174.600 -0.001 0.000 1.030 430 S CA 1.045 59.239 58.200 -0.010 0.000 0.999 430 S CB -0.307 62.884 63.200 -0.015 0.000 0.844 430 S HN 0.435 nan 8.310 nan 0.000 0.459 431 R N 1.200 121.703 120.500 0.005 0.000 2.091 431 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 431 R C 1.044 177.346 176.300 0.003 0.000 1.136 431 R CA 1.934 58.039 56.100 0.008 0.000 0.959 431 R CB -0.269 30.037 30.300 0.010 0.000 0.856 431 R HN 0.346 nan 8.270 nan 0.000 0.437 432 D N -0.409 119.991 120.400 0.000 0.000 2.323 432 D HA 0.000 4.640 4.640 -0.000 0.000 0.218 432 D C 1.674 177.973 176.300 -0.002 0.000 0.973 432 D CA 0.321 54.320 54.000 -0.002 0.000 0.890 432 D CB 0.039 40.837 40.800 -0.003 0.000 1.011 432 D HN 0.131 nan 8.370 nan 0.000 0.499 433 R N 0.984 121.482 120.500 -0.003 0.000 2.316 433 R HA 0.022 4.362 4.340 -0.000 0.000 0.202 433 R C 0.191 176.491 176.300 -0.001 0.000 1.029 433 R CA 0.219 56.318 56.100 -0.003 0.000 1.018 433 R CB -0.307 29.989 30.300 -0.005 0.000 0.888 433 R HN 0.188 nan 8.270 nan 0.000 0.471 434 Q N -0.266 119.533 119.800 -0.001 0.000 2.463 434 Q HA -0.180 4.160 4.340 -0.000 0.000 0.299 434 Q C -0.526 175.474 176.000 0.000 0.000 1.353 434 Q CA 0.884 56.687 55.803 0.001 0.000 0.828 434 Q CB -2.392 26.346 28.738 0.001 0.000 1.157 434 Q HN 0.294 nan 8.270 nan 0.000 0.436 435 L N -4.325 116.897 121.223 -0.002 0.000 2.502 435 L HA 0.836 5.176 4.340 -0.000 0.000 0.253 435 L C 0.596 177.461 176.870 -0.009 0.000 1.070 435 L CA -0.567 54.272 54.840 -0.002 0.000 0.871 435 L CB 0.530 42.590 42.059 0.001 0.000 1.487 435 L HN 0.076 nan 8.230 nan 0.000 0.408 436 T N -1.902 112.646 114.554 -0.010 0.000 2.698 436 T HA 0.413 4.763 4.350 -0.000 0.000 0.295 436 T C 1.193 175.848 174.700 -0.076 0.000 1.007 436 T CA -0.222 61.861 62.100 -0.029 0.000 0.980 436 T CB 0.297 69.156 68.868 -0.015 0.000 1.036 436 T HN 0.631 nan 8.240 nan 0.000 0.526 437 L N -0.685 120.438 121.223 -0.165 0.000 2.056 437 L HA 0.017 4.357 4.340 -0.000 0.000 0.207 437 L C 2.625 179.222 176.870 -0.455 0.000 1.078 437 L CA 1.211 55.846 54.840 -0.341 0.000 0.749 437 L CB -0.499 41.230 42.059 -0.550 0.000 0.901 437 L HN 0.744 nan 8.230 nan 0.000 0.433 438 W N 1.447 122.372 121.300 -0.626 0.000 2.425 438 W HA -0.147 4.514 4.660 0.001 0.000 0.277 438 W C 2.151 178.562 176.519 -0.180 0.000 1.231 438 W CA 1.320 58.423 57.345 -0.403 0.000 1.248 438 W CB -0.049 29.263 29.460 -0.247 0.000 1.117 438 W HN 0.327 nan 8.180 nan 0.000 0.568 439 Q N -0.073 119.776 119.800 0.083 0.000 2.123 439 Q HA -0.077 4.263 4.340 -0.000 0.000 0.199 439 Q C 2.513 178.493 176.000 -0.033 0.000 0.966 439 Q CA 1.542 57.380 55.803 0.059 0.000 0.845 439 Q CB -0.417 28.353 28.738 0.053 0.000 0.907 439 Q HN 0.174 nan 8.270 nan 0.000 0.439 440 A N 0.268 123.046 122.820 -0.071 0.000 1.929 440 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 440 A C 2.253 179.781 177.584 -0.093 0.000 1.176 440 A CA 1.016 53.011 52.037 -0.069 0.000 0.628 440 A CB -0.730 18.232 19.000 -0.063 0.000 0.816 440 A HN 0.452 nan 8.150 nan 0.000 0.444 441 C N -1.524 117.682 119.300 -0.158 0.000 2.446 441 C HA -0.040 4.420 4.460 -0.000 0.000 0.277 441 C C 3.076 177.948 174.990 -0.197 0.000 1.275 441 C CA 1.022 59.936 59.018 -0.174 0.000 1.727 441 C CB -1.253 26.344 27.740 -0.238 0.000 2.010 441 C HN 0.698 nan 8.230 nan 0.000 0.486 442 R N 0.946 121.298 120.500 -0.247 0.000 2.096 442 R HA -0.146 4.194 4.340 -0.000 0.000 0.240 442 R C 1.881 178.130 176.300 -0.084 0.000 1.139 442 R CA 2.278 58.274 56.100 -0.172 0.000 0.952 442 R CB -0.943 29.306 30.300 -0.086 0.000 0.854 442 R HN 0.785 nan 8.270 nan 0.000 0.436 443 E N 0.043 120.208 120.200 -0.059 0.000 2.001 443 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 443 E C 2.330 178.908 176.600 -0.036 0.000 0.994 443 E CA 1.723 58.102 56.400 -0.034 0.000 0.815 443 E CB -0.355 29.331 29.700 -0.023 0.000 0.770 443 E HN 0.350 nan 8.360 nan 0.000 0.453 444 L N 0.953 122.152 121.223 -0.039 0.000 2.064 444 L HA -0.293 4.047 4.340 -0.000 0.000 0.216 444 L C 2.565 179.416 176.870 -0.031 0.000 1.077 444 L CA 1.147 55.969 54.840 -0.031 0.000 0.766 444 L CB -0.627 41.414 42.059 -0.030 0.000 0.890 444 L HN 0.235 nan 8.230 nan 0.000 0.435 445 L N -1.153 120.043 121.223 -0.045 0.000 2.044 445 L HA -0.190 4.150 4.340 -0.000 0.000 0.205 445 L C 2.806 179.658 176.870 -0.030 0.000 1.075 445 L CA 1.078 55.894 54.840 -0.041 0.000 0.747 445 L CB -0.629 41.393 42.059 -0.061 0.000 0.903 445 L HN 0.373 nan 8.230 nan 0.000 0.435 446 Q N 1.521 121.302 119.800 -0.031 0.000 2.030 446 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 446 Q C 1.140 177.132 176.000 -0.013 0.000 0.986 446 Q CA 1.962 57.754 55.803 -0.019 0.000 0.843 446 Q CB -0.062 28.667 28.738 -0.015 0.000 0.904 446 Q HN 0.712 nan 8.270 nan 0.000 0.420 447 E N 0.980 121.171 120.200 -0.014 0.000 2.351 447 E HA 0.131 4.481 4.350 -0.000 0.000 0.236 447 E C -0.808 175.786 176.600 -0.010 0.000 1.341 447 E CA -0.300 56.094 56.400 -0.010 0.000 1.579 447 E CB -0.557 29.138 29.700 -0.009 0.000 1.393 447 E HN 0.043 nan 8.360 nan 0.000 0.438 448 K N 0.712 121.106 120.400 -0.011 0.000 4.087 448 K HA -0.212 4.108 4.320 -0.000 0.000 0.326 448 K C 0.274 176.869 176.600 -0.009 0.000 0.766 448 K CA 0.491 56.772 56.287 -0.010 0.000 0.874 448 K CB -0.427 32.069 32.500 -0.007 0.000 1.805 448 K HN 0.564 nan 8.250 nan 0.000 0.371 449 A N 1.089 123.903 122.820 -0.010 0.000 2.653 449 A HA 0.407 4.727 4.320 -0.000 0.000 0.248 449 A C 0.237 177.817 177.584 -0.007 0.000 1.211 449 A CA 0.184 52.217 52.037 -0.008 0.000 0.991 449 A CB 0.647 19.642 19.000 -0.009 0.000 1.252 449 A HN 0.471 nan 8.150 nan 0.000 0.593 450 L N -0.235 120.983 121.223 -0.008 0.000 2.334 450 L HA 0.941 5.281 4.340 -0.000 0.000 0.276 450 L C 0.712 177.579 176.870 -0.005 0.000 1.014 450 L CA -0.673 54.163 54.840 -0.007 0.000 0.815 450 L CB 0.058 42.112 42.059 -0.008 0.000 1.268 450 L HN 1.027 nan 8.230 nan 0.000 0.428 451 A N 1.599 124.417 122.820 -0.004 0.000 2.577 451 A HA 0.427 4.747 4.320 -0.000 0.000 0.233 451 A C 1.748 179.330 177.584 -0.003 0.000 1.076 451 A CA 0.615 52.650 52.037 -0.003 0.000 0.767 451 A CB -0.443 18.555 19.000 -0.003 0.000 1.017 451 A HN 2.385 nan 8.150 nan 0.000 0.511 452 G N 0.283 109.082 108.800 -0.002 0.000 2.446 452 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 452 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 452 G C 1.789 176.689 174.900 -0.001 0.000 1.168 452 G CA 1.949 47.048 45.100 -0.001 0.000 0.771 452 G HN 1.200 nan 8.290 nan 0.000 0.551 453 R N 0.442 120.941 120.500 -0.001 0.000 2.070 453 R HA 0.254 4.594 4.340 -0.000 0.000 0.233 453 R C 2.933 179.232 176.300 -0.001 0.000 1.137 453 R CA 1.790 57.889 56.100 -0.001 0.000 0.945 453 R CB -1.618 28.680 30.300 -0.003 0.000 0.845 453 R HN 0.569 nan 8.270 nan 0.000 0.430 454 A N 1.808 124.627 122.820 -0.003 0.000 1.828 454 A HA 0.238 4.558 4.320 -0.000 0.000 0.215 454 A C 2.838 180.422 177.584 0.000 0.000 1.203 454 A CA 2.123 54.158 52.037 -0.003 0.000 0.614 454 A CB -1.525 17.473 19.000 -0.004 0.000 0.844 454 A HN 0.954 nan 8.150 nan 0.000 0.445 455 A N -0.910 121.910 122.820 -0.001 0.000 2.009 455 A HA -0.202 4.118 4.320 -0.000 0.000 0.222 455 A C 2.437 180.022 177.584 0.002 0.000 1.175 455 A CA 2.500 54.535 52.037 -0.002 0.000 0.651 455 A CB -0.914 18.082 19.000 -0.006 0.000 0.815 455 A HN 0.629 nan 8.150 nan 0.000 0.459 456 S N -1.558 114.145 115.700 0.005 0.000 2.461 456 S HA 0.229 4.699 4.470 -0.000 0.000 0.228 456 S C 1.889 176.501 174.600 0.019 0.000 1.005 456 S CA 1.147 59.353 58.200 0.009 0.000 0.942 456 S CB -0.297 62.907 63.200 0.008 0.000 0.776 456 S HN 0.775 nan 8.310 nan 0.000 0.514 457 A N 1.096 123.927 122.820 0.019 0.000 1.887 457 A HA 0.244 4.564 4.320 -0.000 0.000 0.212 457 A C 1.949 179.568 177.584 0.057 0.000 1.198 457 A CA 0.835 52.890 52.037 0.030 0.000 0.628 457 A CB -0.877 18.129 19.000 0.009 0.000 0.847 457 A HN 0.492 nan 8.150 nan 0.000 0.449 458 L N 0.310 121.558 121.223 0.043 0.000 1.971 458 L HA -0.252 4.088 4.340 -0.000 0.000 0.215 458 L C 2.518 179.446 176.870 0.096 0.000 1.072 458 L CA 2.861 57.745 54.840 0.074 0.000 0.758 458 L CB -0.911 41.171 42.059 0.039 0.000 0.889 458 L HN 0.616 nan 8.230 nan 0.000 0.433 459 Q N -0.646 119.171 119.800 0.027 0.000 2.084 459 Q HA -0.289 4.051 4.340 -0.000 0.000 0.202 459 Q C 2.469 178.485 176.000 0.026 0.000 0.978 459 Q CA 1.858 57.654 55.803 -0.012 0.000 0.844 459 Q CB -0.265 28.461 28.738 -0.021 0.000 0.898 459 Q HN 0.531 nan 8.270 nan 0.000 0.426 460 R N -0.571 119.965 120.500 0.060 0.000 2.139 460 R HA -0.201 4.139 4.340 -0.000 0.000 0.243 460 R C 2.038 178.415 176.300 0.129 0.000 1.145 460 R CA 1.635 57.782 56.100 0.077 0.000 0.976 460 R CB -0.351 29.994 30.300 0.075 0.000 0.866 460 R HN 0.379 nan 8.270 nan 0.000 0.449 461 F N 0.518 120.472 119.950 0.008 0.000 2.149 461 F HA -0.014 4.513 4.527 -0.000 0.000 0.294 461 F C 1.915 177.765 175.800 0.084 0.000 1.095 461 F CA 1.376 59.396 58.000 0.034 0.000 1.276 461 F CB -0.258 38.734 39.000 -0.012 0.000 1.023 461 F HN -0.075 nan 8.300 nan 0.000 0.480 462 M N 0.235 119.734 119.600 -0.168 0.000 2.202 462 M HA -0.197 4.283 4.480 -0.000 0.000 0.262 462 M C 1.898 178.194 176.300 -0.007 0.000 1.063 462 M CA 1.794 56.931 55.300 -0.273 0.000 1.097 462 M CB -0.561 31.723 32.600 -0.527 0.000 1.382 462 M HN 0.235 nan 8.290 nan 0.000 0.413 463 E N 0.414 120.605 120.200 -0.015 0.000 2.072 463 E HA -0.185 4.165 4.350 -0.000 0.000 0.190 463 E C 1.971 178.586 176.600 0.025 0.000 0.982 463 E CA 0.973 57.391 56.400 0.029 0.000 0.803 463 E CB -0.252 29.463 29.700 0.026 0.000 0.755 463 E HN 0.332 nan 8.360 nan 0.000 0.453 464 L N 1.521 122.745 121.223 0.001 0.000 2.012 464 L HA -0.187 4.152 4.340 -0.000 0.000 0.210 464 L C 2.060 178.934 176.870 0.006 0.000 1.073 464 L CA 1.638 56.489 54.840 0.018 0.000 0.748 464 L CB -0.350 41.748 42.059 0.065 0.000 0.891 464 L HN 0.099 nan 8.230 nan 0.000 0.431 465 I N -0.257 120.275 120.570 -0.063 0.000 2.163 465 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 465 I C 2.169 178.289 176.117 0.005 0.000 1.085 465 I CA 1.578 62.858 61.300 -0.033 0.000 1.347 465 I CB -0.691 37.256 38.000 -0.089 0.000 1.044 465 I HN 0.340 nan 8.210 nan 0.000 0.408 466 D N 1.152 121.583 120.400 0.052 0.000 2.123 466 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 466 D C 2.226 178.538 176.300 0.021 0.000 0.992 466 D CA 1.673 55.698 54.000 0.042 0.000 0.833 466 D CB -0.144 40.710 40.800 0.091 0.000 0.954 466 D HN 0.381 nan 8.370 nan 0.000 0.455 467 A N 1.355 124.190 122.820 0.025 0.000 1.841 467 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 467 A C 2.494 180.083 177.584 0.008 0.000 1.199 467 A CA 1.191 53.238 52.037 0.016 0.000 0.621 467 A CB -1.045 17.967 19.000 0.019 0.000 0.835 467 A HN 0.196 nan 8.150 nan 0.000 0.445 468 L N -0.706 120.526 121.223 0.014 0.000 2.051 468 L HA -0.298 4.042 4.340 -0.000 0.000 0.214 468 L C 3.119 179.988 176.870 -0.002 0.000 1.076 468 L CA 1.297 56.143 54.840 0.010 0.000 0.758 468 L CB -0.786 41.296 42.059 0.038 0.000 0.890 468 L HN 0.496 nan 8.230 nan 0.000 0.433 469 A N 0.676 123.491 122.820 -0.008 0.000 1.859 469 A HA -0.305 4.015 4.320 -0.000 0.000 0.217 469 A C 2.271 179.841 177.584 -0.023 0.000 1.198 469 A CA 2.283 54.304 52.037 -0.026 0.000 0.629 469 A CB -0.727 18.245 19.000 -0.046 0.000 0.830 469 A HN 0.667 nan 8.150 nan 0.000 0.446 470 Q N -1.109 118.681 119.800 -0.016 0.000 2.137 470 Q HA -0.051 4.289 4.340 -0.000 0.000 0.198 470 Q C 1.646 177.638 176.000 -0.014 0.000 0.960 470 Q CA 1.185 56.980 55.803 -0.013 0.000 0.847 470 Q CB -0.432 28.302 28.738 -0.007 0.000 0.915 470 Q HN 0.720 nan 8.270 nan 0.000 0.448 471 E N 0.467 120.660 120.200 -0.012 0.000 2.209 471 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 471 E C 1.257 177.844 176.600 -0.023 0.000 0.993 471 E CA 1.523 57.914 56.400 -0.014 0.000 0.819 471 E CB 0.059 29.752 29.700 -0.012 0.000 0.745 471 E HN 0.350 nan 8.360 nan 0.000 0.477 472 T N -1.285 113.253 114.554 -0.027 0.000 3.085 472 T HA 0.349 4.699 4.350 -0.000 0.000 0.264 472 T C 1.265 175.942 174.700 -0.038 0.000 1.019 472 T CA 0.441 62.518 62.100 -0.038 0.000 0.910 472 T CB 0.240 69.081 68.868 -0.044 0.000 1.059 472 T HN 0.151 nan 8.240 nan 0.000 0.542 473 A N 0.704 123.506 122.820 -0.030 0.000 2.067 473 A HA 0.181 4.501 4.320 -0.000 0.000 0.219 473 A C 1.735 179.304 177.584 -0.025 0.000 1.158 473 A CA 1.607 53.627 52.037 -0.027 0.000 0.661 473 A CB -0.677 18.309 19.000 -0.023 0.000 0.801 473 A HN 0.656 nan 8.150 nan 0.000 0.452 474 D N -0.353 120.032 120.400 -0.025 0.000 2.525 474 D HA 0.536 5.176 4.640 -0.000 0.000 0.229 474 D C 0.360 176.644 176.300 -0.027 0.000 1.202 474 D CA 0.325 54.313 54.000 -0.021 0.000 0.828 474 D CB -0.626 40.165 40.800 -0.015 0.000 1.008 474 D HN 0.692 nan 8.370 nan 0.000 0.493 475 M N -2.886 116.689 119.600 -0.042 0.000 2.658 475 M HA 0.765 5.245 4.480 -0.000 0.000 0.295 475 M C -3.058 173.198 176.300 -0.074 0.000 1.248 475 M CA -1.997 53.266 55.300 -0.061 0.000 0.843 475 M CB 1.427 33.976 32.600 -0.085 0.000 1.749 475 M HN -0.321 nan 8.290 nan 0.000 0.464 476 P HA 0.026 nan 4.420 nan 0.000 0.269 476 P C 0.507 177.732 177.300 -0.124 0.000 1.217 476 P CA -0.469 62.587 63.100 -0.073 0.000 0.783 476 P CB 0.457 32.124 31.700 -0.054 0.000 0.898 477 L N 2.639 123.851 121.223 -0.018 0.000 1.956 477 L HA -0.254 4.086 4.340 -0.000 0.000 0.216 477 L C 2.472 179.275 176.870 -0.112 0.000 1.073 477 L CA 2.090 56.887 54.840 -0.071 0.000 0.762 477 L CB -1.467 40.554 42.059 -0.064 0.000 0.889 477 L HN 0.582 nan 8.230 nan 0.000 0.433 478 H N -1.515 117.488 119.070 -0.111 0.000 2.387 478 H HA -0.092 4.464 4.556 0.000 0.000 0.299 478 H C 2.059 177.349 175.328 -0.065 0.000 1.099 478 H CA 1.984 57.975 56.048 -0.095 0.000 1.315 478 H CB -1.406 28.324 29.762 -0.054 0.000 1.380 478 H HN 0.330 nan 8.280 nan 0.000 0.513 479 V N 1.565 120.979 119.914 -0.832 0.000 2.407 479 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 479 V C 2.992 178.942 176.094 -0.239 0.000 1.055 479 V CA 2.098 64.096 62.300 -0.503 0.000 1.049 479 V CB -0.808 30.724 31.823 -0.486 0.000 0.662 479 V HN 0.431 nan 8.190 nan 0.000 0.455 480 Q N -0.179 119.497 119.800 -0.207 0.000 2.119 480 Q HA -0.186 4.154 4.340 -0.000 0.000 0.201 480 Q C 2.222 178.162 176.000 -0.101 0.000 0.972 480 Q CA 2.161 57.889 55.803 -0.126 0.000 0.847 480 Q CB -0.145 28.527 28.738 -0.109 0.000 0.903 480 Q HN 0.648 nan 8.270 nan 0.000 0.433 481 T N 0.662 115.149 114.554 -0.112 0.000 2.668 481 T HA -0.179 4.171 4.350 -0.000 0.000 0.262 481 T C 1.247 175.915 174.700 -0.053 0.000 1.045 481 T CA 1.512 63.564 62.100 -0.080 0.000 1.152 481 T CB -0.561 68.250 68.868 -0.096 0.000 0.864 481 T HN 0.499 nan 8.240 nan 0.000 0.419 482 D N 0.500 120.870 120.400 -0.050 0.000 2.116 482 D HA -0.169 4.471 4.640 -0.000 0.000 0.193 482 D C 2.487 178.761 176.300 -0.043 0.000 0.998 482 D CA 1.388 55.370 54.000 -0.030 0.000 0.836 482 D CB -0.012 40.775 40.800 -0.022 0.000 0.951 482 D HN 0.032 nan 8.370 nan 0.000 0.449 483 R N -0.592 119.872 120.500 -0.059 0.000 2.082 483 R HA -0.104 4.235 4.340 -0.000 0.000 0.234 483 R C 2.463 178.728 176.300 -0.059 0.000 1.136 483 R CA 1.580 57.647 56.100 -0.056 0.000 0.935 483 R CB -1.277 28.986 30.300 -0.061 0.000 0.842 483 R HN 0.279 nan 8.270 nan 0.000 0.430 484 V N 1.086 120.964 119.914 -0.060 0.000 2.469 484 V HA -0.187 3.933 4.120 -0.000 0.000 0.251 484 V C 2.420 178.433 176.094 -0.134 0.000 1.064 484 V CA 2.219 64.474 62.300 -0.076 0.000 1.066 484 V CB -0.554 31.252 31.823 -0.029 0.000 0.667 484 V HN 0.460 nan 8.190 nan 0.000 0.461 485 I N 0.227 120.744 120.570 -0.087 0.000 2.315 485 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 485 I C 2.789 178.855 176.117 -0.085 0.000 1.117 485 I CA 1.731 62.982 61.300 -0.081 0.000 1.404 485 I CB -0.570 37.417 38.000 -0.022 0.000 1.071 485 I HN 0.396 nan 8.210 nan 0.000 0.419 486 K N 0.321 120.681 120.400 -0.066 0.000 2.005 486 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 486 K C 1.694 178.252 176.600 -0.070 0.000 1.044 486 K CA 1.651 57.906 56.287 -0.052 0.000 0.942 486 K CB -1.015 31.464 32.500 -0.034 0.000 0.727 486 K HN 0.239 nan 8.250 nan 0.000 0.439 487 D N 0.978 121.334 120.400 -0.074 0.000 2.264 487 D HA -0.115 4.525 4.640 -0.000 0.000 0.208 487 D C 2.138 178.380 176.300 -0.095 0.000 0.966 487 D CA 1.814 55.776 54.000 -0.064 0.000 0.864 487 D CB 0.009 40.783 40.800 -0.043 0.000 0.933 487 D HN 0.576 nan 8.370 nan 0.000 0.499 488 S N -0.693 114.882 115.700 -0.208 0.000 2.453 488 S HA 0.099 4.569 4.470 -0.000 0.000 0.231 488 S C 1.911 176.380 174.600 -0.219 0.000 1.005 488 S CA 1.125 59.098 58.200 -0.377 0.000 0.949 488 S CB 0.205 62.757 63.200 -1.081 0.000 0.774 488 S HN 0.337 nan 8.310 nan 0.000 0.510 489 G N 1.145 109.854 108.800 -0.151 0.000 2.232 489 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.226 489 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.226 489 G C 0.728 175.571 174.900 -0.095 0.000 0.996 489 G CA 0.201 45.249 45.100 -0.087 0.000 0.626 489 G HN 0.460 nan 8.290 nan 0.000 0.509 490 L N 0.329 121.476 121.223 -0.127 0.000 2.051 490 L HA -0.199 4.141 4.340 -0.000 0.000 0.214 490 L C 3.138 180.038 176.870 0.050 0.000 1.076 490 L CA 2.614 57.422 54.840 -0.052 0.000 0.758 490 L CB -0.755 41.319 42.059 0.025 0.000 0.890 490 L HN 0.388 nan 8.230 nan 0.000 0.433 491 R N -0.263 120.259 120.500 0.038 0.000 2.082 491 R HA -0.174 4.166 4.340 -0.000 0.000 0.234 491 R C 2.328 178.656 176.300 0.047 0.000 1.136 491 R CA 2.262 58.403 56.100 0.068 0.000 0.935 491 R CB -1.400 28.913 30.300 0.022 0.000 0.842 491 R HN 0.515 nan 8.270 nan 0.000 0.430 492 T N 1.022 115.575 114.554 -0.001 0.000 2.720 492 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 492 T C 1.833 176.514 174.700 -0.032 0.000 1.037 492 T CA 1.977 64.070 62.100 -0.012 0.000 1.144 492 T CB -0.401 68.452 68.868 -0.025 0.000 0.864 492 T HN 0.467 nan 8.240 nan 0.000 0.444 493 M N -0.096 119.451 119.600 -0.088 0.000 2.067 493 M HA -0.131 4.349 4.480 -0.000 0.000 0.260 493 M C 1.804 177.998 176.300 -0.177 0.000 1.069 493 M CA 1.821 57.012 55.300 -0.182 0.000 1.117 493 M CB -0.274 32.128 32.600 -0.330 0.000 1.334 493 M HN 0.307 nan 8.290 nan 0.000 0.407 494 Y N 0.405 120.700 120.300 -0.008 0.000 2.497 494 Y HA -0.129 4.421 4.550 0.000 0.000 0.292 494 Y C 2.138 178.035 175.900 -0.005 0.000 1.137 494 Y CA 0.997 59.093 58.100 -0.006 0.000 1.285 494 Y CB -0.118 38.338 38.460 -0.007 0.000 0.991 494 Y HN 0.408 nan 8.280 nan 0.000 0.556 495 E N -0.163 120.107 120.200 0.117 0.000 2.158 495 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 495 E C 1.766 178.392 176.600 0.044 0.000 0.982 495 E CA 0.899 57.341 56.400 0.071 0.000 0.823 495 E CB -0.016 29.711 29.700 0.045 0.000 0.766 495 E HN 0.626 nan 8.360 nan 0.000 0.468 496 Q N 0.622 120.437 119.800 0.025 0.000 2.354 496 Q HA 0.015 4.354 4.340 -0.000 0.000 0.203 496 Q C 0.361 176.370 176.000 0.015 0.000 0.933 496 Q CA -0.054 55.755 55.803 0.011 0.000 0.901 496 Q CB 0.188 28.921 28.738 -0.008 0.000 1.007 496 Q HN 0.214 nan 8.270 nan 0.000 0.495 497 E N 2.215 122.431 120.200 0.026 0.000 2.765 497 E HA -0.050 4.300 4.350 -0.000 0.000 0.256 497 E C -0.240 176.384 176.600 0.040 0.000 0.935 497 E CA 0.066 56.489 56.400 0.038 0.000 0.954 497 E CB 0.308 30.072 29.700 0.106 0.000 0.908 497 E HN 0.089 nan 8.360 nan 0.000 0.500 498 K N 3.347 123.762 120.400 0.026 0.000 2.526 498 K HA -0.104 4.216 4.320 -0.000 0.000 0.267 498 K C 0.852 177.467 176.600 0.026 0.000 1.009 498 K CA 0.820 57.120 56.287 0.021 0.000 1.120 498 K CB -0.597 31.913 32.500 0.018 0.000 0.797 498 K HN 0.722 nan 8.250 nan 0.000 0.476 499 G N 1.057 109.869 108.800 0.019 0.000 3.337 499 G HA2 0.311 4.271 3.960 -0.000 0.000 0.226 499 G HA3 0.311 4.271 3.960 -0.000 0.000 0.226 499 G C 1.080 175.989 174.900 0.015 0.000 1.295 499 G CA 0.850 45.961 45.100 0.018 0.000 1.427 499 G HN 1.151 nan 8.290 nan 0.000 0.535 500 E N -1.413 118.798 120.200 0.018 0.000 2.452 500 E HA 0.471 4.821 4.350 -0.000 0.000 0.197 500 E C 1.542 178.150 176.600 0.013 0.000 1.022 500 E CA 1.351 57.759 56.400 0.013 0.000 0.890 500 E CB -0.387 29.321 29.700 0.013 0.000 0.918 500 E HN 0.790 nan 8.360 nan 0.000 0.496 501 K N -1.602 118.810 120.400 0.020 0.000 1.999 501 K HA 0.338 4.658 4.320 -0.000 0.000 0.135 501 K C 1.986 178.601 176.600 0.025 0.000 1.975 501 K CA 0.906 57.203 56.287 0.016 0.000 0.980 501 K CB -1.363 31.144 32.500 0.012 0.000 2.013 501 K HN 0.681 nan 8.250 nan 0.000 0.408 502 G N 1.139 109.965 108.800 0.043 0.000 2.469 502 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.219 502 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.219 502 G C 1.609 176.537 174.900 0.047 0.000 1.150 502 G CA 1.694 46.836 45.100 0.069 0.000 0.763 502 G HN 0.627 nan 8.290 nan 0.000 0.561 503 Q N 1.045 120.862 119.800 0.028 0.000 2.002 503 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 503 Q C 2.768 178.770 176.000 0.004 0.000 0.988 503 Q CA 3.071 58.885 55.803 0.018 0.000 0.843 503 Q CB -1.136 27.610 28.738 0.014 0.000 0.908 503 Q HN 0.499 nan 8.270 nan 0.000 0.420 504 T N -1.270 113.283 114.554 -0.002 0.000 2.685 504 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 504 T C 1.845 176.523 174.700 -0.036 0.000 1.034 504 T CA 1.609 63.702 62.100 -0.010 0.000 1.149 504 T CB -0.425 68.438 68.868 -0.009 0.000 0.860 504 T HN 0.351 nan 8.240 nan 0.000 0.449 505 R N 0.801 121.259 120.500 -0.070 0.000 2.096 505 R HA 0.076 4.416 4.340 -0.000 0.000 0.235 505 R C 2.981 179.176 176.300 -0.175 0.000 1.127 505 R CA 1.639 57.629 56.100 -0.185 0.000 0.968 505 R CB -1.082 29.050 30.300 -0.281 0.000 0.861 505 R HN 0.598 nan 8.270 nan 0.000 0.440 506 I N 0.896 121.426 120.570 -0.066 0.000 2.493 506 I HA -0.122 4.047 4.170 -0.000 0.000 0.254 506 I C 1.893 178.005 176.117 -0.008 0.000 1.160 506 I CA 1.670 62.961 61.300 -0.016 0.000 1.445 506 I CB -0.657 37.362 38.000 0.032 0.000 1.086 506 I HN 0.229 nan 8.210 nan 0.000 0.433 507 E N 0.285 120.482 120.200 -0.006 0.000 2.158 507 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 507 E C 1.957 178.583 176.600 0.044 0.000 0.982 507 E CA 1.321 57.730 56.400 0.014 0.000 0.823 507 E CB -0.269 29.438 29.700 0.010 0.000 0.766 507 E HN 0.843 nan 8.360 nan 0.000 0.468 508 N N 0.885 119.611 118.700 0.043 0.000 2.142 508 N HA -0.097 4.643 4.740 -0.000 0.000 0.186 508 N C 1.989 177.586 175.510 0.145 0.000 1.023 508 N CA 0.552 53.695 53.050 0.155 0.000 0.852 508 N CB -0.021 38.477 38.487 0.018 0.000 0.998 508 N HN 0.051 nan 8.380 nan 0.000 0.424 509 L N 1.425 122.654 121.223 0.009 0.000 2.079 509 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 509 L C 2.190 179.104 176.870 0.074 0.000 1.081 509 L CA 1.270 56.121 54.840 0.019 0.000 0.752 509 L CB -0.379 41.669 42.059 -0.019 0.000 0.896 509 L HN 0.236 nan 8.230 nan 0.000 0.433 510 E N 0.042 120.279 120.200 0.063 0.000 2.051 510 E HA -0.248 4.102 4.350 -0.000 0.000 0.192 510 E C 2.093 178.738 176.600 0.076 0.000 0.991 510 E CA 1.315 57.748 56.400 0.056 0.000 0.799 510 E CB -0.088 29.633 29.700 0.034 0.000 0.748 510 E HN 0.512 nan 8.360 nan 0.000 0.449 511 E N 0.515 120.775 120.200 0.100 0.000 2.160 511 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 511 E C 2.122 178.815 176.600 0.155 0.000 0.991 511 E CA 0.580 57.015 56.400 0.059 0.000 0.810 511 E CB -0.080 29.593 29.700 -0.045 0.000 0.742 511 E HN 0.098 nan 8.360 nan 0.000 0.466 512 L N 0.645 122.071 121.223 0.338 0.000 2.046 512 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 512 L C 2.147 179.128 176.870 0.185 0.000 1.077 512 L CA 1.436 56.496 54.840 0.367 0.000 0.747 512 L CB -0.348 41.867 42.059 0.260 0.000 0.896 512 L HN -0.062 nan 8.230 nan 0.000 0.432 513 V N -0.904 119.077 119.914 0.112 0.000 2.307 513 V HA -0.275 3.845 4.120 -0.000 0.000 0.245 513 V C 2.454 178.590 176.094 0.070 0.000 1.045 513 V CA 2.184 64.528 62.300 0.074 0.000 1.024 513 V CB -1.225 30.639 31.823 0.069 0.000 0.651 513 V HN 0.518 nan 8.190 nan 0.000 0.449 514 T N 0.545 115.131 114.554 0.054 0.000 2.720 514 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 514 T C 2.067 176.792 174.700 0.042 0.000 1.037 514 T CA 1.690 63.802 62.100 0.021 0.000 1.144 514 T CB -0.448 68.417 68.868 -0.006 0.000 0.864 514 T HN 0.574 nan 8.240 nan 0.000 0.444 515 A N 1.854 124.728 122.820 0.090 0.000 1.877 515 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 515 A C 2.651 180.378 177.584 0.237 0.000 1.186 515 A CA 2.300 54.455 52.037 0.197 0.000 0.620 515 A CB -1.303 17.892 19.000 0.325 0.000 0.822 515 A HN 0.632 nan 8.150 nan 0.000 0.443 516 T N -2.368 112.224 114.554 0.064 0.000 2.915 516 T HA -0.130 4.220 4.350 -0.000 0.000 0.269 516 T C 1.922 176.626 174.700 0.007 0.000 1.071 516 T CA 1.250 63.239 62.100 -0.184 0.000 1.132 516 T CB -0.336 68.296 68.868 -0.394 0.000 0.878 516 T HN 0.497 nan 8.240 nan 0.000 0.479 517 R N 0.499 121.007 120.500 0.013 0.000 2.096 517 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 517 R C 2.100 178.351 176.300 -0.082 0.000 1.127 517 R CA 1.163 57.170 56.100 -0.154 0.000 0.968 517 R CB -0.006 30.179 30.300 -0.192 0.000 0.861 517 R HN 0.423 nan 8.270 nan 0.000 0.440 518 Q N -0.168 119.657 119.800 0.042 0.000 1.952 518 Q HA 0.075 4.415 4.340 -0.000 0.000 0.417 518 Q C 0.266 176.391 176.000 0.208 0.000 0.963 518 Q CA 0.116 55.965 55.803 0.078 0.000 0.833 518 Q CB -0.537 28.245 28.738 0.074 0.000 2.051 518 Q HN 0.180 nan 8.270 nan 0.000 0.419 519 F N 0.088 120.071 119.950 0.054 0.000 2.057 519 F HA -0.286 4.241 4.527 0.000 0.000 0.435 519 F C -0.222 175.595 175.800 0.028 0.000 1.192 519 F CA 0.715 58.759 58.000 0.073 0.000 1.395 519 F CB -0.409 38.700 39.000 0.182 0.000 2.318 519 F HN 0.248 nan 8.300 nan 0.000 0.716 527 D N -0.361 120.060 120.400 0.035 0.000 2.424 527 D HA 0.703 5.343 4.640 -0.000 0.000 0.220 527 D C 0.808 177.102 176.300 -0.011 0.000 1.150 527 D CA 0.882 54.895 54.000 0.022 0.000 0.831 527 D CB 0.166 40.982 40.800 0.027 0.000 0.981 527 D HN 1.917 nan 8.370 nan 0.000 0.500 528 L N -1.242 119.980 121.223 -0.001 0.000 2.622 528 L HA 0.818 5.158 4.340 -0.000 0.000 0.258 528 L C -0.234 176.644 176.870 0.013 0.000 0.996 528 L CA -1.187 53.640 54.840 -0.022 0.000 0.858 528 L CB 1.340 43.380 42.059 -0.032 0.000 1.449 528 L HN 0.112 nan 8.230 nan 0.000 0.411 529 M N 1.422 121.021 119.600 -0.001 0.000 2.243 529 M HA 0.309 4.789 4.480 -0.000 0.000 0.341 529 M C -1.141 175.197 176.300 0.063 0.000 1.130 529 M CA -2.266 53.047 55.300 0.022 0.000 1.162 529 M CB 0.570 33.167 32.600 -0.004 0.000 1.497 529 M HN 0.566 nan 8.290 nan 0.000 0.456 530 P HA -0.190 nan 4.420 nan 0.000 0.218 530 P C 1.702 179.056 177.300 0.091 0.000 1.154 530 P CA 1.383 64.580 63.100 0.162 0.000 0.872 530 P CB 0.113 31.890 31.700 0.127 0.000 0.790 531 L N -1.464 119.766 121.223 0.012 0.000 2.109 531 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 531 L C 2.129 179.005 176.870 0.009 0.000 1.086 531 L CA 1.599 56.420 54.840 -0.031 0.000 0.760 531 L CB -0.340 41.691 42.059 -0.047 0.000 0.910 531 L HN -0.090 nan 8.230 nan 0.000 0.437 532 Q N -0.646 119.157 119.800 0.005 0.000 2.311 532 Q HA -0.023 4.317 4.340 -0.000 0.000 0.203 532 Q C 2.096 178.112 176.000 0.026 0.000 0.954 532 Q CA 1.301 57.093 55.803 -0.018 0.000 0.885 532 Q CB -0.167 28.526 28.738 -0.074 0.000 0.963 532 Q HN 0.557 nan 8.270 nan 0.000 0.471 533 A N -0.449 122.434 122.820 0.105 0.000 1.930 533 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 533 A C 1.812 179.539 177.584 0.238 0.000 1.176 533 A CA 0.686 52.855 52.037 0.221 0.000 0.632 533 A CB -0.587 18.627 19.000 0.355 0.000 0.819 533 A HN 0.430 nan 8.150 nan 0.000 0.445 534 F N 0.596 120.426 119.950 -0.201 0.000 2.113 534 F HA -0.064 4.463 4.527 -0.000 0.000 0.297 534 F C 1.894 177.521 175.800 -0.288 0.000 1.103 534 F CA 1.490 59.111 58.000 -0.631 0.000 1.248 534 F CB -0.161 38.269 39.000 -0.950 0.000 0.999 534 F HN 0.120 nan 8.300 nan 0.000 0.475 535 L N -0.039 121.180 121.223 -0.007 0.000 2.017 535 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 535 L C 2.763 179.540 176.870 -0.155 0.000 1.073 535 L CA 1.672 56.470 54.840 -0.069 0.000 0.745 535 L CB -1.051 41.009 42.059 0.001 0.000 0.894 535 L HN 0.317 nan 8.230 nan 0.000 0.432 536 S N -1.638 114.003 115.700 -0.099 0.000 2.402 536 S HA -0.262 4.208 4.470 -0.000 0.000 0.229 536 S C 2.040 176.524 174.600 -0.193 0.000 1.021 536 S CA 1.075 59.193 58.200 -0.136 0.000 0.974 536 S CB -0.681 62.456 63.200 -0.104 0.000 0.800 536 S HN 0.524 nan 8.310 nan 0.000 0.484 537 H N 2.075 120.993 119.070 -0.253 0.000 2.357 537 H HA 0.155 4.711 4.556 -0.000 0.000 0.301 537 H C 2.181 177.268 175.328 -0.403 0.000 1.082 537 H CA 1.524 57.419 56.048 -0.255 0.000 1.342 537 H CB -0.663 29.021 29.762 -0.129 0.000 1.389 537 H HN 0.503 nan 8.280 nan 0.000 0.511 538 A N 0.797 123.261 122.820 -0.593 0.000 2.070 538 A HA 0.007 4.327 4.320 -0.000 0.000 0.220 538 A C 2.569 179.902 177.584 -0.417 0.000 1.159 538 A CA 1.491 52.991 52.037 -0.894 0.000 0.656 538 A CB -0.693 17.572 19.000 -1.226 0.000 0.800 538 A HN 0.595 nan 8.150 nan 0.000 0.453 539 A N -0.503 122.162 122.820 -0.259 0.000 1.871 539 A HA 0.245 4.565 4.320 -0.000 0.000 0.211 539 A C 2.049 179.656 177.584 0.039 0.000 1.207 539 A CA 0.940 52.955 52.037 -0.037 0.000 0.620 539 A CB -0.491 18.500 19.000 -0.015 0.000 0.860 539 A HN 0.378 nan 8.150 nan 0.000 0.450 540 L N -0.610 120.555 121.223 -0.097 0.000 2.093 540 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 540 L C 1.362 178.070 176.870 -0.270 0.000 1.085 540 L CA 1.217 55.958 54.840 -0.164 0.000 0.755 540 L CB -0.212 41.717 42.059 -0.216 0.000 0.904 540 L HN 0.423 nan 8.230 nan 0.000 0.435 541 E N -0.680 119.300 120.200 -0.367 0.000 2.736 541 E HA 0.191 4.541 4.350 -0.000 0.000 0.208 541 E C 1.462 177.917 176.600 -0.241 0.000 0.996 541 E CA 0.071 56.270 56.400 -0.335 0.000 1.104 541 E CB 0.636 30.041 29.700 -0.492 0.000 1.111 541 E HN 0.296 nan 8.360 nan 0.000 0.455 542 A N 0.755 123.469 122.820 -0.175 0.000 1.917 542 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 542 A C 2.251 179.786 177.584 -0.083 0.000 1.182 542 A CA 1.939 53.955 52.037 -0.035 0.000 0.633 542 A CB -0.961 18.038 19.000 -0.002 0.000 0.819 542 A HN 0.458 nan 8.150 nan 0.000 0.448 543 G N -0.777 107.857 108.800 -0.278 0.000 2.485 543 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.221 543 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.221 543 G C 1.347 175.764 174.900 -0.805 0.000 1.115 543 G CA 1.013 45.638 45.100 -0.792 0.000 0.751 543 G HN 0.522 nan 8.290 nan 0.000 0.567 544 E N 0.549 120.667 120.200 -0.136 0.000 2.274 544 E HA 0.108 4.458 4.350 -0.000 0.000 0.194 544 E C 1.979 178.651 176.600 0.119 0.000 0.996 544 E CA 0.633 57.136 56.400 0.172 0.000 0.840 544 E CB -0.365 29.482 29.700 0.246 0.000 0.772 544 E HN 0.430 nan 8.360 nan 0.000 0.491 545 G N 1.342 110.219 108.800 0.129 0.000 2.575 545 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.267 545 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.267 545 G C -0.348 174.622 174.900 0.117 0.000 1.264 545 G CA 0.118 45.283 45.100 0.108 0.000 0.935 545 G HN 0.300 nan 8.290 nan 0.000 0.568 546 Q N 0.442 120.161 119.800 -0.134 0.000 2.361 546 Q HA 0.489 4.829 4.340 -0.000 0.000 0.276 546 Q C 0.940 176.937 176.000 -0.005 0.000 1.022 546 Q CA 0.165 55.860 55.803 -0.180 0.000 0.898 546 Q CB 0.659 29.111 28.738 -0.477 0.000 1.246 546 Q HN 1.349 nan 8.270 nan 0.000 0.410 547 A N 2.376 125.237 122.820 0.070 0.000 2.565 547 A HA -0.043 4.277 4.320 -0.000 0.000 0.237 547 A C -0.171 177.419 177.584 0.010 0.000 1.053 547 A CA -0.118 51.964 52.037 0.075 0.000 0.755 547 A CB 0.080 19.128 19.000 0.079 0.000 0.980 547 A HN 0.737 nan 8.150 nan 0.000 0.506 548 D N 0.854 121.266 120.400 0.020 0.000 2.304 548 D HA 0.464 5.104 4.640 -0.000 0.000 0.247 548 D C 1.029 177.325 176.300 -0.006 0.000 1.089 548 D CA 0.606 54.598 54.000 -0.014 0.000 0.910 548 D CB 0.911 41.709 40.800 -0.003 0.000 1.199 548 D HN 0.696 nan 8.370 nan 0.000 0.426 549 T N 0.168 114.698 114.554 -0.040 0.000 2.833 549 T HA 0.141 4.491 4.350 -0.000 0.000 0.292 549 T C 1.285 175.992 174.700 0.013 0.000 1.031 549 T CA -0.637 61.459 62.100 -0.006 0.000 0.937 549 T CB 0.454 69.284 68.868 -0.064 0.000 1.256 549 T HN 0.716 nan 8.240 nan 0.000 0.551 550 W N -0.253 121.035 121.300 -0.019 0.000 2.770 550 W HA 0.173 4.833 4.660 -0.000 0.000 0.256 550 W C -0.030 176.483 176.519 -0.010 0.000 1.291 550 W CA -0.575 56.763 57.345 -0.011 0.000 1.396 550 W CB -0.814 28.641 29.460 -0.008 0.000 1.114 550 W HN 0.588 nan 8.180 nan 0.000 0.637 551 Q N 2.388 121.509 119.800 -1.131 0.000 2.348 551 Q HA -0.142 4.198 4.340 -0.000 0.000 0.331 551 Q C -0.395 175.192 176.000 -0.689 0.000 1.099 551 Q CA 0.635 55.727 55.803 -1.186 0.000 1.021 551 Q CB 0.359 28.704 28.738 -0.655 0.000 1.166 551 Q HN -0.042 nan 8.270 nan 0.000 0.393 552 D N 0.945 120.953 120.400 -0.654 0.000 2.417 552 D HA 0.372 5.012 4.640 -0.000 0.000 0.250 552 D C -1.267 174.921 176.300 -0.188 0.000 1.166 552 D CA 0.274 54.099 54.000 -0.292 0.000 0.881 552 D CB 0.497 41.183 40.800 -0.190 0.000 1.164 552 D HN 0.544 nan 8.370 nan 0.000 0.467 553 A N 2.923 125.682 122.820 -0.102 0.000 2.604 553 A HA 0.496 4.816 4.320 -0.000 0.000 0.295 553 A C -1.022 176.560 177.584 -0.004 0.000 1.067 553 A CA -0.827 51.171 52.037 -0.065 0.000 0.683 553 A CB 1.139 20.067 19.000 -0.120 0.000 1.281 553 A HN 0.336 nan 8.150 nan 0.000 0.407 554 V N 2.665 122.593 119.914 0.024 0.000 2.655 554 V HA 0.163 4.283 4.120 -0.000 0.000 0.300 554 V C -0.062 176.041 176.094 0.014 0.000 1.044 554 V CA -0.023 62.286 62.300 0.014 0.000 1.095 554 V CB 0.992 32.822 31.823 0.012 0.000 0.952 554 V HN 0.782 nan 8.190 nan 0.000 0.485 555 Q N 4.435 124.194 119.800 -0.069 0.000 2.303 555 Q HA 0.521 4.861 4.340 -0.000 0.000 0.257 555 Q C -1.144 174.794 176.000 -0.103 0.000 0.941 555 Q CA -0.579 55.175 55.803 -0.082 0.000 0.931 555 Q CB 1.735 30.373 28.738 -0.166 0.000 1.215 555 Q HN 0.452 nan 8.270 nan 0.000 0.437 556 L N 4.297 125.536 121.223 0.027 0.000 2.341 556 L HA 0.647 4.987 4.340 -0.000 0.000 0.278 556 L C 0.010 176.925 176.870 0.075 0.000 1.005 556 L CA -0.183 54.705 54.840 0.080 0.000 0.818 556 L CB 1.482 43.678 42.059 0.229 0.000 1.259 556 L HN 0.680 nan 8.230 nan 0.000 0.418 557 M N -0.107 119.380 119.600 -0.189 0.000 2.853 557 M HA 0.483 4.963 4.480 -0.000 0.000 0.273 557 M C -0.681 175.170 176.300 -0.748 0.000 1.128 557 M CA -0.800 54.378 55.300 -0.203 0.000 0.814 557 M CB 1.737 34.331 32.600 -0.011 0.000 1.667 557 M HN 0.449 nan 8.290 nan 0.000 0.519 558 T N -0.549 113.773 114.554 -0.387 0.000 2.766 558 T HA 0.393 4.743 4.350 -0.000 0.000 0.295 558 T C 1.089 175.648 174.700 -0.235 0.000 1.024 558 T CA -0.597 61.295 62.100 -0.346 0.000 1.018 558 T CB 0.713 69.598 68.868 0.027 0.000 1.002 558 T HN 0.681 nan 8.240 nan 0.000 0.532 559 L N 0.116 121.211 121.223 -0.214 0.000 2.131 559 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 559 L C 2.767 179.556 176.870 -0.134 0.000 1.092 559 L CA 1.477 56.193 54.840 -0.207 0.000 0.759 559 L CB -0.778 41.093 42.059 -0.313 0.000 0.903 559 L HN 0.785 nan 8.230 nan 0.000 0.435 560 H N -1.044 117.987 119.070 -0.065 0.000 2.270 560 H HA -0.130 4.426 4.556 0.000 0.000 0.299 560 H C 2.545 177.924 175.328 0.085 0.000 1.077 560 H CA 1.886 57.946 56.048 0.019 0.000 1.294 560 H CB -0.150 29.672 29.762 0.100 0.000 1.371 560 H HN 0.131 nan 8.280 nan 0.000 0.491 561 S N -0.171 115.655 115.700 0.210 0.000 2.440 561 S HA -0.146 4.324 4.470 -0.000 0.000 0.238 561 S C 2.210 176.818 174.600 0.012 0.000 1.010 561 S CA 0.714 58.977 58.200 0.105 0.000 0.972 561 S CB -0.276 62.995 63.200 0.118 0.000 0.774 561 S HN 0.563 nan 8.310 nan 0.000 0.501 562 A N 0.977 123.803 122.820 0.010 0.000 2.119 562 A HA 0.073 4.393 4.320 -0.000 0.000 0.217 562 A C 1.083 178.678 177.584 0.018 0.000 1.153 562 A CA 0.371 52.422 52.037 0.024 0.000 0.692 562 A CB -0.256 18.751 19.000 0.012 0.000 0.799 562 A HN 0.402 nan 8.150 nan 0.000 0.458 563 K N 0.013 120.424 120.400 0.019 0.000 2.430 563 K HA 0.268 4.588 4.320 -0.000 0.000 0.280 563 K C 1.055 177.665 176.600 0.016 0.000 1.063 563 K CA 0.881 57.180 56.287 0.020 0.000 1.071 563 K CB -0.271 32.269 32.500 0.065 0.000 0.899 563 K HN 0.575 nan 8.250 nan 0.000 0.473 564 G N 3.241 112.032 108.800 -0.015 0.000 2.278 564 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.210 564 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.210 564 G C -0.021 174.833 174.900 -0.077 0.000 1.000 564 G CA -0.144 44.938 45.100 -0.030 0.000 0.635 564 G HN 0.488 nan 8.290 nan 0.000 0.495 565 L N 0.906 122.071 121.223 -0.097 0.000 2.416 565 L HA 0.818 5.158 4.340 -0.000 0.000 0.263 565 L C 0.473 177.176 176.870 -0.278 0.000 1.065 565 L CA -0.734 53.976 54.840 -0.217 0.000 0.798 565 L CB 1.253 43.194 42.059 -0.197 0.000 1.267 565 L HN 0.532 nan 8.230 nan 0.000 0.467 566 E N -0.054 119.800 120.200 -0.577 0.000 2.372 566 E HA 0.609 4.959 4.350 -0.000 0.000 0.279 566 E C -1.864 174.262 176.600 -0.789 0.000 0.946 566 E CA -0.726 55.409 56.400 -0.442 0.000 0.769 566 E CB 2.027 31.581 29.700 -0.244 0.000 1.230 566 E HN 0.289 nan 8.360 nan 0.000 0.442 567 F N 0.643 120.546 119.950 -0.078 0.000 2.596 567 F HA 0.356 4.883 4.527 -0.000 0.000 0.311 567 F C -2.079 173.648 175.800 -0.122 0.000 1.116 567 F CA -2.139 55.809 58.000 -0.086 0.000 0.957 567 F CB 2.227 41.166 39.000 -0.102 0.000 1.250 567 F HN 0.299 nan 8.300 nan 0.000 0.444 568 P HA -0.156 nan 4.420 nan 0.000 0.215 568 P C -0.350 176.808 177.300 -0.237 0.000 1.157 568 P CA 1.627 64.697 63.100 -0.050 0.000 0.874 568 P CB 0.246 31.967 31.700 0.035 0.000 0.790 569 Q N -0.471 119.107 119.800 -0.369 0.000 2.331 569 Q HA 0.424 4.764 4.340 -0.000 0.000 0.267 569 Q C -1.062 174.717 176.000 -0.369 0.000 1.006 569 Q CA -0.514 54.979 55.803 -0.518 0.000 0.818 569 Q CB 2.610 30.885 28.738 -0.772 0.000 1.276 569 Q HN -0.115 nan 8.270 nan 0.000 0.450 570 V N 3.703 123.338 119.914 -0.465 0.000 2.588 570 V HA 0.543 4.663 4.120 -0.000 0.000 0.304 570 V C -0.997 174.789 176.094 -0.513 0.000 1.042 570 V CA -0.650 61.454 62.300 -0.327 0.000 0.877 570 V CB 1.439 33.168 31.823 -0.157 0.000 0.996 570 V HN 0.560 nan 8.190 nan 0.000 0.425 571 F N 4.627 124.512 119.950 -0.107 0.000 2.493 571 F HA 0.649 5.176 4.527 -0.000 0.000 0.329 571 F C -0.000 175.795 175.800 -0.008 0.000 1.126 571 F CA -0.591 57.390 58.000 -0.032 0.000 0.937 571 F CB 1.662 40.643 39.000 -0.033 0.000 1.146 571 F HN 0.211 nan 8.300 nan 0.000 0.442 572 I N 4.959 125.642 120.570 0.187 0.000 2.355 572 I HA 0.434 4.604 4.170 -0.000 0.000 0.288 572 I C -0.289 175.956 176.117 0.212 0.000 0.999 572 I CA -1.056 60.338 61.300 0.156 0.000 1.163 572 I CB 1.322 39.400 38.000 0.129 0.000 1.316 572 I HN 0.390 nan 8.210 nan 0.000 0.454 573 V N 2.251 122.289 119.914 0.207 0.000 3.109 573 V HA 0.841 4.961 4.120 -0.000 0.000 0.317 573 V C 1.003 177.218 176.094 0.201 0.000 1.074 573 V CA -0.117 62.304 62.300 0.202 0.000 1.033 573 V CB 1.153 33.075 31.823 0.165 0.000 1.111 573 V HN 1.035 nan 8.190 nan 0.000 0.458 574 G N 1.737 110.648 108.800 0.185 0.000 2.273 574 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.280 574 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.280 574 G C 0.113 175.164 174.900 0.251 0.000 1.047 574 G CA 0.383 45.599 45.100 0.193 0.000 0.869 574 G HN 0.757 nan 8.290 nan 0.000 0.502 575 M N 1.020 120.786 119.600 0.277 0.000 3.596 575 M HA 0.297 4.777 4.480 -0.000 0.000 0.219 575 M C 0.487 176.862 176.300 0.123 0.000 1.471 575 M CA 0.575 56.030 55.300 0.259 0.000 1.644 575 M CB -0.906 31.843 32.600 0.249 0.000 1.083 575 M HN 0.427 nan 8.290 nan 0.000 0.579 576 E N 0.370 120.634 120.200 0.106 0.000 2.293 576 E HA 0.312 4.662 4.350 -0.000 0.000 0.270 576 E C -0.573 175.956 176.600 -0.118 0.000 0.879 576 E CA -0.840 55.572 56.400 0.020 0.000 0.756 576 E CB 2.072 31.871 29.700 0.166 0.000 1.208 576 E HN 0.220 nan 8.360 nan 0.000 0.428 577 E N 0.740 120.824 120.200 -0.194 0.000 2.415 577 E HA 0.123 4.473 4.350 -0.000 0.000 0.263 577 E C 0.836 177.186 176.600 -0.417 0.000 0.995 577 E CA 1.041 57.282 56.400 -0.266 0.000 0.915 577 E CB 1.093 30.666 29.700 -0.212 0.000 0.951 577 E HN 0.891 nan 8.360 nan 0.000 0.449 578 G N 2.823 111.412 108.800 -0.352 0.000 2.232 578 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.226 578 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.226 578 G C 0.787 175.526 174.900 -0.268 0.000 0.996 578 G CA 0.331 45.169 45.100 -0.437 0.000 0.626 578 G HN 0.418 nan 8.290 nan 0.000 0.509 579 M N -1.399 118.107 119.600 -0.157 0.000 2.879 579 M HA 0.518 4.998 4.480 -0.000 0.000 0.241 579 M C 0.344 176.759 176.300 0.192 0.000 1.523 579 M CA 0.544 55.872 55.300 0.048 0.000 1.195 579 M CB 0.218 32.887 32.600 0.114 0.000 1.277 579 M HN 0.410 nan 8.290 nan 0.000 0.557 580 F N 3.360 123.279 119.950 -0.051 0.000 3.395 580 F HA 0.377 4.904 4.527 -0.000 0.000 0.382 580 F C -2.711 173.003 175.800 -0.144 0.000 1.264 580 F CA -1.670 56.333 58.000 0.005 0.000 1.277 580 F CB 1.661 40.722 39.000 0.102 0.000 1.780 580 F HN -0.158 nan 8.300 nan 0.000 0.691 581 P HA 0.142 nan 4.420 nan 0.000 0.275 581 P C -0.397 176.872 177.300 -0.052 0.000 1.227 581 P CA 0.070 63.098 63.100 -0.121 0.000 0.781 581 P CB 1.739 33.291 31.700 -0.247 0.000 0.906 582 S N 1.749 117.478 115.700 0.049 0.000 2.634 582 S HA 0.040 4.510 4.470 -0.000 0.000 0.261 582 S C 1.464 176.048 174.600 -0.026 0.000 1.271 582 S CA -0.122 58.081 58.200 0.004 0.000 0.985 582 S CB 0.467 63.694 63.200 0.046 0.000 0.968 582 S HN 0.436 nan 8.310 nan 0.000 0.568 583 Q N 0.425 120.207 119.800 -0.028 0.000 2.084 583 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 583 Q C 1.922 177.920 176.000 -0.002 0.000 0.978 583 Q CA 2.108 57.896 55.803 -0.024 0.000 0.844 583 Q CB -0.736 27.994 28.738 -0.014 0.000 0.898 583 Q HN 0.830 nan 8.270 nan 0.000 0.426 584 M N 0.043 119.651 119.600 0.014 0.000 2.267 584 M HA -0.118 4.362 4.480 -0.000 0.000 0.263 584 M C 1.900 178.217 176.300 0.028 0.000 1.063 584 M CA 1.603 56.919 55.300 0.027 0.000 1.090 584 M CB -0.273 32.348 32.600 0.036 0.000 1.392 584 M HN 0.325 nan 8.290 nan 0.000 0.422 585 S N -0.021 115.695 115.700 0.027 0.000 2.562 585 S HA 0.092 4.562 4.470 -0.000 0.000 0.221 585 S C 1.443 176.057 174.600 0.024 0.000 0.975 585 S CA 0.276 58.499 58.200 0.039 0.000 0.918 585 S CB -0.397 62.843 63.200 0.067 0.000 0.772 585 S HN 0.530 nan 8.310 nan 0.000 0.531 586 L N 0.522 121.748 121.223 0.005 0.000 2.640 586 L HA 0.342 4.682 4.340 -0.000 0.000 0.230 586 L C 0.726 177.599 176.870 0.005 0.000 1.123 586 L CA 0.067 54.904 54.840 -0.005 0.000 0.900 586 L CB -0.064 41.978 42.059 -0.028 0.000 1.146 586 L HN 0.111 nan 8.230 nan 0.000 0.484 587 D N 0.788 121.197 120.400 0.016 0.000 2.349 587 D HA 0.132 4.772 4.640 -0.000 0.000 0.214 587 D C 0.968 177.286 176.300 0.031 0.000 1.063 587 D CA 0.534 54.547 54.000 0.021 0.000 0.847 587 D CB 0.572 41.388 40.800 0.027 0.000 0.933 587 D HN 0.436 nan 8.370 nan 0.000 0.513 588 E N -0.491 119.729 120.200 0.034 0.000 2.429 588 E HA 0.577 4.927 4.350 -0.000 0.000 0.276 588 E C 1.001 177.623 176.600 0.036 0.000 0.953 588 E CA -0.527 55.897 56.400 0.040 0.000 0.787 588 E CB 0.128 29.859 29.700 0.052 0.000 1.307 588 E HN -0.074 nan 8.360 nan 0.000 0.458 589 G N 0.457 109.278 108.800 0.035 0.000 3.901 589 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.234 589 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.234 589 G C 1.376 176.294 174.900 0.031 0.000 0.906 589 G CA 1.728 46.847 45.100 0.030 0.000 0.722 589 G HN 1.669 nan 8.290 nan 0.000 1.399 590 G N -0.823 107.997 108.800 0.034 0.000 3.591 590 G HA2 0.373 4.333 3.960 -0.000 0.000 0.282 590 G HA3 0.373 4.333 3.960 -0.000 0.000 0.282 590 G C 1.394 176.325 174.900 0.051 0.000 1.238 590 G CA 0.216 45.337 45.100 0.035 0.000 0.993 590 G HN 0.466 nan 8.290 nan 0.000 0.542 591 R N -0.601 119.934 120.500 0.058 0.000 2.075 591 R HA -0.017 4.323 4.340 -0.000 0.000 0.232 591 R C 2.277 178.629 176.300 0.087 0.000 1.126 591 R CA 0.749 56.895 56.100 0.076 0.000 0.963 591 R CB -0.253 30.086 30.300 0.066 0.000 0.858 591 R HN 0.389 nan 8.270 nan 0.000 0.435 592 L N 1.858 123.125 121.223 0.072 0.000 2.042 592 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 592 L C 1.752 178.689 176.870 0.111 0.000 1.076 592 L CA 1.853 56.748 54.840 0.091 0.000 0.749 592 L CB -0.358 41.734 42.059 0.056 0.000 0.893 592 L HN 0.147 nan 8.230 nan 0.000 0.432 593 E N -0.856 119.384 120.200 0.066 0.000 2.150 593 E HA -0.263 4.087 4.350 -0.000 0.000 0.193 593 E C 1.997 178.614 176.600 0.028 0.000 0.985 593 E CA 1.139 57.560 56.400 0.036 0.000 0.814 593 E CB -0.050 29.658 29.700 0.013 0.000 0.752 593 E HN 0.660 nan 8.360 nan 0.000 0.466 594 E N 0.940 121.174 120.200 0.058 0.000 2.106 594 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 594 E C 1.823 178.476 176.600 0.089 0.000 0.984 594 E CA 0.743 57.183 56.400 0.066 0.000 0.806 594 E CB 0.242 30.004 29.700 0.104 0.000 0.750 594 E HN 0.084 nan 8.360 nan 0.000 0.458 595 E N 0.569 120.858 120.200 0.148 0.000 2.110 595 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 595 E C 2.078 178.715 176.600 0.063 0.000 0.988 595 E CA 0.777 57.335 56.400 0.263 0.000 0.804 595 E CB -0.236 29.683 29.700 0.365 0.000 0.745 595 E HN 0.268 nan 8.360 nan 0.000 0.458 596 R N 0.864 121.297 120.500 -0.111 0.000 2.115 596 R HA -0.037 4.303 4.340 -0.000 0.000 0.230 596 R C 2.260 178.385 176.300 -0.292 0.000 1.111 596 R CA 0.892 56.659 56.100 -0.556 0.000 0.976 596 R CB 0.084 30.201 30.300 -0.304 0.000 0.870 596 R HN 0.012 nan 8.270 nan 0.000 0.445 597 R N 0.102 120.539 120.500 -0.105 0.000 2.092 597 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 597 R C 2.229 178.549 176.300 0.033 0.000 1.119 597 R CA 1.040 57.126 56.100 -0.024 0.000 0.970 597 R CB -0.341 29.947 30.300 -0.019 0.000 0.864 597 R HN 0.188 nan 8.270 nan 0.000 0.440 598 L N 0.664 121.892 121.223 0.009 0.000 2.141 598 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 598 L C 2.171 179.093 176.870 0.087 0.000 1.094 598 L CA 1.669 56.504 54.840 -0.009 0.000 0.763 598 L CB -0.432 41.622 42.059 -0.009 0.000 0.908 598 L HN 0.085 nan 8.230 nan 0.000 0.437 599 A N -1.564 121.332 122.820 0.127 0.000 1.968 599 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 599 A C 2.238 179.820 177.584 -0.003 0.000 1.169 599 A CA 1.464 53.550 52.037 0.083 0.000 0.638 599 A CB -1.020 17.682 19.000 -0.497 0.000 0.812 599 A HN 0.619 nan 8.150 nan 0.000 0.446 600 Y N 0.548 120.759 120.300 -0.147 0.000 2.200 600 Y HA -0.147 4.403 4.550 -0.000 0.000 0.290 600 Y C 2.210 178.068 175.900 -0.070 0.000 1.137 600 Y CA 1.806 59.840 58.100 -0.110 0.000 1.163 600 Y CB -0.390 38.002 38.460 -0.113 0.000 0.988 600 Y HN 0.049 nan 8.280 nan 0.000 0.518 601 V N 0.399 120.247 119.914 -0.109 0.000 2.295 601 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 601 V C 2.631 178.622 176.094 -0.171 0.000 1.049 601 V CA 1.996 64.186 62.300 -0.183 0.000 1.024 601 V CB -1.565 30.202 31.823 -0.095 0.000 0.648 601 V HN 0.636 nan 8.190 nan 0.000 0.447 602 G N -0.237 108.503 108.800 -0.101 0.000 2.459 602 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 602 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 602 G C 1.693 176.545 174.900 -0.080 0.000 1.183 602 G CA 1.286 46.343 45.100 -0.071 0.000 0.776 602 G HN 0.368 nan 8.290 nan 0.000 0.552 603 V N 1.832 121.693 119.914 -0.089 0.000 2.287 603 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 603 V C 3.167 179.171 176.094 -0.150 0.000 1.053 603 V CA 2.354 64.597 62.300 -0.096 0.000 1.027 603 V CB -1.121 30.656 31.823 -0.076 0.000 0.646 603 V HN 0.658 nan 8.190 nan 0.000 0.447 604 T N -2.048 112.349 114.554 -0.263 0.000 3.227 604 T HA -0.058 4.292 4.350 -0.000 0.000 0.257 604 T C 1.652 176.249 174.700 -0.172 0.000 1.162 604 T CA 0.365 62.300 62.100 -0.274 0.000 1.051 604 T CB -0.267 68.308 68.868 -0.488 0.000 0.953 604 T HN 0.285 nan 8.240 nan 0.000 0.535 605 R N 1.296 121.727 120.500 -0.114 0.000 2.210 605 R HA 0.415 4.755 4.340 -0.000 0.000 0.203 605 R C 1.208 177.500 176.300 -0.013 0.000 1.010 605 R CA 0.417 56.493 56.100 -0.040 0.000 1.008 605 R CB -0.771 29.555 30.300 0.044 0.000 0.923 605 R HN 0.551 nan 8.270 nan 0.000 0.469 606 A N 1.094 123.886 122.820 -0.047 0.000 2.409 606 A HA 0.302 4.622 4.320 -0.000 0.000 0.267 606 A C 1.070 178.619 177.584 -0.058 0.000 1.127 606 A CA -0.137 51.866 52.037 -0.056 0.000 0.795 606 A CB 0.337 19.280 19.000 -0.094 0.000 1.061 606 A HN 0.119 nan 8.150 nan 0.000 0.502 607 M N 1.014 120.587 119.600 -0.046 0.000 2.398 607 M HA -0.019 4.460 4.480 -0.000 0.000 0.261 607 M C 2.039 178.325 176.300 -0.024 0.000 1.125 607 M CA 1.408 56.689 55.300 -0.032 0.000 1.183 607 M CB -0.045 32.547 32.600 -0.014 0.000 1.322 607 M HN 0.877 nan 8.290 nan 0.000 0.467 608 Q N -0.499 119.281 119.800 -0.034 0.000 2.481 608 Q HA 0.133 4.473 4.340 -0.000 0.000 0.219 608 Q C 0.186 176.157 176.000 -0.050 0.000 0.920 608 Q CA 0.472 56.267 55.803 -0.014 0.000 0.915 608 Q CB 0.855 29.615 28.738 0.037 0.000 1.057 608 Q HN 0.004 nan 8.270 nan 0.000 0.581 609 K N 0.545 120.871 120.400 -0.124 0.000 2.468 609 K HA 0.442 4.762 4.320 -0.000 0.000 0.252 609 K C -2.106 174.346 176.600 -0.247 0.000 0.932 609 K CA -0.569 55.620 56.287 -0.162 0.000 0.794 609 K CB 1.783 34.175 32.500 -0.181 0.000 1.241 609 K HN -0.039 nan 8.250 nan 0.000 0.428 610 L N 2.439 123.546 121.223 -0.194 0.000 2.346 610 L HA 0.706 5.046 4.340 -0.000 0.000 0.276 610 L C -1.359 175.397 176.870 -0.189 0.000 1.006 610 L CA 0.247 54.963 54.840 -0.207 0.000 0.817 610 L CB 2.390 44.386 42.059 -0.105 0.000 1.272 610 L HN 0.738 nan 8.230 nan 0.000 0.421 611 T N 5.756 120.172 114.554 -0.230 0.000 2.881 611 T HA 0.618 4.968 4.350 -0.000 0.000 0.290 611 T C -0.823 173.939 174.700 0.104 0.000 1.000 611 T CA -0.358 61.714 62.100 -0.045 0.000 0.978 611 T CB 1.118 69.957 68.868 -0.048 0.000 0.997 611 T HN 0.462 nan 8.240 nan 0.000 0.443 612 L N 3.459 124.786 121.223 0.172 0.000 2.341 612 L HA 0.771 5.111 4.340 -0.000 0.000 0.278 612 L C 0.465 177.492 176.870 0.262 0.000 1.005 612 L CA -0.873 54.094 54.840 0.212 0.000 0.818 612 L CB 1.965 44.137 42.059 0.188 0.000 1.259 612 L HN 0.761 nan 8.230 nan 0.000 0.418 613 T N -0.814 113.903 114.554 0.272 0.000 2.916 613 T HA 0.786 5.136 4.350 -0.000 0.000 0.292 613 T C -1.025 173.828 174.700 0.255 0.000 1.055 613 T CA -0.695 61.527 62.100 0.203 0.000 1.009 613 T CB 2.044 71.033 68.868 0.202 0.000 1.118 613 T HN 0.496 nan 8.240 nan 0.000 0.497 614 Y N -0.842 119.460 120.300 0.003 0.000 2.552 614 Y HA 0.825 5.375 4.550 -0.000 0.000 0.337 614 Y C -0.917 174.942 175.900 -0.068 0.000 1.094 614 Y CA -1.796 56.302 58.100 -0.003 0.000 1.028 614 Y CB 0.881 39.345 38.460 0.006 0.000 1.321 614 Y HN 1.000 nan 8.280 nan 0.000 0.456 615 A N 2.088 124.923 122.820 0.026 0.000 2.324 615 A HA 0.513 4.833 4.320 -0.000 0.000 0.330 615 A C 0.402 177.993 177.584 0.012 0.000 1.165 615 A CA -0.741 51.248 52.037 -0.081 0.000 0.813 615 A CB 0.805 19.752 19.000 -0.089 0.000 1.197 615 A HN 0.963 nan 8.150 nan 0.000 0.484 616 E N 0.212 120.399 120.200 -0.020 0.000 2.204 616 E HA -0.035 4.315 4.350 -0.000 0.000 0.194 616 E C 0.351 176.952 176.600 0.001 0.000 0.989 616 E CA 1.345 57.780 56.400 0.058 0.000 0.824 616 E CB 0.181 29.928 29.700 0.078 0.000 0.756 616 E HN 0.589 nan 8.360 nan 0.000 0.477 617 T N -0.639 113.844 114.554 -0.118 0.000 2.889 617 T HA 0.460 4.810 4.350 -0.000 0.000 0.315 617 T C -1.839 172.690 174.700 -0.285 0.000 1.291 617 T CA -0.921 60.963 62.100 -0.360 0.000 1.028 617 T CB 1.501 70.054 68.868 -0.526 0.000 1.235 617 T HN 0.240 nan 8.240 nan 0.000 0.491 618 R N 1.687 121.973 120.500 -0.356 0.000 2.712 618 R HA 0.639 4.979 4.340 -0.000 0.000 0.272 618 R C -1.590 174.574 176.300 -0.226 0.000 1.032 618 R CA -1.198 54.764 56.100 -0.230 0.000 0.874 618 R CB 1.237 31.442 30.300 -0.159 0.000 1.256 618 R HN 0.478 nan 8.270 nan 0.000 0.468 619 R N 1.594 122.007 120.500 -0.144 0.000 2.229 619 R HA 0.433 4.773 4.340 -0.000 0.000 0.332 619 R C -0.730 175.532 176.300 -0.064 0.000 0.989 619 R CA -0.526 55.514 56.100 -0.100 0.000 0.842 619 R CB 1.177 31.432 30.300 -0.075 0.000 1.119 619 R HN 0.399 nan 8.270 nan 0.000 0.456 620 L N 4.525 125.745 121.223 -0.005 0.000 2.313 620 L HA 0.314 4.654 4.340 -0.000 0.000 0.283 620 L C -0.377 176.619 176.870 0.210 0.000 1.013 620 L CA -0.842 54.050 54.840 0.086 0.000 0.816 620 L CB 1.066 43.251 42.059 0.210 0.000 1.236 620 L HN 0.754 nan 8.230 nan 0.000 0.419 621 Y N 2.922 123.214 120.300 -0.013 0.000 3.396 621 Y HA -0.303 4.247 4.550 -0.000 0.000 0.214 621 Y C 1.450 177.342 175.900 -0.012 0.000 1.203 621 Y CA 1.183 59.278 58.100 -0.009 0.000 1.401 621 Y CB -1.755 36.705 38.460 0.000 0.000 1.409 621 Y HN 0.976 nan 8.280 nan 0.000 0.594 622 G N -1.303 107.533 108.800 0.059 0.000 2.383 622 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.229 622 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.229 622 G C 0.478 175.396 174.900 0.031 0.000 1.089 622 G CA 0.260 45.381 45.100 0.035 0.000 0.640 622 G HN 0.552 nan 8.290 nan 0.000 0.510 623 K N 1.878 122.312 120.400 0.057 0.000 2.270 623 K HA 0.426 4.746 4.320 -0.000 0.000 0.276 623 K C 0.062 176.662 176.600 0.001 0.000 1.023 623 K CA -0.223 56.087 56.287 0.038 0.000 0.955 623 K CB 0.309 32.841 32.500 0.053 0.000 0.975 623 K HN 0.409 nan 8.250 nan 0.000 0.471 624 E N 2.537 122.730 120.200 -0.011 0.000 2.290 624 E HA 0.107 4.457 4.350 -0.000 0.000 0.277 624 E C -0.408 176.117 176.600 -0.124 0.000 1.035 624 E CA -0.544 55.796 56.400 -0.099 0.000 0.873 624 E CB 1.177 30.843 29.700 -0.056 0.000 1.029 624 E HN 0.414 nan 8.360 nan 0.000 0.419 625 V N 1.001 120.717 119.914 -0.330 0.000 3.046 625 V HA 0.549 4.669 4.120 -0.000 0.000 0.316 625 V C -1.196 174.500 176.094 -0.664 0.000 1.104 625 V CA -0.906 61.206 62.300 -0.312 0.000 1.006 625 V CB 1.178 32.785 31.823 -0.359 0.000 1.058 625 V HN 0.523 nan 8.190 nan 0.000 0.440 626 Y N 0.592 120.779 120.300 -0.188 0.000 2.445 626 Y HA 0.580 5.130 4.550 -0.000 0.000 0.332 626 Y C 0.165 176.059 175.900 -0.010 0.000 1.037 626 Y CA -0.405 57.635 58.100 -0.101 0.000 1.296 626 Y CB 0.799 39.243 38.460 -0.027 0.000 1.099 626 Y HN 0.774 nan 8.280 nan 0.000 0.496 627 H N 1.544 120.671 119.070 0.095 0.000 2.488 627 H HA 0.582 5.137 4.556 -0.000 0.000 0.347 627 H C -0.088 175.274 175.328 0.057 0.000 1.174 627 H CA -1.110 54.975 56.048 0.063 0.000 1.307 627 H CB 1.345 31.128 29.762 0.035 0.000 1.517 627 H HN 0.458 nan 8.280 nan 0.000 0.554 628 R N 1.786 122.372 120.500 0.143 0.000 2.532 628 R HA 0.229 4.569 4.340 -0.000 0.000 0.272 628 R C -2.474 173.797 176.300 -0.048 0.000 1.032 628 R CA -1.930 54.191 56.100 0.035 0.000 1.089 628 R CB 0.399 30.689 30.300 -0.017 0.000 1.098 628 R HN 0.413 nan 8.270 nan 0.000 0.526 629 P HA -0.074 nan 4.420 nan 0.000 0.267 629 P C -0.375 176.738 177.300 -0.312 0.000 1.200 629 P CA 0.196 63.037 63.100 -0.432 0.000 0.772 629 P CB 0.640 31.876 31.700 -0.773 0.000 0.855 630 S N 2.067 117.588 115.700 -0.297 0.000 2.552 630 S HA -0.037 4.433 4.470 -0.000 0.000 0.289 630 S C 1.615 176.012 174.600 -0.338 0.000 1.304 630 S CA -0.284 57.722 58.200 -0.325 0.000 1.063 630 S CB 0.123 63.157 63.200 -0.276 0.000 0.848 630 S HN 0.467 nan 8.310 nan 0.000 0.499 631 R N 4.095 124.333 120.500 -0.437 0.000 2.152 631 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 631 R C 1.531 177.729 176.300 -0.169 0.000 1.117 631 R CA 1.784 57.698 56.100 -0.310 0.000 0.981 631 R CB -0.677 29.423 30.300 -0.333 0.000 0.870 631 R HN 0.736 nan 8.270 nan 0.000 0.451 632 F N 1.345 121.184 119.950 -0.185 0.000 2.269 632 F HA -0.082 4.445 4.527 -0.000 0.000 0.301 632 F C 2.210 177.949 175.800 -0.102 0.000 1.082 632 F CA 0.417 58.321 58.000 -0.161 0.000 1.360 632 F CB -0.168 38.688 39.000 -0.240 0.000 1.041 632 F HN -0.070 nan 8.300 nan 0.000 0.512 633 I N 0.117 120.716 120.570 0.049 0.000 2.179 633 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 633 I C 2.782 178.900 176.117 0.002 0.000 1.088 633 I CA 1.526 62.833 61.300 0.012 0.000 1.357 633 I CB -0.996 36.957 38.000 -0.078 0.000 1.051 633 I HN 0.123 nan 8.210 nan 0.000 0.409 634 G N -0.022 108.761 108.800 -0.029 0.000 2.471 634 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.219 634 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.219 634 G C 1.466 176.370 174.900 0.006 0.000 1.125 634 G CA 0.363 45.450 45.100 -0.022 0.000 0.775 634 G HN 0.418 nan 8.290 nan 0.000 0.548 635 E N -0.508 119.711 120.200 0.031 0.000 2.358 635 E HA 0.122 4.472 4.350 -0.000 0.000 0.195 635 E C 0.579 177.199 176.600 0.033 0.000 1.010 635 E CA -0.293 56.132 56.400 0.041 0.000 0.856 635 E CB 0.041 29.788 29.700 0.078 0.000 0.795 635 E HN 0.362 nan 8.360 nan 0.000 0.504 636 L N 2.776 124.020 121.223 0.035 0.000 2.417 636 L HA 0.213 4.553 4.340 -0.000 0.000 0.268 636 L C -1.935 174.951 176.870 0.025 0.000 1.158 636 L CA -2.101 52.758 54.840 0.032 0.000 0.819 636 L CB -0.068 42.014 42.059 0.037 0.000 1.112 636 L HN -0.117 nan 8.230 nan 0.000 0.458 637 P HA 0.002 nan 4.420 nan 0.000 0.267 637 P C 0.062 177.376 177.300 0.023 0.000 1.205 637 P CA -0.250 62.862 63.100 0.021 0.000 0.765 637 P CB 0.600 32.313 31.700 0.021 0.000 0.828 638 E N 2.397 122.610 120.200 0.021 0.000 2.267 638 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 638 E C 0.336 176.951 176.600 0.026 0.000 0.998 638 E CA 1.258 57.672 56.400 0.023 0.000 0.830 638 E CB -0.325 29.387 29.700 0.020 0.000 0.751 638 E HN 0.441 nan 8.360 nan 0.000 0.491 639 E N 0.089 120.303 120.200 0.023 0.000 2.481 639 E HA 0.029 4.379 4.350 -0.000 0.000 0.195 639 E C 1.204 177.819 176.600 0.026 0.000 1.047 639 E CA 0.535 56.949 56.400 0.024 0.000 0.867 639 E CB -0.015 29.698 29.700 0.021 0.000 0.858 639 E HN 0.306 nan 8.360 nan 0.000 0.513 640 C N 0.284 119.600 119.300 0.027 0.000 2.780 640 C HA 0.267 4.726 4.460 -0.000 0.000 0.267 640 C C 0.712 175.721 174.990 0.032 0.000 1.266 640 C CA -0.452 58.582 59.018 0.027 0.000 1.709 640 C CB -0.047 27.708 27.740 0.025 0.000 1.975 640 C HN 0.105 nan 8.230 nan 0.000 0.582 641 V N 1.242 121.179 119.914 0.037 0.000 2.581 641 V HA 0.419 4.539 4.120 -0.000 0.000 0.303 641 V C -0.440 175.686 176.094 0.052 0.000 1.041 641 V CA -0.382 61.946 62.300 0.047 0.000 0.907 641 V CB 1.911 33.765 31.823 0.052 0.000 0.994 641 V HN 0.335 nan 8.190 nan 0.000 0.442 642 E N 2.595 122.833 120.200 0.064 0.000 2.279 642 E HA 0.329 4.679 4.350 -0.000 0.000 0.252 642 E C -0.618 176.034 176.600 0.087 0.000 0.894 642 E CA -0.494 55.947 56.400 0.069 0.000 0.785 642 E CB 1.426 31.166 29.700 0.067 0.000 1.237 642 E HN 0.797 nan 8.360 nan 0.000 0.418 643 E N 2.414 122.664 120.200 0.084 0.000 2.392 643 E HA 0.084 4.434 4.350 -0.000 0.000 0.264 643 E C -0.737 175.926 176.600 0.106 0.000 1.024 643 E CA -0.308 56.149 56.400 0.095 0.000 0.903 643 E CB 0.962 30.710 29.700 0.080 0.000 0.963 643 E HN 0.260 nan 8.360 nan 0.000 0.432 644 V N 5.680 125.672 119.914 0.130 0.000 2.427 644 V HA 0.123 4.243 4.120 -0.000 0.000 0.268 644 V C 0.341 176.520 176.094 0.140 0.000 1.046 644 V CA -0.090 62.313 62.300 0.171 0.000 0.970 644 V CB 0.664 32.648 31.823 0.267 0.000 1.001 644 V HN 0.680 nan 8.190 nan 0.000 0.476 645 R N 4.688 125.261 120.500 0.121 0.000 2.522 645 R HA 0.170 4.510 4.340 -0.000 0.000 0.284 645 R C 0.616 176.980 176.300 0.107 0.000 1.032 645 R CA -0.058 56.098 56.100 0.095 0.000 1.049 645 R CB 0.380 30.729 30.300 0.080 0.000 0.956 645 R HN 0.652 nan 8.270 nan 0.000 0.422 646 L N 3.301 124.569 121.223 0.075 0.000 2.616 646 L HA 0.169 4.509 4.340 -0.000 0.000 0.229 646 L C 0.531 177.436 176.870 0.060 0.000 1.110 646 L CA 0.159 55.045 54.840 0.075 0.000 0.884 646 L CB -0.179 41.899 42.059 0.031 0.000 1.115 646 L HN 0.584 nan 8.230 nan 0.000 0.481 647 R N -1.777 118.754 120.500 0.051 0.000 2.707 647 R HA 0.697 5.037 4.340 -0.000 0.000 0.272 647 R C -0.037 176.288 176.300 0.042 0.000 1.011 647 R CA -0.170 55.955 56.100 0.041 0.000 0.893 647 R CB 1.435 31.753 30.300 0.029 0.000 1.233 647 R HN -0.189 nan 8.270 nan 0.000 0.464 648 A N 1.180 124.022 122.820 0.037 0.000 1.943 648 A HA 0.067 4.387 4.320 -0.000 0.000 0.213 648 A C 1.021 178.624 177.584 0.030 0.000 1.181 648 A CA 1.310 53.369 52.037 0.036 0.000 0.653 648 A CB -0.266 18.754 19.000 0.033 0.000 0.833 648 A HN 0.854 nan 8.150 nan 0.000 0.451 649 T N -3.006 111.563 114.554 0.026 0.000 2.862 649 T HA 0.554 4.904 4.350 -0.000 0.000 0.276 649 T C -0.341 174.372 174.700 0.022 0.000 0.974 649 T CA -0.621 61.492 62.100 0.022 0.000 0.966 649 T CB 1.352 70.230 68.868 0.018 0.000 1.072 649 T HN 0.121 nan 8.240 nan 0.000 0.538 650 V N 2.617 122.543 119.914 0.020 0.000 2.347 650 V HA 0.391 4.511 4.120 -0.000 0.000 0.280 650 V C 0.694 176.797 176.094 0.016 0.000 1.021 650 V CA -0.946 61.366 62.300 0.019 0.000 0.847 650 V CB 0.856 32.690 31.823 0.019 0.000 0.990 650 V HN 1.178 nan 8.190 nan 0.000 0.444 651 S N 4.560 120.269 115.700 0.016 0.000 2.563 651 S HA 0.109 4.579 4.470 -0.000 0.000 0.294 651 S C 0.403 175.010 174.600 0.013 0.000 1.279 651 S CA -0.534 57.674 58.200 0.013 0.000 1.069 651 S CB 0.150 63.357 63.200 0.013 0.000 0.828 651 S HN 0.594 nan 8.310 nan 0.000 0.497 652 R N 3.115 123.621 120.500 0.011 0.000 2.489 652 R HA 0.307 4.647 4.340 -0.000 0.000 0.287 652 R C -2.235 174.071 176.300 0.011 0.000 1.053 652 R CA -1.206 54.901 56.100 0.011 0.000 1.036 652 R CB -1.176 29.130 30.300 0.009 0.000 0.966 652 R HN 0.714 nan 8.270 nan 0.000 0.432 653 P HA 0.036 nan 4.420 nan 0.000 0.264 653 P C -0.822 176.487 177.300 0.015 0.000 1.183 653 P CA -0.047 63.062 63.100 0.015 0.000 0.763 653 P CB 0.405 32.114 31.700 0.015 0.000 0.807 654 V N 3.536 123.461 119.914 0.018 0.000 2.334 654 V HA 0.136 4.256 4.120 -0.000 0.000 0.267 654 V C 0.602 176.714 176.094 0.030 0.000 1.040 654 V CA -0.469 61.842 62.300 0.018 0.000 0.866 654 V CB 0.515 32.348 31.823 0.016 0.000 1.019 654 V HN 0.696 nan 8.190 nan 0.000 0.468 655 S N 3.308 119.023 115.700 0.025 0.000 2.562 655 S HA 0.165 4.635 4.470 -0.000 0.000 0.281 655 S C -0.019 174.611 174.600 0.049 0.000 1.333 655 S CA -0.407 57.817 58.200 0.040 0.000 1.052 655 S CB 0.229 63.444 63.200 0.024 0.000 0.884 655 S HN 0.819 nan 8.310 nan 0.000 0.506 656 H N 1.735 120.805 119.070 -0.000 0.000 3.004 656 H HA 0.385 4.941 4.556 -0.000 0.000 0.316 656 H C 0.402 175.730 175.328 -0.001 0.000 1.014 656 H CA 1.343 57.391 56.048 -0.001 0.000 1.454 656 H CB 0.053 29.814 29.762 -0.001 0.000 1.472 656 H HN 0.904 nan 8.280 nan 0.000 0.571 657 Q N 5.137 124.549 119.800 -0.646 0.000 2.340 657 Q HA 0.261 4.601 4.340 -0.000 0.000 0.259 657 Q C 0.095 175.711 176.000 -0.641 0.000 0.964 657 Q CA -0.906 54.627 55.803 -0.449 0.000 0.900 657 Q CB 0.348 28.942 28.738 -0.240 0.000 1.228 657 Q HN 0.890 nan 8.270 nan 0.000 0.449 658 R N 3.332 123.630 120.500 -0.337 0.000 2.459 658 R HA 0.253 4.593 4.340 -0.000 0.000 0.301 658 R C -0.641 175.619 176.300 -0.067 0.000 1.286 658 R CA 0.177 56.208 56.100 -0.115 0.000 1.046 658 R CB 0.018 30.328 30.300 0.016 0.000 1.071 658 R HN 0.623 nan 8.270 nan 0.000 0.512 659 M N 1.663 121.230 119.600 -0.054 0.000 2.602 659 M HA 0.311 4.791 4.480 -0.000 0.000 0.312 659 M C 0.847 177.154 176.300 0.011 0.000 1.181 659 M CA -0.680 54.604 55.300 -0.025 0.000 0.910 659 M CB 2.010 34.584 32.600 -0.045 0.000 1.723 659 M HN 0.568 nan 8.290 nan 0.000 0.459 660 G N 0.411 109.215 108.800 0.007 0.000 3.192 660 G HA2 0.109 4.069 3.960 -0.000 0.000 0.239 660 G HA3 0.109 4.069 3.960 -0.000 0.000 0.239 660 G C 0.418 175.322 174.900 0.008 0.000 1.084 660 G CA 0.016 45.123 45.100 0.013 0.000 0.784 660 G HN 0.720 nan 8.290 nan 0.000 0.540 661 T N -0.879 113.676 114.554 0.002 0.000 2.855 661 T HA 0.533 4.883 4.350 -0.000 0.000 0.314 661 T C -0.638 174.064 174.700 0.003 0.000 1.077 661 T CA -0.163 61.937 62.100 -0.001 0.000 1.095 661 T CB 0.675 69.539 68.868 -0.006 0.000 0.987 661 T HN 0.235 nan 8.240 nan 0.000 0.546 662 P HA 0.000 nan 4.420 nan 0.000 0.216 662 P CA 0.000 63.101 63.100 0.002 0.000 0.800 662 P CB 0.000 31.700 31.700 0.000 0.000 0.726