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 1w1k_1_B DATA FIRST_RESID 6 DATA SEQUENCE EFRPLTLPPK LSLSDFNEFI QDIIRIVGSE NVEVISXXXX XVDGSYMKPT DATA SEQUENCE HTHDPHHVMD QDYFLASAIV APRNVADVQS IVGLANKFSF PLWPISIGRN DATA SEQUENCE SGYGGAAPRV SGSVVLDMGK NMNRVLEVNV EGAYCVVEPG VTYHDLHNYL DATA SEQUENCE EANNLRDKLW LDVPDLGGGS VLGNAVERGV GYTPYGDHWM MHSGMEVVLA DATA SEQUENCE NGELLRTGMG ALPDPKRPET MGLKPEDQPW SKTAHLFPYG FGPYIDGLFS DATA SEQUENCE QSNMGIVTKI GIWLMPNPRG YQSYLITLPK DGDLKQAVDI IRPLRLGMAL DATA SEQUENCE QNVPTIRHIL LDAAVLGDKR SYSSRTEPLS DEELDKIAKQ LNLGRWNFYG DATA SEQUENCE ALYGPEPIRR VLWETIKDAF SAIPGVKFYF PEDTPENSVL RVRDKTMQGI DATA SEQUENCE PTYDELKWID WLPNGAHLFF SPIAKVSGED AMMQYAVTKK RCQEAGLDFI DATA SEQUENCE GTFTVGMREM HHIVCIVFNK KDLIQKRKVQ WLMRTLIDDC AANGWGEYRT DATA SEQUENCE HLAFMDQIME TYNWNNSSFL RFNEVLKNAV DPNGIIAPGK SGVWPSQYSH DATA SEQUENCE VTWKL 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.377 176.600 -0.372 0.000 1.382 6 E CA 0.000 56.038 56.400 -0.604 0.000 0.976 6 E CB 0.000 29.574 29.700 -0.210 0.000 0.812 7 F N 0.133 120.163 119.950 0.134 0.000 2.315 7 F HA 0.317 4.844 4.527 -0.001 0.000 0.284 7 F C 1.359 177.204 175.800 0.075 0.000 1.049 7 F CA 0.305 58.379 58.000 0.124 0.000 1.323 7 F CB 0.448 39.493 39.000 0.074 0.000 1.113 7 F HN 0.378 nan 8.300 nan 0.000 0.544 8 R N 1.576 122.204 120.500 0.213 0.000 2.320 8 R HA 0.432 4.772 4.340 -0.001 0.000 0.319 8 R C -2.943 173.328 176.300 -0.047 0.000 0.969 8 R CA -1.806 54.322 56.100 0.047 0.000 0.857 8 R CB 0.293 30.630 30.300 0.061 0.000 1.160 8 R HN -0.030 nan 8.270 nan 0.000 0.491 9 P HA 0.231 nan 4.420 nan 0.000 0.283 9 P C 0.298 177.505 177.300 -0.154 0.000 1.271 9 P CA -0.806 62.158 63.100 -0.228 0.000 0.841 9 P CB 1.136 32.492 31.700 -0.572 0.000 1.122 10 L N -0.425 120.745 121.223 -0.088 0.000 2.044 10 L HA 0.008 4.348 4.340 -0.001 0.000 0.205 10 L C 0.526 177.352 176.870 -0.072 0.000 1.075 10 L CA 1.618 56.422 54.840 -0.061 0.000 0.747 10 L CB -0.251 41.791 42.059 -0.030 0.000 0.903 10 L HN 0.427 nan 8.230 nan 0.000 0.435 11 T N 0.047 114.558 114.554 -0.072 0.000 2.928 11 T HA 0.503 4.852 4.350 -0.001 0.000 0.296 11 T C -0.595 174.055 174.700 -0.084 0.000 1.000 11 T CA -0.511 61.549 62.100 -0.066 0.000 0.989 11 T CB 2.260 71.108 68.868 -0.033 0.000 1.005 11 T HN -0.184 nan 8.240 nan 0.000 0.442 12 L N 4.945 126.102 121.223 -0.109 0.000 2.357 12 L HA 0.484 4.824 4.340 -0.001 0.000 0.273 12 L C -1.815 175.011 176.870 -0.072 0.000 1.080 12 L CA -1.934 52.826 54.840 -0.132 0.000 0.803 12 L CB 0.207 42.169 42.059 -0.162 0.000 1.174 12 L HN 0.375 nan 8.230 nan 0.000 0.443 13 P HA 0.148 nan 4.420 nan 0.000 0.269 13 P C -2.635 174.611 177.300 -0.089 0.000 1.209 13 P CA -1.256 61.764 63.100 -0.132 0.000 0.776 13 P CB -0.272 31.157 31.700 -0.452 0.000 0.876 14 P HA 0.100 nan 4.420 nan 0.000 0.268 14 P C 0.042 177.319 177.300 -0.038 0.000 1.204 14 P CA 0.228 63.356 63.100 0.047 0.000 0.768 14 P CB 0.172 31.989 31.700 0.196 0.000 0.842 15 K N -1.016 119.363 120.400 -0.035 0.000 3.446 15 K HA -0.194 4.126 4.320 -0.001 0.000 0.312 15 K C -0.381 176.196 176.600 -0.038 0.000 1.329 15 K CA 0.426 56.690 56.287 -0.039 0.000 0.935 15 K CB -1.482 30.990 32.500 -0.047 0.000 1.281 15 K HN 0.235 nan 8.250 nan 0.000 0.457 16 L N 1.130 122.316 121.223 -0.061 0.000 2.333 16 L HA 0.355 4.694 4.340 -0.001 0.000 0.280 16 L C 0.341 177.194 176.870 -0.028 0.000 1.004 16 L CA -0.141 54.664 54.840 -0.057 0.000 0.820 16 L CB 1.693 43.648 42.059 -0.174 0.000 1.247 16 L HN 0.195 nan 8.230 nan 0.000 0.416 17 S N 3.611 119.325 115.700 0.023 0.000 2.600 17 S HA 0.177 4.646 4.470 -0.001 0.000 0.265 17 S C 1.131 175.768 174.600 0.062 0.000 1.325 17 S CA -0.347 57.874 58.200 0.035 0.000 1.002 17 S CB 0.727 63.959 63.200 0.053 0.000 0.921 17 S HN 0.734 nan 8.310 nan 0.000 0.554 18 L N 1.678 122.930 121.223 0.049 0.000 2.017 18 L HA -0.042 4.298 4.340 -0.001 0.000 0.208 18 L C 2.880 179.841 176.870 0.153 0.000 1.073 18 L CA 2.050 56.933 54.840 0.072 0.000 0.745 18 L CB -0.888 41.190 42.059 0.033 0.000 0.894 18 L HN 0.953 nan 8.230 nan 0.000 0.432 19 S N -0.770 115.005 115.700 0.126 0.000 2.374 19 S HA -0.248 4.221 4.470 -0.001 0.000 0.227 19 S C 1.723 176.427 174.600 0.174 0.000 1.037 19 S CA 1.867 60.152 58.200 0.142 0.000 1.024 19 S CB -0.404 62.863 63.200 0.113 0.000 0.861 19 S HN 0.546 nan 8.310 nan 0.000 0.456 20 D N -0.128 120.382 120.400 0.182 0.000 2.103 20 D HA -0.047 4.593 4.640 -0.001 0.000 0.199 20 D C 1.611 177.981 176.300 0.117 0.000 0.978 20 D CA 0.855 54.979 54.000 0.207 0.000 0.829 20 D CB -0.531 40.426 40.800 0.262 0.000 0.981 20 D HN 0.513 nan 8.370 nan 0.000 0.464 21 F N 1.855 121.809 119.950 0.006 0.000 2.154 21 F HA -0.198 4.329 4.527 -0.001 0.000 0.301 21 F C 1.995 177.856 175.800 0.101 0.000 1.087 21 F CA 1.270 59.295 58.000 0.041 0.000 1.274 21 F CB -0.009 39.007 39.000 0.027 0.000 1.009 21 F HN -0.110 nan 8.300 nan 0.000 0.485 22 N N 0.209 119.095 118.700 0.310 0.000 2.216 22 N HA -0.197 4.543 4.740 -0.001 0.000 0.183 22 N C 1.905 177.461 175.510 0.077 0.000 1.017 22 N CA 1.332 54.510 53.050 0.213 0.000 0.861 22 N CB -0.258 38.382 38.487 0.255 0.000 0.986 22 N HN 0.520 nan 8.380 nan 0.000 0.428 23 E N 0.030 120.272 120.200 0.070 0.000 2.072 23 E HA -0.151 4.198 4.350 -0.001 0.000 0.191 23 E C 1.811 178.353 176.600 -0.096 0.000 0.985 23 E CA 0.525 56.949 56.400 0.040 0.000 0.801 23 E CB -0.077 29.712 29.700 0.148 0.000 0.750 23 E HN 0.211 nan 8.360 nan 0.000 0.452 24 F N 0.946 120.612 119.950 -0.473 0.000 2.026 24 F HA -0.233 4.294 4.527 -0.001 0.000 0.296 24 F C 2.083 177.627 175.800 -0.426 0.000 1.133 24 F CA 1.675 59.274 58.000 -0.669 0.000 1.188 24 F CB -0.284 38.251 39.000 -0.775 0.000 0.968 24 F HN 0.013 nan 8.300 nan 0.000 0.476 25 I N 0.455 120.898 120.570 -0.211 0.000 2.454 25 I HA -0.279 3.891 4.170 -0.001 0.000 0.254 25 I C 2.202 178.183 176.117 -0.226 0.000 1.156 25 I CA 0.989 62.125 61.300 -0.275 0.000 1.433 25 I CB -0.538 37.270 38.000 -0.321 0.000 1.082 25 I HN 0.245 nan 8.210 nan 0.000 0.432 26 Q N 0.125 119.828 119.800 -0.161 0.000 2.124 26 Q HA -0.200 4.140 4.340 -0.001 0.000 0.202 26 Q C 1.809 177.726 176.000 -0.138 0.000 0.977 26 Q CA 1.457 57.193 55.803 -0.112 0.000 0.850 26 Q CB -0.451 28.261 28.738 -0.043 0.000 0.901 26 Q HN 0.492 nan 8.270 nan 0.000 0.429 27 D N -0.377 119.903 120.400 -0.201 0.000 2.149 27 D HA -0.042 4.598 4.640 -0.001 0.000 0.201 27 D C 1.956 178.106 176.300 -0.250 0.000 0.972 27 D CA 0.577 54.455 54.000 -0.204 0.000 0.835 27 D CB 0.056 40.724 40.800 -0.220 0.000 0.966 27 D HN 0.249 nan 8.370 nan 0.000 0.476 28 I N 0.624 120.977 120.570 -0.361 0.000 2.233 28 I HA -0.175 3.994 4.170 -0.001 0.000 0.243 28 I C 2.450 178.449 176.117 -0.198 0.000 1.093 28 I CA 0.636 61.745 61.300 -0.318 0.000 1.380 28 I CB -0.268 37.485 38.000 -0.411 0.000 1.067 28 I HN -0.054 nan 8.210 nan 0.000 0.413 29 I N 0.693 121.158 120.570 -0.174 0.000 2.248 29 I HA -0.329 3.840 4.170 -0.001 0.000 0.248 29 I C 2.827 178.887 176.117 -0.096 0.000 1.107 29 I CA 1.419 62.648 61.300 -0.119 0.000 1.373 29 I CB -0.327 37.609 38.000 -0.107 0.000 1.055 29 I HN 0.171 nan 8.210 nan 0.000 0.418 30 R N 0.434 120.875 120.500 -0.099 0.000 2.081 30 R HA -0.152 4.188 4.340 -0.001 0.000 0.235 30 R C 2.226 178.482 176.300 -0.074 0.000 1.131 30 R CA 1.557 57.612 56.100 -0.075 0.000 0.960 30 R CB -0.126 30.132 30.300 -0.070 0.000 0.856 30 R HN 0.339 nan 8.270 nan 0.000 0.436 31 I N -0.469 120.044 120.570 -0.095 0.000 2.206 31 I HA -0.185 3.985 4.170 -0.001 0.000 0.239 31 I C 2.091 178.163 176.117 -0.076 0.000 1.078 31 I CA 0.868 62.117 61.300 -0.086 0.000 1.367 31 I CB -0.057 37.880 38.000 -0.105 0.000 1.078 31 I HN 0.067 nan 8.210 nan 0.000 0.413 32 V N -0.923 118.938 119.914 -0.088 0.000 3.541 32 V HA 0.425 4.544 4.120 -0.001 0.000 0.267 32 V C 0.922 176.981 176.094 -0.057 0.000 1.213 32 V CA 0.168 62.424 62.300 -0.072 0.000 1.149 32 V CB -1.304 30.470 31.823 -0.081 0.000 0.822 32 V HN 0.528 nan 8.190 nan 0.000 0.462 33 G N 1.093 109.858 108.800 -0.058 0.000 2.728 33 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.686 33 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.686 33 G C 0.435 175.307 174.900 -0.046 0.000 1.337 33 G CA 0.340 45.413 45.100 -0.046 0.000 0.861 33 G HN 1.547 nan 8.290 nan 0.000 0.597 34 S N -0.253 115.422 115.700 -0.041 0.000 2.547 34 S HA -0.025 4.445 4.470 -0.001 0.000 0.235 34 S C 1.552 176.135 174.600 -0.028 0.000 0.980 34 S CA 1.607 59.782 58.200 -0.041 0.000 0.941 34 S CB 0.108 63.284 63.200 -0.040 0.000 0.763 34 S HN 0.660 nan 8.310 nan 0.000 0.532 35 E N 2.036 122.223 120.200 -0.022 0.000 2.274 35 E HA 0.070 4.420 4.350 -0.001 0.000 0.194 35 E C 0.594 177.187 176.600 -0.012 0.000 0.996 35 E CA 0.430 56.822 56.400 -0.012 0.000 0.840 35 E CB -0.294 29.400 29.700 -0.010 0.000 0.772 35 E HN 0.594 nan 8.360 nan 0.000 0.491 36 N N 0.418 119.104 118.700 -0.023 0.000 2.273 36 N HA 0.080 4.819 4.740 -0.001 0.000 0.231 36 N C -0.722 174.769 175.510 -0.032 0.000 1.134 36 N CA 0.097 53.131 53.050 -0.026 0.000 0.856 36 N CB 1.632 40.097 38.487 -0.037 0.000 1.068 36 N HN -0.127 nan 8.380 nan 0.000 0.510 37 V N 0.368 120.266 119.914 -0.027 0.000 2.623 37 V HA 0.343 4.462 4.120 -0.001 0.000 0.304 37 V C -0.255 175.838 176.094 -0.001 0.000 1.054 37 V CA -0.834 61.451 62.300 -0.026 0.000 0.882 37 V CB 2.995 34.784 31.823 -0.056 0.000 1.002 37 V HN -0.012 nan 8.190 nan 0.000 0.424 38 E N 3.129 123.345 120.200 0.027 0.000 2.220 38 E HA 0.525 4.875 4.350 -0.001 0.000 0.256 38 E C -1.403 175.244 176.600 0.080 0.000 0.881 38 E CA -0.396 56.033 56.400 0.049 0.000 0.766 38 E CB 2.241 31.981 29.700 0.067 0.000 1.187 38 E HN 0.532 nan 8.360 nan 0.000 0.419 39 V N 5.113 125.077 119.914 0.085 0.000 2.583 39 V HA 0.196 4.316 4.120 -0.001 0.000 0.287 39 V C 0.342 176.504 176.094 0.114 0.000 1.051 39 V CA -0.535 61.854 62.300 0.148 0.000 1.010 39 V CB 1.067 32.996 31.823 0.178 0.000 0.988 39 V HN 0.571 nan 8.190 nan 0.000 0.478 40 I N 4.532 125.175 120.570 0.122 0.000 2.304 40 I HA 0.448 4.618 4.170 -0.001 0.000 0.291 40 I C 0.451 176.596 176.117 0.047 0.000 1.018 40 I CA 0.393 61.741 61.300 0.081 0.000 1.260 40 I CB 0.378 38.431 38.000 0.089 0.000 1.390 40 I HN 0.724 nan 8.210 nan 0.000 0.475 48 D N 2.448 123.011 120.400 0.272 0.000 2.178 48 D HA 0.127 4.767 4.640 -0.001 0.000 0.201 48 D C 1.431 177.840 176.300 0.182 0.000 0.980 48 D CA 2.159 56.370 54.000 0.351 0.000 0.842 48 D CB 0.104 41.075 40.800 0.285 0.000 0.948 48 D HN 1.181 nan 8.370 nan 0.000 0.472 49 G N -0.141 108.729 108.800 0.118 0.000 2.564 49 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.273 49 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.273 49 G C 0.240 175.170 174.900 0.050 0.000 1.242 49 G CA 0.893 46.029 45.100 0.060 0.000 0.951 49 G HN 0.729 nan 8.290 nan 0.000 0.564 50 S N -3.123 112.600 115.700 0.037 0.000 3.121 50 S HA 0.619 5.089 4.470 -0.001 0.000 0.324 50 S C 0.561 175.218 174.600 0.094 0.000 1.192 50 S CA 0.556 58.793 58.200 0.063 0.000 0.937 50 S CB 1.030 64.260 63.200 0.050 0.000 1.336 50 S HN 1.677 nan 8.310 nan 0.000 0.664 51 Y N 0.550 120.855 120.300 0.007 0.000 2.269 51 Y HA 0.222 4.772 4.550 -0.001 0.000 0.294 51 Y C 2.360 178.276 175.900 0.026 0.000 1.120 51 Y CA 1.636 59.754 58.100 0.030 0.000 1.159 51 Y CB -0.378 38.108 38.460 0.043 0.000 1.024 51 Y HN 0.522 nan 8.280 nan 0.000 0.532 52 M N 0.078 119.719 119.600 0.069 0.000 2.099 52 M HA -0.084 4.396 4.480 -0.001 0.000 0.262 52 M C 0.582 176.832 176.300 -0.082 0.000 1.067 52 M CA 1.476 56.759 55.300 -0.027 0.000 1.124 52 M CB -0.102 32.490 32.600 -0.013 0.000 1.353 52 M HN -0.241 nan 8.290 nan 0.000 0.410 53 K N 1.219 121.582 120.400 -0.062 0.000 2.423 53 K HA 0.319 4.639 4.320 -0.001 0.000 0.234 53 K C -2.606 173.928 176.600 -0.110 0.000 1.051 53 K CA -2.613 53.626 56.287 -0.081 0.000 1.021 53 K CB 0.094 32.563 32.500 -0.052 0.000 1.474 53 K HN -0.024 nan 8.250 nan 0.000 0.474 54 P HA 0.092 nan 4.420 nan 0.000 0.280 54 P C -0.147 176.987 177.300 -0.276 0.000 1.244 54 P CA -0.377 62.621 63.100 -0.170 0.000 0.784 54 P CB 1.046 32.650 31.700 -0.159 0.000 0.913 55 T N 1.397 115.853 114.554 -0.162 0.000 2.898 55 T HA 0.101 4.450 4.350 -0.001 0.000 0.301 55 T C 0.621 175.261 174.700 -0.100 0.000 1.049 55 T CA 0.138 62.153 62.100 -0.142 0.000 1.095 55 T CB -0.155 68.698 68.868 -0.025 0.000 0.976 55 T HN 0.420 nan 8.240 nan 0.000 0.539 56 H N 0.921 120.040 119.070 0.082 0.000 2.893 56 H HA 0.192 4.747 4.556 -0.001 0.000 0.270 56 H C 1.865 177.268 175.328 0.124 0.000 1.095 56 H CA 0.338 56.440 56.048 0.090 0.000 1.186 56 H CB 0.734 30.544 29.762 0.080 0.000 1.562 56 H HN 0.717 nan 8.280 nan 0.000 0.536 57 T N -1.988 112.725 114.554 0.266 0.000 3.034 57 T HA 0.018 4.367 4.350 -0.001 0.000 0.248 57 T C 0.779 175.665 174.700 0.310 0.000 1.040 57 T CA 0.175 62.443 62.100 0.280 0.000 1.107 57 T CB 0.405 69.447 68.868 0.290 0.000 0.932 57 T HN 0.442 nan 8.240 nan 0.000 0.474 58 H N -0.640 118.517 119.070 0.145 0.000 2.950 58 H HA 0.541 5.097 4.556 -0.001 0.000 0.272 58 H C -2.034 173.420 175.328 0.210 0.000 1.495 58 H CA -0.685 55.466 56.048 0.173 0.000 1.183 58 H CB 0.639 30.503 29.762 0.170 0.000 1.867 58 H HN 0.027 nan 8.280 nan 0.000 0.597 59 D N 2.194 122.675 120.400 0.135 0.000 2.380 59 D HA 0.227 4.867 4.640 -0.001 0.000 0.230 59 D C -1.488 174.917 176.300 0.175 0.000 1.154 59 D CA -2.456 51.653 54.000 0.180 0.000 0.859 59 D CB 1.317 42.385 40.800 0.448 0.000 1.045 59 D HN 0.195 nan 8.370 nan 0.000 0.495 60 P HA -0.123 nan 4.420 nan 0.000 0.220 60 P C 0.180 177.599 177.300 0.199 0.000 1.148 60 P CA 1.013 64.197 63.100 0.141 0.000 0.803 60 P CB 0.198 31.986 31.700 0.147 0.000 0.782 61 H N -0.823 118.260 119.070 0.022 0.000 2.533 61 H HA 0.115 4.671 4.556 -0.001 0.000 0.281 61 H C 0.122 175.558 175.328 0.182 0.000 1.238 61 H CA -0.739 55.286 56.048 -0.039 0.000 1.024 61 H CB -0.609 29.203 29.762 0.084 0.000 1.604 61 H HN 0.399 nan 8.280 nan 0.000 0.531 62 H N -0.800 118.549 119.070 0.466 0.000 3.107 62 H HA 0.012 4.568 4.556 -0.001 0.000 0.301 62 H C 1.394 177.014 175.328 0.487 0.000 0.981 62 H CA -0.129 56.204 56.048 0.476 0.000 1.443 62 H CB 0.660 30.654 29.762 0.386 0.000 1.479 62 H HN 0.163 nan 8.280 nan 0.000 0.564 63 V N 0.466 120.628 119.914 0.415 0.000 2.825 63 V HA 0.050 4.169 4.120 -0.001 0.000 0.246 63 V C 0.930 177.071 176.094 0.078 0.000 1.068 63 V CA 0.261 62.602 62.300 0.069 0.000 1.088 63 V CB -0.167 31.593 31.823 -0.105 0.000 0.733 63 V HN 0.553 nan 8.190 nan 0.000 0.468 64 M N 0.779 120.466 119.600 0.145 0.000 2.154 64 M HA 0.415 4.895 4.480 -0.001 0.000 0.251 64 M C -0.096 176.243 176.300 0.064 0.000 1.200 64 M CA -0.571 54.713 55.300 -0.026 0.000 0.967 64 M CB -0.274 32.187 32.600 -0.231 0.000 1.362 64 M HN 0.170 nan 8.290 nan 0.000 0.522 65 D N 1.588 121.961 120.400 -0.046 0.000 2.548 65 D HA -0.107 4.533 4.640 -0.001 0.000 0.231 65 D C 0.988 177.304 176.300 0.028 0.000 1.142 65 D CA 0.360 54.361 54.000 0.002 0.000 0.866 65 D CB 0.495 41.302 40.800 0.011 0.000 1.190 65 D HN 0.563 nan 8.370 nan 0.000 0.469 66 Q N 1.583 121.283 119.800 -0.166 0.000 2.217 66 Q HA -0.221 4.119 4.340 -0.001 0.000 0.209 66 Q C 0.731 176.737 176.000 0.011 0.000 0.988 66 Q CA 1.679 57.301 55.803 -0.302 0.000 0.878 66 Q CB 0.200 28.651 28.738 -0.479 0.000 0.909 66 Q HN 0.579 nan 8.270 nan 0.000 0.424 67 D N -1.447 118.958 120.400 0.008 0.000 2.424 67 D HA -0.077 4.563 4.640 -0.001 0.000 0.220 67 D C 1.000 177.333 176.300 0.055 0.000 1.150 67 D CA -0.333 53.683 54.000 0.025 0.000 0.831 67 D CB -0.276 40.504 40.800 -0.034 0.000 0.981 67 D HN 0.273 nan 8.370 nan 0.000 0.500 68 Y N 1.350 121.603 120.300 -0.078 0.000 2.089 68 Y HA 0.022 4.572 4.550 -0.001 0.000 0.282 68 Y C 0.224 175.917 175.900 -0.345 0.000 1.139 68 Y CA 1.035 58.977 58.100 -0.263 0.000 1.123 68 Y CB -0.109 38.102 38.460 -0.415 0.000 0.980 68 Y HN -0.201 nan 8.280 nan 0.000 0.493 69 F N 1.187 121.222 119.950 0.142 0.000 2.371 69 F HA 0.445 4.972 4.527 -0.001 0.000 0.363 69 F C -0.609 175.220 175.800 0.050 0.000 1.122 69 F CA -0.687 57.329 58.000 0.026 0.000 1.129 69 F CB 0.952 39.977 39.000 0.042 0.000 1.173 69 F HN -0.179 nan 8.300 nan 0.000 0.489 70 L N 2.974 124.283 121.223 0.143 0.000 2.464 70 L HA 0.851 5.190 4.340 -0.001 0.000 0.266 70 L C -0.565 176.371 176.870 0.110 0.000 0.965 70 L CA -0.539 54.378 54.840 0.129 0.000 0.833 70 L CB 1.660 43.764 42.059 0.076 0.000 1.296 70 L HN 0.606 nan 8.230 nan 0.000 0.405 71 A N 2.183 125.084 122.820 0.134 0.000 2.366 71 A HA 0.491 4.811 4.320 -0.001 0.000 0.249 71 A C 1.005 178.686 177.584 0.162 0.000 1.084 71 A CA 0.373 52.502 52.037 0.153 0.000 0.794 71 A CB 0.485 19.587 19.000 0.169 0.000 1.034 71 A HN 1.059 nan 8.150 nan 0.000 0.491 72 S N 0.435 116.270 115.700 0.225 0.000 2.456 72 S HA 0.500 4.970 4.470 -0.001 0.000 0.224 72 S C 0.674 175.465 174.600 0.319 0.000 1.035 72 S CA 0.777 59.133 58.200 0.259 0.000 0.940 72 S CB -0.226 63.204 63.200 0.383 0.000 0.799 72 S HN 2.032 nan 8.310 nan 0.000 0.508 73 A N -0.022 122.973 122.820 0.291 0.000 2.602 73 A HA 0.778 5.097 4.320 -0.001 0.000 0.290 73 A C -1.819 175.853 177.584 0.147 0.000 1.114 73 A CA -0.839 51.329 52.037 0.218 0.000 0.683 73 A CB 0.819 19.945 19.000 0.210 0.000 1.281 73 A HN 0.285 nan 8.150 nan 0.000 0.416 74 I N 0.363 120.997 120.570 0.107 0.000 2.465 74 I HA 0.560 4.730 4.170 -0.001 0.000 0.291 74 I C -0.773 175.358 176.117 0.024 0.000 1.014 74 I CA -0.572 60.773 61.300 0.074 0.000 1.093 74 I CB 2.154 40.218 38.000 0.106 0.000 1.267 74 I HN 0.363 nan 8.210 nan 0.000 0.431 75 V N 4.729 124.636 119.914 -0.013 0.000 2.680 75 V HA 0.797 4.917 4.120 -0.001 0.000 0.309 75 V C -0.161 175.898 176.094 -0.059 0.000 1.052 75 V CA -0.744 61.528 62.300 -0.046 0.000 0.908 75 V CB 1.834 33.611 31.823 -0.076 0.000 1.001 75 V HN 0.780 nan 8.190 nan 0.000 0.431 76 A N 6.014 128.798 122.820 -0.059 0.000 2.536 76 A HA 0.748 5.068 4.320 -0.001 0.000 0.329 76 A C -2.576 174.971 177.584 -0.061 0.000 1.321 76 A CA -1.624 50.376 52.037 -0.062 0.000 0.804 76 A CB 0.465 19.438 19.000 -0.046 0.000 1.126 76 A HN 0.578 nan 8.150 nan 0.000 0.480 77 P HA 0.080 nan 4.420 nan 0.000 0.265 77 P C 0.292 177.561 177.300 -0.053 0.000 1.193 77 P CA 0.092 63.153 63.100 -0.064 0.000 0.765 77 P CB 0.867 32.526 31.700 -0.068 0.000 0.823 78 R N 2.050 122.521 120.500 -0.048 0.000 2.200 78 R HA 0.079 4.419 4.340 -0.001 0.000 0.208 78 R C 0.994 177.274 176.300 -0.033 0.000 1.033 78 R CA 0.667 56.745 56.100 -0.037 0.000 1.000 78 R CB -0.130 30.150 30.300 -0.034 0.000 0.906 78 R HN 0.720 nan 8.270 nan 0.000 0.462 79 N N -3.307 115.370 118.700 -0.038 0.000 3.348 79 N HA 0.002 4.741 4.740 -0.001 0.000 0.233 79 N C 0.245 175.731 175.510 -0.039 0.000 1.440 79 N CA -0.680 52.351 53.050 -0.033 0.000 0.887 79 N CB 1.097 39.567 38.487 -0.027 0.000 1.410 79 N HN -0.343 nan 8.380 nan 0.000 0.502 80 V N 0.132 120.025 119.914 -0.036 0.000 2.380 80 V HA -0.263 3.856 4.120 -0.001 0.000 0.251 80 V C 2.643 178.710 176.094 -0.046 0.000 1.063 80 V CA 2.704 64.979 62.300 -0.042 0.000 1.055 80 V CB -1.284 30.516 31.823 -0.039 0.000 0.657 80 V HN 0.830 nan 8.190 nan 0.000 0.455 81 A N -0.192 122.602 122.820 -0.042 0.000 1.969 81 A HA -0.210 4.110 4.320 -0.001 0.000 0.218 81 A C 1.930 179.484 177.584 -0.049 0.000 1.169 81 A CA 1.828 53.839 52.037 -0.043 0.000 0.635 81 A CB -0.502 18.475 19.000 -0.038 0.000 0.810 81 A HN 0.540 nan 8.150 nan 0.000 0.445 82 D N -0.240 120.128 120.400 -0.053 0.000 2.144 82 D HA -0.073 4.567 4.640 -0.001 0.000 0.200 82 D C 2.015 178.274 176.300 -0.068 0.000 0.978 82 D CA 1.255 55.217 54.000 -0.064 0.000 0.833 82 D CB -0.341 40.420 40.800 -0.065 0.000 0.961 82 D HN 0.245 nan 8.370 nan 0.000 0.470 83 V N 0.909 120.785 119.914 -0.062 0.000 2.343 83 V HA -0.255 3.865 4.120 -0.001 0.000 0.247 83 V C 2.354 178.416 176.094 -0.054 0.000 1.051 83 V CA 1.561 63.824 62.300 -0.062 0.000 1.036 83 V CB -0.628 31.158 31.823 -0.063 0.000 0.654 83 V HN 0.215 nan 8.190 nan 0.000 0.451 84 Q N -0.134 119.636 119.800 -0.050 0.000 2.167 84 Q HA -0.144 4.196 4.340 -0.001 0.000 0.202 84 Q C 2.512 178.490 176.000 -0.036 0.000 0.970 84 Q CA 1.795 57.573 55.803 -0.041 0.000 0.855 84 Q CB -0.221 28.493 28.738 -0.040 0.000 0.911 84 Q HN 0.604 nan 8.270 nan 0.000 0.438 85 S N 0.697 116.368 115.700 -0.048 0.000 2.357 85 S HA -0.059 4.410 4.470 -0.001 0.000 0.221 85 S C 1.960 176.519 174.600 -0.067 0.000 1.031 85 S CA 0.696 58.863 58.200 -0.055 0.000 0.982 85 S CB -0.100 63.059 63.200 -0.069 0.000 0.853 85 S HN 0.236 nan 8.310 nan 0.000 0.458 86 I N 1.285 121.803 120.570 -0.086 0.000 2.163 86 I HA -0.182 3.988 4.170 -0.001 0.000 0.243 86 I C 2.223 178.331 176.117 -0.015 0.000 1.085 86 I CA 0.915 62.154 61.300 -0.102 0.000 1.347 86 I CB -0.512 37.426 38.000 -0.103 0.000 1.044 86 I HN 0.115 nan 8.210 nan 0.000 0.408 87 V N 0.979 120.891 119.914 -0.003 0.000 2.252 87 V HA -0.298 3.822 4.120 -0.001 0.000 0.249 87 V C 2.594 178.722 176.094 0.057 0.000 1.056 87 V CA 2.359 64.677 62.300 0.030 0.000 1.022 87 V CB -1.574 30.250 31.823 0.002 0.000 0.641 87 V HN 0.617 nan 8.190 nan 0.000 0.445 88 G N -0.432 108.386 108.800 0.030 0.000 2.469 88 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.219 88 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.219 88 G C 1.578 176.530 174.900 0.085 0.000 1.150 88 G CA 1.261 46.384 45.100 0.038 0.000 0.763 88 G HN 0.487 nan 8.290 nan 0.000 0.561 89 L N 0.546 121.831 121.223 0.104 0.000 2.072 89 L HA 0.081 4.420 4.340 -0.001 0.000 0.205 89 L C 3.376 180.566 176.870 0.534 0.000 1.079 89 L CA 0.921 55.907 54.840 0.243 0.000 0.752 89 L CB -0.384 41.671 42.059 -0.007 0.000 0.906 89 L HN 0.267 nan 8.230 nan 0.000 0.436 90 A N 0.073 123.157 122.820 0.440 0.000 1.978 90 A HA -0.213 4.107 4.320 -0.001 0.000 0.220 90 A C 2.094 179.887 177.584 0.349 0.000 1.170 90 A CA 1.783 54.116 52.037 0.493 0.000 0.636 90 A CB -0.550 18.634 19.000 0.306 0.000 0.810 90 A HN 0.432 nan 8.150 nan 0.000 0.448 91 N N -0.196 118.638 118.700 0.224 0.000 2.142 91 N HA -0.149 4.590 4.740 -0.001 0.000 0.186 91 N C 1.697 177.277 175.510 0.117 0.000 1.023 91 N CA 1.633 54.769 53.050 0.143 0.000 0.852 91 N CB -0.308 38.228 38.487 0.082 0.000 0.998 91 N HN 0.606 nan 8.380 nan 0.000 0.424 92 K N -0.200 120.265 120.400 0.108 0.000 2.103 92 K HA -0.057 4.262 4.320 -0.001 0.000 0.207 92 K C 0.836 177.296 176.600 -0.233 0.000 1.048 92 K CA 1.315 57.541 56.287 -0.101 0.000 0.930 92 K CB -0.065 32.318 32.500 -0.195 0.000 0.716 92 K HN 0.103 nan 8.250 nan 0.000 0.444 93 F N 0.054 120.130 119.950 0.211 0.000 2.682 93 F HA 0.264 4.790 4.527 -0.001 0.000 0.308 93 F C -0.068 175.802 175.800 0.117 0.000 1.093 93 F CA -0.355 57.758 58.000 0.189 0.000 1.244 93 F CB 0.611 39.797 39.000 0.311 0.000 1.052 93 F HN -0.250 nan 8.300 nan 0.000 0.573 94 S N 1.354 117.207 115.700 0.255 0.000 3.436 94 S HA -0.268 4.201 4.470 -0.001 0.000 0.393 94 S C -0.601 174.114 174.600 0.192 0.000 0.914 94 S CA 0.153 58.464 58.200 0.185 0.000 1.317 94 S CB -1.821 61.440 63.200 0.102 0.000 0.920 94 S HN 0.288 nan 8.310 nan 0.000 0.564 95 F N 3.143 123.147 119.950 0.090 0.000 2.434 95 F HA 0.486 5.013 4.527 -0.001 0.000 0.355 95 F C -2.554 173.265 175.800 0.031 0.000 1.115 95 F CA -2.617 55.364 58.000 -0.031 0.000 1.010 95 F CB 1.117 39.920 39.000 -0.328 0.000 1.234 95 F HN -0.009 nan 8.300 nan 0.000 0.439 96 P HA 0.094 nan 4.420 nan 0.000 0.264 96 P C -0.899 176.605 177.300 0.340 0.000 1.183 96 P CA 0.482 63.781 63.100 0.332 0.000 0.763 96 P CB 0.478 32.334 31.700 0.259 0.000 0.807 97 L N 3.241 124.583 121.223 0.200 0.000 2.329 97 L HA 0.518 4.858 4.340 -0.001 0.000 0.279 97 L C -0.159 176.822 176.870 0.186 0.000 1.014 97 L CA -0.411 54.514 54.840 0.142 0.000 0.814 97 L CB 1.794 43.886 42.059 0.055 0.000 1.257 97 L HN 0.442 nan 8.230 nan 0.000 0.424 98 W N 6.348 127.645 121.300 -0.005 0.000 2.363 98 W HA 0.366 5.026 4.660 -0.000 0.000 0.314 98 W C -2.610 173.884 176.519 -0.042 0.000 0.994 98 W CA -1.820 55.508 57.345 -0.029 0.000 1.449 98 W CB 1.930 31.386 29.460 -0.007 0.000 1.248 98 W HN 0.226 nan 8.180 nan 0.000 0.409 99 P HA 0.243 nan 4.420 nan 0.000 0.286 99 P C -0.495 176.598 177.300 -0.344 0.000 1.269 99 P CA 0.201 63.120 63.100 -0.302 0.000 0.787 99 P CB 1.623 33.146 31.700 -0.295 0.000 0.920 100 I N -0.834 119.639 120.570 -0.162 0.000 3.108 100 I HA 0.574 4.743 4.170 -0.001 0.000 0.312 100 I C 0.570 176.626 176.117 -0.103 0.000 1.095 100 I CA -0.758 60.477 61.300 -0.108 0.000 1.000 100 I CB 1.863 39.870 38.000 0.013 0.000 1.229 100 I HN -0.007 nan 8.210 nan 0.000 0.454 101 S N 1.541 117.197 115.700 -0.073 0.000 2.591 101 S HA 0.373 4.842 4.470 -0.001 0.000 0.235 101 S C 1.145 175.720 174.600 -0.041 0.000 1.074 101 S CA 0.364 58.523 58.200 -0.067 0.000 0.925 101 S CB 0.272 63.431 63.200 -0.067 0.000 0.818 101 S HN 0.661 nan 8.310 nan 0.000 0.535 102 I N -0.561 120.008 120.570 -0.002 0.000 4.706 102 I HA 0.277 4.447 4.170 -0.001 0.000 0.321 102 I C 1.419 177.599 176.117 0.105 0.000 1.249 102 I CA 0.995 62.320 61.300 0.041 0.000 1.321 102 I CB -0.481 37.535 38.000 0.027 0.000 1.342 102 I HN 0.446 nan 8.210 nan 0.000 0.463 103 G N 2.273 111.133 108.800 0.100 0.000 2.149 103 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.235 103 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.235 103 G C 0.784 175.750 174.900 0.110 0.000 1.018 103 G CA 0.114 45.302 45.100 0.147 0.000 0.728 103 G HN 0.351 nan 8.290 nan 0.000 0.508 104 R N -0.381 120.175 120.500 0.093 0.000 2.480 104 R HA 0.150 4.490 4.340 -0.001 0.000 0.277 104 R C 1.123 177.530 176.300 0.178 0.000 1.008 104 R CA -0.278 55.877 56.100 0.092 0.000 1.090 104 R CB -0.041 30.284 30.300 0.041 0.000 1.234 104 R HN 0.170 nan 8.270 nan 0.000 0.549 105 N N 0.820 119.623 118.700 0.173 0.000 2.715 105 N HA -0.002 4.737 4.740 -0.001 0.000 0.254 105 N C -0.678 174.940 175.510 0.180 0.000 1.306 105 N CA 0.283 53.470 53.050 0.228 0.000 0.956 105 N CB -0.020 38.602 38.487 0.226 0.000 1.296 105 N HN -0.015 nan 8.380 nan 0.000 0.512 106 S N -0.983 114.789 115.700 0.120 0.000 2.558 106 S HA 0.304 4.774 4.470 -0.001 0.000 0.288 106 S C 1.445 176.025 174.600 -0.034 0.000 1.318 106 S CA 0.698 58.881 58.200 -0.029 0.000 1.056 106 S CB 0.507 63.643 63.200 -0.107 0.000 0.853 106 S HN 0.656 nan 8.310 nan 0.000 0.505 107 G N 1.853 110.585 108.800 -0.113 0.000 2.253 107 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.251 107 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.251 107 G C 0.249 175.087 174.900 -0.103 0.000 0.998 107 G CA 0.426 45.312 45.100 -0.357 0.000 0.621 107 G HN 0.700 nan 8.290 nan 0.000 0.524 108 Y N -0.149 120.282 120.300 0.218 0.000 2.626 108 Y HA 0.481 5.030 4.550 -0.001 0.000 0.248 108 Y C 1.877 177.570 175.900 -0.345 0.000 1.147 108 Y CA -0.101 58.047 58.100 0.079 0.000 1.219 108 Y CB 1.006 39.516 38.460 0.085 0.000 1.279 108 Y HN 1.083 nan 8.280 nan 0.000 0.541 109 G N -0.972 107.694 108.800 -0.223 0.000 2.205 109 G HA2 0.044 4.004 3.960 -0.001 0.000 0.180 109 G HA3 0.044 4.004 3.960 -0.001 0.000 0.180 109 G C 1.015 175.886 174.900 -0.049 0.000 1.004 109 G CA 0.097 44.986 45.100 -0.351 0.000 0.670 109 G HN 0.885 nan 8.290 nan 0.000 0.496 110 G N 0.444 109.268 108.800 0.040 0.000 2.634 110 G HA2 0.097 4.056 3.960 -0.001 0.000 0.309 110 G HA3 0.097 4.056 3.960 -0.001 0.000 0.309 110 G C 1.368 176.337 174.900 0.116 0.000 1.265 110 G CA 2.458 47.603 45.100 0.075 0.000 0.998 110 G HN 1.950 nan 8.290 nan 0.000 0.551 111 A N 0.383 123.278 122.820 0.125 0.000 2.275 111 A HA 0.720 5.039 4.320 -0.001 0.000 0.212 111 A C 1.582 179.253 177.584 0.145 0.000 1.201 111 A CA 1.565 53.727 52.037 0.209 0.000 0.843 111 A CB -0.661 18.489 19.000 0.250 0.000 0.873 111 A HN 2.385 nan 8.150 nan 0.000 0.492 112 A N 1.759 124.582 122.820 0.004 0.000 2.531 112 A HA 0.466 4.786 4.320 -0.001 0.000 0.236 112 A C -2.258 174.926 177.584 -0.666 0.000 1.062 112 A CA -0.733 51.221 52.037 -0.138 0.000 0.760 112 A CB -0.218 18.766 19.000 -0.027 0.000 0.995 112 A HN 0.312 nan 8.150 nan 0.000 0.501 113 P HA 0.244 nan 4.420 nan 0.000 0.282 113 P C 0.274 176.991 177.300 -0.972 0.000 1.249 113 P CA -0.449 61.818 63.100 -1.389 0.000 0.806 113 P CB 1.139 32.578 31.700 -0.434 0.000 0.984 114 R N 2.542 122.288 120.500 -1.256 0.000 2.115 114 R HA 0.023 4.363 4.340 -0.001 0.000 0.230 114 R C 0.042 176.371 176.300 0.048 0.000 1.111 114 R CA 1.385 57.190 56.100 -0.492 0.000 0.976 114 R CB -0.834 29.241 30.300 -0.375 0.000 0.870 114 R HN 0.316 nan 8.270 nan 0.000 0.445 115 V N 1.727 121.623 119.914 -0.031 0.000 2.347 115 V HA 0.290 4.410 4.120 -0.001 0.000 0.280 115 V C -0.309 175.858 176.094 0.121 0.000 1.021 115 V CA -0.687 61.677 62.300 0.107 0.000 0.847 115 V CB 1.393 33.192 31.823 -0.039 0.000 0.990 115 V HN 0.216 nan 8.190 nan 0.000 0.444 116 S N 3.553 119.355 115.700 0.171 0.000 2.549 116 S HA 0.429 4.899 4.470 -0.001 0.000 0.286 116 S C 1.268 175.942 174.600 0.123 0.000 1.314 116 S CA 0.792 59.052 58.200 0.100 0.000 1.062 116 S CB 0.786 63.989 63.200 0.004 0.000 0.865 116 S HN 1.440 nan 8.310 nan 0.000 0.498 117 G N 2.302 111.172 108.800 0.117 0.000 2.218 117 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.216 117 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.216 117 G C 0.184 175.239 174.900 0.259 0.000 0.994 117 G CA -0.063 45.117 45.100 0.133 0.000 0.637 117 G HN 0.711 nan 8.290 nan 0.000 0.505 118 S N -0.136 115.720 115.700 0.260 0.000 2.593 118 S HA 0.471 4.941 4.470 -0.001 0.000 0.269 118 S C 0.662 175.478 174.600 0.360 0.000 1.334 118 S CA -0.212 58.210 58.200 0.370 0.000 1.015 118 S CB 2.099 65.465 63.200 0.275 0.000 0.912 118 S HN 0.674 nan 8.310 nan 0.000 0.541 119 V N 3.385 123.471 119.914 0.288 0.000 2.397 119 V HA 0.072 4.192 4.120 -0.001 0.000 0.262 119 V C 0.145 176.325 176.094 0.144 0.000 1.047 119 V CA -0.343 62.013 62.300 0.093 0.000 1.003 119 V CB 0.479 32.186 31.823 -0.194 0.000 1.037 119 V HN 0.659 nan 8.190 nan 0.000 0.480 120 V N 7.308 127.324 119.914 0.171 0.000 2.493 120 V HA 0.003 4.122 4.120 -0.001 0.000 0.292 120 V C 0.301 176.442 176.094 0.077 0.000 1.016 120 V CA 0.041 62.456 62.300 0.192 0.000 1.097 120 V CB 0.937 32.879 31.823 0.197 0.000 0.947 120 V HN 0.587 nan 8.190 nan 0.000 0.479 121 L N 5.663 126.913 121.223 0.046 0.000 2.302 121 L HA 0.351 4.690 4.340 -0.001 0.000 0.285 121 L C 0.376 177.198 176.870 -0.081 0.000 1.090 121 L CA 0.068 54.887 54.840 -0.035 0.000 0.866 121 L CB 0.716 42.742 42.059 -0.055 0.000 1.244 121 L HN 0.608 nan 8.230 nan 0.000 0.435 122 D N 4.335 124.665 120.400 -0.116 0.000 2.455 122 D HA -0.006 4.633 4.640 -0.001 0.000 0.234 122 D C 1.169 177.386 176.300 -0.137 0.000 1.224 122 D CA -0.041 53.842 54.000 -0.196 0.000 0.999 122 D CB 0.584 41.206 40.800 -0.296 0.000 1.072 122 D HN 0.382 nan 8.370 nan 0.000 0.514 123 M N 1.775 121.304 119.600 -0.119 0.000 2.132 123 M HA 0.004 4.484 4.480 -0.001 0.000 0.263 123 M C 2.039 178.290 176.300 -0.080 0.000 1.065 123 M CA 0.948 56.191 55.300 -0.094 0.000 1.122 123 M CB -1.062 31.480 32.600 -0.096 0.000 1.365 123 M HN 0.426 nan 8.290 nan 0.000 0.411 124 G N -0.332 108.418 108.800 -0.083 0.000 2.534 124 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.217 124 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.217 124 G C 1.671 176.548 174.900 -0.039 0.000 1.128 124 G CA 0.826 45.892 45.100 -0.058 0.000 0.784 124 G HN 0.482 nan 8.290 nan 0.000 0.542 125 K N 0.704 121.076 120.400 -0.047 0.000 2.009 125 K HA -0.110 4.210 4.320 -0.001 0.000 0.210 125 K C 1.950 178.541 176.600 -0.016 0.000 1.049 125 K CA 1.806 58.083 56.287 -0.018 0.000 0.929 125 K CB -0.066 32.423 32.500 -0.018 0.000 0.714 125 K HN 0.235 nan 8.250 nan 0.000 0.440 126 N N -0.658 118.026 118.700 -0.027 0.000 2.463 126 N HA 0.068 4.807 4.740 -0.001 0.000 0.183 126 N C -0.081 175.415 175.510 -0.023 0.000 1.064 126 N CA 0.310 53.347 53.050 -0.022 0.000 0.879 126 N CB 0.366 38.838 38.487 -0.024 0.000 1.148 126 N HN 0.157 nan 8.380 nan 0.000 0.451 127 M N 1.163 120.744 119.600 -0.031 0.000 2.201 127 M HA 0.163 4.642 4.480 -0.001 0.000 0.345 127 M C 0.545 176.826 176.300 -0.033 0.000 1.352 127 M CA 0.265 55.546 55.300 -0.031 0.000 1.218 127 M CB 0.359 32.935 32.600 -0.039 0.000 1.512 127 M HN 0.109 nan 8.290 nan 0.000 0.447 128 N N 0.790 119.475 118.700 -0.026 0.000 2.028 128 N HA 0.166 4.906 4.740 -0.001 0.000 0.230 128 N C -0.291 175.206 175.510 -0.022 0.000 1.354 128 N CA -0.197 52.841 53.050 -0.021 0.000 0.855 128 N CB 0.982 39.464 38.487 -0.008 0.000 1.111 128 N HN 0.465 nan 8.380 nan 0.000 0.480 129 R N 1.289 121.774 120.500 -0.025 0.000 2.390 129 R HA 0.293 4.632 4.340 -0.001 0.000 0.291 129 R C -0.453 175.803 176.300 -0.075 0.000 1.070 129 R CA -0.331 55.753 56.100 -0.026 0.000 1.014 129 R CB 1.852 32.146 30.300 -0.009 0.000 1.007 129 R HN -0.123 nan 8.270 nan 0.000 0.466 130 V N 6.286 126.128 119.914 -0.120 0.000 2.381 130 V HA -0.029 4.091 4.120 -0.001 0.000 0.257 130 V C 1.436 177.400 176.094 -0.217 0.000 1.057 130 V CA 0.399 62.537 62.300 -0.270 0.000 1.013 130 V CB 0.192 31.652 31.823 -0.605 0.000 1.069 130 V HN 0.757 nan 8.190 nan 0.000 0.484 131 L N 2.938 124.068 121.223 -0.156 0.000 2.131 131 L HA 0.215 4.555 4.340 -0.001 0.000 0.206 131 L C 1.105 177.924 176.870 -0.085 0.000 1.087 131 L CA 1.171 55.965 54.840 -0.077 0.000 0.767 131 L CB 0.107 42.148 42.059 -0.030 0.000 0.917 131 L HN 0.588 nan 8.230 nan 0.000 0.441 132 E N -0.619 119.485 120.200 -0.160 0.000 2.352 132 E HA 0.408 4.758 4.350 -0.001 0.000 0.280 132 E C -1.749 174.720 176.600 -0.217 0.000 0.930 132 E CA -0.290 56.027 56.400 -0.140 0.000 0.765 132 E CB 3.367 33.010 29.700 -0.096 0.000 1.219 132 E HN -0.308 nan 8.360 nan 0.000 0.434 133 V N 4.057 123.861 119.914 -0.183 0.000 2.447 133 V HA 0.291 4.411 4.120 -0.001 0.000 0.292 133 V C -0.388 175.566 176.094 -0.234 0.000 1.021 133 V CA -0.878 61.301 62.300 -0.200 0.000 0.850 133 V CB 1.669 33.451 31.823 -0.069 0.000 1.005 133 V HN 0.506 nan 8.190 nan 0.000 0.426 134 N N 4.140 122.550 118.700 -0.484 0.000 2.424 134 N HA 0.306 5.046 4.740 -0.001 0.000 0.271 134 N C 0.588 175.873 175.510 -0.375 0.000 0.985 134 N CA -0.257 52.489 53.050 -0.507 0.000 0.921 134 N CB 2.322 40.230 38.487 -0.966 0.000 1.149 134 N HN 0.305 nan 8.380 nan 0.000 0.492 135 V N 4.428 124.227 119.914 -0.192 0.000 2.283 135 V HA -0.218 3.902 4.120 -0.001 0.000 0.243 135 V C 2.106 178.140 176.094 -0.101 0.000 1.039 135 V CA 2.016 64.243 62.300 -0.122 0.000 1.016 135 V CB -0.552 31.228 31.823 -0.071 0.000 0.650 135 V HN 0.784 nan 8.190 nan 0.000 0.449 136 E N 1.257 121.411 120.200 -0.078 0.000 2.150 136 E HA -0.097 4.253 4.350 -0.001 0.000 0.193 136 E C 2.143 178.729 176.600 -0.022 0.000 0.985 136 E CA 1.385 57.759 56.400 -0.043 0.000 0.814 136 E CB -0.623 29.064 29.700 -0.022 0.000 0.752 136 E HN 0.519 nan 8.360 nan 0.000 0.466 137 G N 0.997 109.791 108.800 -0.009 0.000 2.551 137 G HA2 0.147 4.107 3.960 -0.001 0.000 0.216 137 G HA3 0.147 4.107 3.960 -0.001 0.000 0.216 137 G C 0.808 175.775 174.900 0.113 0.000 1.137 137 G CA 0.061 45.237 45.100 0.126 0.000 0.798 137 G HN 0.600 nan 8.290 nan 0.000 0.536 138 A N -1.455 121.346 122.820 -0.031 0.000 2.475 138 A HA 0.036 4.356 4.320 -0.001 0.000 0.295 138 A C 0.060 177.734 177.584 0.150 0.000 1.457 138 A CA 1.254 53.287 52.037 -0.007 0.000 0.734 138 A CB -2.553 16.442 19.000 -0.009 0.000 1.118 138 A HN 1.902 nan 8.150 nan 0.000 0.400 139 Y N -2.805 117.533 120.300 0.064 0.000 2.670 139 Y HA 0.737 5.287 4.550 -0.001 0.000 0.334 139 Y C -0.065 175.829 175.900 -0.012 0.000 1.185 139 Y CA -1.605 56.563 58.100 0.113 0.000 1.053 139 Y CB 0.181 38.777 38.460 0.228 0.000 1.298 139 Y HN 1.257 nan 8.280 nan 0.000 0.459 140 C N 0.351 119.765 119.300 0.189 0.000 2.707 140 C HA 0.952 5.411 4.460 -0.001 0.000 0.313 140 C C -0.870 174.082 174.990 -0.063 0.000 1.209 140 C CA -1.038 57.974 59.018 -0.011 0.000 1.635 140 C CB 1.054 28.732 27.740 -0.103 0.000 2.206 140 C HN 0.839 nan 8.230 nan 0.000 0.485 141 V N 1.821 121.607 119.914 -0.214 0.000 2.513 141 V HA 0.815 4.935 4.120 -0.001 0.000 0.299 141 V C -0.142 175.811 176.094 -0.235 0.000 1.035 141 V CA -0.322 61.764 62.300 -0.356 0.000 0.889 141 V CB 1.404 32.901 31.823 -0.543 0.000 0.988 141 V HN 0.932 nan 8.190 nan 0.000 0.440 142 V N 3.387 123.185 119.914 -0.195 0.000 3.049 142 V HA 0.510 4.630 4.120 -0.001 0.000 0.309 142 V C -0.446 175.585 176.094 -0.104 0.000 1.148 142 V CA -0.485 61.723 62.300 -0.153 0.000 0.990 142 V CB 2.589 34.313 31.823 -0.165 0.000 1.039 142 V HN 1.005 nan 8.190 nan 0.000 0.430 143 E N 4.419 124.567 120.200 -0.087 0.000 2.239 143 E HA 0.364 4.714 4.350 -0.001 0.000 0.261 143 E C -1.900 174.653 176.600 -0.079 0.000 1.016 143 E CA -1.662 54.700 56.400 -0.063 0.000 0.882 143 E CB 1.581 31.255 29.700 -0.044 0.000 1.190 143 E HN 0.428 nan 8.360 nan 0.000 0.415 144 P HA -0.132 nan 4.420 nan 0.000 0.216 144 P C 1.154 178.408 177.300 -0.077 0.000 1.150 144 P CA 1.234 64.285 63.100 -0.080 0.000 0.837 144 P CB 0.057 31.710 31.700 -0.077 0.000 0.786 145 G N -0.542 108.221 108.800 -0.062 0.000 2.509 145 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.218 145 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.218 145 G C 0.388 175.261 174.900 -0.046 0.000 1.124 145 G CA 0.062 45.135 45.100 -0.046 0.000 0.776 145 G HN 0.188 nan 8.290 nan 0.000 0.547 146 V N 2.800 122.672 119.914 -0.070 0.000 2.421 146 V HA 0.214 4.334 4.120 -0.001 0.000 0.271 146 V C 1.124 177.151 176.094 -0.111 0.000 1.031 146 V CA -0.037 62.217 62.300 -0.076 0.000 1.032 146 V CB -0.161 31.598 31.823 -0.107 0.000 1.009 146 V HN 0.399 nan 8.190 nan 0.000 0.477 147 T N 2.050 116.577 114.554 -0.046 0.000 2.788 147 T HA 0.222 4.571 4.350 -0.001 0.000 0.287 147 T C 0.941 175.617 174.700 -0.039 0.000 1.007 147 T CA -0.122 61.956 62.100 -0.036 0.000 1.005 147 T CB 0.510 69.447 68.868 0.116 0.000 1.012 147 T HN 0.393 nan 8.240 nan 0.000 0.530 148 Y N -0.543 119.816 120.300 0.098 0.000 2.181 148 Y HA -0.071 4.479 4.550 -0.001 0.000 0.288 148 Y C 2.826 178.811 175.900 0.142 0.000 1.146 148 Y CA 1.946 60.092 58.100 0.076 0.000 1.164 148 Y CB -0.884 37.594 38.460 0.029 0.000 0.982 148 Y HN 0.911 nan 8.280 nan 0.000 0.515 149 H N -0.431 118.793 119.070 0.258 0.000 2.357 149 H HA -0.163 4.392 4.556 -0.001 0.000 0.301 149 H C 1.776 177.234 175.328 0.217 0.000 1.082 149 H CA 1.104 57.297 56.048 0.241 0.000 1.342 149 H CB 0.119 30.051 29.762 0.283 0.000 1.389 149 H HN 0.218 nan 8.280 nan 0.000 0.511 150 D N 0.379 120.961 120.400 0.303 0.000 2.116 150 D HA -0.173 4.467 4.640 -0.001 0.000 0.193 150 D C 2.151 178.570 176.300 0.199 0.000 0.998 150 D CA 0.956 55.068 54.000 0.186 0.000 0.836 150 D CB -0.234 40.624 40.800 0.097 0.000 0.951 150 D HN 0.297 nan 8.370 nan 0.000 0.449 151 L N 0.239 121.568 121.223 0.176 0.000 2.131 151 L HA -0.082 4.258 4.340 -0.001 0.000 0.206 151 L C 2.230 179.235 176.870 0.224 0.000 1.087 151 L CA 1.564 56.491 54.840 0.146 0.000 0.767 151 L CB -0.676 41.420 42.059 0.062 0.000 0.917 151 L HN 0.150 nan 8.230 nan 0.000 0.441 152 H N -0.242 118.921 119.070 0.155 0.000 2.289 152 H HA -0.191 4.365 4.556 -0.001 0.000 0.296 152 H C 1.618 177.036 175.328 0.150 0.000 1.091 152 H CA 2.059 58.181 56.048 0.123 0.000 1.274 152 H CB 0.165 29.968 29.762 0.067 0.000 1.364 152 H HN 0.392 nan 8.280 nan 0.000 0.490 153 N N 0.189 119.008 118.700 0.197 0.000 2.289 153 N HA -0.162 4.577 4.740 -0.001 0.000 0.184 153 N C 1.823 177.361 175.510 0.047 0.000 1.016 153 N CA 0.817 53.922 53.050 0.091 0.000 0.872 153 N CB -0.662 37.922 38.487 0.162 0.000 0.973 153 N HN 0.482 nan 8.380 nan 0.000 0.433 154 Y N 1.481 121.781 120.300 -0.000 0.000 2.200 154 Y HA -0.037 4.513 4.550 -0.001 0.000 0.290 154 Y C 2.128 178.001 175.900 -0.045 0.000 1.137 154 Y CA 1.256 59.346 58.100 -0.017 0.000 1.163 154 Y CB -0.233 38.224 38.460 -0.004 0.000 0.988 154 Y HN -0.035 nan 8.280 nan 0.000 0.518 155 L N -0.480 120.827 121.223 0.141 0.000 2.109 155 L HA -0.126 4.214 4.340 -0.001 0.000 0.207 155 L C 2.443 179.266 176.870 -0.078 0.000 1.086 155 L CA 1.050 55.926 54.840 0.060 0.000 0.760 155 L CB -0.496 41.596 42.059 0.056 0.000 0.910 155 L HN 0.181 nan 8.230 nan 0.000 0.437 156 E N 0.641 120.739 120.200 -0.169 0.000 2.051 156 E HA -0.184 4.165 4.350 -0.001 0.000 0.192 156 E C 2.223 178.748 176.600 -0.125 0.000 0.991 156 E CA 1.398 57.696 56.400 -0.171 0.000 0.799 156 E CB -0.131 29.431 29.700 -0.230 0.000 0.748 156 E HN 0.409 nan 8.360 nan 0.000 0.449 157 A N 0.779 123.513 122.820 -0.144 0.000 2.178 157 A HA -0.138 4.182 4.320 -0.001 0.000 0.218 157 A C 1.325 178.798 177.584 -0.186 0.000 1.157 157 A CA 1.223 53.166 52.037 -0.155 0.000 0.689 157 A CB -0.451 18.444 19.000 -0.176 0.000 0.787 157 A HN 0.200 nan 8.150 nan 0.000 0.465 158 N N -0.523 118.061 118.700 -0.193 0.000 2.238 158 N HA 0.079 4.818 4.740 -0.001 0.000 0.235 158 N C -0.309 175.150 175.510 -0.085 0.000 1.209 158 N CA -0.118 52.836 53.050 -0.160 0.000 0.879 158 N CB 0.418 38.771 38.487 -0.223 0.000 1.136 158 N HN 0.266 nan 8.380 nan 0.000 0.517 159 N N 0.255 118.914 118.700 -0.069 0.000 2.713 159 N HA -0.205 4.535 4.740 -0.001 0.000 0.251 159 N C 0.460 175.962 175.510 -0.014 0.000 1.117 159 N CA 0.598 53.625 53.050 -0.037 0.000 0.770 159 N CB -1.257 37.212 38.487 -0.029 0.000 1.137 159 N HN 0.410 nan 8.380 nan 0.000 0.566 160 L N 0.417 121.634 121.223 -0.010 0.000 2.376 160 L HA -0.006 4.333 4.340 -0.001 0.000 0.219 160 L C 2.523 179.426 176.870 0.056 0.000 1.133 160 L CA 0.611 55.464 54.840 0.021 0.000 0.816 160 L CB -0.215 41.869 42.059 0.042 0.000 0.933 160 L HN 0.211 nan 8.230 nan 0.000 0.449 161 R N 0.508 121.039 120.500 0.052 0.000 2.241 161 R HA -0.190 4.149 4.340 -0.001 0.000 0.224 161 R C 0.797 177.216 176.300 0.198 0.000 1.101 161 R CA 1.484 57.652 56.100 0.113 0.000 0.995 161 R CB -0.200 30.109 30.300 0.016 0.000 0.870 161 R HN 0.313 nan 8.270 nan 0.000 0.463 162 D N 0.095 120.564 120.400 0.114 0.000 2.323 162 D HA 0.006 4.646 4.640 -0.001 0.000 0.209 162 D C 1.135 177.465 176.300 0.050 0.000 0.973 162 D CA 0.866 54.927 54.000 0.101 0.000 0.874 162 D CB 0.372 41.203 40.800 0.051 0.000 0.930 162 D HN 0.236 nan 8.370 nan 0.000 0.521 163 K N -1.041 119.380 120.400 0.036 0.000 2.329 163 K HA 0.319 4.639 4.320 -0.001 0.000 0.198 163 K C 0.136 176.708 176.600 -0.046 0.000 1.085 163 K CA 0.357 56.631 56.287 -0.021 0.000 0.961 163 K CB 1.235 33.723 32.500 -0.020 0.000 0.971 163 K HN -0.066 nan 8.250 nan 0.000 0.502 164 L N 0.869 122.114 121.223 0.036 0.000 2.436 164 L HA 0.419 4.758 4.340 -0.001 0.000 0.268 164 L C -1.376 175.652 176.870 0.263 0.000 0.974 164 L CA -0.932 53.938 54.840 0.050 0.000 0.826 164 L CB 1.561 43.638 42.059 0.030 0.000 1.291 164 L HN -0.010 nan 8.230 nan 0.000 0.406 165 W N 2.959 124.203 121.300 -0.093 0.000 2.516 165 W HA 0.637 5.297 4.660 -0.001 0.000 0.343 165 W C -0.038 176.436 176.519 -0.076 0.000 1.094 165 W CA -0.847 56.450 57.345 -0.081 0.000 1.250 165 W CB 0.990 30.381 29.460 -0.113 0.000 1.308 165 W HN 0.226 nan 8.180 nan 0.000 0.588 166 L N 1.651 122.974 121.223 0.168 0.000 2.448 166 L HA 0.399 4.739 4.340 -0.001 0.000 0.258 166 L C 0.016 176.944 176.870 0.097 0.000 1.104 166 L CA -0.590 54.322 54.840 0.119 0.000 0.800 166 L CB 0.871 43.005 42.059 0.125 0.000 1.241 166 L HN 0.245 nan 8.230 nan 0.000 0.472 167 D N 0.678 121.148 120.400 0.116 0.000 2.549 167 D HA 0.439 5.078 4.640 -0.001 0.000 0.251 167 D C -1.322 174.993 176.300 0.026 0.000 1.153 167 D CA -0.200 53.873 54.000 0.121 0.000 0.861 167 D CB 2.046 42.998 40.800 0.253 0.000 1.207 167 D HN 0.220 nan 8.370 nan 0.000 0.543 168 V N 1.760 121.613 119.914 -0.103 0.000 2.628 168 V HA 0.673 4.793 4.120 -0.001 0.000 0.306 168 V C -2.512 173.430 176.094 -0.254 0.000 1.045 168 V CA -1.976 60.076 62.300 -0.415 0.000 0.905 168 V CB 1.448 33.062 31.823 -0.348 0.000 0.997 168 V HN 0.349 nan 8.190 nan 0.000 0.436 169 P HA 0.253 nan 4.420 nan 0.000 0.306 169 P C 0.245 177.593 177.300 0.080 0.000 1.301 169 P CA -0.096 62.964 63.100 -0.067 0.000 0.744 169 P CB 0.545 32.225 31.700 -0.033 0.000 1.400 170 D N -1.379 119.118 120.400 0.162 0.000 2.178 170 D HA -0.011 4.629 4.640 -0.001 0.000 0.202 170 D C 0.716 176.968 176.300 -0.080 0.000 0.974 170 D CA 1.300 55.327 54.000 0.044 0.000 0.841 170 D CB -0.175 40.670 40.800 0.075 0.000 0.953 170 D HN 0.200 nan 8.370 nan 0.000 0.478 171 L N -1.758 119.416 121.223 -0.082 0.000 2.303 171 L HA 0.585 4.925 4.340 -0.001 0.000 0.266 171 L C 1.492 178.259 176.870 -0.170 0.000 1.011 171 L CA -0.876 53.846 54.840 -0.197 0.000 0.818 171 L CB 1.907 43.896 42.059 -0.117 0.000 1.326 171 L HN -0.281 nan 8.230 nan 0.000 0.435 172 G N -0.713 107.878 108.800 -0.348 0.000 3.126 172 G HA2 0.151 4.110 3.960 -0.001 0.000 0.224 172 G HA3 0.151 4.110 3.960 -0.001 0.000 0.224 172 G C 1.028 176.129 174.900 0.336 0.000 1.142 172 G CA 0.487 45.536 45.100 -0.086 0.000 0.759 172 G HN 0.844 nan 8.290 nan 0.000 0.550 173 G N 0.450 109.542 108.800 0.487 0.000 2.623 173 G HA2 0.330 4.289 3.960 -0.001 0.000 0.214 173 G HA3 0.330 4.289 3.960 -0.001 0.000 0.214 173 G C 0.947 176.019 174.900 0.286 0.000 1.138 173 G CA 0.480 45.849 45.100 0.449 0.000 0.794 173 G HN 0.548 nan 8.290 nan 0.000 0.535 174 G N 0.066 109.102 108.800 0.393 0.000 2.569 174 G HA2 0.355 4.314 3.960 -0.001 0.000 0.249 174 G HA3 0.355 4.314 3.960 -0.001 0.000 0.249 174 G C 0.131 175.058 174.900 0.046 0.000 1.216 174 G CA 0.178 45.459 45.100 0.301 0.000 0.845 174 G HN 0.233 nan 8.290 nan 0.000 0.568 175 S N 0.411 116.081 115.700 -0.050 0.000 2.481 175 S HA 0.107 4.576 4.470 -0.001 0.000 0.276 175 S C 1.669 176.018 174.600 -0.417 0.000 1.247 175 S CA -0.682 57.392 58.200 -0.209 0.000 1.053 175 S CB 0.875 64.015 63.200 -0.101 0.000 0.925 175 S HN 0.417 nan 8.310 nan 0.000 0.491 176 V N 6.168 125.660 119.914 -0.703 0.000 2.278 176 V HA -0.213 3.907 4.120 -0.001 0.000 0.251 176 V C 2.365 178.292 176.094 -0.278 0.000 1.062 176 V CA 2.343 64.218 62.300 -0.708 0.000 1.038 176 V CB -1.107 30.413 31.823 -0.506 0.000 0.646 176 V HN 0.914 nan 8.190 nan 0.000 0.447 177 L N 1.696 122.803 121.223 -0.193 0.000 2.044 177 L HA 0.139 4.479 4.340 -0.001 0.000 0.205 177 L C 2.334 179.176 176.870 -0.046 0.000 1.075 177 L CA 2.543 57.325 54.840 -0.097 0.000 0.747 177 L CB -1.811 40.191 42.059 -0.096 0.000 0.903 177 L HN 0.188 nan 8.230 nan 0.000 0.435 178 G N 0.185 108.949 108.800 -0.060 0.000 2.440 178 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.218 178 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.218 178 G C 1.606 176.520 174.900 0.024 0.000 1.154 178 G CA 0.839 45.920 45.100 -0.030 0.000 0.767 178 G HN 0.596 nan 8.290 nan 0.000 0.552 179 N N 1.463 120.208 118.700 0.074 0.000 2.188 179 N HA -0.067 4.673 4.740 -0.001 0.000 0.184 179 N C 2.485 178.119 175.510 0.207 0.000 1.018 179 N CA 1.429 54.589 53.050 0.183 0.000 0.858 179 N CB -0.265 38.424 38.487 0.337 0.000 0.989 179 N HN 0.241 nan 8.380 nan 0.000 0.426 180 A N 1.058 123.990 122.820 0.187 0.000 1.898 180 A HA -0.077 4.242 4.320 -0.001 0.000 0.216 180 A C 2.445 180.212 177.584 0.305 0.000 1.181 180 A CA 1.842 54.046 52.037 0.279 0.000 0.620 180 A CB -0.948 18.170 19.000 0.196 0.000 0.819 180 A HN 0.298 nan 8.150 nan 0.000 0.442 181 V N -2.706 117.299 119.914 0.151 0.000 2.759 181 V HA -0.074 4.046 4.120 -0.001 0.000 0.256 181 V C 1.457 177.454 176.094 -0.162 0.000 1.080 181 V CA 2.013 64.296 62.300 -0.029 0.000 1.101 181 V CB -0.656 31.137 31.823 -0.050 0.000 0.698 181 V HN 0.434 nan 8.190 nan 0.000 0.477 182 E N 0.548 120.709 120.200 -0.066 0.000 2.494 182 E HA 0.113 4.462 4.350 -0.001 0.000 0.193 182 E C 0.645 177.204 176.600 -0.069 0.000 1.074 182 E CA -0.019 56.316 56.400 -0.109 0.000 0.867 182 E CB -0.118 29.545 29.700 -0.062 0.000 0.924 182 E HN 0.669 nan 8.360 nan 0.000 0.502 183 R N -0.647 119.852 120.500 -0.002 0.000 3.641 183 R HA -0.160 4.180 4.340 -0.001 0.000 0.286 183 R C 0.730 177.173 176.300 0.239 0.000 1.153 183 R CA 0.483 56.648 56.100 0.109 0.000 0.775 183 R CB -2.272 28.022 30.300 -0.011 0.000 1.215 183 R HN 0.170 nan 8.270 nan 0.000 0.474 184 G N -0.097 108.837 108.800 0.223 0.000 2.651 184 G HA2 0.432 4.392 3.960 -0.001 0.000 0.260 184 G HA3 0.432 4.392 3.960 -0.001 0.000 0.260 184 G C -0.061 174.784 174.900 -0.092 0.000 1.216 184 G CA -0.403 44.807 45.100 0.184 0.000 0.913 184 G HN 0.031 nan 8.290 nan 0.000 0.535 185 V N -0.292 119.441 119.914 -0.301 0.000 2.680 185 V HA 0.816 4.935 4.120 -0.001 0.000 0.309 185 V C 0.769 176.289 176.094 -0.956 0.000 1.052 185 V CA 0.154 62.054 62.300 -0.665 0.000 0.908 185 V CB 1.588 33.039 31.823 -0.620 0.000 1.001 185 V HN 1.147 nan 8.190 nan 0.000 0.431 186 G N 1.516 109.620 108.800 -1.160 0.000 3.176 186 G HA2 0.568 4.528 3.960 -0.001 0.000 0.272 186 G HA3 0.568 4.528 3.960 -0.001 0.000 0.272 186 G C -1.159 173.073 174.900 -1.114 0.000 1.349 186 G CA -0.236 44.184 45.100 -1.134 0.000 0.953 186 G HN 0.532 nan 8.290 nan 0.000 0.559 187 Y N -0.243 120.032 120.300 -0.042 0.000 2.641 187 Y HA 0.289 4.839 4.550 -0.001 0.000 0.248 187 Y C 1.641 177.589 175.900 0.081 0.000 1.170 187 Y CA -0.194 57.905 58.100 -0.002 0.000 1.201 187 Y CB 0.280 38.725 38.460 -0.026 0.000 1.232 187 Y HN 0.608 nan 8.280 nan 0.000 0.537 188 T N -3.328 111.308 114.554 0.137 0.000 2.888 188 T HA 0.289 4.639 4.350 -0.001 0.000 0.283 188 T C -1.926 172.785 174.700 0.017 0.000 1.013 188 T CA -2.178 59.970 62.100 0.081 0.000 0.938 188 T CB 1.364 70.270 68.868 0.063 0.000 1.298 188 T HN -0.284 nan 8.240 nan 0.000 0.580 189 P HA 0.037 nan 4.420 nan 0.000 0.231 189 P C 0.064 177.502 177.300 0.231 0.000 1.158 189 P CA 0.707 63.835 63.100 0.047 0.000 0.763 189 P CB -0.199 31.497 31.700 -0.008 0.000 0.805 190 Y N -1.215 119.073 120.300 -0.020 0.000 2.532 190 Y HA 0.338 4.888 4.550 -0.001 0.000 0.283 190 Y C 2.222 178.164 175.900 0.070 0.000 1.181 190 Y CA -0.625 57.510 58.100 0.058 0.000 1.256 190 Y CB -1.046 37.474 38.460 0.100 0.000 1.112 190 Y HN -0.056 nan 8.280 nan 0.000 0.521 191 G N -0.586 108.261 108.800 0.078 0.000 2.470 191 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.220 191 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.220 191 G C 0.668 175.427 174.900 -0.236 0.000 1.121 191 G CA 0.552 45.567 45.100 -0.141 0.000 0.766 191 G HN 0.215 nan 8.290 nan 0.000 0.553 192 D N -0.145 120.208 120.400 -0.078 0.000 2.508 192 D HA 0.124 4.764 4.640 -0.001 0.000 0.224 192 D C 1.224 177.581 176.300 0.096 0.000 1.171 192 D CA -0.330 53.647 54.000 -0.039 0.000 1.006 192 D CB -0.481 40.322 40.800 0.004 0.000 1.073 192 D HN 0.473 nan 8.370 nan 0.000 0.513 193 H N 1.516 120.618 119.070 0.053 0.000 2.321 193 H HA -0.191 4.365 4.556 -0.001 0.000 0.295 193 H C 1.762 177.163 175.328 0.121 0.000 1.102 193 H CA 1.144 57.248 56.048 0.095 0.000 1.266 193 H CB 0.176 30.017 29.762 0.132 0.000 1.363 193 H HN 0.576 nan 8.280 nan 0.000 0.492 194 W N 1.051 122.434 121.300 0.138 0.000 2.358 194 W HA -0.206 4.454 4.660 -0.001 0.000 0.303 194 W C 1.341 177.926 176.519 0.111 0.000 1.208 194 W CA 0.750 58.147 57.345 0.088 0.000 1.274 194 W CB -0.060 29.434 29.460 0.057 0.000 1.138 194 W HN 0.204 nan 8.180 nan 0.000 0.515 195 M N 0.425 120.019 119.600 -0.011 0.000 2.632 195 M HA -0.145 4.335 4.480 -0.001 0.000 0.256 195 M C 1.457 177.522 176.300 -0.392 0.000 1.080 195 M CA 1.126 56.327 55.300 -0.164 0.000 1.084 195 M CB -0.872 31.727 32.600 -0.002 0.000 1.439 195 M HN -0.029 nan 8.290 nan 0.000 0.509 196 M N -1.651 117.711 119.600 -0.398 0.000 2.371 196 M HA 0.108 4.587 4.480 -0.001 0.000 0.246 196 M C 0.396 176.080 176.300 -1.026 0.000 1.103 196 M CA 0.094 55.076 55.300 -0.530 0.000 1.010 196 M CB -1.277 31.265 32.600 -0.097 0.000 1.457 196 M HN 0.309 nan 8.290 nan 0.000 0.486 197 H N -0.523 117.960 119.070 -0.978 0.000 2.607 197 H HA 0.510 5.066 4.556 -0.001 0.000 0.367 197 H C -0.434 174.252 175.328 -1.071 0.000 1.181 197 H CA -0.341 55.147 56.048 -0.934 0.000 1.402 197 H CB 0.981 30.207 29.762 -0.893 0.000 1.474 197 H HN 0.019 nan 8.280 nan 0.000 0.596 198 S N 2.143 117.361 115.700 -0.803 0.000 2.561 198 S HA 0.458 4.927 4.470 -0.001 0.000 0.292 198 S C -0.579 173.885 174.600 -0.226 0.000 1.107 198 S CA -0.039 57.793 58.200 -0.615 0.000 0.969 198 S CB -0.205 62.664 63.200 -0.551 0.000 1.150 198 S HN 1.918 nan 8.310 nan 0.000 0.451 199 G N 4.712 113.457 108.800 -0.090 0.000 2.858 199 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.266 199 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.266 199 G C -0.595 174.379 174.900 0.123 0.000 1.023 199 G CA -0.118 44.977 45.100 -0.009 0.000 1.172 199 G HN 0.816 nan 8.290 nan 0.000 0.523 200 M N 0.895 120.643 119.600 0.246 0.000 2.300 200 M HA 0.432 4.912 4.480 -0.001 0.000 0.348 200 M C 0.325 176.782 176.300 0.263 0.000 1.151 200 M CA -0.523 54.891 55.300 0.189 0.000 1.046 200 M CB 1.790 34.426 32.600 0.060 0.000 1.647 200 M HN 0.522 nan 8.290 nan 0.000 0.451 201 E N 2.523 122.871 120.200 0.247 0.000 2.175 201 E HA 0.571 4.921 4.350 -0.001 0.000 0.278 201 E C -1.763 174.780 176.600 -0.095 0.000 0.969 201 E CA -0.600 55.849 56.400 0.082 0.000 0.796 201 E CB 1.448 31.232 29.700 0.141 0.000 1.104 201 E HN 0.452 nan 8.360 nan 0.000 0.395 202 V N 4.593 124.392 119.914 -0.191 0.000 2.686 202 V HA 0.248 4.367 4.120 -0.001 0.000 0.306 202 V C -0.511 175.460 176.094 -0.204 0.000 1.065 202 V CA -0.911 61.206 62.300 -0.305 0.000 0.894 202 V CB 2.039 33.462 31.823 -0.666 0.000 1.004 202 V HN 0.513 nan 8.190 nan 0.000 0.424 203 V N 6.058 125.875 119.914 -0.163 0.000 2.432 203 V HA 0.419 4.539 4.120 -0.001 0.000 0.275 203 V C 0.206 176.244 176.094 -0.095 0.000 1.043 203 V CA -0.258 61.976 62.300 -0.109 0.000 0.925 203 V CB 1.316 33.088 31.823 -0.085 0.000 0.985 203 V HN 0.617 nan 8.190 nan 0.000 0.466 204 L N 3.475 124.664 121.223 -0.057 0.000 2.454 204 L HA 0.460 4.799 4.340 -0.001 0.000 0.256 204 L C 1.782 178.646 176.870 -0.010 0.000 1.136 204 L CA -0.164 54.667 54.840 -0.015 0.000 0.804 204 L CB 0.561 42.626 42.059 0.011 0.000 1.181 204 L HN 0.700 nan 8.230 nan 0.000 0.469 205 A N 0.870 123.693 122.820 0.004 0.000 2.019 205 A HA -0.169 4.150 4.320 -0.001 0.000 0.219 205 A C 1.660 179.250 177.584 0.010 0.000 1.164 205 A CA 1.728 53.767 52.037 0.004 0.000 0.644 205 A CB -0.827 18.175 19.000 0.003 0.000 0.805 205 A HN 0.927 nan 8.150 nan 0.000 0.449 206 N N -1.354 117.350 118.700 0.007 0.000 2.521 206 N HA 0.233 4.972 4.740 -0.001 0.000 0.188 206 N C 1.066 176.577 175.510 0.001 0.000 1.146 206 N CA 1.447 54.502 53.050 0.007 0.000 0.893 206 N CB -0.216 38.275 38.487 0.005 0.000 0.975 206 N HN 0.730 nan 8.380 nan 0.000 0.451 207 G N -0.730 108.067 108.800 -0.006 0.000 2.232 207 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.226 207 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.226 207 G C -0.440 174.445 174.900 -0.026 0.000 0.996 207 G CA -0.021 45.070 45.100 -0.015 0.000 0.626 207 G HN 0.485 nan 8.290 nan 0.000 0.509 208 E N 0.559 120.745 120.200 -0.023 0.000 2.354 208 E HA 0.566 4.915 4.350 -0.001 0.000 0.269 208 E C 0.373 176.947 176.600 -0.044 0.000 1.036 208 E CA -0.463 55.919 56.400 -0.029 0.000 0.876 208 E CB 1.373 31.062 29.700 -0.018 0.000 1.009 208 E HN 0.334 nan 8.360 nan 0.000 0.416 209 L N 3.417 124.607 121.223 -0.056 0.000 2.397 209 L HA 0.361 4.701 4.340 -0.001 0.000 0.271 209 L C -0.355 176.470 176.870 -0.076 0.000 1.148 209 L CA -0.183 54.611 54.840 -0.077 0.000 0.825 209 L CB 0.468 42.475 42.059 -0.088 0.000 1.117 209 L HN 0.399 nan 8.230 nan 0.000 0.456 210 L N 3.722 124.889 121.223 -0.093 0.000 2.455 210 L HA 0.549 4.888 4.340 -0.001 0.000 0.264 210 L C -1.141 175.669 176.870 -0.101 0.000 0.968 210 L CA -0.539 54.255 54.840 -0.077 0.000 0.827 210 L CB 1.532 43.570 42.059 -0.035 0.000 1.317 210 L HN 0.549 nan 8.230 nan 0.000 0.407 211 R N 2.482 122.928 120.500 -0.090 0.000 2.445 211 R HA 0.485 4.825 4.340 -0.001 0.000 0.308 211 R C -0.425 175.909 176.300 0.056 0.000 0.961 211 R CA -0.597 55.474 56.100 -0.048 0.000 0.862 211 R CB 1.589 31.756 30.300 -0.222 0.000 1.144 211 R HN 0.739 nan 8.270 nan 0.000 0.447 212 T N -1.144 113.491 114.554 0.135 0.000 2.847 212 T HA 0.545 4.894 4.350 -0.001 0.000 0.279 212 T C 1.007 175.823 174.700 0.193 0.000 0.984 212 T CA 0.325 62.536 62.100 0.185 0.000 0.988 212 T CB 1.468 70.477 68.868 0.235 0.000 1.040 212 T HN 0.825 nan 8.240 nan 0.000 0.528 213 G N 1.378 110.303 108.800 0.209 0.000 2.574 213 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.286 213 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.286 213 G C 0.878 175.873 174.900 0.158 0.000 1.212 213 G CA 0.319 45.522 45.100 0.173 0.000 0.979 213 G HN 0.790 nan 8.290 nan 0.000 0.557 214 M N 2.011 121.693 119.600 0.137 0.000 2.619 214 M HA 0.049 4.528 4.480 -0.001 0.000 0.251 214 M C 2.707 179.085 176.300 0.129 0.000 1.106 214 M CA 1.583 56.972 55.300 0.148 0.000 1.086 214 M CB -1.097 31.601 32.600 0.163 0.000 1.465 214 M HN 0.791 nan 8.290 nan 0.000 0.506 215 G N 0.553 109.456 108.800 0.171 0.000 2.499 215 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.221 215 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.221 215 G C 1.518 176.427 174.900 0.015 0.000 1.109 215 G CA 1.094 46.312 45.100 0.196 0.000 0.749 215 G HN 0.556 nan 8.290 nan 0.000 0.568 216 A N -0.580 122.275 122.820 0.059 0.000 2.123 216 A HA 0.383 4.702 4.320 -0.001 0.000 0.214 216 A C 1.141 178.742 177.584 0.028 0.000 1.152 216 A CA -0.047 52.010 52.037 0.033 0.000 0.728 216 A CB 0.026 19.073 19.000 0.079 0.000 0.814 216 A HN 0.314 nan 8.150 nan 0.000 0.464 217 L N 2.635 123.888 121.223 0.049 0.000 2.325 217 L HA 0.279 4.618 4.340 -0.001 0.000 0.284 217 L C -2.472 174.406 176.870 0.014 0.000 1.089 217 L CA -1.814 53.049 54.840 0.037 0.000 0.836 217 L CB 0.684 42.780 42.059 0.061 0.000 1.184 217 L HN 0.060 nan 8.230 nan 0.000 0.444 218 P HA 0.034 nan 4.420 nan 0.000 0.268 218 P C -0.731 176.567 177.300 -0.003 0.000 1.205 218 P CA -0.322 62.763 63.100 -0.026 0.000 0.771 218 P CB 0.783 32.466 31.700 -0.029 0.000 0.858 219 D N 3.614 124.013 120.400 -0.001 0.000 2.417 219 D HA 0.153 4.793 4.640 -0.001 0.000 0.250 219 D C -1.865 174.441 176.300 0.010 0.000 1.166 219 D CA -1.272 52.742 54.000 0.025 0.000 0.881 219 D CB -0.400 40.428 40.800 0.045 0.000 1.164 219 D HN 0.173 nan 8.370 nan 0.000 0.467 220 P HA 0.009 nan 4.420 nan 0.000 0.267 220 P C -0.482 176.821 177.300 0.006 0.000 1.201 220 P CA -0.030 63.075 63.100 0.007 0.000 0.775 220 P CB 0.374 32.081 31.700 0.011 0.000 0.854 221 K N 3.023 123.424 120.400 0.000 0.000 2.489 221 K HA 0.110 4.430 4.320 -0.001 0.000 0.278 221 K C 0.678 177.281 176.600 0.004 0.000 1.000 221 K CA 0.486 56.773 56.287 -0.000 0.000 1.012 221 K CB 0.291 32.788 32.500 -0.004 0.000 0.903 221 K HN 0.629 nan 8.250 nan 0.000 0.485 222 R N 1.488 121.992 120.500 0.005 0.000 2.710 222 R HA 0.271 4.610 4.340 -0.001 0.000 0.270 222 R C -2.654 173.650 176.300 0.006 0.000 1.021 222 R CA -1.600 54.505 56.100 0.007 0.000 0.889 222 R CB 0.801 31.108 30.300 0.013 0.000 1.243 222 R HN 0.107 nan 8.270 nan 0.000 0.464 223 P HA -0.144 nan 4.420 nan 0.000 0.218 223 P C 0.285 177.588 177.300 0.006 0.000 1.148 223 P CA 1.227 64.330 63.100 0.005 0.000 0.822 223 P CB 0.223 31.926 31.700 0.005 0.000 0.784 224 E N -1.125 119.080 120.200 0.010 0.000 2.204 224 E HA -0.098 4.251 4.350 -0.001 0.000 0.194 224 E C 1.608 178.215 176.600 0.012 0.000 0.989 224 E CA 1.673 58.081 56.400 0.012 0.000 0.824 224 E CB -1.042 28.669 29.700 0.017 0.000 0.756 224 E HN 0.395 nan 8.360 nan 0.000 0.477 225 T N -2.359 112.201 114.554 0.010 0.000 3.092 225 T HA 0.224 4.573 4.350 -0.001 0.000 0.258 225 T C 0.529 175.228 174.700 -0.001 0.000 1.031 225 T CA -0.411 61.693 62.100 0.007 0.000 0.925 225 T CB 0.067 68.941 68.868 0.010 0.000 1.036 225 T HN -0.163 nan 8.240 nan 0.000 0.544 226 M N 2.155 121.755 119.600 -0.001 0.000 2.269 226 M HA 0.346 4.826 4.480 -0.001 0.000 0.350 226 M C 1.694 177.989 176.300 -0.007 0.000 1.429 226 M CA 0.883 56.180 55.300 -0.005 0.000 1.063 226 M CB -0.720 31.878 32.600 -0.004 0.000 1.841 226 M HN 0.613 nan 8.290 nan 0.000 0.455 227 G N 3.139 111.932 108.800 -0.011 0.000 2.148 227 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.254 227 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.254 227 G C 0.085 174.976 174.900 -0.015 0.000 0.981 227 G CA -0.235 44.858 45.100 -0.013 0.000 0.670 227 G HN 0.614 nan 8.290 nan 0.000 0.528 228 L N 0.772 121.985 121.223 -0.016 0.000 2.410 228 L HA 0.217 4.556 4.340 -0.001 0.000 0.273 228 L C 1.243 178.096 176.870 -0.028 0.000 1.152 228 L CA -0.321 54.508 54.840 -0.018 0.000 0.855 228 L CB 0.547 42.597 42.059 -0.016 0.000 1.129 228 L HN 0.079 nan 8.230 nan 0.000 0.463 229 K N 4.612 124.995 120.400 -0.028 0.000 2.524 229 K HA -0.037 4.283 4.320 -0.001 0.000 0.279 229 K C -1.515 175.054 176.600 -0.052 0.000 0.993 229 K CA -1.140 55.125 56.287 -0.036 0.000 1.030 229 K CB 0.484 32.965 32.500 -0.032 0.000 0.891 229 K HN 0.329 nan 8.250 nan 0.000 0.488 230 P HA -0.268 nan 4.420 nan 0.000 0.217 230 P C 0.559 177.790 177.300 -0.116 0.000 1.158 230 P CA 1.687 64.731 63.100 -0.094 0.000 0.887 230 P CB 0.122 31.769 31.700 -0.089 0.000 0.792 231 E N -0.899 119.248 120.200 -0.088 0.000 2.171 231 E HA -0.198 4.152 4.350 -0.001 0.000 0.197 231 E C 1.230 177.800 176.600 -0.052 0.000 0.997 231 E CA 1.260 57.615 56.400 -0.074 0.000 0.810 231 E CB -0.686 28.986 29.700 -0.048 0.000 0.738 231 E HN 0.333 nan 8.360 nan 0.000 0.467 232 D N 0.252 120.626 120.400 -0.042 0.000 2.360 232 D HA 0.035 4.675 4.640 -0.001 0.000 0.210 232 D C 0.132 176.425 176.300 -0.013 0.000 1.047 232 D CA 0.162 54.155 54.000 -0.011 0.000 0.854 232 D CB 0.214 41.010 40.800 -0.007 0.000 0.936 232 D HN 0.211 nan 8.370 nan 0.000 0.514 233 Q N 1.493 121.257 119.800 -0.060 0.000 2.421 233 Q HA 0.154 4.494 4.340 -0.001 0.000 0.255 233 Q C -2.021 173.946 176.000 -0.056 0.000 1.013 233 Q CA -1.139 54.623 55.803 -0.069 0.000 0.895 233 Q CB 0.543 29.209 28.738 -0.119 0.000 1.271 233 Q HN 0.048 nan 8.270 nan 0.000 0.460 234 P HA 0.094 nan 4.420 nan 0.000 0.277 234 P C -1.303 176.035 177.300 0.063 0.000 1.276 234 P CA -0.278 62.907 63.100 0.141 0.000 0.788 234 P CB 0.437 32.223 31.700 0.143 0.000 1.114 235 W N -0.714 120.632 121.300 0.078 0.000 2.639 235 W HA 0.439 5.098 4.660 -0.001 0.000 0.347 235 W C 0.490 177.028 176.519 0.032 0.000 1.067 235 W CA -0.151 57.221 57.345 0.045 0.000 1.218 235 W CB 0.436 29.938 29.460 0.070 0.000 1.393 235 W HN 0.262 nan 8.180 nan 0.000 0.557 236 S N 1.027 116.848 115.700 0.203 0.000 2.584 236 S HA 0.068 4.538 4.470 -0.001 0.000 0.270 236 S C 1.150 175.839 174.600 0.149 0.000 1.346 236 S CA -0.328 57.954 58.200 0.137 0.000 1.018 236 S CB 0.854 64.105 63.200 0.084 0.000 0.899 236 S HN 0.662 nan 8.310 nan 0.000 0.542 237 K N -0.145 120.325 120.400 0.118 0.000 2.360 237 K HA -0.117 4.202 4.320 -0.001 0.000 0.201 237 K C 1.211 177.873 176.600 0.104 0.000 1.046 237 K CA 1.674 58.035 56.287 0.123 0.000 0.940 237 K CB -0.609 31.948 32.500 0.094 0.000 0.748 237 K HN 0.552 nan 8.250 nan 0.000 0.465 238 T N -0.159 114.439 114.554 0.074 0.000 2.990 238 T HA 0.276 4.625 4.350 -0.001 0.000 0.250 238 T C 1.692 176.398 174.700 0.010 0.000 1.041 238 T CA 0.364 62.500 62.100 0.059 0.000 1.010 238 T CB 0.152 69.065 68.868 0.075 0.000 1.003 238 T HN 0.395 nan 8.240 nan 0.000 0.499 239 A N 1.668 124.459 122.820 -0.048 0.000 1.916 239 A HA -0.276 4.044 4.320 -0.001 0.000 0.224 239 A C 1.471 178.771 177.584 -0.473 0.000 1.366 239 A CA 2.443 54.339 52.037 -0.236 0.000 0.692 239 A CB -0.913 17.899 19.000 -0.313 0.000 0.841 239 A HN 0.740 nan 8.150 nan 0.000 0.480 240 H N -1.708 117.184 119.070 -0.295 0.000 2.505 240 H HA 0.516 5.072 4.556 -0.001 0.000 0.289 240 H C 1.183 176.359 175.328 -0.254 0.000 1.052 240 H CA 0.075 55.809 56.048 -0.524 0.000 1.156 240 H CB 0.216 29.271 29.762 -1.179 0.000 1.507 240 H HN 0.396 nan 8.280 nan 0.000 0.548 241 L N -0.982 120.242 121.223 0.001 0.000 2.500 241 L HA 0.191 4.531 4.340 -0.001 0.000 0.219 241 L C -0.259 176.743 176.870 0.221 0.000 1.057 241 L CA 0.127 55.027 54.840 0.099 0.000 0.854 241 L CB 0.698 42.789 42.059 0.054 0.000 1.078 241 L HN 0.160 nan 8.230 nan 0.000 0.480 242 F N 2.143 122.102 119.950 0.015 0.000 2.577 242 F HA 0.437 4.964 4.527 -0.001 0.000 0.344 242 F C -2.046 173.702 175.800 -0.086 0.000 1.145 242 F CA -2.722 55.257 58.000 -0.035 0.000 0.996 242 F CB 1.418 40.395 39.000 -0.039 0.000 1.248 242 F HN -0.248 nan 8.300 nan 0.000 0.447 243 P HA -0.216 nan 4.420 nan 0.000 0.216 243 P C 1.111 178.051 177.300 -0.601 0.000 1.153 243 P CA 1.618 64.356 63.100 -0.603 0.000 0.848 243 P CB 0.103 31.360 31.700 -0.739 0.000 0.787 244 Y N 0.372 119.977 120.300 -1.160 0.000 2.200 244 Y HA 0.047 4.597 4.550 -0.001 0.000 0.290 244 Y C 2.370 178.059 175.900 -0.351 0.000 1.137 244 Y CA 0.620 58.147 58.100 -0.955 0.000 1.163 244 Y CB -1.548 36.304 38.460 -1.013 0.000 0.988 244 Y HN 0.104 nan 8.280 nan 0.000 0.518 245 G N 0.324 109.101 108.800 -0.038 0.000 2.611 245 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.301 245 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.301 245 G C -0.460 174.687 174.900 0.411 0.000 1.233 245 G CA 0.501 45.787 45.100 0.310 0.000 0.993 245 G HN 0.382 nan 8.290 nan 0.000 0.553 246 F N 0.962 121.011 119.950 0.166 0.000 2.599 246 F HA 0.622 5.148 4.527 -0.001 0.000 0.311 246 F C 0.731 176.592 175.800 0.102 0.000 1.076 246 F CA 1.378 59.454 58.000 0.127 0.000 0.937 246 F CB 1.571 40.635 39.000 0.107 0.000 1.282 246 F HN 2.337 nan 8.300 nan 0.000 0.460 247 G N 3.552 111.864 108.800 -0.814 0.000 2.681 247 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.220 247 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.220 247 G C -2.805 171.980 174.900 -0.193 0.000 1.353 247 G CA -0.873 43.920 45.100 -0.512 0.000 0.872 247 G HN 0.661 nan 8.290 nan 0.000 0.557 248 P HA 0.241 nan 4.420 nan 0.000 0.262 248 P C -0.572 176.802 177.300 0.124 0.000 1.182 248 P CA 0.163 63.269 63.100 0.011 0.000 0.761 248 P CB 0.152 31.862 31.700 0.018 0.000 0.795 249 Y N 4.690 124.982 120.300 -0.014 0.000 2.627 249 Y HA 0.224 4.774 4.550 -0.001 0.000 0.347 249 Y C 1.090 177.038 175.900 0.079 0.000 1.099 249 Y CA -1.035 57.095 58.100 0.050 0.000 1.408 249 Y CB -0.482 38.007 38.460 0.049 0.000 1.247 249 Y HN 0.296 nan 8.280 nan 0.000 0.506 250 I N -0.438 120.141 120.570 0.016 0.000 3.793 250 I HA 0.154 4.323 4.170 -0.001 0.000 0.315 250 I C 1.013 177.050 176.117 -0.134 0.000 1.275 250 I CA 0.338 61.591 61.300 -0.079 0.000 1.214 250 I CB 0.095 38.092 38.000 -0.005 0.000 1.018 250 I HN 0.225 nan 8.210 nan 0.000 0.439 251 D N 2.549 122.850 120.400 -0.164 0.000 2.133 251 D HA -0.139 4.500 4.640 -0.001 0.000 0.195 251 D C 2.339 178.760 176.300 0.203 0.000 0.997 251 D CA 1.969 56.035 54.000 0.111 0.000 0.840 251 D CB -0.230 40.589 40.800 0.031 0.000 0.947 251 D HN 0.541 nan 8.370 nan 0.000 0.452 252 G N -0.284 108.514 108.800 -0.004 0.000 2.744 252 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.211 252 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.211 252 G C 1.336 176.067 174.900 -0.283 0.000 1.143 252 G CA -0.185 44.864 45.100 -0.084 0.000 0.788 252 G HN 0.242 nan 8.290 nan 0.000 0.534 253 L N -0.455 120.546 121.223 -0.371 0.000 2.465 253 L HA 0.148 4.488 4.340 -0.001 0.000 0.224 253 L C 1.213 177.698 176.870 -0.643 0.000 1.145 253 L CA 0.512 55.023 54.840 -0.548 0.000 0.834 253 L CB -0.075 41.542 42.059 -0.736 0.000 0.944 253 L HN 0.214 nan 8.230 nan 0.000 0.451 254 F N -1.525 118.308 119.950 -0.196 0.000 2.653 254 F HA 0.125 4.651 4.527 -0.001 0.000 0.304 254 F C 1.213 176.801 175.800 -0.353 0.000 1.092 254 F CA -0.575 57.301 58.000 -0.208 0.000 1.279 254 F CB -0.017 38.925 39.000 -0.098 0.000 1.044 254 F HN -0.072 nan 8.300 nan 0.000 0.564 255 S N -0.471 114.956 115.700 -0.454 0.000 2.472 255 S HA 0.347 4.817 4.470 -0.001 0.000 0.303 255 S C 0.154 174.487 174.600 -0.446 0.000 1.099 255 S CA -0.541 57.273 58.200 -0.644 0.000 1.077 255 S CB 1.593 63.967 63.200 -1.377 0.000 1.031 255 S HN 0.317 nan 8.310 nan 0.000 0.487 256 Q N 0.219 119.806 119.800 -0.356 0.000 2.434 256 Q HA -0.197 4.143 4.340 -0.001 0.000 0.299 256 Q C -0.061 175.785 176.000 -0.256 0.000 1.286 256 Q CA 1.052 56.681 55.803 -0.288 0.000 0.872 256 Q CB -2.275 26.293 28.738 -0.284 0.000 1.193 256 Q HN 1.040 nan 8.270 nan 0.000 0.466 257 S N -0.659 114.889 115.700 -0.253 0.000 2.697 257 S HA 0.654 5.124 4.470 -0.001 0.000 0.289 257 S C -0.014 174.444 174.600 -0.237 0.000 1.149 257 S CA -0.447 57.610 58.200 -0.238 0.000 0.850 257 S CB 1.407 64.465 63.200 -0.236 0.000 1.151 257 S HN 0.308 nan 8.310 nan 0.000 0.491 258 N N -0.075 118.488 118.700 -0.229 0.000 2.389 258 N HA 0.223 4.963 4.740 -0.001 0.000 0.260 258 N C 0.361 175.783 175.510 -0.148 0.000 1.191 258 N CA -0.483 52.435 53.050 -0.220 0.000 0.885 258 N CB 0.054 38.392 38.487 -0.249 0.000 1.162 258 N HN 0.447 nan 8.380 nan 0.000 0.512 259 M N -0.557 118.984 119.600 -0.098 0.000 2.541 259 M HA 0.337 4.817 4.480 -0.001 0.000 0.252 259 M C 0.720 177.114 176.300 0.158 0.000 1.125 259 M CA 0.177 55.465 55.300 -0.020 0.000 1.091 259 M CB -0.482 32.020 32.600 -0.163 0.000 1.420 259 M HN 0.400 nan 8.290 nan 0.000 0.486 260 G N 0.152 109.018 108.800 0.111 0.000 2.430 260 G HA2 0.540 4.499 3.960 -0.001 0.000 0.300 260 G HA3 0.540 4.499 3.960 -0.001 0.000 0.300 260 G C -1.726 173.118 174.900 -0.094 0.000 1.330 260 G CA -0.868 44.243 45.100 0.018 0.000 0.813 260 G HN 0.115 nan 8.290 nan 0.000 0.487 261 I N 0.958 121.448 120.570 -0.134 0.000 2.382 261 I HA 0.390 4.560 4.170 -0.001 0.000 0.285 261 I C -0.066 175.951 176.117 -0.166 0.000 1.007 261 I CA -0.902 60.309 61.300 -0.149 0.000 1.142 261 I CB 1.863 39.789 38.000 -0.123 0.000 1.289 261 I HN 0.188 nan 8.210 nan 0.000 0.453 262 V N 5.071 124.888 119.914 -0.163 0.000 2.498 262 V HA 0.197 4.316 4.120 -0.001 0.000 0.279 262 V C 1.131 177.163 176.094 -0.104 0.000 1.048 262 V CA -0.048 62.162 62.300 -0.151 0.000 0.967 262 V CB 1.123 32.870 31.823 -0.127 0.000 0.988 262 V HN 0.933 nan 8.190 nan 0.000 0.473 263 T N 0.698 115.206 114.554 -0.076 0.000 2.971 263 T HA 0.357 4.707 4.350 -0.001 0.000 0.252 263 T C 0.346 175.042 174.700 -0.007 0.000 1.022 263 T CA -0.067 62.006 62.100 -0.045 0.000 0.980 263 T CB 0.308 69.153 68.868 -0.040 0.000 1.044 263 T HN 0.529 nan 8.240 nan 0.000 0.501 264 K N 0.119 120.532 120.400 0.021 0.000 2.572 264 K HA 0.658 4.978 4.320 -0.001 0.000 0.263 264 K C -2.124 174.499 176.600 0.039 0.000 0.932 264 K CA -0.615 55.710 56.287 0.063 0.000 0.838 264 K CB 2.910 35.552 32.500 0.238 0.000 1.366 264 K HN 0.167 nan 8.250 nan 0.000 0.425 265 I N 0.548 121.089 120.570 -0.048 0.000 2.722 265 I HA 0.495 4.665 4.170 -0.001 0.000 0.295 265 I C -0.660 175.332 176.117 -0.210 0.000 1.161 265 I CA -0.526 60.719 61.300 -0.091 0.000 1.032 265 I CB 2.042 39.993 38.000 -0.081 0.000 1.244 265 I HN 0.719 nan 8.210 nan 0.000 0.421 266 G N 7.428 116.081 108.800 -0.246 0.000 2.338 266 G HA2 0.590 4.550 3.960 -0.001 0.000 0.298 266 G HA3 0.590 4.550 3.960 -0.001 0.000 0.298 266 G C -0.868 173.871 174.900 -0.268 0.000 1.140 266 G CA -0.328 44.565 45.100 -0.346 0.000 0.860 266 G HN 0.353 nan 8.290 nan 0.000 0.470 267 I N 1.925 122.391 120.570 -0.174 0.000 2.498 267 I HA 0.301 4.471 4.170 -0.001 0.000 0.290 267 I C -0.717 175.468 176.117 0.115 0.000 1.032 267 I CA -1.208 60.011 61.300 -0.134 0.000 1.073 267 I CB 1.773 39.730 38.000 -0.072 0.000 1.251 267 I HN 0.449 nan 8.210 nan 0.000 0.426 268 W N 6.278 127.619 121.300 0.069 0.000 2.190 268 W HA 0.363 5.022 4.660 -0.001 0.000 0.330 268 W C -0.136 176.577 176.519 0.323 0.000 1.299 268 W CA -0.503 56.957 57.345 0.191 0.000 1.215 268 W CB 0.168 29.705 29.460 0.128 0.000 1.147 268 W HN 0.222 nan 8.180 nan 0.000 0.563 269 L N 4.707 126.220 121.223 0.482 0.000 2.362 269 L HA 0.435 4.774 4.340 -0.001 0.000 0.275 269 L C 0.220 177.025 176.870 -0.108 0.000 0.998 269 L CA -1.052 53.890 54.840 0.171 0.000 0.820 269 L CB 1.934 44.051 42.059 0.096 0.000 1.270 269 L HN 0.300 nan 8.230 nan 0.000 0.415 270 M N 5.128 124.304 119.600 -0.706 0.000 2.162 270 M HA 0.352 4.832 4.480 -0.001 0.000 0.356 270 M C -2.351 173.714 176.300 -0.391 0.000 1.303 270 M CA -1.230 53.536 55.300 -0.890 0.000 1.116 270 M CB 1.214 33.015 32.600 -1.332 0.000 1.632 270 M HN 0.179 nan 8.290 nan 0.000 0.469 271 P HA -0.035 nan 4.420 nan 0.000 0.266 271 P C -0.829 176.202 177.300 -0.449 0.000 1.195 271 P CA -0.024 62.918 63.100 -0.263 0.000 0.768 271 P CB 0.301 31.890 31.700 -0.186 0.000 0.838 272 N N 4.155 122.531 118.700 -0.540 0.000 2.223 272 N HA -0.094 4.646 4.740 -0.001 0.000 0.271 272 N C -1.269 173.880 175.510 -0.602 0.000 1.315 272 N CA -0.457 52.068 53.050 -0.876 0.000 0.835 272 N CB 0.316 38.519 38.487 -0.473 0.000 1.066 272 N HN 0.252 nan 8.380 nan 0.000 0.486 273 P HA 0.007 nan 4.420 nan 0.000 0.240 273 P C 0.155 177.349 177.300 -0.177 0.000 1.190 273 P CA 0.833 63.740 63.100 -0.322 0.000 0.781 273 P CB 0.147 31.724 31.700 -0.206 0.000 0.931 274 R N -1.343 119.047 120.500 -0.184 0.000 3.407 274 R HA 0.169 4.509 4.340 -0.001 0.000 0.277 274 R C 0.465 176.754 176.300 -0.019 0.000 1.119 274 R CA 0.913 56.968 56.100 -0.075 0.000 0.750 274 R CB -2.898 nan 30.300 nan 0.000 1.258 274 R HN 0.798 nan 8.270 nan 0.000 0.432 275 G N -1.810 107.000 108.800 0.018 0.000 2.249 275 G HA2 0.544 4.504 3.960 -0.001 0.000 0.252 275 G HA3 0.544 4.504 3.960 -0.001 0.000 0.252 275 G C -1.220 173.770 174.900 0.151 0.000 1.697 275 G CA 0.161 45.299 45.100 0.063 0.000 0.916 275 G HN 1.874 nan 8.290 nan 0.000 0.725 276 Y N 1.304 121.594 120.300 -0.017 0.000 2.482 276 Y HA 0.772 5.322 4.550 -0.001 0.000 0.334 276 Y C -1.015 174.772 175.900 -0.188 0.000 1.091 276 Y CA -1.096 56.962 58.100 -0.069 0.000 1.027 276 Y CB 2.831 41.401 38.460 0.183 0.000 1.306 276 Y HN 0.793 nan 8.280 nan 0.000 0.446 277 Q N 3.534 122.661 119.800 -1.122 0.000 2.444 277 Q HA 0.415 4.754 4.340 -0.001 0.000 0.239 277 Q C -1.387 173.973 176.000 -1.067 0.000 0.853 277 Q CA -0.442 54.729 55.803 -1.053 0.000 0.856 277 Q CB 1.348 29.568 28.738 -0.863 0.000 1.413 277 Q HN 0.749 nan 8.270 nan 0.000 0.437 278 S N 2.080 117.182 115.700 -0.997 0.000 2.640 278 S HA 0.857 5.326 4.470 -0.001 0.000 0.262 278 S C -0.363 174.060 174.600 -0.295 0.000 1.232 278 S CA 0.049 57.908 58.200 -0.569 0.000 0.988 278 S CB 0.579 63.585 63.200 -0.323 0.000 1.034 278 S HN 0.929 nan 8.310 nan 0.000 0.569 279 Y N -2.633 117.558 120.300 -0.183 0.000 2.717 279 Y HA 0.668 5.218 4.550 -0.001 0.000 0.345 279 Y C -1.899 173.997 175.900 -0.005 0.000 1.187 279 Y CA -1.603 56.496 58.100 -0.002 0.000 1.128 279 Y CB 0.225 38.696 38.460 0.018 0.000 1.360 279 Y HN 0.777 nan 8.280 nan 0.000 0.467 280 L N 2.967 124.342 121.223 0.253 0.000 2.370 280 L HA 0.892 5.232 4.340 -0.001 0.000 0.266 280 L C -1.698 175.306 176.870 0.223 0.000 1.002 280 L CA -1.031 53.775 54.840 -0.058 0.000 0.818 280 L CB 1.938 43.838 42.059 -0.266 0.000 1.325 280 L HN 0.715 nan 8.230 nan 0.000 0.418 281 I N 2.725 123.332 120.570 0.062 0.000 2.466 281 I HA 0.439 4.608 4.170 -0.001 0.000 0.289 281 I C -0.468 175.618 176.117 -0.051 0.000 1.026 281 I CA -0.562 60.714 61.300 -0.039 0.000 1.078 281 I CB 2.279 40.179 38.000 -0.167 0.000 1.249 281 I HN 0.729 nan 8.210 nan 0.000 0.429 282 T N 4.613 119.134 114.554 -0.055 0.000 2.829 282 T HA 0.736 5.086 4.350 -0.001 0.000 0.282 282 T C -0.571 174.121 174.700 -0.013 0.000 0.990 282 T CA -0.721 61.385 62.100 0.010 0.000 1.028 282 T CB 1.165 70.091 68.868 0.097 0.000 0.951 282 T HN 0.358 nan 8.240 nan 0.000 0.460 283 L N 4.522 125.779 121.223 0.057 0.000 2.324 283 L HA 0.367 4.707 4.340 -0.001 0.000 0.274 283 L C -1.890 175.032 176.870 0.086 0.000 1.012 283 L CA -2.366 52.525 54.840 0.085 0.000 0.859 283 L CB 1.514 43.670 42.059 0.161 0.000 1.224 283 L HN 0.372 nan 8.230 nan 0.000 0.429 284 P HA -0.191 nan 4.420 nan 0.000 0.214 284 P C 0.029 177.360 177.300 0.052 0.000 1.172 284 P CA 1.430 64.553 63.100 0.037 0.000 0.925 284 P CB 0.170 31.886 31.700 0.026 0.000 0.793 285 K N -0.318 120.130 120.400 0.080 0.000 2.154 285 K HA 0.023 4.342 4.320 -0.001 0.000 0.264 285 K C 0.906 177.616 176.600 0.183 0.000 1.008 285 K CA -0.198 56.149 56.287 0.099 0.000 0.937 285 K CB 0.197 32.749 32.500 0.086 0.000 1.002 285 K HN -0.067 nan 8.250 nan 0.000 0.469 286 D N 1.562 122.070 120.400 0.178 0.000 2.182 286 D HA -0.104 4.535 4.640 -0.001 0.000 0.201 286 D C 1.438 178.002 176.300 0.441 0.000 0.986 286 D CA 1.377 55.569 54.000 0.320 0.000 0.847 286 D CB -0.028 40.939 40.800 0.279 0.000 0.942 286 D HN 0.782 nan 8.370 nan 0.000 0.467 287 G N -0.749 108.202 108.800 0.251 0.000 2.920 287 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.208 287 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.208 287 G C 1.110 176.060 174.900 0.083 0.000 1.159 287 G CA -0.022 45.178 45.100 0.167 0.000 0.784 287 G HN 0.140 nan 8.290 nan 0.000 0.535 288 D N 0.292 120.763 120.400 0.119 0.000 2.348 288 D HA -0.061 4.579 4.640 -0.001 0.000 0.216 288 D C 2.322 178.567 176.300 -0.092 0.000 0.970 288 D CA 0.054 54.080 54.000 0.043 0.000 0.889 288 D CB 0.217 41.078 40.800 0.103 0.000 0.912 288 D HN 0.277 nan 8.370 nan 0.000 0.524 289 L N 1.576 122.639 121.223 -0.267 0.000 2.043 289 L HA -0.249 4.091 4.340 -0.001 0.000 0.212 289 L C 2.157 178.773 176.870 -0.423 0.000 1.075 289 L CA 1.887 56.339 54.840 -0.648 0.000 0.752 289 L CB -0.438 40.896 42.059 -1.209 0.000 0.891 289 L HN -0.144 nan 8.230 nan 0.000 0.432 290 K N -0.655 119.588 120.400 -0.261 0.000 2.002 290 K HA -0.232 4.088 4.320 -0.001 0.000 0.209 290 K C 2.182 178.658 176.600 -0.206 0.000 1.048 290 K CA 2.134 58.296 56.287 -0.207 0.000 0.930 290 K CB -0.548 31.886 32.500 -0.110 0.000 0.714 290 K HN 0.512 nan 8.250 nan 0.000 0.438 291 Q N -0.609 119.087 119.800 -0.174 0.000 2.172 291 Q HA 0.002 4.342 4.340 -0.001 0.000 0.200 291 Q C 2.005 177.843 176.000 -0.271 0.000 0.964 291 Q CA 1.010 56.700 55.803 -0.189 0.000 0.855 291 Q CB -0.145 28.505 28.738 -0.147 0.000 0.918 291 Q HN 0.507 nan 8.270 nan 0.000 0.444 292 A N 0.151 122.811 122.820 -0.266 0.000 1.849 292 A HA -0.215 4.105 4.320 -0.001 0.000 0.217 292 A C 2.203 179.559 177.584 -0.379 0.000 1.202 292 A CA 1.907 53.758 52.037 -0.311 0.000 0.629 292 A CB -1.102 17.794 19.000 -0.174 0.000 0.834 292 A HN 0.254 nan 8.150 nan 0.000 0.447 293 V N 0.786 120.485 119.914 -0.358 0.000 2.324 293 V HA -0.307 3.813 4.120 -0.001 0.000 0.250 293 V C 2.162 178.095 176.094 -0.267 0.000 1.060 293 V CA 2.432 64.532 62.300 -0.333 0.000 1.042 293 V CB -1.024 30.566 31.823 -0.390 0.000 0.650 293 V HN 0.510 nan 8.190 nan 0.000 0.450 294 D N -0.377 119.871 120.400 -0.253 0.000 2.218 294 D HA -0.092 4.548 4.640 -0.001 0.000 0.204 294 D C 1.992 178.152 176.300 -0.232 0.000 0.976 294 D CA 1.200 55.077 54.000 -0.205 0.000 0.853 294 D CB -0.073 40.620 40.800 -0.178 0.000 0.939 294 D HN 0.450 nan 8.370 nan 0.000 0.481 295 I N 0.104 120.469 120.570 -0.342 0.000 2.400 295 I HA -0.131 4.038 4.170 -0.001 0.000 0.248 295 I C 2.203 178.113 176.117 -0.344 0.000 1.109 295 I CA 0.338 61.380 61.300 -0.429 0.000 1.425 295 I CB 0.073 37.608 38.000 -0.774 0.000 1.094 295 I HN -0.096 nan 8.210 nan 0.000 0.425 296 I N 0.381 120.753 120.570 -0.330 0.000 2.163 296 I HA -0.349 3.820 4.170 -0.001 0.000 0.243 296 I C 2.692 178.773 176.117 -0.061 0.000 1.085 296 I CA 1.265 62.479 61.300 -0.144 0.000 1.347 296 I CB -0.549 37.370 38.000 -0.135 0.000 1.044 296 I HN 0.191 nan 8.210 nan 0.000 0.408 297 R N 1.060 121.507 120.500 -0.089 0.000 2.206 297 R HA -0.241 4.099 4.340 -0.001 0.000 0.240 297 R C -0.400 175.886 176.300 -0.024 0.000 1.117 297 R CA 3.040 59.108 56.100 -0.052 0.000 0.915 297 R CB -1.696 28.560 30.300 -0.073 0.000 0.888 297 R HN 0.263 nan 8.270 nan 0.000 0.432 298 P HA -0.122 nan 4.420 nan 0.000 0.218 298 P C 1.316 178.622 177.300 0.010 0.000 1.149 298 P CA 1.483 64.573 63.100 -0.018 0.000 0.817 298 P CB -0.161 31.517 31.700 -0.037 0.000 0.785 299 L N -1.582 119.652 121.223 0.019 0.000 2.313 299 L HA 0.082 4.421 4.340 -0.001 0.000 0.214 299 L C 2.851 179.785 176.870 0.107 0.000 1.119 299 L CA 0.690 55.572 54.840 0.070 0.000 0.809 299 L CB -0.929 41.192 42.059 0.104 0.000 0.933 299 L HN -0.134 nan 8.230 nan 0.000 0.449 300 R N 0.808 121.365 120.500 0.094 0.000 2.055 300 R HA -0.043 4.297 4.340 -0.001 0.000 0.228 300 R C 2.089 178.438 176.300 0.082 0.000 1.143 300 R CA 1.385 57.549 56.100 0.107 0.000 0.945 300 R CB -0.713 29.643 30.300 0.094 0.000 0.841 300 R HN 0.062 nan 8.270 nan 0.000 0.429 301 L N 0.015 121.271 121.223 0.055 0.000 2.189 301 L HA -0.030 4.310 4.340 -0.001 0.000 0.214 301 L C 1.699 178.597 176.870 0.047 0.000 1.097 301 L CA 2.267 57.134 54.840 0.044 0.000 0.764 301 L CB -1.275 40.800 42.059 0.027 0.000 0.900 301 L HN 0.501 nan 8.230 nan 0.000 0.436 302 G N -3.158 105.674 108.800 0.053 0.000 3.277 302 G HA2 0.177 4.137 3.960 -0.001 0.000 0.243 302 G HA3 0.177 4.137 3.960 -0.001 0.000 0.243 302 G C 0.813 175.755 174.900 0.069 0.000 1.107 302 G CA -0.169 44.962 45.100 0.051 0.000 0.771 302 G HN 0.254 nan 8.290 nan 0.000 0.544 303 M N -0.222 119.430 119.600 0.087 0.000 2.249 303 M HA -0.252 4.227 4.480 -0.001 0.000 0.198 303 M C 1.567 177.942 176.300 0.126 0.000 0.394 303 M CA 0.503 55.868 55.300 0.108 0.000 0.427 303 M CB -1.163 31.489 32.600 0.088 0.000 1.307 303 M HN 0.312 nan 8.290 nan 0.000 0.924 304 A N -0.722 122.183 122.820 0.141 0.000 1.997 304 A HA 0.372 4.692 4.320 -0.001 0.000 0.212 304 A C 0.728 178.456 177.584 0.240 0.000 1.178 304 A CA 0.474 52.612 52.037 0.169 0.000 0.698 304 A CB 0.390 19.479 19.000 0.148 0.000 0.842 304 A HN 0.493 nan 8.150 nan 0.000 0.458 305 L N 0.745 122.120 121.223 0.253 0.000 2.255 305 L HA 0.266 4.606 4.340 -0.001 0.000 0.289 305 L C 0.673 177.696 176.870 0.256 0.000 1.046 305 L CA -0.272 54.755 54.840 0.312 0.000 0.816 305 L CB 1.371 43.639 42.059 0.348 0.000 1.197 305 L HN 0.371 nan 8.230 nan 0.000 0.427 306 Q N 1.213 121.186 119.800 0.289 0.000 2.396 306 Q HA 0.040 4.379 4.340 -0.001 0.000 0.209 306 Q C 0.527 176.623 176.000 0.160 0.000 0.906 306 Q CA 0.182 56.117 55.803 0.220 0.000 0.927 306 Q CB 0.368 29.262 28.738 0.260 0.000 1.069 306 Q HN 0.752 nan 8.270 nan 0.000 0.523 307 N N -0.392 118.442 118.700 0.223 0.000 3.040 307 N HA 0.198 4.938 4.740 -0.001 0.000 0.339 307 N C -0.484 175.122 175.510 0.161 0.000 1.387 307 N CA -0.616 52.535 53.050 0.169 0.000 0.745 307 N CB 0.487 39.156 38.487 0.303 0.000 1.237 307 N HN -0.173 nan 8.380 nan 0.000 0.565 308 V N 1.224 121.237 119.914 0.164 0.000 2.266 308 V HA 0.400 4.520 4.120 -0.001 0.000 0.271 308 V C -2.286 173.949 176.094 0.234 0.000 1.032 308 V CA -1.315 61.083 62.300 0.164 0.000 0.806 308 V CB 0.289 32.148 31.823 0.061 0.000 1.052 308 V HN 0.582 nan 8.190 nan 0.000 0.449 309 P HA 0.357 nan 4.420 nan 0.000 0.274 309 P C -0.174 177.204 177.300 0.131 0.000 1.246 309 P CA 0.121 63.262 63.100 0.068 0.000 0.795 309 P CB 0.906 32.628 31.700 0.035 0.000 1.006 310 T N -1.582 112.985 114.554 0.023 0.000 2.893 310 T HA 0.707 5.056 4.350 -0.001 0.000 0.291 310 T C -0.065 174.804 174.700 0.281 0.000 1.028 310 T CA -0.728 61.447 62.100 0.125 0.000 0.995 310 T CB 0.936 69.765 68.868 -0.066 0.000 1.051 310 T HN 0.192 nan 8.240 nan 0.000 0.470 311 I N 1.997 122.798 120.570 0.385 0.000 2.390 311 I HA 0.390 4.560 4.170 -0.001 0.000 0.283 311 I C 0.203 176.625 176.117 0.507 0.000 1.016 311 I CA -0.755 60.842 61.300 0.496 0.000 1.151 311 I CB 1.119 39.367 38.000 0.413 0.000 1.293 311 I HN 0.383 nan 8.210 nan 0.000 0.458 312 R N 4.115 124.889 120.500 0.456 0.000 2.312 312 R HA 0.331 4.670 4.340 -0.001 0.000 0.311 312 R C 0.092 176.568 176.300 0.293 0.000 1.004 312 R CA -0.748 55.536 56.100 0.306 0.000 0.902 312 R CB 1.010 31.393 30.300 0.139 0.000 1.073 312 R HN 0.522 nan 8.270 nan 0.000 0.457 313 H N 2.479 121.564 119.070 0.024 0.000 2.871 313 H HA -0.055 4.501 4.556 -0.001 0.000 0.355 313 H C 1.169 176.309 175.328 -0.313 0.000 1.092 313 H CA 0.224 56.030 56.048 -0.404 0.000 1.420 313 H CB 1.045 30.596 29.762 -0.352 0.000 1.400 313 H HN 0.532 nan 8.280 nan 0.000 0.604 314 I N 4.368 124.475 120.570 -0.773 0.000 2.567 314 I HA -0.228 3.942 4.170 -0.001 0.000 0.257 314 I C 1.916 177.819 176.117 -0.358 0.000 1.184 314 I CA 1.168 62.182 61.300 -0.477 0.000 1.451 314 I CB -0.218 37.485 38.000 -0.495 0.000 1.089 314 I HN 0.634 nan 8.210 nan 0.000 0.441 315 L N -1.070 119.964 121.223 -0.316 0.000 2.341 315 L HA -0.078 4.262 4.340 -0.001 0.000 0.214 315 L C 2.211 178.823 176.870 -0.431 0.000 1.115 315 L CA 0.238 54.845 54.840 -0.387 0.000 0.820 315 L CB -0.365 41.457 42.059 -0.396 0.000 0.944 315 L HN 0.310 nan 8.230 nan 0.000 0.452 316 L N 0.151 121.169 121.223 -0.342 0.000 1.994 316 L HA -0.222 4.118 4.340 -0.001 0.000 0.208 316 L C 2.059 178.794 176.870 -0.226 0.000 1.071 316 L CA 1.954 56.552 54.840 -0.403 0.000 0.745 316 L CB -0.589 41.230 42.059 -0.399 0.000 0.892 316 L HN 0.190 nan 8.230 nan 0.000 0.431 317 D N -0.356 119.954 120.400 -0.150 0.000 2.117 317 D HA -0.144 4.496 4.640 -0.001 0.000 0.197 317 D C 2.193 178.490 176.300 -0.004 0.000 0.987 317 D CA 1.501 55.468 54.000 -0.055 0.000 0.829 317 D CB -0.274 40.517 40.800 -0.015 0.000 0.961 317 D HN 0.449 nan 8.370 nan 0.000 0.460 318 A N 1.079 123.854 122.820 -0.075 0.000 1.908 318 A HA -0.114 4.206 4.320 -0.001 0.000 0.218 318 A C 2.301 180.017 177.584 0.220 0.000 1.181 318 A CA 2.404 54.419 52.037 -0.036 0.000 0.627 318 A CB -0.695 18.091 19.000 -0.356 0.000 0.818 318 A HN 0.253 nan 8.150 nan 0.000 0.445 319 A N -0.787 122.120 122.820 0.145 0.000 1.968 319 A HA 0.111 4.431 4.320 -0.001 0.000 0.217 319 A C 2.162 179.966 177.584 0.366 0.000 1.169 319 A CA 1.465 53.734 52.037 0.386 0.000 0.638 319 A CB -0.701 18.452 19.000 0.254 0.000 0.812 319 A HN 0.367 nan 8.150 nan 0.000 0.446 320 V N 0.209 120.287 119.914 0.273 0.000 2.343 320 V HA -0.235 3.885 4.120 -0.001 0.000 0.247 320 V C 2.475 178.675 176.094 0.176 0.000 1.051 320 V CA 1.837 64.272 62.300 0.226 0.000 1.036 320 V CB -0.656 31.268 31.823 0.168 0.000 0.654 320 V HN 0.568 nan 8.190 nan 0.000 0.451 321 L N -0.692 120.649 121.223 0.195 0.000 2.179 321 L HA 0.264 4.604 4.340 -0.001 0.000 0.208 321 L C 1.055 178.023 176.870 0.164 0.000 1.096 321 L CA 1.174 56.116 54.840 0.170 0.000 0.779 321 L CB -0.374 41.794 42.059 0.181 0.000 0.922 321 L HN 0.523 nan 8.230 nan 0.000 0.443 322 G N -0.331 108.632 108.800 0.272 0.000 2.732 322 G HA2 0.304 4.264 3.960 -0.001 0.000 0.296 322 G HA3 0.304 4.264 3.960 -0.001 0.000 0.296 322 G C -1.722 173.365 174.900 0.312 0.000 1.448 322 G CA -0.579 44.608 45.100 0.144 0.000 0.911 322 G HN 0.012 nan 8.290 nan 0.000 0.528 323 D N 0.540 121.013 120.400 0.122 0.000 2.361 323 D HA 0.059 4.699 4.640 -0.001 0.000 0.239 323 D C 1.215 177.463 176.300 -0.086 0.000 1.200 323 D CA -0.509 53.542 54.000 0.085 0.000 0.915 323 D CB 1.566 42.352 40.800 -0.024 0.000 1.170 323 D HN 0.436 nan 8.370 nan 0.000 0.444 324 K N 0.715 120.789 120.400 -0.543 0.000 2.103 324 K HA -0.202 4.117 4.320 -0.001 0.000 0.207 324 K C 1.978 178.344 176.600 -0.389 0.000 1.048 324 K CA 0.976 56.676 56.287 -0.979 0.000 0.930 324 K CB 0.010 31.538 32.500 -1.620 0.000 0.716 324 K HN 0.349 nan 8.250 nan 0.000 0.444 325 R N 0.141 120.468 120.500 -0.287 0.000 2.159 325 R HA -0.097 4.243 4.340 -0.001 0.000 0.237 325 R C 2.409 178.624 176.300 -0.141 0.000 1.131 325 R CA 1.631 57.625 56.100 -0.175 0.000 0.982 325 R CB -0.140 30.075 30.300 -0.140 0.000 0.868 325 R HN 0.314 nan 8.270 nan 0.000 0.453 326 S N -1.009 114.582 115.700 -0.182 0.000 2.470 326 S HA -0.044 4.425 4.470 -0.001 0.000 0.225 326 S C 1.448 175.897 174.600 -0.252 0.000 1.006 326 S CA 0.393 58.449 58.200 -0.241 0.000 0.934 326 S CB -0.023 62.969 63.200 -0.346 0.000 0.778 326 S HN 0.305 nan 8.310 nan 0.000 0.517 327 Y N 1.133 121.405 120.300 -0.047 0.000 2.479 327 Y HA 0.512 5.061 4.550 -0.001 0.000 0.283 327 Y C 1.385 177.283 175.900 -0.004 0.000 1.109 327 Y CA 0.135 58.239 58.100 0.006 0.000 1.239 327 Y CB 0.235 38.741 38.460 0.076 0.000 1.108 327 Y HN 0.332 nan 8.280 nan 0.000 0.548 328 S N -1.886 113.874 115.700 0.100 0.000 2.550 328 S HA 0.351 4.820 4.470 -0.001 0.000 0.270 328 S C 0.320 174.914 174.600 -0.011 0.000 1.145 328 S CA -0.525 57.704 58.200 0.049 0.000 0.852 328 S CB 1.563 64.806 63.200 0.071 0.000 1.119 328 S HN -0.065 nan 8.310 nan 0.000 0.465 329 S N 1.045 116.741 115.700 -0.007 0.000 2.524 329 S HA 0.270 4.740 4.470 -0.001 0.000 0.216 329 S C 0.762 175.352 174.600 -0.018 0.000 0.987 329 S CA 0.076 58.262 58.200 -0.023 0.000 0.909 329 S CB -0.069 63.121 63.200 -0.016 0.000 0.781 329 S HN 0.601 nan 8.310 nan 0.000 0.521 330 R N 0.679 121.178 120.500 -0.001 0.000 2.698 330 R HA 0.054 4.393 4.340 -0.001 0.000 0.266 330 R C 1.236 177.538 176.300 0.002 0.000 1.026 330 R CA 0.479 56.585 56.100 0.010 0.000 1.102 330 R CB 0.302 30.621 30.300 0.031 0.000 0.978 330 R HN 0.053 nan 8.270 nan 0.000 0.436 331 T N 1.241 115.801 114.554 0.010 0.000 3.010 331 T HA 0.010 4.360 4.350 -0.001 0.000 0.252 331 T C 0.383 175.102 174.700 0.032 0.000 1.047 331 T CA 0.624 62.730 62.100 0.011 0.000 1.140 331 T CB 0.227 69.100 68.868 0.008 0.000 0.885 331 T HN 0.383 nan 8.240 nan 0.000 0.464 332 E N 1.499 121.723 120.200 0.041 0.000 2.605 332 E HA 0.241 4.590 4.350 -0.001 0.000 0.255 332 E C -2.325 174.327 176.600 0.087 0.000 1.369 332 E CA -1.756 54.679 56.400 0.057 0.000 1.017 332 E CB -0.291 29.437 29.700 0.047 0.000 1.086 332 E HN 0.159 nan 8.360 nan 0.000 0.605 333 P HA 0.140 nan 4.420 nan 0.000 0.274 333 P C -0.417 176.962 177.300 0.132 0.000 1.237 333 P CA -0.085 63.100 63.100 0.141 0.000 0.793 333 P CB 0.412 32.190 31.700 0.130 0.000 0.977 334 L N 0.720 122.044 121.223 0.167 0.000 2.397 334 L HA 0.213 4.553 4.340 -0.001 0.000 0.271 334 L C 1.107 178.043 176.870 0.110 0.000 1.148 334 L CA -0.377 54.549 54.840 0.143 0.000 0.825 334 L CB 0.282 42.450 42.059 0.182 0.000 1.117 334 L HN 0.479 nan 8.230 nan 0.000 0.456 335 S N 0.330 116.081 115.700 0.085 0.000 2.606 335 S HA 0.022 4.492 4.470 -0.001 0.000 0.257 335 S C 0.505 175.144 174.600 0.065 0.000 1.327 335 S CA -0.633 57.607 58.200 0.067 0.000 0.984 335 S CB 1.057 64.290 63.200 0.054 0.000 0.941 335 S HN 0.650 nan 8.310 nan 0.000 0.576 336 D N 0.807 121.240 120.400 0.056 0.000 2.097 336 D HA -0.056 4.584 4.640 -0.001 0.000 0.195 336 D C 1.801 178.124 176.300 0.037 0.000 0.989 336 D CA 1.465 55.496 54.000 0.052 0.000 0.827 336 D CB -0.184 40.647 40.800 0.052 0.000 0.966 336 D HN 0.711 nan 8.370 nan 0.000 0.456 337 E N 0.480 120.702 120.200 0.036 0.000 2.153 337 E HA -0.124 4.226 4.350 -0.001 0.000 0.194 337 E C 1.676 178.294 176.600 0.030 0.000 0.988 337 E CA 0.717 57.136 56.400 0.030 0.000 0.811 337 E CB -0.171 29.548 29.700 0.031 0.000 0.746 337 E HN 0.390 nan 8.360 nan 0.000 0.466 338 E N -0.192 120.031 120.200 0.039 0.000 2.418 338 E HA -0.022 4.328 4.350 -0.001 0.000 0.197 338 E C 1.415 178.033 176.600 0.030 0.000 1.026 338 E CA 0.269 56.697 56.400 0.046 0.000 0.862 338 E CB 0.117 29.855 29.700 0.064 0.000 0.799 338 E HN 0.278 nan 8.360 nan 0.000 0.518 339 L N 0.289 121.519 121.223 0.011 0.000 2.408 339 L HA -0.015 4.324 4.340 -0.001 0.000 0.215 339 L C 1.493 178.327 176.870 -0.060 0.000 1.081 339 L CA 0.232 55.050 54.840 -0.037 0.000 0.840 339 L CB 0.123 42.158 42.059 -0.040 0.000 1.002 339 L HN 0.014 nan 8.230 nan 0.000 0.468 340 D N 0.582 120.965 120.400 -0.027 0.000 2.183 340 D HA -0.154 4.486 4.640 -0.001 0.000 0.203 340 D C 1.923 178.217 176.300 -0.011 0.000 0.969 340 D CA 0.924 54.911 54.000 -0.023 0.000 0.842 340 D CB 0.173 40.972 40.800 -0.002 0.000 0.957 340 D HN 0.230 nan 8.370 nan 0.000 0.484 341 K N 0.486 120.889 120.400 0.004 0.000 2.057 341 K HA -0.042 4.277 4.320 -0.001 0.000 0.207 341 K C 2.251 178.864 176.600 0.021 0.000 1.049 341 K CA 0.639 56.939 56.287 0.022 0.000 0.931 341 K CB 0.003 32.527 32.500 0.040 0.000 0.714 341 K HN 0.104 nan 8.250 nan 0.000 0.440 342 I N 0.460 121.026 120.570 -0.007 0.000 2.439 342 I HA -0.213 3.957 4.170 -0.001 0.000 0.251 342 I C 2.312 178.398 176.117 -0.051 0.000 1.139 342 I CA 0.626 61.904 61.300 -0.038 0.000 1.438 342 I CB -0.219 37.673 38.000 -0.179 0.000 1.085 342 I HN 0.161 nan 8.210 nan 0.000 0.427 343 A N 1.545 124.325 122.820 -0.066 0.000 1.845 343 A HA -0.253 4.067 4.320 -0.001 0.000 0.215 343 A C 2.426 179.995 177.584 -0.025 0.000 1.195 343 A CA 1.987 53.986 52.037 -0.064 0.000 0.616 343 A CB -0.609 18.347 19.000 -0.074 0.000 0.832 343 A HN 0.373 nan 8.150 nan 0.000 0.443 344 K N -0.249 120.147 120.400 -0.007 0.000 2.147 344 K HA -0.208 4.111 4.320 -0.001 0.000 0.205 344 K C 1.981 178.593 176.600 0.019 0.000 1.049 344 K CA 1.894 58.187 56.287 0.010 0.000 0.936 344 K CB -0.297 32.212 32.500 0.015 0.000 0.722 344 K HN 0.606 nan 8.250 nan 0.000 0.446 345 Q N 0.325 120.143 119.800 0.030 0.000 2.084 345 Q HA -0.037 4.303 4.340 -0.001 0.000 0.202 345 Q C 1.960 177.988 176.000 0.046 0.000 0.978 345 Q CA 1.563 57.397 55.803 0.052 0.000 0.844 345 Q CB 0.072 28.866 28.738 0.094 0.000 0.898 345 Q HN 0.369 nan 8.270 nan 0.000 0.426 346 L N -0.256 120.986 121.223 0.031 0.000 2.607 346 L HA 0.116 4.456 4.340 -0.001 0.000 0.228 346 L C 0.246 177.100 176.870 -0.028 0.000 1.123 346 L CA -0.189 54.662 54.840 0.020 0.000 0.890 346 L CB 0.208 42.283 42.059 0.026 0.000 1.103 346 L HN 0.279 nan 8.230 nan 0.000 0.468 347 N N 0.515 119.198 118.700 -0.029 0.000 2.782 347 N HA -0.153 4.587 4.740 -0.001 0.000 0.251 347 N C -0.285 175.170 175.510 -0.091 0.000 1.101 347 N CA 0.806 53.823 53.050 -0.054 0.000 0.764 347 N CB -1.106 37.327 38.487 -0.089 0.000 1.122 347 N HN 0.262 nan 8.380 nan 0.000 0.561 348 L N -0.546 120.638 121.223 -0.065 0.000 2.331 348 L HA 0.705 5.045 4.340 -0.001 0.000 0.268 348 L C 1.656 178.505 176.870 -0.035 0.000 1.015 348 L CA -0.527 54.278 54.840 -0.059 0.000 0.807 348 L CB 1.140 43.164 42.059 -0.059 0.000 1.293 348 L HN 0.008 nan 8.230 nan 0.000 0.451 349 G N -0.490 108.297 108.800 -0.022 0.000 2.510 349 G HA2 0.225 4.184 3.960 -0.001 0.000 0.280 349 G HA3 0.225 4.184 3.960 -0.001 0.000 0.280 349 G C 0.551 175.394 174.900 -0.095 0.000 1.386 349 G CA -0.388 44.700 45.100 -0.019 0.000 1.047 349 G HN 0.487 nan 8.290 nan 0.000 0.527 350 R N -1.382 119.051 120.500 -0.113 0.000 2.119 350 R HA 0.060 4.400 4.340 -0.001 0.000 0.222 350 R C -0.297 175.642 176.300 -0.601 0.000 1.088 350 R CA 0.391 56.282 56.100 -0.349 0.000 0.984 350 R CB -0.044 30.103 30.300 -0.256 0.000 0.884 350 R HN 0.514 nan 8.270 nan 0.000 0.447 351 W N 0.367 121.637 121.300 -0.051 0.000 2.819 351 W HA 0.344 5.003 4.660 -0.001 0.000 0.337 351 W C -0.777 175.766 176.519 0.040 0.000 1.077 351 W CA -0.819 56.531 57.345 0.008 0.000 1.226 351 W CB 1.231 30.708 29.460 0.028 0.000 1.419 351 W HN -0.165 nan 8.180 nan 0.000 0.502 352 N N 2.205 121.108 118.700 0.340 0.000 2.410 352 N HA 0.352 5.092 4.740 -0.001 0.000 0.287 352 N C -1.814 173.868 175.510 0.287 0.000 1.044 352 N CA -0.614 52.559 53.050 0.205 0.000 0.881 352 N CB 1.522 40.086 38.487 0.129 0.000 1.405 352 N HN 0.267 nan 8.380 nan 0.000 0.490 353 F N 3.343 123.277 119.950 -0.026 0.000 2.385 353 F HA 0.461 4.988 4.527 -0.001 0.000 0.360 353 F C -1.298 174.427 175.800 -0.125 0.000 1.122 353 F CA -0.777 57.240 58.000 0.028 0.000 1.090 353 F CB 0.245 39.254 39.000 0.014 0.000 1.150 353 F HN 0.411 nan 8.300 nan 0.000 0.472 354 Y N 4.811 124.758 120.300 -0.589 0.000 2.342 354 Y HA 0.634 5.184 4.550 -0.001 0.000 0.338 354 Y C 0.588 175.911 175.900 -0.961 0.000 0.965 354 Y CA -0.606 57.120 58.100 -0.623 0.000 1.159 354 Y CB 1.497 39.740 38.460 -0.362 0.000 1.157 354 Y HN 0.742 nan 8.280 nan 0.000 0.486 355 G N 0.882 108.941 108.800 -1.235 0.000 3.211 355 G HA2 0.880 4.839 3.960 -0.001 0.000 0.262 355 G HA3 0.880 4.839 3.960 -0.001 0.000 0.262 355 G C -1.604 172.705 174.900 -0.985 0.000 1.352 355 G CA -0.823 43.607 45.100 -1.117 0.000 1.004 355 G HN 0.797 nan 8.290 nan 0.000 0.559 356 A N -1.051 121.546 122.820 -0.372 0.000 2.582 356 A HA 0.628 4.948 4.320 -0.001 0.000 0.297 356 A C -1.464 176.067 177.584 -0.087 0.000 1.059 356 A CA -0.515 51.368 52.037 -0.256 0.000 0.705 356 A CB 0.826 19.713 19.000 -0.189 0.000 1.279 356 A HN 0.726 nan 8.150 nan 0.000 0.404 357 L N 1.479 122.520 121.223 -0.303 0.000 2.325 357 L HA 0.710 5.050 4.340 -0.001 0.000 0.278 357 L C -1.185 175.447 176.870 -0.396 0.000 1.023 357 L CA -0.617 54.133 54.840 -0.151 0.000 0.811 357 L CB 1.347 43.353 42.059 -0.087 0.000 1.249 357 L HN 0.700 nan 8.230 nan 0.000 0.431 358 Y N 0.879 121.259 120.300 0.134 0.000 2.391 358 Y HA 0.796 5.346 4.550 -0.001 0.000 0.341 358 Y C 0.674 176.607 175.900 0.056 0.000 0.965 358 Y CA -0.459 57.720 58.100 0.132 0.000 1.067 358 Y CB 2.145 40.688 38.460 0.139 0.000 1.199 358 Y HN 0.777 nan 8.280 nan 0.000 0.450 359 G N 2.599 111.486 108.800 0.145 0.000 2.352 359 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.324 359 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.324 359 G C -3.330 171.588 174.900 0.030 0.000 1.249 359 G CA -1.489 43.650 45.100 0.065 0.000 1.053 359 G HN 0.371 nan 8.290 nan 0.000 0.492 360 P HA 0.214 nan 4.420 nan 0.000 0.269 360 P C 0.818 178.126 177.300 0.012 0.000 1.209 360 P CA -0.066 63.040 63.100 0.010 0.000 0.776 360 P CB 0.945 32.650 31.700 0.008 0.000 0.876 361 E N 4.578 124.781 120.200 0.005 0.000 2.038 361 E HA -0.175 4.175 4.350 -0.001 0.000 0.195 361 E C -0.778 175.832 176.600 0.016 0.000 1.000 361 E CA 2.105 58.507 56.400 0.003 0.000 0.803 361 E CB -1.823 27.876 29.700 -0.001 0.000 0.750 361 E HN 0.351 nan 8.360 nan 0.000 0.448 362 P HA -0.186 nan 4.420 nan 0.000 0.219 362 P C 1.608 178.926 177.300 0.030 0.000 1.149 362 P CA 1.417 64.530 63.100 0.022 0.000 0.835 362 P CB -0.149 31.561 31.700 0.016 0.000 0.778 363 I N -1.609 118.981 120.570 0.033 0.000 2.556 363 I HA -0.005 4.164 4.170 -0.001 0.000 0.251 363 I C 2.847 179.001 176.117 0.062 0.000 1.105 363 I CA 0.324 61.652 61.300 0.046 0.000 1.436 363 I CB -0.155 37.873 38.000 0.047 0.000 1.139 363 I HN -0.259 nan 8.210 nan 0.000 0.438 364 R N 0.496 121.027 120.500 0.051 0.000 2.103 364 R HA -0.239 4.100 4.340 -0.001 0.000 0.242 364 R C 2.379 178.731 176.300 0.086 0.000 1.142 364 R CA 1.672 57.801 56.100 0.048 0.000 0.960 364 R CB -0.300 29.989 30.300 -0.019 0.000 0.858 364 R HN 0.253 nan 8.270 nan 0.000 0.439 365 R N 0.024 120.570 120.500 0.078 0.000 2.080 365 R HA -0.156 4.184 4.340 -0.001 0.000 0.236 365 R C 2.214 178.595 176.300 0.135 0.000 1.137 365 R CA 1.892 58.062 56.100 0.117 0.000 0.943 365 R CB -0.278 30.066 30.300 0.073 0.000 0.846 365 R HN 0.061 nan 8.270 nan 0.000 0.431 366 V N 1.352 121.319 119.914 0.089 0.000 2.261 366 V HA -0.275 3.845 4.120 -0.001 0.000 0.246 366 V C 2.426 178.566 176.094 0.077 0.000 1.047 366 V CA 1.804 64.142 62.300 0.064 0.000 1.015 366 V CB -0.563 31.289 31.823 0.048 0.000 0.642 366 V HN 0.349 nan 8.190 nan 0.000 0.446 367 L N -0.891 120.398 121.223 0.110 0.000 1.991 367 L HA -0.322 4.018 4.340 -0.001 0.000 0.221 367 L C 2.464 179.429 176.870 0.159 0.000 1.079 367 L CA 2.708 57.631 54.840 0.137 0.000 0.778 367 L CB -0.735 41.426 42.059 0.170 0.000 0.893 367 L HN 0.586 nan 8.230 nan 0.000 0.437 368 W N 1.323 122.599 121.300 -0.041 0.000 2.338 368 W HA -0.247 4.412 4.660 -0.001 0.000 0.304 368 W C 2.216 178.658 176.519 -0.129 0.000 1.212 368 W CA 1.734 59.016 57.345 -0.106 0.000 1.264 368 W CB -0.012 29.391 29.460 -0.095 0.000 1.142 368 W HN 0.290 nan 8.180 nan 0.000 0.512 369 E N -0.713 119.400 120.200 -0.145 0.000 2.204 369 E HA -0.165 4.185 4.350 -0.001 0.000 0.194 369 E C 2.109 178.564 176.600 -0.242 0.000 0.989 369 E CA 1.611 57.850 56.400 -0.268 0.000 0.824 369 E CB -0.140 29.495 29.700 -0.109 0.000 0.756 369 E HN 0.080 nan 8.360 nan 0.000 0.477 370 T N 0.536 115.011 114.554 -0.132 0.000 2.812 370 T HA -0.047 4.303 4.350 -0.001 0.000 0.264 370 T C 1.830 176.477 174.700 -0.089 0.000 1.042 370 T CA 0.673 62.724 62.100 -0.083 0.000 1.140 370 T CB -0.027 68.834 68.868 -0.012 0.000 0.870 370 T HN 0.072 nan 8.240 nan 0.000 0.445 371 I N 0.675 121.188 120.570 -0.095 0.000 2.142 371 I HA -0.159 4.011 4.170 -0.001 0.000 0.240 371 I C 2.604 178.647 176.117 -0.123 0.000 1.078 371 I CA 1.357 62.652 61.300 -0.008 0.000 1.343 371 I CB -0.265 37.761 38.000 0.043 0.000 1.046 371 I HN 0.117 nan 8.210 nan 0.000 0.405 372 K N 0.408 120.412 120.400 -0.661 0.000 2.009 372 K HA -0.282 4.038 4.320 -0.001 0.000 0.210 372 K C 1.833 178.233 176.600 -0.333 0.000 1.049 372 K CA 2.293 58.020 56.287 -0.933 0.000 0.929 372 K CB -0.339 31.259 32.500 -1.503 0.000 0.714 372 K HN 0.279 nan 8.250 nan 0.000 0.440 373 D N 0.027 120.257 120.400 -0.283 0.000 2.218 373 D HA -0.108 4.532 4.640 -0.001 0.000 0.204 373 D C 1.584 177.852 176.300 -0.054 0.000 0.976 373 D CA 1.129 55.044 54.000 -0.141 0.000 0.853 373 D CB 0.133 40.848 40.800 -0.142 0.000 0.939 373 D HN 0.229 nan 8.370 nan 0.000 0.481 374 A N -0.756 122.047 122.820 -0.027 0.000 1.929 374 A HA -0.004 4.316 4.320 -0.001 0.000 0.216 374 A C 1.801 179.334 177.584 -0.085 0.000 1.176 374 A CA 0.676 52.677 52.037 -0.060 0.000 0.628 374 A CB -0.828 18.128 19.000 -0.073 0.000 0.816 374 A HN 0.340 nan 8.150 nan 0.000 0.444 375 F N -0.177 119.766 119.950 -0.013 0.000 2.789 375 F HA 0.071 4.598 4.527 -0.001 0.000 0.300 375 F C 2.380 178.199 175.800 0.033 0.000 1.132 375 F CA 0.678 58.684 58.000 0.011 0.000 1.404 375 F CB 0.204 39.250 39.000 0.077 0.000 1.114 375 F HN 0.104 nan 8.300 nan 0.000 0.584 376 S N -0.058 115.766 115.700 0.207 0.000 2.447 376 S HA -0.101 4.369 4.470 -0.001 0.000 0.233 376 S C 2.253 176.884 174.600 0.052 0.000 1.006 376 S CA 0.821 59.107 58.200 0.142 0.000 0.957 376 S CB -0.298 62.955 63.200 0.089 0.000 0.773 376 S HN 0.350 nan 8.310 nan 0.000 0.507 377 A N 0.626 123.450 122.820 0.008 0.000 2.248 377 A HA 0.151 4.471 4.320 -0.001 0.000 0.210 377 A C 0.711 178.283 177.584 -0.020 0.000 1.174 377 A CA 0.490 52.514 52.037 -0.023 0.000 0.750 377 A CB -0.450 18.517 19.000 -0.056 0.000 0.780 377 A HN 0.467 nan 8.150 nan 0.000 0.478 378 I N 1.236 121.806 120.570 0.001 0.000 2.312 378 I HA 0.225 4.395 4.170 -0.001 0.000 0.290 378 I C -2.475 173.646 176.117 0.006 0.000 1.008 378 I CA -2.322 58.980 61.300 0.003 0.000 1.226 378 I CB 1.591 39.606 38.000 0.025 0.000 1.371 378 I HN -0.019 nan 8.210 nan 0.000 0.468 379 P HA 0.112 nan 4.420 nan 0.000 0.268 379 P C 0.737 178.034 177.300 -0.005 0.000 1.204 379 P CA 0.349 63.449 63.100 -0.001 0.000 0.768 379 P CB 0.692 32.393 31.700 0.001 0.000 0.842 380 G N 1.321 110.114 108.800 -0.013 0.000 2.143 380 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.248 380 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.248 380 G C 0.218 175.086 174.900 -0.053 0.000 0.991 380 G CA -0.086 45.002 45.100 -0.021 0.000 0.689 380 G HN 0.636 nan 8.290 nan 0.000 0.522 381 V N 0.325 120.186 119.914 -0.089 0.000 2.843 381 V HA 0.564 4.684 4.120 -0.001 0.000 0.305 381 V C 0.379 176.266 176.094 -0.345 0.000 1.065 381 V CA 0.209 62.380 62.300 -0.214 0.000 1.116 381 V CB 1.208 32.885 31.823 -0.245 0.000 0.968 381 V HN 0.285 nan 8.190 nan 0.000 0.487 382 K N 5.642 125.742 120.400 -0.501 0.000 2.535 382 K HA 0.404 4.724 4.320 -0.001 0.000 0.250 382 K C -1.743 174.381 176.600 -0.793 0.000 0.948 382 K CA -0.297 55.649 56.287 -0.569 0.000 0.796 382 K CB 2.084 34.380 32.500 -0.340 0.000 1.216 382 K HN 0.485 nan 8.250 nan 0.000 0.432 383 F N 2.528 122.210 119.950 -0.447 0.000 2.415 383 F HA 0.416 4.943 4.527 -0.001 0.000 0.348 383 F C -0.320 175.231 175.800 -0.416 0.000 1.119 383 F CA -0.610 57.248 58.000 -0.236 0.000 1.069 383 F CB 0.794 39.761 39.000 -0.055 0.000 1.124 383 F HN 0.335 nan 8.300 nan 0.000 0.472 384 Y N 2.822 123.256 120.300 0.224 0.000 2.442 384 Y HA 0.550 5.100 4.550 -0.001 0.000 0.344 384 Y C -0.639 175.423 175.900 0.270 0.000 0.976 384 Y CA -1.313 56.857 58.100 0.117 0.000 1.040 384 Y CB 1.305 39.806 38.460 0.069 0.000 1.228 384 Y HN 0.316 nan 8.280 nan 0.000 0.451 385 F N 2.748 122.799 119.950 0.168 0.000 2.411 385 F HA 0.402 4.929 4.527 -0.001 0.000 0.324 385 F C -1.390 174.444 175.800 0.055 0.000 1.086 385 F CA -3.159 54.865 58.000 0.041 0.000 1.028 385 F CB 0.604 39.574 39.000 -0.049 0.000 1.284 385 F HN 0.270 nan 8.300 nan 0.000 0.501 386 P HA -0.159 nan 4.420 nan 0.000 0.215 386 P C 1.356 178.724 177.300 0.112 0.000 1.153 386 P CA 1.623 64.790 63.100 0.112 0.000 0.853 386 P CB 0.251 31.980 31.700 0.048 0.000 0.788 387 E N -0.295 119.980 120.200 0.126 0.000 2.219 387 E HA -0.192 4.158 4.350 -0.001 0.000 0.198 387 E C 1.026 177.689 176.600 0.106 0.000 0.998 387 E CA 1.118 57.581 56.400 0.105 0.000 0.818 387 E CB -0.705 29.060 29.700 0.108 0.000 0.741 387 E HN 0.364 nan 8.360 nan 0.000 0.477 388 D N 0.309 120.796 120.400 0.145 0.000 2.349 388 D HA -0.025 4.615 4.640 -0.001 0.000 0.224 388 D C 0.728 177.101 176.300 0.121 0.000 1.029 388 D CA 0.443 54.535 54.000 0.154 0.000 0.879 388 D CB 0.189 41.128 40.800 0.233 0.000 0.906 388 D HN 0.196 nan 8.370 nan 0.000 0.528 389 T N -2.381 112.213 114.554 0.067 0.000 2.942 389 T HA 0.582 4.931 4.350 -0.001 0.000 0.289 389 T C -2.790 171.914 174.700 0.006 0.000 1.044 389 T CA -2.163 59.934 62.100 -0.004 0.000 1.023 389 T CB 1.868 70.712 68.868 -0.041 0.000 1.123 389 T HN -0.343 nan 8.240 nan 0.000 0.512 390 P HA 0.122 nan 4.420 nan 0.000 0.267 390 P C 0.937 178.244 177.300 0.012 0.000 1.201 390 P CA -0.185 62.917 63.100 0.003 0.000 0.775 390 P CB 0.457 32.156 31.700 -0.002 0.000 0.854 391 E N 2.066 122.276 120.200 0.016 0.000 2.204 391 E HA -0.207 4.142 4.350 -0.001 0.000 0.195 391 E C 1.074 177.684 176.600 0.018 0.000 0.990 391 E CA 1.231 57.641 56.400 0.018 0.000 0.821 391 E CB -0.134 29.576 29.700 0.018 0.000 0.750 391 E HN 0.461 nan 8.360 nan 0.000 0.477 392 N N 0.447 119.158 118.700 0.018 0.000 2.412 392 N HA -0.093 4.646 4.740 -0.001 0.000 0.184 392 N C 0.507 176.031 175.510 0.023 0.000 1.101 392 N CA 0.408 53.471 53.050 0.021 0.000 0.881 392 N CB -0.491 38.011 38.487 0.025 0.000 0.969 392 N HN -0.078 nan 8.380 nan 0.000 0.459 393 S N -0.190 115.522 115.700 0.020 0.000 2.558 393 S HA 0.017 4.487 4.470 -0.001 0.000 0.287 393 S C 1.553 176.172 174.600 0.031 0.000 1.321 393 S CA -0.364 57.851 58.200 0.025 0.000 1.048 393 S CB 0.768 63.976 63.200 0.013 0.000 0.844 393 S HN -0.001 nan 8.310 nan 0.000 0.512 394 V N 3.281 123.221 119.914 0.043 0.000 2.343 394 V HA -0.155 3.964 4.120 -0.001 0.000 0.247 394 V C 2.414 178.516 176.094 0.012 0.000 1.051 394 V CA 1.804 64.099 62.300 -0.008 0.000 1.036 394 V CB -1.289 30.500 31.823 -0.057 0.000 0.654 394 V HN 0.870 nan 8.190 nan 0.000 0.451 395 L N 0.379 121.727 121.223 0.209 0.000 2.043 395 L HA -0.201 4.138 4.340 -0.001 0.000 0.212 395 L C 2.521 179.437 176.870 0.078 0.000 1.075 395 L CA 2.002 56.980 54.840 0.231 0.000 0.752 395 L CB -0.750 41.428 42.059 0.198 0.000 0.891 395 L HN 0.175 nan 8.230 nan 0.000 0.432 396 R N -1.584 118.944 120.500 0.047 0.000 2.092 396 R HA -0.083 4.257 4.340 -0.001 0.000 0.231 396 R C 2.123 178.420 176.300 -0.005 0.000 1.119 396 R CA 1.325 57.439 56.100 0.022 0.000 0.970 396 R CB -0.187 30.126 30.300 0.021 0.000 0.864 396 R HN 0.332 nan 8.270 nan 0.000 0.440 397 V N 0.647 120.547 119.914 -0.023 0.000 2.307 397 V HA -0.219 3.901 4.120 -0.001 0.000 0.245 397 V C 2.081 178.122 176.094 -0.088 0.000 1.045 397 V CA 1.720 63.985 62.300 -0.058 0.000 1.024 397 V CB -0.364 31.419 31.823 -0.068 0.000 0.651 397 V HN 0.316 nan 8.190 nan 0.000 0.449 398 R N -0.102 120.336 120.500 -0.104 0.000 2.235 398 R HA -0.115 4.225 4.340 -0.001 0.000 0.213 398 R C 1.915 178.191 176.300 -0.040 0.000 1.059 398 R CA 1.143 57.166 56.100 -0.127 0.000 0.997 398 R CB -0.380 29.782 30.300 -0.231 0.000 0.884 398 R HN 0.567 nan 8.270 nan 0.000 0.462 399 D N 1.488 121.886 120.400 -0.004 0.000 2.104 399 D HA -0.175 4.465 4.640 -0.001 0.000 0.194 399 D C 1.493 177.819 176.300 0.044 0.000 0.994 399 D CA 1.557 55.592 54.000 0.059 0.000 0.830 399 D CB 0.236 41.062 40.800 0.043 0.000 0.959 399 D HN 0.100 nan 8.370 nan 0.000 0.452 400 K N -0.759 119.607 120.400 -0.057 0.000 2.062 400 K HA -0.046 4.274 4.320 -0.001 0.000 0.205 400 K C 2.272 178.760 176.600 -0.185 0.000 1.051 400 K CA 1.360 57.557 56.287 -0.150 0.000 0.941 400 K CB -0.269 32.140 32.500 -0.153 0.000 0.719 400 K HN 0.111 nan 8.250 nan 0.000 0.440 401 T N 1.766 116.241 114.554 -0.131 0.000 2.684 401 T HA -0.130 4.220 4.350 -0.001 0.000 0.267 401 T C 1.626 176.313 174.700 -0.022 0.000 1.036 401 T CA 1.395 63.435 62.100 -0.101 0.000 1.148 401 T CB -0.091 68.713 68.868 -0.107 0.000 0.863 401 T HN 0.178 nan 8.240 nan 0.000 0.436 402 M N 1.529 121.154 119.600 0.042 0.000 2.633 402 M HA 0.066 4.546 4.480 -0.001 0.000 0.226 402 M C 1.463 177.854 176.300 0.151 0.000 1.137 402 M CA 0.544 55.963 55.300 0.198 0.000 1.020 402 M CB 0.034 32.791 32.600 0.263 0.000 1.675 402 M HN 0.373 nan 8.290 nan 0.000 0.500 403 Q N -1.363 118.305 119.800 -0.221 0.000 2.086 403 Q HA 0.310 4.649 4.340 -0.001 0.000 0.220 403 Q C 0.548 176.178 176.000 -0.617 0.000 0.792 403 Q CA 0.368 55.766 55.803 -0.675 0.000 1.062 403 Q CB 0.775 28.627 28.738 -1.477 0.000 1.198 403 Q HN 0.349 nan 8.270 nan 0.000 0.466 404 G N 1.469 110.099 108.800 -0.283 0.000 2.136 404 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.242 404 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.242 404 G C -0.069 174.666 174.900 -0.276 0.000 0.989 404 G CA 0.268 45.242 45.100 -0.210 0.000 0.682 404 G HN 0.442 nan 8.290 nan 0.000 0.522 405 I N 2.703 123.062 120.570 -0.353 0.000 2.331 405 I HA 0.318 4.487 4.170 -0.001 0.000 0.292 405 I C -1.578 174.281 176.117 -0.430 0.000 0.998 405 I CA -2.497 58.527 61.300 -0.461 0.000 1.267 405 I CB 1.524 39.287 38.000 -0.395 0.000 1.386 405 I HN -0.097 nan 8.210 nan 0.000 0.476 406 P HA 0.119 nan 4.420 nan 0.000 0.271 406 P C -0.482 176.545 177.300 -0.455 0.000 1.218 406 P CA 0.025 62.824 63.100 -0.503 0.000 0.780 406 P CB 0.979 32.302 31.700 -0.628 0.000 0.901 407 T N -0.796 113.478 114.554 -0.468 0.000 2.778 407 T HA 0.516 4.866 4.350 -0.001 0.000 0.293 407 T C -0.400 173.946 174.700 -0.591 0.000 1.144 407 T CA -0.348 61.552 62.100 -0.334 0.000 1.010 407 T CB 1.168 69.931 68.868 -0.176 0.000 1.325 407 T HN 0.286 nan 8.240 nan 0.000 0.515 408 Y N -1.146 119.128 120.300 -0.044 0.000 2.666 408 Y HA 0.263 4.813 4.550 -0.001 0.000 0.260 408 Y C 1.200 177.040 175.900 -0.101 0.000 1.089 408 Y CA -0.576 57.480 58.100 -0.073 0.000 1.246 408 Y CB 0.216 38.669 38.460 -0.012 0.000 1.353 408 Y HN 0.611 nan 8.280 nan 0.000 0.558 409 D N 0.951 121.368 120.400 0.029 0.000 2.182 409 D HA -0.162 4.478 4.640 -0.001 0.000 0.201 409 D C 1.335 177.626 176.300 -0.016 0.000 0.986 409 D CA 1.445 55.451 54.000 0.010 0.000 0.847 409 D CB 0.055 40.858 40.800 0.005 0.000 0.942 409 D HN 0.412 nan 8.370 nan 0.000 0.467 410 E N -0.028 120.146 120.200 -0.043 0.000 2.502 410 E HA 0.014 4.363 4.350 -0.001 0.000 0.194 410 E C 1.673 178.119 176.600 -0.256 0.000 1.062 410 E CA -0.048 56.352 56.400 -0.001 0.000 0.867 410 E CB 0.116 29.874 29.700 0.096 0.000 0.888 410 E HN 0.405 nan 8.360 nan 0.000 0.510 411 L N 0.877 121.932 121.223 -0.280 0.000 2.201 411 L HA -0.136 4.203 4.340 -0.001 0.000 0.212 411 L C 2.451 179.104 176.870 -0.362 0.000 1.105 411 L CA 0.847 55.441 54.840 -0.410 0.000 0.775 411 L CB -0.125 41.754 42.059 -0.299 0.000 0.913 411 L HN -0.030 nan 8.230 nan 0.000 0.440 412 K N 0.188 120.485 120.400 -0.173 0.000 2.209 412 K HA -0.189 4.131 4.320 -0.001 0.000 0.204 412 K C 1.894 178.519 176.600 0.041 0.000 1.048 412 K CA 1.365 57.623 56.287 -0.049 0.000 0.940 412 K CB -0.184 32.335 32.500 0.032 0.000 0.729 412 K HN 0.614 nan 8.250 nan 0.000 0.451 413 W N 0.009 121.329 121.300 0.035 0.000 2.467 413 W HA -0.054 4.606 4.660 -0.001 0.000 0.275 413 W C 1.238 177.795 176.519 0.064 0.000 1.239 413 W CA 0.004 57.388 57.345 0.064 0.000 1.266 413 W CB -0.816 28.652 29.460 0.013 0.000 1.112 413 W HN -0.155 nan 8.180 nan 0.000 0.576 414 I N 2.206 122.553 120.570 -0.371 0.000 2.315 414 I HA -0.301 3.869 4.170 -0.001 0.000 0.251 414 I C 1.314 177.380 176.117 -0.086 0.000 1.125 414 I CA 1.755 62.846 61.300 -0.348 0.000 1.392 414 I CB -0.565 37.061 38.000 -0.624 0.000 1.065 414 I HN -0.140 nan 8.210 nan 0.000 0.424 415 D N -0.331 120.059 120.400 -0.017 0.000 2.352 415 D HA -0.100 4.539 4.640 -0.001 0.000 0.236 415 D C 1.407 177.793 176.300 0.142 0.000 1.148 415 D CA 0.067 54.079 54.000 0.020 0.000 0.844 415 D CB -0.224 40.567 40.800 -0.015 0.000 0.933 415 D HN 0.549 nan 8.370 nan 0.000 0.507 416 W N 1.096 122.429 121.300 0.056 0.000 2.611 416 W HA 0.007 4.667 4.660 -0.001 0.000 0.251 416 W C -0.600 175.952 176.519 0.055 0.000 1.265 416 W CA 0.641 58.043 57.345 0.095 0.000 1.295 416 W CB 0.375 29.922 29.460 0.144 0.000 1.129 416 W HN -0.046 nan 8.180 nan 0.000 0.630 417 L N -0.024 121.235 121.223 0.059 0.000 2.393 417 L HA 0.226 4.566 4.340 -0.001 0.000 0.260 417 L C -1.164 175.671 176.870 -0.059 0.000 1.002 417 L CA -2.194 52.619 54.840 -0.046 0.000 0.818 417 L CB 1.686 43.763 42.059 0.030 0.000 1.369 417 L HN -0.452 nan 8.230 nan 0.000 0.412 418 P HA -0.201 nan 4.420 nan 0.000 0.214 418 P C -0.111 177.146 177.300 -0.070 0.000 1.164 418 P CA 1.588 64.652 63.100 -0.060 0.000 0.942 418 P CB 0.119 31.794 31.700 -0.042 0.000 0.791 419 N N -0.319 118.334 118.700 -0.078 0.000 3.114 419 N HA 0.205 4.945 4.740 -0.001 0.000 0.289 419 N C 0.304 175.688 175.510 -0.210 0.000 1.519 419 N CA -0.083 52.898 53.050 -0.115 0.000 1.026 419 N CB 0.537 38.983 38.487 -0.068 0.000 1.306 419 N HN 0.059 nan 8.380 nan 0.000 0.495 420 G N 0.417 109.084 108.800 -0.221 0.000 2.380 420 G HA2 0.431 4.391 3.960 -0.001 0.000 0.242 420 G HA3 0.431 4.391 3.960 -0.001 0.000 0.242 420 G C -0.331 174.231 174.900 -0.564 0.000 1.298 420 G CA -0.159 44.759 45.100 -0.303 0.000 0.878 420 G HN 0.420 nan 8.290 nan 0.000 0.542 421 A N 2.498 124.855 122.820 -0.772 0.000 2.515 421 A HA 0.745 5.065 4.320 -0.001 0.000 0.298 421 A C -0.676 176.547 177.584 -0.602 0.000 1.059 421 A CA -0.859 50.539 52.037 -1.064 0.000 0.698 421 A CB 1.496 19.713 19.000 -1.304 0.000 1.289 421 A HN 1.217 nan 8.150 nan 0.000 0.404 422 H N 0.204 119.231 119.070 -0.072 0.000 2.499 422 H HA 0.823 5.379 4.556 -0.001 0.000 0.340 422 H C -1.490 173.818 175.328 -0.032 0.000 1.148 422 H CA -2.090 53.923 56.048 -0.058 0.000 1.215 422 H CB 1.285 30.951 29.762 -0.161 0.000 1.529 422 H HN 0.689 nan 8.280 nan 0.000 0.510 423 L N 2.819 124.041 121.223 -0.003 0.000 2.439 423 L HA 0.447 4.786 4.340 -0.001 0.000 0.270 423 L C -1.945 174.780 176.870 -0.243 0.000 0.972 423 L CA -0.538 54.276 54.840 -0.044 0.000 0.836 423 L CB 0.973 43.161 42.059 0.215 0.000 1.255 423 L HN 0.518 nan 8.230 nan 0.000 0.404 424 F N 5.382 125.322 119.950 -0.017 0.000 2.411 424 F HA 0.379 4.905 4.527 -0.001 0.000 0.350 424 F C -0.234 175.659 175.800 0.154 0.000 1.114 424 F CA -0.188 57.813 58.000 0.002 0.000 1.135 424 F CB 0.980 39.890 39.000 -0.150 0.000 1.120 424 F HN 0.372 nan 8.300 nan 0.000 0.495 425 F N 3.112 123.155 119.950 0.155 0.000 2.361 425 F HA 0.463 4.989 4.527 -0.001 0.000 0.364 425 F C -0.112 175.741 175.800 0.088 0.000 1.120 425 F CA -0.656 57.383 58.000 0.065 0.000 1.102 425 F CB 0.773 39.736 39.000 -0.061 0.000 1.183 425 F HN 0.338 nan 8.300 nan 0.000 0.476 426 S N 7.817 123.271 115.700 -0.410 0.000 2.078 426 S HA 0.307 4.776 4.470 -0.001 0.000 0.168 426 S C -2.779 171.653 174.600 -0.279 0.000 1.542 426 S CA -1.155 56.932 58.200 -0.188 0.000 1.223 426 S CB -0.077 63.261 63.200 0.229 0.000 1.152 426 S HN 0.443 nan 8.310 nan 0.000 0.452 427 P HA 0.291 nan 4.420 nan 0.000 0.272 427 P C -0.583 176.626 177.300 -0.153 0.000 1.240 427 P CA -0.405 62.500 63.100 -0.325 0.000 0.791 427 P CB 0.817 32.306 31.700 -0.353 0.000 0.978 428 I N 0.429 120.952 120.570 -0.079 0.000 2.404 428 I HA 0.453 4.623 4.170 -0.001 0.000 0.293 428 I C 0.488 176.575 176.117 -0.050 0.000 0.992 428 I CA -0.763 60.495 61.300 -0.071 0.000 1.149 428 I CB 1.337 39.296 38.000 -0.067 0.000 1.315 428 I HN 0.414 nan 8.210 nan 0.000 0.446 429 A N 6.712 129.512 122.820 -0.032 0.000 2.322 429 A HA 0.628 4.948 4.320 -0.001 0.000 0.327 429 A C -0.071 177.557 177.584 0.073 0.000 1.134 429 A CA -0.726 51.298 52.037 -0.023 0.000 0.831 429 A CB 1.146 20.117 19.000 -0.048 0.000 1.288 429 A HN 0.692 nan 8.150 nan 0.000 0.472 430 K N -0.304 120.168 120.400 0.121 0.000 2.180 430 K HA 0.366 4.686 4.320 -0.001 0.000 0.251 430 K C -0.517 176.085 176.600 0.004 0.000 1.014 430 K CA -0.199 56.134 56.287 0.077 0.000 0.913 430 K CB 0.764 33.323 32.500 0.099 0.000 1.008 430 K HN 0.346 nan 8.250 nan 0.000 0.490 431 V N 2.586 122.493 119.914 -0.012 0.000 2.071 431 V HA 0.079 4.199 4.120 -0.001 0.000 0.254 431 V C -0.264 175.782 176.094 -0.081 0.000 1.456 431 V CA -0.156 62.108 62.300 -0.061 0.000 1.383 431 V CB -0.738 31.065 31.823 -0.033 0.000 1.433 431 V HN 0.702 nan 8.190 nan 0.000 0.499 432 S N 1.637 117.275 115.700 -0.104 0.000 2.603 432 S HA 0.557 5.027 4.470 -0.001 0.000 0.274 432 S C 1.083 175.599 174.600 -0.140 0.000 1.168 432 S CA 0.061 58.202 58.200 -0.098 0.000 0.963 432 S CB 1.794 64.972 63.200 -0.038 0.000 1.078 432 S HN 0.587 nan 8.310 nan 0.000 0.477 433 G N 2.720 111.420 108.800 -0.167 0.000 2.513 433 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.219 433 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.219 433 G C 1.033 175.868 174.900 -0.108 0.000 1.160 433 G CA 1.453 46.442 45.100 -0.185 0.000 0.767 433 G HN 0.926 nan 8.290 nan 0.000 0.571 434 E N 0.282 120.451 120.200 -0.051 0.000 2.038 434 E HA -0.200 4.150 4.350 -0.001 0.000 0.195 434 E C 2.058 178.695 176.600 0.062 0.000 1.000 434 E CA 1.648 58.052 56.400 0.006 0.000 0.803 434 E CB -0.334 29.373 29.700 0.012 0.000 0.750 434 E HN 0.404 nan 8.360 nan 0.000 0.448 435 D N -0.699 119.748 120.400 0.077 0.000 2.144 435 D HA -0.096 4.544 4.640 -0.001 0.000 0.199 435 D C 1.768 178.162 176.300 0.156 0.000 0.984 435 D CA 1.590 55.714 54.000 0.207 0.000 0.834 435 D CB -0.136 40.791 40.800 0.212 0.000 0.955 435 D HN 0.324 nan 8.370 nan 0.000 0.465 436 A N -0.123 122.678 122.820 -0.032 0.000 1.897 436 A HA -0.075 4.245 4.320 -0.001 0.000 0.215 436 A C 2.115 179.694 177.584 -0.007 0.000 1.181 436 A CA 0.951 52.894 52.037 -0.155 0.000 0.620 436 A CB -0.397 18.267 19.000 -0.561 0.000 0.821 436 A HN 0.169 nan 8.150 nan 0.000 0.443 437 M N -1.055 118.542 119.600 -0.004 0.000 2.080 437 M HA -0.142 4.337 4.480 -0.001 0.000 0.260 437 M C 2.348 178.770 176.300 0.205 0.000 1.068 437 M CA 2.018 57.393 55.300 0.125 0.000 1.109 437 M CB -1.119 31.528 32.600 0.077 0.000 1.342 437 M HN 0.643 nan 8.290 nan 0.000 0.405 438 M N -0.242 119.480 119.600 0.203 0.000 2.080 438 M HA -0.276 4.204 4.480 -0.001 0.000 0.260 438 M C 2.225 178.733 176.300 0.347 0.000 1.068 438 M CA 1.808 57.284 55.300 0.294 0.000 1.109 438 M CB -0.242 32.589 32.600 0.386 0.000 1.342 438 M HN 0.264 nan 8.290 nan 0.000 0.405 439 Q N -1.067 118.840 119.800 0.178 0.000 2.084 439 Q HA -0.236 4.103 4.340 -0.001 0.000 0.202 439 Q C 1.954 178.063 176.000 0.181 0.000 0.978 439 Q CA 1.864 57.571 55.803 -0.160 0.000 0.844 439 Q CB -0.328 28.081 28.738 -0.548 0.000 0.898 439 Q HN 0.669 nan 8.270 nan 0.000 0.426 440 Y N 0.528 120.917 120.300 0.148 0.000 2.053 440 Y HA -0.307 4.243 4.550 -0.001 0.000 0.277 440 Y C 2.037 177.912 175.900 -0.043 0.000 1.159 440 Y CA 1.626 59.774 58.100 0.079 0.000 1.125 440 Y CB -0.913 37.618 38.460 0.118 0.000 0.969 440 Y HN 0.180 nan 8.280 nan 0.000 0.492 441 A N -0.448 122.313 122.820 -0.097 0.000 1.865 441 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 441 A C 2.479 180.010 177.584 -0.089 0.000 1.191 441 A CA 2.490 54.423 52.037 -0.174 0.000 0.623 441 A CB -1.470 17.514 19.000 -0.027 0.000 0.826 441 A HN 0.338 nan 8.150 nan 0.000 0.444 442 V N 0.040 119.982 119.914 0.047 0.000 2.278 442 V HA -0.306 3.814 4.120 -0.001 0.000 0.251 442 V C 2.712 178.817 176.094 0.018 0.000 1.062 442 V CA 2.675 65.027 62.300 0.085 0.000 1.038 442 V CB -1.263 30.708 31.823 0.246 0.000 0.646 442 V HN 0.685 nan 8.190 nan 0.000 0.447 443 T N -1.506 113.054 114.554 0.009 0.000 3.014 443 T HA -0.096 4.254 4.350 -0.001 0.000 0.263 443 T C 1.890 176.580 174.700 -0.016 0.000 1.078 443 T CA 1.043 63.151 62.100 0.013 0.000 1.135 443 T CB -0.005 68.953 68.868 0.149 0.000 0.895 443 T HN 0.417 nan 8.240 nan 0.000 0.480 444 K N 1.267 121.541 120.400 -0.209 0.000 2.062 444 K HA 0.003 4.323 4.320 -0.001 0.000 0.205 444 K C 2.343 178.880 176.600 -0.105 0.000 1.051 444 K CA 0.934 57.059 56.287 -0.269 0.000 0.941 444 K CB -0.001 32.109 32.500 -0.649 0.000 0.719 444 K HN 0.118 nan 8.250 nan 0.000 0.440 445 K N 0.471 120.815 120.400 -0.093 0.000 2.020 445 K HA -0.154 4.166 4.320 -0.001 0.000 0.212 445 K C 2.041 178.659 176.600 0.030 0.000 1.050 445 K CA 1.484 57.757 56.287 -0.024 0.000 0.929 445 K CB 0.084 32.578 32.500 -0.010 0.000 0.714 445 K HN -0.016 nan 8.250 nan 0.000 0.443 446 R N 0.034 120.547 120.500 0.022 0.000 2.148 446 R HA -0.027 4.313 4.340 -0.001 0.000 0.223 446 R C 2.405 178.772 176.300 0.111 0.000 1.088 446 R CA 0.834 56.970 56.100 0.060 0.000 0.985 446 R CB -1.062 29.183 30.300 -0.092 0.000 0.880 446 R HN 0.359 nan 8.270 nan 0.000 0.451 447 C N 0.859 120.207 119.300 0.079 0.000 2.446 447 C HA -0.064 4.395 4.460 -0.001 0.000 0.277 447 C C 2.706 177.770 174.990 0.123 0.000 1.275 447 C CA 0.549 59.635 59.018 0.113 0.000 1.727 447 C CB -0.408 27.428 27.740 0.160 0.000 2.010 447 C HN 0.419 nan 8.230 nan 0.000 0.486 448 Q N 1.048 120.906 119.800 0.098 0.000 1.985 448 Q HA -0.188 4.152 4.340 -0.001 0.000 0.207 448 Q C 1.967 178.023 176.000 0.093 0.000 0.996 448 Q CA 1.733 57.587 55.803 0.085 0.000 0.851 448 Q CB -0.786 27.985 28.738 0.056 0.000 0.921 448 Q HN 0.665 nan 8.270 nan 0.000 0.418 449 E N -0.217 120.052 120.200 0.114 0.000 2.136 449 E HA -0.234 4.115 4.350 -0.001 0.000 0.202 449 E C 1.509 178.159 176.600 0.083 0.000 1.019 449 E CA 1.316 57.781 56.400 0.108 0.000 0.819 449 E CB -0.169 29.663 29.700 0.221 0.000 0.739 449 E HN 0.375 nan 8.360 nan 0.000 0.458 450 A N -0.232 122.701 122.820 0.189 0.000 2.208 450 A HA 0.262 4.582 4.320 -0.001 0.000 0.209 450 A C 1.710 179.356 177.584 0.103 0.000 1.161 450 A CA 0.805 52.946 52.037 0.173 0.000 0.782 450 A CB -0.135 19.044 19.000 0.298 0.000 0.816 450 A HN 0.353 nan 8.150 nan 0.000 0.477 451 G N -1.308 107.548 108.800 0.093 0.000 2.143 451 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.248 451 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.248 451 G C 0.013 174.984 174.900 0.118 0.000 0.991 451 G CA 0.390 45.542 45.100 0.087 0.000 0.689 451 G HN 0.374 nan 8.290 nan 0.000 0.522 452 L N 0.524 121.828 121.223 0.135 0.000 2.344 452 L HA 0.401 4.741 4.340 -0.001 0.000 0.272 452 L C 0.285 177.256 176.870 0.168 0.000 1.035 452 L CA -0.651 54.285 54.840 0.160 0.000 0.807 452 L CB 0.932 43.076 42.059 0.142 0.000 1.237 452 L HN 0.098 nan 8.230 nan 0.000 0.442 453 D N 1.313 121.838 120.400 0.208 0.000 2.372 453 D HA 0.073 4.712 4.640 -0.001 0.000 0.243 453 D C -0.520 175.833 176.300 0.089 0.000 1.121 453 D CA 0.149 54.256 54.000 0.178 0.000 0.898 453 D CB 1.413 42.349 40.800 0.227 0.000 1.202 453 D HN 0.193 nan 8.370 nan 0.000 0.428 454 F N 2.445 122.357 119.950 -0.063 0.000 2.424 454 F HA 0.353 4.880 4.527 -0.001 0.000 0.356 454 F C -0.480 175.114 175.800 -0.343 0.000 1.110 454 F CA -0.330 57.575 58.000 -0.159 0.000 1.161 454 F CB 0.212 39.134 39.000 -0.131 0.000 1.115 454 F HN 0.143 nan 8.300 nan 0.000 0.507 455 I N 5.693 125.614 120.570 -1.082 0.000 2.533 455 I HA 0.795 4.964 4.170 -0.001 0.000 0.290 455 I C -0.020 175.452 176.117 -1.075 0.000 1.056 455 I CA -0.677 60.045 61.300 -0.963 0.000 1.057 455 I CB 1.870 39.455 38.000 -0.691 0.000 1.240 455 I HN 0.787 nan 8.210 nan 0.000 0.423 456 G N 2.712 111.067 108.800 -0.742 0.000 2.506 456 G HA2 0.662 4.622 3.960 -0.001 0.000 0.292 456 G HA3 0.662 4.622 3.960 -0.001 0.000 0.292 456 G C -1.443 173.387 174.900 -0.118 0.000 1.425 456 G CA -0.569 44.284 45.100 -0.410 0.000 0.788 456 G HN 0.510 nan 8.290 nan 0.000 0.490 457 T N -0.849 113.665 114.554 -0.067 0.000 2.908 457 T HA 0.699 5.048 4.350 -0.001 0.000 0.290 457 T C -1.058 173.602 174.700 -0.067 0.000 1.034 457 T CA -0.576 61.541 62.100 0.029 0.000 1.010 457 T CB 1.871 70.745 68.868 0.010 0.000 1.068 457 T HN 0.314 nan 8.240 nan 0.000 0.481 458 F N 1.969 121.976 119.950 0.095 0.000 2.410 458 F HA 0.497 5.024 4.527 -0.001 0.000 0.349 458 F C 1.294 177.142 175.800 0.080 0.000 1.117 458 F CA -0.701 57.312 58.000 0.021 0.000 1.104 458 F CB 1.477 40.413 39.000 -0.106 0.000 1.122 458 F HN 0.679 nan 8.300 nan 0.000 0.483 459 T N 0.411 115.118 114.554 0.255 0.000 2.767 459 T HA 0.542 4.891 4.350 -0.001 0.000 0.284 459 T C -0.561 174.245 174.700 0.176 0.000 0.973 459 T CA -0.813 61.408 62.100 0.201 0.000 0.996 459 T CB 1.095 70.043 68.868 0.133 0.000 0.927 459 T HN 0.289 nan 8.240 nan 0.000 0.456 460 V N 4.684 124.708 119.914 0.183 0.000 2.267 460 V HA 0.460 4.579 4.120 -0.001 0.000 0.254 460 V C 1.483 177.644 176.094 0.111 0.000 1.144 460 V CA -0.491 61.904 62.300 0.158 0.000 0.992 460 V CB -0.361 31.588 31.823 0.210 0.000 1.199 460 V HN 1.158 nan 8.190 nan 0.000 0.493 461 G N 2.750 111.600 108.800 0.084 0.000 2.716 461 G HA2 0.208 4.168 3.960 -0.001 0.000 0.251 461 G HA3 0.208 4.168 3.960 -0.001 0.000 0.251 461 G C 0.796 175.741 174.900 0.075 0.000 1.224 461 G CA -0.214 44.923 45.100 0.062 0.000 0.891 461 G HN 0.639 nan 8.290 nan 0.000 0.561 462 M N -0.609 119.030 119.600 0.065 0.000 2.117 462 M HA 0.014 4.494 4.480 -0.001 0.000 0.262 462 M C 2.124 178.458 176.300 0.056 0.000 1.065 462 M CA 1.824 57.162 55.300 0.063 0.000 1.114 462 M CB 0.021 32.655 32.600 0.056 0.000 1.361 462 M HN 0.490 nan 8.290 nan 0.000 0.408 463 R N -0.590 119.942 120.500 0.054 0.000 2.549 463 R HA 0.199 4.539 4.340 -0.001 0.000 0.361 463 R C -0.904 175.425 176.300 0.047 0.000 0.969 463 R CA 0.070 56.196 56.100 0.043 0.000 1.158 463 R CB 0.701 31.025 30.300 0.039 0.000 1.456 463 R HN 0.453 nan 8.270 nan 0.000 0.540 464 E N -0.166 120.072 120.200 0.063 0.000 2.408 464 E HA 0.427 4.777 4.350 -0.001 0.000 0.275 464 E C -0.943 175.717 176.600 0.101 0.000 0.935 464 E CA -0.787 55.656 56.400 0.072 0.000 0.775 464 E CB 1.533 31.275 29.700 0.071 0.000 1.277 464 E HN -0.135 nan 8.360 nan 0.000 0.455 465 M N 1.770 121.432 119.600 0.104 0.000 2.311 465 M HA 0.385 4.864 4.480 -0.001 0.000 0.325 465 M C -1.206 175.213 176.300 0.197 0.000 1.061 465 M CA -0.934 54.470 55.300 0.173 0.000 0.957 465 M CB 1.673 34.370 32.600 0.163 0.000 1.646 465 M HN 0.587 nan 8.290 nan 0.000 0.434 466 H N 1.457 120.528 119.070 0.002 0.000 2.690 466 H HA 0.195 4.750 4.556 -0.001 0.000 0.314 466 H C -0.549 174.814 175.328 0.058 0.000 1.069 466 H CA 0.276 56.283 56.048 -0.068 0.000 1.436 466 H CB 0.146 29.750 29.762 -0.263 0.000 1.462 466 H HN 0.336 nan 8.280 nan 0.000 0.511 467 H N 4.991 124.054 119.070 -0.011 0.000 2.690 467 H HA 0.174 4.730 4.556 -0.001 0.000 0.280 467 H C -0.776 174.467 175.328 -0.141 0.000 1.138 467 H CA -1.242 54.693 56.048 -0.189 0.000 1.241 467 H CB -0.199 29.418 29.762 -0.242 0.000 1.394 467 H HN 0.429 nan 8.280 nan 0.000 0.489 468 I N 7.018 127.655 120.570 0.111 0.000 2.260 468 I HA 0.046 4.216 4.170 -0.001 0.000 0.297 468 I C 0.279 176.396 176.117 -0.000 0.000 1.143 468 I CA -0.576 60.757 61.300 0.055 0.000 1.271 468 I CB -0.101 37.908 38.000 0.015 0.000 1.461 468 I HN 0.229 nan 8.210 nan 0.000 0.530 469 V N 5.861 125.737 119.914 -0.064 0.000 2.381 469 V HA -0.008 4.111 4.120 -0.001 0.000 0.257 469 V C 0.552 176.625 176.094 -0.035 0.000 1.057 469 V CA -0.194 62.025 62.300 -0.135 0.000 1.013 469 V CB 0.142 31.974 31.823 0.015 0.000 1.069 469 V HN 0.754 nan 8.190 nan 0.000 0.484 470 C N 7.109 126.295 119.300 -0.190 0.000 2.305 470 C HA 0.355 4.815 4.460 -0.001 0.000 0.378 470 C C 0.859 175.760 174.990 -0.149 0.000 1.047 470 C CA -0.989 57.939 59.018 -0.150 0.000 1.385 470 C CB -1.888 25.612 27.740 -0.400 0.000 1.825 470 C HN 0.658 nan 8.230 nan 0.000 0.508 471 I N 3.161 123.701 120.570 -0.050 0.000 2.483 471 I HA 0.113 4.282 4.170 -0.001 0.000 0.291 471 I C 0.494 176.723 176.117 0.186 0.000 1.112 471 I CA 0.630 61.963 61.300 0.055 0.000 1.350 471 I CB 0.143 38.188 38.000 0.074 0.000 1.419 471 I HN 0.456 nan 8.210 nan 0.000 0.523 472 V N 8.869 128.901 119.914 0.197 0.000 2.483 472 V HA 0.705 4.825 4.120 -0.001 0.000 0.295 472 V C -0.674 175.581 176.094 0.269 0.000 1.035 472 V CA -0.321 62.105 62.300 0.210 0.000 0.896 472 V CB 1.276 33.251 31.823 0.254 0.000 0.986 472 V HN 0.554 nan 8.190 nan 0.000 0.447 473 F N 3.179 123.183 119.950 0.090 0.000 2.626 473 F HA 0.614 5.141 4.527 -0.001 0.000 0.311 473 F C -0.703 175.114 175.800 0.029 0.000 1.088 473 F CA -1.380 56.661 58.000 0.069 0.000 0.949 473 F CB 1.438 40.474 39.000 0.060 0.000 1.322 473 F HN 0.483 nan 8.300 nan 0.000 0.461 474 N N 1.934 120.752 118.700 0.196 0.000 2.448 474 N HA 0.118 4.857 4.740 -0.001 0.000 0.250 474 N C 0.567 176.185 175.510 0.181 0.000 1.136 474 N CA -0.367 52.731 53.050 0.080 0.000 0.953 474 N CB 0.824 39.357 38.487 0.077 0.000 1.251 474 N HN 0.822 nan 8.380 nan 0.000 0.502 475 K N 2.056 122.473 120.400 0.028 0.000 2.585 475 K HA -0.058 4.262 4.320 -0.001 0.000 0.194 475 K C 0.356 177.110 176.600 0.256 0.000 1.037 475 K CA 1.096 57.476 56.287 0.156 0.000 0.964 475 K CB 0.139 32.501 32.500 -0.229 0.000 0.787 475 K HN 0.343 nan 8.250 nan 0.000 0.488 476 K N 0.728 121.227 120.400 0.165 0.000 2.373 476 K HA 0.040 4.360 4.320 -0.001 0.000 0.202 476 K C -0.546 176.125 176.600 0.117 0.000 1.025 476 K CA -0.082 56.293 56.287 0.146 0.000 1.115 476 K CB 0.510 33.066 32.500 0.094 0.000 0.858 476 K HN 0.108 nan 8.250 nan 0.000 0.525 477 D N 1.229 121.709 120.400 0.134 0.000 2.473 477 D HA 0.125 4.765 4.640 -0.001 0.000 0.226 477 D C 0.912 177.274 176.300 0.103 0.000 1.089 477 D CA -0.322 53.740 54.000 0.103 0.000 0.883 477 D CB 0.824 41.685 40.800 0.101 0.000 1.029 477 D HN -0.097 nan 8.370 nan 0.000 0.517 478 L N 3.628 124.896 121.223 0.074 0.000 2.131 478 L HA -0.081 4.259 4.340 -0.001 0.000 0.210 478 L C 2.334 179.226 176.870 0.036 0.000 1.092 478 L CA 0.882 55.755 54.840 0.055 0.000 0.759 478 L CB -0.387 41.693 42.059 0.035 0.000 0.903 478 L HN 0.498 nan 8.230 nan 0.000 0.435 479 I N -0.591 119.998 120.570 0.032 0.000 2.286 479 I HA -0.287 3.883 4.170 -0.001 0.000 0.248 479 I C 2.722 178.853 176.117 0.024 0.000 1.115 479 I CA 1.424 62.735 61.300 0.018 0.000 1.392 479 I CB -0.239 37.768 38.000 0.012 0.000 1.065 479 I HN 0.422 nan 8.210 nan 0.000 0.418 480 Q N 1.140 120.969 119.800 0.048 0.000 2.163 480 Q HA -0.141 4.199 4.340 -0.001 0.000 0.198 480 Q C 2.106 178.115 176.000 0.014 0.000 0.954 480 Q CA 0.920 56.758 55.803 0.060 0.000 0.851 480 Q CB 0.230 29.035 28.738 0.112 0.000 0.928 480 Q HN 0.386 nan 8.270 nan 0.000 0.459 481 K N -0.009 120.395 120.400 0.006 0.000 2.147 481 K HA -0.134 4.185 4.320 -0.001 0.000 0.205 481 K C 2.103 178.649 176.600 -0.089 0.000 1.049 481 K CA 1.170 57.388 56.287 -0.115 0.000 0.936 481 K CB -0.000 32.498 32.500 -0.004 0.000 0.722 481 K HN 0.121 nan 8.250 nan 0.000 0.446 482 R N 0.664 121.153 120.500 -0.019 0.000 2.115 482 R HA -0.002 4.337 4.340 -0.001 0.000 0.226 482 R C 2.076 178.409 176.300 0.054 0.000 1.100 482 R CA 0.878 56.984 56.100 0.011 0.000 0.980 482 R CB 0.083 30.387 30.300 0.008 0.000 0.875 482 R HN 0.070 nan 8.270 nan 0.000 0.445 483 K N 0.248 120.673 120.400 0.042 0.000 2.155 483 K HA -0.037 4.282 4.320 -0.001 0.000 0.203 483 K C 1.991 178.675 176.600 0.139 0.000 1.052 483 K CA 0.867 57.213 56.287 0.099 0.000 0.948 483 K CB 0.086 32.619 32.500 0.055 0.000 0.728 483 K HN 0.034 nan 8.250 nan 0.000 0.448 484 V N 1.586 121.502 119.914 0.003 0.000 2.358 484 V HA -0.244 3.876 4.120 -0.001 0.000 0.246 484 V C 2.331 178.391 176.094 -0.056 0.000 1.047 484 V CA 1.566 63.815 62.300 -0.086 0.000 1.035 484 V CB -0.386 31.222 31.823 -0.357 0.000 0.658 484 V HN 0.348 nan 8.190 nan 0.000 0.452 485 Q N -1.433 118.370 119.800 0.006 0.000 2.045 485 Q HA -0.310 4.030 4.340 -0.001 0.000 0.206 485 Q C 2.054 178.138 176.000 0.141 0.000 0.991 485 Q CA 2.625 58.507 55.803 0.132 0.000 0.851 485 Q CB -0.320 28.493 28.738 0.125 0.000 0.911 485 Q HN 0.800 nan 8.270 nan 0.000 0.418 486 W N 0.919 122.213 121.300 -0.009 0.000 2.338 486 W HA -0.254 4.406 4.660 -0.000 0.000 0.304 486 W C 1.823 178.310 176.519 -0.054 0.000 1.212 486 W CA 1.391 58.727 57.345 -0.015 0.000 1.264 486 W CB -0.406 29.043 29.460 -0.019 0.000 1.142 486 W HN 0.210 nan 8.180 nan 0.000 0.512 487 L N 0.884 122.094 121.223 -0.022 0.000 1.970 487 L HA -0.208 4.131 4.340 -0.001 0.000 0.212 487 L C 2.538 179.127 176.870 -0.469 0.000 1.071 487 L CA 2.830 57.495 54.840 -0.292 0.000 0.751 487 L CB -1.448 40.575 42.059 -0.060 0.000 0.889 487 L HN 0.164 nan 8.230 nan 0.000 0.432 488 M N -0.192 119.176 119.600 -0.388 0.000 2.110 488 M HA -0.258 4.222 4.480 -0.001 0.000 0.257 488 M C 2.353 178.368 176.300 -0.474 0.000 1.071 488 M CA 1.956 56.928 55.300 -0.548 0.000 1.096 488 M CB -0.463 31.606 32.600 -0.885 0.000 1.300 488 M HN 0.203 nan 8.290 nan 0.000 0.411 489 R N -1.397 118.922 120.500 -0.301 0.000 2.193 489 R HA -0.078 4.262 4.340 -0.001 0.000 0.229 489 R C 1.872 178.016 176.300 -0.260 0.000 1.110 489 R CA 1.695 57.708 56.100 -0.146 0.000 0.988 489 R CB -0.723 29.582 30.300 0.007 0.000 0.871 489 R HN 0.493 nan 8.270 nan 0.000 0.458 490 T N 1.236 115.488 114.554 -0.504 0.000 2.939 490 T HA 0.053 4.403 4.350 -0.001 0.000 0.254 490 T C 1.983 176.440 174.700 -0.406 0.000 1.041 490 T CA 0.413 62.190 62.100 -0.539 0.000 1.142 490 T CB -0.028 68.237 68.868 -1.005 0.000 0.874 490 T HN 0.071 nan 8.240 nan 0.000 0.452 491 L N 0.661 121.563 121.223 -0.535 0.000 2.012 491 L HA -0.098 4.242 4.340 -0.001 0.000 0.210 491 L C 2.453 179.141 176.870 -0.302 0.000 1.073 491 L CA 1.353 55.824 54.840 -0.615 0.000 0.748 491 L CB -0.625 40.625 42.059 -1.348 0.000 0.891 491 L HN 0.243 nan 8.230 nan 0.000 0.431 492 I N -0.138 120.338 120.570 -0.157 0.000 2.113 492 I HA -0.396 3.774 4.170 -0.001 0.000 0.242 492 I C 2.168 178.355 176.117 0.116 0.000 1.064 492 I CA 1.645 63.060 61.300 0.192 0.000 1.320 492 I CB -0.431 37.666 38.000 0.162 0.000 1.028 492 I HN 0.323 nan 8.210 nan 0.000 0.406 493 D N 0.543 120.951 120.400 0.013 0.000 2.097 493 D HA -0.170 4.469 4.640 -0.001 0.000 0.195 493 D C 1.862 178.173 176.300 0.019 0.000 0.989 493 D CA 1.255 55.261 54.000 0.011 0.000 0.827 493 D CB -0.429 40.353 40.800 -0.028 0.000 0.966 493 D HN 0.262 nan 8.370 nan 0.000 0.456 494 D N -0.330 120.069 120.400 -0.002 0.000 2.104 494 D HA -0.117 4.523 4.640 -0.001 0.000 0.194 494 D C 2.212 178.587 176.300 0.126 0.000 0.994 494 D CA 0.651 54.672 54.000 0.034 0.000 0.830 494 D CB -0.451 40.353 40.800 0.007 0.000 0.959 494 D HN 0.204 nan 8.370 nan 0.000 0.452 495 C N 0.792 120.236 119.300 0.241 0.000 2.446 495 C HA -0.012 4.448 4.460 -0.001 0.000 0.277 495 C C 2.858 177.990 174.990 0.237 0.000 1.275 495 C CA 0.617 59.915 59.018 0.467 0.000 1.727 495 C CB -1.037 27.096 27.740 0.655 0.000 2.010 495 C HN 0.375 nan 8.230 nan 0.000 0.486 496 A N 0.917 123.817 122.820 0.132 0.000 1.869 496 A HA -0.129 4.190 4.320 -0.001 0.000 0.218 496 A C 2.379 179.931 177.584 -0.054 0.000 1.203 496 A CA 2.545 54.590 52.037 0.012 0.000 0.638 496 A CB -1.203 17.807 19.000 0.017 0.000 0.831 496 A HN 0.642 nan 8.150 nan 0.000 0.450 497 A N -0.667 122.132 122.820 -0.036 0.000 2.076 497 A HA -0.144 4.175 4.320 -0.001 0.000 0.220 497 A C 1.583 179.081 177.584 -0.144 0.000 1.160 497 A CA 1.488 53.485 52.037 -0.066 0.000 0.653 497 A CB -0.497 18.482 19.000 -0.034 0.000 0.801 497 A HN 0.620 nan 8.150 nan 0.000 0.455 498 N N -0.755 117.803 118.700 -0.237 0.000 2.251 498 N HA 0.207 4.947 4.740 -0.001 0.000 0.217 498 N C 0.782 175.810 175.510 -0.804 0.000 1.124 498 N CA 0.715 53.448 53.050 -0.528 0.000 0.843 498 N CB 0.521 38.546 38.487 -0.770 0.000 1.024 498 N HN 0.564 nan 8.380 nan 0.000 0.501 499 G N 0.769 109.291 108.800 -0.463 0.000 2.198 499 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.257 499 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.257 499 G C -0.633 174.052 174.900 -0.359 0.000 1.042 499 G CA -0.263 44.601 45.100 -0.394 0.000 0.791 499 G HN 0.256 nan 8.290 nan 0.000 0.502 500 W N -0.476 120.806 121.300 -0.032 0.000 2.736 500 W HA 0.715 5.374 4.660 -0.001 0.000 0.335 500 W C 0.446 176.912 176.519 -0.088 0.000 1.059 500 W CA -0.950 56.375 57.345 -0.032 0.000 1.226 500 W CB 1.995 31.475 29.460 0.034 0.000 1.416 500 W HN 0.528 nan 8.180 nan 0.000 0.505 501 G N 1.311 110.179 108.800 0.113 0.000 2.498 501 G HA2 0.529 4.489 3.960 -0.001 0.000 0.312 501 G HA3 0.529 4.489 3.960 -0.001 0.000 0.312 501 G C -1.242 173.723 174.900 0.108 0.000 1.230 501 G CA -0.582 44.508 45.100 -0.017 0.000 0.968 501 G HN 0.181 nan 8.290 nan 0.000 0.481 502 E N -0.358 119.917 120.200 0.124 0.000 2.331 502 E HA 0.212 4.562 4.350 -0.001 0.000 0.272 502 E C 0.342 177.015 176.600 0.123 0.000 1.036 502 E CA -0.451 55.964 56.400 0.025 0.000 0.864 502 E CB 1.015 30.685 29.700 -0.051 0.000 1.035 502 E HN 0.564 nan 8.360 nan 0.000 0.408 503 Y N 2.744 122.988 120.300 -0.094 0.000 2.544 503 Y HA 0.223 4.772 4.550 -0.001 0.000 0.286 503 Y C 0.348 176.171 175.900 -0.128 0.000 1.141 503 Y CA 0.061 58.088 58.100 -0.122 0.000 1.299 503 Y CB 0.401 38.715 38.460 -0.243 0.000 1.030 503 Y HN 0.401 nan 8.280 nan 0.000 0.543 504 R N 0.048 120.154 120.500 -0.657 0.000 2.728 504 R HA 0.476 4.815 4.340 -0.001 0.000 0.259 504 R C -1.805 174.230 176.300 -0.442 0.000 1.057 504 R CA 0.205 55.842 56.100 -0.771 0.000 0.908 504 R CB 0.667 30.126 30.300 -1.401 0.000 1.259 504 R HN 0.234 nan 8.270 nan 0.000 0.472 505 T N -0.917 113.440 114.554 -0.327 0.000 2.671 505 T HA 0.342 4.692 4.350 -0.001 0.000 0.300 505 T C -1.034 173.810 174.700 0.239 0.000 1.238 505 T CA -0.936 61.214 62.100 0.083 0.000 1.020 505 T CB 0.672 69.697 68.868 0.261 0.000 1.503 505 T HN 0.636 nan 8.240 nan 0.000 0.497 506 H N 0.216 119.567 119.070 0.469 0.000 2.690 506 H HA 0.300 4.855 4.556 -0.001 0.000 0.365 506 H C 1.204 176.663 175.328 0.219 0.000 1.142 506 H CA -0.227 56.083 56.048 0.436 0.000 1.417 506 H CB 0.755 30.870 29.762 0.588 0.000 1.446 506 H HN 0.594 nan 8.280 nan 0.000 0.599 507 L N 2.930 124.051 121.223 -0.169 0.000 2.081 507 L HA -0.235 4.104 4.340 -0.001 0.000 0.212 507 L C 2.502 179.329 176.870 -0.071 0.000 1.080 507 L CA 1.628 56.294 54.840 -0.290 0.000 0.754 507 L CB -0.558 40.935 42.059 -0.944 0.000 0.893 507 L HN 0.633 nan 8.230 nan 0.000 0.433 508 A N -1.364 121.548 122.820 0.154 0.000 2.235 508 A HA 0.031 4.350 4.320 -0.001 0.000 0.208 508 A C 1.376 178.572 177.584 -0.647 0.000 1.172 508 A CA 0.697 52.633 52.037 -0.168 0.000 0.786 508 A CB -0.379 18.376 19.000 -0.408 0.000 0.804 508 A HN 0.425 nan 8.150 nan 0.000 0.479 509 F N -2.262 117.863 119.950 0.291 0.000 2.746 509 F HA 0.318 4.845 4.527 -0.001 0.000 0.320 509 F C 1.792 177.713 175.800 0.203 0.000 1.097 509 F CA -0.272 57.866 58.000 0.230 0.000 1.195 509 F CB -0.330 38.802 39.000 0.221 0.000 1.056 509 F HN 0.028 nan 8.300 nan 0.000 0.562 510 M N 0.289 120.047 119.600 0.264 0.000 2.073 510 M HA -0.233 4.246 4.480 -0.001 0.000 0.258 510 M C 1.730 178.155 176.300 0.208 0.000 1.070 510 M CA 1.857 57.269 55.300 0.187 0.000 1.103 510 M CB -0.410 32.250 32.600 0.099 0.000 1.321 510 M HN 0.072 nan 8.290 nan 0.000 0.405 511 D N -0.022 120.529 120.400 0.250 0.000 2.087 511 D HA -0.227 4.412 4.640 -0.001 0.000 0.192 511 D C 1.905 178.347 176.300 0.236 0.000 0.993 511 D CA 1.483 55.646 54.000 0.273 0.000 0.828 511 D CB -0.527 40.460 40.800 0.311 0.000 0.968 511 D HN 0.488 nan 8.370 nan 0.000 0.448 512 Q N 0.095 120.045 119.800 0.249 0.000 2.061 512 Q HA -0.154 4.186 4.340 -0.001 0.000 0.204 512 Q C 2.476 178.622 176.000 0.243 0.000 0.984 512 Q CA 0.981 56.927 55.803 0.238 0.000 0.846 512 Q CB -0.112 28.791 28.738 0.275 0.000 0.902 512 Q HN 0.238 nan 8.270 nan 0.000 0.421 513 I N -0.006 120.730 120.570 0.276 0.000 2.179 513 I HA -0.305 3.865 4.170 -0.001 0.000 0.242 513 I C 2.430 178.748 176.117 0.334 0.000 1.088 513 I CA 1.037 62.511 61.300 0.290 0.000 1.357 513 I CB -0.132 38.035 38.000 0.278 0.000 1.051 513 I HN 0.355 nan 8.210 nan 0.000 0.409 514 M N 0.733 120.493 119.600 0.268 0.000 2.149 514 M HA -0.251 4.229 4.480 -0.001 0.000 0.261 514 M C 2.019 178.491 176.300 0.287 0.000 1.064 514 M CA 1.832 57.291 55.300 0.264 0.000 1.102 514 M CB -0.470 32.238 32.600 0.180 0.000 1.369 514 M HN 0.117 nan 8.290 nan 0.000 0.408 515 E N -1.013 119.324 120.200 0.227 0.000 2.401 515 E HA -0.128 4.222 4.350 -0.001 0.000 0.199 515 E C 1.618 178.325 176.600 0.177 0.000 1.023 515 E CA 1.580 58.090 56.400 0.183 0.000 0.859 515 E CB -0.539 29.247 29.700 0.142 0.000 0.780 515 E HN 0.559 nan 8.360 nan 0.000 0.523 516 T N -0.722 113.954 114.554 0.204 0.000 2.896 516 T HA -0.066 4.283 4.350 -0.001 0.000 0.263 516 T C -0.134 174.583 174.700 0.029 0.000 1.050 516 T CA 0.603 62.763 62.100 0.100 0.000 1.140 516 T CB -0.222 68.693 68.868 0.079 0.000 0.877 516 T HN 0.186 nan 8.240 nan 0.000 0.457 517 Y N 3.239 123.596 120.300 0.095 0.000 2.930 517 Y HA 0.229 4.779 4.550 -0.001 0.000 0.386 517 Y C 1.093 177.083 175.900 0.150 0.000 1.185 517 Y CA -0.968 57.181 58.100 0.081 0.000 1.922 517 Y CB -0.685 37.776 38.460 0.002 0.000 2.006 517 Y HN 0.257 nan 8.280 nan 0.000 0.431 518 N N -1.309 117.531 118.700 0.233 0.000 2.273 518 N HA -0.067 4.673 4.740 -0.001 0.000 0.231 518 N C -0.144 175.480 175.510 0.190 0.000 1.134 518 N CA -0.548 52.626 53.050 0.206 0.000 0.856 518 N CB -0.328 38.241 38.487 0.136 0.000 1.068 518 N HN 0.428 nan 8.380 nan 0.000 0.510 519 W N 2.901 124.243 121.300 0.069 0.000 2.480 519 W HA -0.023 4.636 4.660 -0.001 0.000 0.337 519 W C 0.884 177.444 176.519 0.067 0.000 1.201 519 W CA 1.170 58.544 57.345 0.048 0.000 1.309 519 W CB -0.123 29.357 29.460 0.033 0.000 1.168 519 W HN 0.432 nan 8.180 nan 0.000 0.566 520 N N 5.344 123.520 118.700 -0.873 0.000 2.688 520 N HA -0.357 4.382 4.740 -0.001 0.000 0.258 520 N C -0.211 175.140 175.510 -0.266 0.000 1.016 520 N CA 0.869 53.463 53.050 -0.759 0.000 0.747 520 N CB -1.184 36.627 38.487 -1.126 0.000 0.895 520 N HN 0.822 nan 8.380 nan 0.000 0.543 521 N N -0.662 117.945 118.700 -0.154 0.000 2.727 521 N HA -0.197 4.543 4.740 -0.001 0.000 0.249 521 N C -0.433 175.096 175.510 0.032 0.000 1.048 521 N CA 1.287 54.312 53.050 -0.042 0.000 0.714 521 N CB -1.513 36.945 38.487 -0.049 0.000 0.959 521 N HN 0.603 nan 8.380 nan 0.000 0.544 522 S N -2.394 113.359 115.700 0.088 0.000 3.695 522 S HA -0.217 4.253 4.470 -0.001 0.000 0.310 522 S C 1.296 176.005 174.600 0.181 0.000 1.166 522 S CA 0.922 59.219 58.200 0.162 0.000 0.882 522 S CB -1.409 61.871 63.200 0.134 0.000 0.949 522 S HN 0.744 nan 8.310 nan 0.000 0.540 523 S N -0.008 115.800 115.700 0.179 0.000 2.365 523 S HA -0.174 4.296 4.470 -0.001 0.000 0.225 523 S C 1.362 176.132 174.600 0.284 0.000 1.039 523 S CA 2.030 60.351 58.200 0.201 0.000 1.033 523 S CB -0.307 63.006 63.200 0.188 0.000 0.887 523 S HN 0.643 nan 8.310 nan 0.000 0.447 524 F N 1.552 121.622 119.950 0.200 0.000 2.069 524 F HA -0.099 4.427 4.527 -0.001 0.000 0.298 524 F C 1.933 177.841 175.800 0.180 0.000 1.113 524 F CA 1.757 59.876 58.000 0.199 0.000 1.214 524 F CB -0.648 38.458 39.000 0.175 0.000 0.978 524 F HN 0.296 nan 8.300 nan 0.000 0.474 525 L N 0.714 122.056 121.223 0.197 0.000 2.046 525 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 525 L C 2.463 179.352 176.870 0.033 0.000 1.077 525 L CA 1.613 56.492 54.840 0.066 0.000 0.747 525 L CB -0.776 41.367 42.059 0.141 0.000 0.896 525 L HN -0.015 nan 8.230 nan 0.000 0.432 526 R N -1.037 119.522 120.500 0.100 0.000 2.081 526 R HA -0.186 4.154 4.340 -0.001 0.000 0.235 526 R C 2.254 178.599 176.300 0.074 0.000 1.131 526 R CA 1.804 57.963 56.100 0.098 0.000 0.960 526 R CB -1.319 29.053 30.300 0.119 0.000 0.856 526 R HN 0.450 nan 8.270 nan 0.000 0.436 527 F N 2.423 122.340 119.950 -0.055 0.000 2.186 527 F HA -0.076 4.451 4.527 -0.001 0.000 0.299 527 F C 1.908 177.609 175.800 -0.166 0.000 1.090 527 F CA 1.056 59.002 58.000 -0.091 0.000 1.307 527 F CB -0.231 38.721 39.000 -0.080 0.000 1.019 527 F HN -0.051 nan 8.300 nan 0.000 0.489 528 N N 0.846 119.353 118.700 -0.321 0.000 2.084 528 N HA -0.187 4.552 4.740 -0.001 0.000 0.190 528 N C 1.794 177.123 175.510 -0.302 0.000 1.030 528 N CA 1.744 54.538 53.050 -0.427 0.000 0.849 528 N CB -0.405 37.821 38.487 -0.436 0.000 1.012 528 N HN 0.481 nan 8.380 nan 0.000 0.423 529 E N 0.444 120.550 120.200 -0.156 0.000 2.070 529 E HA -0.146 4.203 4.350 -0.001 0.000 0.197 529 E C 2.047 178.580 176.600 -0.112 0.000 1.004 529 E CA 1.015 57.372 56.400 -0.072 0.000 0.805 529 E CB -0.046 29.679 29.700 0.041 0.000 0.744 529 E HN 0.046 nan 8.360 nan 0.000 0.451 530 V N 1.177 121.004 119.914 -0.146 0.000 2.332 530 V HA -0.282 3.838 4.120 -0.001 0.000 0.248 530 V C 2.233 178.201 176.094 -0.211 0.000 1.055 530 V CA 1.671 63.881 62.300 -0.149 0.000 1.038 530 V CB -0.382 31.364 31.823 -0.128 0.000 0.651 530 V HN 0.278 nan 8.190 nan 0.000 0.450 531 L N -0.403 120.607 121.223 -0.356 0.000 2.109 531 L HA -0.160 4.180 4.340 -0.001 0.000 0.207 531 L C 2.503 179.238 176.870 -0.225 0.000 1.086 531 L CA 1.700 56.337 54.840 -0.338 0.000 0.760 531 L CB -0.601 41.162 42.059 -0.492 0.000 0.910 531 L HN 0.303 nan 8.230 nan 0.000 0.437 532 K N 0.706 120.981 120.400 -0.208 0.000 2.002 532 K HA -0.147 4.173 4.320 -0.001 0.000 0.209 532 K C 1.843 178.388 176.600 -0.091 0.000 1.048 532 K CA 1.548 57.747 56.287 -0.147 0.000 0.930 532 K CB -0.107 32.310 32.500 -0.138 0.000 0.714 532 K HN 0.164 nan 8.250 nan 0.000 0.438 533 N N 0.352 119.010 118.700 -0.069 0.000 2.453 533 N HA -0.087 4.652 4.740 -0.001 0.000 0.183 533 N C 1.379 176.868 175.510 -0.035 0.000 1.041 533 N CA 1.059 54.090 53.050 -0.032 0.000 0.900 533 N CB -0.047 38.433 38.487 -0.013 0.000 0.961 533 N HN 0.390 nan 8.380 nan 0.000 0.443 534 A N 0.520 123.305 122.820 -0.059 0.000 1.898 534 A HA -0.034 4.285 4.320 -0.001 0.000 0.214 534 A C 2.237 179.798 177.584 -0.037 0.000 1.183 534 A CA 1.361 53.368 52.037 -0.049 0.000 0.622 534 A CB -0.332 18.627 19.000 -0.070 0.000 0.824 534 A HN 0.189 nan 8.150 nan 0.000 0.444 535 V N -3.727 116.158 119.914 -0.048 0.000 3.471 535 V HA 0.223 4.343 4.120 -0.001 0.000 0.258 535 V C 0.346 176.430 176.094 -0.017 0.000 1.192 535 V CA 1.157 63.439 62.300 -0.030 0.000 1.116 535 V CB 0.149 31.949 31.823 -0.038 0.000 0.792 535 V HN 0.299 nan 8.190 nan 0.000 0.459 536 D N 0.940 121.327 120.400 -0.021 0.000 2.613 536 D HA 0.350 4.989 4.640 -0.001 0.000 0.312 536 D C -1.628 174.678 176.300 0.010 0.000 1.202 536 D CA -1.905 52.092 54.000 -0.006 0.000 0.825 536 D CB 1.438 42.226 40.800 -0.019 0.000 1.113 536 D HN 0.177 nan 8.370 nan 0.000 0.502 537 P HA -0.147 nan 4.420 nan 0.000 0.216 537 P C 0.813 178.136 177.300 0.038 0.000 1.157 537 P CA 1.088 64.200 63.100 0.020 0.000 0.880 537 P CB 0.420 32.129 31.700 0.016 0.000 0.791 538 N N -1.186 117.543 118.700 0.048 0.000 2.398 538 N HA 0.050 4.789 4.740 -0.001 0.000 0.188 538 N C 1.171 176.744 175.510 0.104 0.000 1.122 538 N CA 1.050 54.142 53.050 0.071 0.000 0.866 538 N CB -0.403 38.127 38.487 0.072 0.000 0.970 538 N HN 0.196 nan 8.380 nan 0.000 0.462 539 G N 2.081 110.932 108.800 0.085 0.000 2.295 539 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.287 539 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.287 539 G C 0.898 175.852 174.900 0.090 0.000 1.055 539 G CA 0.703 45.855 45.100 0.087 0.000 0.922 539 G HN 0.505 nan 8.290 nan 0.000 0.503 540 I N -2.486 118.130 120.570 0.077 0.000 2.584 540 I HA 0.309 4.478 4.170 -0.001 0.000 0.255 540 I C 1.136 177.281 176.117 0.047 0.000 1.145 540 I CA 0.118 61.477 61.300 0.098 0.000 1.462 540 I CB -0.134 37.947 38.000 0.134 0.000 1.102 540 I HN 0.101 nan 8.210 nan 0.000 0.433 541 I N 3.201 123.766 120.570 -0.007 0.000 2.421 541 I HA 0.223 4.393 4.170 -0.001 0.000 0.291 541 I C 1.188 177.241 176.117 -0.107 0.000 1.089 541 I CA -0.367 60.900 61.300 -0.054 0.000 1.354 541 I CB -0.513 37.441 38.000 -0.076 0.000 1.413 541 I HN 0.414 nan 8.210 nan 0.000 0.513 542 A N 7.728 130.501 122.820 -0.078 0.000 2.511 542 A HA -0.139 4.181 4.320 -0.001 0.000 0.297 542 A C -1.975 175.522 177.584 -0.146 0.000 1.476 542 A CA -0.353 51.648 52.037 -0.061 0.000 0.757 542 A CB -1.863 16.899 19.000 -0.397 0.000 1.072 542 A HN 0.604 nan 8.150 nan 0.000 0.413 543 P HA 0.311 nan 4.420 nan 0.000 0.264 543 P C 1.220 177.980 177.300 -0.901 0.000 1.193 543 P CA 1.654 64.391 63.100 -0.605 0.000 0.763 543 P CB 0.657 31.777 31.700 -0.967 0.000 0.810 544 G N 1.705 109.668 108.800 -1.394 0.000 2.213 544 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.236 544 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.236 544 G C 0.303 174.732 174.900 -0.784 0.000 0.991 544 G CA 0.055 43.968 45.100 -1.978 0.000 0.629 544 G HN 0.724 nan 8.290 nan 0.000 0.517 545 K N 1.813 121.971 120.400 -0.403 0.000 2.511 545 K HA 0.391 4.711 4.320 -0.001 0.000 0.280 545 K C 1.292 177.746 176.600 -0.243 0.000 1.008 545 K CA 1.144 57.316 56.287 -0.192 0.000 1.050 545 K CB -0.132 32.241 32.500 -0.212 0.000 0.889 545 K HN 0.983 nan 8.250 nan 0.000 0.484 546 S N 2.648 118.258 115.700 -0.151 0.000 3.419 546 S HA -0.211 4.259 4.470 -0.001 0.000 0.350 546 S C 0.975 175.528 174.600 -0.078 0.000 1.128 546 S CA 1.208 59.343 58.200 -0.109 0.000 0.999 546 S CB -2.189 60.935 63.200 -0.127 0.000 0.923 546 S HN 1.357 nan 8.310 nan 0.000 0.522 547 G N -1.483 107.250 108.800 -0.111 0.000 2.162 547 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.260 547 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.260 547 G C 0.061 174.917 174.900 -0.073 0.000 0.976 547 G CA 0.028 45.128 45.100 -0.000 0.000 0.655 547 G HN 1.318 nan 8.290 nan 0.000 0.533 548 V N 0.415 120.169 119.914 -0.265 0.000 2.389 548 V HA 0.553 4.673 4.120 -0.001 0.000 0.264 548 V C 0.126 176.012 176.094 -0.346 0.000 1.049 548 V CA -0.348 61.834 62.300 -0.196 0.000 0.932 548 V CB 0.141 31.838 31.823 -0.210 0.000 1.011 548 V HN 0.293 nan 8.190 nan 0.000 0.475 549 W N 6.742 128.077 121.300 0.059 0.000 2.573 549 W HA 0.566 5.225 4.660 -0.001 0.000 0.326 549 W C -2.053 174.473 176.519 0.011 0.000 1.049 549 W CA -2.182 55.178 57.345 0.026 0.000 1.220 549 W CB 1.412 30.987 29.460 0.191 0.000 1.373 549 W HN 0.316 nan 8.180 nan 0.000 0.507 550 P HA 0.028 nan 4.420 nan 0.000 0.274 550 P C 0.812 178.236 177.300 0.207 0.000 1.246 550 P CA -0.032 63.155 63.100 0.145 0.000 0.795 550 P CB 1.468 33.230 31.700 0.104 0.000 1.006 551 S N 0.621 116.394 115.700 0.122 0.000 2.419 551 S HA -0.197 4.273 4.470 -0.001 0.000 0.233 551 S C 1.405 176.051 174.600 0.076 0.000 1.016 551 S CA 0.937 59.179 58.200 0.070 0.000 0.974 551 S CB -0.928 62.295 63.200 0.039 0.000 0.786 551 S HN 0.607 nan 8.310 nan 0.000 0.492 552 Q N -0.146 119.732 119.800 0.129 0.000 2.282 552 Q HA 0.118 4.458 4.340 -0.001 0.000 0.205 552 Q C -0.978 175.014 176.000 -0.013 0.000 0.915 552 Q CA -0.032 55.807 55.803 0.060 0.000 0.949 552 Q CB -0.702 28.054 28.738 0.031 0.000 1.035 552 Q HN 0.694 nan 8.270 nan 0.000 0.484 553 Y N 1.205 121.532 120.300 0.046 0.000 2.464 553 Y HA 0.268 4.817 4.550 -0.001 0.000 0.326 553 Y C 0.135 176.062 175.900 0.046 0.000 0.969 553 Y CA -1.108 57.030 58.100 0.063 0.000 1.270 553 Y CB 1.548 39.985 38.460 -0.038 0.000 1.103 553 Y HN 0.016 nan 8.280 nan 0.000 0.491 554 S N 3.086 118.889 115.700 0.172 0.000 2.596 554 S HA -0.096 4.374 4.470 -0.001 0.000 0.298 554 S C 1.306 175.921 174.600 0.025 0.000 1.255 554 S CA -0.180 58.037 58.200 0.029 0.000 1.083 554 S CB 0.242 63.441 63.200 -0.002 0.000 0.837 554 S HN 0.672 nan 8.310 nan 0.000 0.499 555 H N 4.144 123.199 119.070 -0.026 0.000 2.387 555 H HA -0.077 4.478 4.556 -0.001 0.000 0.299 555 H C 2.115 177.382 175.328 -0.103 0.000 1.099 555 H CA 1.687 57.671 56.048 -0.106 0.000 1.315 555 H CB -0.643 29.107 29.762 -0.020 0.000 1.380 555 H HN 0.494 nan 8.280 nan 0.000 0.513 556 V N 0.552 120.494 119.914 0.046 0.000 2.332 556 V HA -0.250 3.869 4.120 -0.001 0.000 0.248 556 V C 2.325 178.350 176.094 -0.114 0.000 1.055 556 V CA 2.319 64.605 62.300 -0.023 0.000 1.038 556 V CB -0.648 31.157 31.823 -0.029 0.000 0.651 556 V HN 0.505 nan 8.190 nan 0.000 0.450 557 T N -1.988 112.445 114.554 -0.201 0.000 2.851 557 T HA -0.163 4.187 4.350 -0.001 0.000 0.262 557 T C 1.485 175.848 174.700 -0.562 0.000 1.043 557 T CA 1.575 63.406 62.100 -0.448 0.000 1.140 557 T CB -0.271 68.222 68.868 -0.625 0.000 0.872 557 T HN 0.602 nan 8.240 nan 0.000 0.446 558 W N 1.267 122.411 121.300 -0.261 0.000 2.630 558 W HA 0.335 4.995 4.660 -0.000 0.000 0.271 558 W C 0.938 177.280 176.519 -0.295 0.000 1.244 558 W CA -0.614 56.480 57.345 -0.418 0.000 1.353 558 W CB 0.228 29.086 29.460 -1.004 0.000 1.080 558 W HN -0.093 nan 8.180 nan 0.000 0.594 559 K N 1.391 121.765 120.400 -0.043 0.000 2.414 559 K HA 0.229 4.549 4.320 -0.001 0.000 0.272 559 K C -0.323 176.379 176.600 0.170 0.000 0.993 559 K CA 0.253 56.613 56.287 0.122 0.000 0.964 559 K CB 0.430 32.977 32.500 0.080 0.000 0.925 559 K HN -0.102 nan 8.250 nan 0.000 0.487 560 L N 0.000 121.368 121.223 0.241 0.000 2.949 560 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 560 L CA 0.000 54.951 54.840 0.185 0.000 0.813 560 L CB 0.000 42.187 42.059 0.213 0.000 0.961 560 L HN 0.000 nan 8.230 nan 0.000 0.502