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 2h5e_1_B DATA FIRST_RESID 2 DATA SEQUENCE TLSPYLQEVA KRRTFAIISH PDAGKTTITE KVLLFGQXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXT TSVMQFPYHD CLVNLLDTPG HEDFSEDTYR DATA SEQUENCE TLTAVDCCLM VIDAAKGVED RTRKLMEVTR LRDTPILTFM NKLDRDIRDP DATA SEQUENCE MELLDEVENE LKIGCAPITW PIGCGKLFKG VYHLYKDETY LYQSGKGHTI DATA SEQUENCE QEVRIVKGLN NPDLDAAVGE DLAQQLRDEL ELVKGASNEF DKELFLAGEI DATA SEQUENCE TPVFFGTALG NFGVDHMLDG LVEWAPAPMP RQTDTRTVEA SEDKFTGFVF DATA SEQUENCE KIQAXXXXXX XXRVAFMRVV SGKYEKGMKL RQVRTAKDVV ISDALTFMAX DATA SEQUENCE XXXXVEEAYP GDILGLHNHG TIQIGDTFTQ GEMMKFTGIP NFAPELFRRI DATA SEQUENCE RLKDXXXXKQ LLKGLVQLSE EGAVQVFRPI SNNDLIVGAV GVLQFDVVVA DATA SEQUENCE RLKSEYNVEA VYESVNVATA RWVECADAKK FEEFKRKNES QLALDGGDNL DATA SEQUENCE AYIATSMVNL RLAQERYPDV QFHQTREH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.726 174.700 0.043 0.000 1.109 2 T CA 0.000 62.126 62.100 0.043 0.000 1.349 2 T CB 0.000 68.884 68.868 0.027 0.000 0.612 3 L N 1.184 122.431 121.223 0.041 0.000 2.103 3 L HA 0.136 4.476 4.340 0.001 0.000 0.215 3 L C 1.156 178.060 176.870 0.056 0.000 1.080 3 L CA 1.352 56.217 54.840 0.040 0.000 0.764 3 L CB -1.487 40.594 42.059 0.036 0.000 0.890 3 L HN 0.057 nan 8.230 nan 0.000 0.435 4 S N 2.229 117.976 115.700 0.078 0.000 2.811 4 S HA 0.024 4.495 4.470 0.001 0.000 0.325 4 S C -1.226 173.448 174.600 0.124 0.000 1.224 4 S CA -0.405 57.865 58.200 0.116 0.000 1.125 4 S CB 0.471 63.771 63.200 0.167 0.000 0.867 4 S HN 0.271 nan 8.310 nan 0.000 0.512 5 P HA -0.173 nan 4.420 nan 0.000 0.218 5 P C 1.077 178.470 177.300 0.156 0.000 1.146 5 P CA 0.911 64.075 63.100 0.106 0.000 0.813 5 P CB 0.036 31.801 31.700 0.107 0.000 0.778 6 Y N 0.483 120.857 120.300 0.122 0.000 2.114 6 Y HA -0.174 4.377 4.550 0.001 0.000 0.284 6 Y C 2.017 178.002 175.900 0.141 0.000 1.143 6 Y CA 1.521 59.740 58.100 0.198 0.000 1.135 6 Y CB -1.089 37.475 38.460 0.173 0.000 0.980 6 Y HN -0.221 nan 8.280 nan 0.000 0.499 7 L N 0.161 121.430 121.223 0.076 0.000 2.261 7 L HA -0.260 4.081 4.340 0.001 0.000 0.216 7 L C 2.362 179.177 176.870 -0.091 0.000 1.114 7 L CA 1.460 56.277 54.840 -0.039 0.000 0.777 7 L CB -0.542 41.568 42.059 0.085 0.000 0.910 7 L HN 0.418 nan 8.230 nan 0.000 0.440 8 Q N -0.583 119.176 119.800 -0.069 0.000 2.163 8 Q HA -0.115 4.226 4.340 0.001 0.000 0.198 8 Q C 1.939 177.847 176.000 -0.153 0.000 0.954 8 Q CA 0.768 56.523 55.803 -0.080 0.000 0.851 8 Q CB 0.206 28.917 28.738 -0.044 0.000 0.928 8 Q HN 0.456 nan 8.270 nan 0.000 0.459 9 E N 0.026 120.080 120.200 -0.244 0.000 2.347 9 E HA -0.094 4.257 4.350 0.001 0.000 0.196 9 E C 1.866 178.251 176.600 -0.357 0.000 1.008 9 E CA 0.697 56.845 56.400 -0.419 0.000 0.852 9 E CB 0.281 29.448 29.700 -0.888 0.000 0.783 9 E HN 0.194 nan 8.360 nan 0.000 0.505 10 V N 1.101 120.841 119.914 -0.290 0.000 2.500 10 V HA -0.037 4.084 4.120 0.001 0.000 0.243 10 V C 2.284 178.307 176.094 -0.118 0.000 1.039 10 V CA 1.403 63.583 62.300 -0.200 0.000 1.053 10 V CB -0.385 31.292 31.823 -0.244 0.000 0.695 10 V HN 0.201 nan 8.190 nan 0.000 0.463 11 A N 0.963 123.721 122.820 -0.104 0.000 2.168 11 A HA -0.139 4.181 4.320 0.001 0.000 0.215 11 A C 2.104 179.655 177.584 -0.056 0.000 1.152 11 A CA 1.584 53.586 52.037 -0.058 0.000 0.716 11 A CB -0.317 18.659 19.000 -0.041 0.000 0.794 11 A HN 0.729 nan 8.150 nan 0.000 0.465 12 K N -1.642 118.709 120.400 -0.082 0.000 2.360 12 K HA 0.190 4.511 4.320 0.001 0.000 0.196 12 K C 0.379 176.931 176.600 -0.080 0.000 1.049 12 K CA -0.590 55.652 56.287 -0.075 0.000 1.049 12 K CB 0.252 32.702 32.500 -0.083 0.000 0.881 12 K HN 0.070 nan 8.250 nan 0.000 0.542 13 R N 1.829 122.278 120.500 -0.084 0.000 2.694 13 R HA 0.222 4.562 4.340 0.001 0.000 0.268 13 R C -0.613 175.657 176.300 -0.049 0.000 1.061 13 R CA -0.044 56.014 56.100 -0.070 0.000 1.133 13 R CB 0.733 31.001 30.300 -0.053 0.000 1.020 13 R HN 0.139 nan 8.270 nan 0.000 0.475 14 R N 0.109 120.580 120.500 -0.049 0.000 2.585 14 R HA 0.172 4.512 4.340 0.001 0.000 0.288 14 R C -1.507 174.802 176.300 0.016 0.000 1.194 14 R CA -0.057 56.028 56.100 -0.026 0.000 1.006 14 R CB 1.603 31.866 30.300 -0.062 0.000 1.229 14 R HN 0.536 nan 8.270 nan 0.000 0.412 15 T N 5.227 119.812 114.554 0.052 0.000 2.758 15 T HA 0.542 4.893 4.350 0.001 0.000 0.285 15 T C -0.711 174.099 174.700 0.184 0.000 0.981 15 T CA -0.407 61.743 62.100 0.083 0.000 0.965 15 T CB 0.281 69.152 68.868 0.005 0.000 0.927 15 T HN 0.432 nan 8.240 nan 0.000 0.448 16 F N 1.027 120.939 119.950 -0.063 0.000 2.675 16 F HA 0.960 5.488 4.527 0.001 0.000 0.324 16 F C -0.888 174.879 175.800 -0.056 0.000 1.106 16 F CA -1.544 56.429 58.000 -0.045 0.000 0.970 16 F CB 1.086 40.078 39.000 -0.013 0.000 1.385 16 F HN 0.631 nan 8.300 nan 0.000 0.489 17 A N 1.133 123.794 122.820 -0.266 0.000 2.566 17 A HA 0.779 5.100 4.320 0.001 0.000 0.292 17 A C -1.594 175.863 177.584 -0.212 0.000 1.112 17 A CA -0.942 50.852 52.037 -0.405 0.000 0.707 17 A CB 1.480 20.341 19.000 -0.231 0.000 1.302 17 A HN 0.786 nan 8.150 nan 0.000 0.409 18 I N 1.393 121.839 120.570 -0.207 0.000 2.392 18 I HA 0.436 4.606 4.170 0.001 0.000 0.295 18 I C -0.359 175.732 176.117 -0.043 0.000 0.985 18 I CA -0.489 60.770 61.300 -0.067 0.000 1.221 18 I CB 1.448 39.395 38.000 -0.088 0.000 1.366 18 I HN 0.620 nan 8.210 nan 0.000 0.467 19 I N 3.482 124.054 120.570 0.004 0.000 2.406 19 I HA 0.787 4.958 4.170 0.001 0.000 0.290 19 I C -0.558 175.566 176.117 0.011 0.000 0.999 19 I CA -0.114 61.188 61.300 0.003 0.000 1.124 19 I CB 1.804 39.815 38.000 0.018 0.000 1.289 19 I HN 0.617 nan 8.210 nan 0.000 0.441 20 S N 3.454 119.150 115.700 -0.007 0.000 2.558 20 S HA 0.315 4.786 4.470 0.001 0.000 0.277 20 S C -1.076 173.522 174.600 -0.004 0.000 1.143 20 S CA -0.893 57.313 58.200 0.011 0.000 0.865 20 S CB 1.164 64.365 63.200 0.002 0.000 1.102 20 S HN 0.858 nan 8.310 nan 0.000 0.454 21 H N 1.854 120.894 119.070 -0.050 0.000 2.732 21 H HA 0.333 4.890 4.556 0.002 0.000 0.351 21 H C -2.565 172.724 175.328 -0.064 0.000 1.090 21 H CA -0.613 55.394 56.048 -0.068 0.000 1.431 21 H CB 0.635 30.370 29.762 -0.046 0.000 1.447 21 H HN 0.345 nan 8.280 nan 0.000 0.582 22 P HA -0.098 nan 4.420 nan 0.000 0.264 22 P C 0.160 177.555 177.300 0.158 0.000 1.179 22 P CA 0.924 64.008 63.100 -0.025 0.000 0.763 22 P CB 0.286 31.930 31.700 -0.094 0.000 0.806 23 D N 0.808 121.300 120.400 0.153 0.000 2.876 23 D HA -0.207 4.434 4.640 0.001 0.000 0.196 23 D C 1.098 177.445 176.300 0.078 0.000 1.014 23 D CA 1.466 55.534 54.000 0.113 0.000 1.012 23 D CB -1.458 39.400 40.800 0.097 0.000 1.080 23 D HN 0.346 nan 8.370 nan 0.000 0.438 24 A N 0.024 122.890 122.820 0.077 0.000 2.016 24 A HA 0.505 4.826 4.320 0.001 0.000 0.217 24 A C 1.949 179.558 177.584 0.041 0.000 1.162 24 A CA 1.868 53.938 52.037 0.054 0.000 0.662 24 A CB 0.051 19.087 19.000 0.060 0.000 0.812 24 A HN 1.194 nan 8.150 nan 0.000 0.450 25 G N -0.938 107.881 108.800 0.031 0.000 2.215 25 G HA2 -0.123 3.837 3.960 0.001 0.000 0.187 25 G HA3 -0.123 3.837 3.960 0.001 0.000 0.187 25 G C 0.670 175.558 174.900 -0.021 0.000 1.039 25 G CA 0.579 45.687 45.100 0.012 0.000 0.771 25 G HN 0.454 nan 8.290 nan 0.000 0.507 26 K N 0.111 120.496 120.400 -0.027 0.000 2.103 26 K HA -0.010 4.311 4.320 0.001 0.000 0.204 26 K C 2.343 178.904 176.600 -0.065 0.000 1.052 26 K CA 1.917 58.167 56.287 -0.062 0.000 0.945 26 K CB -0.181 32.269 32.500 -0.082 0.000 0.722 26 K HN 0.224 nan 8.250 nan 0.000 0.443 27 T N 0.425 114.960 114.554 -0.032 0.000 2.737 27 T HA -0.097 4.254 4.350 0.001 0.000 0.265 27 T C 1.724 176.402 174.700 -0.036 0.000 1.038 27 T CA 1.879 63.966 62.100 -0.022 0.000 1.144 27 T CB -0.392 68.494 68.868 0.030 0.000 0.866 27 T HN 0.351 nan 8.240 nan 0.000 0.434 28 T N 1.926 116.461 114.554 -0.031 0.000 2.746 28 T HA -0.010 4.341 4.350 0.001 0.000 0.267 28 T C 1.945 176.595 174.700 -0.084 0.000 1.039 28 T CA 0.795 62.867 62.100 -0.047 0.000 1.142 28 T CB -0.355 68.493 68.868 -0.033 0.000 0.866 28 T HN 0.200 nan 8.240 nan 0.000 0.444 29 I N 1.095 121.600 120.570 -0.109 0.000 2.353 29 I HA -0.108 4.063 4.170 0.001 0.000 0.248 29 I C 2.365 178.390 176.117 -0.153 0.000 1.119 29 I CA 1.270 62.466 61.300 -0.174 0.000 1.417 29 I CB -0.461 37.387 38.000 -0.253 0.000 1.078 29 I HN 0.128 nan 8.210 nan 0.000 0.421 30 T N 0.129 114.609 114.554 -0.123 0.000 2.708 30 T HA -0.250 4.101 4.350 0.001 0.000 0.266 30 T C 1.810 176.433 174.700 -0.128 0.000 1.037 30 T CA 1.810 63.837 62.100 -0.121 0.000 1.146 30 T CB -0.303 68.501 68.868 -0.106 0.000 0.865 30 T HN 0.499 nan 8.240 nan 0.000 0.435 31 E N 0.523 120.663 120.200 -0.100 0.000 2.085 31 E HA -0.216 4.135 4.350 0.001 0.000 0.194 31 E C 1.980 178.509 176.600 -0.117 0.000 0.994 31 E CA 1.044 57.391 56.400 -0.088 0.000 0.801 31 E CB 0.113 29.780 29.700 -0.056 0.000 0.743 31 E HN 0.148 nan 8.360 nan 0.000 0.453 32 K N 0.143 120.469 120.400 -0.124 0.000 2.167 32 K HA -0.022 4.299 4.320 0.001 0.000 0.203 32 K C 2.162 178.700 176.600 -0.103 0.000 1.052 32 K CA 0.530 56.737 56.287 -0.134 0.000 0.956 32 K CB -0.471 31.974 32.500 -0.092 0.000 0.735 32 K HN 0.103 nan 8.250 nan 0.000 0.451 33 V N 1.822 121.658 119.914 -0.130 0.000 2.407 33 V HA -0.187 3.934 4.120 0.001 0.000 0.248 33 V C 2.279 178.147 176.094 -0.376 0.000 1.055 33 V CA 1.400 63.579 62.300 -0.202 0.000 1.049 33 V CB -0.400 31.250 31.823 -0.288 0.000 0.662 33 V HN 0.193 nan 8.190 nan 0.000 0.455 34 L N -0.014 120.994 121.223 -0.358 0.000 2.376 34 L HA -0.092 4.249 4.340 0.001 0.000 0.219 34 L C 2.098 178.847 176.870 -0.202 0.000 1.133 34 L CA 0.743 55.373 54.840 -0.349 0.000 0.816 34 L CB -0.389 41.544 42.059 -0.209 0.000 0.933 34 L HN 0.446 nan 8.230 nan 0.000 0.449 35 L N -5.046 116.057 121.223 -0.200 0.000 2.509 35 L HA 0.113 4.454 4.340 0.001 0.000 0.222 35 L C 1.802 178.533 176.870 -0.232 0.000 1.123 35 L CA 1.119 55.838 54.840 -0.201 0.000 0.856 35 L CB -1.322 40.603 42.059 -0.224 0.000 0.985 35 L HN -0.060 nan 8.230 nan 0.000 0.456 36 F N 1.245 121.145 119.950 -0.083 0.000 2.367 36 F HA 0.195 4.723 4.527 0.001 0.000 0.298 36 F C 2.381 178.247 175.800 0.109 0.000 1.094 36 F CA 0.896 58.914 58.000 0.030 0.000 1.409 36 F CB -0.238 38.778 39.000 0.026 0.000 1.064 36 F HN 0.278 nan 8.300 nan 0.000 0.528 37 G N -1.277 107.620 108.800 0.160 0.000 2.623 37 G HA2 0.112 4.073 3.960 0.001 0.000 0.214 37 G HA3 0.112 4.073 3.960 0.001 0.000 0.214 37 G C 0.136 175.125 174.900 0.149 0.000 1.138 37 G CA 0.108 45.343 45.100 0.225 0.000 0.794 37 G HN 0.279 nan 8.290 nan 0.000 0.535 72 T N 1.980 116.566 114.554 0.054 0.000 2.849 72 T HA -0.074 4.277 4.350 0.001 0.000 0.270 72 T C 1.964 176.618 174.700 -0.077 0.000 1.066 72 T CA 1.955 64.050 62.100 -0.009 0.000 1.130 72 T CB -0.359 68.507 68.868 -0.003 0.000 0.864 72 T HN 0.477 nan 8.240 nan 0.000 0.481 73 S N 0.143 115.794 115.700 -0.082 0.000 2.359 73 S HA 0.009 4.480 4.470 0.001 0.000 0.224 73 S C 0.839 175.238 174.600 -0.336 0.000 1.035 73 S CA 0.896 58.964 58.200 -0.221 0.000 1.018 73 S CB -0.135 62.978 63.200 -0.146 0.000 0.876 73 S HN 0.471 nan 8.310 nan 0.000 0.448 74 V N 2.590 122.235 119.914 -0.448 0.000 2.851 74 V HA 0.627 4.748 4.120 0.001 0.000 0.307 74 V C -1.774 174.132 176.094 -0.315 0.000 1.129 74 V CA -1.189 60.833 62.300 -0.463 0.000 0.932 74 V CB 1.965 33.414 31.823 -0.624 0.000 1.024 74 V HN 0.413 nan 8.190 nan 0.000 0.426 75 M N 4.434 123.967 119.600 -0.111 0.000 2.197 75 M HA 0.619 5.100 4.480 0.001 0.000 0.301 75 M C -1.092 175.302 176.300 0.158 0.000 0.987 75 M CA -0.493 54.840 55.300 0.055 0.000 0.921 75 M CB 1.763 34.405 32.600 0.070 0.000 1.569 75 M HN 0.775 nan 8.290 nan 0.000 0.431 76 Q N 4.000 123.909 119.800 0.182 0.000 2.245 76 Q HA 0.814 5.155 4.340 0.001 0.000 0.256 76 Q C -1.928 174.220 176.000 0.247 0.000 0.942 76 Q CA -0.552 55.333 55.803 0.137 0.000 0.896 76 Q CB 1.792 30.593 28.738 0.105 0.000 1.272 76 Q HN 0.769 nan 8.270 nan 0.000 0.442 77 F N 0.451 120.449 119.950 0.079 0.000 2.693 77 F HA 0.718 5.246 4.527 0.001 0.000 0.309 77 F C -2.995 172.860 175.800 0.092 0.000 1.129 77 F CA -2.680 55.371 58.000 0.084 0.000 0.948 77 F CB 0.858 39.911 39.000 0.088 0.000 1.315 77 F HN 0.335 nan 8.300 nan 0.000 0.447 78 P HA 0.324 nan 4.420 nan 0.000 0.288 78 P C -1.915 175.603 177.300 0.363 0.000 1.267 78 P CA -0.184 63.023 63.100 0.177 0.000 0.815 78 P CB 1.002 32.785 31.700 0.138 0.000 0.989 79 Y N 3.260 123.608 120.300 0.080 0.000 2.332 79 Y HA 0.287 4.838 4.550 0.002 0.000 0.325 79 Y C 0.844 176.758 175.900 0.024 0.000 1.054 79 Y CA 0.197 58.334 58.100 0.060 0.000 1.119 79 Y CB 0.648 39.119 38.460 0.017 0.000 1.168 79 Y HN 0.703 nan 8.280 nan 0.000 0.439 80 H N 1.268 120.057 119.070 -0.468 0.000 1.452 80 H HA -0.284 4.273 4.556 0.001 0.000 0.090 80 H C 0.127 175.365 175.328 -0.150 0.000 0.629 80 H CA 1.143 56.989 56.048 -0.337 0.000 1.901 80 H CB -0.640 28.906 29.762 -0.360 0.000 2.257 80 H HN 0.725 nan 8.280 nan 0.000 0.961 81 D N 2.045 122.473 120.400 0.046 0.000 2.388 81 D HA 0.227 4.868 4.640 0.001 0.000 0.221 81 D C -0.072 176.220 176.300 -0.012 0.000 1.133 81 D CA 0.215 54.213 54.000 -0.003 0.000 0.831 81 D CB -0.172 40.617 40.800 -0.018 0.000 0.962 81 D HN 0.210 nan 8.370 nan 0.000 0.502 82 C N 0.053 119.350 119.300 -0.006 0.000 2.719 82 C HA 0.666 5.127 4.460 0.001 0.000 0.327 82 C C -0.716 174.238 174.990 -0.059 0.000 1.238 82 C CA -0.888 58.108 59.018 -0.036 0.000 1.727 82 C CB 1.569 29.287 27.740 -0.037 0.000 2.256 82 C HN 0.354 nan 8.230 nan 0.000 0.489 83 L N 2.473 123.635 121.223 -0.102 0.000 2.345 83 L HA 0.657 4.998 4.340 0.001 0.000 0.274 83 L C -0.710 176.029 176.870 -0.218 0.000 0.999 83 L CA 0.125 54.880 54.840 -0.142 0.000 0.849 83 L CB 1.161 43.158 42.059 -0.103 0.000 1.220 83 L HN 0.517 nan 8.230 nan 0.000 0.422 84 V N 4.334 123.985 119.914 -0.438 0.000 2.427 84 V HA 0.443 4.564 4.120 0.001 0.000 0.286 84 V C -0.071 175.764 176.094 -0.432 0.000 1.034 84 V CA -0.667 61.331 62.300 -0.503 0.000 0.893 84 V CB 1.671 32.981 31.823 -0.854 0.000 0.982 84 V HN 0.734 nan 8.190 nan 0.000 0.452 85 N N 3.441 122.061 118.700 -0.133 0.000 2.444 85 N HA 0.545 5.286 4.740 0.001 0.000 0.262 85 N C -1.111 174.382 175.510 -0.027 0.000 0.974 85 N CA -0.546 52.469 53.050 -0.058 0.000 0.933 85 N CB 1.609 40.078 38.487 -0.030 0.000 1.137 85 N HN 0.529 nan 8.380 nan 0.000 0.498 86 L N 4.559 125.747 121.223 -0.059 0.000 2.280 86 L HA 0.456 4.797 4.340 0.001 0.000 0.287 86 L C -1.232 175.471 176.870 -0.278 0.000 1.023 86 L CA -0.525 54.133 54.840 -0.303 0.000 0.819 86 L CB 0.598 42.558 42.059 -0.165 0.000 1.212 86 L HN 0.413 nan 8.230 nan 0.000 0.420 87 L N 3.525 124.545 121.223 -0.339 0.000 2.312 87 L HA 0.329 4.670 4.340 0.001 0.000 0.281 87 L C -0.013 176.692 176.870 -0.275 0.000 1.070 87 L CA -0.589 54.085 54.840 -0.276 0.000 0.805 87 L CB 1.273 43.181 42.059 -0.252 0.000 1.174 87 L HN 0.586 nan 8.230 nan 0.000 0.434 88 D N 1.768 122.023 120.400 -0.242 0.000 2.382 88 D HA 0.170 4.811 4.640 0.001 0.000 0.245 88 D C -0.157 176.031 176.300 -0.187 0.000 1.120 88 D CA 0.100 53.975 54.000 -0.208 0.000 0.890 88 D CB 1.085 41.773 40.800 -0.187 0.000 1.201 88 D HN 0.576 nan 8.370 nan 0.000 0.433 89 T N 1.235 115.693 114.554 -0.160 0.000 3.241 89 T HA 0.439 4.790 4.350 0.001 0.000 0.387 89 T C -2.563 172.073 174.700 -0.108 0.000 1.451 89 T CA -1.892 60.138 62.100 -0.117 0.000 1.363 89 T CB 0.943 69.757 68.868 -0.090 0.000 1.074 89 T HN 0.138 nan 8.240 nan 0.000 0.598 90 P HA 0.189 nan 4.420 nan 0.000 0.260 90 P C 1.012 178.285 177.300 -0.045 0.000 1.172 90 P CA 0.383 63.423 63.100 -0.100 0.000 0.760 90 P CB 0.386 32.039 31.700 -0.079 0.000 0.773 91 G N 1.682 110.354 108.800 -0.214 0.000 2.945 91 G HA2 -0.001 3.959 3.960 0.001 0.000 0.225 91 G HA3 -0.001 3.959 3.960 0.001 0.000 0.225 91 G C 0.532 175.275 174.900 -0.261 0.000 1.046 91 G CA 0.183 45.115 45.100 -0.280 0.000 0.842 91 G HN 0.455 nan 8.290 nan 0.000 0.543 92 H N 1.341 120.389 119.070 -0.038 0.000 3.354 92 H HA 0.211 4.767 4.556 0.001 0.000 0.115 92 H C 1.894 177.226 175.328 0.008 0.000 1.539 92 H CA 0.611 56.636 56.048 -0.038 0.000 1.601 92 H CB -0.259 29.486 29.762 -0.029 0.000 0.985 92 H HN 0.077 nan 8.280 nan 0.000 0.742 93 E N 0.620 120.921 120.200 0.168 0.000 2.204 93 E HA -0.102 4.249 4.350 0.001 0.000 0.194 93 E C 1.528 178.174 176.600 0.076 0.000 0.989 93 E CA 0.958 57.415 56.400 0.095 0.000 0.824 93 E CB -0.174 29.565 29.700 0.064 0.000 0.756 93 E HN 0.390 nan 8.360 nan 0.000 0.477 94 D N -0.180 120.262 120.400 0.071 0.000 2.263 94 D HA -0.108 4.533 4.640 0.001 0.000 0.208 94 D C -0.111 176.192 176.300 0.004 0.000 0.971 94 D CA 0.279 54.292 54.000 0.021 0.000 0.867 94 D CB -0.202 40.600 40.800 0.004 0.000 0.929 94 D HN 0.072 nan 8.370 nan 0.000 0.492 95 F N 1.101 120.977 119.950 -0.123 0.000 2.623 95 F HA 0.095 4.623 4.527 0.002 0.000 0.386 95 F C 0.667 176.336 175.800 -0.218 0.000 1.068 95 F CA -0.066 57.824 58.000 -0.183 0.000 1.265 95 F CB 0.217 39.110 39.000 -0.179 0.000 1.026 95 F HN -0.103 nan 8.300 nan 0.000 0.568 96 S N 3.122 118.227 115.700 -0.993 0.000 2.643 96 S HA 0.237 4.708 4.470 0.001 0.000 0.270 96 S C 0.509 174.520 174.600 -0.983 0.000 1.166 96 S CA -0.327 57.344 58.200 -0.882 0.000 0.815 96 S CB 1.112 64.043 63.200 -0.450 0.000 1.139 96 S HN 0.744 nan 8.310 nan 0.000 0.472 97 E N 0.244 120.035 120.200 -0.682 0.000 2.209 97 E HA -0.207 4.143 4.350 0.001 0.000 0.196 97 E C 0.688 177.086 176.600 -0.336 0.000 0.993 97 E CA 1.740 57.828 56.400 -0.520 0.000 0.819 97 E CB -0.250 29.327 29.700 -0.205 0.000 0.745 97 E HN 0.607 nan 8.360 nan 0.000 0.477 98 D N -0.327 119.908 120.400 -0.274 0.000 2.264 98 D HA -0.097 4.544 4.640 0.001 0.000 0.208 98 D C 1.664 177.884 176.300 -0.133 0.000 0.966 98 D CA 1.170 55.084 54.000 -0.143 0.000 0.864 98 D CB -0.187 40.529 40.800 -0.140 0.000 0.933 98 D HN 0.211 nan 8.370 nan 0.000 0.499 99 T N 0.460 114.864 114.554 -0.250 0.000 2.652 99 T HA -0.190 4.161 4.350 0.001 0.000 0.267 99 T C 1.710 176.395 174.700 -0.025 0.000 1.039 99 T CA 0.940 62.955 62.100 -0.142 0.000 1.153 99 T CB -0.393 68.407 68.868 -0.114 0.000 0.863 99 T HN 0.136 nan 8.240 nan 0.000 0.428 100 Y N 1.651 121.798 120.300 -0.256 0.000 2.128 100 Y HA -0.036 4.514 4.550 0.001 0.000 0.284 100 Y C 2.604 178.393 175.900 -0.184 0.000 1.154 100 Y CA 0.505 58.366 58.100 -0.399 0.000 1.149 100 Y CB -0.766 37.061 38.460 -1.055 0.000 0.976 100 Y HN 0.153 nan 8.280 nan 0.000 0.505 101 R N -0.827 119.759 120.500 0.142 0.000 2.189 101 R HA -0.103 4.238 4.340 0.001 0.000 0.223 101 R C 2.045 178.445 176.300 0.166 0.000 1.092 101 R CA 1.413 57.681 56.100 0.280 0.000 0.989 101 R CB -0.495 29.985 30.300 0.299 0.000 0.876 101 R HN 0.270 nan 8.270 nan 0.000 0.457 102 T N 1.625 116.228 114.554 0.083 0.000 2.803 102 T HA -0.083 4.267 4.350 0.001 0.000 0.269 102 T C 1.719 176.289 174.700 -0.218 0.000 1.052 102 T CA 0.907 62.949 62.100 -0.098 0.000 1.136 102 T CB -0.058 68.776 68.868 -0.057 0.000 0.864 102 T HN 0.200 nan 8.240 nan 0.000 0.467 103 L N 0.903 122.082 121.223 -0.074 0.000 2.275 103 L HA -0.059 4.282 4.340 0.001 0.000 0.215 103 L C 2.607 179.449 176.870 -0.047 0.000 1.119 103 L CA 0.979 55.784 54.840 -0.058 0.000 0.790 103 L CB -1.138 40.918 42.059 -0.006 0.000 0.919 103 L HN 0.276 nan 8.230 nan 0.000 0.443 104 T N -0.074 114.477 114.554 -0.005 0.000 3.007 104 T HA -0.029 4.322 4.350 0.001 0.000 0.270 104 T C 1.683 176.385 174.700 0.002 0.000 1.107 104 T CA 1.044 63.169 62.100 0.041 0.000 1.118 104 T CB -0.011 68.948 68.868 0.153 0.000 0.889 104 T HN 0.434 nan 8.240 nan 0.000 0.506 105 A N 1.039 123.698 122.820 -0.268 0.000 2.308 105 A HA 0.511 4.831 4.320 0.001 0.000 0.217 105 A C 0.954 178.362 177.584 -0.292 0.000 1.216 105 A CA -0.364 51.393 52.037 -0.466 0.000 0.864 105 A CB -0.072 18.066 19.000 -1.436 0.000 0.902 105 A HN 0.404 nan 8.150 nan 0.000 0.499 106 V N -4.151 115.659 119.914 -0.173 0.000 3.019 106 V HA 0.604 4.725 4.120 0.001 0.000 0.317 106 V C -0.326 175.748 176.094 -0.033 0.000 1.094 106 V CA -0.679 61.564 62.300 -0.095 0.000 1.000 106 V CB 1.788 33.564 31.823 -0.078 0.000 1.060 106 V HN 0.082 nan 8.190 nan 0.000 0.443 107 D N 0.071 120.473 120.400 0.004 0.000 2.398 107 D HA 0.325 4.966 4.640 0.001 0.000 0.210 107 D C -0.094 176.220 176.300 0.024 0.000 1.094 107 D CA 0.595 54.601 54.000 0.010 0.000 0.839 107 D CB 0.837 41.648 40.800 0.017 0.000 0.963 107 D HN 0.700 nan 8.370 nan 0.000 0.506 108 C N 0.189 119.530 119.300 0.068 0.000 3.241 108 C HA 0.534 4.995 4.460 0.001 0.000 0.348 108 C C -1.354 173.743 174.990 0.179 0.000 1.180 108 C CA -0.668 58.416 59.018 0.111 0.000 1.273 108 C CB 0.408 28.239 27.740 0.152 0.000 1.620 108 C HN 0.272 nan 8.230 nan 0.000 0.510 109 C N 3.439 122.842 119.300 0.172 0.000 2.634 109 C HA 0.739 5.199 4.460 0.001 0.000 0.313 109 C C -0.576 174.565 174.990 0.252 0.000 1.198 109 C CA -0.598 58.541 59.018 0.202 0.000 1.605 109 C CB 1.302 29.102 27.740 0.100 0.000 2.196 109 C HN 0.903 nan 8.230 nan 0.000 0.486 110 L N 3.512 124.917 121.223 0.305 0.000 2.265 110 L HA 0.582 4.923 4.340 0.001 0.000 0.289 110 L C -0.150 176.813 176.870 0.154 0.000 1.033 110 L CA -0.104 54.880 54.840 0.240 0.000 0.814 110 L CB 0.686 42.919 42.059 0.290 0.000 1.203 110 L HN 0.822 nan 8.230 nan 0.000 0.423 111 M N 5.836 125.521 119.600 0.142 0.000 2.105 111 M HA 0.426 4.907 4.480 0.001 0.000 0.350 111 M C -1.389 174.981 176.300 0.116 0.000 1.308 111 M CA -0.274 55.089 55.300 0.104 0.000 1.108 111 M CB 0.670 33.325 32.600 0.092 0.000 1.622 111 M HN 0.456 nan 8.290 nan 0.000 0.468 112 V N 7.423 127.391 119.914 0.091 0.000 2.398 112 V HA 0.484 4.605 4.120 0.001 0.000 0.286 112 V C -0.205 175.937 176.094 0.079 0.000 1.026 112 V CA -0.509 61.858 62.300 0.111 0.000 0.868 112 V CB 1.557 33.421 31.823 0.068 0.000 0.982 112 V HN 0.772 nan 8.190 nan 0.000 0.443 113 I N 3.468 124.080 120.570 0.070 0.000 2.436 113 I HA 0.328 4.499 4.170 0.001 0.000 0.289 113 I C -0.212 175.911 176.117 0.009 0.000 1.010 113 I CA -0.632 60.683 61.300 0.024 0.000 1.098 113 I CB 1.907 39.900 38.000 -0.012 0.000 1.266 113 I HN 0.513 nan 8.210 nan 0.000 0.434 114 D N 5.107 125.511 120.400 0.005 0.000 2.412 114 D HA 0.070 4.711 4.640 0.001 0.000 0.257 114 D C 0.835 177.110 176.300 -0.041 0.000 1.217 114 D CA 0.279 54.271 54.000 -0.014 0.000 0.897 114 D CB 1.595 42.387 40.800 -0.013 0.000 1.132 114 D HN 0.698 nan 8.370 nan 0.000 0.493 115 A N 3.876 126.660 122.820 -0.059 0.000 2.067 115 A HA 0.125 4.445 4.320 0.001 0.000 0.217 115 A C 1.960 179.510 177.584 -0.055 0.000 1.156 115 A CA 1.165 53.159 52.037 -0.071 0.000 0.683 115 A CB -0.050 18.891 19.000 -0.097 0.000 0.808 115 A HN 0.613 nan 8.150 nan 0.000 0.455 116 A N -0.537 122.251 122.820 -0.053 0.000 2.067 116 A HA 0.070 4.391 4.320 0.001 0.000 0.217 116 A C 1.967 179.526 177.584 -0.042 0.000 1.156 116 A CA 1.540 53.550 52.037 -0.045 0.000 0.683 116 A CB -0.124 18.850 19.000 -0.043 0.000 0.808 116 A HN 0.414 nan 8.150 nan 0.000 0.455 117 K N -1.568 118.803 120.400 -0.048 0.000 2.334 117 K HA 0.349 4.670 4.320 0.001 0.000 0.195 117 K C 1.126 177.690 176.600 -0.060 0.000 1.045 117 K CA 0.625 56.876 56.287 -0.061 0.000 1.004 117 K CB 0.245 32.696 32.500 -0.083 0.000 0.837 117 K HN 0.587 nan 8.250 nan 0.000 0.510 118 G N 0.609 109.380 108.800 -0.048 0.000 2.598 118 G HA2 -0.286 3.675 3.960 0.001 0.000 0.244 118 G HA3 -0.286 3.675 3.960 0.001 0.000 0.244 118 G C -0.469 174.406 174.900 -0.041 0.000 1.302 118 G CA -0.424 44.653 45.100 -0.038 0.000 0.903 118 G HN 0.005 nan 8.290 nan 0.000 0.575 119 V N 1.816 121.713 119.914 -0.027 0.000 2.529 119 V HA 0.387 4.508 4.120 0.001 0.000 0.292 119 V C 0.820 176.889 176.094 -0.041 0.000 1.028 119 V CA 0.971 63.260 62.300 -0.018 0.000 1.074 119 V CB 0.848 32.670 31.823 -0.001 0.000 0.958 119 V HN 0.689 nan 8.190 nan 0.000 0.481 120 E N 2.341 122.515 120.200 -0.044 0.000 2.370 120 E HA 0.247 4.598 4.350 0.001 0.000 0.259 120 E C 0.399 177.028 176.600 0.048 0.000 0.947 120 E CA -0.684 55.649 56.400 -0.111 0.000 0.809 120 E CB 1.507 30.960 29.700 -0.411 0.000 1.300 120 E HN 0.709 nan 8.360 nan 0.000 0.419 121 D N 0.482 120.954 120.400 0.120 0.000 2.088 121 D HA -0.179 4.462 4.640 0.001 0.000 0.191 121 D C 1.709 178.116 176.300 0.178 0.000 0.992 121 D CA 1.615 55.719 54.000 0.173 0.000 0.831 121 D CB 0.265 41.177 40.800 0.186 0.000 0.973 121 D HN 0.206 nan 8.370 nan 0.000 0.447 122 R N -0.492 120.144 120.500 0.227 0.000 2.139 122 R HA -0.108 4.233 4.340 0.001 0.000 0.243 122 R C 2.256 178.587 176.300 0.052 0.000 1.145 122 R CA 1.571 57.679 56.100 0.014 0.000 0.976 122 R CB -0.631 29.502 30.300 -0.280 0.000 0.866 122 R HN 0.376 nan 8.270 nan 0.000 0.449 123 T N 0.466 115.086 114.554 0.110 0.000 2.708 123 T HA -0.138 4.213 4.350 0.001 0.000 0.266 123 T C 1.843 176.566 174.700 0.040 0.000 1.037 123 T CA 1.238 63.377 62.100 0.066 0.000 1.146 123 T CB -0.135 68.772 68.868 0.066 0.000 0.865 123 T HN 0.361 nan 8.240 nan 0.000 0.435 124 R N 1.101 121.628 120.500 0.045 0.000 2.073 124 R HA -0.018 4.323 4.340 0.001 0.000 0.234 124 R C 2.613 178.919 176.300 0.009 0.000 1.134 124 R CA 1.267 57.384 56.100 0.028 0.000 0.952 124 R CB -0.206 30.115 30.300 0.035 0.000 0.850 124 R HN 0.381 nan 8.270 nan 0.000 0.433 125 K N 0.623 121.029 120.400 0.011 0.000 2.097 125 K HA -0.097 4.224 4.320 0.001 0.000 0.206 125 K C 2.132 178.644 176.600 -0.146 0.000 1.049 125 K CA 1.137 57.400 56.287 -0.040 0.000 0.933 125 K CB -0.106 32.413 32.500 0.032 0.000 0.717 125 K HN 0.135 nan 8.250 nan 0.000 0.442 126 L N 0.219 121.395 121.223 -0.080 0.000 2.072 126 L HA -0.108 4.233 4.340 0.001 0.000 0.205 126 L C 2.531 179.357 176.870 -0.073 0.000 1.079 126 L CA 0.604 55.386 54.840 -0.097 0.000 0.752 126 L CB -0.283 41.771 42.059 -0.009 0.000 0.906 126 L HN 0.223 nan 8.230 nan 0.000 0.436 127 M N -0.286 119.296 119.600 -0.031 0.000 2.202 127 M HA -0.240 4.241 4.480 0.001 0.000 0.262 127 M C 2.169 178.457 176.300 -0.019 0.000 1.063 127 M CA 1.600 56.892 55.300 -0.012 0.000 1.097 127 M CB -0.767 31.837 32.600 0.007 0.000 1.382 127 M HN 0.319 nan 8.290 nan 0.000 0.413 128 E N -0.373 119.806 120.200 -0.035 0.000 2.106 128 E HA -0.141 4.210 4.350 0.001 0.000 0.192 128 E C 1.908 178.504 176.600 -0.006 0.000 0.984 128 E CA 1.075 57.465 56.400 -0.017 0.000 0.806 128 E CB 0.287 29.976 29.700 -0.019 0.000 0.750 128 E HN 0.274 nan 8.360 nan 0.000 0.458 129 V N 0.250 120.126 119.914 -0.064 0.000 2.453 129 V HA -0.191 3.930 4.120 0.001 0.000 0.247 129 V C 2.393 178.514 176.094 0.045 0.000 1.048 129 V CA 1.902 64.207 62.300 0.007 0.000 1.049 129 V CB -0.549 31.144 31.823 -0.217 0.000 0.672 129 V HN 0.315 nan 8.190 nan 0.000 0.457 130 T N -0.294 114.259 114.554 -0.001 0.000 2.759 130 T HA -0.200 4.151 4.350 0.001 0.000 0.269 130 T C 1.966 176.670 174.700 0.006 0.000 1.042 130 T CA 1.403 63.506 62.100 0.005 0.000 1.140 130 T CB -0.235 68.632 68.868 -0.003 0.000 0.864 130 T HN 0.405 nan 8.240 nan 0.000 0.455 131 R N 0.465 120.970 120.500 0.009 0.000 2.280 131 R HA 0.132 4.473 4.340 0.001 0.000 0.207 131 R C 2.234 178.538 176.300 0.006 0.000 1.043 131 R CA 0.332 56.434 56.100 0.004 0.000 1.006 131 R CB -0.348 29.957 30.300 0.008 0.000 0.885 131 R HN 0.422 nan 8.270 nan 0.000 0.467 132 L N 0.278 121.513 121.223 0.020 0.000 2.081 132 L HA -0.212 4.129 4.340 0.001 0.000 0.212 132 L C 1.670 178.532 176.870 -0.013 0.000 1.080 132 L CA 1.717 56.561 54.840 0.006 0.000 0.754 132 L CB -0.179 41.890 42.059 0.017 0.000 0.893 132 L HN 0.176 nan 8.230 nan 0.000 0.433 133 R N -1.242 119.251 120.500 -0.012 0.000 2.508 133 R HA 0.111 4.452 4.340 0.001 0.000 0.300 133 R C -0.499 175.781 176.300 -0.034 0.000 0.970 133 R CA -0.231 55.853 56.100 -0.025 0.000 1.102 133 R CB 0.449 30.734 30.300 -0.025 0.000 1.246 133 R HN 0.084 nan 8.270 nan 0.000 0.539 134 D N 2.052 122.433 120.400 -0.032 0.000 2.686 134 D HA -0.129 4.512 4.640 0.001 0.000 0.235 134 D C -0.654 175.603 176.300 -0.071 0.000 1.160 134 D CA 1.365 55.337 54.000 -0.046 0.000 0.645 134 D CB -1.132 39.637 40.800 -0.051 0.000 1.039 134 D HN 0.188 nan 8.370 nan 0.000 0.423 135 T N 1.606 116.126 114.554 -0.058 0.000 2.908 135 T HA 0.208 4.558 4.350 0.001 0.000 0.301 135 T C -1.859 172.768 174.700 -0.122 0.000 1.019 135 T CA -0.678 61.378 62.100 -0.073 0.000 1.152 135 T CB 0.857 69.705 68.868 -0.034 0.000 0.966 135 T HN 0.066 nan 8.240 nan 0.000 0.540 136 P HA 0.285 nan 4.420 nan 0.000 0.268 136 P C -0.688 176.519 177.300 -0.155 0.000 1.205 136 P CA -0.187 62.647 63.100 -0.444 0.000 0.771 136 P CB 0.321 31.457 31.700 -0.939 0.000 0.858 137 I N 2.753 123.328 120.570 0.009 0.000 2.509 137 I HA 0.326 4.497 4.170 0.001 0.000 0.293 137 I C 0.037 176.419 176.117 0.442 0.000 1.020 137 I CA -0.580 60.844 61.300 0.207 0.000 1.088 137 I CB 1.511 39.589 38.000 0.130 0.000 1.267 137 I HN 0.075 nan 8.210 nan 0.000 0.430 138 L N 4.992 126.446 121.223 0.386 0.000 2.322 138 L HA 0.661 5.002 4.340 0.001 0.000 0.279 138 L C -0.334 176.705 176.870 0.282 0.000 1.036 138 L CA -0.499 54.562 54.840 0.368 0.000 0.807 138 L CB 1.715 43.962 42.059 0.312 0.000 1.226 138 L HN 0.535 nan 8.230 nan 0.000 0.433 139 T N 1.932 116.659 114.554 0.288 0.000 2.829 139 T HA 0.487 4.838 4.350 0.001 0.000 0.280 139 T C -1.048 173.815 174.700 0.271 0.000 0.999 139 T CA -0.309 61.913 62.100 0.204 0.000 0.983 139 T CB 1.508 70.431 68.868 0.091 0.000 0.968 139 T HN 0.307 nan 8.240 nan 0.000 0.446 140 F N 4.274 124.239 119.950 0.026 0.000 2.577 140 F HA 0.469 4.997 4.527 0.001 0.000 0.344 140 F C -0.483 175.236 175.800 -0.135 0.000 1.145 140 F CA -1.202 56.785 58.000 -0.022 0.000 0.996 140 F CB 1.035 40.026 39.000 -0.014 0.000 1.248 140 F HN 0.306 nan 8.300 nan 0.000 0.447 141 M N 4.820 124.065 119.600 -0.592 0.000 2.266 141 M HA 0.120 4.600 4.480 0.001 0.000 0.340 141 M C -0.248 175.771 176.300 -0.468 0.000 1.486 141 M CA 0.220 55.208 55.300 -0.520 0.000 1.209 141 M CB -0.381 31.741 32.600 -0.796 0.000 1.714 141 M HN 0.579 nan 8.290 nan 0.000 0.459 142 N N 3.134 121.767 118.700 -0.113 0.000 2.495 142 N HA 0.298 5.039 4.740 0.001 0.000 0.280 142 N C -0.392 175.085 175.510 -0.055 0.000 1.168 142 N CA 0.041 53.125 53.050 0.056 0.000 0.978 142 N CB 0.884 39.513 38.487 0.237 0.000 1.191 142 N HN 0.519 nan 8.380 nan 0.000 0.497 143 K N 1.234 121.599 120.400 -0.058 0.000 3.294 143 K HA -0.100 4.221 4.320 0.001 0.000 0.277 143 K C 0.036 176.500 176.600 -0.227 0.000 1.235 143 K CA 0.043 56.265 56.287 -0.107 0.000 0.818 143 K CB -1.576 30.887 32.500 -0.063 0.000 1.371 143 K HN 0.474 nan 8.250 nan 0.000 0.520 144 L N 0.625 121.597 121.223 -0.419 0.000 2.549 144 L HA -0.108 4.233 4.340 0.001 0.000 0.229 144 L C 1.394 177.866 176.870 -0.663 0.000 1.158 144 L CA 1.797 56.201 54.840 -0.727 0.000 0.842 144 L CB -0.738 40.433 42.059 -1.480 0.000 0.952 144 L HN 0.301 nan 8.230 nan 0.000 0.452 145 D N -0.417 119.755 120.400 -0.380 0.000 2.133 145 D HA -0.137 4.503 4.640 0.001 0.000 0.195 145 D C 1.093 177.351 176.300 -0.070 0.000 0.997 145 D CA 1.125 55.049 54.000 -0.127 0.000 0.840 145 D CB 0.142 40.925 40.800 -0.027 0.000 0.947 145 D HN 0.103 nan 8.370 nan 0.000 0.452 146 R N 0.932 121.373 120.500 -0.097 0.000 2.700 146 R HA 0.315 4.656 4.340 0.001 0.000 0.253 146 R C -0.481 175.774 176.300 -0.075 0.000 1.091 146 R CA -0.827 55.239 56.100 -0.057 0.000 1.104 146 R CB 0.186 30.460 30.300 -0.043 0.000 1.202 146 R HN -0.009 nan 8.270 nan 0.000 0.532 147 D N 1.403 121.776 120.400 -0.045 0.000 2.414 147 D HA 0.187 4.828 4.640 0.001 0.000 0.242 147 D C 0.441 176.707 176.300 -0.057 0.000 1.129 147 D CA 0.284 54.258 54.000 -0.044 0.000 0.885 147 D CB 0.627 41.413 40.800 -0.023 0.000 1.198 147 D HN 0.363 nan 8.370 nan 0.000 0.437 148 I N -2.308 118.224 120.570 -0.062 0.000 2.892 148 I HA 0.499 4.670 4.170 0.001 0.000 0.306 148 I C 0.238 176.331 176.117 -0.040 0.000 1.078 148 I CA -1.264 59.999 61.300 -0.062 0.000 1.032 148 I CB 1.953 39.901 38.000 -0.086 0.000 1.229 148 I HN -0.015 nan 8.210 nan 0.000 0.435 149 R N 1.264 121.745 120.500 -0.031 0.000 2.905 149 R HA 0.009 4.350 4.340 0.001 0.000 0.273 149 R C -0.428 175.866 176.300 -0.010 0.000 1.033 149 R CA -0.237 55.854 56.100 -0.015 0.000 1.182 149 R CB 0.096 30.391 30.300 -0.009 0.000 1.097 149 R HN 0.720 nan 8.270 nan 0.000 0.504 150 D N 1.780 122.185 120.400 0.008 0.000 2.412 150 D HA 0.000 4.641 4.640 0.001 0.000 0.257 150 D C -1.421 174.901 176.300 0.037 0.000 1.217 150 D CA -1.590 52.424 54.000 0.023 0.000 0.897 150 D CB 0.894 41.720 40.800 0.044 0.000 1.132 150 D HN 0.157 nan 8.370 nan 0.000 0.493 151 P HA -0.220 nan 4.420 nan 0.000 0.218 151 P C 1.393 178.801 177.300 0.180 0.000 1.146 151 P CA 0.936 64.012 63.100 -0.040 0.000 0.813 151 P CB 0.105 31.470 31.700 -0.558 0.000 0.778 152 M N -0.035 119.732 119.600 0.278 0.000 2.254 152 M HA -0.106 4.374 4.480 0.001 0.000 0.265 152 M C 2.174 178.579 176.300 0.176 0.000 1.066 152 M CA 1.633 57.115 55.300 0.302 0.000 1.123 152 M CB -0.794 31.946 32.600 0.234 0.000 1.388 152 M HN -0.150 nan 8.290 nan 0.000 0.425 153 E N -0.215 120.056 120.200 0.119 0.000 2.072 153 E HA -0.180 4.171 4.350 0.001 0.000 0.191 153 E C 1.857 178.500 176.600 0.072 0.000 0.985 153 E CA 1.221 57.668 56.400 0.078 0.000 0.801 153 E CB -0.243 29.488 29.700 0.051 0.000 0.750 153 E HN 0.553 nan 8.360 nan 0.000 0.452 154 L N 0.235 121.503 121.223 0.076 0.000 2.043 154 L HA -0.232 4.108 4.340 0.001 0.000 0.212 154 L C 2.362 179.277 176.870 0.075 0.000 1.075 154 L CA 0.608 55.483 54.840 0.057 0.000 0.752 154 L CB -0.395 41.693 42.059 0.048 0.000 0.891 154 L HN 0.273 nan 8.230 nan 0.000 0.432 155 L N -0.369 120.934 121.223 0.134 0.000 2.027 155 L HA -0.214 4.127 4.340 0.001 0.000 0.206 155 L C 2.065 178.991 176.870 0.094 0.000 1.074 155 L CA 1.765 56.688 54.840 0.139 0.000 0.745 155 L CB -0.856 41.333 42.059 0.216 0.000 0.898 155 L HN 0.174 nan 8.230 nan 0.000 0.433 156 D N -0.763 119.689 120.400 0.087 0.000 2.149 156 D HA -0.190 4.450 4.640 0.001 0.000 0.198 156 D C 2.181 178.507 176.300 0.044 0.000 0.990 156 D CA 1.099 55.135 54.000 0.060 0.000 0.839 156 D CB 0.077 40.910 40.800 0.054 0.000 0.948 156 D HN 0.375 nan 8.370 nan 0.000 0.460 157 E N -0.304 119.920 120.200 0.042 0.000 2.051 157 E HA -0.138 4.212 4.350 0.001 0.000 0.192 157 E C 2.149 178.765 176.600 0.026 0.000 0.991 157 E CA 0.652 57.069 56.400 0.028 0.000 0.799 157 E CB 0.131 29.842 29.700 0.020 0.000 0.748 157 E HN 0.093 nan 8.360 nan 0.000 0.449 158 V N 1.485 121.418 119.914 0.032 0.000 2.295 158 V HA -0.260 3.861 4.120 0.001 0.000 0.246 158 V C 2.069 178.183 176.094 0.033 0.000 1.049 158 V CA 1.886 64.205 62.300 0.032 0.000 1.024 158 V CB -0.440 31.405 31.823 0.036 0.000 0.648 158 V HN 0.260 nan 8.190 nan 0.000 0.447 159 E N 0.236 120.458 120.200 0.037 0.000 2.072 159 E HA -0.182 4.169 4.350 0.001 0.000 0.191 159 E C 1.959 178.574 176.600 0.025 0.000 0.985 159 E CA 1.287 57.706 56.400 0.032 0.000 0.801 159 E CB -0.237 29.484 29.700 0.035 0.000 0.750 159 E HN 0.593 nan 8.360 nan 0.000 0.452 160 N N 0.489 119.204 118.700 0.024 0.000 2.416 160 N HA -0.063 4.678 4.740 0.001 0.000 0.177 160 N C 1.358 176.878 175.510 0.017 0.000 1.036 160 N CA 0.702 53.764 53.050 0.019 0.000 0.901 160 N CB 0.249 38.747 38.487 0.019 0.000 0.976 160 N HN 0.300 nan 8.380 nan 0.000 0.444 161 E N 0.053 120.264 120.200 0.019 0.000 2.206 161 E HA 0.188 4.539 4.350 0.001 0.000 0.195 161 E C 1.197 177.808 176.600 0.019 0.000 0.935 161 E CA 0.210 56.621 56.400 0.018 0.000 0.875 161 E CB 0.404 30.114 29.700 0.017 0.000 0.841 161 E HN 0.170 nan 8.360 nan 0.000 0.477 162 L N 0.473 121.708 121.223 0.020 0.000 2.640 162 L HA 0.219 4.560 4.340 0.001 0.000 0.230 162 L C 0.036 176.917 176.870 0.018 0.000 1.123 162 L CA -0.001 54.852 54.840 0.020 0.000 0.900 162 L CB 0.033 42.107 42.059 0.024 0.000 1.146 162 L HN -0.026 nan 8.230 nan 0.000 0.484 163 K N 0.788 121.199 120.400 0.017 0.000 3.069 163 K HA -0.187 4.134 4.320 0.001 0.000 0.267 163 K C -0.201 176.406 176.600 0.013 0.000 1.082 163 K CA 0.741 57.036 56.287 0.014 0.000 0.782 163 K CB -1.495 31.011 32.500 0.010 0.000 1.230 163 K HN 0.340 nan 8.250 nan 0.000 0.488 164 I N -0.182 120.399 120.570 0.019 0.000 2.582 164 I HA 0.371 4.542 4.170 0.001 0.000 0.292 164 I C 0.437 176.572 176.117 0.030 0.000 1.066 164 I CA -0.699 60.614 61.300 0.022 0.000 1.053 164 I CB 1.517 39.535 38.000 0.029 0.000 1.241 164 I HN 0.141 nan 8.210 nan 0.000 0.421 165 G N 5.895 114.710 108.800 0.025 0.000 2.442 165 G HA2 0.334 4.295 3.960 0.001 0.000 0.249 165 G HA3 0.334 4.295 3.960 0.001 0.000 0.249 165 G C -0.670 174.260 174.900 0.049 0.000 1.263 165 G CA -0.189 44.929 45.100 0.029 0.000 0.846 165 G HN 0.672 nan 8.290 nan 0.000 0.555 166 C N 0.974 120.310 119.300 0.060 0.000 2.365 166 C HA 0.764 5.225 4.460 0.001 0.000 0.351 166 C C 0.712 175.754 174.990 0.087 0.000 1.240 166 C CA -0.227 58.840 59.018 0.081 0.000 2.062 166 C CB 0.627 28.427 27.740 0.101 0.000 2.387 166 C HN 0.922 nan 8.230 nan 0.000 0.537 167 A N 4.438 127.316 122.820 0.097 0.000 2.545 167 A HA 0.631 4.952 4.320 0.001 0.000 0.300 167 A C -2.932 174.711 177.584 0.099 0.000 1.252 167 A CA -1.106 51.000 52.037 0.115 0.000 0.753 167 A CB 0.281 19.369 19.000 0.146 0.000 1.144 167 A HN 0.645 nan 8.150 nan 0.000 0.457 168 P HA 0.144 nan 4.420 nan 0.000 0.266 168 P C 0.407 177.778 177.300 0.119 0.000 1.215 168 P CA 0.075 63.300 63.100 0.209 0.000 0.763 168 P CB 0.622 32.550 31.700 0.379 0.000 0.806 169 I N 1.708 122.197 120.570 -0.134 0.000 2.731 169 I HA 0.016 4.187 4.170 0.001 0.000 0.260 169 I C 1.341 177.298 176.117 -0.267 0.000 1.138 169 I CA 1.360 62.499 61.300 -0.268 0.000 1.461 169 I CB -0.583 37.009 38.000 -0.681 0.000 1.128 169 I HN 0.316 nan 8.210 nan 0.000 0.438 170 T N -2.693 111.835 114.554 -0.043 0.000 2.930 170 T HA 0.432 4.783 4.350 0.001 0.000 0.290 170 T C -1.068 173.904 174.700 0.453 0.000 1.052 170 T CA -0.657 61.575 62.100 0.220 0.000 1.017 170 T CB 2.185 71.272 68.868 0.365 0.000 1.137 170 T HN 0.200 nan 8.240 nan 0.000 0.511 171 W N 2.621 123.975 121.300 0.089 0.000 3.259 171 W HA 0.386 5.046 4.660 0.001 0.000 0.331 171 W C -3.051 173.376 176.519 -0.152 0.000 1.144 171 W CA -2.453 54.764 57.345 -0.215 0.000 1.227 171 W CB 2.449 31.869 29.460 -0.067 0.000 1.371 171 W HN 0.568 nan 8.180 nan 0.000 0.491 172 P HA 0.303 nan 4.420 nan 0.000 0.278 172 P C -0.621 176.624 177.300 -0.091 0.000 1.238 172 P CA 0.054 63.005 63.100 -0.250 0.000 0.794 172 P CB 1.855 33.320 31.700 -0.391 0.000 0.955 173 I N 1.730 122.351 120.570 0.086 0.000 2.428 173 I HA 0.418 4.589 4.170 0.001 0.000 0.279 173 I C 0.886 177.051 176.117 0.082 0.000 1.040 173 I CA -0.038 61.304 61.300 0.070 0.000 1.171 173 I CB 0.498 38.532 38.000 0.058 0.000 1.312 173 I HN 0.652 nan 8.210 nan 0.000 0.470 174 G N 4.902 113.746 108.800 0.074 0.000 2.855 174 G HA2 -0.154 3.807 3.960 0.001 0.000 0.352 174 G HA3 -0.154 3.807 3.960 0.001 0.000 0.352 174 G C -0.450 174.552 174.900 0.169 0.000 1.415 174 G CA -0.358 44.797 45.100 0.092 0.000 0.871 174 G HN 1.079 nan 8.290 nan 0.000 0.543 175 C N -1.693 117.680 119.300 0.121 0.000 3.314 175 C HA 1.133 5.594 4.460 0.001 0.000 0.344 175 C C 1.518 176.549 174.990 0.068 0.000 1.461 175 C CA 0.755 59.824 59.018 0.085 0.000 1.249 175 C CB 1.198 28.907 27.740 -0.051 0.000 1.632 175 C HN 3.281 nan 8.230 nan 0.000 0.452 176 G N 1.353 110.162 108.800 0.016 0.000 2.509 176 G HA2 -0.174 3.786 3.960 0.001 0.000 0.259 176 G HA3 -0.174 3.786 3.960 0.001 0.000 0.259 176 G C 0.407 175.363 174.900 0.093 0.000 1.169 176 G CA 0.434 45.552 45.100 0.031 0.000 0.953 176 G HN 1.136 nan 8.290 nan 0.000 0.563 177 K N -0.036 120.412 120.400 0.080 0.000 2.439 177 K HA 0.115 4.436 4.320 0.001 0.000 0.197 177 K C 1.748 178.411 176.600 0.105 0.000 1.041 177 K CA 0.717 57.061 56.287 0.094 0.000 0.970 177 K CB 0.068 32.604 32.500 0.060 0.000 0.773 177 K HN 0.220 nan 8.250 nan 0.000 0.479 178 L N 0.632 121.917 121.223 0.104 0.000 2.685 178 L HA 0.173 4.514 4.340 0.001 0.000 0.233 178 L C -0.067 176.894 176.870 0.152 0.000 1.173 178 L CA -0.185 54.713 54.840 0.097 0.000 0.961 178 L CB -0.872 41.226 42.059 0.064 0.000 1.217 178 L HN -0.034 nan 8.230 nan 0.000 0.478 179 F N 0.916 120.875 119.950 0.014 0.000 2.466 179 F HA 0.178 4.705 4.527 0.001 0.000 0.363 179 F C 1.353 177.189 175.800 0.059 0.000 1.109 179 F CA 0.120 58.113 58.000 -0.011 0.000 1.161 179 F CB 0.448 39.388 39.000 -0.099 0.000 1.117 179 F HN -0.043 nan 8.300 nan 0.000 0.539 180 K N 3.917 124.122 120.400 -0.325 0.000 2.354 180 K HA 0.431 4.751 4.320 0.001 0.000 0.194 180 K C 0.848 177.177 176.600 -0.451 0.000 1.038 180 K CA 0.610 56.730 56.287 -0.278 0.000 1.052 180 K CB 0.446 32.879 32.500 -0.112 0.000 0.861 180 K HN 0.840 nan 8.250 nan 0.000 0.535 181 G N 0.640 108.912 108.800 -0.880 0.000 2.339 181 G HA2 0.113 4.074 3.960 0.001 0.000 0.275 181 G HA3 0.113 4.074 3.960 0.001 0.000 0.275 181 G C -1.517 173.352 174.900 -0.053 0.000 1.323 181 G CA -0.365 44.401 45.100 -0.556 0.000 0.927 181 G HN 0.085 nan 8.290 nan 0.000 0.486 182 V N -2.682 117.506 119.914 0.457 0.000 3.102 182 V HA 0.892 5.013 4.120 0.001 0.000 0.312 182 V C -1.005 175.393 176.094 0.507 0.000 1.135 182 V CA -1.148 61.450 62.300 0.497 0.000 1.022 182 V CB 1.905 34.097 31.823 0.616 0.000 1.056 182 V HN 1.874 nan 8.190 nan 0.000 0.436 183 Y N 1.226 121.714 120.300 0.313 0.000 2.326 183 Y HA 0.609 5.160 4.550 0.001 0.000 0.331 183 Y C -0.205 175.857 175.900 0.269 0.000 0.962 183 Y CA -0.620 57.629 58.100 0.248 0.000 1.167 183 Y CB 1.230 39.790 38.460 0.168 0.000 1.148 183 Y HN 1.010 nan 8.280 nan 0.000 0.463 184 H N 5.970 124.813 119.070 -0.377 0.000 2.955 184 H HA 0.153 4.710 4.556 0.002 0.000 0.290 184 H C 0.484 175.384 175.328 -0.713 0.000 1.047 184 H CA 0.242 56.104 56.048 -0.310 0.000 1.484 184 H CB 0.880 30.566 29.762 -0.127 0.000 1.501 184 H HN 0.899 nan 8.280 nan 0.000 0.521 185 L N 4.549 125.553 121.223 -0.365 0.000 2.131 185 L HA -0.206 4.135 4.340 0.001 0.000 0.210 185 L C 1.140 177.788 176.870 -0.371 0.000 1.092 185 L CA 1.520 56.153 54.840 -0.346 0.000 0.759 185 L CB -0.475 41.391 42.059 -0.322 0.000 0.903 185 L HN 0.753 nan 8.230 nan 0.000 0.435 186 Y N -1.498 118.850 120.300 0.081 0.000 2.497 186 Y HA 0.076 4.626 4.550 0.001 0.000 0.265 186 Y C 2.136 178.112 175.900 0.127 0.000 1.111 186 Y CA 0.339 58.533 58.100 0.157 0.000 1.288 186 Y CB 0.010 38.593 38.460 0.206 0.000 1.082 186 Y HN 0.022 nan 8.280 nan 0.000 0.536 187 K N -0.351 120.184 120.400 0.226 0.000 2.360 187 K HA 0.021 4.341 4.320 0.001 0.000 0.196 187 K C -0.175 176.369 176.600 -0.093 0.000 1.049 187 K CA 0.553 56.807 56.287 -0.055 0.000 1.049 187 K CB 0.451 32.735 32.500 -0.361 0.000 0.881 187 K HN 0.001 nan 8.250 nan 0.000 0.542 188 D N 2.204 122.521 120.400 -0.139 0.000 2.699 188 D HA -0.180 4.460 4.640 0.001 0.000 0.239 188 D C -0.999 175.287 176.300 -0.024 0.000 1.136 188 D CA 1.184 55.136 54.000 -0.080 0.000 0.668 188 D CB -0.811 40.017 40.800 0.047 0.000 1.060 188 D HN 0.589 nan 8.370 nan 0.000 0.429 189 E N -1.842 118.243 120.200 -0.192 0.000 2.433 189 E HA 0.652 5.003 4.350 0.001 0.000 0.278 189 E C -1.224 175.317 176.600 -0.098 0.000 0.976 189 E CA -1.033 55.300 56.400 -0.111 0.000 0.793 189 E CB 1.416 30.966 29.700 -0.249 0.000 1.311 189 E HN -0.027 nan 8.360 nan 0.000 0.460 190 T N 1.879 116.420 114.554 -0.022 0.000 2.791 190 T HA 0.327 4.677 4.350 0.001 0.000 0.288 190 T C -1.264 173.440 174.700 0.007 0.000 0.999 190 T CA -0.427 61.736 62.100 0.104 0.000 0.952 190 T CB 0.051 69.034 68.868 0.192 0.000 0.938 190 T HN 0.274 nan 8.240 nan 0.000 0.444 191 Y N 2.679 123.147 120.300 0.279 0.000 2.359 191 Y HA 0.388 4.939 4.550 0.001 0.000 0.334 191 Y C 0.172 176.326 175.900 0.424 0.000 1.058 191 Y CA -1.192 57.136 58.100 0.380 0.000 1.244 191 Y CB 0.453 39.213 38.460 0.500 0.000 1.187 191 Y HN 0.295 nan 8.280 nan 0.000 0.510 192 L N 4.549 126.024 121.223 0.419 0.000 2.292 192 L HA 0.186 4.527 4.340 0.001 0.000 0.284 192 L C -0.574 176.367 176.870 0.118 0.000 1.065 192 L CA -1.108 53.842 54.840 0.183 0.000 0.806 192 L CB -0.017 42.100 42.059 0.097 0.000 1.175 192 L HN 0.536 nan 8.230 nan 0.000 0.431 193 Y N 3.687 123.716 120.300 -0.452 0.000 2.313 193 Y HA 0.399 4.949 4.550 0.001 0.000 0.332 193 Y C -0.015 175.695 175.900 -0.317 0.000 1.071 193 Y CA -0.331 57.306 58.100 -0.771 0.000 1.169 193 Y CB 0.840 38.450 38.460 -1.417 0.000 1.192 193 Y HN 0.662 nan 8.280 nan 0.000 0.487 194 Q N 4.712 124.057 119.800 -0.758 0.000 2.322 194 Q HA 0.362 4.702 4.340 0.001 0.000 0.265 194 Q C -0.837 174.611 176.000 -0.919 0.000 0.985 194 Q CA -0.661 54.780 55.803 -0.603 0.000 0.849 194 Q CB 1.447 30.037 28.738 -0.246 0.000 1.274 194 Q HN 0.825 nan 8.270 nan 0.000 0.449 195 S N 1.874 117.173 115.700 -0.670 0.000 2.585 195 S HA 0.480 4.951 4.470 0.001 0.000 0.273 195 S C 0.773 175.261 174.600 -0.188 0.000 1.339 195 S CA 1.062 59.005 58.200 -0.430 0.000 1.028 195 S CB 0.474 63.582 63.200 -0.154 0.000 0.906 195 S HN 1.024 nan 8.310 nan 0.000 0.528 196 G N 3.213 111.977 108.800 -0.058 0.000 2.136 196 G HA2 -0.187 3.774 3.960 0.001 0.000 0.242 196 G HA3 -0.187 3.774 3.960 0.001 0.000 0.242 196 G C 0.780 175.686 174.900 0.010 0.000 0.989 196 G CA 0.554 45.653 45.100 -0.001 0.000 0.682 196 G HN 0.595 nan 8.290 nan 0.000 0.522 197 K N -0.445 119.957 120.400 0.003 0.000 2.079 197 K HA 0.352 4.672 4.320 0.001 0.000 0.214 197 K C 2.459 179.076 176.600 0.028 0.000 1.024 197 K CA 1.355 57.657 56.287 0.025 0.000 0.948 197 K CB -0.934 31.581 32.500 0.025 0.000 0.830 197 K HN 1.148 nan 8.250 nan 0.000 0.452 198 G N 1.657 110.468 108.800 0.018 0.000 3.718 198 G HA2 -0.341 3.619 3.960 0.001 0.000 0.224 198 G HA3 -0.341 3.619 3.960 0.001 0.000 0.224 198 G C 1.077 175.841 174.900 -0.226 0.000 1.328 198 G CA 1.130 46.169 45.100 -0.101 0.000 0.974 198 G HN 0.478 nan 8.290 nan 0.000 0.579 199 H N 2.037 121.102 119.070 -0.007 0.000 2.548 199 H HA 0.214 4.771 4.556 0.001 0.000 0.265 199 H C 1.834 177.127 175.328 -0.058 0.000 0.969 199 H CA 1.708 57.735 56.048 -0.035 0.000 1.155 199 H CB 0.192 29.941 29.762 -0.023 0.000 1.394 199 H HN 0.748 nan 8.280 nan 0.000 0.570 200 T N -1.842 112.731 114.554 0.030 0.000 2.841 200 T HA 0.507 4.857 4.350 0.001 0.000 0.276 200 T C 0.303 174.955 174.700 -0.080 0.000 1.003 200 T CA -0.857 61.228 62.100 -0.024 0.000 0.995 200 T CB 1.565 70.436 68.868 0.005 0.000 1.260 200 T HN -0.046 nan 8.240 nan 0.000 0.581 201 I N 2.298 122.812 120.570 -0.094 0.000 2.291 201 I HA 0.170 4.341 4.170 0.001 0.000 0.292 201 I C 0.902 177.045 176.117 0.043 0.000 1.064 201 I CA -0.671 60.584 61.300 -0.075 0.000 1.269 201 I CB 0.741 38.680 38.000 -0.103 0.000 1.418 201 I HN 0.627 nan 8.210 nan 0.000 0.485 202 Q N 4.688 124.544 119.800 0.095 0.000 2.427 202 Q HA -0.028 4.313 4.340 0.001 0.000 0.310 202 Q C 0.063 176.143 176.000 0.132 0.000 1.167 202 Q CA 0.360 56.235 55.803 0.121 0.000 0.991 202 Q CB 0.530 29.383 28.738 0.192 0.000 1.287 202 Q HN 0.523 nan 8.270 nan 0.000 0.443 203 E N 0.454 120.719 120.200 0.109 0.000 2.413 203 E HA 0.038 4.389 4.350 0.001 0.000 0.263 203 E C -0.959 175.744 176.600 0.171 0.000 1.015 203 E CA -0.237 56.232 56.400 0.116 0.000 0.916 203 E CB 0.747 30.497 29.700 0.083 0.000 0.947 203 E HN 0.231 nan 8.360 nan 0.000 0.440 204 V N 5.907 125.931 119.914 0.183 0.000 2.385 204 V HA 0.203 4.324 4.120 0.001 0.000 0.269 204 V C 0.133 176.351 176.094 0.207 0.000 1.043 204 V CA -0.345 62.104 62.300 0.248 0.000 0.906 204 V CB 0.627 32.602 31.823 0.253 0.000 0.995 204 V HN 0.517 nan 8.190 nan 0.000 0.467 205 R N 6.144 126.784 120.500 0.233 0.000 2.387 205 R HA 0.672 5.013 4.340 0.001 0.000 0.314 205 R C -1.072 175.315 176.300 0.145 0.000 0.958 205 R CA -0.489 55.704 56.100 0.154 0.000 0.846 205 R CB 2.098 32.471 30.300 0.122 0.000 1.147 205 R HN 0.586 nan 8.270 nan 0.000 0.447 206 I N 2.642 123.246 120.570 0.058 0.000 2.447 206 I HA 0.274 4.445 4.170 0.001 0.000 0.287 206 I C -0.215 175.886 176.117 -0.026 0.000 1.023 206 I CA -1.211 60.066 61.300 -0.038 0.000 1.083 206 I CB 2.314 40.241 38.000 -0.122 0.000 1.245 206 I HN 0.126 nan 8.210 nan 0.000 0.434 207 V N 7.099 127.002 119.914 -0.018 0.000 2.407 207 V HA 0.264 4.384 4.120 0.001 0.000 0.278 207 V C 1.010 177.100 176.094 -0.007 0.000 1.037 207 V CA -0.567 61.734 62.300 0.000 0.000 0.900 207 V CB 1.357 33.194 31.823 0.023 0.000 0.983 207 V HN 0.693 nan 8.190 nan 0.000 0.459 208 K N 3.405 123.801 120.400 -0.007 0.000 2.029 208 K HA 0.114 4.435 4.320 0.001 0.000 0.205 208 K C 1.224 177.841 176.600 0.028 0.000 1.042 208 K CA 0.892 57.173 56.287 -0.010 0.000 0.949 208 K CB -0.217 32.273 32.500 -0.016 0.000 0.740 208 K HN 0.758 nan 8.250 nan 0.000 0.442 209 G N 1.898 110.716 108.800 0.030 0.000 2.442 209 G HA2 0.185 4.146 3.960 0.001 0.000 0.249 209 G HA3 0.185 4.146 3.960 0.001 0.000 0.249 209 G C 0.847 175.789 174.900 0.070 0.000 1.263 209 G CA -0.396 44.731 45.100 0.044 0.000 0.846 209 G HN 0.131 nan 8.290 nan 0.000 0.555 210 L N 1.397 122.675 121.223 0.093 0.000 2.093 210 L HA 0.008 4.348 4.340 0.001 0.000 0.208 210 L C 1.555 178.387 176.870 -0.064 0.000 1.085 210 L CA 1.489 56.327 54.840 -0.003 0.000 0.755 210 L CB -0.208 41.805 42.059 -0.076 0.000 0.904 210 L HN 0.512 nan 8.230 nan 0.000 0.435 211 N N 0.597 119.277 118.700 -0.033 0.000 2.378 211 N HA 0.035 4.775 4.740 0.001 0.000 0.243 211 N C -0.359 175.140 175.510 -0.019 0.000 1.137 211 N CA 0.011 53.039 53.050 -0.036 0.000 0.862 211 N CB -0.516 37.951 38.487 -0.033 0.000 1.116 211 N HN 0.508 nan 8.380 nan 0.000 0.499 212 N N 2.231 120.925 118.700 -0.010 0.000 2.430 212 N HA 0.084 4.825 4.740 0.001 0.000 0.265 212 N C -1.373 174.132 175.510 -0.008 0.000 1.100 212 N CA -1.560 51.488 53.050 -0.004 0.000 0.961 212 N CB 1.587 40.077 38.487 0.006 0.000 1.075 212 N HN -0.030 nan 8.380 nan 0.000 0.478 213 P HA -0.148 nan 4.420 nan 0.000 0.223 213 P C 0.118 177.416 177.300 -0.005 0.000 1.144 213 P CA 1.002 64.097 63.100 -0.008 0.000 0.783 213 P CB 0.296 31.992 31.700 -0.007 0.000 0.771 214 D N -0.251 120.148 120.400 -0.001 0.000 2.178 214 D HA -0.129 4.512 4.640 0.001 0.000 0.201 214 D C 1.919 178.221 176.300 0.003 0.000 0.980 214 D CA 0.749 54.750 54.000 0.002 0.000 0.842 214 D CB -0.489 40.314 40.800 0.005 0.000 0.948 214 D HN 0.137 nan 8.370 nan 0.000 0.472 215 L N 1.262 122.486 121.223 0.003 0.000 2.093 215 L HA -0.137 4.203 4.340 0.001 0.000 0.208 215 L C 1.154 178.022 176.870 -0.003 0.000 1.085 215 L CA 1.797 56.639 54.840 0.004 0.000 0.755 215 L CB -0.457 41.602 42.059 0.001 0.000 0.904 215 L HN -0.182 nan 8.230 nan 0.000 0.435 216 D N -0.100 120.295 120.400 -0.009 0.000 2.144 216 D HA -0.119 4.522 4.640 0.001 0.000 0.200 216 D C 2.196 178.492 176.300 -0.006 0.000 0.978 216 D CA 1.382 55.376 54.000 -0.010 0.000 0.833 216 D CB -0.225 40.568 40.800 -0.012 0.000 0.961 216 D HN 0.468 nan 8.370 nan 0.000 0.470 217 A N 0.512 123.329 122.820 -0.004 0.000 2.014 217 A HA 0.165 4.486 4.320 0.001 0.000 0.218 217 A C 2.169 179.752 177.584 -0.002 0.000 1.163 217 A CA 1.509 53.545 52.037 -0.003 0.000 0.652 217 A CB -0.480 18.519 19.000 -0.002 0.000 0.808 217 A HN 0.239 nan 8.150 nan 0.000 0.449 218 A N -1.334 121.486 122.820 0.000 0.000 2.021 218 A HA 0.322 4.643 4.320 0.001 0.000 0.216 218 A C 1.553 179.134 177.584 -0.005 0.000 1.163 218 A CA 1.538 53.575 52.037 0.000 0.000 0.676 218 A CB 0.064 19.069 19.000 0.009 0.000 0.818 218 A HN 0.488 nan 8.150 nan 0.000 0.453 219 V N -1.618 118.293 119.914 -0.004 0.000 3.382 219 V HA 0.432 4.553 4.120 0.001 0.000 0.296 219 V C 0.832 176.923 176.094 -0.004 0.000 1.529 219 V CA 0.363 62.659 62.300 -0.006 0.000 1.048 219 V CB -0.244 31.578 31.823 -0.003 0.000 0.878 219 V HN 1.137 nan 8.190 nan 0.000 0.442 220 G N 0.962 109.759 108.800 -0.004 0.000 2.767 220 G HA2 -0.183 3.778 3.960 0.001 0.000 0.686 220 G HA3 -0.183 3.778 3.960 0.001 0.000 0.686 220 G C 0.153 175.050 174.900 -0.005 0.000 1.213 220 G CA 0.146 45.245 45.100 -0.003 0.000 0.803 220 G HN 0.289 nan 8.290 nan 0.000 0.603 221 E N 0.153 120.349 120.200 -0.006 0.000 2.265 221 E HA -0.113 4.237 4.350 0.001 0.000 0.196 221 E C 1.940 178.535 176.600 -0.008 0.000 0.996 221 E CA 1.212 57.606 56.400 -0.009 0.000 0.832 221 E CB 0.043 29.738 29.700 -0.009 0.000 0.756 221 E HN 0.625 nan 8.360 nan 0.000 0.491 222 D N 0.241 120.639 120.400 -0.004 0.000 2.087 222 D HA -0.167 4.474 4.640 0.001 0.000 0.192 222 D C 1.736 178.036 176.300 0.001 0.000 0.993 222 D CA 1.189 55.188 54.000 -0.001 0.000 0.828 222 D CB 0.052 40.854 40.800 0.003 0.000 0.968 222 D HN 0.109 nan 8.370 nan 0.000 0.448 223 L N -0.317 120.908 121.223 0.003 0.000 2.270 223 L HA 0.164 4.505 4.340 0.001 0.000 0.210 223 L C 2.479 179.349 176.870 0.000 0.000 1.104 223 L CA 0.609 55.454 54.840 0.009 0.000 0.804 223 L CB -0.309 41.758 42.059 0.015 0.000 0.937 223 L HN 0.056 nan 8.230 nan 0.000 0.450 224 A N -0.164 122.649 122.820 -0.012 0.000 1.877 224 A HA -0.227 4.094 4.320 0.001 0.000 0.216 224 A C 2.253 179.810 177.584 -0.044 0.000 1.186 224 A CA 1.437 53.455 52.037 -0.032 0.000 0.620 224 A CB -0.379 18.602 19.000 -0.031 0.000 0.822 224 A HN 0.432 nan 8.150 nan 0.000 0.443 225 Q N -1.090 118.691 119.800 -0.031 0.000 2.119 225 Q HA -0.222 4.118 4.340 0.001 0.000 0.201 225 Q C 2.305 178.288 176.000 -0.029 0.000 0.972 225 Q CA 1.502 57.284 55.803 -0.034 0.000 0.847 225 Q CB -0.185 28.539 28.738 -0.024 0.000 0.903 225 Q HN 0.843 nan 8.270 nan 0.000 0.433 226 Q N 0.556 120.349 119.800 -0.011 0.000 2.170 226 Q HA -0.185 4.156 4.340 0.001 0.000 0.203 226 Q C 2.080 178.088 176.000 0.013 0.000 0.976 226 Q CA 0.760 56.566 55.803 0.006 0.000 0.858 226 Q CB 0.049 28.801 28.738 0.023 0.000 0.907 226 Q HN 0.262 nan 8.270 nan 0.000 0.433 227 L N 0.737 121.959 121.223 -0.003 0.000 2.005 227 L HA -0.150 4.191 4.340 0.001 0.000 0.207 227 L C 2.172 178.980 176.870 -0.105 0.000 1.072 227 L CA 1.770 56.602 54.840 -0.013 0.000 0.744 227 L CB -0.337 41.692 42.059 -0.051 0.000 0.895 227 L HN 0.063 nan 8.230 nan 0.000 0.433 228 R N -0.358 120.065 120.500 -0.128 0.000 2.120 228 R HA -0.132 4.209 4.340 0.001 0.000 0.234 228 R C 1.771 177.999 176.300 -0.120 0.000 1.123 228 R CA 1.425 57.435 56.100 -0.150 0.000 0.975 228 R CB -0.467 29.759 30.300 -0.124 0.000 0.866 228 R HN 0.468 nan 8.270 nan 0.000 0.446 229 D N 0.335 120.684 120.400 -0.083 0.000 2.162 229 D HA -0.096 4.545 4.640 0.001 0.000 0.203 229 D C 1.583 177.833 176.300 -0.083 0.000 0.967 229 D CA 0.955 54.913 54.000 -0.069 0.000 0.840 229 D CB -0.071 40.705 40.800 -0.040 0.000 0.972 229 D HN 0.275 nan 8.370 nan 0.000 0.482 230 E N -0.128 120.027 120.200 -0.074 0.000 2.150 230 E HA -0.109 4.241 4.350 0.001 0.000 0.193 230 E C 1.753 178.178 176.600 -0.291 0.000 0.985 230 E CA 0.280 56.625 56.400 -0.091 0.000 0.814 230 E CB 0.114 29.863 29.700 0.083 0.000 0.752 230 E HN 0.081 nan 8.360 nan 0.000 0.466 231 L N 0.930 121.964 121.223 -0.315 0.000 2.141 231 L HA -0.152 4.189 4.340 0.001 0.000 0.209 231 L C 2.138 178.853 176.870 -0.259 0.000 1.094 231 L CA 1.554 56.172 54.840 -0.369 0.000 0.763 231 L CB -0.574 41.315 42.059 -0.283 0.000 0.908 231 L HN 0.024 nan 8.230 nan 0.000 0.437 232 E N -0.483 119.608 120.200 -0.182 0.000 2.077 232 E HA -0.176 4.175 4.350 0.001 0.000 0.193 232 E C 2.288 178.810 176.600 -0.129 0.000 0.989 232 E CA 1.073 57.394 56.400 -0.132 0.000 0.800 232 E CB -0.192 29.451 29.700 -0.095 0.000 0.746 232 E HN 0.380 nan 8.360 nan 0.000 0.452 233 L N -0.742 120.398 121.223 -0.138 0.000 2.056 233 L HA -0.155 4.186 4.340 0.001 0.000 0.207 233 L C 2.298 179.077 176.870 -0.151 0.000 1.078 233 L CA 0.665 55.437 54.840 -0.115 0.000 0.749 233 L CB -0.380 41.630 42.059 -0.083 0.000 0.901 233 L HN 0.078 nan 8.230 nan 0.000 0.433 234 V N -0.263 119.491 119.914 -0.267 0.000 2.358 234 V HA -0.257 3.864 4.120 0.001 0.000 0.246 234 V C 2.504 178.482 176.094 -0.193 0.000 1.047 234 V CA 1.609 63.719 62.300 -0.316 0.000 1.035 234 V CB -0.381 31.058 31.823 -0.640 0.000 0.658 234 V HN 0.306 nan 8.190 nan 0.000 0.452 235 K N 0.676 120.971 120.400 -0.176 0.000 2.211 235 K HA -0.041 4.280 4.320 0.001 0.000 0.203 235 K C 2.000 178.552 176.600 -0.080 0.000 1.050 235 K CA 1.200 57.417 56.287 -0.116 0.000 0.945 235 K CB -0.791 31.643 32.500 -0.111 0.000 0.732 235 K HN 0.474 nan 8.250 nan 0.000 0.451 236 G N -0.775 107.977 108.800 -0.080 0.000 2.396 236 G HA2 -0.105 3.856 3.960 0.001 0.000 0.214 236 G HA3 -0.105 3.856 3.960 0.001 0.000 0.214 236 G C 1.332 176.208 174.900 -0.040 0.000 1.166 236 G CA 0.725 45.793 45.100 -0.054 0.000 0.793 236 G HN 0.354 nan 8.290 nan 0.000 0.533 237 A N -0.954 121.840 122.820 -0.043 0.000 2.324 237 A HA 0.633 4.954 4.320 0.001 0.000 0.220 237 A C 1.463 179.041 177.584 -0.010 0.000 1.209 237 A CA 0.957 52.982 52.037 -0.021 0.000 0.918 237 A CB 0.200 19.193 19.000 -0.011 0.000 0.959 237 A HN 0.328 nan 8.150 nan 0.000 0.507 238 S N -0.177 115.510 115.700 -0.022 0.000 2.589 238 S HA 0.533 5.004 4.470 0.001 0.000 0.272 238 S C -0.617 173.985 174.600 0.004 0.000 1.096 238 S CA -0.699 57.502 58.200 0.001 0.000 0.985 238 S CB 0.483 63.681 63.200 -0.003 0.000 1.278 238 S HN 0.520 nan 8.310 nan 0.000 0.528 239 N N 0.967 119.680 118.700 0.022 0.000 2.284 239 N HA 0.305 5.046 4.740 0.001 0.000 0.289 239 N C -1.626 173.924 175.510 0.067 0.000 1.179 239 N CA -0.549 52.517 53.050 0.028 0.000 0.774 239 N CB 1.483 39.982 38.487 0.020 0.000 1.548 239 N HN 0.556 nan 8.380 nan 0.000 0.473 240 E N 0.271 120.515 120.200 0.074 0.000 2.392 240 E HA 0.115 4.466 4.350 0.001 0.000 0.259 240 E C -0.605 176.072 176.600 0.128 0.000 1.108 240 E CA -0.202 56.300 56.400 0.171 0.000 0.916 240 E CB 0.955 30.740 29.700 0.142 0.000 0.989 240 E HN 0.328 nan 8.360 nan 0.000 0.432 241 F N 2.233 122.181 119.950 -0.003 0.000 2.429 241 F HA 0.097 4.625 4.527 0.001 0.000 0.348 241 F C 0.003 175.662 175.800 -0.236 0.000 1.109 241 F CA 0.152 57.993 58.000 -0.265 0.000 1.232 241 F CB 0.701 39.324 39.000 -0.628 0.000 1.157 241 F HN 0.223 nan 8.300 nan 0.000 0.564 242 D N 5.814 125.508 120.400 -1.176 0.000 2.686 242 D HA 0.108 4.749 4.640 0.001 0.000 0.249 242 D C 0.253 175.896 176.300 -1.095 0.000 1.260 242 D CA -0.385 53.127 54.000 -0.813 0.000 0.910 242 D CB 1.905 42.469 40.800 -0.393 0.000 1.323 242 D HN 0.750 nan 8.370 nan 0.000 0.561 243 K N 2.745 122.695 120.400 -0.751 0.000 2.057 243 K HA -0.154 4.167 4.320 0.001 0.000 0.207 243 K C 1.598 178.108 176.600 -0.150 0.000 1.049 243 K CA 1.127 57.168 56.287 -0.409 0.000 0.931 243 K CB 0.249 32.730 32.500 -0.032 0.000 0.714 243 K HN 0.482 nan 8.250 nan 0.000 0.440 244 E N 0.558 120.672 120.200 -0.144 0.000 2.031 244 E HA -0.195 4.155 4.350 0.001 0.000 0.193 244 E C 2.082 178.624 176.600 -0.097 0.000 0.994 244 E CA 1.138 57.491 56.400 -0.079 0.000 0.800 244 E CB -0.029 29.629 29.700 -0.070 0.000 0.752 244 E HN 0.307 nan 8.360 nan 0.000 0.447 245 L N 0.307 121.442 121.223 -0.147 0.000 2.083 245 L HA -0.181 4.160 4.340 0.001 0.000 0.209 245 L C 2.538 179.345 176.870 -0.106 0.000 1.083 245 L CA 1.057 55.820 54.840 -0.128 0.000 0.752 245 L CB -0.523 41.448 42.059 -0.146 0.000 0.899 245 L HN 0.252 nan 8.230 nan 0.000 0.433 246 F N 0.967 120.744 119.950 -0.287 0.000 2.126 246 F HA -0.243 4.285 4.527 0.001 0.000 0.299 246 F C 2.112 177.872 175.800 -0.066 0.000 1.096 246 F CA 1.616 59.503 58.000 -0.189 0.000 1.255 246 F CB -0.260 38.593 39.000 -0.246 0.000 0.997 246 F HN -0.104 nan 8.300 nan 0.000 0.479 247 L N -0.168 120.899 121.223 -0.260 0.000 2.291 247 L HA -0.042 4.299 4.340 0.001 0.000 0.214 247 L C 2.565 179.302 176.870 -0.222 0.000 1.120 247 L CA 0.805 55.470 54.840 -0.292 0.000 0.799 247 L CB -0.974 41.046 42.059 -0.065 0.000 0.925 247 L HN 0.260 nan 8.230 nan 0.000 0.446 248 A N -0.301 122.420 122.820 -0.165 0.000 2.167 248 A HA 0.244 4.565 4.320 0.001 0.000 0.214 248 A C 1.780 179.287 177.584 -0.129 0.000 1.151 248 A CA 0.822 52.787 52.037 -0.120 0.000 0.735 248 A CB -0.366 18.584 19.000 -0.085 0.000 0.802 248 A HN 0.494 nan 8.150 nan 0.000 0.467 249 G N -0.878 107.813 108.800 -0.182 0.000 2.132 249 G HA2 -0.232 3.728 3.960 0.001 0.000 0.234 249 G HA3 -0.232 3.728 3.960 0.001 0.000 0.234 249 G C 0.394 175.249 174.900 -0.075 0.000 0.989 249 G CA 0.553 45.567 45.100 -0.144 0.000 0.676 249 G HN 0.579 nan 8.290 nan 0.000 0.522 250 E N -0.954 119.205 120.200 -0.068 0.000 2.389 250 E HA 0.313 4.664 4.350 0.001 0.000 0.199 250 E C 1.114 177.702 176.600 -0.019 0.000 0.978 250 E CA 0.872 57.248 56.400 -0.040 0.000 0.912 250 E CB 0.497 30.167 29.700 -0.050 0.000 0.907 250 E HN 0.858 nan 8.360 nan 0.000 0.494 251 I N -2.204 118.365 120.570 -0.002 0.000 3.145 251 I HA 0.459 4.629 4.170 0.001 0.000 0.313 251 I C -0.583 175.640 176.117 0.177 0.000 1.122 251 I CA -0.874 60.454 61.300 0.047 0.000 0.987 251 I CB 2.288 40.280 38.000 -0.014 0.000 1.236 251 I HN -0.238 nan 8.210 nan 0.000 0.453 252 T N 0.198 114.864 114.554 0.186 0.000 2.893 252 T HA 0.732 5.083 4.350 0.001 0.000 0.293 252 T C -2.973 171.835 174.700 0.180 0.000 1.027 252 T CA -1.938 60.327 62.100 0.275 0.000 0.988 252 T CB 1.862 70.860 68.868 0.216 0.000 1.043 252 T HN 0.656 nan 8.240 nan 0.000 0.461 253 P HA 0.405 nan 4.420 nan 0.000 0.275 253 P C -0.863 176.374 177.300 -0.106 0.000 1.228 253 P CA -0.485 62.564 63.100 -0.085 0.000 0.786 253 P CB 1.010 32.525 31.700 -0.308 0.000 0.927 254 V N 3.972 123.740 119.914 -0.244 0.000 2.448 254 V HA 0.426 4.547 4.120 0.001 0.000 0.295 254 V C -0.189 175.673 176.094 -0.387 0.000 1.025 254 V CA -0.314 61.867 62.300 -0.199 0.000 0.859 254 V CB 0.782 32.561 31.823 -0.074 0.000 0.988 254 V HN 0.372 nan 8.190 nan 0.000 0.431 255 F N 3.848 123.703 119.950 -0.158 0.000 2.508 255 F HA 0.732 5.259 4.527 0.001 0.000 0.325 255 F C -0.419 175.041 175.800 -0.566 0.000 1.090 255 F CA -0.628 57.297 58.000 -0.124 0.000 0.945 255 F CB 1.892 40.909 39.000 0.028 0.000 1.156 255 F HN 0.281 nan 8.300 nan 0.000 0.463 256 F N 0.900 120.774 119.950 -0.126 0.000 2.495 256 F HA 0.819 5.346 4.527 0.001 0.000 0.327 256 F C 0.484 176.129 175.800 -0.259 0.000 1.103 256 F CA -0.680 57.132 58.000 -0.314 0.000 0.949 256 F CB 1.916 40.819 39.000 -0.161 0.000 1.142 256 F HN 0.604 nan 8.300 nan 0.000 0.457 257 G N 0.392 109.014 108.800 -0.296 0.000 2.348 257 G HA2 0.453 4.414 3.960 0.001 0.000 0.296 257 G HA3 0.453 4.414 3.960 0.001 0.000 0.296 257 G C -1.727 173.165 174.900 -0.013 0.000 1.258 257 G CA -0.595 44.541 45.100 0.060 0.000 0.868 257 G HN 0.628 nan 8.290 nan 0.000 0.488 258 T N -1.232 113.449 114.554 0.212 0.000 2.937 258 T HA 0.617 4.968 4.350 0.001 0.000 0.297 258 T C 1.045 175.872 174.700 0.211 0.000 0.991 258 T CA 0.951 63.122 62.100 0.120 0.000 0.990 258 T CB 1.187 70.009 68.868 -0.076 0.000 0.991 258 T HN 1.640 nan 8.240 nan 0.000 0.440 259 A N 4.481 127.398 122.820 0.162 0.000 1.970 259 A HA 0.156 4.477 4.320 0.001 0.000 0.216 259 A C 1.952 179.549 177.584 0.022 0.000 1.170 259 A CA 0.834 52.903 52.037 0.054 0.000 0.645 259 A CB -0.592 18.398 19.000 -0.017 0.000 0.816 259 A HN 0.730 nan 8.150 nan 0.000 0.447 260 L N 0.010 121.250 121.223 0.029 0.000 2.046 260 L HA 0.004 4.344 4.340 0.001 0.000 0.208 260 L C 2.116 179.001 176.870 0.025 0.000 1.077 260 L CA 2.250 57.091 54.840 0.003 0.000 0.747 260 L CB -0.843 41.227 42.059 0.018 0.000 0.896 260 L HN 0.288 nan 8.230 nan 0.000 0.432 261 G N -1.477 107.401 108.800 0.130 0.000 3.141 261 G HA2 -0.088 3.873 3.960 0.001 0.000 0.218 261 G HA3 -0.088 3.873 3.960 0.001 0.000 0.218 261 G C 0.462 175.545 174.900 0.305 0.000 1.170 261 G CA 0.176 45.436 45.100 0.266 0.000 0.769 261 G HN 0.627 nan 8.290 nan 0.000 0.546 262 N N -0.871 117.944 118.700 0.191 0.000 2.650 262 N HA -0.231 4.510 4.740 0.001 0.000 0.272 262 N C -1.216 174.502 175.510 0.347 0.000 1.058 262 N CA 0.029 53.190 53.050 0.185 0.000 0.765 262 N CB -0.775 37.745 38.487 0.056 0.000 0.902 262 N HN 0.239 nan 8.380 nan 0.000 0.551 263 F N 0.480 120.544 119.950 0.190 0.000 2.569 263 F HA 0.549 5.077 4.527 0.002 0.000 0.312 263 F C 1.112 176.962 175.800 0.083 0.000 1.109 263 F CA 0.729 58.833 58.000 0.173 0.000 0.919 263 F CB 1.566 40.749 39.000 0.305 0.000 1.211 263 F HN 0.162 nan 8.300 nan 0.000 0.446 264 G N 2.853 111.137 108.800 -0.861 0.000 2.284 264 G HA2 -0.315 3.646 3.960 0.001 0.000 0.247 264 G HA3 -0.315 3.646 3.960 0.001 0.000 0.247 264 G C 0.854 175.556 174.900 -0.329 0.000 1.012 264 G CA 0.412 45.056 45.100 -0.760 0.000 0.618 264 G HN 0.796 nan 8.290 nan 0.000 0.521 265 V N 2.834 122.636 119.914 -0.186 0.000 2.392 265 V HA -0.178 3.943 4.120 0.001 0.000 0.249 265 V C 2.806 178.559 176.094 -0.568 0.000 1.059 265 V CA 2.885 64.992 62.300 -0.322 0.000 1.051 265 V CB -0.507 31.218 31.823 -0.164 0.000 0.658 265 V HN 0.788 nan 8.190 nan 0.000 0.455 266 D N -0.570 119.390 120.400 -0.734 0.000 2.219 266 D HA -0.222 4.418 4.640 0.001 0.000 0.205 266 D C 1.735 177.752 176.300 -0.472 0.000 0.970 266 D CA 1.680 55.152 54.000 -0.880 0.000 0.851 266 D CB -0.653 39.640 40.800 -0.844 0.000 0.943 266 D HN 0.669 nan 8.370 nan 0.000 0.488 267 H N 0.327 119.107 119.070 -0.483 0.000 2.321 267 H HA -0.089 4.468 4.556 0.001 0.000 0.300 267 H C 2.359 177.215 175.328 -0.787 0.000 1.087 267 H CA 1.663 57.469 56.048 -0.402 0.000 1.319 267 H CB -0.150 29.509 29.762 -0.171 0.000 1.379 267 H HN 0.229 nan 8.280 nan 0.000 0.501 268 M N 0.914 119.936 119.600 -0.963 0.000 2.213 268 M HA -0.082 4.398 4.480 0.001 0.000 0.263 268 M C 1.737 177.550 176.300 -0.810 0.000 1.062 268 M CA 1.596 56.074 55.300 -1.370 0.000 1.105 268 M CB -0.634 31.503 32.600 -0.772 0.000 1.385 268 M HN 0.165 nan 8.290 nan 0.000 0.417 269 L N 0.063 120.850 121.223 -0.726 0.000 2.093 269 L HA -0.157 4.184 4.340 0.001 0.000 0.208 269 L C 1.926 178.445 176.870 -0.585 0.000 1.085 269 L CA 1.113 55.480 54.840 -0.790 0.000 0.755 269 L CB -0.890 40.397 42.059 -1.287 0.000 0.904 269 L HN 0.325 nan 8.230 nan 0.000 0.435 270 D N 0.002 120.157 120.400 -0.409 0.000 2.117 270 D HA -0.142 4.499 4.640 0.001 0.000 0.197 270 D C 2.077 178.115 176.300 -0.437 0.000 0.987 270 D CA 1.485 55.341 54.000 -0.240 0.000 0.829 270 D CB -0.310 40.417 40.800 -0.121 0.000 0.961 270 D HN 0.333 nan 8.370 nan 0.000 0.460 271 G N 1.318 109.784 108.800 -0.557 0.000 2.402 271 G HA2 -0.183 3.778 3.960 0.001 0.000 0.216 271 G HA3 -0.183 3.778 3.960 0.001 0.000 0.216 271 G C 1.531 176.138 174.900 -0.488 0.000 1.162 271 G CA 0.176 44.787 45.100 -0.814 0.000 0.777 271 G HN 0.202 nan 8.290 nan 0.000 0.539 272 L N 1.033 122.043 121.223 -0.355 0.000 1.990 272 L HA -0.109 4.232 4.340 0.001 0.000 0.213 272 L C 2.909 179.653 176.870 -0.211 0.000 1.072 272 L CA 1.870 56.545 54.840 -0.275 0.000 0.755 272 L CB -0.969 40.807 42.059 -0.472 0.000 0.889 272 L HN 0.174 nan 8.230 nan 0.000 0.432 273 V N 0.121 119.887 119.914 -0.246 0.000 2.343 273 V HA -0.248 3.872 4.120 0.001 0.000 0.247 273 V C 2.648 178.647 176.094 -0.158 0.000 1.051 273 V CA 1.908 64.114 62.300 -0.156 0.000 1.036 273 V CB -0.405 31.360 31.823 -0.097 0.000 0.654 273 V HN 0.470 nan 8.190 nan 0.000 0.451 274 E N -1.080 118.924 120.200 -0.326 0.000 2.107 274 E HA -0.158 4.193 4.350 0.001 0.000 0.191 274 E C 1.857 178.361 176.600 -0.161 0.000 0.982 274 E CA 1.631 57.788 56.400 -0.404 0.000 0.809 274 E CB -0.055 29.100 29.700 -0.909 0.000 0.756 274 E HN 0.668 nan 8.360 nan 0.000 0.459 275 W N -0.216 121.078 121.300 -0.011 0.000 2.968 275 W HA 0.523 5.184 4.660 0.001 0.000 0.253 275 W C 0.530 177.206 176.519 0.263 0.000 1.150 275 W CA -0.041 57.346 57.345 0.071 0.000 1.463 275 W CB -0.962 28.396 29.460 -0.169 0.000 0.906 275 W HN -0.037 nan 8.180 nan 0.000 0.650 276 A N 3.001 126.066 122.820 0.407 0.000 2.483 276 A HA 0.311 4.631 4.320 0.001 0.000 0.238 276 A C -2.122 175.592 177.584 0.216 0.000 1.070 276 A CA -0.489 51.763 52.037 0.358 0.000 0.770 276 A CB -0.693 18.408 19.000 0.168 0.000 1.008 276 A HN -0.184 nan 8.150 nan 0.000 0.497 277 P HA 0.384 nan 4.420 nan 0.000 0.272 277 P C -0.130 177.206 177.300 0.060 0.000 1.223 277 P CA 0.012 63.171 63.100 0.099 0.000 0.784 277 P CB 0.726 32.463 31.700 0.061 0.000 0.923 278 A N 3.347 126.193 122.820 0.043 0.000 2.272 278 A HA 0.466 4.787 4.320 0.001 0.000 0.275 278 A C -2.149 175.446 177.584 0.018 0.000 1.096 278 A CA -1.624 50.424 52.037 0.019 0.000 0.822 278 A CB -1.412 17.593 19.000 0.010 0.000 1.088 278 A HN 0.418 nan 8.150 nan 0.000 0.495 279 P HA -0.035 nan 4.420 nan 0.000 0.255 279 P C -0.285 177.028 177.300 0.022 0.000 1.161 279 P CA 0.958 64.066 63.100 0.013 0.000 0.768 279 P CB 0.009 31.716 31.700 0.013 0.000 0.746 280 M N 5.614 125.226 119.600 0.019 0.000 2.283 280 M HA 0.358 4.839 4.480 0.001 0.000 0.314 280 M C -1.965 174.351 176.300 0.027 0.000 1.153 280 M CA -2.358 52.955 55.300 0.021 0.000 1.084 280 M CB -0.210 32.396 32.600 0.009 0.000 1.468 280 M HN 0.072 nan 8.290 nan 0.000 0.474 281 P HA 0.319 nan 4.420 nan 0.000 0.274 281 P C -0.760 176.566 177.300 0.043 0.000 1.246 281 P CA -0.314 62.817 63.100 0.052 0.000 0.795 281 P CB 0.642 32.373 31.700 0.051 0.000 1.006 282 R N 1.206 121.758 120.500 0.086 0.000 2.575 282 R HA 0.362 4.703 4.340 0.001 0.000 0.293 282 R C -0.354 176.069 176.300 0.205 0.000 0.983 282 R CA -1.036 55.109 56.100 0.076 0.000 0.887 282 R CB 1.576 31.810 30.300 -0.109 0.000 1.184 282 R HN 0.453 nan 8.270 nan 0.000 0.445 283 Q N 0.572 120.438 119.800 0.110 0.000 2.421 283 Q HA 0.259 4.600 4.340 0.001 0.000 0.255 283 Q C -0.604 175.460 176.000 0.106 0.000 1.013 283 Q CA 0.897 56.748 55.803 0.080 0.000 0.895 283 Q CB 0.842 29.588 28.738 0.013 0.000 1.271 283 Q HN 0.531 nan 8.270 nan 0.000 0.460 284 T N 1.375 115.917 114.554 -0.019 0.000 2.896 284 T HA 0.142 4.493 4.350 0.001 0.000 0.297 284 T C -0.209 174.426 174.700 -0.108 0.000 1.108 284 T CA -0.264 61.749 62.100 -0.146 0.000 1.004 284 T CB 0.897 69.561 68.868 -0.340 0.000 1.159 284 T HN 0.792 nan 8.240 nan 0.000 0.499 285 D N 0.432 120.761 120.400 -0.119 0.000 2.311 285 D HA -0.083 4.557 4.640 0.001 0.000 0.212 285 D C 1.246 177.499 176.300 -0.079 0.000 0.972 285 D CA 1.394 55.342 54.000 -0.087 0.000 0.887 285 D CB -0.061 40.689 40.800 -0.083 0.000 0.915 285 D HN 0.407 nan 8.370 nan 0.000 0.497 286 T N -0.669 113.829 114.554 -0.094 0.000 3.044 286 T HA 0.110 4.461 4.350 0.001 0.000 0.237 286 T C 1.081 175.746 174.700 -0.059 0.000 1.001 286 T CA 0.463 62.518 62.100 -0.075 0.000 1.160 286 T CB 0.829 69.645 68.868 -0.086 0.000 0.889 286 T HN 0.355 nan 8.240 nan 0.000 0.442 287 R N 0.171 120.632 120.500 -0.065 0.000 2.844 287 R HA 0.465 4.806 4.340 0.001 0.000 0.264 287 R C -1.596 174.690 176.300 -0.024 0.000 1.077 287 R CA -0.693 55.384 56.100 -0.038 0.000 0.953 287 R CB 0.420 30.703 30.300 -0.029 0.000 1.272 287 R HN -0.091 nan 8.270 nan 0.000 0.447 288 T N 1.310 115.865 114.554 0.001 0.000 2.780 288 T HA 0.306 4.657 4.350 0.001 0.000 0.294 288 T C -0.195 174.536 174.700 0.051 0.000 0.949 288 T CA -0.452 61.666 62.100 0.031 0.000 1.074 288 T CB 1.111 69.996 68.868 0.029 0.000 0.910 288 T HN 0.278 nan 8.240 nan 0.000 0.501 289 V N 4.971 124.948 119.914 0.105 0.000 2.348 289 V HA 0.200 4.321 4.120 0.001 0.000 0.270 289 V C 0.599 176.770 176.094 0.127 0.000 1.037 289 V CA -0.790 61.590 62.300 0.133 0.000 0.872 289 V CB 0.673 32.645 31.823 0.249 0.000 1.002 289 V HN 0.783 nan 8.190 nan 0.000 0.464 290 E N 3.032 123.290 120.200 0.097 0.000 2.390 290 E HA 0.287 4.638 4.350 0.001 0.000 0.261 290 E C 1.081 177.749 176.600 0.113 0.000 1.076 290 E CA 0.172 56.627 56.400 0.092 0.000 0.905 290 E CB 1.568 31.317 29.700 0.081 0.000 0.984 290 E HN 0.654 nan 8.360 nan 0.000 0.427 291 A N 1.960 124.844 122.820 0.106 0.000 2.066 291 A HA -0.136 4.185 4.320 0.001 0.000 0.218 291 A C 1.979 179.683 177.584 0.200 0.000 1.157 291 A CA 1.359 53.473 52.037 0.127 0.000 0.670 291 A CB -0.375 18.674 19.000 0.081 0.000 0.804 291 A HN 0.557 nan 8.150 nan 0.000 0.453 292 S N 0.217 116.023 115.700 0.175 0.000 2.500 292 S HA -0.072 4.399 4.470 0.001 0.000 0.239 292 S C 0.458 175.225 174.600 0.278 0.000 0.989 292 S CA 0.363 58.705 58.200 0.236 0.000 0.951 292 S CB -0.405 62.883 63.200 0.146 0.000 0.759 292 S HN 0.657 nan 8.310 nan 0.000 0.523 293 E N 2.376 122.694 120.200 0.196 0.000 2.373 293 E HA 0.214 4.565 4.350 0.001 0.000 0.267 293 E C 0.272 176.901 176.600 0.047 0.000 1.032 293 E CA -0.024 56.441 56.400 0.108 0.000 0.889 293 E CB 0.521 30.271 29.700 0.082 0.000 0.984 293 E HN 0.590 nan 8.360 nan 0.000 0.425 294 D N 2.728 123.037 120.400 -0.151 0.000 1.976 294 D HA -0.037 4.604 4.640 0.001 0.000 0.285 294 D C -0.535 175.725 176.300 -0.066 0.000 1.092 294 D CA -0.327 53.488 54.000 -0.308 0.000 0.993 294 D CB 0.154 40.755 40.800 -0.332 0.000 1.167 294 D HN 0.043 nan 8.370 nan 0.000 0.454 295 K N -0.499 119.887 120.400 -0.024 0.000 5.778 295 K HA -0.208 4.113 4.320 0.001 0.000 0.585 295 K C -0.610 176.073 176.600 0.138 0.000 1.547 295 K CA 0.147 56.473 56.287 0.065 0.000 1.421 295 K CB -1.282 31.246 32.500 0.047 0.000 1.834 295 K HN 0.480 nan 8.250 nan 0.000 0.313 296 F N 1.786 121.780 119.950 0.074 0.000 2.589 296 F HA 0.048 4.576 4.527 0.001 0.000 0.352 296 F C 0.724 176.630 175.800 0.177 0.000 1.168 296 F CA 1.035 59.113 58.000 0.130 0.000 1.353 296 F CB 0.703 39.790 39.000 0.145 0.000 1.116 296 F HN 0.376 nan 8.300 nan 0.000 0.608 297 T N 3.204 117.273 114.554 -0.808 0.000 3.393 297 T HA 0.604 4.954 4.350 0.001 0.000 0.359 297 T C -0.702 173.719 174.700 -0.464 0.000 1.380 297 T CA -0.299 61.639 62.100 -0.269 0.000 1.132 297 T CB 1.157 70.066 68.868 0.069 0.000 1.284 297 T HN 1.086 nan 8.240 nan 0.000 0.477 298 G N 1.930 110.766 108.800 0.059 0.000 2.547 298 G HA2 0.691 4.652 3.960 0.001 0.000 0.291 298 G HA3 0.691 4.652 3.960 0.001 0.000 0.291 298 G C -2.010 173.148 174.900 0.430 0.000 1.471 298 G CA -0.787 44.358 45.100 0.075 0.000 0.798 298 G HN 0.799 nan 8.290 nan 0.000 0.504 299 F N -0.673 119.349 119.950 0.120 0.000 2.588 299 F HA 0.825 5.352 4.527 0.001 0.000 0.314 299 F C -0.653 175.289 175.800 0.236 0.000 1.069 299 F CA -1.518 56.634 58.000 0.254 0.000 0.931 299 F CB 1.740 40.850 39.000 0.182 0.000 1.260 299 F HN 0.392 nan 8.300 nan 0.000 0.465 300 V N 3.257 123.353 119.914 0.304 0.000 2.546 300 V HA 0.166 4.287 4.120 0.001 0.000 0.284 300 V C 0.141 176.359 176.094 0.206 0.000 1.050 300 V CA -0.119 62.240 62.300 0.098 0.000 0.981 300 V CB 0.922 32.820 31.823 0.125 0.000 0.990 300 V HN 0.890 nan 8.190 nan 0.000 0.474 301 F N 1.842 121.804 119.950 0.020 0.000 2.784 301 F HA 0.575 5.102 4.527 0.001 0.000 0.323 301 F C 0.264 176.079 175.800 0.025 0.000 1.085 301 F CA -0.562 57.479 58.000 0.069 0.000 1.196 301 F CB 0.283 39.301 39.000 0.029 0.000 1.053 301 F HN 0.398 nan 8.300 nan 0.000 0.578 302 K N 1.050 121.231 120.400 -0.365 0.000 2.578 302 K HA 0.575 4.896 4.320 0.001 0.000 0.269 302 K C -2.204 174.312 176.600 -0.139 0.000 0.941 302 K CA -0.602 55.536 56.287 -0.249 0.000 0.847 302 K CB 2.336 34.621 32.500 -0.357 0.000 1.397 302 K HN 0.219 nan 8.250 nan 0.000 0.422 303 I N 3.154 123.692 120.570 -0.053 0.000 2.466 303 I HA 0.190 4.361 4.170 0.001 0.000 0.289 303 I C -0.374 175.766 176.117 0.038 0.000 1.026 303 I CA -0.827 60.480 61.300 0.012 0.000 1.078 303 I CB 2.098 40.091 38.000 -0.011 0.000 1.249 303 I HN 0.627 nan 8.210 nan 0.000 0.429 304 Q N 4.787 124.660 119.800 0.122 0.000 2.297 304 Q HA 0.413 4.754 4.340 0.001 0.000 0.267 304 Q C -0.039 175.990 176.000 0.048 0.000 1.006 304 Q CA -0.289 55.587 55.803 0.122 0.000 0.896 304 Q CB 1.298 30.181 28.738 0.242 0.000 1.186 304 Q HN 0.795 nan 8.270 nan 0.000 0.392 315 V N 1.787 121.595 119.914 -0.177 0.000 4.870 315 V HA -0.281 3.840 4.120 0.001 0.000 0.435 315 V C 0.677 176.575 176.094 -0.327 0.000 0.743 315 V CA 1.256 63.350 62.300 -0.343 0.000 1.662 315 V CB -1.034 30.529 31.823 -0.433 0.000 1.945 315 V HN 0.436 nan 8.190 nan 0.000 0.485 316 A N 7.165 129.780 122.820 -0.341 0.000 2.269 316 A HA 0.760 5.081 4.320 0.001 0.000 0.302 316 A C -0.476 176.861 177.584 -0.412 0.000 1.266 316 A CA -0.405 51.476 52.037 -0.259 0.000 0.894 316 A CB 0.150 19.051 19.000 -0.165 0.000 1.147 316 A HN 0.617 nan 8.150 nan 0.000 0.537 317 F N 2.155 121.844 119.950 -0.435 0.000 2.438 317 F HA 0.443 4.972 4.527 0.002 0.000 0.356 317 F C 0.532 175.922 175.800 -0.683 0.000 1.099 317 F CA 0.135 57.802 58.000 -0.554 0.000 1.185 317 F CB 1.191 39.722 39.000 -0.782 0.000 1.115 317 F HN 0.577 nan 8.300 nan 0.000 0.526 318 M N 4.843 124.317 119.600 -0.211 0.000 2.253 318 M HA 0.515 4.996 4.480 0.001 0.000 0.314 318 M C -0.574 175.728 176.300 0.003 0.000 1.019 318 M CA -1.046 54.169 55.300 -0.143 0.000 0.932 318 M CB 1.330 33.828 32.600 -0.172 0.000 1.606 318 M HN 0.558 nan 8.290 nan 0.000 0.430 319 R N 3.716 124.140 120.500 -0.126 0.000 2.438 319 R HA 0.438 4.779 4.340 0.001 0.000 0.287 319 R C -1.822 174.342 176.300 -0.228 0.000 1.077 319 R CA -0.175 55.782 56.100 -0.239 0.000 1.034 319 R CB 0.702 30.655 30.300 -0.577 0.000 0.993 319 R HN 0.600 nan 8.270 nan 0.000 0.459 320 V N 6.741 126.595 119.914 -0.100 0.000 2.368 320 V HA 0.089 4.210 4.120 0.001 0.000 0.266 320 V C 0.997 177.022 176.094 -0.115 0.000 1.045 320 V CA -0.377 61.846 62.300 -0.128 0.000 0.899 320 V CB 1.103 32.935 31.823 0.015 0.000 1.006 320 V HN 0.788 nan 8.190 nan 0.000 0.470 321 V N 3.518 123.342 119.914 -0.150 0.000 2.407 321 V HA 0.018 4.139 4.120 0.001 0.000 0.245 321 V C 1.036 177.133 176.094 0.006 0.000 1.041 321 V CA 1.585 63.845 62.300 -0.067 0.000 1.040 321 V CB 0.182 31.937 31.823 -0.113 0.000 0.671 321 V HN 0.943 nan 8.190 nan 0.000 0.455 322 S N -1.810 113.875 115.700 -0.024 0.000 2.607 322 S HA 0.710 5.180 4.470 0.001 0.000 0.273 322 S C -0.184 174.442 174.600 0.042 0.000 1.148 322 S CA -0.083 58.160 58.200 0.071 0.000 0.833 322 S CB 1.737 65.005 63.200 0.113 0.000 1.130 322 S HN 1.631 nan 8.310 nan 0.000 0.470 323 G N 0.779 109.721 108.800 0.237 0.000 2.846 323 G HA2 -0.058 3.903 3.960 0.001 0.000 0.660 323 G HA3 -0.058 3.903 3.960 0.001 0.000 0.660 323 G C -0.819 174.277 174.900 0.327 0.000 1.464 323 G CA -0.181 45.050 45.100 0.218 0.000 0.891 323 G HN 0.931 nan 8.290 nan 0.000 0.552 324 K N -0.191 120.344 120.400 0.225 0.000 2.159 324 K HA 0.590 4.911 4.320 0.001 0.000 0.266 324 K C -0.766 175.937 176.600 0.170 0.000 0.975 324 K CA -0.935 55.389 56.287 0.061 0.000 0.865 324 K CB 1.102 33.470 32.500 -0.221 0.000 1.087 324 K HN 0.704 nan 8.250 nan 0.000 0.446 325 Y N 3.319 123.637 120.300 0.031 0.000 2.330 325 Y HA 0.273 4.824 4.550 0.001 0.000 0.336 325 Y C -0.896 174.923 175.900 -0.135 0.000 1.036 325 Y CA -0.240 57.788 58.100 -0.121 0.000 1.125 325 Y CB 1.098 39.420 38.460 -0.229 0.000 1.194 325 Y HN 0.609 nan 8.280 nan 0.000 0.469 326 E N 4.675 124.315 120.200 -0.933 0.000 2.320 326 E HA 0.204 4.555 4.350 0.001 0.000 0.264 326 E C -0.011 175.984 176.600 -1.009 0.000 0.923 326 E CA -1.057 54.894 56.400 -0.748 0.000 0.796 326 E CB 2.518 32.003 29.700 -0.358 0.000 1.262 326 E HN 0.694 nan 8.360 nan 0.000 0.428 327 K N 1.268 121.343 120.400 -0.541 0.000 2.020 327 K HA -0.145 4.176 4.320 0.001 0.000 0.212 327 K C 1.349 177.791 176.600 -0.263 0.000 1.050 327 K CA 1.913 57.995 56.287 -0.342 0.000 0.929 327 K CB -0.454 31.959 32.500 -0.146 0.000 0.714 327 K HN 0.637 nan 8.250 nan 0.000 0.443 328 G N 1.060 109.731 108.800 -0.214 0.000 3.379 328 G HA2 0.076 4.037 3.960 0.001 0.000 0.253 328 G HA3 0.076 4.037 3.960 0.001 0.000 0.253 328 G C 0.104 174.926 174.900 -0.129 0.000 1.262 328 G CA -0.445 44.577 45.100 -0.129 0.000 0.959 328 G HN 0.249 nan 8.290 nan 0.000 0.524 329 M N 0.299 119.780 119.600 -0.198 0.000 2.226 329 M HA 0.349 4.830 4.480 0.001 0.000 0.324 329 M C 0.015 176.287 176.300 -0.047 0.000 1.112 329 M CA 0.111 55.318 55.300 -0.155 0.000 1.176 329 M CB 0.765 33.209 32.600 -0.260 0.000 1.430 329 M HN -0.053 nan 8.290 nan 0.000 0.462 330 K N 4.950 125.338 120.400 -0.018 0.000 2.464 330 K HA 0.472 4.793 4.320 0.001 0.000 0.252 330 K C -1.755 174.884 176.600 0.064 0.000 1.000 330 K CA -0.358 55.943 56.287 0.025 0.000 0.951 330 K CB 0.566 33.076 32.500 0.017 0.000 1.183 330 K HN 0.681 nan 8.250 nan 0.000 0.445 331 L N 2.403 123.690 121.223 0.107 0.000 2.344 331 L HA 0.560 4.901 4.340 0.001 0.000 0.272 331 L C -0.007 176.984 176.870 0.202 0.000 1.035 331 L CA -1.239 53.720 54.840 0.198 0.000 0.807 331 L CB 1.311 43.541 42.059 0.285 0.000 1.237 331 L HN 0.374 nan 8.230 nan 0.000 0.442 332 R N 1.808 122.418 120.500 0.183 0.000 2.215 332 R HA 0.147 4.487 4.340 0.001 0.000 0.337 332 R C -0.435 175.812 176.300 -0.089 0.000 1.010 332 R CA -0.269 55.868 56.100 0.061 0.000 0.871 332 R CB 0.616 30.942 30.300 0.044 0.000 1.134 332 R HN 0.556 nan 8.270 nan 0.000 0.477 333 Q N 4.535 124.200 119.800 -0.226 0.000 2.489 333 Q HA 0.054 4.394 4.340 0.001 0.000 0.231 333 Q C 0.262 176.064 176.000 -0.330 0.000 1.273 333 Q CA -0.166 55.276 55.803 -0.602 0.000 0.898 333 Q CB 0.519 28.995 28.738 -0.437 0.000 1.545 333 Q HN 0.694 nan 8.270 nan 0.000 0.538 334 V N 3.711 123.454 119.914 -0.285 0.000 2.546 334 V HA -0.326 3.795 4.120 0.001 0.000 0.254 334 V C 2.278 178.303 176.094 -0.116 0.000 1.076 334 V CA 2.317 64.530 62.300 -0.146 0.000 1.087 334 V CB -0.684 31.074 31.823 -0.108 0.000 0.674 334 V HN 0.718 nan 8.190 nan 0.000 0.470 335 R N 0.822 121.242 120.500 -0.133 0.000 2.070 335 R HA -0.180 4.160 4.340 0.001 0.000 0.232 335 R C 2.484 178.748 176.300 -0.061 0.000 1.138 335 R CA 2.252 58.306 56.100 -0.077 0.000 0.936 335 R CB -0.543 29.722 30.300 -0.058 0.000 0.839 335 R HN 0.666 nan 8.270 nan 0.000 0.429 336 T N -2.623 111.890 114.554 -0.068 0.000 3.085 336 T HA 0.196 4.547 4.350 0.001 0.000 0.263 336 T C 1.169 175.845 174.700 -0.040 0.000 1.127 336 T CA 0.654 62.729 62.100 -0.041 0.000 1.103 336 T CB 0.171 69.023 68.868 -0.027 0.000 0.921 336 T HN 0.468 nan 8.240 nan 0.000 0.510 337 A N 0.416 123.201 122.820 -0.057 0.000 2.861 337 A HA -0.174 4.147 4.320 0.001 0.000 0.261 337 A C 0.450 178.017 177.584 -0.029 0.000 1.351 337 A CA 1.116 53.127 52.037 -0.044 0.000 0.904 337 A CB -2.137 16.844 19.000 -0.032 0.000 1.076 337 A HN 0.583 nan 8.150 nan 0.000 0.729 338 K N 1.092 121.476 120.400 -0.027 0.000 2.143 338 K HA 0.437 4.758 4.320 0.001 0.000 0.272 338 K C -0.607 175.996 176.600 0.005 0.000 1.001 338 K CA -0.712 55.571 56.287 -0.006 0.000 0.915 338 K CB 0.774 33.276 32.500 0.004 0.000 1.047 338 K HN 0.363 nan 8.250 nan 0.000 0.458 339 D N 1.297 121.709 120.400 0.020 0.000 2.304 339 D HA 0.277 4.917 4.640 0.001 0.000 0.247 339 D C -0.337 175.997 176.300 0.057 0.000 1.089 339 D CA -0.251 53.773 54.000 0.041 0.000 0.910 339 D CB 1.478 42.298 40.800 0.035 0.000 1.199 339 D HN 0.010 nan 8.370 nan 0.000 0.426 340 V N 1.518 121.485 119.914 0.088 0.000 2.709 340 V HA 0.294 4.415 4.120 0.001 0.000 0.308 340 V C -0.031 176.113 176.094 0.082 0.000 1.062 340 V CA -0.939 61.421 62.300 0.099 0.000 0.901 340 V CB 2.288 34.208 31.823 0.161 0.000 1.003 340 V HN 0.229 nan 8.190 nan 0.000 0.425 341 V N 5.503 125.451 119.914 0.057 0.000 2.394 341 V HA 0.505 4.626 4.120 0.001 0.000 0.282 341 V C -0.275 175.844 176.094 0.042 0.000 1.031 341 V CA -0.243 62.080 62.300 0.038 0.000 0.881 341 V CB 1.482 33.317 31.823 0.020 0.000 0.982 341 V HN 0.696 nan 8.190 nan 0.000 0.451 342 I N 4.009 124.605 120.570 0.044 0.000 2.405 342 I HA 0.288 4.458 4.170 0.001 0.000 0.280 342 I C 0.847 177.001 176.117 0.062 0.000 1.027 342 I CA 0.224 61.557 61.300 0.055 0.000 1.161 342 I CB 1.717 39.747 38.000 0.051 0.000 1.300 342 I HN 0.566 nan 8.210 nan 0.000 0.463 343 S N 2.851 118.574 115.700 0.039 0.000 2.535 343 S HA 0.076 4.547 4.470 0.001 0.000 0.214 343 S C 0.162 174.782 174.600 0.035 0.000 0.980 343 S CA -0.048 58.164 58.200 0.019 0.000 0.907 343 S CB -0.101 63.099 63.200 0.000 0.000 0.790 343 S HN 0.717 nan 8.310 nan 0.000 0.510 344 D N 1.287 121.725 120.400 0.062 0.000 2.330 344 D HA 0.499 5.140 4.640 0.001 0.000 0.249 344 D C -1.030 175.339 176.300 0.115 0.000 1.306 344 D CA -0.392 53.657 54.000 0.081 0.000 0.956 344 D CB 1.044 41.879 40.800 0.058 0.000 1.261 344 D HN 0.076 nan 8.370 nan 0.000 0.544 345 A N 2.796 125.634 122.820 0.029 0.000 2.343 345 A HA 0.504 4.825 4.320 0.001 0.000 0.316 345 A C -0.036 177.404 177.584 -0.241 0.000 1.104 345 A CA -0.839 51.108 52.037 -0.150 0.000 0.768 345 A CB 1.249 20.100 19.000 -0.249 0.000 1.213 345 A HN 0.617 nan 8.150 nan 0.000 0.456 346 L N 2.595 123.559 121.223 -0.431 0.000 2.530 346 L HA 0.150 4.491 4.340 0.001 0.000 0.273 346 L C 0.405 176.828 176.870 -0.745 0.000 1.141 346 L CA 0.412 54.909 54.840 -0.571 0.000 0.905 346 L CB 0.366 42.023 42.059 -0.669 0.000 1.202 346 L HN 0.758 nan 8.230 nan 0.000 0.473 347 T N 3.560 117.730 114.554 -0.639 0.000 2.925 347 T HA 0.496 4.847 4.350 0.001 0.000 0.285 347 T C -0.246 174.048 174.700 -0.677 0.000 1.021 347 T CA -0.176 61.624 62.100 -0.500 0.000 1.042 347 T CB 0.771 69.552 68.868 -0.146 0.000 1.037 347 T HN 0.219 nan 8.240 nan 0.000 0.481 348 F N 2.492 122.466 119.950 0.040 0.000 2.627 348 F HA 0.379 4.907 4.527 0.002 0.000 0.329 348 F C 0.602 176.441 175.800 0.064 0.000 1.378 348 F CA -1.060 56.972 58.000 0.054 0.000 1.134 348 F CB 0.103 39.142 39.000 0.065 0.000 1.229 348 F HN 0.213 nan 8.300 nan 0.000 0.537 349 M N 1.175 120.864 119.600 0.148 0.000 2.224 349 M HA 0.084 4.565 4.480 0.001 0.000 0.297 349 M C 0.940 177.323 176.300 0.137 0.000 1.047 349 M CA 0.299 55.675 55.300 0.127 0.000 1.125 349 M CB 0.070 32.722 32.600 0.086 0.000 1.413 349 M HN 0.447 nan 8.290 nan 0.000 0.431 357 E N 0.999 121.225 120.200 0.044 0.000 2.246 357 E HA -0.211 4.140 4.350 0.001 0.000 0.211 357 E C 0.018 176.668 176.600 0.083 0.000 1.278 357 E CA 1.261 57.691 56.400 0.050 0.000 0.694 357 E CB -0.595 29.119 29.700 0.023 0.000 1.166 357 E HN 0.890 nan 8.360 nan 0.000 0.370 358 E N -0.897 119.384 120.200 0.135 0.000 2.450 358 E HA 0.871 5.221 4.350 0.001 0.000 0.272 358 E C -0.878 175.885 176.600 0.271 0.000 0.967 358 E CA -0.992 55.515 56.400 0.179 0.000 0.818 358 E CB 2.156 31.922 29.700 0.110 0.000 1.401 358 E HN 0.217 nan 8.360 nan 0.000 0.450 359 A N 0.610 123.599 122.820 0.282 0.000 2.512 359 A HA 0.520 4.841 4.320 0.001 0.000 0.294 359 A C -2.026 175.707 177.584 0.249 0.000 1.054 359 A CA -0.678 51.540 52.037 0.301 0.000 0.756 359 A CB 0.541 19.690 19.000 0.248 0.000 1.293 359 A HN 0.495 nan 8.150 nan 0.000 0.395 360 Y N 1.823 122.237 120.300 0.191 0.000 2.545 360 Y HA 0.614 5.164 4.550 0.001 0.000 0.324 360 Y C -1.903 174.066 175.900 0.115 0.000 1.220 360 Y CA -2.480 55.718 58.100 0.164 0.000 1.290 360 Y CB 0.851 39.343 38.460 0.054 0.000 1.355 360 Y HN 0.459 nan 8.280 nan 0.000 0.516 361 P HA 0.117 nan 4.420 nan 0.000 0.267 361 P C 0.487 177.835 177.300 0.081 0.000 1.209 361 P CA 1.403 64.571 63.100 0.113 0.000 0.763 361 P CB 0.793 32.551 31.700 0.097 0.000 0.816 362 G N 3.040 111.869 108.800 0.049 0.000 2.436 362 G HA2 -0.150 3.811 3.960 0.001 0.000 0.204 362 G HA3 -0.150 3.811 3.960 0.001 0.000 0.204 362 G C -0.153 174.770 174.900 0.039 0.000 1.026 362 G CA -0.346 44.771 45.100 0.028 0.000 0.658 362 G HN 0.505 nan 8.290 nan 0.000 0.499 363 D N 1.356 121.811 120.400 0.092 0.000 2.360 363 D HA 0.533 5.173 4.640 0.001 0.000 0.242 363 D C 0.645 177.023 176.300 0.129 0.000 1.184 363 D CA 0.123 54.198 54.000 0.125 0.000 0.930 363 D CB 0.985 41.898 40.800 0.188 0.000 1.161 363 D HN 0.190 nan 8.370 nan 0.000 0.447 364 I N 1.030 121.714 120.570 0.190 0.000 2.493 364 I HA 0.324 4.495 4.170 0.001 0.000 0.298 364 I C -0.006 176.296 176.117 0.308 0.000 0.998 364 I CA -0.671 60.773 61.300 0.240 0.000 1.137 364 I CB 1.324 39.470 38.000 0.244 0.000 1.310 364 I HN 0.148 nan 8.210 nan 0.000 0.445 365 L N 3.343 124.659 121.223 0.155 0.000 2.319 365 L HA 0.799 5.140 4.340 0.001 0.000 0.267 365 L C 0.222 176.987 176.870 -0.175 0.000 1.011 365 L CA -0.130 54.676 54.840 -0.057 0.000 0.818 365 L CB 2.125 44.043 42.059 -0.236 0.000 1.316 365 L HN 0.678 nan 8.230 nan 0.000 0.432 366 G N 3.236 111.798 108.800 -0.397 0.000 3.764 366 G HA2 0.413 4.374 3.960 0.001 0.000 0.333 366 G HA3 0.413 4.374 3.960 0.001 0.000 0.333 366 G C -0.897 173.630 174.900 -0.623 0.000 1.551 366 G CA -0.405 44.312 45.100 -0.639 0.000 0.995 366 G HN 0.435 nan 8.290 nan 0.000 0.485 367 L N 3.263 124.169 121.223 -0.527 0.000 2.477 367 L HA 0.149 4.490 4.340 0.001 0.000 0.272 367 L C 0.450 177.092 176.870 -0.379 0.000 1.157 367 L CA -0.619 53.963 54.840 -0.429 0.000 0.889 367 L CB 0.252 42.057 42.059 -0.422 0.000 1.158 367 L HN 0.399 nan 8.230 nan 0.000 0.473 368 H N 4.382 123.310 119.070 -0.236 0.000 2.964 368 H HA 0.065 4.622 4.556 0.001 0.000 0.328 368 H C -0.126 175.052 175.328 -0.249 0.000 1.030 368 H CA 0.432 56.340 56.048 -0.234 0.000 1.445 368 H CB 0.732 30.408 29.762 -0.143 0.000 1.449 368 H HN 0.574 nan 8.280 nan 0.000 0.581 369 N N 2.954 121.493 118.700 -0.269 0.000 2.295 369 N HA 0.055 4.796 4.740 0.001 0.000 0.293 369 N C -1.002 174.219 175.510 -0.482 0.000 1.040 369 N CA -0.435 52.464 53.050 -0.251 0.000 0.840 369 N CB 1.310 39.709 38.487 -0.147 0.000 1.468 369 N HN 0.603 nan 8.380 nan 0.000 0.478 370 H N 2.380 121.470 119.070 0.033 0.000 2.676 370 H HA 0.275 4.832 4.556 0.001 0.000 0.238 370 H C 0.720 176.061 175.328 0.021 0.000 1.276 370 H CA 0.423 56.484 56.048 0.021 0.000 0.983 370 H CB 0.737 30.505 29.762 0.010 0.000 2.000 370 H HN 0.924 nan 8.280 nan 0.000 0.584 371 G N 0.938 109.786 108.800 0.081 0.000 2.211 371 G HA2 -0.321 3.640 3.960 0.001 0.000 0.201 371 G HA3 -0.321 3.640 3.960 0.001 0.000 0.201 371 G C 1.164 176.107 174.900 0.071 0.000 0.997 371 G CA 0.480 45.622 45.100 0.071 0.000 0.652 371 G HN 0.436 nan 8.290 nan 0.000 0.500 372 T N -0.739 113.861 114.554 0.078 0.000 3.040 372 T HA 0.577 4.928 4.350 0.001 0.000 0.250 372 T C 0.870 175.629 174.700 0.098 0.000 1.058 372 T CA 0.175 62.324 62.100 0.082 0.000 0.988 372 T CB 0.661 69.581 68.868 0.088 0.000 0.993 372 T HN 0.346 nan 8.240 nan 0.000 0.519 373 I N 1.606 122.235 120.570 0.099 0.000 2.525 373 I HA 0.539 4.710 4.170 0.001 0.000 0.301 373 I C -0.210 175.970 176.117 0.106 0.000 0.992 373 I CA -0.744 60.635 61.300 0.131 0.000 1.162 373 I CB 1.424 39.495 38.000 0.119 0.000 1.332 373 I HN 0.179 nan 8.210 nan 0.000 0.458 374 Q N 3.303 123.182 119.800 0.131 0.000 2.389 374 Q HA 0.505 4.846 4.340 0.001 0.000 0.277 374 Q C -0.783 175.302 176.000 0.142 0.000 1.082 374 Q CA -0.976 54.906 55.803 0.130 0.000 0.810 374 Q CB 3.271 32.093 28.738 0.140 0.000 1.374 374 Q HN 0.381 nan 8.270 nan 0.000 0.422 375 I N 1.690 122.319 120.570 0.098 0.000 2.826 375 I HA -0.087 4.083 4.170 0.001 0.000 0.295 375 I C 1.384 177.606 176.117 0.176 0.000 1.213 375 I CA 1.957 63.278 61.300 0.034 0.000 1.436 375 I CB -0.305 37.535 38.000 -0.266 0.000 1.348 375 I HN 1.078 nan 8.210 nan 0.000 0.570 376 G N 5.278 114.219 108.800 0.234 0.000 2.195 376 G HA2 -0.209 3.752 3.960 0.001 0.000 0.246 376 G HA3 -0.209 3.752 3.960 0.001 0.000 0.246 376 G C 0.206 175.279 174.900 0.289 0.000 0.984 376 G CA -0.265 45.011 45.100 0.293 0.000 0.633 376 G HN 0.574 nan 8.290 nan 0.000 0.525 377 D N 2.218 122.782 120.400 0.273 0.000 2.426 377 D HA 0.369 5.009 4.640 0.001 0.000 0.261 377 D C 0.945 177.455 176.300 0.349 0.000 1.245 377 D CA 0.881 55.015 54.000 0.223 0.000 0.917 377 D CB 0.681 41.626 40.800 0.242 0.000 1.123 377 D HN 0.219 nan 8.370 nan 0.000 0.508 378 T N 2.579 117.272 114.554 0.232 0.000 2.904 378 T HA 0.373 4.724 4.350 0.001 0.000 0.290 378 T C 0.032 174.817 174.700 0.140 0.000 1.018 378 T CA -0.144 62.172 62.100 0.361 0.000 1.075 378 T CB 0.438 69.448 68.868 0.237 0.000 0.986 378 T HN 0.093 nan 8.240 nan 0.000 0.523 379 F N 1.502 121.626 119.950 0.290 0.000 2.536 379 F HA 0.484 5.012 4.527 0.001 0.000 0.322 379 F C 0.839 176.830 175.800 0.319 0.000 1.144 379 F CA -0.802 57.365 58.000 0.279 0.000 0.924 379 F CB 1.990 41.190 39.000 0.333 0.000 1.181 379 F HN 0.711 nan 8.300 nan 0.000 0.438 380 T N -1.068 113.706 114.554 0.367 0.000 2.644 380 T HA 0.408 4.759 4.350 0.001 0.000 0.253 380 T C -0.048 174.834 174.700 0.304 0.000 0.910 380 T CA -0.644 61.639 62.100 0.304 0.000 1.066 380 T CB 1.456 70.406 68.868 0.137 0.000 1.484 380 T HN 0.526 nan 8.240 nan 0.000 0.560 381 Q N 0.010 119.935 119.800 0.208 0.000 2.211 381 Q HA 0.469 4.810 4.340 0.001 0.000 0.301 381 Q C 0.787 176.841 176.000 0.089 0.000 0.884 381 Q CA 0.078 55.974 55.803 0.154 0.000 1.115 381 Q CB 0.611 29.437 28.738 0.146 0.000 1.217 381 Q HN 1.088 nan 8.270 nan 0.000 0.451 382 G N 0.752 109.596 108.800 0.074 0.000 3.330 382 G HA2 -0.223 3.738 3.960 0.001 0.000 0.197 382 G HA3 -0.223 3.738 3.960 0.001 0.000 0.197 382 G C -0.015 174.897 174.900 0.019 0.000 1.284 382 G CA -0.641 44.482 45.100 0.038 0.000 0.921 382 G HN 0.334 nan 8.290 nan 0.000 0.466 383 E N 1.752 121.964 120.200 0.020 0.000 2.529 383 E HA 0.275 4.626 4.350 0.001 0.000 0.259 383 E C 0.091 176.677 176.600 -0.024 0.000 0.966 383 E CA 0.199 56.596 56.400 -0.006 0.000 0.937 383 E CB 0.149 29.843 29.700 -0.011 0.000 0.923 383 E HN 0.186 nan 8.360 nan 0.000 0.468 384 M N 6.998 126.576 119.600 -0.038 0.000 2.080 384 M HA 0.307 4.788 4.480 0.001 0.000 0.350 384 M C -0.327 175.927 176.300 -0.077 0.000 1.143 384 M CA 0.054 55.323 55.300 -0.052 0.000 1.064 384 M CB -0.137 32.437 32.600 -0.042 0.000 1.429 384 M HN 0.565 nan 8.290 nan 0.000 0.418 385 M N 1.136 120.672 119.600 -0.107 0.000 2.732 385 M HA 0.620 5.101 4.480 0.001 0.000 0.272 385 M C -1.769 174.418 176.300 -0.188 0.000 1.203 385 M CA -0.972 54.236 55.300 -0.153 0.000 0.841 385 M CB 3.168 35.651 32.600 -0.196 0.000 1.685 385 M HN 0.363 nan 8.290 nan 0.000 0.492 386 K N 0.970 121.253 120.400 -0.195 0.000 2.324 386 K HA 0.658 4.979 4.320 0.001 0.000 0.253 386 K C -1.975 174.503 176.600 -0.204 0.000 0.932 386 K CA -0.536 55.662 56.287 -0.147 0.000 0.799 386 K CB 2.106 34.569 32.500 -0.062 0.000 1.154 386 K HN 0.651 nan 8.250 nan 0.000 0.425 387 F N 1.328 121.249 119.950 -0.048 0.000 2.438 387 F HA 0.079 4.607 4.527 0.001 0.000 0.356 387 F C 1.322 177.008 175.800 -0.190 0.000 1.099 387 F CA 0.220 58.132 58.000 -0.147 0.000 1.185 387 F CB 1.512 40.356 39.000 -0.260 0.000 1.115 387 F HN 0.337 nan 8.300 nan 0.000 0.526 388 T N 3.172 117.737 114.554 0.017 0.000 3.315 388 T HA 0.389 4.740 4.350 0.001 0.000 0.275 388 T C 0.733 175.376 174.700 -0.094 0.000 1.598 388 T CA 0.205 62.274 62.100 -0.051 0.000 1.368 388 T CB -0.504 68.330 68.868 -0.057 0.000 1.079 388 T HN 0.854 nan 8.240 nan 0.000 0.703 389 G N 2.086 110.791 108.800 -0.158 0.000 2.597 389 G HA2 0.186 4.147 3.960 0.001 0.000 0.196 389 G HA3 0.186 4.147 3.960 0.001 0.000 0.196 389 G C 0.356 175.184 174.900 -0.121 0.000 1.176 389 G CA -0.338 44.664 45.100 -0.163 0.000 0.747 389 G HN 0.622 nan 8.290 nan 0.000 0.821 390 I N 3.695 124.204 120.570 -0.102 0.000 2.578 390 I HA 0.390 4.560 4.170 0.001 0.000 0.286 390 I C -2.401 173.720 176.117 0.005 0.000 1.126 390 I CA -2.639 58.684 61.300 0.037 0.000 1.380 390 I CB 0.721 38.828 38.000 0.178 0.000 1.408 390 I HN -0.076 nan 8.210 nan 0.000 0.532 391 P HA 0.377 nan 4.420 nan 0.000 0.288 391 P C -1.475 175.710 177.300 -0.192 0.000 1.297 391 P CA -0.901 62.059 63.100 -0.233 0.000 0.864 391 P CB 1.268 32.646 31.700 -0.537 0.000 1.237 392 N N -0.150 118.399 118.700 -0.252 0.000 2.392 392 N HA 0.411 5.152 4.740 0.001 0.000 0.283 392 N C -1.048 174.424 175.510 -0.062 0.000 1.003 392 N CA -0.388 52.641 53.050 -0.035 0.000 0.892 392 N CB 0.688 39.158 38.487 -0.028 0.000 1.193 392 N HN 0.255 nan 8.380 nan 0.000 0.487 393 F N 1.225 121.366 119.950 0.318 0.000 2.425 393 F HA 0.436 4.964 4.527 0.002 0.000 0.331 393 F C 0.914 177.025 175.800 0.519 0.000 1.085 393 F CA -0.943 57.297 58.000 0.399 0.000 1.028 393 F CB 0.961 40.188 39.000 0.377 0.000 1.177 393 F HN 0.350 nan 8.300 nan 0.000 0.487 394 A N 4.143 127.358 122.820 0.658 0.000 2.561 394 A HA 0.266 4.587 4.320 0.001 0.000 0.251 394 A C -2.292 175.497 177.584 0.341 0.000 1.062 394 A CA -1.019 51.263 52.037 0.407 0.000 0.761 394 A CB -1.072 18.100 19.000 0.288 0.000 0.986 394 A HN 0.380 nan 8.150 nan 0.000 0.510 395 P HA 0.135 nan 4.420 nan 0.000 0.271 395 P C 0.031 177.260 177.300 -0.119 0.000 1.216 395 P CA 0.008 63.076 63.100 -0.053 0.000 0.776 395 P CB 0.613 32.112 31.700 -0.334 0.000 0.881 396 E N 0.924 121.061 120.200 -0.105 0.000 2.476 396 E HA 0.160 4.510 4.350 0.001 0.000 0.199 396 E C -0.118 176.480 176.600 -0.003 0.000 1.021 396 E CA -0.028 56.397 56.400 0.043 0.000 0.907 396 E CB 0.176 29.946 29.700 0.118 0.000 0.974 396 E HN 0.189 nan 8.360 nan 0.000 0.489 397 L N 0.881 121.950 121.223 -0.257 0.000 2.409 397 L HA 0.438 4.779 4.340 0.001 0.000 0.272 397 L C -1.249 175.502 176.870 -0.199 0.000 0.980 397 L CA -0.729 54.076 54.840 -0.059 0.000 0.826 397 L CB 1.257 43.333 42.059 0.029 0.000 1.268 397 L HN -0.074 nan 8.230 nan 0.000 0.407 398 F N 3.534 123.626 119.950 0.236 0.000 2.565 398 F HA 0.827 5.355 4.527 0.001 0.000 0.313 398 F C 0.111 175.927 175.800 0.027 0.000 1.091 398 F CA -0.707 57.405 58.000 0.187 0.000 0.915 398 F CB 2.021 41.053 39.000 0.054 0.000 1.208 398 F HN 0.383 nan 8.300 nan 0.000 0.453 399 R N 0.866 121.454 120.500 0.147 0.000 2.690 399 R HA 0.478 4.818 4.340 0.001 0.000 0.269 399 R C -1.506 174.859 176.300 0.108 0.000 1.037 399 R CA -1.190 54.897 56.100 -0.023 0.000 0.877 399 R CB 1.969 32.049 30.300 -0.366 0.000 1.255 399 R HN 0.696 nan 8.270 nan 0.000 0.467 400 R N 1.647 122.214 120.500 0.111 0.000 2.438 400 R HA 0.269 4.610 4.340 0.001 0.000 0.287 400 R C -0.355 176.068 176.300 0.205 0.000 1.077 400 R CA -0.356 55.829 56.100 0.142 0.000 1.034 400 R CB 0.652 31.001 30.300 0.083 0.000 0.993 400 R HN 0.491 nan 8.270 nan 0.000 0.459 401 I N 4.175 124.851 120.570 0.176 0.000 2.498 401 I HA 0.449 4.620 4.170 0.001 0.000 0.301 401 I C -0.141 175.986 176.117 0.017 0.000 0.984 401 I CA -0.373 60.983 61.300 0.092 0.000 1.204 401 I CB 1.437 39.504 38.000 0.112 0.000 1.362 401 I HN 0.724 nan 8.210 nan 0.000 0.471 402 R N 6.205 126.674 120.500 -0.051 0.000 2.633 402 R HA 0.264 4.605 4.340 0.001 0.000 0.255 402 R C -2.142 174.121 176.300 -0.062 0.000 1.106 402 R CA -0.642 55.436 56.100 -0.037 0.000 0.959 402 R CB 1.399 31.689 30.300 -0.016 0.000 1.259 402 R HN 0.316 nan 8.270 nan 0.000 0.453 403 L N 4.022 125.220 121.223 -0.043 0.000 2.418 403 L HA 0.351 4.692 4.340 0.001 0.000 0.265 403 L C 1.083 177.935 176.870 -0.030 0.000 1.143 403 L CA 0.027 54.842 54.840 -0.040 0.000 0.809 403 L CB 0.808 42.851 42.059 -0.026 0.000 1.124 403 L HN 0.549 nan 8.230 nan 0.000 0.456 404 K N 1.802 122.185 120.400 -0.028 0.000 2.737 404 K HA 0.235 4.556 4.320 0.001 0.000 0.251 404 K C -0.787 175.805 176.600 -0.013 0.000 1.280 404 K CA -0.280 55.995 56.287 -0.020 0.000 1.219 404 K CB -0.424 32.065 32.500 -0.019 0.000 1.587 404 K HN 0.741 nan 8.250 nan 0.000 0.279 411 Q N 0.552 120.359 119.800 0.011 0.000 2.329 411 Q HA 0.052 4.393 4.340 0.001 0.000 0.208 411 Q C 1.446 177.432 176.000 -0.025 0.000 0.934 411 Q CA 0.136 55.946 55.803 0.012 0.000 0.951 411 Q CB 0.011 28.779 28.738 0.049 0.000 1.017 411 Q HN 0.189 nan 8.270 nan 0.000 0.490 412 L N 0.745 121.946 121.223 -0.037 0.000 1.991 412 L HA -0.270 4.071 4.340 0.001 0.000 0.221 412 L C 1.993 178.803 176.870 -0.100 0.000 1.079 412 L CA 2.095 56.890 54.840 -0.075 0.000 0.778 412 L CB -0.759 41.273 42.059 -0.046 0.000 0.893 412 L HN 0.577 nan 8.230 nan 0.000 0.437 413 L N -0.227 120.963 121.223 -0.056 0.000 1.976 413 L HA -0.354 3.987 4.340 0.001 0.000 0.223 413 L C 2.735 179.562 176.870 -0.072 0.000 1.081 413 L CA 2.593 57.405 54.840 -0.047 0.000 0.784 413 L CB -0.615 41.433 42.059 -0.019 0.000 0.896 413 L HN 0.443 nan 8.230 nan 0.000 0.438 414 K N -0.741 119.624 120.400 -0.059 0.000 2.074 414 K HA -0.208 4.113 4.320 0.001 0.000 0.209 414 K C 1.874 178.389 176.600 -0.143 0.000 1.048 414 K CA 1.634 57.894 56.287 -0.046 0.000 0.926 414 K CB -0.528 31.983 32.500 0.019 0.000 0.713 414 K HN 0.622 nan 8.250 nan 0.000 0.444 415 G N 1.288 109.864 108.800 -0.372 0.000 2.433 415 G HA2 -0.228 3.733 3.960 0.001 0.000 0.216 415 G HA3 -0.228 3.733 3.960 0.001 0.000 0.216 415 G C 1.535 176.168 174.900 -0.445 0.000 1.186 415 G CA 0.698 45.252 45.100 -0.911 0.000 0.779 415 G HN 0.212 nan 8.290 nan 0.000 0.543 416 L N 0.266 121.338 121.223 -0.250 0.000 2.017 416 L HA -0.111 4.230 4.340 0.001 0.000 0.208 416 L C 3.031 179.860 176.870 -0.067 0.000 1.073 416 L CA 0.666 55.439 54.840 -0.112 0.000 0.745 416 L CB -0.553 41.474 42.059 -0.053 0.000 0.894 416 L HN 0.088 nan 8.230 nan 0.000 0.432 417 V N -0.445 119.432 119.914 -0.063 0.000 2.568 417 V HA -0.308 3.813 4.120 0.001 0.000 0.253 417 V C 2.387 178.474 176.094 -0.013 0.000 1.072 417 V CA 1.816 64.095 62.300 -0.034 0.000 1.084 417 V CB -0.516 31.291 31.823 -0.026 0.000 0.676 417 V HN 0.468 nan 8.190 nan 0.000 0.469 418 Q N 0.072 119.865 119.800 -0.012 0.000 2.096 418 Q HA -0.036 4.305 4.340 0.001 0.000 0.197 418 Q C 1.992 178.028 176.000 0.060 0.000 0.964 418 Q CA 1.570 57.401 55.803 0.046 0.000 0.838 418 Q CB -0.422 28.384 28.738 0.113 0.000 0.906 418 Q HN 0.602 nan 8.270 nan 0.000 0.444 419 L N 0.168 121.410 121.223 0.031 0.000 2.191 419 L HA -0.132 4.208 4.340 0.001 0.000 0.212 419 L C 2.451 179.355 176.870 0.057 0.000 1.103 419 L CA 1.351 56.221 54.840 0.049 0.000 0.769 419 L CB -0.519 41.556 42.059 0.027 0.000 0.908 419 L HN 0.248 nan 8.230 nan 0.000 0.438 420 S N -0.609 115.117 115.700 0.044 0.000 2.395 420 S HA -0.131 4.340 4.470 0.001 0.000 0.225 420 S C 1.930 176.602 174.600 0.121 0.000 1.027 420 S CA 0.702 58.939 58.200 0.061 0.000 0.965 420 S CB -0.052 63.149 63.200 0.001 0.000 0.812 420 S HN 0.345 nan 8.310 nan 0.000 0.482 421 E N 1.226 121.474 120.200 0.081 0.000 2.153 421 E HA -0.035 4.316 4.350 0.001 0.000 0.194 421 E C 1.134 177.867 176.600 0.223 0.000 0.988 421 E CA 0.775 57.233 56.400 0.096 0.000 0.811 421 E CB -0.102 29.631 29.700 0.054 0.000 0.746 421 E HN 0.731 nan 8.360 nan 0.000 0.466 422 E N -1.150 119.146 120.200 0.160 0.000 4.495 422 E HA 0.214 4.565 4.350 0.001 0.000 0.377 422 E C 1.466 178.121 176.600 0.093 0.000 1.395 422 E CA 0.151 56.628 56.400 0.128 0.000 2.229 422 E CB 0.063 29.814 29.700 0.086 0.000 1.608 422 E HN 0.127 nan 8.360 nan 0.000 0.797 423 G N -0.380 108.430 108.800 0.017 0.000 2.656 423 G HA2 0.038 3.998 3.960 0.001 0.000 0.211 423 G HA3 0.038 3.998 3.960 0.001 0.000 0.211 423 G C 1.415 176.307 174.900 -0.013 0.000 1.137 423 G CA 0.656 45.733 45.100 -0.037 0.000 0.802 423 G HN 0.445 nan 8.290 nan 0.000 0.527 424 A N 0.184 123.007 122.820 0.005 0.000 1.873 424 A HA 0.115 4.436 4.320 0.001 0.000 0.219 424 A C 1.553 179.119 177.584 -0.030 0.000 1.269 424 A CA 3.117 55.150 52.037 -0.007 0.000 0.671 424 A CB -1.059 17.956 19.000 0.024 0.000 0.842 424 A HN 1.308 nan 8.150 nan 0.000 0.460 425 V N -5.766 114.148 119.914 0.001 0.000 3.065 425 V HA 0.657 4.777 4.120 0.001 0.000 0.312 425 V C -1.220 174.895 176.094 0.034 0.000 1.412 425 V CA -1.032 61.264 62.300 -0.007 0.000 1.039 425 V CB 1.366 33.189 31.823 0.000 0.000 1.077 425 V HN 0.501 nan 8.190 nan 0.000 0.473 426 Q N 0.213 120.039 119.800 0.044 0.000 2.394 426 Q HA 0.795 5.135 4.340 0.001 0.000 0.273 426 Q C -1.307 174.637 176.000 -0.093 0.000 1.089 426 Q CA -0.887 54.902 55.803 -0.023 0.000 0.812 426 Q CB 2.766 31.525 28.738 0.035 0.000 1.353 426 Q HN 0.975 nan 8.270 nan 0.000 0.438 427 V N -1.181 118.561 119.914 -0.286 0.000 2.715 427 V HA 0.734 4.855 4.120 0.001 0.000 0.310 427 V C -0.984 174.812 176.094 -0.498 0.000 1.054 427 V CA -0.843 61.339 62.300 -0.198 0.000 0.928 427 V CB 1.169 32.959 31.823 -0.055 0.000 1.007 427 V HN 0.610 nan 8.190 nan 0.000 0.437 428 F N 1.642 121.677 119.950 0.142 0.000 2.562 428 F HA 0.690 5.218 4.527 0.002 0.000 0.319 428 F C 0.300 176.143 175.800 0.072 0.000 1.154 428 F CA -0.705 57.363 58.000 0.114 0.000 0.931 428 F CB 2.346 41.418 39.000 0.119 0.000 1.198 428 F HN 0.381 nan 8.300 nan 0.000 0.444 429 R N 3.645 124.260 120.500 0.192 0.000 2.287 429 R HA 0.356 4.697 4.340 0.001 0.000 0.316 429 R C -2.753 173.600 176.300 0.088 0.000 1.050 429 R CA -1.942 54.225 56.100 0.112 0.000 0.983 429 R CB 0.655 30.996 30.300 0.068 0.000 1.140 429 R HN 0.202 nan 8.270 nan 0.000 0.528 430 P HA -0.055 nan 4.420 nan 0.000 0.265 430 P C 0.756 178.057 177.300 0.001 0.000 1.187 430 P CA -0.069 63.038 63.100 0.012 0.000 0.766 430 P CB 0.689 32.377 31.700 -0.020 0.000 0.820 431 I N 1.951 122.511 120.570 -0.016 0.000 2.493 431 I HA -0.156 4.015 4.170 0.001 0.000 0.254 431 I C 1.920 178.020 176.117 -0.027 0.000 1.160 431 I CA 1.772 63.060 61.300 -0.020 0.000 1.445 431 I CB -2.018 35.960 38.000 -0.036 0.000 1.086 431 I HN 0.360 nan 8.210 nan 0.000 0.433 432 S N 0.770 116.448 115.700 -0.037 0.000 2.575 432 S HA 0.100 4.571 4.470 0.001 0.000 0.215 432 S C 0.427 175.011 174.600 -0.026 0.000 0.966 432 S CA -0.279 57.899 58.200 -0.037 0.000 0.911 432 S CB -0.616 62.553 63.200 -0.050 0.000 0.780 432 S HN 0.677 nan 8.310 nan 0.000 0.514 433 N N 0.048 118.737 118.700 -0.018 0.000 3.378 433 N HA 0.308 5.048 4.740 0.001 0.000 0.294 433 N C -0.832 174.678 175.510 -0.000 0.000 1.544 433 N CA -0.886 52.158 53.050 -0.010 0.000 0.872 433 N CB -0.238 38.241 38.487 -0.012 0.000 1.670 433 N HN -0.122 nan 8.380 nan 0.000 0.551 434 N N -0.882 117.820 118.700 0.004 0.000 2.236 434 N HA 0.113 4.854 4.740 0.001 0.000 0.196 434 N C -1.020 174.501 175.510 0.018 0.000 1.114 434 N CA 0.011 53.067 53.050 0.010 0.000 0.859 434 N CB -0.130 38.361 38.487 0.006 0.000 0.982 434 N HN 0.523 nan 8.380 nan 0.000 0.493 435 D N 1.015 121.427 120.400 0.020 0.000 2.443 435 D HA 0.036 4.677 4.640 0.001 0.000 0.234 435 D C 0.456 176.788 176.300 0.054 0.000 1.172 435 D CA 0.609 54.628 54.000 0.032 0.000 0.878 435 D CB 1.267 42.084 40.800 0.028 0.000 1.204 435 D HN 0.038 nan 8.370 nan 0.000 0.453 436 L N 1.869 123.133 121.223 0.069 0.000 2.341 436 L HA 0.496 4.837 4.340 0.001 0.000 0.278 436 L C -0.100 176.859 176.870 0.149 0.000 1.005 436 L CA -0.696 54.204 54.840 0.101 0.000 0.818 436 L CB 1.325 43.431 42.059 0.077 0.000 1.259 436 L HN 0.145 nan 8.230 nan 0.000 0.418 437 I N 3.299 124.003 120.570 0.222 0.000 2.433 437 I HA 0.410 4.581 4.170 0.001 0.000 0.292 437 I C -0.436 175.939 176.117 0.429 0.000 1.001 437 I CA -0.836 60.647 61.300 0.305 0.000 1.119 437 I CB 2.320 40.495 38.000 0.292 0.000 1.289 437 I HN 0.206 nan 8.210 nan 0.000 0.438 438 V N 4.352 124.516 119.914 0.417 0.000 2.472 438 V HA 0.679 4.800 4.120 0.001 0.000 0.290 438 V C 0.494 176.873 176.094 0.476 0.000 1.037 438 V CA -0.528 62.034 62.300 0.437 0.000 0.908 438 V CB 1.538 33.641 31.823 0.466 0.000 0.985 438 V HN 0.913 nan 8.190 nan 0.000 0.454 439 G N 2.395 111.406 108.800 0.353 0.000 2.675 439 G HA2 0.714 4.675 3.960 0.001 0.000 0.297 439 G HA3 0.714 4.675 3.960 0.001 0.000 0.297 439 G C -0.458 174.363 174.900 -0.132 0.000 1.399 439 G CA -0.002 45.128 45.100 0.050 0.000 0.981 439 G HN 1.087 nan 8.290 nan 0.000 0.519 440 A N 1.935 124.510 122.820 -0.408 0.000 2.346 440 A HA 0.812 5.132 4.320 0.001 0.000 0.313 440 A C 0.603 177.929 177.584 -0.431 0.000 1.140 440 A CA -0.527 51.193 52.037 -0.529 0.000 0.826 440 A CB 1.671 20.030 19.000 -1.069 0.000 1.332 440 A HN 0.746 nan 8.150 nan 0.000 0.457 441 V N -0.254 119.402 119.914 -0.429 0.000 2.922 441 V HA 0.306 4.427 4.120 0.001 0.000 0.242 441 V C 1.171 177.026 176.094 -0.399 0.000 1.094 441 V CA 1.459 63.512 62.300 -0.412 0.000 1.106 441 V CB 0.467 31.909 31.823 -0.636 0.000 0.799 441 V HN 1.065 nan 8.190 nan 0.000 0.474 442 G N -0.763 107.737 108.800 -0.500 0.000 2.591 442 G HA2 0.460 4.421 3.960 0.001 0.000 0.306 442 G HA3 0.460 4.421 3.960 0.001 0.000 0.306 442 G C 0.623 175.346 174.900 -0.295 0.000 1.334 442 G CA 0.338 45.278 45.100 -0.266 0.000 0.981 442 G HN 0.119 nan 8.290 nan 0.000 0.491 443 V N 1.650 121.499 119.914 -0.108 0.000 2.313 443 V HA -0.275 3.845 4.120 0.001 0.000 0.253 443 V C 2.560 178.627 176.094 -0.044 0.000 1.070 443 V CA 2.240 64.533 62.300 -0.012 0.000 1.057 443 V CB -1.114 30.774 31.823 0.108 0.000 0.653 443 V HN 0.632 nan 8.190 nan 0.000 0.450 444 L N 0.701 121.891 121.223 -0.056 0.000 2.043 444 L HA -0.266 4.075 4.340 0.001 0.000 0.212 444 L C 2.737 179.566 176.870 -0.069 0.000 1.075 444 L CA 2.520 57.340 54.840 -0.034 0.000 0.752 444 L CB -0.866 41.169 42.059 -0.041 0.000 0.891 444 L HN 0.439 nan 8.230 nan 0.000 0.432 445 Q N -1.084 118.595 119.800 -0.202 0.000 2.133 445 Q HA -0.274 4.067 4.340 0.001 0.000 0.208 445 Q C 2.195 178.132 176.000 -0.104 0.000 0.991 445 Q CA 2.466 58.137 55.803 -0.221 0.000 0.867 445 Q CB -0.437 28.069 28.738 -0.387 0.000 0.911 445 Q HN 0.614 nan 8.270 nan 0.000 0.417 446 F N 0.653 120.583 119.950 -0.033 0.000 2.134 446 F HA -0.220 4.308 4.527 0.001 0.000 0.299 446 F C 1.817 177.714 175.800 0.162 0.000 1.097 446 F CA 0.720 58.720 58.000 -0.001 0.000 1.264 446 F CB -0.018 38.835 39.000 -0.244 0.000 1.001 446 F HN 0.084 nan 8.300 nan 0.000 0.479 447 D N -0.216 120.349 120.400 0.276 0.000 2.178 447 D HA -0.115 4.526 4.640 0.001 0.000 0.202 447 D C 2.201 178.593 176.300 0.152 0.000 0.974 447 D CA 0.808 54.932 54.000 0.208 0.000 0.841 447 D CB -0.271 40.611 40.800 0.136 0.000 0.953 447 D HN 0.058 nan 8.370 nan 0.000 0.478 448 V N 0.016 120.000 119.914 0.116 0.000 2.719 448 V HA -0.104 4.016 4.120 0.001 0.000 0.252 448 V C 2.297 178.453 176.094 0.103 0.000 1.065 448 V CA 0.650 62.999 62.300 0.082 0.000 1.086 448 V CB 0.015 31.861 31.823 0.038 0.000 0.700 448 V HN 0.086 nan 8.190 nan 0.000 0.467 449 V N -0.227 119.776 119.914 0.149 0.000 2.323 449 V HA -0.167 3.954 4.120 0.001 0.000 0.244 449 V C 2.407 178.575 176.094 0.123 0.000 1.041 449 V CA 1.743 64.135 62.300 0.152 0.000 1.025 449 V CB -0.252 31.713 31.823 0.237 0.000 0.656 449 V HN 0.409 nan 8.190 nan 0.000 0.451 450 V N 0.388 120.387 119.914 0.142 0.000 2.515 450 V HA -0.205 3.916 4.120 0.001 0.000 0.250 450 V C 2.617 178.745 176.094 0.056 0.000 1.058 450 V CA 1.803 64.135 62.300 0.052 0.000 1.064 450 V CB -1.046 30.800 31.823 0.037 0.000 0.675 450 V HN 0.541 nan 8.190 nan 0.000 0.461 451 A N 0.245 123.112 122.820 0.079 0.000 1.872 451 A HA -0.153 4.168 4.320 0.001 0.000 0.214 451 A C 2.377 180.009 177.584 0.079 0.000 1.187 451 A CA 1.427 53.505 52.037 0.070 0.000 0.614 451 A CB -0.419 18.622 19.000 0.068 0.000 0.826 451 A HN 0.475 nan 8.150 nan 0.000 0.442 452 R N -0.589 119.969 120.500 0.096 0.000 2.189 452 R HA 0.092 4.432 4.340 0.001 0.000 0.218 452 R C 1.875 178.289 176.300 0.191 0.000 1.074 452 R CA 0.856 57.034 56.100 0.130 0.000 0.991 452 R CB -0.370 30.012 30.300 0.136 0.000 0.883 452 R HN 0.476 nan 8.270 nan 0.000 0.457 453 L N 0.604 121.909 121.223 0.135 0.000 2.109 453 L HA -0.121 4.220 4.340 0.001 0.000 0.207 453 L C 2.603 179.563 176.870 0.151 0.000 1.086 453 L CA 1.200 56.119 54.840 0.132 0.000 0.760 453 L CB -0.276 41.795 42.059 0.019 0.000 0.910 453 L HN 0.103 nan 8.230 nan 0.000 0.437 454 K N -0.743 119.713 120.400 0.094 0.000 2.097 454 K HA -0.155 4.166 4.320 0.001 0.000 0.205 454 K C 2.277 178.920 176.600 0.073 0.000 1.050 454 K CA 1.438 57.767 56.287 0.071 0.000 0.938 454 K CB 0.127 32.653 32.500 0.044 0.000 0.718 454 K HN 0.151 nan 8.250 nan 0.000 0.442 455 S N 0.824 116.572 115.700 0.081 0.000 2.294 455 S HA -0.074 4.397 4.470 0.001 0.000 0.203 455 S C 1.477 176.091 174.600 0.023 0.000 1.022 455 S CA 0.937 59.167 58.200 0.050 0.000 0.955 455 S CB -0.135 63.094 63.200 0.049 0.000 0.943 455 S HN 0.332 nan 8.310 nan 0.000 0.472 456 E N -0.583 119.629 120.200 0.021 0.000 2.409 456 E HA 0.058 4.409 4.350 0.001 0.000 0.198 456 E C -0.448 175.859 176.600 -0.488 0.000 1.024 456 E CA 0.653 56.939 56.400 -0.190 0.000 0.861 456 E CB 0.020 29.594 29.700 -0.209 0.000 0.788 456 E HN 0.533 nan 8.360 nan 0.000 0.521 457 Y N -1.480 118.830 120.300 0.016 0.000 2.665 457 Y HA 0.277 4.828 4.550 0.001 0.000 0.336 457 Y C 0.852 176.758 175.900 0.009 0.000 1.085 457 Y CA -1.156 56.951 58.100 0.013 0.000 1.096 457 Y CB 0.765 39.233 38.460 0.014 0.000 1.301 457 Y HN -0.286 nan 8.280 nan 0.000 0.493 458 N N -0.515 118.284 118.700 0.165 0.000 2.416 458 N HA 0.022 4.763 4.740 0.001 0.000 0.177 458 N C -0.250 175.303 175.510 0.072 0.000 1.036 458 N CA 0.061 53.162 53.050 0.086 0.000 0.901 458 N CB 0.376 38.899 38.487 0.060 0.000 0.976 458 N HN 0.364 nan 8.380 nan 0.000 0.444 459 V N 0.171 120.134 119.914 0.083 0.000 2.963 459 V HA 0.168 4.289 4.120 0.001 0.000 0.306 459 V C -0.204 175.902 176.094 0.020 0.000 1.077 459 V CA -0.135 62.187 62.300 0.036 0.000 1.124 459 V CB 1.068 32.898 31.823 0.013 0.000 0.987 459 V HN 0.073 nan 8.190 nan 0.000 0.487 460 E N 2.214 122.411 120.200 -0.004 0.000 2.182 460 E HA 0.666 5.017 4.350 0.001 0.000 0.258 460 E C -0.302 176.265 176.600 -0.056 0.000 0.879 460 E CA -0.520 55.867 56.400 -0.021 0.000 0.754 460 E CB 1.874 31.566 29.700 -0.014 0.000 1.162 460 E HN 1.046 nan 8.360 nan 0.000 0.419 461 A N 2.629 125.392 122.820 -0.096 0.000 2.281 461 A HA 0.784 5.105 4.320 0.001 0.000 0.329 461 A C -0.547 176.885 177.584 -0.252 0.000 1.122 461 A CA -0.535 51.399 52.037 -0.170 0.000 0.850 461 A CB 1.200 20.075 19.000 -0.209 0.000 1.207 461 A HN 0.384 nan 8.150 nan 0.000 0.495 462 V N 0.344 120.076 119.914 -0.303 0.000 2.971 462 V HA 0.373 4.494 4.120 0.001 0.000 0.309 462 V C -1.284 174.613 176.094 -0.327 0.000 1.130 462 V CA -0.452 61.680 62.300 -0.280 0.000 0.964 462 V CB 1.696 33.449 31.823 -0.117 0.000 1.029 462 V HN 0.876 nan 8.190 nan 0.000 0.427 463 Y N 1.387 121.660 120.300 -0.046 0.000 2.432 463 Y HA 0.690 5.241 4.550 0.002 0.000 0.322 463 Y C 0.351 176.212 175.900 -0.065 0.000 1.246 463 Y CA -0.387 57.664 58.100 -0.081 0.000 1.268 463 Y CB 1.658 40.024 38.460 -0.158 0.000 1.276 463 Y HN 0.598 nan 8.280 nan 0.000 0.499 464 E N 0.196 120.476 120.200 0.134 0.000 2.343 464 E HA 0.286 4.636 4.350 0.001 0.000 0.278 464 E C -1.440 175.174 176.600 0.023 0.000 0.910 464 E CA -0.746 55.687 56.400 0.054 0.000 0.757 464 E CB 1.517 31.241 29.700 0.040 0.000 1.218 464 E HN 0.638 nan 8.360 nan 0.000 0.435 465 S N 1.287 116.990 115.700 0.004 0.000 2.562 465 S HA 0.461 4.931 4.470 0.001 0.000 0.281 465 S C 0.217 174.817 174.600 0.000 0.000 1.333 465 S CA -0.563 57.632 58.200 -0.010 0.000 1.052 465 S CB 0.906 64.101 63.200 -0.008 0.000 0.884 465 S HN 0.476 nan 8.310 nan 0.000 0.506 466 V N -0.229 119.687 119.914 0.003 0.000 3.102 466 V HA 0.601 4.722 4.120 0.001 0.000 0.312 466 V C -0.512 175.573 176.094 -0.016 0.000 1.135 466 V CA -1.203 61.095 62.300 -0.004 0.000 1.022 466 V CB 1.973 33.800 31.823 0.005 0.000 1.056 466 V HN 0.954 nan 8.190 nan 0.000 0.436 467 N N 1.131 119.802 118.700 -0.048 0.000 2.589 467 N HA 0.598 5.339 4.740 0.001 0.000 0.232 467 N C -1.522 173.907 175.510 -0.134 0.000 1.015 467 N CA 0.044 53.055 53.050 -0.065 0.000 0.931 467 N CB 1.308 39.761 38.487 -0.057 0.000 1.150 467 N HN 0.650 nan 8.380 nan 0.000 0.512 468 V N 1.891 121.713 119.914 -0.154 0.000 2.752 468 V HA 0.312 4.432 4.120 0.001 0.000 0.302 468 V C 0.518 176.499 176.094 -0.189 0.000 1.133 468 V CA -0.653 61.450 62.300 -0.329 0.000 0.919 468 V CB 1.469 32.829 31.823 -0.772 0.000 1.026 468 V HN 0.615 nan 8.190 nan 0.000 0.429 469 A N 3.577 126.311 122.820 -0.143 0.000 1.901 469 A HA 0.527 4.847 4.320 0.001 0.000 0.210 469 A C 0.909 178.553 177.584 0.101 0.000 1.208 469 A CA 1.521 53.566 52.037 0.014 0.000 0.644 469 A CB 0.174 19.187 19.000 0.020 0.000 0.863 469 A HN 1.009 nan 8.150 nan 0.000 0.454 470 T N -4.297 110.237 114.554 -0.032 0.000 2.731 470 T HA 0.681 5.032 4.350 0.001 0.000 0.300 470 T C -0.707 173.910 174.700 -0.139 0.000 1.283 470 T CA -0.163 61.993 62.100 0.092 0.000 1.005 470 T CB 1.265 70.216 68.868 0.138 0.000 1.420 470 T HN 1.041 nan 8.240 nan 0.000 0.503 471 A N 0.633 123.434 122.820 -0.033 0.000 2.374 471 A HA 0.898 5.219 4.320 0.001 0.000 0.317 471 A C -0.831 176.656 177.584 -0.162 0.000 1.094 471 A CA -0.973 50.927 52.037 -0.229 0.000 0.765 471 A CB 1.207 19.894 19.000 -0.521 0.000 1.268 471 A HN 0.629 nan 8.150 nan 0.000 0.438 472 R N 1.449 121.889 120.500 -0.101 0.000 2.532 472 R HA 0.239 4.580 4.340 0.001 0.000 0.297 472 R C -1.202 175.052 176.300 -0.077 0.000 0.984 472 R CA -0.416 55.685 56.100 0.002 0.000 0.884 472 R CB 1.028 31.491 30.300 0.271 0.000 1.182 472 R HN 0.841 nan 8.270 nan 0.000 0.442 473 W N 2.577 124.009 121.300 0.219 0.000 2.193 473 W HA 0.138 4.799 4.660 0.001 0.000 0.338 473 W C 0.262 176.805 176.519 0.040 0.000 1.310 473 W CA -0.061 57.388 57.345 0.174 0.000 1.243 473 W CB 0.562 30.136 29.460 0.190 0.000 1.165 473 W HN 0.073 nan 8.180 nan 0.000 0.566 474 V N 2.405 122.428 119.914 0.183 0.000 2.715 474 V HA 0.460 4.581 4.120 0.001 0.000 0.310 474 V C -0.211 175.852 176.094 -0.051 0.000 1.054 474 V CA -0.764 61.465 62.300 -0.119 0.000 0.928 474 V CB 2.001 33.773 31.823 -0.085 0.000 1.007 474 V HN 0.540 nan 8.190 nan 0.000 0.437 475 E N 2.588 122.568 120.200 -0.367 0.000 2.381 475 E HA 0.501 4.852 4.350 0.001 0.000 0.286 475 E C -2.133 174.021 176.600 -0.743 0.000 0.960 475 E CA -0.469 55.688 56.400 -0.405 0.000 0.793 475 E CB 2.140 31.791 29.700 -0.081 0.000 1.225 475 E HN 0.774 nan 8.360 nan 0.000 0.420 476 C N 3.723 122.457 119.300 -0.944 0.000 2.832 476 C HA 0.685 5.146 4.460 0.001 0.000 0.383 476 C C 0.953 175.705 174.990 -0.397 0.000 1.046 476 C CA 0.351 58.904 59.018 -0.776 0.000 1.242 476 C CB 0.488 27.538 27.740 -1.152 0.000 1.693 476 C HN 0.915 nan 8.230 nan 0.000 0.497 477 A N 2.770 125.468 122.820 -0.203 0.000 2.168 477 A HA 0.078 4.399 4.320 0.001 0.000 0.215 477 A C 0.792 178.359 177.584 -0.029 0.000 1.152 477 A CA 1.271 53.257 52.037 -0.086 0.000 0.716 477 A CB -0.159 18.805 19.000 -0.060 0.000 0.794 477 A HN 0.867 nan 8.150 nan 0.000 0.465 478 D N -0.214 120.171 120.400 -0.025 0.000 2.412 478 D HA 0.542 5.183 4.640 0.001 0.000 0.224 478 D C 1.050 177.420 176.300 0.117 0.000 1.093 478 D CA 0.445 54.468 54.000 0.038 0.000 0.850 478 D CB 1.427 42.248 40.800 0.034 0.000 1.046 478 D HN 0.094 nan 8.370 nan 0.000 0.507 479 A N 4.516 127.413 122.820 0.128 0.000 1.969 479 A HA -0.180 4.141 4.320 0.001 0.000 0.218 479 A C 1.982 179.661 177.584 0.158 0.000 1.169 479 A CA 1.312 53.455 52.037 0.176 0.000 0.635 479 A CB -0.043 19.027 19.000 0.117 0.000 0.810 479 A HN 0.473 nan 8.150 nan 0.000 0.445 480 K N 0.236 120.707 120.400 0.119 0.000 2.001 480 K HA -0.083 4.238 4.320 0.001 0.000 0.208 480 K C 2.046 178.732 176.600 0.143 0.000 1.048 480 K CA 1.683 58.033 56.287 0.105 0.000 0.932 480 K CB -0.221 32.327 32.500 0.079 0.000 0.715 480 K HN 0.162 nan 8.250 nan 0.000 0.437 481 K N -0.072 120.423 120.400 0.159 0.000 2.147 481 K HA -0.093 4.228 4.320 0.001 0.000 0.205 481 K C 2.115 178.900 176.600 0.308 0.000 1.049 481 K CA 1.247 57.656 56.287 0.203 0.000 0.936 481 K CB -0.382 32.212 32.500 0.158 0.000 0.722 481 K HN 0.325 nan 8.250 nan 0.000 0.446 482 F N 1.045 121.047 119.950 0.087 0.000 2.163 482 F HA -0.195 4.333 4.527 0.001 0.000 0.297 482 F C 2.211 178.096 175.800 0.142 0.000 1.094 482 F CA 0.807 58.860 58.000 0.089 0.000 1.290 482 F CB 0.255 39.275 39.000 0.033 0.000 1.017 482 F HN 0.053 nan 8.300 nan 0.000 0.483 483 E N 0.998 121.276 120.200 0.130 0.000 2.204 483 E HA -0.227 4.124 4.350 0.001 0.000 0.194 483 E C 1.873 178.501 176.600 0.045 0.000 0.989 483 E CA 1.108 57.504 56.400 -0.006 0.000 0.824 483 E CB -0.316 29.385 29.700 0.002 0.000 0.756 483 E HN 0.536 nan 8.360 nan 0.000 0.477 484 E N -1.170 119.112 120.200 0.137 0.000 2.152 484 E HA -0.147 4.204 4.350 0.001 0.000 0.192 484 E C 1.754 178.450 176.600 0.159 0.000 0.983 484 E CA 0.699 57.193 56.400 0.155 0.000 0.818 484 E CB -0.204 29.623 29.700 0.213 0.000 0.758 484 E HN 0.382 nan 8.360 nan 0.000 0.467 485 F N 1.786 121.747 119.950 0.017 0.000 2.113 485 F HA -0.079 4.448 4.527 0.001 0.000 0.297 485 F C 1.926 177.609 175.800 -0.195 0.000 1.103 485 F CA 1.394 59.243 58.000 -0.251 0.000 1.248 485 F CB 0.023 38.926 39.000 -0.162 0.000 0.999 485 F HN -0.168 nan 8.300 nan 0.000 0.475 486 K N 0.055 120.336 120.400 -0.199 0.000 2.147 486 K HA -0.177 4.144 4.320 0.001 0.000 0.205 486 K C 2.337 178.782 176.600 -0.259 0.000 1.049 486 K CA 1.321 57.423 56.287 -0.309 0.000 0.936 486 K CB -0.275 32.092 32.500 -0.222 0.000 0.722 486 K HN 0.265 nan 8.250 nan 0.000 0.446 487 R N 1.564 121.968 120.500 -0.160 0.000 2.073 487 R HA -0.106 4.235 4.340 0.001 0.000 0.234 487 R C 1.467 177.701 176.300 -0.110 0.000 1.134 487 R CA 1.611 57.650 56.100 -0.101 0.000 0.952 487 R CB 0.106 30.384 30.300 -0.036 0.000 0.850 487 R HN -0.043 nan 8.270 nan 0.000 0.433 488 K N -0.373 119.955 120.400 -0.120 0.000 2.444 488 K HA 0.110 4.431 4.320 0.001 0.000 0.193 488 K C 0.278 176.792 176.600 -0.145 0.000 1.024 488 K CA 0.288 56.533 56.287 -0.070 0.000 1.077 488 K CB 0.480 33.023 32.500 0.072 0.000 0.833 488 K HN 0.209 nan 8.250 nan 0.000 0.517 489 N N 0.321 118.838 118.700 -0.306 0.000 2.305 489 N HA -0.033 4.708 4.740 0.001 0.000 0.248 489 N C 0.299 175.648 175.510 -0.268 0.000 1.290 489 N CA 0.085 52.956 53.050 -0.298 0.000 0.873 489 N CB 0.899 39.080 38.487 -0.511 0.000 1.261 489 N HN 0.217 nan 8.380 nan 0.000 0.504 490 E N 1.469 121.542 120.200 -0.212 0.000 2.097 490 E HA -0.185 4.165 4.350 0.001 0.000 0.196 490 E C 1.670 178.182 176.600 -0.146 0.000 1.000 490 E CA 1.494 57.795 56.400 -0.166 0.000 0.804 490 E CB 0.242 29.870 29.700 -0.120 0.000 0.740 490 E HN 0.274 nan 8.360 nan 0.000 0.454 491 S N -0.296 115.323 115.700 -0.135 0.000 2.481 491 S HA -0.073 4.398 4.470 0.001 0.000 0.231 491 S C 1.377 175.869 174.600 -0.180 0.000 0.996 491 S CA 0.517 58.641 58.200 -0.127 0.000 0.942 491 S CB 0.188 63.329 63.200 -0.099 0.000 0.768 491 S HN 0.208 nan 8.310 nan 0.000 0.520 492 Q N 0.585 120.233 119.800 -0.253 0.000 2.188 492 Q HA 0.463 4.804 4.340 0.001 0.000 0.212 492 Q C -0.469 175.265 176.000 -0.443 0.000 0.846 492 Q CA 0.030 55.573 55.803 -0.433 0.000 0.989 492 Q CB 0.471 28.802 28.738 -0.678 0.000 1.114 492 Q HN 0.541 nan 8.270 nan 0.000 0.488 493 L N 0.210 121.289 121.223 -0.240 0.000 2.342 493 L HA 0.853 5.194 4.340 0.001 0.000 0.271 493 L C -0.344 176.487 176.870 -0.065 0.000 1.008 493 L CA -0.878 53.886 54.840 -0.127 0.000 0.818 493 L CB 1.938 43.950 42.059 -0.078 0.000 1.296 493 L HN -0.031 nan 8.230 nan 0.000 0.427 494 A N 2.623 125.450 122.820 0.012 0.000 2.588 494 A HA 0.861 5.181 4.320 0.001 0.000 0.290 494 A C -1.688 175.991 177.584 0.158 0.000 1.136 494 A CA -0.539 51.548 52.037 0.084 0.000 0.681 494 A CB 1.599 20.673 19.000 0.123 0.000 1.282 494 A HN 0.560 nan 8.150 nan 0.000 0.421 495 L N 0.936 122.260 121.223 0.168 0.000 2.346 495 L HA 0.408 4.749 4.340 0.001 0.000 0.274 495 L C -0.460 176.501 176.870 0.151 0.000 1.007 495 L CA -0.963 53.974 54.840 0.162 0.000 0.818 495 L CB 1.827 43.943 42.059 0.095 0.000 1.284 495 L HN 0.735 nan 8.230 nan 0.000 0.424 496 D N 1.139 121.630 120.400 0.151 0.000 2.372 496 D HA 0.073 4.713 4.640 0.001 0.000 0.243 496 D C 1.011 177.289 176.300 -0.037 0.000 1.297 496 D CA 0.469 54.486 54.000 0.028 0.000 0.958 496 D CB 1.366 42.252 40.800 0.142 0.000 1.114 496 D HN 0.708 nan 8.370 nan 0.000 0.496 497 G N -0.672 108.072 108.800 -0.093 0.000 2.484 497 G HA2 -0.049 3.911 3.960 0.001 0.000 0.218 497 G HA3 -0.049 3.911 3.960 0.001 0.000 0.218 497 G C 1.071 175.939 174.900 -0.053 0.000 1.130 497 G CA 0.672 45.733 45.100 -0.065 0.000 0.784 497 G HN 0.468 nan 8.290 nan 0.000 0.543 498 G N -0.476 108.289 108.800 -0.060 0.000 3.337 498 G HA2 0.372 4.333 3.960 0.001 0.000 0.246 498 G HA3 0.372 4.333 3.960 0.001 0.000 0.246 498 G C 0.133 175.018 174.900 -0.025 0.000 1.131 498 G CA 0.385 45.444 45.100 -0.069 0.000 0.773 498 G HN 0.227 nan 8.290 nan 0.000 0.544 499 D N -0.953 119.455 120.400 0.012 0.000 3.041 499 D HA -0.147 4.494 4.640 0.001 0.000 0.220 499 D C -0.079 176.268 176.300 0.079 0.000 1.157 499 D CA 0.708 54.732 54.000 0.041 0.000 0.876 499 D CB -1.440 39.372 40.800 0.021 0.000 1.107 499 D HN 0.506 nan 8.370 nan 0.000 0.422 500 N N 0.251 119.023 118.700 0.120 0.000 2.472 500 N HA 0.427 5.168 4.740 0.001 0.000 0.277 500 N C -0.413 175.297 175.510 0.332 0.000 1.081 500 N CA -0.715 52.458 53.050 0.204 0.000 0.973 500 N CB 1.004 39.589 38.487 0.164 0.000 1.105 500 N HN 0.086 nan 8.380 nan 0.000 0.470 501 L N 2.225 123.630 121.223 0.303 0.000 2.416 501 L HA 0.530 4.871 4.340 0.001 0.000 0.272 501 L C -0.390 176.692 176.870 0.352 0.000 1.161 501 L CA 0.124 55.136 54.840 0.287 0.000 0.845 501 L CB -0.036 42.171 42.059 0.246 0.000 1.119 501 L HN 0.706 nan 8.230 nan 0.000 0.464 502 A N 4.488 127.451 122.820 0.238 0.000 2.455 502 A HA 0.412 4.733 4.320 0.001 0.000 0.300 502 A C -1.751 175.875 177.584 0.069 0.000 1.040 502 A CA -0.549 51.533 52.037 0.075 0.000 0.697 502 A CB 0.634 19.598 19.000 -0.060 0.000 1.265 502 A HN 0.637 nan 8.150 nan 0.000 0.407 503 Y N 3.807 124.084 120.300 -0.038 0.000 2.365 503 Y HA 0.467 5.017 4.550 0.001 0.000 0.340 503 Y C -0.242 175.591 175.900 -0.110 0.000 1.016 503 Y CA -0.622 57.487 58.100 0.015 0.000 1.196 503 Y CB 0.586 39.169 38.460 0.206 0.000 1.167 503 Y HN 0.466 nan 8.280 nan 0.000 0.509 504 I N 7.297 127.515 120.570 -0.586 0.000 2.282 504 I HA 0.269 4.440 4.170 0.001 0.000 0.290 504 I C 0.406 176.168 176.117 -0.590 0.000 1.090 504 I CA -0.500 60.463 61.300 -0.562 0.000 1.231 504 I CB -0.361 37.329 38.000 -0.517 0.000 1.434 504 I HN 0.710 nan 8.210 nan 0.000 0.487 505 A N 4.546 127.202 122.820 -0.274 0.000 2.401 505 A HA 0.376 4.696 4.320 0.001 0.000 0.259 505 A C 1.300 178.801 177.584 -0.138 0.000 1.103 505 A CA -0.148 51.867 52.037 -0.038 0.000 0.789 505 A CB 0.362 19.493 19.000 0.219 0.000 1.035 505 A HN 0.714 nan 8.150 nan 0.000 0.491 506 T N 1.007 115.508 114.554 -0.088 0.000 2.904 506 T HA 0.088 4.439 4.350 0.001 0.000 0.267 506 T C 0.797 175.471 174.700 -0.043 0.000 1.059 506 T CA 1.608 63.655 62.100 -0.087 0.000 1.137 506 T CB -0.307 68.525 68.868 -0.059 0.000 0.879 506 T HN 1.176 nan 8.240 nan 0.000 0.467 507 S N -1.145 114.552 115.700 -0.004 0.000 2.588 507 S HA 0.435 4.906 4.470 0.001 0.000 0.269 507 S C 0.549 175.166 174.600 0.027 0.000 1.157 507 S CA -0.898 57.308 58.200 0.010 0.000 0.824 507 S CB 0.905 64.111 63.200 0.010 0.000 1.126 507 S HN -0.175 nan 8.310 nan 0.000 0.464 508 M N 1.082 120.698 119.600 0.025 0.000 2.159 508 M HA -0.015 4.466 4.480 0.001 0.000 0.263 508 M C 2.193 178.495 176.300 0.004 0.000 1.063 508 M CA 1.300 56.612 55.300 0.020 0.000 1.110 508 M CB -1.612 31.002 32.600 0.023 0.000 1.374 508 M HN 0.674 nan 8.290 nan 0.000 0.411 509 V N 1.195 121.112 119.914 0.006 0.000 2.231 509 V HA -0.343 3.777 4.120 0.001 0.000 0.248 509 V C 2.023 178.117 176.094 0.000 0.000 1.054 509 V CA 2.232 64.532 62.300 -0.001 0.000 1.015 509 V CB -0.960 30.866 31.823 0.004 0.000 0.638 509 V HN 0.536 nan 8.190 nan 0.000 0.444 510 N N -0.418 118.297 118.700 0.025 0.000 2.149 510 N HA -0.219 4.522 4.740 0.001 0.000 0.188 510 N C 1.709 177.249 175.510 0.050 0.000 1.019 510 N CA 1.325 54.410 53.050 0.058 0.000 0.857 510 N CB -0.208 38.335 38.487 0.094 0.000 0.997 510 N HN 0.355 nan 8.380 nan 0.000 0.426 511 L N 1.554 122.794 121.223 0.028 0.000 1.994 511 L HA -0.099 4.242 4.340 0.001 0.000 0.208 511 L C 1.894 178.612 176.870 -0.253 0.000 1.071 511 L CA 1.679 56.458 54.840 -0.102 0.000 0.745 511 L CB -0.406 41.628 42.059 -0.041 0.000 0.892 511 L HN 0.023 nan 8.230 nan 0.000 0.431 512 R N -0.279 120.128 120.500 -0.156 0.000 2.152 512 R HA -0.069 4.272 4.340 0.001 0.000 0.232 512 R C 2.248 178.457 176.300 -0.151 0.000 1.117 512 R CA 1.265 57.266 56.100 -0.165 0.000 0.981 512 R CB -1.133 29.113 30.300 -0.091 0.000 0.870 512 R HN 0.442 nan 8.270 nan 0.000 0.451 513 L N -0.255 120.910 121.223 -0.098 0.000 2.023 513 L HA -0.058 4.283 4.340 0.001 0.000 0.205 513 L C 2.511 179.364 176.870 -0.028 0.000 1.073 513 L CA 1.285 56.099 54.840 -0.044 0.000 0.745 513 L CB -0.662 41.401 42.059 0.008 0.000 0.900 513 L HN 0.124 nan 8.230 nan 0.000 0.435 514 A N -0.398 122.384 122.820 -0.063 0.000 1.917 514 A HA -0.283 4.038 4.320 0.001 0.000 0.219 514 A C 2.205 179.743 177.584 -0.077 0.000 1.182 514 A CA 1.819 53.871 52.037 0.025 0.000 0.633 514 A CB -0.533 18.325 19.000 -0.236 0.000 0.819 514 A HN 0.502 nan 8.150 nan 0.000 0.448 515 Q N -1.095 118.373 119.800 -0.552 0.000 2.050 515 Q HA -0.191 4.150 4.340 0.001 0.000 0.202 515 Q C 2.234 178.137 176.000 -0.162 0.000 0.980 515 Q CA 1.433 56.874 55.803 -0.603 0.000 0.840 515 Q CB -0.228 28.110 28.738 -0.667 0.000 0.898 515 Q HN 0.831 nan 8.270 nan 0.000 0.424 516 E N 1.265 121.386 120.200 -0.130 0.000 2.208 516 E HA -0.168 4.183 4.350 0.001 0.000 0.193 516 E C 1.723 178.291 176.600 -0.053 0.000 0.988 516 E CA 0.869 57.225 56.400 -0.073 0.000 0.828 516 E CB 0.097 29.753 29.700 -0.074 0.000 0.763 516 E HN 0.239 nan 8.360 nan 0.000 0.478 517 R N -1.030 119.448 120.500 -0.036 0.000 2.153 517 R HA -0.033 4.308 4.340 0.001 0.000 0.218 517 R C 0.327 176.425 176.300 -0.336 0.000 1.072 517 R CA 0.831 56.830 56.100 -0.168 0.000 0.990 517 R CB 0.168 30.379 30.300 -0.149 0.000 0.889 517 R HN 0.135 nan 8.270 nan 0.000 0.452 518 Y N -0.043 120.314 120.300 0.095 0.000 2.562 518 Y HA 0.261 4.812 4.550 0.001 0.000 0.363 518 Y C -1.818 174.122 175.900 0.066 0.000 0.991 518 Y CA -2.378 55.797 58.100 0.125 0.000 1.121 518 Y CB 1.266 39.883 38.460 0.262 0.000 1.159 518 Y HN -0.009 nan 8.280 nan 0.000 0.651 519 P HA -0.096 nan 4.420 nan 0.000 0.230 519 P C 0.350 177.670 177.300 0.034 0.000 1.158 519 P CA 1.266 64.396 63.100 0.051 0.000 0.769 519 P CB 0.571 32.275 31.700 0.007 0.000 0.807 520 D N -0.472 119.950 120.400 0.036 0.000 2.349 520 D HA 0.039 4.680 4.640 0.001 0.000 0.215 520 D C 0.568 176.809 176.300 -0.099 0.000 1.016 520 D CA 0.347 54.338 54.000 -0.016 0.000 0.870 520 D CB 0.541 41.342 40.800 0.003 0.000 0.917 520 D HN 0.088 nan 8.370 nan 0.000 0.524 521 V N 1.603 121.450 119.914 -0.111 0.000 2.465 521 V HA 0.133 4.254 4.120 0.001 0.000 0.279 521 V C 0.174 176.112 176.094 -0.259 0.000 1.045 521 V CA -0.576 61.509 62.300 -0.359 0.000 0.938 521 V CB 1.666 33.083 31.823 -0.676 0.000 0.986 521 V HN -0.121 nan 8.190 nan 0.000 0.467 522 Q N 3.379 122.923 119.800 -0.427 0.000 2.256 522 Q HA 0.550 4.891 4.340 0.001 0.000 0.254 522 Q C -1.253 174.396 176.000 -0.585 0.000 0.916 522 Q CA 0.146 55.714 55.803 -0.391 0.000 0.932 522 Q CB 1.259 29.735 28.738 -0.436 0.000 1.207 522 Q HN 0.592 nan 8.270 nan 0.000 0.426 523 F N 2.562 122.243 119.950 -0.450 0.000 2.434 523 F HA 0.305 4.833 4.527 0.002 0.000 0.355 523 F C -0.224 175.449 175.800 -0.211 0.000 1.115 523 F CA -0.703 57.131 58.000 -0.276 0.000 1.010 523 F CB 0.948 39.844 39.000 -0.173 0.000 1.234 523 F HN 0.439 nan 8.300 nan 0.000 0.439 524 H N 2.931 122.144 119.070 0.238 0.000 2.488 524 H HA 0.156 4.713 4.556 0.001 0.000 0.322 524 H C 0.656 176.194 175.328 0.350 0.000 1.078 524 H CA -0.258 55.943 56.048 0.254 0.000 1.260 524 H CB 1.914 31.816 29.762 0.234 0.000 1.425 524 H HN 0.710 nan 8.280 nan 0.000 0.471 525 Q N 2.210 122.256 119.800 0.410 0.000 2.444 525 Q HA 0.028 4.368 4.340 0.001 0.000 0.206 525 Q C -0.218 176.064 176.000 0.470 0.000 0.948 525 Q CA 0.382 56.408 55.803 0.373 0.000 0.946 525 Q CB 0.707 29.602 28.738 0.261 0.000 1.027 525 Q HN 0.522 nan 8.270 nan 0.000 0.513 526 T N -0.290 114.524 114.554 0.435 0.000 2.843 526 T HA 0.623 4.974 4.350 0.001 0.000 0.302 526 T C -1.799 172.880 174.700 -0.035 0.000 1.232 526 T CA -0.869 61.341 62.100 0.182 0.000 1.009 526 T CB 1.773 70.595 68.868 -0.076 0.000 1.254 526 T HN 0.515 nan 8.240 nan 0.000 0.504 527 R N 1.451 121.706 120.500 -0.407 0.000 2.663 527 R HA 0.633 4.974 4.340 0.001 0.000 0.267 527 R C -1.545 174.497 176.300 -0.431 0.000 1.038 527 R CA -0.889 54.885 56.100 -0.544 0.000 0.886 527 R CB 1.005 30.663 30.300 -1.071 0.000 1.249 527 R HN 0.534 nan 8.270 nan 0.000 0.463 528 E N 1.814 121.823 120.200 -0.319 0.000 2.366 528 E HA 0.032 4.383 4.350 0.001 0.000 0.266 528 E C -0.517 175.972 176.600 -0.184 0.000 1.015 528 E CA 0.121 56.397 56.400 -0.207 0.000 0.906 528 E CB 0.345 29.949 29.700 -0.161 0.000 0.979 528 E HN 0.534 nan 8.360 nan 0.000 0.443 529 H N 0.000 118.965 119.070 -0.175 0.000 2.539 529 H HA 0.000 4.557 4.556 0.001 0.000 0.296 529 H CA 0.000 55.974 56.048 -0.124 0.000 1.023 529 H CB 0.000 29.737 29.762 -0.042 0.000 1.292 529 H HN 0.000 nan 8.280 nan 0.000 0.496