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 2cxr_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAALTRNPQF QKLLEWHRAN SANLKLRELF EADPERFNNF SLNLNTNHGH DATA SEQUENCE ILVDYSKNLV SKEVMQMLVE LAKSRGVEAA RDNMFSGSKI NYTEDRAVLH DATA SEQUENCE VALRNRSNTP IKVDGKDVMP EVNRVLDKMK SFCQRVRSGD WKGYTGKSIT DATA SEQUENCE DIINIGIGGS DLGPLMVTEA LKPYSKGGPR VWFVSNIDGT HIAKTLASLS DATA SEQUENCE PETSLFIIAS KTFTTQETIT NAETAKEWFL EAAKDPSAVA KHFVALSTNT DATA SEQUENCE AKVKEFGIDP QNMFEFWDWV GGRYSLWSAI GLSIALHVGF DHFEQLLSGA DATA SEQUENCE HWMDQHFLKT PLEKNAPVLL ALLGIWYINC YGCETHALLP YDQYMHRFAA DATA SEQUENCE YFQQGDMESN GKYITKSGAR VDHQTGPIVW GEPGTNGQHA FYQLIHQGTK DATA SEQUENCE MIPCDFLIPV QTQHPIRKGL HHKILLANFL AQTEALMKGK LPEEARKELQ DATA SEQUENCE AAGKSPEDLE KLLPHKVFEG NRPTNSIVFT KLTPFILGAL IAMYEHKIFV DATA SEQUENCE QGIMWDINSF DQWGVELGKQ LAKKIEPELE GSSAVTSHDS STNGLISFIK DATA SEQUENCE QQRDTKL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.339 176.300 0.065 0.000 1.140 1 M CA 0.000 55.332 55.300 0.054 0.000 0.988 1 M CB 0.000 32.641 32.600 0.069 0.000 1.302 2 A N -0.111 122.768 122.820 0.099 0.000 2.346 2 A HA 0.924 5.288 4.320 0.074 0.000 0.313 2 A C 0.769 178.415 177.584 0.103 0.000 1.140 2 A CA -0.050 52.060 52.037 0.122 0.000 0.826 2 A CB 1.294 20.414 19.000 0.199 0.000 1.332 2 A HN 1.187 nan 8.150 nan 0.000 0.457 3 A N -0.170 122.706 122.820 0.092 0.000 1.917 3 A HA -0.095 4.269 4.320 0.074 0.000 0.219 3 A C 1.952 179.536 177.584 0.000 0.000 1.182 3 A CA 2.168 54.234 52.037 0.049 0.000 0.633 3 A CB -0.804 18.224 19.000 0.047 0.000 0.819 3 A HN 1.351 nan 8.150 nan 0.000 0.448 4 L N 0.350 121.528 121.223 -0.074 0.000 2.017 4 L HA -0.130 4.255 4.340 0.074 0.000 0.208 4 L C 2.726 179.427 176.870 -0.282 0.000 1.073 4 L CA 3.031 57.684 54.840 -0.310 0.000 0.745 4 L CB -0.979 40.663 42.059 -0.696 0.000 0.894 4 L HN 0.555 nan 8.230 nan 0.000 0.432 5 T N -3.409 111.054 114.554 -0.151 0.000 2.951 5 T HA -0.127 4.267 4.350 0.074 0.000 0.268 5 T C 1.976 176.782 174.700 0.176 0.000 1.073 5 T CA 0.975 63.139 62.100 0.106 0.000 1.134 5 T CB -0.454 68.512 68.868 0.164 0.000 0.884 5 T HN 0.340 nan 8.240 nan 0.000 0.479 6 R N 1.281 121.845 120.500 0.106 0.000 2.240 6 R HA 0.163 4.547 4.340 0.074 0.000 0.203 6 R C 0.954 177.314 176.300 0.099 0.000 1.011 6 R CA 0.007 56.164 56.100 0.095 0.000 1.007 6 R CB -0.109 30.231 30.300 0.067 0.000 0.911 6 R HN 0.367 nan 8.270 nan 0.000 0.468 7 N N 1.926 120.694 118.700 0.113 0.000 2.452 7 N HA -0.003 4.782 4.740 0.074 0.000 0.266 7 N C -1.783 173.816 175.510 0.149 0.000 1.175 7 N CA -1.307 51.811 53.050 0.113 0.000 0.945 7 N CB 1.417 39.962 38.487 0.095 0.000 1.063 7 N HN -0.075 nan 8.380 nan 0.000 0.472 8 P HA -0.107 nan 4.420 nan 0.000 0.219 8 P C 0.770 178.115 177.300 0.076 0.000 1.150 8 P CA 1.211 64.359 63.100 0.079 0.000 0.814 8 P CB 0.526 32.257 31.700 0.051 0.000 0.787 9 Q N -1.318 118.531 119.800 0.082 0.000 2.119 9 Q HA -0.105 4.279 4.340 0.074 0.000 0.201 9 Q C 1.971 178.035 176.000 0.107 0.000 0.972 9 Q CA 1.166 57.010 55.803 0.069 0.000 0.847 9 Q CB -0.902 27.867 28.738 0.052 0.000 0.903 9 Q HN 0.192 nan 8.270 nan 0.000 0.433 10 F N 0.796 120.759 119.950 0.021 0.000 2.146 10 F HA -0.189 4.384 4.527 0.076 0.000 0.298 10 F C 1.956 177.792 175.800 0.060 0.000 1.096 10 F CA 1.266 59.287 58.000 0.036 0.000 1.275 10 F CB -0.005 39.005 39.000 0.016 0.000 1.008 10 F HN 0.009 nan 8.300 nan 0.000 0.480 11 Q N 0.830 120.601 119.800 -0.048 0.000 2.170 11 Q HA -0.224 4.160 4.340 0.074 0.000 0.203 11 Q C 2.289 178.225 176.000 -0.107 0.000 0.976 11 Q CA 1.552 57.277 55.803 -0.130 0.000 0.858 11 Q CB -0.587 28.163 28.738 0.020 0.000 0.907 11 Q HN 0.513 nan 8.270 nan 0.000 0.433 12 K N 0.616 120.996 120.400 -0.033 0.000 2.026 12 K HA -0.101 4.264 4.320 0.074 0.000 0.208 12 K C 2.138 178.767 176.600 0.048 0.000 1.048 12 K CA 0.647 56.946 56.287 0.020 0.000 0.929 12 K CB -0.165 32.353 32.500 0.031 0.000 0.713 12 K HN 0.150 nan 8.250 nan 0.000 0.439 13 L N 1.198 122.415 121.223 -0.011 0.000 1.990 13 L HA -0.225 4.160 4.340 0.074 0.000 0.213 13 L C 2.496 179.438 176.870 0.120 0.000 1.072 13 L CA 1.382 56.254 54.840 0.054 0.000 0.755 13 L CB -0.440 41.631 42.059 0.021 0.000 0.889 13 L HN 0.325 nan 8.230 nan 0.000 0.432 14 L N 0.290 121.393 121.223 -0.200 0.000 2.046 14 L HA -0.233 4.152 4.340 0.074 0.000 0.208 14 L C 2.456 179.336 176.870 0.016 0.000 1.077 14 L CA 1.945 56.667 54.840 -0.196 0.000 0.747 14 L CB -0.583 41.173 42.059 -0.506 0.000 0.896 14 L HN 0.267 nan 8.230 nan 0.000 0.432 15 E N -1.177 119.035 120.200 0.020 0.000 2.077 15 E HA -0.315 4.080 4.350 0.074 0.000 0.193 15 E C 2.042 178.716 176.600 0.125 0.000 0.989 15 E CA 1.788 58.221 56.400 0.056 0.000 0.800 15 E CB -0.763 28.961 29.700 0.040 0.000 0.746 15 E HN 0.552 nan 8.360 nan 0.000 0.452 16 W N 0.824 122.145 121.300 0.035 0.000 2.338 16 W HA -0.224 4.480 4.660 0.074 0.000 0.304 16 W C 2.509 179.097 176.519 0.115 0.000 1.212 16 W CA 2.249 59.636 57.345 0.070 0.000 1.264 16 W CB -0.490 29.018 29.460 0.080 0.000 1.142 16 W HN 0.303 nan 8.180 nan 0.000 0.512 17 H N 0.598 119.949 119.070 0.469 0.000 2.319 17 H HA -0.158 4.443 4.556 0.075 0.000 0.299 17 H C 2.264 177.547 175.328 -0.074 0.000 1.092 17 H CA 2.289 58.480 56.048 0.238 0.000 1.302 17 H CB -0.214 29.526 29.762 -0.037 0.000 1.373 17 H HN 0.155 nan 8.280 nan 0.000 0.497 18 R N -0.111 120.411 120.500 0.036 0.000 2.091 18 R HA -0.104 4.280 4.340 0.074 0.000 0.238 18 R C 2.518 178.718 176.300 -0.166 0.000 1.136 18 R CA 1.272 57.339 56.100 -0.056 0.000 0.959 18 R CB -0.227 30.067 30.300 -0.010 0.000 0.856 18 R HN 0.345 nan 8.270 nan 0.000 0.437 19 A N 0.421 123.116 122.820 -0.208 0.000 1.970 19 A HA -0.031 4.333 4.320 0.074 0.000 0.216 19 A C 1.476 178.825 177.584 -0.392 0.000 1.170 19 A CA 0.989 52.866 52.037 -0.266 0.000 0.645 19 A CB 0.083 18.930 19.000 -0.255 0.000 0.816 19 A HN 0.259 nan 8.150 nan 0.000 0.447 20 N N -1.120 117.217 118.700 -0.605 0.000 2.297 20 N HA -0.043 4.741 4.740 0.074 0.000 0.208 20 N C 1.757 176.971 175.510 -0.494 0.000 1.176 20 N CA 1.088 53.675 53.050 -0.771 0.000 0.882 20 N CB 0.113 37.559 38.487 -1.735 0.000 1.134 20 N HN 0.513 nan 8.380 nan 0.000 0.489 21 S N 1.289 116.743 115.700 -0.411 0.000 2.399 21 S HA -0.047 4.468 4.470 0.074 0.000 0.231 21 S C 2.089 176.650 174.600 -0.066 0.000 1.022 21 S CA 1.053 59.141 58.200 -0.186 0.000 0.983 21 S CB -0.273 62.474 63.200 -0.754 0.000 0.803 21 S HN 0.247 nan 8.310 nan 0.000 0.480 22 A N 2.204 124.943 122.820 -0.135 0.000 2.125 22 A HA -0.031 4.333 4.320 0.074 0.000 0.219 22 A C 1.844 179.425 177.584 -0.005 0.000 1.156 22 A CA 1.426 53.438 52.037 -0.042 0.000 0.671 22 A CB -0.898 18.064 19.000 -0.064 0.000 0.794 22 A HN 0.782 nan 8.150 nan 0.000 0.459 23 N N -0.842 117.842 118.700 -0.026 0.000 2.353 23 N HA 0.210 4.994 4.740 0.074 0.000 0.185 23 N C -0.379 175.169 175.510 0.063 0.000 1.098 23 N CA -0.169 52.882 53.050 0.001 0.000 0.872 23 N CB 0.087 38.550 38.487 -0.041 0.000 0.970 23 N HN 0.374 nan 8.380 nan 0.000 0.467 24 L N 1.634 122.928 121.223 0.120 0.000 2.315 24 L HA 0.230 4.614 4.340 0.074 0.000 0.283 24 L C -0.169 176.790 176.870 0.149 0.000 1.089 24 L CA 0.187 55.133 54.840 0.176 0.000 0.833 24 L CB 0.500 42.740 42.059 0.301 0.000 1.170 24 L HN -0.052 nan 8.230 nan 0.000 0.442 25 K N 4.216 124.685 120.400 0.116 0.000 2.579 25 K HA 0.305 4.669 4.320 0.074 0.000 0.250 25 K C 0.519 177.187 176.600 0.112 0.000 0.952 25 K CA -0.556 55.794 56.287 0.105 0.000 0.857 25 K CB 2.213 34.762 32.500 0.082 0.000 1.123 25 K HN 0.486 nan 8.250 nan 0.000 0.433 26 L N 1.692 122.997 121.223 0.136 0.000 2.012 26 L HA -0.188 4.197 4.340 0.074 0.000 0.210 26 L C 2.505 179.533 176.870 0.263 0.000 1.073 26 L CA 1.545 56.504 54.840 0.198 0.000 0.748 26 L CB -0.250 41.932 42.059 0.204 0.000 0.891 26 L HN 0.629 nan 8.230 nan 0.000 0.431 27 R N 0.109 120.708 120.500 0.166 0.000 2.096 27 R HA -0.203 4.182 4.340 0.074 0.000 0.240 27 R C 2.167 178.559 176.300 0.152 0.000 1.139 27 R CA 1.961 58.143 56.100 0.138 0.000 0.952 27 R CB -0.157 30.187 30.300 0.074 0.000 0.854 27 R HN 0.516 nan 8.270 nan 0.000 0.436 28 E N 0.149 120.417 120.200 0.113 0.000 2.152 28 E HA -0.149 4.245 4.350 0.074 0.000 0.192 28 E C 2.174 178.817 176.600 0.072 0.000 0.983 28 E CA 0.720 57.170 56.400 0.084 0.000 0.818 28 E CB -0.072 29.666 29.700 0.063 0.000 0.758 28 E HN 0.325 nan 8.360 nan 0.000 0.467 29 L N 0.079 121.337 121.223 0.057 0.000 2.042 29 L HA -0.179 4.205 4.340 0.074 0.000 0.210 29 L C 2.297 179.105 176.870 -0.104 0.000 1.076 29 L CA 1.279 56.087 54.840 -0.053 0.000 0.749 29 L CB -0.335 41.636 42.059 -0.147 0.000 0.893 29 L HN 0.073 nan 8.230 nan 0.000 0.432 30 F N -0.268 119.681 119.950 -0.001 0.000 2.206 30 F HA -0.149 4.422 4.527 0.074 0.000 0.298 30 F C 2.680 178.489 175.800 0.014 0.000 1.090 30 F CA 0.948 58.952 58.000 0.006 0.000 1.323 30 F CB -0.128 38.871 39.000 -0.002 0.000 1.028 30 F HN 0.011 nan 8.300 nan 0.000 0.492 31 E N 0.183 120.492 120.200 0.183 0.000 2.077 31 E HA -0.166 4.228 4.350 0.074 0.000 0.193 31 E C 2.383 179.026 176.600 0.072 0.000 0.989 31 E CA 1.158 57.623 56.400 0.108 0.000 0.800 31 E CB -0.600 29.148 29.700 0.080 0.000 0.746 31 E HN 0.344 nan 8.360 nan 0.000 0.452 32 A N 0.907 123.759 122.820 0.053 0.000 2.066 32 A HA -0.114 4.250 4.320 0.074 0.000 0.218 32 A C 0.658 178.260 177.584 0.029 0.000 1.157 32 A CA 1.174 53.232 52.037 0.034 0.000 0.670 32 A CB 0.051 19.066 19.000 0.025 0.000 0.804 32 A HN 0.127 nan 8.150 nan 0.000 0.453 33 D N -1.961 118.454 120.400 0.025 0.000 2.336 33 D HA 0.289 4.974 4.640 0.074 0.000 0.248 33 D C -2.135 174.195 176.300 0.049 0.000 1.326 33 D CA -1.555 52.459 54.000 0.024 0.000 0.973 33 D CB 1.407 42.208 40.800 0.003 0.000 1.255 33 D HN -0.069 nan 8.370 nan 0.000 0.558 34 P HA -0.080 nan 4.420 nan 0.000 0.228 34 P C 0.467 177.836 177.300 0.115 0.000 1.151 34 P CA 0.636 63.795 63.100 0.097 0.000 0.770 34 P CB 0.497 32.240 31.700 0.072 0.000 0.786 35 E N -0.547 119.707 120.200 0.090 0.000 2.465 35 E HA 0.034 4.429 4.350 0.074 0.000 0.191 35 E C 1.891 178.560 176.600 0.115 0.000 1.053 35 E CA -0.131 56.326 56.400 0.095 0.000 0.869 35 E CB -0.216 29.516 29.700 0.054 0.000 0.977 35 E HN 0.300 nan 8.360 nan 0.000 0.483 36 R N -0.009 120.556 120.500 0.107 0.000 2.080 36 R HA -0.163 4.221 4.340 0.074 0.000 0.236 36 R C 2.107 178.521 176.300 0.191 0.000 1.137 36 R CA 1.304 57.444 56.100 0.065 0.000 0.943 36 R CB -0.339 29.725 30.300 -0.394 0.000 0.846 36 R HN 0.152 nan 8.270 nan 0.000 0.431 37 F N 2.093 122.126 119.950 0.140 0.000 2.091 37 F HA -0.272 4.300 4.527 0.074 0.000 0.299 37 F C 1.793 177.634 175.800 0.069 0.000 1.103 37 F CA 1.908 59.996 58.000 0.146 0.000 1.228 37 F CB -0.442 38.655 39.000 0.162 0.000 0.984 37 F HN 0.100 nan 8.300 nan 0.000 0.477 38 N N 0.759 119.452 118.700 -0.012 0.000 2.149 38 N HA -0.183 4.602 4.740 0.074 0.000 0.188 38 N C 1.260 176.634 175.510 -0.226 0.000 1.019 38 N CA 1.466 54.428 53.050 -0.146 0.000 0.857 38 N CB -0.640 37.862 38.487 0.024 0.000 0.997 38 N HN 0.406 nan 8.380 nan 0.000 0.426 39 N N -0.476 118.113 118.700 -0.184 0.000 2.422 39 N HA 0.044 4.828 4.740 0.074 0.000 0.181 39 N C -0.252 174.827 175.510 -0.718 0.000 1.080 39 N CA 0.283 53.105 53.050 -0.380 0.000 0.893 39 N CB 0.166 38.430 38.487 -0.372 0.000 0.973 39 N HN 0.191 nan 8.380 nan 0.000 0.456 40 F N 0.306 119.985 119.950 -0.450 0.000 2.818 40 F HA 0.302 4.873 4.527 0.073 0.000 0.369 40 F C 0.171 175.178 175.800 -1.321 0.000 1.327 40 F CA -0.659 56.795 58.000 -0.909 0.000 1.211 40 F CB 0.329 38.933 39.000 -0.660 0.000 1.036 40 F HN -0.215 nan 8.300 nan 0.000 0.510 41 S N -0.020 115.263 115.700 -0.695 0.000 2.550 41 S HA 0.828 5.343 4.470 0.074 0.000 0.270 41 S C -1.334 173.199 174.600 -0.110 0.000 1.145 41 S CA -0.811 57.136 58.200 -0.422 0.000 0.852 41 S CB 1.959 64.745 63.200 -0.690 0.000 1.119 41 S HN 0.136 nan 8.310 nan 0.000 0.465 42 L N 2.466 123.739 121.223 0.083 0.000 2.343 42 L HA 0.539 4.924 4.340 0.074 0.000 0.278 42 L C -0.503 176.439 176.870 0.120 0.000 0.996 42 L CA -0.730 54.183 54.840 0.122 0.000 0.831 42 L CB 1.720 43.900 42.059 0.201 0.000 1.232 42 L HN 0.735 nan 8.230 nan 0.000 0.413 43 N N 5.090 123.857 118.700 0.112 0.000 2.558 43 N HA 0.330 5.115 4.740 0.074 0.000 0.233 43 N C -1.025 174.583 175.510 0.163 0.000 1.038 43 N CA -0.291 52.858 53.050 0.167 0.000 0.934 43 N CB 0.594 39.192 38.487 0.185 0.000 1.175 43 N HN 0.522 nan 8.380 nan 0.000 0.512 44 L N 2.445 123.742 121.223 0.124 0.000 2.281 44 L HA 0.291 4.675 4.340 0.074 0.000 0.285 44 L C 0.589 177.355 176.870 -0.173 0.000 1.074 44 L CA -0.699 54.181 54.840 0.066 0.000 0.817 44 L CB 0.553 42.656 42.059 0.073 0.000 1.168 44 L HN 0.369 nan 8.230 nan 0.000 0.434 45 N N 1.535 120.092 118.700 -0.239 0.000 2.485 45 N HA 0.103 4.887 4.740 0.074 0.000 0.243 45 N C 0.800 176.082 175.510 -0.380 0.000 0.987 45 N CA -0.347 52.327 53.050 -0.626 0.000 0.940 45 N CB 1.309 39.492 38.487 -0.507 0.000 1.122 45 N HN 0.649 nan 8.380 nan 0.000 0.509 46 T N 0.130 114.285 114.554 -0.665 0.000 3.129 46 T HA 0.082 4.476 4.350 0.074 0.000 0.251 46 T C 0.398 174.806 174.700 -0.486 0.000 1.117 46 T CA -0.014 61.500 62.100 -0.978 0.000 1.034 46 T CB -0.185 68.024 68.868 -1.099 0.000 0.968 46 T HN 0.583 nan 8.240 nan 0.000 0.526 47 N N 0.975 119.430 118.700 -0.408 0.000 2.936 47 N HA -0.157 4.627 4.740 0.074 0.000 0.236 47 N C -0.482 174.544 175.510 -0.806 0.000 0.930 47 N CA 1.563 54.327 53.050 -0.476 0.000 0.966 47 N CB -1.469 36.775 38.487 -0.405 0.000 1.090 47 N HN 0.648 nan 8.380 nan 0.000 0.592 48 H N -0.483 118.331 119.070 -0.428 0.000 2.651 48 H HA 0.529 5.129 4.556 0.074 0.000 0.241 48 H C 1.256 176.419 175.328 -0.275 0.000 1.225 48 H CA 0.604 56.356 56.048 -0.493 0.000 0.942 48 H CB 0.543 29.624 29.762 -1.136 0.000 1.996 48 H HN 0.486 nan 8.280 nan 0.000 0.600 49 G N 0.501 109.253 108.800 -0.081 0.000 2.484 49 G HA2 -0.102 3.902 3.960 0.074 0.000 0.685 49 G HA3 -0.102 3.902 3.960 0.074 0.000 0.685 49 G C -1.371 173.543 174.900 0.024 0.000 1.294 49 G CA -1.032 44.103 45.100 0.059 0.000 0.879 49 G HN 0.390 nan 8.290 nan 0.000 0.646 50 H N -0.595 118.473 119.070 -0.004 0.000 2.499 50 H HA 0.615 5.215 4.556 0.074 0.000 0.340 50 H C -0.128 175.239 175.328 0.066 0.000 1.148 50 H CA -0.351 55.697 56.048 0.001 0.000 1.215 50 H CB 1.947 31.726 29.762 0.028 0.000 1.529 50 H HN 0.377 nan 8.280 nan 0.000 0.510 51 I N 3.854 124.503 120.570 0.131 0.000 2.411 51 I HA 0.040 4.254 4.170 0.074 0.000 0.284 51 I C -0.714 175.519 176.117 0.194 0.000 1.012 51 I CA -0.695 60.715 61.300 0.184 0.000 1.119 51 I CB 1.618 39.674 38.000 0.093 0.000 1.261 51 I HN 0.143 nan 8.210 nan 0.000 0.448 52 L N 8.904 130.269 121.223 0.237 0.000 2.261 52 L HA 0.425 4.809 4.340 0.074 0.000 0.289 52 L C -0.500 176.521 176.870 0.251 0.000 1.059 52 L CA -0.124 54.854 54.840 0.231 0.000 0.816 52 L CB 1.167 43.372 42.059 0.244 0.000 1.191 52 L HN 0.325 nan 8.230 nan 0.000 0.431 53 V N 4.919 124.971 119.914 0.230 0.000 2.288 53 V HA 0.262 4.426 4.120 0.074 0.000 0.266 53 V C -0.304 175.968 176.094 0.297 0.000 1.048 53 V CA -0.589 61.870 62.300 0.265 0.000 0.842 53 V CB 0.749 32.710 31.823 0.230 0.000 1.064 53 V HN 0.716 nan 8.190 nan 0.000 0.472 54 D N 4.285 124.863 120.400 0.297 0.000 2.396 54 D HA 0.195 4.879 4.640 0.074 0.000 0.225 54 D C 0.251 176.726 176.300 0.292 0.000 1.121 54 D CA -0.512 53.636 54.000 0.246 0.000 0.853 54 D CB 0.847 41.864 40.800 0.362 0.000 1.043 54 D HN 0.640 nan 8.370 nan 0.000 0.500 55 Y N 1.465 121.884 120.300 0.198 0.000 2.658 55 Y HA 0.233 4.827 4.550 0.075 0.000 0.276 55 Y C 1.542 177.574 175.900 0.220 0.000 1.167 55 Y CA -0.228 58.000 58.100 0.213 0.000 1.230 55 Y CB -0.324 38.254 38.460 0.197 0.000 1.144 55 Y HN 0.218 nan 8.280 nan 0.000 0.529 56 S N 0.300 116.047 115.700 0.079 0.000 2.453 56 S HA -0.053 4.462 4.470 0.074 0.000 0.231 56 S C 1.117 175.849 174.600 0.219 0.000 1.005 56 S CA 0.301 58.540 58.200 0.065 0.000 0.949 56 S CB -0.289 63.046 63.200 0.225 0.000 0.774 56 S HN 0.509 nan 8.310 nan 0.000 0.510 57 K N 1.692 122.279 120.400 0.313 0.000 2.745 57 K HA 0.253 4.617 4.320 0.074 0.000 0.223 57 K C -0.635 176.100 176.600 0.225 0.000 1.057 57 K CA -0.116 56.351 56.287 0.300 0.000 1.217 57 K CB -0.360 32.214 32.500 0.123 0.000 0.993 57 K HN 0.459 nan 8.250 nan 0.000 0.478 58 N N 0.356 119.189 118.700 0.221 0.000 2.472 58 N HA 0.257 5.041 4.740 0.074 0.000 0.289 58 N C -0.549 175.114 175.510 0.256 0.000 1.156 58 N CA -0.593 52.644 53.050 0.312 0.000 0.940 58 N CB 1.284 40.008 38.487 0.395 0.000 1.200 58 N HN -0.018 nan 8.380 nan 0.000 0.511 59 L N 2.233 123.716 121.223 0.433 0.000 2.437 59 L HA 0.244 4.628 4.340 0.074 0.000 0.243 59 L C -0.652 176.488 176.870 0.451 0.000 1.346 59 L CA -0.394 54.708 54.840 0.438 0.000 1.233 59 L CB -0.950 41.431 42.059 0.538 0.000 1.436 59 L HN 0.293 nan 8.230 nan 0.000 0.416 60 V N -1.976 118.009 119.914 0.118 0.000 3.049 60 V HA 0.864 5.028 4.120 0.074 0.000 0.309 60 V C -0.158 175.835 176.094 -0.169 0.000 1.148 60 V CA -0.587 61.660 62.300 -0.088 0.000 0.990 60 V CB 1.984 33.714 31.823 -0.156 0.000 1.039 60 V HN 0.303 nan 8.190 nan 0.000 0.430 61 S N 1.311 116.942 115.700 -0.116 0.000 2.751 61 S HA 0.520 5.035 4.470 0.074 0.000 0.310 61 S C 0.776 175.468 174.600 0.154 0.000 1.128 61 S CA -0.174 58.028 58.200 0.003 0.000 0.931 61 S CB 1.847 65.067 63.200 0.033 0.000 1.177 61 S HN 1.057 nan 8.310 nan 0.000 0.530 62 K N 0.428 120.981 120.400 0.255 0.000 2.074 62 K HA -0.215 4.149 4.320 0.074 0.000 0.209 62 K C 1.567 178.122 176.600 -0.076 0.000 1.048 62 K CA 2.134 58.468 56.287 0.079 0.000 0.926 62 K CB -0.383 32.131 32.500 0.023 0.000 0.713 62 K HN 0.659 nan 8.250 nan 0.000 0.444 63 E N 0.078 120.200 120.200 -0.131 0.000 2.077 63 E HA -0.142 4.253 4.350 0.074 0.000 0.193 63 E C 1.930 178.242 176.600 -0.479 0.000 0.989 63 E CA 1.230 57.470 56.400 -0.265 0.000 0.800 63 E CB -0.112 29.444 29.700 -0.239 0.000 0.746 63 E HN 0.095 nan 8.360 nan 0.000 0.452 64 V N 0.651 120.190 119.914 -0.625 0.000 2.295 64 V HA -0.284 3.880 4.120 0.074 0.000 0.246 64 V C 2.142 177.911 176.094 -0.542 0.000 1.049 64 V CA 1.576 63.378 62.300 -0.829 0.000 1.024 64 V CB -0.433 30.777 31.823 -1.022 0.000 0.648 64 V HN 0.318 nan 8.190 nan 0.000 0.447 65 M N -0.550 118.859 119.600 -0.320 0.000 2.117 65 M HA -0.192 4.332 4.480 0.074 0.000 0.262 65 M C 2.227 178.413 176.300 -0.190 0.000 1.065 65 M CA 1.613 56.794 55.300 -0.197 0.000 1.114 65 M CB -1.323 31.255 32.600 -0.037 0.000 1.361 65 M HN 0.425 nan 8.290 nan 0.000 0.408 66 Q N -0.439 119.246 119.800 -0.190 0.000 2.061 66 Q HA -0.129 4.255 4.340 0.074 0.000 0.204 66 Q C 2.162 178.063 176.000 -0.165 0.000 0.984 66 Q CA 1.522 57.229 55.803 -0.160 0.000 0.846 66 Q CB -0.182 28.469 28.738 -0.146 0.000 0.902 66 Q HN 0.497 nan 8.270 nan 0.000 0.421 67 M N 0.028 119.493 119.600 -0.225 0.000 2.159 67 M HA -0.178 4.346 4.480 0.074 0.000 0.263 67 M C 2.081 178.297 176.300 -0.141 0.000 1.063 67 M CA 1.284 56.470 55.300 -0.191 0.000 1.110 67 M CB -0.196 32.245 32.600 -0.266 0.000 1.374 67 M HN 0.237 nan 8.290 nan 0.000 0.411 68 L N -0.814 120.301 121.223 -0.180 0.000 2.027 68 L HA -0.173 4.211 4.340 0.074 0.000 0.206 68 L C 2.417 179.231 176.870 -0.093 0.000 1.074 68 L CA 0.844 55.610 54.840 -0.122 0.000 0.745 68 L CB -0.658 41.300 42.059 -0.168 0.000 0.898 68 L HN 0.097 nan 8.230 nan 0.000 0.433 69 V N -0.098 119.751 119.914 -0.108 0.000 2.343 69 V HA -0.288 3.876 4.120 0.074 0.000 0.247 69 V C 2.350 178.402 176.094 -0.070 0.000 1.051 69 V CA 1.873 64.120 62.300 -0.088 0.000 1.036 69 V CB -0.528 31.239 31.823 -0.093 0.000 0.654 69 V HN 0.460 nan 8.190 nan 0.000 0.451 70 E N -0.191 119.967 120.200 -0.071 0.000 2.110 70 E HA -0.249 4.145 4.350 0.074 0.000 0.193 70 E C 2.103 178.684 176.600 -0.033 0.000 0.988 70 E CA 1.357 57.726 56.400 -0.052 0.000 0.804 70 E CB -0.246 29.422 29.700 -0.052 0.000 0.745 70 E HN 0.438 nan 8.360 nan 0.000 0.458 71 L N 0.909 122.118 121.223 -0.024 0.000 2.046 71 L HA -0.099 4.286 4.340 0.074 0.000 0.208 71 L C 2.182 179.041 176.870 -0.020 0.000 1.077 71 L CA 1.972 56.814 54.840 0.004 0.000 0.747 71 L CB -0.669 41.417 42.059 0.045 0.000 0.896 71 L HN 0.044 nan 8.230 nan 0.000 0.432 72 A N -0.526 122.271 122.820 -0.040 0.000 1.908 72 A HA -0.265 4.100 4.320 0.074 0.000 0.218 72 A C 2.357 179.916 177.584 -0.043 0.000 1.181 72 A CA 2.148 54.155 52.037 -0.050 0.000 0.627 72 A CB -0.537 18.432 19.000 -0.051 0.000 0.818 72 A HN 0.518 nan 8.150 nan 0.000 0.445 73 K N -0.699 119.676 120.400 -0.042 0.000 2.026 73 K HA -0.089 4.276 4.320 0.074 0.000 0.208 73 K C 2.444 179.025 176.600 -0.031 0.000 1.048 73 K CA 1.334 57.596 56.287 -0.041 0.000 0.929 73 K CB -0.268 32.205 32.500 -0.046 0.000 0.713 73 K HN 0.400 nan 8.250 nan 0.000 0.439 74 S N 0.444 116.130 115.700 -0.023 0.000 2.400 74 S HA -0.094 4.421 4.470 0.074 0.000 0.232 74 S C 1.619 176.212 174.600 -0.012 0.000 1.025 74 S CA 1.108 59.301 58.200 -0.011 0.000 0.993 74 S CB -0.008 63.194 63.200 0.003 0.000 0.808 74 S HN 0.168 nan 8.310 nan 0.000 0.478 75 R N 0.224 120.711 120.500 -0.023 0.000 2.310 75 R HA 0.172 4.556 4.340 0.074 0.000 0.202 75 R C 1.395 177.678 176.300 -0.028 0.000 0.933 75 R CA 0.637 56.719 56.100 -0.030 0.000 1.054 75 R CB -0.805 29.462 30.300 -0.056 0.000 0.985 75 R HN 0.489 nan 8.270 nan 0.000 0.489 76 G N 1.026 109.811 108.800 -0.025 0.000 2.246 76 G HA2 -0.258 3.747 3.960 0.074 0.000 0.273 76 G HA3 -0.258 3.747 3.960 0.074 0.000 0.273 76 G C 0.911 175.806 174.900 -0.010 0.000 1.055 76 G CA 0.385 45.474 45.100 -0.018 0.000 0.851 76 G HN 0.191 nan 8.290 nan 0.000 0.500 77 V N -0.276 119.628 119.914 -0.016 0.000 2.287 77 V HA -0.224 3.940 4.120 0.074 0.000 0.248 77 V C 2.643 178.757 176.094 0.033 0.000 1.053 77 V CA 2.950 65.261 62.300 0.018 0.000 1.027 77 V CB -0.486 31.349 31.823 0.020 0.000 0.646 77 V HN 0.683 nan 8.190 nan 0.000 0.447 78 E N 0.175 120.350 120.200 -0.042 0.000 2.051 78 E HA -0.200 4.194 4.350 0.074 0.000 0.192 78 E C 2.326 178.870 176.600 -0.093 0.000 0.991 78 E CA 1.366 57.696 56.400 -0.116 0.000 0.799 78 E CB -0.401 29.215 29.700 -0.140 0.000 0.748 78 E HN 0.601 nan 8.360 nan 0.000 0.449 79 A N 1.369 124.161 122.820 -0.046 0.000 1.902 79 A HA -0.133 4.232 4.320 0.074 0.000 0.217 79 A C 2.372 179.976 177.584 0.033 0.000 1.181 79 A CA 1.731 53.752 52.037 -0.025 0.000 0.623 79 A CB -0.661 18.329 19.000 -0.016 0.000 0.818 79 A HN 0.300 nan 8.150 nan 0.000 0.443 80 A N -0.240 122.639 122.820 0.099 0.000 1.898 80 A HA -0.154 4.211 4.320 0.074 0.000 0.216 80 A C 2.269 180.089 177.584 0.394 0.000 1.181 80 A CA 1.674 53.854 52.037 0.237 0.000 0.620 80 A CB -0.532 18.599 19.000 0.219 0.000 0.819 80 A HN 0.570 nan 8.150 nan 0.000 0.442 81 R N -0.175 120.527 120.500 0.336 0.000 2.080 81 R HA -0.199 4.185 4.340 0.074 0.000 0.236 81 R C 1.395 177.674 176.300 -0.035 0.000 1.137 81 R CA 2.102 58.261 56.100 0.100 0.000 0.943 81 R CB -0.548 29.578 30.300 -0.290 0.000 0.846 81 R HN 0.412 nan 8.270 nan 0.000 0.431 82 D N 0.482 120.808 120.400 -0.124 0.000 2.149 82 D HA -0.151 4.534 4.640 0.074 0.000 0.198 82 D C 1.611 177.898 176.300 -0.022 0.000 0.990 82 D CA 1.038 54.956 54.000 -0.136 0.000 0.839 82 D CB -0.467 40.243 40.800 -0.151 0.000 0.948 82 D HN 0.293 nan 8.370 nan 0.000 0.460 83 N N 0.197 118.910 118.700 0.021 0.000 2.188 83 N HA -0.115 4.669 4.740 0.074 0.000 0.184 83 N C 1.816 177.333 175.510 0.012 0.000 1.018 83 N CA 0.458 53.526 53.050 0.030 0.000 0.858 83 N CB -0.311 38.219 38.487 0.071 0.000 0.989 83 N HN 0.290 nan 8.380 nan 0.000 0.426 84 M N -0.451 119.165 119.600 0.026 0.000 2.067 84 M HA -0.133 4.392 4.480 0.074 0.000 0.260 84 M C 1.364 177.541 176.300 -0.205 0.000 1.069 84 M CA 1.599 56.819 55.300 -0.133 0.000 1.117 84 M CB -0.150 32.265 32.600 -0.309 0.000 1.334 84 M HN -0.075 nan 8.290 nan 0.000 0.407 85 F N 0.425 120.201 119.950 -0.289 0.000 2.365 85 F HA -0.119 4.454 4.527 0.076 0.000 0.300 85 F C 2.735 178.392 175.800 -0.238 0.000 1.090 85 F CA 1.524 59.357 58.000 -0.278 0.000 1.408 85 F CB -0.537 38.300 39.000 -0.272 0.000 1.060 85 F HN 0.389 nan 8.300 nan 0.000 0.534 86 S N -1.131 114.548 115.700 -0.034 0.000 2.548 86 S HA 0.341 4.855 4.470 0.074 0.000 0.215 86 S C 1.706 176.222 174.600 -0.139 0.000 0.976 86 S CA 0.395 58.546 58.200 -0.081 0.000 0.908 86 S CB -0.002 63.162 63.200 -0.060 0.000 0.781 86 S HN 0.523 nan 8.310 nan 0.000 0.519 87 G N 0.785 109.473 108.800 -0.187 0.000 2.141 87 G HA2 -0.232 3.772 3.960 0.074 0.000 0.242 87 G HA3 -0.232 3.772 3.960 0.074 0.000 0.242 87 G C 0.067 174.881 174.900 -0.143 0.000 0.982 87 G CA 0.022 44.981 45.100 -0.235 0.000 0.662 87 G HN 0.630 nan 8.290 nan 0.000 0.527 88 S N 0.059 115.708 115.700 -0.085 0.000 2.568 88 S HA 0.276 4.791 4.470 0.074 0.000 0.282 88 S C 0.859 175.458 174.600 -0.002 0.000 1.338 88 S CA 0.109 58.293 58.200 -0.026 0.000 1.045 88 S CB 0.861 64.066 63.200 0.007 0.000 0.873 88 S HN 0.406 nan 8.310 nan 0.000 0.516 89 K N 2.448 122.872 120.400 0.041 0.000 2.480 89 K HA 0.122 4.486 4.320 0.074 0.000 0.241 89 K C 1.117 177.800 176.600 0.138 0.000 1.261 89 K CA -0.034 56.300 56.287 0.078 0.000 1.193 89 K CB -0.608 31.948 32.500 0.095 0.000 1.598 89 K HN 0.614 nan 8.250 nan 0.000 0.278 90 I N -2.289 118.359 120.570 0.130 0.000 2.928 90 I HA -0.062 4.153 4.170 0.074 0.000 0.266 90 I C 0.737 177.020 176.117 0.276 0.000 1.234 90 I CA 0.308 61.752 61.300 0.239 0.000 1.483 90 I CB -0.066 38.080 38.000 0.243 0.000 1.097 90 I HN 0.123 nan 8.210 nan 0.000 0.455 91 N N 1.862 120.660 118.700 0.163 0.000 2.671 91 N HA -0.050 4.734 4.740 0.074 0.000 0.274 91 N C 0.658 176.224 175.510 0.093 0.000 1.188 91 N CA -0.231 52.881 53.050 0.103 0.000 1.065 91 N CB -0.166 38.394 38.487 0.122 0.000 1.415 91 N HN 0.555 nan 8.380 nan 0.000 0.511 92 Y N 0.302 120.723 120.300 0.201 0.000 2.439 92 Y HA 0.014 4.613 4.550 0.082 0.000 0.292 92 Y C 2.113 178.131 175.900 0.196 0.000 1.130 92 Y CA 0.999 59.202 58.100 0.172 0.000 1.254 92 Y CB -1.004 37.544 38.460 0.148 0.000 1.000 92 Y HN 0.301 nan 8.280 nan 0.000 0.554 93 T N -2.051 112.587 114.554 0.140 0.000 2.985 93 T HA -0.037 4.357 4.350 0.074 0.000 0.266 93 T C 1.209 176.138 174.700 0.382 0.000 1.076 93 T CA 1.267 63.565 62.100 0.329 0.000 1.135 93 T CB -0.247 68.920 68.868 0.497 0.000 0.890 93 T HN 0.562 nan 8.240 nan 0.000 0.480 94 E N 0.680 121.044 120.200 0.273 0.000 2.498 94 E HA 0.131 4.526 4.350 0.074 0.000 0.203 94 E C -0.214 176.497 176.600 0.186 0.000 1.013 94 E CA -0.063 56.484 56.400 0.245 0.000 0.927 94 E CB 0.196 29.978 29.700 0.136 0.000 1.012 94 E HN 0.384 nan 8.360 nan 0.000 0.482 95 D N 1.705 122.216 120.400 0.185 0.000 2.803 95 D HA -0.197 4.488 4.640 0.074 0.000 0.233 95 D C -0.907 175.481 176.300 0.146 0.000 1.182 95 D CA 0.854 54.952 54.000 0.164 0.000 0.726 95 D CB -0.645 40.243 40.800 0.147 0.000 0.987 95 D HN 0.119 nan 8.370 nan 0.000 0.412 96 R N -0.178 120.410 120.500 0.146 0.000 2.795 96 R HA 0.827 5.211 4.340 0.074 0.000 0.275 96 R C 0.051 176.429 176.300 0.130 0.000 0.981 96 R CA -0.469 55.724 56.100 0.156 0.000 0.917 96 R CB 1.609 32.006 30.300 0.162 0.000 1.202 96 R HN 0.165 nan 8.270 nan 0.000 0.469 97 A N 1.244 124.148 122.820 0.141 0.000 2.366 97 A HA 0.402 4.766 4.320 0.074 0.000 0.250 97 A C -0.367 177.240 177.584 0.038 0.000 1.099 97 A CA -0.205 51.852 52.037 0.033 0.000 0.794 97 A CB 0.594 19.535 19.000 -0.098 0.000 1.056 97 A HN 0.368 nan 8.150 nan 0.000 0.499 98 V N 1.407 121.228 119.914 -0.154 0.000 2.385 98 V HA 0.298 4.462 4.120 0.074 0.000 0.277 98 V C -0.300 175.549 176.094 -0.409 0.000 1.012 98 V CA 0.134 62.251 62.300 -0.304 0.000 0.832 98 V CB 0.537 31.899 31.823 -0.769 0.000 1.028 98 V HN 0.703 nan 8.190 nan 0.000 0.436 99 L N 4.755 125.885 121.223 -0.154 0.000 3.193 99 L HA 0.297 4.681 4.340 0.074 0.000 0.305 99 L C 1.845 178.683 176.870 -0.054 0.000 1.299 99 L CA -0.264 54.387 54.840 -0.314 0.000 0.904 99 L CB 0.165 41.829 42.059 -0.658 0.000 1.331 99 L HN 0.796 nan 8.230 nan 0.000 0.588 100 H N -0.577 118.506 119.070 0.022 0.000 2.457 100 H HA -0.115 4.486 4.556 0.074 0.000 0.297 100 H C 1.956 177.202 175.328 -0.136 0.000 1.092 100 H CA 1.681 57.775 56.048 0.076 0.000 1.309 100 H CB -0.672 29.172 29.762 0.138 0.000 1.382 100 H HN 0.434 nan 8.280 nan 0.000 0.535 101 V N -0.392 119.207 119.914 -0.524 0.000 2.594 101 V HA -0.019 4.145 4.120 0.074 0.000 0.253 101 V C 2.789 178.714 176.094 -0.283 0.000 1.069 101 V CA 1.327 63.342 62.300 -0.475 0.000 1.082 101 V CB -1.155 30.139 31.823 -0.881 0.000 0.680 101 V HN 0.485 nan 8.190 nan 0.000 0.469 102 A N 0.794 123.455 122.820 -0.266 0.000 1.969 102 A HA 0.042 4.406 4.320 0.074 0.000 0.218 102 A C 2.200 179.777 177.584 -0.012 0.000 1.169 102 A CA 1.830 53.755 52.037 -0.188 0.000 0.635 102 A CB -0.628 18.151 19.000 -0.369 0.000 0.810 102 A HN 0.588 nan 8.150 nan 0.000 0.445 103 L N -0.266 121.033 121.223 0.127 0.000 2.127 103 L HA -0.165 4.219 4.340 0.074 0.000 0.211 103 L C 2.345 179.298 176.870 0.137 0.000 1.089 103 L CA 1.610 56.603 54.840 0.256 0.000 0.757 103 L CB -0.378 41.922 42.059 0.401 0.000 0.899 103 L HN 0.552 nan 8.230 nan 0.000 0.434 104 R N -0.559 119.942 120.500 0.003 0.000 2.586 104 R HA 0.090 4.475 4.340 0.074 0.000 0.336 104 R C 0.158 176.381 176.300 -0.129 0.000 1.060 104 R CA -0.204 55.857 56.100 -0.064 0.000 1.079 104 R CB -0.735 29.469 30.300 -0.160 0.000 1.317 104 R HN 0.045 nan 8.270 nan 0.000 0.568 105 N N 2.314 120.936 118.700 -0.130 0.000 2.605 105 N HA 0.005 4.789 4.740 0.074 0.000 0.282 105 N C 0.567 175.840 175.510 -0.394 0.000 1.206 105 N CA -0.161 52.749 53.050 -0.233 0.000 1.074 105 N CB 0.497 38.923 38.487 -0.102 0.000 1.434 105 N HN 0.062 nan 8.380 nan 0.000 0.506 106 R N 0.590 120.619 120.500 -0.786 0.000 2.152 106 R HA -0.095 4.290 4.340 0.074 0.000 0.232 106 R C 1.889 178.030 176.300 -0.264 0.000 1.117 106 R CA 1.111 56.950 56.100 -0.435 0.000 0.981 106 R CB -1.151 28.943 30.300 -0.343 0.000 0.870 106 R HN 0.666 nan 8.270 nan 0.000 0.451 107 S N 1.061 116.586 115.700 -0.293 0.000 2.419 107 S HA -0.140 4.375 4.470 0.074 0.000 0.233 107 S C 0.721 175.299 174.600 -0.037 0.000 1.016 107 S CA 0.830 59.005 58.200 -0.041 0.000 0.974 107 S CB -0.193 63.061 63.200 0.089 0.000 0.786 107 S HN 0.315 nan 8.310 nan 0.000 0.492 108 N N 0.616 119.275 118.700 -0.068 0.000 2.753 108 N HA -0.123 4.661 4.740 0.074 0.000 0.251 108 N C -0.752 174.738 175.510 -0.034 0.000 1.097 108 N CA 1.384 54.408 53.050 -0.044 0.000 0.786 108 N CB -2.482 35.992 38.487 -0.023 0.000 1.137 108 N HN 0.586 nan 8.380 nan 0.000 0.566 109 T N 2.432 116.971 114.554 -0.024 0.000 2.871 109 T HA 0.151 4.546 4.350 0.074 0.000 0.296 109 T C -2.145 172.526 174.700 -0.048 0.000 0.998 109 T CA -0.353 61.732 62.100 -0.025 0.000 1.162 109 T CB 0.706 69.569 68.868 -0.009 0.000 0.947 109 T HN 0.029 nan 8.240 nan 0.000 0.536 110 P HA 0.157 nan 4.420 nan 0.000 0.262 110 P C -0.548 176.692 177.300 -0.101 0.000 1.182 110 P CA 0.221 63.276 63.100 -0.076 0.000 0.761 110 P CB 0.231 31.893 31.700 -0.063 0.000 0.795 111 I N 3.630 124.112 120.570 -0.147 0.000 2.410 111 I HA 0.280 4.495 4.170 0.074 0.000 0.286 111 I C 0.384 176.362 176.117 -0.231 0.000 1.009 111 I CA -0.691 60.492 61.300 -0.197 0.000 1.111 111 I CB 1.593 39.434 38.000 -0.265 0.000 1.262 111 I HN 0.077 nan 8.210 nan 0.000 0.443 112 K N 5.325 125.610 120.400 -0.192 0.000 2.156 112 K HA 0.692 5.056 4.320 0.074 0.000 0.271 112 K C -1.059 175.422 176.600 -0.199 0.000 0.995 112 K CA -0.714 55.471 56.287 -0.169 0.000 0.890 112 K CB 2.597 35.032 32.500 -0.108 0.000 1.073 112 K HN 0.258 nan 8.250 nan 0.000 0.454 113 V N 3.343 123.146 119.914 -0.185 0.000 2.483 113 V HA 0.091 4.256 4.120 0.074 0.000 0.297 113 V C -0.493 175.571 176.094 -0.050 0.000 1.027 113 V CA -0.656 61.561 62.300 -0.139 0.000 0.855 113 V CB 1.451 33.166 31.823 -0.181 0.000 0.995 113 V HN 0.882 nan 8.190 nan 0.000 0.424 114 D N 4.222 124.607 120.400 -0.025 0.000 2.772 114 D HA -0.190 4.495 4.640 0.074 0.000 0.233 114 D C 1.312 177.606 176.300 -0.010 0.000 1.143 114 D CA 1.682 55.682 54.000 0.000 0.000 0.700 114 D CB -1.082 39.736 40.800 0.029 0.000 1.076 114 D HN 1.442 nan 8.370 nan 0.000 0.430 115 G N -0.334 108.449 108.800 -0.028 0.000 2.184 115 G HA2 -0.375 3.629 3.960 0.074 0.000 0.264 115 G HA3 -0.375 3.629 3.960 0.074 0.000 0.264 115 G C 0.325 175.205 174.900 -0.034 0.000 0.975 115 G CA 0.813 45.896 45.100 -0.029 0.000 0.642 115 G HN 0.556 nan 8.290 nan 0.000 0.536 116 K N 0.763 121.138 120.400 -0.041 0.000 2.323 116 K HA 0.396 4.760 4.320 0.074 0.000 0.259 116 K C -0.863 175.690 176.600 -0.078 0.000 0.947 116 K CA -0.837 55.424 56.287 -0.042 0.000 0.819 116 K CB 0.935 33.424 32.500 -0.018 0.000 1.109 116 K HN 0.057 nan 8.250 nan 0.000 0.429 117 D N 3.052 123.405 120.400 -0.078 0.000 2.487 117 D HA -0.060 4.624 4.640 0.074 0.000 0.243 117 D C 1.087 177.309 176.300 -0.130 0.000 1.154 117 D CA -0.005 53.930 54.000 -0.107 0.000 0.876 117 D CB 1.284 42.037 40.800 -0.078 0.000 1.161 117 D HN 0.320 nan 8.370 nan 0.000 0.478 118 V N 2.218 122.008 119.914 -0.207 0.000 3.235 118 V HA -0.077 4.088 4.120 0.074 0.000 0.259 118 V C 1.945 177.914 176.094 -0.208 0.000 1.133 118 V CA 0.276 62.424 62.300 -0.252 0.000 1.128 118 V CB -0.346 31.197 31.823 -0.466 0.000 0.757 118 V HN 0.424 nan 8.190 nan 0.000 0.469 119 M N 0.823 120.334 119.600 -0.149 0.000 2.117 119 M HA 0.048 4.572 4.480 0.074 0.000 0.262 119 M C 0.235 176.516 176.300 -0.031 0.000 1.065 119 M CA 1.476 56.725 55.300 -0.085 0.000 1.114 119 M CB -2.638 29.920 32.600 -0.070 0.000 1.361 119 M HN 0.326 nan 8.290 nan 0.000 0.408 120 P HA -0.162 nan 4.420 nan 0.000 0.216 120 P C 1.504 178.836 177.300 0.054 0.000 1.153 120 P CA 1.255 64.366 63.100 0.018 0.000 0.858 120 P CB -0.075 31.631 31.700 0.011 0.000 0.789 121 E N -0.725 119.489 120.200 0.024 0.000 2.107 121 E HA -0.072 4.322 4.350 0.074 0.000 0.191 121 E C 2.150 178.884 176.600 0.222 0.000 0.982 121 E CA 0.711 57.186 56.400 0.125 0.000 0.809 121 E CB -0.959 28.795 29.700 0.089 0.000 0.756 121 E HN 0.049 nan 8.360 nan 0.000 0.459 122 V N 2.665 122.587 119.914 0.014 0.000 2.252 122 V HA -0.290 3.874 4.120 0.074 0.000 0.249 122 V C 1.962 178.238 176.094 0.303 0.000 1.056 122 V CA 1.933 64.364 62.300 0.218 0.000 1.022 122 V CB -0.511 31.383 31.823 0.118 0.000 0.641 122 V HN 0.231 nan 8.190 nan 0.000 0.445 123 N N -0.375 118.440 118.700 0.191 0.000 2.270 123 N HA -0.124 4.661 4.740 0.074 0.000 0.181 123 N C 1.949 177.575 175.510 0.193 0.000 1.016 123 N CA 1.090 54.252 53.050 0.186 0.000 0.870 123 N CB -0.437 38.121 38.487 0.119 0.000 0.979 123 N HN 0.463 nan 8.380 nan 0.000 0.431 124 R N 0.996 121.609 120.500 0.188 0.000 2.081 124 R HA -0.055 4.329 4.340 0.074 0.000 0.235 124 R C 1.747 178.165 176.300 0.197 0.000 1.131 124 R CA 1.119 57.319 56.100 0.168 0.000 0.960 124 R CB -0.124 30.270 30.300 0.156 0.000 0.856 124 R HN -0.034 nan 8.270 nan 0.000 0.436 125 V N 1.377 121.468 119.914 0.294 0.000 2.358 125 V HA -0.224 3.940 4.120 0.074 0.000 0.246 125 V C 2.396 178.684 176.094 0.322 0.000 1.047 125 V CA 1.517 64.000 62.300 0.305 0.000 1.035 125 V CB -0.379 31.673 31.823 0.382 0.000 0.658 125 V HN 0.330 nan 8.190 nan 0.000 0.452 126 L N -0.195 121.244 121.223 0.359 0.000 2.046 126 L HA -0.204 4.180 4.340 0.074 0.000 0.208 126 L C 2.395 179.377 176.870 0.187 0.000 1.077 126 L CA 1.621 56.715 54.840 0.423 0.000 0.747 126 L CB -0.708 41.656 42.059 0.508 0.000 0.896 126 L HN 0.333 nan 8.230 nan 0.000 0.432 127 D N -0.117 120.356 120.400 0.121 0.000 2.144 127 D HA -0.205 4.479 4.640 0.074 0.000 0.199 127 D C 2.112 178.403 176.300 -0.014 0.000 0.984 127 D CA 1.112 55.111 54.000 -0.002 0.000 0.834 127 D CB -0.037 40.791 40.800 0.047 0.000 0.955 127 D HN 0.219 nan 8.370 nan 0.000 0.465 128 K N 0.055 120.504 120.400 0.081 0.000 2.057 128 K HA -0.083 4.281 4.320 0.074 0.000 0.207 128 K C 2.181 178.945 176.600 0.273 0.000 1.049 128 K CA 0.800 57.159 56.287 0.121 0.000 0.931 128 K CB -0.039 32.491 32.500 0.050 0.000 0.714 128 K HN 0.066 nan 8.250 nan 0.000 0.440 129 M N 0.749 120.521 119.600 0.287 0.000 2.108 129 M HA -0.200 4.325 4.480 0.074 0.000 0.261 129 M C 2.333 178.615 176.300 -0.031 0.000 1.066 129 M CA 1.709 57.142 55.300 0.222 0.000 1.107 129 M CB -0.242 32.496 32.600 0.231 0.000 1.356 129 M HN 0.087 nan 8.290 nan 0.000 0.406 130 K N -0.262 119.825 120.400 -0.522 0.000 2.026 130 K HA -0.186 4.178 4.320 0.074 0.000 0.208 130 K C 2.223 178.674 176.600 -0.248 0.000 1.048 130 K CA 1.863 57.639 56.287 -0.853 0.000 0.929 130 K CB -0.204 31.528 32.500 -1.281 0.000 0.713 130 K HN 0.186 nan 8.250 nan 0.000 0.439 131 S N -0.109 115.533 115.700 -0.096 0.000 2.356 131 S HA -0.181 4.333 4.470 0.074 0.000 0.223 131 S C 1.786 176.459 174.600 0.121 0.000 1.032 131 S CA 1.232 59.450 58.200 0.030 0.000 1.005 131 S CB -0.509 62.735 63.200 0.074 0.000 0.867 131 S HN 0.456 nan 8.310 nan 0.000 0.449 132 F N 1.825 121.800 119.950 0.042 0.000 2.134 132 F HA -0.106 4.466 4.527 0.075 0.000 0.299 132 F C 2.546 178.313 175.800 -0.055 0.000 1.097 132 F CA 1.302 59.325 58.000 0.037 0.000 1.264 132 F CB -1.026 38.059 39.000 0.142 0.000 1.001 132 F HN 0.319 nan 8.300 nan 0.000 0.479 133 C N 0.319 119.565 119.300 -0.091 0.000 2.413 133 C HA -0.207 4.298 4.460 0.074 0.000 0.276 133 C C 2.834 177.735 174.990 -0.148 0.000 1.248 133 C CA 1.367 60.287 59.018 -0.164 0.000 1.742 133 C CB -1.180 26.562 27.740 0.005 0.000 2.017 133 C HN 0.564 nan 8.230 nan 0.000 0.481 134 Q N 1.022 120.778 119.800 -0.074 0.000 2.096 134 Q HA -0.177 4.207 4.340 0.074 0.000 0.204 134 Q C 2.369 178.340 176.000 -0.049 0.000 0.982 134 Q CA 1.685 57.464 55.803 -0.040 0.000 0.850 134 Q CB -0.312 28.420 28.738 -0.010 0.000 0.901 134 Q HN 0.646 nan 8.270 nan 0.000 0.422 135 R N -0.675 119.793 120.500 -0.052 0.000 2.081 135 R HA -0.088 4.297 4.340 0.074 0.000 0.235 135 R C 2.473 178.751 176.300 -0.037 0.000 1.131 135 R CA 1.500 57.610 56.100 0.018 0.000 0.960 135 R CB -0.206 30.193 30.300 0.166 0.000 0.856 135 R HN 0.113 nan 8.270 nan 0.000 0.436 136 V N 0.731 120.469 119.914 -0.293 0.000 2.283 136 V HA -0.183 3.981 4.120 0.074 0.000 0.243 136 V C 2.219 178.217 176.094 -0.160 0.000 1.039 136 V CA 1.625 63.729 62.300 -0.327 0.000 1.016 136 V CB -0.435 30.955 31.823 -0.721 0.000 0.650 136 V HN 0.257 nan 8.190 nan 0.000 0.449 137 R N 0.981 121.391 120.500 -0.150 0.000 2.115 137 R HA -0.118 4.266 4.340 0.074 0.000 0.230 137 R C 2.488 178.767 176.300 -0.035 0.000 1.111 137 R CA 1.557 57.611 56.100 -0.077 0.000 0.976 137 R CB -0.479 29.786 30.300 -0.058 0.000 0.870 137 R HN 0.685 nan 8.270 nan 0.000 0.445 138 S N -0.848 114.837 115.700 -0.025 0.000 2.474 138 S HA 0.014 4.528 4.470 0.074 0.000 0.235 138 S C 1.577 176.183 174.600 0.009 0.000 0.997 138 S CA 0.763 58.962 58.200 -0.002 0.000 0.949 138 S CB 0.239 63.443 63.200 0.006 0.000 0.766 138 S HN 0.530 nan 8.310 nan 0.000 0.517 139 G N 0.938 109.747 108.800 0.014 0.000 2.175 139 G HA2 -0.262 3.742 3.960 0.074 0.000 0.244 139 G HA3 -0.262 3.742 3.960 0.074 0.000 0.244 139 G C 0.433 175.363 174.900 0.051 0.000 0.982 139 G CA 0.396 45.515 45.100 0.032 0.000 0.641 139 G HN 0.497 nan 8.290 nan 0.000 0.527 140 D N -0.817 119.617 120.400 0.058 0.000 2.117 140 D HA -0.026 4.658 4.640 0.074 0.000 0.198 140 D C 1.222 177.575 176.300 0.087 0.000 0.982 140 D CA 0.595 54.630 54.000 0.059 0.000 0.828 140 D CB -0.094 40.740 40.800 0.058 0.000 0.967 140 D HN 0.513 nan 8.370 nan 0.000 0.464 141 W N 2.771 124.035 121.300 -0.061 0.000 2.469 141 W HA 0.081 4.786 4.660 0.075 0.000 0.321 141 W C -0.213 176.277 176.519 -0.048 0.000 1.415 141 W CA 0.065 57.376 57.345 -0.057 0.000 1.308 141 W CB 0.265 29.654 29.460 -0.118 0.000 1.368 141 W HN -0.232 nan 8.180 nan 0.000 0.546 142 K N 4.689 124.984 120.400 -0.175 0.000 2.156 142 K HA 0.494 4.858 4.320 0.074 0.000 0.254 142 K C 0.491 177.044 176.600 -0.078 0.000 0.950 142 K CA -0.600 55.650 56.287 -0.062 0.000 0.849 142 K CB 1.648 34.105 32.500 -0.072 0.000 1.100 142 K HN 0.591 nan 8.250 nan 0.000 0.434 143 G N 0.431 109.271 108.800 0.066 0.000 2.588 143 G HA2 0.064 4.069 3.960 0.074 0.000 0.278 143 G HA3 0.064 4.069 3.960 0.074 0.000 0.278 143 G C 0.691 175.780 174.900 0.316 0.000 1.307 143 G CA -0.223 44.993 45.100 0.194 0.000 1.016 143 G HN 0.730 nan 8.290 nan 0.000 0.503 144 Y N -1.866 118.807 120.300 0.622 0.000 2.483 144 Y HA -0.025 4.569 4.550 0.074 0.000 0.291 144 Y C 2.220 178.216 175.900 0.160 0.000 1.143 144 Y CA 1.527 59.832 58.100 0.342 0.000 1.289 144 Y CB -0.419 38.259 38.460 0.364 0.000 0.983 144 Y HN 0.342 nan 8.280 nan 0.000 0.556 145 T N -3.651 110.656 114.554 -0.412 0.000 3.105 145 T HA 0.484 4.879 4.350 0.074 0.000 0.253 145 T C 1.378 176.001 174.700 -0.129 0.000 1.047 145 T CA 0.130 62.035 62.100 -0.325 0.000 0.944 145 T CB -0.070 68.516 68.868 -0.471 0.000 1.016 145 T HN 0.889 nan 8.240 nan 0.000 0.544 146 G N 1.306 110.070 108.800 -0.060 0.000 2.130 146 G HA2 -0.186 3.818 3.960 0.074 0.000 0.216 146 G HA3 -0.186 3.818 3.960 0.074 0.000 0.216 146 G C -0.246 174.643 174.900 -0.018 0.000 0.999 146 G CA -0.249 44.832 45.100 -0.031 0.000 0.686 146 G HN 0.653 nan 8.290 nan 0.000 0.515 147 K N 0.577 120.975 120.400 -0.003 0.000 2.156 147 K HA 0.633 4.997 4.320 0.074 0.000 0.254 147 K C 0.468 177.101 176.600 0.055 0.000 0.950 147 K CA -0.579 55.719 56.287 0.019 0.000 0.849 147 K CB 1.460 33.969 32.500 0.016 0.000 1.100 147 K HN 0.120 nan 8.250 nan 0.000 0.434 148 S N 1.684 117.415 115.700 0.052 0.000 2.573 148 S HA 0.114 4.628 4.470 0.074 0.000 0.277 148 S C 0.473 175.124 174.600 0.085 0.000 1.346 148 S CA -0.513 57.730 58.200 0.071 0.000 1.034 148 S CB 0.250 63.479 63.200 0.048 0.000 0.879 148 S HN 0.306 nan 8.310 nan 0.000 0.528 149 I N 3.000 123.624 120.570 0.091 0.000 2.496 149 I HA 0.089 4.303 4.170 0.074 0.000 0.285 149 I C 1.673 177.811 176.117 0.035 0.000 1.080 149 I CA 0.327 61.665 61.300 0.063 0.000 1.404 149 I CB 0.421 38.423 38.000 0.004 0.000 1.403 149 I HN 0.879 nan 8.210 nan 0.000 0.539 150 T N 0.400 114.983 114.554 0.048 0.000 2.971 150 T HA 0.251 4.646 4.350 0.074 0.000 0.252 150 T C 0.349 175.091 174.700 0.070 0.000 1.022 150 T CA -0.126 62.008 62.100 0.057 0.000 0.980 150 T CB 0.562 69.475 68.868 0.075 0.000 1.044 150 T HN 0.509 nan 8.240 nan 0.000 0.501 151 D N 1.615 122.041 120.400 0.044 0.000 2.896 151 D HA 0.466 5.151 4.640 0.074 0.000 0.241 151 D C -0.854 175.401 176.300 -0.075 0.000 1.188 151 D CA -0.553 53.487 54.000 0.067 0.000 0.879 151 D CB 2.901 43.744 40.800 0.073 0.000 1.553 151 D HN 0.484 nan 8.370 nan 0.000 0.515 152 I N -1.174 119.354 120.570 -0.071 0.000 2.441 152 I HA 0.607 4.821 4.170 0.074 0.000 0.295 152 I C -1.045 174.920 176.117 -0.252 0.000 0.994 152 I CA -0.931 60.240 61.300 -0.215 0.000 1.144 152 I CB 1.410 39.287 38.000 -0.205 0.000 1.314 152 I HN 0.087 nan 8.210 nan 0.000 0.445 153 I N 4.743 125.071 120.570 -0.404 0.000 2.420 153 I HA 0.321 4.536 4.170 0.074 0.000 0.282 153 I C -0.275 175.675 176.117 -0.277 0.000 1.019 153 I CA -0.231 60.852 61.300 -0.363 0.000 1.130 153 I CB 1.286 38.993 38.000 -0.488 0.000 1.262 153 I HN 0.598 nan 8.210 nan 0.000 0.454 154 N N 6.520 124.992 118.700 -0.381 0.000 2.470 154 N HA 0.459 5.243 4.740 0.074 0.000 0.268 154 N C -0.986 174.468 175.510 -0.093 0.000 1.136 154 N CA 0.001 52.908 53.050 -0.239 0.000 0.961 154 N CB 0.659 38.969 38.487 -0.296 0.000 1.067 154 N HN 0.474 nan 8.380 nan 0.000 0.468 155 I N 2.891 123.444 120.570 -0.028 0.000 2.355 155 I HA 0.605 4.819 4.170 0.074 0.000 0.288 155 I C 0.645 176.743 176.117 -0.032 0.000 0.999 155 I CA -0.526 60.761 61.300 -0.023 0.000 1.163 155 I CB 1.377 39.369 38.000 -0.013 0.000 1.316 155 I HN 0.621 nan 8.210 nan 0.000 0.454 156 G N 6.078 114.869 108.800 -0.015 0.000 2.466 156 G HA2 0.593 4.598 3.960 0.074 0.000 0.291 156 G HA3 0.593 4.598 3.960 0.074 0.000 0.291 156 G C -2.116 172.784 174.900 0.000 0.000 1.460 156 G CA -0.466 44.623 45.100 -0.019 0.000 0.791 156 G HN 0.499 nan 8.290 nan 0.000 0.505 157 I N -0.357 120.205 120.570 -0.013 0.000 2.894 157 I HA 0.640 4.854 4.170 0.074 0.000 0.302 157 I C 1.031 177.128 176.117 -0.032 0.000 1.188 157 I CA 0.772 62.065 61.300 -0.011 0.000 1.014 157 I CB 2.003 39.996 38.000 -0.012 0.000 1.242 157 I HN 1.979 nan 8.210 nan 0.000 0.430 158 G N 3.770 112.541 108.800 -0.048 0.000 2.622 158 G HA2 -0.347 3.657 3.960 0.074 0.000 0.307 158 G HA3 -0.347 3.657 3.960 0.074 0.000 0.307 158 G C 0.918 175.757 174.900 -0.102 0.000 1.226 158 G CA 0.520 45.571 45.100 -0.083 0.000 0.997 158 G HN 1.362 nan 8.290 nan 0.000 0.551 159 G N -0.630 108.109 108.800 -0.101 0.000 2.479 159 G HA2 0.107 4.111 3.960 0.074 0.000 0.220 159 G HA3 0.107 4.111 3.960 0.074 0.000 0.220 159 G C 1.750 176.607 174.900 -0.072 0.000 1.115 159 G CA 1.925 46.962 45.100 -0.105 0.000 0.757 159 G HN 1.201 nan 8.290 nan 0.000 0.560 160 S N -0.568 115.107 115.700 -0.041 0.000 2.605 160 S HA 0.165 4.679 4.470 0.074 0.000 0.217 160 S C 1.150 175.743 174.600 -0.012 0.000 0.958 160 S CA 0.710 58.894 58.200 -0.026 0.000 0.919 160 S CB 0.240 63.446 63.200 0.010 0.000 0.780 160 S HN 0.668 nan 8.310 nan 0.000 0.507 161 D N -0.015 120.366 120.400 -0.032 0.000 2.954 161 D HA 0.107 4.791 4.640 0.074 0.000 0.266 161 D C 1.515 177.734 176.300 -0.135 0.000 1.277 161 D CA -0.151 53.839 54.000 -0.016 0.000 1.130 161 D CB -0.530 40.273 40.800 0.006 0.000 1.440 161 D HN 0.078 nan 8.370 nan 0.000 0.427 162 L N 1.012 122.157 121.223 -0.130 0.000 2.093 162 L HA 0.298 4.682 4.340 0.074 0.000 0.208 162 L C 2.123 178.927 176.870 -0.109 0.000 1.085 162 L CA 2.278 57.032 54.840 -0.142 0.000 0.755 162 L CB -1.018 40.967 42.059 -0.123 0.000 0.904 162 L HN 0.297 nan 8.230 nan 0.000 0.435 163 G N -0.122 108.655 108.800 -0.038 0.000 2.511 163 G HA2 -0.211 3.793 3.960 0.074 0.000 0.216 163 G HA3 -0.211 3.793 3.960 0.074 0.000 0.216 163 G C -0.615 174.075 174.900 -0.350 0.000 1.218 163 G CA 0.893 45.868 45.100 -0.208 0.000 0.788 163 G HN 0.343 nan 8.290 nan 0.000 0.560 164 P HA -0.078 nan 4.420 nan 0.000 0.216 164 P C 2.084 179.115 177.300 -0.449 0.000 1.150 164 P CA 0.619 63.609 63.100 -0.185 0.000 0.837 164 P CB -0.111 31.634 31.700 0.075 0.000 0.786 165 L N -1.546 119.122 121.223 -0.925 0.000 1.994 165 L HA -0.154 4.231 4.340 0.074 0.000 0.208 165 L C 2.374 178.896 176.870 -0.580 0.000 1.071 165 L CA 1.761 55.825 54.840 -1.294 0.000 0.745 165 L CB -0.619 40.782 42.059 -1.097 0.000 0.892 165 L HN -0.060 nan 8.230 nan 0.000 0.431 166 M N -0.723 118.617 119.600 -0.434 0.000 2.117 166 M HA -0.171 4.354 4.480 0.074 0.000 0.262 166 M C 2.121 178.273 176.300 -0.247 0.000 1.065 166 M CA 1.983 57.090 55.300 -0.322 0.000 1.114 166 M CB -0.485 31.909 32.600 -0.343 0.000 1.361 166 M HN 0.222 nan 8.290 nan 0.000 0.408 167 V N 0.693 120.435 119.914 -0.287 0.000 2.379 167 V HA -0.221 3.943 4.120 0.074 0.000 0.245 167 V C 2.593 178.641 176.094 -0.076 0.000 1.044 167 V CA 2.166 64.350 62.300 -0.193 0.000 1.036 167 V CB -1.456 30.220 31.823 -0.245 0.000 0.664 167 V HN 0.676 nan 8.190 nan 0.000 0.453 168 T N -2.312 112.215 114.554 -0.046 0.000 2.867 168 T HA -0.166 4.228 4.350 0.074 0.000 0.268 168 T C 1.707 176.461 174.700 0.090 0.000 1.057 168 T CA 1.197 63.355 62.100 0.097 0.000 1.136 168 T CB -0.245 68.717 68.868 0.157 0.000 0.874 168 T HN 0.395 nan 8.240 nan 0.000 0.466 169 E N 1.836 122.049 120.200 0.021 0.000 2.047 169 E HA 0.052 4.447 4.350 0.074 0.000 0.191 169 E C 2.637 179.317 176.600 0.133 0.000 0.987 169 E CA 1.346 57.815 56.400 0.114 0.000 0.799 169 E CB -0.730 29.019 29.700 0.081 0.000 0.752 169 E HN 0.683 nan 8.360 nan 0.000 0.449 170 A N 0.697 123.555 122.820 0.063 0.000 2.015 170 A HA -0.062 4.303 4.320 0.074 0.000 0.219 170 A C 1.973 179.534 177.584 -0.040 0.000 1.163 170 A CA 0.827 52.911 52.037 0.079 0.000 0.646 170 A CB -0.251 18.782 19.000 0.056 0.000 0.806 170 A HN 0.171 nan 8.150 nan 0.000 0.448 171 L N -1.137 120.056 121.223 -0.051 0.000 2.872 171 L HA 0.158 4.542 4.340 0.074 0.000 0.245 171 L C 1.649 178.469 176.870 -0.082 0.000 1.211 171 L CA -0.220 54.617 54.840 -0.005 0.000 1.013 171 L CB 0.196 42.258 42.059 0.005 0.000 1.326 171 L HN 0.150 nan 8.230 nan 0.000 0.525 172 K N 1.977 122.210 120.400 -0.279 0.000 2.074 172 K HA -0.140 4.224 4.320 0.074 0.000 0.209 172 K C -0.746 175.667 176.600 -0.312 0.000 1.048 172 K CA 1.832 57.979 56.287 -0.233 0.000 0.926 172 K CB -0.946 31.469 32.500 -0.142 0.000 0.713 172 K HN 0.131 nan 8.250 nan 0.000 0.444 173 P HA -0.106 nan 4.420 nan 0.000 0.225 173 P C 0.140 177.098 177.300 -0.571 0.000 1.148 173 P CA 1.121 63.916 63.100 -0.508 0.000 0.779 173 P CB -0.043 31.228 31.700 -0.714 0.000 0.780 174 Y N -0.913 119.210 120.300 -0.294 0.000 2.470 174 Y HA 0.099 4.693 4.550 0.074 0.000 0.284 174 Y C 1.901 177.670 175.900 -0.218 0.000 1.188 174 Y CA 0.278 58.188 58.100 -0.315 0.000 1.269 174 Y CB -0.443 37.653 38.460 -0.608 0.000 1.094 174 Y HN 0.042 nan 8.280 nan 0.000 0.518 175 S N -1.148 114.438 115.700 -0.189 0.000 2.557 175 S HA 0.147 4.661 4.470 0.074 0.000 0.223 175 S C 0.283 174.751 174.600 -0.221 0.000 0.969 175 S CA -0.646 57.341 58.200 -0.355 0.000 0.927 175 S CB -0.231 62.459 63.200 -0.849 0.000 0.806 175 S HN 0.127 nan 8.310 nan 0.000 0.489 176 K N 1.571 121.900 120.400 -0.117 0.000 2.447 176 K HA 0.377 4.742 4.320 0.074 0.000 0.281 176 K C 1.134 177.711 176.600 -0.038 0.000 1.031 176 K CA 0.753 57.002 56.287 -0.065 0.000 1.019 176 K CB 0.025 32.498 32.500 -0.045 0.000 0.918 176 K HN 0.415 nan 8.250 nan 0.000 0.476 177 G N 1.810 110.592 108.800 -0.030 0.000 2.159 177 G HA2 -0.231 3.774 3.960 0.074 0.000 0.256 177 G HA3 -0.231 3.774 3.960 0.074 0.000 0.256 177 G C 0.355 175.242 174.900 -0.021 0.000 0.977 177 G CA -0.137 44.954 45.100 -0.015 0.000 0.652 177 G HN 0.865 nan 8.290 nan 0.000 0.531 178 G N -0.087 108.686 108.800 -0.045 0.000 2.471 178 G HA2 0.795 4.799 3.960 0.074 0.000 0.332 178 G HA3 0.795 4.799 3.960 0.074 0.000 0.332 178 G C -1.913 172.998 174.900 0.017 0.000 1.176 178 G CA -0.820 44.260 45.100 -0.033 0.000 0.949 178 G HN 0.234 nan 8.290 nan 0.000 0.488 179 P HA 0.206 nan 4.420 nan 0.000 0.272 179 P C -0.165 177.217 177.300 0.138 0.000 1.223 179 P CA -0.400 62.737 63.100 0.060 0.000 0.784 179 P CB 1.129 32.832 31.700 0.005 0.000 0.923 180 R N 0.242 120.800 120.500 0.097 0.000 2.623 180 R HA 0.276 4.660 4.340 0.074 0.000 0.271 180 R C -0.027 176.218 176.300 -0.093 0.000 1.043 180 R CA -0.151 55.965 56.100 0.028 0.000 1.083 180 R CB 0.220 30.545 30.300 0.040 0.000 0.974 180 R HN 0.290 nan 8.270 nan 0.000 0.436 181 V N 4.172 123.848 119.914 -0.395 0.000 2.555 181 V HA 0.471 4.636 4.120 0.074 0.000 0.302 181 V C -1.465 174.277 176.094 -0.587 0.000 1.038 181 V CA -0.636 61.368 62.300 -0.494 0.000 0.887 181 V CB 1.138 32.531 31.823 -0.717 0.000 0.991 181 V HN 0.656 nan 8.190 nan 0.000 0.434 182 W N 5.035 126.022 121.300 -0.522 0.000 2.761 182 W HA 0.710 5.413 4.660 0.072 0.000 0.340 182 W C -1.051 175.069 176.519 -0.665 0.000 1.072 182 W CA -0.704 56.407 57.345 -0.389 0.000 1.215 182 W CB 1.687 30.978 29.460 -0.281 0.000 1.420 182 W HN 0.384 nan 8.180 nan 0.000 0.519 183 F N 2.106 122.095 119.950 0.065 0.000 2.477 183 F HA 0.594 5.164 4.527 0.072 0.000 0.335 183 F C -0.220 175.472 175.800 -0.180 0.000 1.130 183 F CA -1.167 56.812 58.000 -0.036 0.000 0.948 183 F CB 1.249 40.228 39.000 -0.034 0.000 1.154 183 F HN -0.178 nan 8.300 nan 0.000 0.439 184 V N 2.914 122.748 119.914 -0.135 0.000 2.417 184 V HA 0.473 4.638 4.120 0.074 0.000 0.291 184 V C 0.024 176.007 176.094 -0.184 0.000 1.024 184 V CA -0.056 61.978 62.300 -0.442 0.000 0.861 184 V CB 1.536 33.200 31.823 -0.265 0.000 0.985 184 V HN 0.951 nan 8.190 nan 0.000 0.436 185 S N 2.782 118.429 115.700 -0.089 0.000 3.552 185 S HA 0.151 4.666 4.470 0.074 0.000 0.251 185 S C 0.618 175.316 174.600 0.163 0.000 1.119 185 S CA -0.214 58.050 58.200 0.107 0.000 0.830 185 S CB -0.150 63.144 63.200 0.157 0.000 0.946 185 S HN 0.537 nan 8.310 nan 0.000 0.470 186 N N 1.698 120.610 118.700 0.352 0.000 2.454 186 N HA 0.166 4.950 4.740 0.074 0.000 0.254 186 N C 0.782 176.364 175.510 0.120 0.000 1.228 186 N CA -0.048 53.107 53.050 0.176 0.000 0.900 186 N CB 0.853 39.401 38.487 0.102 0.000 1.089 186 N HN 0.334 nan 8.380 nan 0.000 0.449 187 I N 1.882 122.486 120.570 0.056 0.000 2.394 187 I HA -0.138 4.076 4.170 0.074 0.000 0.251 187 I C 0.324 176.465 176.117 0.041 0.000 1.136 187 I CA 0.698 62.019 61.300 0.035 0.000 1.425 187 I CB -0.598 37.411 38.000 0.015 0.000 1.079 187 I HN 0.571 nan 8.210 nan 0.000 0.425 188 D N 0.657 121.081 120.400 0.041 0.000 2.662 188 D HA -0.064 4.620 4.640 0.074 0.000 0.237 188 D C 1.589 177.922 176.300 0.055 0.000 1.154 188 D CA 0.924 54.944 54.000 0.034 0.000 0.861 188 D CB 0.691 41.498 40.800 0.012 0.000 1.146 188 D HN 0.362 nan 8.370 nan 0.000 0.518 189 G N 3.264 112.086 108.800 0.037 0.000 2.462 189 G HA2 -0.293 3.711 3.960 0.074 0.000 0.220 189 G HA3 -0.293 3.711 3.960 0.074 0.000 0.220 189 G C 1.507 176.433 174.900 0.044 0.000 1.121 189 G CA 1.120 46.241 45.100 0.034 0.000 0.758 189 G HN 0.589 nan 8.290 nan 0.000 0.559 190 T N -0.440 114.142 114.554 0.047 0.000 2.685 190 T HA -0.197 4.198 4.350 0.074 0.000 0.268 190 T C 1.877 176.644 174.700 0.112 0.000 1.034 190 T CA 1.579 63.711 62.100 0.054 0.000 1.149 190 T CB -0.379 68.507 68.868 0.030 0.000 0.860 190 T HN 0.609 nan 8.240 nan 0.000 0.449 191 H N -0.599 118.477 119.070 0.009 0.000 2.270 191 H HA -0.049 4.550 4.556 0.071 0.000 0.299 191 H C 2.375 177.702 175.328 -0.001 0.000 1.077 191 H CA 1.268 57.328 56.048 0.021 0.000 1.294 191 H CB -0.080 29.698 29.762 0.028 0.000 1.371 191 H HN 0.184 nan 8.280 nan 0.000 0.491 192 I N 0.804 121.406 120.570 0.054 0.000 2.315 192 I HA -0.150 4.065 4.170 0.074 0.000 0.248 192 I C 2.423 178.471 176.117 -0.114 0.000 1.117 192 I CA 1.323 62.578 61.300 -0.076 0.000 1.404 192 I CB -0.523 37.427 38.000 -0.084 0.000 1.071 192 I HN 0.322 nan 8.210 nan 0.000 0.419 193 A N 0.141 122.929 122.820 -0.054 0.000 1.877 193 A HA -0.190 4.174 4.320 0.074 0.000 0.216 193 A C 2.304 179.846 177.584 -0.069 0.000 1.186 193 A CA 1.522 53.519 52.037 -0.067 0.000 0.620 193 A CB -0.539 18.451 19.000 -0.016 0.000 0.822 193 A HN 0.297 nan 8.150 nan 0.000 0.443 194 K N -0.598 119.795 120.400 -0.011 0.000 2.155 194 K HA -0.052 4.313 4.320 0.074 0.000 0.203 194 K C 2.069 178.644 176.600 -0.043 0.000 1.052 194 K CA 1.559 57.853 56.287 0.012 0.000 0.948 194 K CB -0.664 31.885 32.500 0.082 0.000 0.728 194 K HN 0.529 nan 8.250 nan 0.000 0.448 195 T N 2.244 116.738 114.554 -0.101 0.000 2.701 195 T HA -0.044 4.350 4.350 0.074 0.000 0.263 195 T C 1.993 176.372 174.700 -0.535 0.000 1.040 195 T CA 0.920 62.828 62.100 -0.320 0.000 1.147 195 T CB -0.161 68.556 68.868 -0.251 0.000 0.865 195 T HN 0.108 nan 8.240 nan 0.000 0.426 196 L N 0.906 121.840 121.223 -0.481 0.000 2.191 196 L HA -0.034 4.350 4.340 0.074 0.000 0.212 196 L C 2.954 179.626 176.870 -0.331 0.000 1.103 196 L CA 0.873 55.308 54.840 -0.676 0.000 0.769 196 L CB -0.679 40.760 42.059 -1.034 0.000 0.908 196 L HN 0.245 nan 8.230 nan 0.000 0.438 197 A N -1.050 121.657 122.820 -0.188 0.000 2.070 197 A HA -0.127 4.238 4.320 0.074 0.000 0.220 197 A C 2.310 179.877 177.584 -0.029 0.000 1.159 197 A CA 1.657 53.669 52.037 -0.041 0.000 0.656 197 A CB -0.273 18.719 19.000 -0.012 0.000 0.800 197 A HN 0.339 nan 8.150 nan 0.000 0.453 198 S N -1.004 114.613 115.700 -0.138 0.000 2.577 198 S HA 0.438 4.953 4.470 0.074 0.000 0.219 198 S C 0.163 174.688 174.600 -0.125 0.000 0.962 198 S CA -0.160 57.980 58.200 -0.100 0.000 0.921 198 S CB -0.206 62.935 63.200 -0.097 0.000 0.789 198 S HN 0.398 nan 8.310 nan 0.000 0.497 199 L N 0.316 121.475 121.223 -0.107 0.000 2.323 199 L HA 0.590 4.974 4.340 0.074 0.000 0.265 199 L C -0.099 176.933 176.870 0.269 0.000 1.012 199 L CA -0.633 54.199 54.840 -0.013 0.000 0.820 199 L CB 1.968 43.913 42.059 -0.191 0.000 1.334 199 L HN -0.052 nan 8.230 nan 0.000 0.427 200 S N 0.465 116.321 115.700 0.259 0.000 2.451 200 S HA 0.457 4.971 4.470 0.074 0.000 0.301 200 S C -2.024 172.783 174.600 0.345 0.000 1.116 200 S CA -1.559 56.798 58.200 0.262 0.000 1.093 200 S CB 1.576 64.862 63.200 0.143 0.000 1.017 200 S HN 0.330 nan 8.310 nan 0.000 0.482 201 P HA -0.066 nan 4.420 nan 0.000 0.219 201 P C 0.665 178.193 177.300 0.381 0.000 1.146 201 P CA 1.072 64.267 63.100 0.159 0.000 0.808 201 P CB 0.109 31.595 31.700 -0.357 0.000 0.779 202 E N -1.119 119.241 120.200 0.268 0.000 2.208 202 E HA -0.068 4.326 4.350 0.074 0.000 0.193 202 E C 0.938 177.751 176.600 0.355 0.000 0.988 202 E CA 1.574 58.087 56.400 0.187 0.000 0.828 202 E CB -0.360 29.304 29.700 -0.060 0.000 0.763 202 E HN 0.382 nan 8.360 nan 0.000 0.478 203 T N -2.652 112.086 114.554 0.306 0.000 3.170 203 T HA 0.244 4.638 4.350 0.074 0.000 0.288 203 T C 0.233 175.046 174.700 0.187 0.000 0.992 203 T CA -0.527 61.712 62.100 0.232 0.000 0.909 203 T CB 0.697 69.646 68.868 0.135 0.000 1.133 203 T HN -0.205 nan 8.240 nan 0.000 0.530 204 S N 1.949 117.799 115.700 0.249 0.000 2.451 204 S HA 0.718 5.232 4.470 0.074 0.000 0.301 204 S C -0.936 173.643 174.600 -0.035 0.000 1.116 204 S CA -0.753 57.443 58.200 -0.006 0.000 1.093 204 S CB 1.622 64.758 63.200 -0.106 0.000 1.017 204 S HN 0.480 nan 8.310 nan 0.000 0.482 205 L N 4.131 125.188 121.223 -0.275 0.000 2.305 205 L HA 0.656 5.041 4.340 0.074 0.000 0.284 205 L C -1.605 174.953 176.870 -0.520 0.000 1.013 205 L CA -0.294 54.384 54.840 -0.271 0.000 0.819 205 L CB 0.191 42.133 42.059 -0.194 0.000 1.227 205 L HN 0.488 nan 8.230 nan 0.000 0.417 206 F N 5.634 125.340 119.950 -0.407 0.000 2.394 206 F HA 0.527 5.097 4.527 0.073 0.000 0.340 206 F C 0.167 175.818 175.800 -0.248 0.000 1.105 206 F CA -0.282 57.456 58.000 -0.437 0.000 1.124 206 F CB 1.186 39.694 39.000 -0.819 0.000 1.145 206 F HN 0.266 nan 8.300 nan 0.000 0.505 207 I N 5.160 125.727 120.570 -0.005 0.000 2.390 207 I HA 0.250 4.464 4.170 0.074 0.000 0.283 207 I C -0.896 175.246 176.117 0.042 0.000 1.016 207 I CA -0.521 60.774 61.300 -0.009 0.000 1.151 207 I CB 0.919 38.853 38.000 -0.110 0.000 1.293 207 I HN 0.299 nan 8.210 nan 0.000 0.458 208 I N 5.780 126.420 120.570 0.115 0.000 2.291 208 I HA 0.339 4.553 4.170 0.074 0.000 0.292 208 I C 0.716 176.899 176.117 0.111 0.000 1.064 208 I CA -0.321 61.018 61.300 0.065 0.000 1.269 208 I CB 0.612 38.624 38.000 0.021 0.000 1.418 208 I HN 0.511 nan 8.210 nan 0.000 0.485 209 A N 4.981 127.820 122.820 0.031 0.000 2.253 209 A HA 0.633 4.997 4.320 0.074 0.000 0.316 209 A C 0.173 177.795 177.584 0.063 0.000 1.327 209 A CA -0.340 51.740 52.037 0.072 0.000 0.917 209 A CB 0.650 19.662 19.000 0.020 0.000 1.162 209 A HN 0.638 nan 8.150 nan 0.000 0.535 210 S N 2.120 117.930 115.700 0.183 0.000 2.616 210 S HA 0.242 4.756 4.470 0.074 0.000 0.276 210 S C 0.588 175.339 174.600 0.252 0.000 1.159 210 S CA -0.507 57.777 58.200 0.141 0.000 1.000 210 S CB 0.970 64.116 63.200 -0.090 0.000 1.117 210 S HN 0.789 nan 8.310 nan 0.000 0.464 211 K N 2.167 122.713 120.400 0.243 0.000 2.020 211 K HA -0.136 4.228 4.320 0.074 0.000 0.212 211 K C 1.835 178.386 176.600 -0.081 0.000 1.050 211 K CA 2.586 58.886 56.287 0.021 0.000 0.929 211 K CB -0.424 32.136 32.500 0.101 0.000 0.714 211 K HN 0.789 nan 8.250 nan 0.000 0.443 212 T N -2.634 111.927 114.554 0.011 0.000 3.014 212 T HA -0.049 4.345 4.350 0.074 0.000 0.263 212 T C 0.973 175.746 174.700 0.121 0.000 1.078 212 T CA 0.597 62.709 62.100 0.019 0.000 1.135 212 T CB -0.343 68.534 68.868 0.014 0.000 0.895 212 T HN 0.369 nan 8.240 nan 0.000 0.480 213 F N 2.171 122.078 119.950 -0.072 0.000 3.084 213 F HA -0.293 4.278 4.527 0.073 0.000 0.286 213 F C 1.094 176.859 175.800 -0.057 0.000 0.855 213 F CA 1.021 58.975 58.000 -0.078 0.000 1.091 213 F CB -1.608 37.340 39.000 -0.087 0.000 1.177 213 F HN 0.529 nan 8.300 nan 0.000 0.542 214 T N -5.319 109.227 114.554 -0.013 0.000 3.016 214 T HA 0.165 4.560 4.350 0.074 0.000 0.271 214 T C 0.597 175.265 174.700 -0.054 0.000 0.968 214 T CA 0.548 62.636 62.100 -0.019 0.000 0.891 214 T CB 0.135 69.017 68.868 0.023 0.000 1.149 214 T HN 0.094 nan 8.240 nan 0.000 0.524 215 T N 3.253 117.760 114.554 -0.078 0.000 2.871 215 T HA 0.045 4.439 4.350 0.074 0.000 0.296 215 T C 1.243 175.896 174.700 -0.078 0.000 0.998 215 T CA 0.137 62.197 62.100 -0.067 0.000 1.162 215 T CB 1.296 70.122 68.868 -0.070 0.000 0.947 215 T HN 0.424 nan 8.240 nan 0.000 0.536 216 Q N 2.529 122.302 119.800 -0.045 0.000 2.061 216 Q HA -0.212 4.173 4.340 0.074 0.000 0.204 216 Q C 1.767 177.740 176.000 -0.045 0.000 0.984 216 Q CA 1.917 57.698 55.803 -0.037 0.000 0.846 216 Q CB 0.046 28.775 28.738 -0.015 0.000 0.902 216 Q HN 0.744 nan 8.270 nan 0.000 0.421 217 E N -0.426 119.749 120.200 -0.040 0.000 2.051 217 E HA -0.150 4.244 4.350 0.074 0.000 0.192 217 E C 2.025 178.588 176.600 -0.061 0.000 0.991 217 E CA 1.950 58.330 56.400 -0.034 0.000 0.799 217 E CB -0.222 29.468 29.700 -0.017 0.000 0.748 217 E HN 0.334 nan 8.360 nan 0.000 0.449 218 T N 1.011 115.505 114.554 -0.100 0.000 2.737 218 T HA -0.081 4.313 4.350 0.074 0.000 0.265 218 T C 1.726 176.286 174.700 -0.234 0.000 1.038 218 T CA 0.839 62.842 62.100 -0.162 0.000 1.144 218 T CB -0.097 68.650 68.868 -0.201 0.000 0.866 218 T HN 0.026 nan 8.240 nan 0.000 0.434 219 I N 1.851 122.270 120.570 -0.251 0.000 2.286 219 I HA -0.110 4.104 4.170 0.074 0.000 0.248 219 I C 2.596 178.658 176.117 -0.092 0.000 1.115 219 I CA 1.414 62.561 61.300 -0.254 0.000 1.392 219 I CB -1.882 36.002 38.000 -0.194 0.000 1.065 219 I HN 0.264 nan 8.210 nan 0.000 0.418 220 T N 1.374 115.894 114.554 -0.055 0.000 2.708 220 T HA -0.132 4.263 4.350 0.074 0.000 0.266 220 T C 1.795 176.491 174.700 -0.007 0.000 1.037 220 T CA 1.355 63.449 62.100 -0.011 0.000 1.146 220 T CB -0.252 68.611 68.868 -0.008 0.000 0.865 220 T HN 0.259 nan 8.240 nan 0.000 0.435 221 N N 1.412 120.092 118.700 -0.033 0.000 2.104 221 N HA -0.053 4.731 4.740 0.074 0.000 0.190 221 N C 2.133 177.630 175.510 -0.022 0.000 1.024 221 N CA 1.423 54.453 53.050 -0.033 0.000 0.853 221 N CB -0.562 37.897 38.487 -0.047 0.000 1.008 221 N HN 0.433 nan 8.380 nan 0.000 0.424 222 A N 1.383 124.177 122.820 -0.042 0.000 1.902 222 A HA -0.148 4.217 4.320 0.074 0.000 0.217 222 A C 2.090 179.827 177.584 0.255 0.000 1.181 222 A CA 1.392 53.446 52.037 0.028 0.000 0.623 222 A CB -0.452 18.354 19.000 -0.323 0.000 0.818 222 A HN 0.363 nan 8.150 nan 0.000 0.443 223 E N -0.908 119.436 120.200 0.239 0.000 2.106 223 E HA -0.117 4.278 4.350 0.074 0.000 0.192 223 E C 2.065 178.717 176.600 0.087 0.000 0.984 223 E CA 1.466 57.987 56.400 0.202 0.000 0.806 223 E CB -0.351 29.440 29.700 0.152 0.000 0.750 223 E HN 0.581 nan 8.360 nan 0.000 0.458 224 T N 1.160 115.752 114.554 0.062 0.000 2.684 224 T HA -0.186 4.209 4.350 0.074 0.000 0.267 224 T C 2.036 176.775 174.700 0.065 0.000 1.036 224 T CA 1.363 63.491 62.100 0.046 0.000 1.148 224 T CB -0.256 68.619 68.868 0.012 0.000 0.863 224 T HN 0.260 nan 8.240 nan 0.000 0.436 225 A N 1.432 124.255 122.820 0.005 0.000 1.908 225 A HA -0.150 4.215 4.320 0.074 0.000 0.218 225 A C 2.217 179.919 177.584 0.197 0.000 1.181 225 A CA 2.116 54.101 52.037 -0.088 0.000 0.627 225 A CB -0.557 18.145 19.000 -0.498 0.000 0.818 225 A HN 0.495 nan 8.150 nan 0.000 0.445 226 K N -0.321 120.170 120.400 0.152 0.000 2.057 226 K HA -0.188 4.177 4.320 0.074 0.000 0.206 226 K C 2.103 178.758 176.600 0.091 0.000 1.050 226 K CA 1.598 57.877 56.287 -0.013 0.000 0.935 226 K CB -0.167 32.099 32.500 -0.390 0.000 0.715 226 K HN 0.639 nan 8.250 nan 0.000 0.439 227 E N -0.423 119.822 120.200 0.076 0.000 2.051 227 E HA -0.239 4.156 4.350 0.074 0.000 0.192 227 E C 1.790 178.467 176.600 0.129 0.000 0.991 227 E CA 1.448 57.886 56.400 0.063 0.000 0.799 227 E CB -0.280 29.451 29.700 0.052 0.000 0.748 227 E HN 0.516 nan 8.360 nan 0.000 0.449 228 W N 0.515 121.823 121.300 0.014 0.000 2.338 228 W HA -0.260 4.445 4.660 0.075 0.000 0.304 228 W C 1.943 178.496 176.519 0.058 0.000 1.212 228 W CA 1.961 59.324 57.345 0.030 0.000 1.264 228 W CB -0.630 28.857 29.460 0.043 0.000 1.142 228 W HN 0.194 nan 8.180 nan 0.000 0.512 229 F N 0.786 120.798 119.950 0.104 0.000 2.102 229 F HA -0.180 4.392 4.527 0.075 0.000 0.298 229 F C 2.060 177.699 175.800 -0.269 0.000 1.105 229 F CA 2.233 60.157 58.000 -0.126 0.000 1.239 229 F CB -0.798 38.354 39.000 0.254 0.000 0.991 229 F HN -0.162 nan 8.300 nan 0.000 0.474 230 L N -0.101 120.991 121.223 -0.218 0.000 2.201 230 L HA -0.149 4.235 4.340 0.074 0.000 0.212 230 L C 2.248 178.907 176.870 -0.353 0.000 1.105 230 L CA 1.129 55.763 54.840 -0.344 0.000 0.775 230 L CB -0.631 41.345 42.059 -0.138 0.000 0.913 230 L HN 0.137 nan 8.230 nan 0.000 0.440 231 E N 0.126 120.156 120.200 -0.284 0.000 2.160 231 E HA -0.211 4.183 4.350 0.074 0.000 0.195 231 E C 2.114 178.521 176.600 -0.322 0.000 0.991 231 E CA 1.462 57.713 56.400 -0.248 0.000 0.810 231 E CB 0.015 29.605 29.700 -0.183 0.000 0.742 231 E HN 0.479 nan 8.360 nan 0.000 0.466 232 A N -0.084 122.445 122.820 -0.485 0.000 1.901 232 A HA 0.268 4.632 4.320 0.074 0.000 0.210 232 A C 2.222 179.500 177.584 -0.511 0.000 1.208 232 A CA 1.021 52.786 52.037 -0.454 0.000 0.644 232 A CB -0.449 18.246 19.000 -0.509 0.000 0.863 232 A HN 0.286 nan 8.150 nan 0.000 0.454 233 A N -0.666 121.568 122.820 -0.975 0.000 1.930 233 A HA 0.123 4.487 4.320 0.074 0.000 0.215 233 A C 1.211 178.451 177.584 -0.574 0.000 1.176 233 A CA 1.309 52.609 52.037 -1.228 0.000 0.632 233 A CB -0.381 17.380 19.000 -2.065 0.000 0.819 233 A HN 0.486 nan 8.150 nan 0.000 0.445 234 K N -0.578 119.554 120.400 -0.447 0.000 3.069 234 K HA -0.191 4.174 4.320 0.074 0.000 0.267 234 K C -0.845 175.647 176.600 -0.180 0.000 1.082 234 K CA 0.969 57.107 56.287 -0.248 0.000 0.782 234 K CB -1.447 30.948 32.500 -0.176 0.000 1.230 234 K HN 0.568 nan 8.250 nan 0.000 0.488 235 D N -1.318 118.964 120.400 -0.197 0.000 2.591 235 D HA 0.199 4.883 4.640 0.074 0.000 0.222 235 D C -2.229 174.045 176.300 -0.042 0.000 1.360 235 D CA -1.975 51.967 54.000 -0.097 0.000 0.967 235 D CB 1.688 42.448 40.800 -0.066 0.000 1.456 235 D HN -0.288 nan 8.370 nan 0.000 0.588 236 P HA -0.122 nan 4.420 nan 0.000 0.218 236 P C 1.353 178.679 177.300 0.044 0.000 1.148 236 P CA 1.090 64.187 63.100 -0.007 0.000 0.822 236 P CB 0.240 31.918 31.700 -0.035 0.000 0.784 237 S N -0.651 115.080 115.700 0.051 0.000 2.447 237 S HA -0.056 4.458 4.470 0.074 0.000 0.233 237 S C 2.001 176.694 174.600 0.155 0.000 1.006 237 S CA 0.935 59.183 58.200 0.080 0.000 0.957 237 S CB -1.197 62.038 63.200 0.058 0.000 0.773 237 S HN 0.121 nan 8.310 nan 0.000 0.507 238 A N 1.324 124.268 122.820 0.208 0.000 2.066 238 A HA 0.174 4.539 4.320 0.074 0.000 0.218 238 A C 2.256 180.157 177.584 0.530 0.000 1.157 238 A CA 1.114 53.383 52.037 0.388 0.000 0.670 238 A CB -0.890 18.293 19.000 0.305 0.000 0.804 238 A HN 0.446 nan 8.150 nan 0.000 0.453 239 V N -0.010 120.137 119.914 0.388 0.000 2.392 239 V HA -0.308 3.856 4.120 0.074 0.000 0.249 239 V C 2.966 179.256 176.094 0.326 0.000 1.059 239 V CA 1.887 64.340 62.300 0.255 0.000 1.051 239 V CB -1.139 30.699 31.823 0.025 0.000 0.658 239 V HN 0.607 nan 8.190 nan 0.000 0.455 240 A N -0.470 122.513 122.820 0.272 0.000 2.125 240 A HA -0.193 4.172 4.320 0.074 0.000 0.219 240 A C 2.157 179.968 177.584 0.379 0.000 1.156 240 A CA 1.557 53.761 52.037 0.278 0.000 0.671 240 A CB -0.350 18.758 19.000 0.181 0.000 0.794 240 A HN 0.617 nan 8.150 nan 0.000 0.459 241 K N -1.572 119.056 120.400 0.382 0.000 2.393 241 K HA 0.109 4.473 4.320 0.074 0.000 0.193 241 K C 0.601 177.373 176.600 0.286 0.000 1.026 241 K CA 0.535 57.034 56.287 0.354 0.000 1.064 241 K CB 0.152 32.752 32.500 0.167 0.000 0.833 241 K HN 0.594 nan 8.250 nan 0.000 0.521 242 H N -1.553 117.741 119.070 0.373 0.000 3.398 242 H HA 0.206 4.806 4.556 0.073 0.000 0.260 242 H C -0.742 174.560 175.328 -0.043 0.000 1.189 242 H CA -0.013 56.111 56.048 0.127 0.000 1.145 242 H CB 0.775 30.393 29.762 -0.239 0.000 1.599 242 H HN -0.049 nan 8.280 nan 0.000 0.615 243 F N 1.823 121.910 119.950 0.227 0.000 2.562 243 F HA 0.352 4.922 4.527 0.072 0.000 0.319 243 F C 0.028 175.938 175.800 0.184 0.000 1.154 243 F CA -1.134 57.001 58.000 0.224 0.000 0.931 243 F CB 2.060 41.193 39.000 0.221 0.000 1.198 243 F HN -0.231 nan 8.300 nan 0.000 0.444 244 V N 0.368 120.435 119.914 0.255 0.000 3.074 244 V HA 1.022 5.187 4.120 0.074 0.000 0.314 244 V C -0.897 175.319 176.094 0.203 0.000 1.117 244 V CA -1.052 61.351 62.300 0.172 0.000 1.014 244 V CB 1.604 33.432 31.823 0.008 0.000 1.057 244 V HN 0.908 nan 8.190 nan 0.000 0.438 245 A N 3.135 126.068 122.820 0.189 0.000 2.371 245 A HA 0.896 5.260 4.320 0.074 0.000 0.311 245 A C -0.874 176.827 177.584 0.196 0.000 1.068 245 A CA -0.785 51.368 52.037 0.194 0.000 0.744 245 A CB 1.374 20.375 19.000 0.002 0.000 1.239 245 A HN 1.083 nan 8.150 nan 0.000 0.435 246 L N 1.918 123.273 121.223 0.221 0.000 2.294 246 L HA 0.752 5.137 4.340 0.074 0.000 0.283 246 L C 0.113 177.205 176.870 0.371 0.000 1.015 246 L CA -0.268 54.721 54.840 0.248 0.000 0.831 246 L CB 1.138 43.275 42.059 0.130 0.000 1.217 246 L HN 0.653 nan 8.230 nan 0.000 0.420 247 S N 0.108 115.941 115.700 0.221 0.000 2.611 247 S HA 0.428 4.942 4.470 0.074 0.000 0.268 247 S C 0.406 174.672 174.600 -0.556 0.000 1.156 247 S CA 0.198 58.346 58.200 -0.086 0.000 0.817 247 S CB 1.865 65.011 63.200 -0.089 0.000 1.122 247 S HN 0.721 nan 8.310 nan 0.000 0.466 248 T N -0.553 113.594 114.554 -0.678 0.000 3.023 248 T HA 0.302 4.697 4.350 0.074 0.000 0.253 248 T C 0.245 174.737 174.700 -0.347 0.000 1.038 248 T CA 0.036 61.765 62.100 -0.618 0.000 0.962 248 T CB -0.248 68.224 68.868 -0.661 0.000 1.018 248 T HN 0.314 nan 8.240 nan 0.000 0.521 249 N N 1.753 120.289 118.700 -0.272 0.000 2.955 249 N HA 0.268 5.052 4.740 0.074 0.000 0.242 249 N C 0.774 176.148 175.510 -0.226 0.000 1.123 249 N CA -0.048 52.891 53.050 -0.185 0.000 0.949 249 N CB 0.960 39.395 38.487 -0.087 0.000 1.214 249 N HN 0.166 nan 8.380 nan 0.000 0.504 250 T N 0.667 115.104 114.554 -0.195 0.000 2.720 250 T HA -0.153 4.242 4.350 0.074 0.000 0.268 250 T C 1.804 176.413 174.700 -0.152 0.000 1.037 250 T CA 1.756 63.745 62.100 -0.184 0.000 1.144 250 T CB 0.036 68.824 68.868 -0.133 0.000 0.864 250 T HN 0.570 nan 8.240 nan 0.000 0.444 251 A N 1.635 124.394 122.820 -0.102 0.000 1.902 251 A HA -0.103 4.261 4.320 0.074 0.000 0.217 251 A C 2.328 179.885 177.584 -0.045 0.000 1.181 251 A CA 1.230 53.232 52.037 -0.059 0.000 0.623 251 A CB -0.274 18.707 19.000 -0.032 0.000 0.818 251 A HN 0.213 nan 8.150 nan 0.000 0.443 252 K N -0.305 120.067 120.400 -0.047 0.000 2.155 252 K HA 0.024 4.389 4.320 0.074 0.000 0.203 252 K C 1.983 178.567 176.600 -0.027 0.000 1.052 252 K CA 1.020 57.333 56.287 0.042 0.000 0.948 252 K CB -0.585 32.002 32.500 0.145 0.000 0.728 252 K HN 0.349 nan 8.250 nan 0.000 0.448 253 V N 1.569 121.243 119.914 -0.400 0.000 2.295 253 V HA -0.235 3.929 4.120 0.074 0.000 0.246 253 V C 2.490 178.498 176.094 -0.144 0.000 1.049 253 V CA 1.673 63.594 62.300 -0.631 0.000 1.024 253 V CB -0.335 31.053 31.823 -0.725 0.000 0.648 253 V HN 0.321 nan 8.190 nan 0.000 0.447 254 K N -0.272 120.068 120.400 -0.101 0.000 2.057 254 K HA -0.246 4.118 4.320 0.074 0.000 0.207 254 K C 2.268 178.880 176.600 0.020 0.000 1.049 254 K CA 1.864 58.132 56.287 -0.032 0.000 0.931 254 K CB -0.137 32.337 32.500 -0.043 0.000 0.714 254 K HN 0.545 nan 8.250 nan 0.000 0.440 255 E N -0.309 119.919 120.200 0.046 0.000 2.085 255 E HA -0.225 4.169 4.350 0.074 0.000 0.194 255 E C 1.753 178.424 176.600 0.118 0.000 0.994 255 E CA 1.214 57.658 56.400 0.074 0.000 0.801 255 E CB -0.157 29.598 29.700 0.092 0.000 0.743 255 E HN 0.341 nan 8.360 nan 0.000 0.453 256 F N -0.141 119.846 119.950 0.063 0.000 2.333 256 F HA -0.020 4.554 4.527 0.078 0.000 0.300 256 F C 1.236 177.042 175.800 0.010 0.000 1.083 256 F CA 1.562 59.614 58.000 0.087 0.000 1.395 256 F CB 0.328 39.501 39.000 0.288 0.000 1.056 256 F HN 0.185 nan 8.300 nan 0.000 0.529 257 G N 1.168 109.979 108.800 0.018 0.000 2.135 257 G HA2 -0.211 3.793 3.960 0.074 0.000 0.183 257 G HA3 -0.211 3.793 3.960 0.074 0.000 0.183 257 G C -0.054 174.848 174.900 0.003 0.000 1.004 257 G CA -0.079 44.972 45.100 -0.081 0.000 0.677 257 G HN 0.319 nan 8.290 nan 0.000 0.512 258 I N 0.983 121.624 120.570 0.118 0.000 2.353 258 I HA 0.241 4.455 4.170 0.074 0.000 0.293 258 I C 0.600 176.749 176.117 0.052 0.000 0.992 258 I CA -0.649 60.731 61.300 0.133 0.000 1.268 258 I CB 1.114 39.242 38.000 0.213 0.000 1.387 258 I HN 0.153 nan 8.210 nan 0.000 0.478 259 D N 8.055 128.493 120.400 0.064 0.000 2.658 259 D HA -0.059 4.625 4.640 0.074 0.000 0.230 259 D C -1.597 174.693 176.300 -0.017 0.000 1.118 259 D CA -0.429 53.591 54.000 0.033 0.000 0.848 259 D CB 0.967 41.811 40.800 0.073 0.000 1.160 259 D HN 0.262 nan 8.370 nan 0.000 0.497 260 P HA -0.146 nan 4.420 nan 0.000 0.220 260 P C 0.608 177.839 177.300 -0.115 0.000 1.148 260 P CA 1.126 64.177 63.100 -0.081 0.000 0.803 260 P CB 0.174 31.836 31.700 -0.063 0.000 0.782 261 Q N -1.356 118.391 119.800 -0.088 0.000 2.472 261 Q HA 0.004 4.388 4.340 0.074 0.000 0.208 261 Q C 0.687 176.569 176.000 -0.196 0.000 0.958 261 Q CA 0.497 56.227 55.803 -0.122 0.000 0.932 261 Q CB -0.392 28.319 28.738 -0.044 0.000 1.007 261 Q HN 0.253 nan 8.270 nan 0.000 0.508 262 N N -0.039 118.575 118.700 -0.144 0.000 2.235 262 N HA 0.114 4.899 4.740 0.074 0.000 0.209 262 N C -0.561 174.828 175.510 -0.201 0.000 1.122 262 N CA 0.175 53.135 53.050 -0.150 0.000 0.845 262 N CB 0.493 39.012 38.487 0.053 0.000 1.004 262 N HN 0.227 nan 8.380 nan 0.000 0.499 263 M N 0.691 120.105 119.600 -0.310 0.000 2.149 263 M HA 0.353 4.878 4.480 0.074 0.000 0.342 263 M C -1.369 174.691 176.300 -0.398 0.000 1.068 263 M CA -0.603 54.556 55.300 -0.235 0.000 0.991 263 M CB 0.570 33.046 32.600 -0.205 0.000 1.596 263 M HN -0.179 nan 8.290 nan 0.000 0.439 264 F N 3.411 123.280 119.950 -0.135 0.000 2.361 264 F HA 0.368 4.938 4.527 0.072 0.000 0.364 264 F C 0.399 176.142 175.800 -0.095 0.000 1.120 264 F CA -0.542 57.395 58.000 -0.105 0.000 1.102 264 F CB 0.747 39.683 39.000 -0.105 0.000 1.183 264 F HN 0.554 nan 8.300 nan 0.000 0.476 265 E N 4.276 124.433 120.200 -0.071 0.000 2.331 265 E HA 0.449 4.843 4.350 0.074 0.000 0.272 265 E C -0.802 175.457 176.600 -0.567 0.000 1.036 265 E CA -0.326 55.883 56.400 -0.319 0.000 0.864 265 E CB 0.938 30.414 29.700 -0.374 0.000 1.035 265 E HN 0.520 nan 8.360 nan 0.000 0.408 266 F N 1.233 120.584 119.950 -0.998 0.000 2.876 266 F HA 0.743 5.311 4.527 0.068 0.000 0.358 266 F C -0.852 174.029 175.800 -1.530 0.000 1.209 266 F CA -1.075 56.023 58.000 -1.504 0.000 1.051 266 F CB 1.089 39.746 39.000 -0.572 0.000 1.474 266 F HN 0.285 nan 8.300 nan 0.000 0.521 267 W N 0.814 121.845 121.300 -0.448 0.000 2.975 267 W HA 0.187 4.891 4.660 0.074 0.000 0.342 267 W C -0.035 176.076 176.519 -0.680 0.000 1.168 267 W CA -0.350 56.532 57.345 -0.773 0.000 1.141 267 W CB 1.301 29.917 29.460 -1.405 0.000 1.445 267 W HN 0.701 nan 8.180 nan 0.000 0.560 268 D N -0.583 119.633 120.400 -0.307 0.000 2.263 268 D HA -0.203 4.482 4.640 0.074 0.000 0.208 268 D C 1.504 177.820 176.300 0.026 0.000 0.971 268 D CA 1.268 55.198 54.000 -0.115 0.000 0.867 268 D CB -0.579 40.212 40.800 -0.015 0.000 0.929 268 D HN 0.531 nan 8.370 nan 0.000 0.492 269 W N 0.716 122.135 121.300 0.199 0.000 3.180 269 W HA 0.319 5.024 4.660 0.076 0.000 0.254 269 W C -0.545 176.095 176.519 0.200 0.000 1.318 269 W CA -0.607 56.822 57.345 0.140 0.000 1.608 269 W CB -0.496 29.002 29.460 0.063 0.000 1.124 269 W HN -0.254 nan 8.180 nan 0.000 0.694 270 V N 2.695 122.793 119.914 0.306 0.000 2.320 270 V HA 0.419 4.583 4.120 0.074 0.000 0.265 270 V C 1.066 177.391 176.094 0.385 0.000 1.048 270 V CA -0.656 61.900 62.300 0.427 0.000 0.865 270 V CB 0.178 32.276 31.823 0.458 0.000 1.043 270 V HN 0.131 nan 8.190 nan 0.000 0.474 271 G N 3.329 112.377 108.800 0.413 0.000 2.432 271 G HA2 0.364 4.368 3.960 0.074 0.000 0.239 271 G HA3 0.364 4.368 3.960 0.074 0.000 0.239 271 G C 1.121 176.211 174.900 0.317 0.000 1.291 271 G CA 0.205 45.541 45.100 0.394 0.000 0.863 271 G HN 0.862 nan 8.290 nan 0.000 0.560 272 G N 1.828 110.746 108.800 0.197 0.000 2.446 272 G HA2 -0.265 3.739 3.960 0.074 0.000 0.217 272 G HA3 -0.265 3.739 3.960 0.074 0.000 0.217 272 G C 1.677 176.573 174.900 -0.006 0.000 1.168 272 G CA 0.897 46.056 45.100 0.098 0.000 0.771 272 G HN 0.795 nan 8.290 nan 0.000 0.551 273 R N -0.828 119.614 120.500 -0.096 0.000 2.339 273 R HA 0.125 4.510 4.340 0.074 0.000 0.199 273 R C 0.386 176.374 176.300 -0.520 0.000 1.018 273 R CA 0.569 56.448 56.100 -0.368 0.000 1.036 273 R CB -0.335 29.661 30.300 -0.507 0.000 0.899 273 R HN 0.470 nan 8.270 nan 0.000 0.473 274 Y N 0.469 120.788 120.300 0.033 0.000 2.715 274 Y HA 0.194 4.785 4.550 0.069 0.000 0.255 274 Y C 1.260 177.307 175.900 0.245 0.000 1.139 274 Y CA -0.360 57.801 58.100 0.102 0.000 1.151 274 Y CB 1.271 39.656 38.460 -0.126 0.000 1.201 274 Y HN 0.213 nan 8.280 nan 0.000 0.556 275 S N -0.802 114.995 115.700 0.163 0.000 2.524 275 S HA -0.024 4.491 4.470 0.074 0.000 0.215 275 S C 1.623 176.167 174.600 -0.093 0.000 0.986 275 S CA 0.021 58.254 58.200 0.055 0.000 0.911 275 S CB -0.517 62.613 63.200 -0.116 0.000 0.805 275 S HN 0.448 nan 8.310 nan 0.000 0.501 276 L N -1.333 119.736 121.223 -0.256 0.000 2.261 276 L HA 0.262 4.646 4.340 0.074 0.000 0.216 276 L C 1.800 178.534 176.870 -0.227 0.000 1.114 276 L CA 1.005 55.624 54.840 -0.369 0.000 0.777 276 L CB -1.512 40.196 42.059 -0.586 0.000 0.910 276 L HN 0.370 nan 8.230 nan 0.000 0.440 277 W N 0.752 122.132 121.300 0.133 0.000 2.678 277 W HA 0.197 4.900 4.660 0.071 0.000 0.256 277 W C 1.885 178.570 176.519 0.275 0.000 1.280 277 W CA 0.374 57.812 57.345 0.154 0.000 1.345 277 W CB -0.676 28.852 29.460 0.113 0.000 1.118 277 W HN 0.361 nan 8.180 nan 0.000 0.629 278 S N 0.355 116.265 115.700 0.351 0.000 2.566 278 S HA 0.634 5.148 4.470 0.074 0.000 0.277 278 S C 1.667 176.342 174.600 0.126 0.000 1.150 278 S CA -0.098 58.253 58.200 0.251 0.000 1.032 278 S CB 0.474 63.689 63.200 0.026 0.000 1.157 278 S HN 0.038 nan 8.310 nan 0.000 0.507 279 A N 0.340 123.170 122.820 0.016 0.000 1.997 279 A HA -0.063 4.302 4.320 0.074 0.000 0.221 279 A C 2.079 179.541 177.584 -0.203 0.000 1.172 279 A CA 1.515 53.529 52.037 -0.040 0.000 0.645 279 A CB -1.207 17.839 19.000 0.078 0.000 0.813 279 A HN 0.727 nan 8.150 nan 0.000 0.454 280 I N -0.050 120.302 120.570 -0.364 0.000 2.423 280 I HA -0.208 4.006 4.170 0.074 0.000 0.254 280 I C 2.310 178.299 176.117 -0.212 0.000 1.151 280 I CA 1.477 62.587 61.300 -0.317 0.000 1.421 280 I CB -1.662 36.084 38.000 -0.424 0.000 1.079 280 I HN 0.385 nan 8.210 nan 0.000 0.431 281 G N 0.262 108.950 108.800 -0.186 0.000 2.956 281 G HA2 -0.053 3.951 3.960 0.074 0.000 0.207 281 G HA3 -0.053 3.951 3.960 0.074 0.000 0.207 281 G C 1.571 176.175 174.900 -0.492 0.000 1.162 281 G CA -0.160 44.797 45.100 -0.238 0.000 0.796 281 G HN 0.273 nan 8.290 nan 0.000 0.527 282 L N 1.946 122.927 121.223 -0.403 0.000 2.042 282 L HA -0.129 4.255 4.340 0.074 0.000 0.210 282 L C 3.038 179.723 176.870 -0.309 0.000 1.076 282 L CA 2.553 57.136 54.840 -0.428 0.000 0.749 282 L CB -0.559 41.196 42.059 -0.507 0.000 0.893 282 L HN 0.306 nan 8.230 nan 0.000 0.432 283 S N -1.007 114.561 115.700 -0.221 0.000 2.399 283 S HA -0.182 4.333 4.470 0.074 0.000 0.231 283 S C 2.036 176.593 174.600 -0.071 0.000 1.022 283 S CA 1.427 59.536 58.200 -0.151 0.000 0.983 283 S CB -1.002 62.109 63.200 -0.148 0.000 0.803 283 S HN 0.519 nan 8.310 nan 0.000 0.480 284 I N 2.492 123.011 120.570 -0.085 0.000 2.142 284 I HA -0.158 4.056 4.170 0.074 0.000 0.240 284 I C 3.119 179.216 176.117 -0.034 0.000 1.078 284 I CA 1.325 62.617 61.300 -0.014 0.000 1.343 284 I CB -0.747 37.259 38.000 0.011 0.000 1.046 284 I HN 0.419 nan 8.210 nan 0.000 0.405 285 A N 0.691 123.359 122.820 -0.253 0.000 1.933 285 A HA -0.138 4.226 4.320 0.074 0.000 0.218 285 A C 2.304 179.876 177.584 -0.021 0.000 1.175 285 A CA 1.410 53.356 52.037 -0.151 0.000 0.628 285 A CB -0.822 17.991 19.000 -0.312 0.000 0.814 285 A HN 0.390 nan 8.150 nan 0.000 0.444 286 L N -1.881 119.303 121.223 -0.065 0.000 2.093 286 L HA -0.162 4.223 4.340 0.074 0.000 0.208 286 L C 2.644 179.530 176.870 0.026 0.000 1.085 286 L CA 1.598 56.405 54.840 -0.054 0.000 0.755 286 L CB -0.496 41.495 42.059 -0.114 0.000 0.904 286 L HN 0.552 nan 8.230 nan 0.000 0.435 287 H N -0.299 118.738 119.070 -0.056 0.000 2.333 287 H HA -0.093 4.508 4.556 0.075 0.000 0.302 287 H C 1.835 177.178 175.328 0.025 0.000 1.075 287 H CA 1.948 57.981 56.048 -0.025 0.000 1.348 287 H CB 0.186 29.937 29.762 -0.017 0.000 1.393 287 H HN 0.174 nan 8.280 nan 0.000 0.509 288 V N -3.309 116.634 119.914 0.047 0.000 3.643 288 V HA 0.491 4.656 4.120 0.074 0.000 0.280 288 V C 0.870 177.090 176.094 0.209 0.000 1.351 288 V CA 0.505 62.851 62.300 0.076 0.000 1.073 288 V CB -0.166 31.711 31.823 0.090 0.000 0.863 288 V HN 0.677 nan 8.190 nan 0.000 0.436 289 G N -0.135 108.743 108.800 0.130 0.000 2.697 289 G HA2 -0.188 3.816 3.960 0.074 0.000 0.686 289 G HA3 -0.188 3.816 3.960 0.074 0.000 0.686 289 G C -0.449 174.546 174.900 0.159 0.000 1.179 289 G CA -0.074 45.098 45.100 0.120 0.000 0.765 289 G HN 0.367 nan 8.290 nan 0.000 0.649 290 F N 0.909 120.887 119.950 0.047 0.000 2.216 290 F HA -0.003 4.568 4.527 0.073 0.000 0.300 290 F C 2.254 178.132 175.800 0.129 0.000 1.085 290 F CA 2.361 60.431 58.000 0.116 0.000 1.326 290 F CB 0.149 39.205 39.000 0.092 0.000 1.027 290 F HN 0.518 nan 8.300 nan 0.000 0.497 291 D N -0.727 119.718 120.400 0.076 0.000 2.123 291 D HA -0.206 4.478 4.640 0.074 0.000 0.196 291 D C 2.033 178.254 176.300 -0.131 0.000 0.992 291 D CA 1.861 55.824 54.000 -0.062 0.000 0.833 291 D CB -0.656 40.062 40.800 -0.136 0.000 0.954 291 D HN 0.479 nan 8.370 nan 0.000 0.455 292 H N -1.206 117.846 119.070 -0.031 0.000 2.389 292 H HA -0.050 4.550 4.556 0.074 0.000 0.299 292 H C 1.768 177.043 175.328 -0.088 0.000 1.081 292 H CA 0.648 56.642 56.048 -0.091 0.000 1.345 292 H CB -0.043 29.657 29.762 -0.102 0.000 1.393 292 H HN 0.053 nan 8.280 nan 0.000 0.520 293 F N 1.922 121.794 119.950 -0.131 0.000 2.134 293 F HA -0.162 4.409 4.527 0.072 0.000 0.299 293 F C 2.090 177.728 175.800 -0.271 0.000 1.097 293 F CA 1.427 59.290 58.000 -0.228 0.000 1.264 293 F CB -0.097 38.704 39.000 -0.331 0.000 1.001 293 F HN 0.099 nan 8.300 nan 0.000 0.479 294 E N -0.396 119.555 120.200 -0.415 0.000 2.110 294 E HA -0.265 4.129 4.350 0.074 0.000 0.193 294 E C 2.152 178.643 176.600 -0.182 0.000 0.988 294 E CA 1.420 57.610 56.400 -0.351 0.000 0.804 294 E CB -0.182 29.381 29.700 -0.228 0.000 0.745 294 E HN 0.600 nan 8.360 nan 0.000 0.458 295 Q N 0.301 120.038 119.800 -0.105 0.000 2.079 295 Q HA -0.156 4.229 4.340 0.074 0.000 0.200 295 Q C 2.285 178.268 176.000 -0.027 0.000 0.974 295 Q CA 0.817 56.621 55.803 0.002 0.000 0.840 295 Q CB -0.088 28.666 28.738 0.028 0.000 0.898 295 Q HN 0.181 nan 8.270 nan 0.000 0.430 296 L N 0.586 121.741 121.223 -0.113 0.000 2.012 296 L HA -0.215 4.169 4.340 0.074 0.000 0.210 296 L C 1.915 178.756 176.870 -0.048 0.000 1.073 296 L CA 1.666 56.443 54.840 -0.105 0.000 0.748 296 L CB -0.335 41.630 42.059 -0.156 0.000 0.891 296 L HN 0.220 nan 8.230 nan 0.000 0.431 297 L N -1.362 119.756 121.223 -0.174 0.000 2.046 297 L HA -0.210 4.174 4.340 0.074 0.000 0.208 297 L C 2.511 179.331 176.870 -0.084 0.000 1.077 297 L CA 1.431 56.205 54.840 -0.112 0.000 0.747 297 L CB -0.730 41.192 42.059 -0.227 0.000 0.896 297 L HN 0.248 nan 8.230 nan 0.000 0.432 298 S N 0.050 115.717 115.700 -0.054 0.000 2.382 298 S HA -0.127 4.387 4.470 0.074 0.000 0.228 298 S C 2.014 176.536 174.600 -0.131 0.000 1.027 298 S CA 1.224 59.463 58.200 0.065 0.000 0.991 298 S CB -0.544 62.787 63.200 0.218 0.000 0.823 298 S HN 0.619 nan 8.310 nan 0.000 0.469 299 G N 1.284 109.698 108.800 -0.643 0.000 2.418 299 G HA2 -0.048 3.956 3.960 0.074 0.000 0.217 299 G HA3 -0.048 3.956 3.960 0.074 0.000 0.217 299 G C 1.560 176.200 174.900 -0.433 0.000 1.158 299 G CA 0.860 45.177 45.100 -1.305 0.000 0.771 299 G HN 0.571 nan 8.290 nan 0.000 0.545 300 A N 0.347 123.022 122.820 -0.241 0.000 1.902 300 A HA -0.102 4.262 4.320 0.074 0.000 0.217 300 A C 2.111 179.641 177.584 -0.091 0.000 1.181 300 A CA 2.098 53.992 52.037 -0.238 0.000 0.623 300 A CB -0.758 17.820 19.000 -0.703 0.000 0.818 300 A HN 0.509 nan 8.150 nan 0.000 0.443 301 H N -2.263 116.733 119.070 -0.123 0.000 2.353 301 H HA -0.194 4.406 4.556 0.073 0.000 0.300 301 H C 1.730 177.110 175.328 0.087 0.000 1.090 301 H CA 2.052 58.091 56.048 -0.015 0.000 1.327 301 H CB -0.434 29.332 29.762 0.006 0.000 1.383 301 H HN 0.683 nan 8.280 nan 0.000 0.508 302 W N 0.201 121.459 121.300 -0.070 0.000 2.335 302 W HA -0.277 4.427 4.660 0.073 0.000 0.311 302 W C 2.372 178.887 176.519 -0.006 0.000 1.213 302 W CA 2.035 59.369 57.345 -0.020 0.000 1.274 302 W CB -0.339 29.189 29.460 0.113 0.000 1.148 302 W HN 0.294 nan 8.180 nan 0.000 0.498 303 M N 0.943 120.746 119.600 0.339 0.000 2.229 303 M HA -0.166 4.359 4.480 0.074 0.000 0.264 303 M C 1.368 177.805 176.300 0.228 0.000 1.063 303 M CA 2.018 57.499 55.300 0.303 0.000 1.114 303 M CB -0.821 31.948 32.600 0.282 0.000 1.387 303 M HN -0.120 nan 8.290 nan 0.000 0.420 304 D N -0.311 120.199 120.400 0.183 0.000 2.097 304 D HA -0.180 4.505 4.640 0.074 0.000 0.195 304 D C 2.006 178.339 176.300 0.055 0.000 0.989 304 D CA 1.186 55.372 54.000 0.309 0.000 0.827 304 D CB -0.326 40.628 40.800 0.256 0.000 0.966 304 D HN 0.415 nan 8.370 nan 0.000 0.456 305 Q N -0.211 119.454 119.800 -0.224 0.000 2.119 305 Q HA -0.151 4.234 4.340 0.074 0.000 0.201 305 Q C 2.078 177.841 176.000 -0.394 0.000 0.972 305 Q CA 1.010 56.586 55.803 -0.378 0.000 0.847 305 Q CB -0.566 27.871 28.738 -0.502 0.000 0.903 305 Q HN 0.561 nan 8.270 nan 0.000 0.433 306 H N 0.042 118.798 119.070 -0.524 0.000 2.319 306 H HA -0.160 4.440 4.556 0.073 0.000 0.299 306 H C 1.707 176.930 175.328 -0.175 0.000 1.092 306 H CA 1.785 57.567 56.048 -0.443 0.000 1.302 306 H CB -0.327 29.146 29.762 -0.482 0.000 1.373 306 H HN 0.172 nan 8.280 nan 0.000 0.497 307 F N 0.289 120.098 119.950 -0.235 0.000 2.134 307 F HA -0.122 4.450 4.527 0.073 0.000 0.299 307 F C 2.122 177.656 175.800 -0.443 0.000 1.097 307 F CA 1.221 59.050 58.000 -0.285 0.000 1.264 307 F CB -0.798 38.048 39.000 -0.257 0.000 1.001 307 F HN 0.333 nan 8.300 nan 0.000 0.479 308 L N 0.390 121.216 121.223 -0.661 0.000 2.109 308 L HA -0.080 4.304 4.340 0.074 0.000 0.207 308 L C 1.891 178.388 176.870 -0.622 0.000 1.086 308 L CA 1.751 56.042 54.840 -0.914 0.000 0.760 308 L CB -0.605 40.848 42.059 -1.010 0.000 0.910 308 L HN -0.095 nan 8.230 nan 0.000 0.437 309 K N -1.401 118.708 120.400 -0.485 0.000 2.360 309 K HA 0.276 4.641 4.320 0.074 0.000 0.196 309 K C 0.271 176.671 176.600 -0.334 0.000 1.049 309 K CA 0.143 56.206 56.287 -0.374 0.000 1.049 309 K CB 0.126 32.436 32.500 -0.317 0.000 0.881 309 K HN 0.202 nan 8.250 nan 0.000 0.542 310 T N 4.177 118.493 114.554 -0.397 0.000 2.806 310 T HA 0.279 4.673 4.350 0.074 0.000 0.290 310 T C -2.612 171.932 174.700 -0.261 0.000 0.966 310 T CA -1.489 60.399 62.100 -0.352 0.000 1.060 310 T CB 1.524 70.048 68.868 -0.572 0.000 0.927 310 T HN -0.110 nan 8.240 nan 0.000 0.485 311 P HA 0.087 nan 4.420 nan 0.000 0.264 311 P C 1.083 178.308 177.300 -0.125 0.000 1.183 311 P CA -0.047 62.967 63.100 -0.144 0.000 0.763 311 P CB 0.425 32.059 31.700 -0.110 0.000 0.807 312 L N 2.473 123.630 121.223 -0.110 0.000 2.089 312 L HA -0.235 4.149 4.340 0.074 0.000 0.213 312 L C 2.262 179.089 176.870 -0.071 0.000 1.079 312 L CA 1.735 56.526 54.840 -0.081 0.000 0.758 312 L CB -0.839 41.176 42.059 -0.072 0.000 0.891 312 L HN 0.551 nan 8.230 nan 0.000 0.433 313 E N 0.509 120.663 120.200 -0.076 0.000 2.338 313 E HA -0.194 4.201 4.350 0.074 0.000 0.197 313 E C 0.857 177.429 176.600 -0.046 0.000 1.007 313 E CA 1.008 57.365 56.400 -0.072 0.000 0.849 313 E CB -0.045 29.609 29.700 -0.077 0.000 0.774 313 E HN 0.463 nan 8.360 nan 0.000 0.506 314 K N 0.783 121.162 120.400 -0.035 0.000 2.592 314 K HA 0.173 4.537 4.320 0.074 0.000 0.203 314 K C -0.049 176.585 176.600 0.057 0.000 1.070 314 K CA -0.306 55.992 56.287 0.018 0.000 1.062 314 K CB 0.391 32.897 32.500 0.011 0.000 0.814 314 K HN -0.039 nan 8.250 nan 0.000 0.502 315 N N 1.379 120.090 118.700 0.018 0.000 2.457 315 N HA 0.198 4.983 4.740 0.074 0.000 0.250 315 N C 0.629 176.247 175.510 0.180 0.000 0.982 315 N CA 0.119 53.196 53.050 0.045 0.000 0.941 315 N CB 1.651 40.120 38.487 -0.030 0.000 1.120 315 N HN 0.072 nan 8.380 nan 0.000 0.505 316 A N 6.786 129.861 122.820 0.426 0.000 1.865 316 A HA -0.048 4.316 4.320 0.074 0.000 0.217 316 A C -0.582 177.035 177.584 0.055 0.000 1.191 316 A CA 1.286 53.436 52.037 0.189 0.000 0.623 316 A CB -1.237 17.841 19.000 0.130 0.000 0.826 316 A HN 0.620 nan 8.150 nan 0.000 0.444 317 P HA -0.093 nan 4.420 nan 0.000 0.217 317 P C 1.647 178.918 177.300 -0.050 0.000 1.150 317 P CA 1.474 64.533 63.100 -0.068 0.000 0.832 317 P CB -0.291 31.301 31.700 -0.180 0.000 0.787 318 V N 0.454 120.389 119.914 0.036 0.000 2.295 318 V HA -0.222 3.943 4.120 0.074 0.000 0.246 318 V C 2.811 178.874 176.094 -0.052 0.000 1.049 318 V CA 1.604 63.925 62.300 0.036 0.000 1.024 318 V CB -1.289 30.585 31.823 0.086 0.000 0.648 318 V HN 0.011 nan 8.190 nan 0.000 0.447 319 L N -0.742 120.424 121.223 -0.095 0.000 2.046 319 L HA -0.192 4.192 4.340 0.074 0.000 0.208 319 L C 2.452 179.217 176.870 -0.175 0.000 1.077 319 L CA 1.534 56.246 54.840 -0.212 0.000 0.747 319 L CB -0.602 41.217 42.059 -0.400 0.000 0.896 319 L HN 0.309 nan 8.230 nan 0.000 0.432 320 L N -0.320 120.833 121.223 -0.117 0.000 2.046 320 L HA -0.212 4.173 4.340 0.074 0.000 0.208 320 L C 2.907 179.759 176.870 -0.030 0.000 1.077 320 L CA 1.207 56.016 54.840 -0.051 0.000 0.747 320 L CB -0.766 41.236 42.059 -0.094 0.000 0.896 320 L HN 0.254 nan 8.230 nan 0.000 0.432 321 A N 0.130 122.910 122.820 -0.067 0.000 1.902 321 A HA -0.159 4.206 4.320 0.074 0.000 0.217 321 A C 2.252 179.791 177.584 -0.076 0.000 1.181 321 A CA 1.407 53.393 52.037 -0.085 0.000 0.623 321 A CB -0.664 18.273 19.000 -0.105 0.000 0.818 321 A HN 0.355 nan 8.150 nan 0.000 0.443 322 L N -0.784 120.397 121.223 -0.071 0.000 2.093 322 L HA -0.147 4.237 4.340 0.074 0.000 0.208 322 L C 2.529 179.405 176.870 0.009 0.000 1.085 322 L CA 0.856 55.663 54.840 -0.054 0.000 0.755 322 L CB -0.477 41.528 42.059 -0.091 0.000 0.904 322 L HN 0.368 nan 8.230 nan 0.000 0.435 323 L N -0.581 120.652 121.223 0.017 0.000 2.046 323 L HA -0.133 4.251 4.340 0.074 0.000 0.208 323 L C 2.675 179.666 176.870 0.202 0.000 1.077 323 L CA 1.365 56.259 54.840 0.089 0.000 0.747 323 L CB -1.089 41.076 42.059 0.176 0.000 0.896 323 L HN 0.299 nan 8.230 nan 0.000 0.432 324 G N 0.352 109.291 108.800 0.231 0.000 2.446 324 G HA2 -0.235 3.769 3.960 0.074 0.000 0.217 324 G HA3 -0.235 3.769 3.960 0.074 0.000 0.217 324 G C 1.521 176.599 174.900 0.297 0.000 1.168 324 G CA 0.581 45.859 45.100 0.296 0.000 0.771 324 G HN 0.160 nan 8.290 nan 0.000 0.551 325 I N -0.112 120.569 120.570 0.184 0.000 2.163 325 I HA -0.170 4.045 4.170 0.074 0.000 0.243 325 I C 2.438 178.754 176.117 0.332 0.000 1.085 325 I CA 0.960 62.396 61.300 0.227 0.000 1.347 325 I CB -1.141 36.897 38.000 0.063 0.000 1.044 325 I HN 0.484 nan 8.210 nan 0.000 0.408 326 W N 1.432 122.757 121.300 0.041 0.000 2.317 326 W HA -0.327 4.377 4.660 0.073 0.000 0.318 326 W C 2.541 179.130 176.519 0.116 0.000 1.227 326 W CA 1.604 58.944 57.345 -0.008 0.000 1.269 326 W CB -0.471 28.864 29.460 -0.207 0.000 1.155 326 W HN 0.103 nan 8.180 nan 0.000 0.484 327 Y N 0.163 120.654 120.300 0.319 0.000 2.314 327 Y HA -0.102 4.492 4.550 0.073 0.000 0.293 327 Y C 2.408 178.428 175.900 0.200 0.000 1.129 327 Y CA 1.328 59.547 58.100 0.199 0.000 1.201 327 Y CB -1.019 37.552 38.460 0.184 0.000 0.999 327 Y HN -0.081 nan 8.280 nan 0.000 0.541 328 I N -0.284 120.514 120.570 0.380 0.000 2.296 328 I HA -0.225 3.989 4.170 0.074 0.000 0.242 328 I C 1.349 177.617 176.117 0.252 0.000 1.087 328 I CA 1.432 62.927 61.300 0.324 0.000 1.393 328 I CB -0.251 38.001 38.000 0.420 0.000 1.093 328 I HN 0.118 nan 8.210 nan 0.000 0.421 329 N N -0.855 118.021 118.700 0.293 0.000 2.424 329 N HA -0.014 4.770 4.740 0.074 0.000 0.178 329 N C 1.450 177.057 175.510 0.162 0.000 1.060 329 N CA 0.546 53.773 53.050 0.295 0.000 0.901 329 N CB 0.211 38.956 38.487 0.430 0.000 0.979 329 N HN 0.321 nan 8.380 nan 0.000 0.451 330 C N -1.251 118.003 119.300 -0.076 0.000 2.406 330 C HA 0.197 4.702 4.460 0.074 0.000 0.343 330 C C 1.895 176.368 174.990 -0.862 0.000 1.397 330 C CA -0.208 58.439 59.018 -0.617 0.000 2.069 330 C CB -0.912 26.231 27.740 -0.996 0.000 2.374 330 C HN 0.407 nan 8.230 nan 0.000 0.545 331 Y N 1.355 121.360 120.300 -0.492 0.000 2.475 331 Y HA 0.227 4.821 4.550 0.073 0.000 0.289 331 Y C 2.159 178.044 175.900 -0.024 0.000 1.121 331 Y CA 1.321 59.322 58.100 -0.165 0.000 1.257 331 Y CB -0.317 38.154 38.460 0.018 0.000 1.026 331 Y HN 0.460 nan 8.280 nan 0.000 0.555 332 G N -0.337 108.545 108.800 0.136 0.000 2.160 332 G HA2 -0.295 3.710 3.960 0.074 0.000 0.244 332 G HA3 -0.295 3.710 3.960 0.074 0.000 0.244 332 G C -0.211 174.773 174.900 0.140 0.000 1.022 332 G CA -0.075 45.096 45.100 0.120 0.000 0.741 332 G HN 0.293 nan 8.290 nan 0.000 0.508 333 C N 0.713 120.125 119.300 0.186 0.000 2.627 333 C HA 0.317 4.821 4.460 0.074 0.000 0.404 333 C C 1.854 176.936 174.990 0.154 0.000 1.340 333 C CA -0.134 58.979 59.018 0.158 0.000 1.758 333 C CB 0.360 28.196 27.740 0.161 0.000 2.501 333 C HN 0.620 nan 8.230 nan 0.000 0.588 334 E N 0.728 120.997 120.200 0.115 0.000 2.208 334 E HA -0.086 4.308 4.350 0.074 0.000 0.193 334 E C 1.176 177.861 176.600 0.143 0.000 0.988 334 E CA 1.062 57.521 56.400 0.099 0.000 0.828 334 E CB 0.260 29.991 29.700 0.052 0.000 0.763 334 E HN 0.902 nan 8.360 nan 0.000 0.478 335 T N -2.317 112.351 114.554 0.191 0.000 2.926 335 T HA 0.442 4.837 4.350 0.074 0.000 0.289 335 T C -1.059 173.842 174.700 0.335 0.000 1.054 335 T CA -0.904 61.372 62.100 0.294 0.000 1.015 335 T CB 2.181 71.281 68.868 0.387 0.000 1.167 335 T HN 0.063 nan 8.240 nan 0.000 0.526 336 H N -0.192 119.013 119.070 0.225 0.000 2.934 336 H HA 0.651 5.251 4.556 0.074 0.000 0.340 336 H C -0.868 174.376 175.328 -0.140 0.000 1.008 336 H CA -0.242 55.855 56.048 0.082 0.000 1.317 336 H CB 1.260 31.095 29.762 0.121 0.000 1.670 336 H HN 1.070 nan 8.280 nan 0.000 0.516 337 A N 5.679 128.096 122.820 -0.672 0.000 2.301 337 A HA 0.554 4.918 4.320 0.074 0.000 0.312 337 A C -0.965 176.256 177.584 -0.604 0.000 1.182 337 A CA -0.710 50.752 52.037 -0.957 0.000 0.826 337 A CB 0.454 18.724 19.000 -1.216 0.000 1.134 337 A HN 0.696 nan 8.150 nan 0.000 0.501 338 L N 3.275 124.261 121.223 -0.394 0.000 2.298 338 L HA 0.420 4.804 4.340 0.074 0.000 0.284 338 L C -0.917 175.896 176.870 -0.096 0.000 1.013 338 L CA -0.113 54.658 54.840 -0.115 0.000 0.824 338 L CB 1.111 43.201 42.059 0.051 0.000 1.221 338 L HN 0.607 nan 8.230 nan 0.000 0.418 339 L N 5.932 127.098 121.223 -0.095 0.000 2.457 339 L HA 0.381 4.765 4.340 0.074 0.000 0.252 339 L C -2.341 174.631 176.870 0.170 0.000 1.132 339 L CA -1.604 53.194 54.840 -0.071 0.000 0.938 339 L CB 1.160 42.970 42.059 -0.415 0.000 1.246 339 L HN 0.329 nan 8.230 nan 0.000 0.476 340 P HA 0.058 nan 4.420 nan 0.000 0.282 340 P C -0.849 176.632 177.300 0.302 0.000 1.262 340 P CA -0.188 63.079 63.100 0.277 0.000 0.773 340 P CB 0.616 32.408 31.700 0.153 0.000 0.879 341 Y N 2.266 122.688 120.300 0.205 0.000 2.735 341 Y HA 0.297 4.891 4.550 0.074 0.000 0.354 341 Y C 0.314 176.286 175.900 0.121 0.000 1.288 341 Y CA 0.252 58.461 58.100 0.182 0.000 1.836 341 Y CB -0.373 38.248 38.460 0.268 0.000 1.920 341 Y HN 0.392 nan 8.280 nan 0.000 0.438 342 D N -0.609 119.887 120.400 0.161 0.000 2.688 342 D HA 0.087 4.771 4.640 0.074 0.000 0.210 342 D C 0.536 176.902 176.300 0.111 0.000 1.333 342 D CA -0.275 53.815 54.000 0.151 0.000 0.920 342 D CB 1.102 42.027 40.800 0.208 0.000 1.554 342 D HN 0.027 nan 8.370 nan 0.000 0.579 343 Q N 2.165 121.977 119.800 0.020 0.000 2.119 343 Q HA -0.092 4.292 4.340 0.074 0.000 0.201 343 Q C 0.903 176.955 176.000 0.087 0.000 0.972 343 Q CA 1.698 57.481 55.803 -0.033 0.000 0.847 343 Q CB -0.138 28.482 28.738 -0.196 0.000 0.903 343 Q HN 0.773 nan 8.270 nan 0.000 0.433 344 Y N -0.904 119.487 120.300 0.152 0.000 2.274 344 Y HA -0.130 4.464 4.550 0.073 0.000 0.290 344 Y C 1.518 177.548 175.900 0.217 0.000 1.145 344 Y CA 0.589 58.803 58.100 0.190 0.000 1.203 344 Y CB 0.019 38.563 38.460 0.140 0.000 0.984 344 Y HN 0.115 nan 8.280 nan 0.000 0.533 345 M N 0.507 120.300 119.600 0.323 0.000 2.654 345 M HA -0.030 4.494 4.480 0.074 0.000 0.217 345 M C 1.209 177.644 176.300 0.225 0.000 1.183 345 M CA 0.398 55.836 55.300 0.229 0.000 0.991 345 M CB -0.511 32.175 32.600 0.143 0.000 1.749 345 M HN 0.472 nan 8.290 nan 0.000 0.475 346 H N -1.374 117.779 119.070 0.139 0.000 2.521 346 H HA 0.033 4.634 4.556 0.075 0.000 0.286 346 H C 1.508 176.902 175.328 0.110 0.000 1.034 346 H CA 0.813 56.925 56.048 0.106 0.000 1.278 346 H CB 0.099 29.899 29.762 0.063 0.000 1.386 346 H HN 0.117 nan 8.280 nan 0.000 0.567 347 R N -0.438 119.861 120.500 -0.335 0.000 2.432 347 R HA 0.100 4.484 4.340 0.074 0.000 0.260 347 R C 0.891 177.177 176.300 -0.024 0.000 0.935 347 R CA -0.198 55.763 56.100 -0.231 0.000 1.080 347 R CB -0.818 29.249 30.300 -0.388 0.000 1.155 347 R HN 0.361 nan 8.270 nan 0.000 0.531 348 F N 1.871 121.789 119.950 -0.054 0.000 2.102 348 F HA -0.183 4.391 4.527 0.078 0.000 0.298 348 F C 2.138 177.998 175.800 0.101 0.000 1.105 348 F CA 1.777 59.797 58.000 0.033 0.000 1.239 348 F CB -0.081 38.968 39.000 0.082 0.000 0.991 348 F HN 0.096 nan 8.300 nan 0.000 0.474 349 A N 0.301 123.244 122.820 0.205 0.000 1.908 349 A HA -0.120 4.244 4.320 0.074 0.000 0.218 349 A C 2.393 179.979 177.584 0.004 0.000 1.181 349 A CA 1.936 54.026 52.037 0.089 0.000 0.627 349 A CB -1.606 17.454 19.000 0.100 0.000 0.818 349 A HN 0.506 nan 8.150 nan 0.000 0.445 350 A N -1.576 121.242 122.820 -0.004 0.000 1.933 350 A HA -0.125 4.239 4.320 0.074 0.000 0.218 350 A C 2.135 179.639 177.584 -0.132 0.000 1.175 350 A CA 1.706 53.713 52.037 -0.049 0.000 0.628 350 A CB -0.825 18.146 19.000 -0.048 0.000 0.814 350 A HN 0.755 nan 8.150 nan 0.000 0.444 351 Y N -0.811 119.301 120.300 -0.313 0.000 2.128 351 Y HA -0.213 4.384 4.550 0.079 0.000 0.284 351 Y C 1.861 177.403 175.900 -0.597 0.000 1.154 351 Y CA 2.098 59.896 58.100 -0.503 0.000 1.149 351 Y CB -0.411 37.649 38.460 -0.667 0.000 0.976 351 Y HN 0.281 nan 8.280 nan 0.000 0.505 352 F N 0.143 119.870 119.950 -0.371 0.000 2.615 352 F HA -0.074 4.498 4.527 0.075 0.000 0.297 352 F C 2.564 178.197 175.800 -0.279 0.000 1.124 352 F CA 0.991 58.749 58.000 -0.403 0.000 1.451 352 F CB -0.290 38.434 39.000 -0.460 0.000 1.103 352 F HN 0.152 nan 8.300 nan 0.000 0.569 353 Q N 0.780 120.533 119.800 -0.079 0.000 2.061 353 Q HA -0.311 4.073 4.340 0.074 0.000 0.204 353 Q C 2.264 178.190 176.000 -0.124 0.000 0.984 353 Q CA 2.105 57.878 55.803 -0.049 0.000 0.846 353 Q CB -0.173 28.550 28.738 -0.025 0.000 0.902 353 Q HN 0.546 nan 8.270 nan 0.000 0.421 354 Q N -0.801 118.848 119.800 -0.252 0.000 2.016 354 Q HA -0.117 4.267 4.340 0.074 0.000 0.200 354 Q C 2.012 177.803 176.000 -0.347 0.000 0.978 354 Q CA 1.663 57.283 55.803 -0.306 0.000 0.833 354 Q CB -0.504 27.994 28.738 -0.399 0.000 0.895 354 Q HN 0.477 nan 8.270 nan 0.000 0.427 355 G N 0.778 109.261 108.800 -0.527 0.000 2.440 355 G HA2 -0.315 3.689 3.960 0.074 0.000 0.218 355 G HA3 -0.315 3.689 3.960 0.074 0.000 0.218 355 G C 1.251 176.067 174.900 -0.139 0.000 1.154 355 G CA 1.113 45.929 45.100 -0.474 0.000 0.767 355 G HN 0.456 nan 8.290 nan 0.000 0.552 356 D N 0.140 120.534 120.400 -0.009 0.000 2.106 356 D HA 0.020 4.704 4.640 0.074 0.000 0.203 356 D C 2.736 179.052 176.300 0.026 0.000 0.977 356 D CA 0.645 54.683 54.000 0.063 0.000 0.844 356 D CB -0.169 40.687 40.800 0.093 0.000 1.002 356 D HN 0.279 nan 8.370 nan 0.000 0.461 357 M N 0.366 119.962 119.600 -0.006 0.000 2.175 357 M HA -0.078 4.447 4.480 0.074 0.000 0.264 357 M C 2.190 178.466 176.300 -0.040 0.000 1.063 357 M CA 1.057 56.352 55.300 -0.009 0.000 1.119 357 M CB -0.130 32.463 32.600 -0.013 0.000 1.377 357 M HN 0.029 nan 8.290 nan 0.000 0.415 358 E N -0.204 119.949 120.200 -0.078 0.000 2.208 358 E HA -0.112 4.282 4.350 0.074 0.000 0.193 358 E C 1.830 178.386 176.600 -0.074 0.000 0.988 358 E CA 0.964 57.310 56.400 -0.090 0.000 0.828 358 E CB 0.264 29.888 29.700 -0.127 0.000 0.763 358 E HN 0.385 nan 8.360 nan 0.000 0.478 359 S N 0.843 116.508 115.700 -0.058 0.000 2.357 359 S HA -0.029 4.485 4.470 0.074 0.000 0.221 359 S C 1.344 175.926 174.600 -0.031 0.000 1.031 359 S CA 0.893 59.064 58.200 -0.050 0.000 0.982 359 S CB 0.015 63.212 63.200 -0.005 0.000 0.853 359 S HN 0.253 nan 8.310 nan 0.000 0.458 360 N N 0.515 119.233 118.700 0.030 0.000 2.187 360 N HA 0.179 4.963 4.740 0.074 0.000 0.212 360 N C 0.425 175.944 175.510 0.014 0.000 1.152 360 N CA 0.030 53.138 53.050 0.097 0.000 0.872 360 N CB 0.508 39.175 38.487 0.299 0.000 1.025 360 N HN 0.290 nan 8.380 nan 0.000 0.514 361 G N 1.199 109.986 108.800 -0.021 0.000 3.008 361 G HA2 0.138 4.143 3.960 0.074 0.000 0.272 361 G HA3 0.138 4.143 3.960 0.074 0.000 0.272 361 G C 0.138 174.992 174.900 -0.076 0.000 0.764 361 G CA 0.022 45.090 45.100 -0.053 0.000 2.029 361 G HN -0.126 nan 8.290 nan 0.000 0.587 362 K N 0.581 120.934 120.400 -0.079 0.000 2.482 362 K HA 0.305 4.669 4.320 0.074 0.000 0.257 362 K C -0.455 176.122 176.600 -0.038 0.000 0.969 362 K CA -0.951 55.282 56.287 -0.088 0.000 0.842 362 K CB 2.011 34.498 32.500 -0.021 0.000 1.359 362 K HN 0.486 nan 8.250 nan 0.000 0.441 363 Y N -1.256 119.022 120.300 -0.036 0.000 2.610 363 Y HA 0.416 5.018 4.550 0.087 0.000 0.254 363 Y C -0.061 175.816 175.900 -0.038 0.000 1.110 363 Y CA -0.691 57.363 58.100 -0.078 0.000 1.238 363 Y CB 0.831 39.234 38.460 -0.096 0.000 1.322 363 Y HN 0.128 nan 8.280 nan 0.000 0.547 364 I N 3.211 123.903 120.570 0.204 0.000 2.377 364 I HA 0.273 4.487 4.170 0.074 0.000 0.293 364 I C 0.560 176.786 176.117 0.182 0.000 0.987 364 I CA -0.608 60.809 61.300 0.195 0.000 1.185 364 I CB 1.653 39.758 38.000 0.176 0.000 1.341 364 I HN 0.283 nan 8.210 nan 0.000 0.455 365 T N 1.744 116.398 114.554 0.165 0.000 2.862 365 T HA 0.279 4.673 4.350 0.074 0.000 0.276 365 T C 1.094 175.903 174.700 0.181 0.000 0.974 365 T CA -0.626 61.583 62.100 0.183 0.000 0.966 365 T CB 1.622 70.575 68.868 0.141 0.000 1.072 365 T HN 0.652 nan 8.240 nan 0.000 0.538 366 K N 0.164 120.639 120.400 0.124 0.000 2.160 366 K HA -0.140 4.224 4.320 0.074 0.000 0.206 366 K C 2.206 178.731 176.600 -0.124 0.000 1.047 366 K CA 1.678 57.861 56.287 -0.173 0.000 0.930 366 K CB -0.459 31.837 32.500 -0.339 0.000 0.720 366 K HN 0.722 nan 8.250 nan 0.000 0.450 367 S N -1.432 114.254 115.700 -0.024 0.000 2.562 367 S HA 0.102 4.616 4.470 0.074 0.000 0.221 367 S C 1.288 175.900 174.600 0.020 0.000 0.975 367 S CA 0.529 58.723 58.200 -0.009 0.000 0.918 367 S CB 0.304 63.509 63.200 0.008 0.000 0.772 367 S HN 0.524 nan 8.310 nan 0.000 0.531 368 G N 0.553 109.384 108.800 0.051 0.000 2.176 368 G HA2 -0.100 3.905 3.960 0.074 0.000 0.253 368 G HA3 -0.100 3.905 3.960 0.074 0.000 0.253 368 G C 0.230 175.169 174.900 0.065 0.000 0.979 368 G CA -0.078 45.062 45.100 0.067 0.000 0.641 368 G HN 1.286 nan 8.290 nan 0.000 0.530 369 A N 0.282 123.139 122.820 0.062 0.000 2.388 369 A HA 0.694 5.058 4.320 0.074 0.000 0.257 369 A C 0.827 178.446 177.584 0.059 0.000 1.095 369 A CA -0.047 52.021 52.037 0.051 0.000 0.791 369 A CB 0.402 19.430 19.000 0.046 0.000 1.029 369 A HN 0.516 nan 8.150 nan 0.000 0.489 370 R N 1.659 122.176 120.500 0.030 0.000 2.389 370 R HA 0.297 4.681 4.340 0.074 0.000 0.295 370 R C 0.085 176.354 176.300 -0.052 0.000 1.075 370 R CA -0.109 55.991 56.100 0.001 0.000 1.005 370 R CB 0.343 30.597 30.300 -0.076 0.000 0.987 370 R HN 0.746 nan 8.270 nan 0.000 0.452 371 V N 1.796 121.647 119.914 -0.104 0.000 2.763 371 V HA 0.011 4.176 4.120 0.074 0.000 0.306 371 V C 0.397 176.324 176.094 -0.278 0.000 1.059 371 V CA -0.158 61.960 62.300 -0.302 0.000 1.138 371 V CB 0.944 32.388 31.823 -0.631 0.000 0.940 371 V HN 0.867 nan 8.190 nan 0.000 0.489 372 D N 2.004 122.285 120.400 -0.197 0.000 2.643 372 D HA 0.242 4.926 4.640 0.074 0.000 0.244 372 D C 0.012 176.314 176.300 0.003 0.000 1.257 372 D CA 0.022 53.977 54.000 -0.075 0.000 0.831 372 D CB -0.549 40.261 40.800 0.016 0.000 1.043 372 D HN 1.048 nan 8.370 nan 0.000 0.488 373 H N -3.730 115.305 119.070 -0.058 0.000 2.990 373 H HA 0.495 5.095 4.556 0.075 0.000 0.336 373 H C -0.667 174.571 175.328 -0.151 0.000 1.306 373 H CA -1.069 54.938 56.048 -0.068 0.000 1.118 373 H CB 0.429 30.145 29.762 -0.077 0.000 1.856 373 H HN -0.305 nan 8.280 nan 0.000 0.538 374 Q N 0.878 120.677 119.800 -0.002 0.000 2.392 374 Q HA 0.270 4.655 4.340 0.074 0.000 0.262 374 Q C 0.306 176.011 176.000 -0.491 0.000 1.003 374 Q CA 0.684 56.388 55.803 -0.165 0.000 0.888 374 Q CB 1.515 30.222 28.738 -0.050 0.000 1.260 374 Q HN 0.976 nan 8.270 nan 0.000 0.435 375 T N -2.255 111.878 114.554 -0.702 0.000 2.747 375 T HA 0.547 4.941 4.350 0.074 0.000 0.236 375 T C 0.596 174.672 174.700 -1.039 0.000 1.046 375 T CA -0.253 60.993 62.100 -1.423 0.000 1.054 375 T CB -0.374 67.993 68.868 -0.835 0.000 2.287 375 T HN 0.580 nan 8.240 nan 0.000 0.523 376 G N 3.138 111.579 108.800 -0.599 0.000 2.391 376 G HA2 0.446 4.450 3.960 0.074 0.000 0.234 376 G HA3 0.446 4.450 3.960 0.074 0.000 0.234 376 G C -2.215 172.683 174.900 -0.002 0.000 1.284 376 G CA -0.653 44.403 45.100 -0.074 0.000 0.873 376 G HN 0.685 nan 8.290 nan 0.000 0.549 377 P HA 0.344 nan 4.420 nan 0.000 0.278 377 P C -0.194 177.185 177.300 0.132 0.000 1.266 377 P CA -0.734 62.452 63.100 0.144 0.000 0.807 377 P CB 1.360 33.200 31.700 0.232 0.000 1.094 378 I N 0.545 121.200 120.570 0.142 0.000 2.396 378 I HA 0.111 4.325 4.170 0.074 0.000 0.289 378 I C 0.220 176.502 176.117 0.275 0.000 1.056 378 I CA -0.337 61.051 61.300 0.146 0.000 1.365 378 I CB 0.712 38.762 38.000 0.083 0.000 1.407 378 I HN -0.029 nan 8.210 nan 0.000 0.509 379 V N 7.546 127.602 119.914 0.236 0.000 2.472 379 V HA 0.522 4.686 4.120 0.074 0.000 0.290 379 V C -0.410 175.860 176.094 0.293 0.000 1.037 379 V CA -0.343 62.109 62.300 0.254 0.000 0.908 379 V CB 1.309 33.226 31.823 0.156 0.000 0.985 379 V HN 0.822 nan 8.190 nan 0.000 0.454 380 W N 2.837 124.135 121.300 -0.003 0.000 2.959 380 W HA 0.845 5.548 4.660 0.071 0.000 0.358 380 W C -0.324 176.159 176.519 -0.061 0.000 1.228 380 W CA -0.630 56.681 57.345 -0.058 0.000 1.183 380 W CB 1.281 30.669 29.460 -0.120 0.000 1.467 380 W HN 1.044 nan 8.180 nan 0.000 0.578 381 G N 0.784 109.574 108.800 -0.016 0.000 2.350 381 G HA2 0.368 4.372 3.960 0.074 0.000 0.304 381 G HA3 0.368 4.372 3.960 0.074 0.000 0.304 381 G C -2.050 172.923 174.900 0.123 0.000 1.421 381 G CA -0.870 44.123 45.100 -0.178 0.000 0.934 381 G HN 0.523 nan 8.290 nan 0.000 0.632 382 E N -0.052 120.312 120.200 0.274 0.000 2.383 382 E HA 0.548 4.943 4.350 0.074 0.000 0.275 382 E C -2.629 174.082 176.600 0.185 0.000 0.918 382 E CA -1.445 55.127 56.400 0.286 0.000 0.764 382 E CB 2.925 32.881 29.700 0.427 0.000 1.252 382 E HN 0.366 nan 8.360 nan 0.000 0.449 383 P HA 0.106 nan 4.420 nan 0.000 0.269 383 P C 0.069 177.249 177.300 -0.199 0.000 1.209 383 P CA -0.112 62.986 63.100 -0.004 0.000 0.776 383 P CB 0.459 32.181 31.700 0.036 0.000 0.876 384 G N 0.664 109.140 108.800 -0.541 0.000 2.476 384 G HA2 0.337 4.341 3.960 0.074 0.000 0.269 384 G HA3 0.337 4.341 3.960 0.074 0.000 0.269 384 G C 1.024 175.519 174.900 -0.675 0.000 1.195 384 G CA -0.288 44.155 45.100 -1.094 0.000 0.843 384 G HN 0.533 nan 8.290 nan 0.000 0.545 385 T N -0.957 113.362 114.554 -0.392 0.000 3.100 385 T HA -0.049 4.345 4.350 0.074 0.000 0.253 385 T C 1.746 176.302 174.700 -0.240 0.000 1.118 385 T CA 0.516 62.429 62.100 -0.311 0.000 1.058 385 T CB -0.151 68.708 68.868 -0.015 0.000 0.953 385 T HN 0.402 nan 8.240 nan 0.000 0.515 386 N N 2.319 120.886 118.700 -0.221 0.000 2.091 386 N HA -0.047 4.737 4.740 0.074 0.000 0.193 386 N C 2.136 177.485 175.510 -0.269 0.000 1.021 386 N CA 1.644 54.594 53.050 -0.167 0.000 0.862 386 N CB -0.923 37.489 38.487 -0.126 0.000 1.018 386 N HN 0.576 nan 8.380 nan 0.000 0.429 387 G N 0.571 109.089 108.800 -0.470 0.000 2.469 387 G HA2 -0.313 3.691 3.960 0.074 0.000 0.220 387 G HA3 -0.313 3.691 3.960 0.074 0.000 0.220 387 G C 1.314 175.438 174.900 -1.294 0.000 1.136 387 G CA 0.712 45.235 45.100 -0.961 0.000 0.759 387 G HN 0.391 nan 8.290 nan 0.000 0.562 388 Q N -0.545 118.448 119.800 -1.345 0.000 2.234 388 Q HA -0.091 4.293 4.340 0.074 0.000 0.206 388 Q C 1.629 177.264 176.000 -0.608 0.000 0.980 388 Q CA 1.109 56.244 55.803 -1.114 0.000 0.869 388 Q CB -0.099 28.219 28.738 -0.699 0.000 0.912 388 Q HN 0.677 nan 8.270 nan 0.000 0.436 389 H N -2.165 116.686 119.070 -0.365 0.000 2.594 389 H HA 0.378 4.978 4.556 0.074 0.000 0.279 389 H C 0.877 176.117 175.328 -0.147 0.000 1.042 389 H CA 0.447 56.384 56.048 -0.186 0.000 1.177 389 H CB 0.828 30.503 29.762 -0.145 0.000 1.524 389 H HN 0.243 nan 8.280 nan 0.000 0.537 390 A N 0.713 123.445 122.820 -0.147 0.000 2.042 390 A HA 0.134 4.499 4.320 0.074 0.000 0.204 390 A C 1.067 178.713 177.584 0.103 0.000 1.712 390 A CA 0.139 52.157 52.037 -0.033 0.000 0.890 390 A CB -0.100 18.890 19.000 -0.017 0.000 1.176 390 A HN 0.237 nan 8.150 nan 0.000 0.573 391 F N -4.180 115.919 119.950 0.249 0.000 2.856 391 F HA 0.471 5.043 4.527 0.076 0.000 0.338 391 F C 1.026 177.077 175.800 0.418 0.000 1.100 391 F CA -0.814 57.368 58.000 0.303 0.000 1.150 391 F CB -0.104 39.099 39.000 0.339 0.000 1.101 391 F HN 0.051 nan 8.300 nan 0.000 0.548 392 Y N 1.811 122.158 120.300 0.077 0.000 2.421 392 Y HA -0.122 4.472 4.550 0.073 0.000 0.292 392 Y C 2.671 178.769 175.900 0.329 0.000 1.136 392 Y CA 1.239 59.484 58.100 0.242 0.000 1.255 392 Y CB -0.881 37.697 38.460 0.197 0.000 0.991 392 Y HN 0.321 nan 8.280 nan 0.000 0.552 393 Q N 0.744 120.773 119.800 0.382 0.000 2.096 393 Q HA -0.236 4.149 4.340 0.074 0.000 0.208 393 Q C 2.215 178.369 176.000 0.256 0.000 0.993 393 Q CA 2.108 58.078 55.803 0.277 0.000 0.862 393 Q CB -0.841 28.001 28.738 0.173 0.000 0.915 393 Q HN 0.608 nan 8.270 nan 0.000 0.416 394 L N -0.691 120.685 121.223 0.255 0.000 2.093 394 L HA -0.047 4.337 4.340 0.074 0.000 0.208 394 L C 2.179 179.156 176.870 0.178 0.000 1.085 394 L CA 1.040 55.994 54.840 0.189 0.000 0.755 394 L CB -0.165 41.997 42.059 0.172 0.000 0.904 394 L HN 0.360 nan 8.230 nan 0.000 0.435 395 I N -1.026 119.674 120.570 0.216 0.000 2.226 395 I HA -0.314 3.901 4.170 0.074 0.000 0.245 395 I C 2.361 178.482 176.117 0.006 0.000 1.100 395 I CA 1.078 62.424 61.300 0.077 0.000 1.374 395 I CB -0.675 37.299 38.000 -0.043 0.000 1.057 395 I HN 0.370 nan 8.210 nan 0.000 0.413 396 H N 0.449 119.614 119.070 0.159 0.000 2.372 396 H HA 0.054 4.654 4.556 0.074 0.000 0.301 396 H C 1.218 176.606 175.328 0.100 0.000 1.065 396 H CA 1.121 57.288 56.048 0.197 0.000 1.364 396 H CB 0.327 30.306 29.762 0.362 0.000 1.406 396 H HN 0.461 nan 8.280 nan 0.000 0.521 397 Q N -0.029 119.865 119.800 0.157 0.000 2.086 397 Q HA 0.218 4.602 4.340 0.074 0.000 0.220 397 Q C 0.655 176.667 176.000 0.020 0.000 0.792 397 Q CA -0.311 55.496 55.803 0.007 0.000 1.062 397 Q CB 1.959 30.622 28.738 -0.124 0.000 1.198 397 Q HN 0.210 nan 8.270 nan 0.000 0.466 398 G N 0.405 109.238 108.800 0.054 0.000 2.509 398 G HA2 0.193 4.197 3.960 0.074 0.000 0.269 398 G HA3 0.193 4.197 3.960 0.074 0.000 0.269 398 G C 0.646 175.563 174.900 0.027 0.000 1.416 398 G CA 0.114 45.239 45.100 0.041 0.000 1.052 398 G HN 0.166 nan 8.290 nan 0.000 0.542 399 T N -2.686 111.882 114.554 0.023 0.000 3.174 399 T HA 0.417 4.811 4.350 0.074 0.000 0.269 399 T C 0.234 174.949 174.700 0.025 0.000 1.017 399 T CA -0.263 61.849 62.100 0.020 0.000 0.899 399 T CB 0.157 69.033 68.868 0.013 0.000 1.077 399 T HN 0.179 nan 8.240 nan 0.000 0.552 400 K N 1.453 121.870 120.400 0.028 0.000 2.270 400 K HA 0.585 4.950 4.320 0.074 0.000 0.255 400 K C -0.762 175.855 176.600 0.029 0.000 0.936 400 K CA -0.637 55.669 56.287 0.031 0.000 0.809 400 K CB 2.031 34.548 32.500 0.028 0.000 1.131 400 K HN 0.226 nan 8.250 nan 0.000 0.427 401 M N 4.720 124.334 119.600 0.024 0.000 2.108 401 M HA 0.404 4.928 4.480 0.074 0.000 0.354 401 M C -1.239 175.049 176.300 -0.020 0.000 1.229 401 M CA -0.226 55.063 55.300 -0.018 0.000 1.081 401 M CB 0.295 32.876 32.600 -0.031 0.000 1.606 401 M HN 0.560 nan 8.290 nan 0.000 0.467 402 I N 7.740 128.278 120.570 -0.053 0.000 2.521 402 I HA 0.348 4.562 4.170 0.074 0.000 0.277 402 I C -2.287 173.744 176.117 -0.143 0.000 1.054 402 I CA -1.886 59.404 61.300 -0.017 0.000 1.117 402 I CB 1.482 39.545 38.000 0.105 0.000 1.217 402 I HN 0.476 nan 8.210 nan 0.000 0.469 403 P HA 0.057 nan 4.420 nan 0.000 0.263 403 P C -0.872 176.241 177.300 -0.312 0.000 1.195 403 P CA -0.017 62.907 63.100 -0.293 0.000 0.762 403 P CB 0.352 31.940 31.700 -0.186 0.000 0.799 404 C N 3.224 122.391 119.300 -0.221 0.000 2.455 404 C HA 0.383 4.887 4.460 0.074 0.000 0.320 404 C C -0.294 174.676 174.990 -0.034 0.000 1.226 404 C CA -0.451 58.424 59.018 -0.237 0.000 1.569 404 C CB 1.313 29.002 27.740 -0.086 0.000 2.200 404 C HN 0.497 nan 8.230 nan 0.000 0.491 405 D N 1.915 122.273 120.400 -0.070 0.000 2.329 405 D HA 0.427 5.111 4.640 0.074 0.000 0.232 405 D C -0.690 175.727 176.300 0.195 0.000 1.088 405 D CA 0.011 54.138 54.000 0.210 0.000 0.835 405 D CB 0.680 41.705 40.800 0.375 0.000 1.078 405 D HN 0.266 nan 8.370 nan 0.000 0.495 406 F N 2.020 122.049 119.950 0.132 0.000 2.410 406 F HA 0.389 4.961 4.527 0.075 0.000 0.349 406 F C 0.078 176.171 175.800 0.487 0.000 1.117 406 F CA -0.631 57.484 58.000 0.192 0.000 1.104 406 F CB 0.781 39.614 39.000 -0.278 0.000 1.122 406 F HN 0.051 nan 8.300 nan 0.000 0.483 407 L N 5.285 126.924 121.223 0.693 0.000 2.381 407 L HA 0.698 5.083 4.340 0.074 0.000 0.268 407 L C -0.791 176.257 176.870 0.297 0.000 0.997 407 L CA -0.411 54.762 54.840 0.555 0.000 0.818 407 L CB 2.276 44.605 42.059 0.449 0.000 1.310 407 L HN 0.560 nan 8.230 nan 0.000 0.416 408 I N 3.003 123.401 120.570 -0.288 0.000 2.787 408 I HA 0.464 4.679 4.170 0.074 0.000 0.294 408 I C -2.741 172.616 176.117 -1.266 0.000 1.365 408 I CA -1.679 59.234 61.300 -0.644 0.000 1.029 408 I CB 3.487 40.906 38.000 -0.969 0.000 1.313 408 I HN 0.393 nan 8.210 nan 0.000 0.431 409 P HA 0.163 nan 4.420 nan 0.000 0.285 409 P C 0.505 177.679 177.300 -0.209 0.000 1.259 409 P CA -0.179 62.572 63.100 -0.582 0.000 0.794 409 P CB 1.889 33.558 31.700 -0.052 0.000 0.940 410 V N 2.561 122.373 119.914 -0.169 0.000 2.295 410 V HA -0.182 3.982 4.120 0.074 0.000 0.246 410 V C 1.292 177.457 176.094 0.118 0.000 1.049 410 V CA 1.796 64.077 62.300 -0.031 0.000 1.024 410 V CB -0.935 30.857 31.823 -0.052 0.000 0.648 410 V HN 0.587 nan 8.190 nan 0.000 0.447 411 Q N -0.016 119.794 119.800 0.017 0.000 2.257 411 Q HA 0.374 4.758 4.340 0.074 0.000 0.255 411 Q C -0.072 175.797 176.000 -0.218 0.000 0.920 411 Q CA -0.091 55.672 55.803 -0.068 0.000 0.927 411 Q CB 1.743 30.463 28.738 -0.029 0.000 1.229 411 Q HN 0.361 nan 8.270 nan 0.000 0.433 412 T N 1.045 115.307 114.554 -0.485 0.000 2.922 412 T HA 0.059 4.454 4.350 0.074 0.000 0.285 412 T C 1.017 175.571 174.700 -0.243 0.000 1.005 412 T CA -0.460 61.344 62.100 -0.494 0.000 1.061 412 T CB 0.892 69.290 68.868 -0.785 0.000 1.007 412 T HN 0.509 nan 8.240 nan 0.000 0.502 413 Q N 1.631 121.322 119.800 -0.182 0.000 2.369 413 Q HA -0.013 4.371 4.340 0.074 0.000 0.206 413 Q C -0.007 175.645 176.000 -0.579 0.000 0.963 413 Q CA 1.121 56.726 55.803 -0.330 0.000 0.894 413 Q CB 0.068 28.639 28.738 -0.278 0.000 0.965 413 Q HN 0.641 nan 8.270 nan 0.000 0.475 414 H N 0.324 119.348 119.070 -0.077 0.000 2.448 414 H HA 0.199 4.799 4.556 0.074 0.000 0.237 414 H C -2.109 173.157 175.328 -0.104 0.000 1.391 414 H CA -1.765 54.231 56.048 -0.086 0.000 1.477 414 H CB 1.037 30.744 29.762 -0.093 0.000 1.520 414 H HN 0.030 nan 8.280 nan 0.000 0.502 415 P HA 0.065 nan 4.420 nan 0.000 0.225 415 P C 0.782 178.086 177.300 0.007 0.000 1.768 415 P CA -0.165 62.925 63.100 -0.016 0.000 0.943 415 P CB -0.791 30.889 31.700 -0.034 0.000 1.936 416 I N -3.031 117.535 120.570 -0.006 0.000 3.060 416 I HA 0.226 4.441 4.170 0.074 0.000 0.285 416 I C 0.747 176.881 176.117 0.029 0.000 1.190 416 I CA -0.684 60.599 61.300 -0.029 0.000 1.363 416 I CB 0.074 37.990 38.000 -0.140 0.000 1.396 416 I HN -0.044 nan 8.210 nan 0.000 0.607 417 R N 2.239 122.761 120.500 0.036 0.000 3.405 417 R HA -0.207 4.177 4.340 0.074 0.000 0.258 417 R C -0.061 176.279 176.300 0.066 0.000 1.030 417 R CA 1.002 57.146 56.100 0.073 0.000 0.691 417 R CB -1.931 28.460 30.300 0.152 0.000 1.093 417 R HN 0.929 nan 8.270 nan 0.000 0.448 418 K N -1.945 118.480 120.400 0.042 0.000 3.069 418 K HA -0.282 4.082 4.320 0.074 0.000 0.267 418 K C 0.827 177.456 176.600 0.047 0.000 1.082 418 K CA 1.092 57.399 56.287 0.034 0.000 0.782 418 K CB -1.749 30.766 32.500 0.026 0.000 1.230 418 K HN 0.915 nan 8.250 nan 0.000 0.488 419 G N -0.005 108.836 108.800 0.067 0.000 2.157 419 G HA2 -0.341 3.664 3.960 0.074 0.000 0.248 419 G HA3 -0.341 3.664 3.960 0.074 0.000 0.248 419 G C 0.608 175.582 174.900 0.124 0.000 0.979 419 G CA 0.357 45.514 45.100 0.094 0.000 0.650 419 G HN 0.265 nan 8.290 nan 0.000 0.529 420 L N 0.467 121.765 121.223 0.124 0.000 2.012 420 L HA 0.020 4.405 4.340 0.074 0.000 0.210 420 L C 2.496 179.427 176.870 0.101 0.000 1.073 420 L CA 2.996 57.892 54.840 0.093 0.000 0.748 420 L CB -0.620 41.482 42.059 0.071 0.000 0.891 420 L HN 0.493 nan 8.230 nan 0.000 0.431 421 H N -2.064 117.035 119.070 0.048 0.000 2.353 421 H HA -0.197 4.403 4.556 0.074 0.000 0.300 421 H C 2.132 177.517 175.328 0.096 0.000 1.090 421 H CA 1.851 57.932 56.048 0.056 0.000 1.327 421 H CB -0.041 29.750 29.762 0.047 0.000 1.383 421 H HN 0.508 nan 8.280 nan 0.000 0.508 422 H N 1.154 120.305 119.070 0.135 0.000 2.389 422 H HA -0.045 4.555 4.556 0.074 0.000 0.299 422 H C 2.398 177.750 175.328 0.040 0.000 1.081 422 H CA 1.298 57.389 56.048 0.070 0.000 1.345 422 H CB 0.137 29.923 29.762 0.041 0.000 1.393 422 H HN 0.117 nan 8.280 nan 0.000 0.520 423 K N 0.324 120.754 120.400 0.050 0.000 2.032 423 K HA -0.147 4.217 4.320 0.074 0.000 0.209 423 K C 2.057 178.632 176.600 -0.042 0.000 1.048 423 K CA 1.953 58.227 56.287 -0.020 0.000 0.927 423 K CB -0.246 32.258 32.500 0.007 0.000 0.712 423 K HN 0.334 nan 8.250 nan 0.000 0.441 424 I N 1.062 121.621 120.570 -0.019 0.000 2.252 424 I HA -0.280 3.934 4.170 0.074 0.000 0.245 424 I C 2.419 178.543 176.117 0.012 0.000 1.102 424 I CA 0.512 61.802 61.300 -0.017 0.000 1.385 424 I CB -0.222 37.753 38.000 -0.041 0.000 1.064 424 I HN 0.180 nan 8.210 nan 0.000 0.414 425 L N 0.683 121.915 121.223 0.014 0.000 2.012 425 L HA -0.208 4.176 4.340 0.074 0.000 0.210 425 L C 2.340 179.234 176.870 0.040 0.000 1.073 425 L CA 1.897 56.780 54.840 0.071 0.000 0.748 425 L CB -0.448 41.648 42.059 0.061 0.000 0.891 425 L HN 0.121 nan 8.230 nan 0.000 0.431 426 L N -0.823 120.304 121.223 -0.161 0.000 2.046 426 L HA -0.210 4.175 4.340 0.074 0.000 0.208 426 L C 2.684 179.545 176.870 -0.015 0.000 1.077 426 L CA 1.301 56.044 54.840 -0.161 0.000 0.747 426 L CB -0.923 40.979 42.059 -0.261 0.000 0.896 426 L HN 0.380 nan 8.230 nan 0.000 0.432 427 A N 0.009 122.816 122.820 -0.023 0.000 1.908 427 A HA -0.245 4.119 4.320 0.074 0.000 0.218 427 A C 2.120 179.711 177.584 0.011 0.000 1.181 427 A CA 2.081 54.110 52.037 -0.012 0.000 0.627 427 A CB -0.655 18.332 19.000 -0.021 0.000 0.818 427 A HN 0.494 nan 8.150 nan 0.000 0.445 428 N N -1.322 117.421 118.700 0.071 0.000 2.142 428 N HA -0.132 4.653 4.740 0.074 0.000 0.186 428 N C 1.623 177.171 175.510 0.063 0.000 1.023 428 N CA 1.548 54.675 53.050 0.128 0.000 0.852 428 N CB -0.424 38.222 38.487 0.264 0.000 0.998 428 N HN 0.563 nan 8.380 nan 0.000 0.424 429 F N 2.237 122.050 119.950 -0.227 0.000 2.091 429 F HA -0.174 4.397 4.527 0.073 0.000 0.299 429 F C 2.114 177.676 175.800 -0.396 0.000 1.103 429 F CA 1.340 58.969 58.000 -0.618 0.000 1.228 429 F CB -0.309 38.357 39.000 -0.555 0.000 0.984 429 F HN -0.073 nan 8.300 nan 0.000 0.477 430 L N -0.164 120.987 121.223 -0.121 0.000 2.072 430 L HA -0.092 4.292 4.340 0.074 0.000 0.205 430 L C 2.840 179.543 176.870 -0.278 0.000 1.079 430 L CA 1.043 55.760 54.840 -0.205 0.000 0.752 430 L CB -1.215 40.812 42.059 -0.054 0.000 0.906 430 L HN 0.224 nan 8.230 nan 0.000 0.436 431 A N -0.749 121.962 122.820 -0.182 0.000 1.933 431 A HA -0.201 4.164 4.320 0.074 0.000 0.218 431 A C 2.290 179.767 177.584 -0.177 0.000 1.175 431 A CA 1.253 53.197 52.037 -0.156 0.000 0.628 431 A CB -0.345 18.601 19.000 -0.091 0.000 0.814 431 A HN 0.382 nan 8.150 nan 0.000 0.444 432 Q N -0.390 119.297 119.800 -0.189 0.000 2.079 432 Q HA -0.140 4.244 4.340 0.074 0.000 0.200 432 Q C 2.441 178.221 176.000 -0.366 0.000 0.974 432 Q CA 2.247 57.981 55.803 -0.113 0.000 0.840 432 Q CB -0.924 27.910 28.738 0.160 0.000 0.898 432 Q HN 0.881 nan 8.270 nan 0.000 0.430 433 T N -1.726 112.393 114.554 -0.726 0.000 2.904 433 T HA -0.110 4.285 4.350 0.074 0.000 0.267 433 T C 1.711 176.177 174.700 -0.391 0.000 1.059 433 T CA 1.260 62.941 62.100 -0.698 0.000 1.137 433 T CB -0.062 68.302 68.868 -0.840 0.000 0.879 433 T HN 0.313 nan 8.240 nan 0.000 0.467 434 E N 1.463 121.459 120.200 -0.340 0.000 2.051 434 E HA -0.104 4.290 4.350 0.074 0.000 0.192 434 E C 2.471 178.957 176.600 -0.190 0.000 0.991 434 E CA 1.082 57.324 56.400 -0.264 0.000 0.799 434 E CB -0.445 29.111 29.700 -0.240 0.000 0.748 434 E HN 0.647 nan 8.360 nan 0.000 0.449 435 A N 1.017 123.748 122.820 -0.149 0.000 1.902 435 A HA -0.148 4.216 4.320 0.074 0.000 0.217 435 A C 2.213 179.809 177.584 0.019 0.000 1.181 435 A CA 1.116 53.105 52.037 -0.081 0.000 0.623 435 A CB -0.662 18.307 19.000 -0.052 0.000 0.818 435 A HN 0.302 nan 8.150 nan 0.000 0.443 436 L N -1.126 120.096 121.223 -0.002 0.000 2.083 436 L HA -0.195 4.190 4.340 0.074 0.000 0.209 436 L C 2.858 179.704 176.870 -0.040 0.000 1.083 436 L CA 1.449 56.257 54.840 -0.053 0.000 0.752 436 L CB -0.405 41.535 42.059 -0.198 0.000 0.899 436 L HN 0.486 nan 8.230 nan 0.000 0.433 437 M N 0.024 119.574 119.600 -0.083 0.000 2.077 437 M HA -0.203 4.322 4.480 0.074 0.000 0.261 437 M C 2.214 178.501 176.300 -0.021 0.000 1.070 437 M CA 1.948 57.215 55.300 -0.055 0.000 1.125 437 M CB -0.302 32.220 32.600 -0.130 0.000 1.339 437 M HN 0.106 nan 8.290 nan 0.000 0.409 438 K N -0.504 119.864 120.400 -0.052 0.000 2.076 438 K HA 0.088 4.453 4.320 0.074 0.000 0.204 438 K C 1.136 177.741 176.600 0.009 0.000 1.051 438 K CA 0.699 56.965 56.287 -0.036 0.000 0.949 438 K CB -0.274 32.177 32.500 -0.081 0.000 0.726 438 K HN 0.623 nan 8.250 nan 0.000 0.443 439 G N 1.666 110.480 108.800 0.022 0.000 2.601 439 G HA2 -0.330 3.674 3.960 0.074 0.000 0.261 439 G HA3 -0.330 3.674 3.960 0.074 0.000 0.261 439 G C -0.570 174.355 174.900 0.041 0.000 1.289 439 G CA 0.111 45.268 45.100 0.095 0.000 0.920 439 G HN 0.280 nan 8.290 nan 0.000 0.571 440 K N -0.529 119.955 120.400 0.141 0.000 2.656 440 K HA 0.498 4.862 4.320 0.074 0.000 0.253 440 K C -0.043 176.632 176.600 0.125 0.000 1.002 440 K CA -0.787 55.564 56.287 0.107 0.000 0.880 440 K CB 0.710 33.285 32.500 0.126 0.000 1.232 440 K HN 0.571 nan 8.250 nan 0.000 0.456 441 L N 5.511 126.778 121.223 0.073 0.000 2.452 441 L HA 0.175 4.559 4.340 0.074 0.000 0.267 441 L C -1.470 175.433 176.870 0.055 0.000 1.188 441 L CA -1.695 53.180 54.840 0.059 0.000 0.821 441 L CB 0.433 42.516 42.059 0.040 0.000 1.102 441 L HN 0.539 nan 8.230 nan 0.000 0.470 442 P HA -0.222 nan 4.420 nan 0.000 0.217 442 P C 1.031 178.349 177.300 0.030 0.000 1.158 442 P CA 1.260 64.380 63.100 0.032 0.000 0.887 442 P CB 0.185 31.896 31.700 0.019 0.000 0.792 443 E N -0.390 119.825 120.200 0.025 0.000 2.150 443 E HA -0.170 4.224 4.350 0.074 0.000 0.193 443 E C 1.920 178.533 176.600 0.021 0.000 0.985 443 E CA 1.069 57.481 56.400 0.020 0.000 0.814 443 E CB -0.468 29.242 29.700 0.016 0.000 0.752 443 E HN 0.483 nan 8.360 nan 0.000 0.466 444 E N 0.594 120.810 120.200 0.025 0.000 2.072 444 E HA -0.068 4.327 4.350 0.074 0.000 0.190 444 E C 2.037 178.654 176.600 0.028 0.000 0.982 444 E CA 0.924 57.337 56.400 0.022 0.000 0.803 444 E CB -0.066 29.645 29.700 0.019 0.000 0.755 444 E HN 0.186 nan 8.360 nan 0.000 0.453 445 A N 1.598 124.445 122.820 0.045 0.000 1.930 445 A HA -0.189 4.176 4.320 0.074 0.000 0.217 445 A C 2.101 179.709 177.584 0.039 0.000 1.175 445 A CA 1.369 53.440 52.037 0.055 0.000 0.627 445 A CB -0.430 18.618 19.000 0.080 0.000 0.815 445 A HN 0.070 nan 8.150 nan 0.000 0.443 446 R N 0.022 120.541 120.500 0.032 0.000 2.083 446 R HA -0.164 4.220 4.340 0.074 0.000 0.237 446 R C 2.066 178.377 176.300 0.019 0.000 1.137 446 R CA 1.915 58.030 56.100 0.024 0.000 0.951 446 R CB -0.255 30.057 30.300 0.019 0.000 0.851 446 R HN 0.479 nan 8.270 nan 0.000 0.434 447 K N 0.201 120.611 120.400 0.016 0.000 2.097 447 K HA -0.162 4.203 4.320 0.074 0.000 0.206 447 K C 2.045 178.651 176.600 0.010 0.000 1.049 447 K CA 1.680 57.974 56.287 0.011 0.000 0.933 447 K CB -0.056 32.449 32.500 0.008 0.000 0.717 447 K HN 0.393 nan 8.250 nan 0.000 0.442 448 E N 0.794 121.002 120.200 0.013 0.000 2.077 448 E HA -0.154 4.241 4.350 0.074 0.000 0.193 448 E C 2.106 178.715 176.600 0.014 0.000 0.989 448 E CA 0.893 57.300 56.400 0.012 0.000 0.800 448 E CB -0.047 29.662 29.700 0.016 0.000 0.746 448 E HN 0.208 nan 8.360 nan 0.000 0.452 449 L N 0.802 122.037 121.223 0.020 0.000 2.056 449 L HA -0.198 4.187 4.340 0.074 0.000 0.207 449 L C 2.687 179.565 176.870 0.014 0.000 1.078 449 L CA 0.753 55.604 54.840 0.020 0.000 0.749 449 L CB -0.275 41.800 42.059 0.026 0.000 0.901 449 L HN 0.110 nan 8.230 nan 0.000 0.433 450 Q N -0.001 119.807 119.800 0.012 0.000 2.061 450 Q HA -0.205 4.180 4.340 0.074 0.000 0.204 450 Q C 2.391 178.395 176.000 0.006 0.000 0.984 450 Q CA 2.064 57.873 55.803 0.009 0.000 0.846 450 Q CB -0.397 28.346 28.738 0.008 0.000 0.902 450 Q HN 0.535 nan 8.270 nan 0.000 0.421 451 A N 0.278 123.101 122.820 0.005 0.000 2.015 451 A HA -0.006 4.359 4.320 0.074 0.000 0.219 451 A C 2.142 179.727 177.584 0.002 0.000 1.163 451 A CA 1.571 53.610 52.037 0.002 0.000 0.646 451 A CB -0.414 18.586 19.000 0.000 0.000 0.806 451 A HN 0.351 nan 8.150 nan 0.000 0.448 452 A N -1.856 120.967 122.820 0.004 0.000 2.119 452 A HA 0.383 4.747 4.320 0.074 0.000 0.216 452 A C 1.796 179.382 177.584 0.003 0.000 1.152 452 A CA 1.416 53.455 52.037 0.003 0.000 0.708 452 A CB -0.661 18.342 19.000 0.006 0.000 0.805 452 A HN 1.825 nan 8.150 nan 0.000 0.460 453 G N -1.099 107.703 108.800 0.004 0.000 2.148 453 G HA2 -0.162 3.843 3.960 0.074 0.000 0.203 453 G HA3 -0.162 3.843 3.960 0.074 0.000 0.203 453 G C -0.044 174.859 174.900 0.004 0.000 0.993 453 G CA -0.013 45.089 45.100 0.003 0.000 0.661 453 G HN 0.350 nan 8.290 nan 0.000 0.518 454 K N 1.707 122.111 120.400 0.006 0.000 2.350 454 K HA 0.412 4.776 4.320 0.074 0.000 0.279 454 K C 1.180 177.785 176.600 0.007 0.000 1.027 454 K CA 0.444 56.736 56.287 0.008 0.000 0.969 454 K CB 1.290 33.797 32.500 0.011 0.000 0.954 454 K HN 0.695 nan 8.250 nan 0.000 0.474 455 S N 2.297 118.001 115.700 0.007 0.000 2.579 455 S HA 0.105 4.619 4.470 0.074 0.000 0.275 455 S C -1.674 172.931 174.600 0.008 0.000 1.345 455 S CA -1.013 57.191 58.200 0.006 0.000 1.031 455 S CB 0.787 63.990 63.200 0.005 0.000 0.892 455 S HN 0.280 nan 8.310 nan 0.000 0.529 456 P HA -0.162 nan 4.420 nan 0.000 0.218 456 P C 1.274 178.580 177.300 0.011 0.000 1.152 456 P CA 1.560 64.665 63.100 0.009 0.000 0.857 456 P CB 0.074 31.779 31.700 0.007 0.000 0.787 457 E N -0.987 119.218 120.200 0.010 0.000 2.028 457 E HA -0.156 4.238 4.350 0.074 0.000 0.190 457 E C 1.646 178.254 176.600 0.014 0.000 0.984 457 E CA 1.090 57.497 56.400 0.011 0.000 0.800 457 E CB -0.305 29.400 29.700 0.008 0.000 0.758 457 E HN 0.111 nan 8.360 nan 0.000 0.448 458 D N 0.445 120.852 120.400 0.012 0.000 2.144 458 D HA -0.156 4.528 4.640 0.074 0.000 0.199 458 D C 1.996 178.308 176.300 0.020 0.000 0.984 458 D CA 0.513 54.521 54.000 0.013 0.000 0.834 458 D CB -0.198 40.607 40.800 0.008 0.000 0.955 458 D HN 0.167 nan 8.370 nan 0.000 0.465 459 L N 0.773 122.007 121.223 0.020 0.000 1.989 459 L HA -0.218 4.166 4.340 0.074 0.000 0.211 459 L C 2.206 179.094 176.870 0.031 0.000 1.071 459 L CA 1.654 56.508 54.840 0.024 0.000 0.749 459 L CB -0.081 41.990 42.059 0.019 0.000 0.890 459 L HN -0.160 nan 8.230 nan 0.000 0.431 460 E N 0.169 120.385 120.200 0.026 0.000 2.118 460 E HA -0.244 4.150 4.350 0.074 0.000 0.195 460 E C 2.169 178.794 176.600 0.041 0.000 0.992 460 E CA 1.398 57.815 56.400 0.027 0.000 0.804 460 E CB -0.027 29.685 29.700 0.020 0.000 0.741 460 E HN 0.364 nan 8.360 nan 0.000 0.458 461 K N -0.515 119.913 120.400 0.047 0.000 2.097 461 K HA -0.032 4.332 4.320 0.074 0.000 0.205 461 K C 2.090 178.768 176.600 0.130 0.000 1.050 461 K CA 0.780 57.109 56.287 0.070 0.000 0.938 461 K CB -0.054 32.472 32.500 0.043 0.000 0.718 461 K HN 0.200 nan 8.250 nan 0.000 0.442 462 L N 0.689 121.973 121.223 0.101 0.000 2.307 462 L HA -0.080 4.305 4.340 0.074 0.000 0.211 462 L C 2.139 179.102 176.870 0.155 0.000 1.099 462 L CA 0.058 54.975 54.840 0.129 0.000 0.816 462 L CB -0.053 42.041 42.059 0.058 0.000 0.952 462 L HN 0.134 nan 8.230 nan 0.000 0.455 463 L N 1.542 122.818 121.223 0.089 0.000 1.991 463 L HA -0.188 4.196 4.340 0.074 0.000 0.221 463 L C -0.557 176.327 176.870 0.025 0.000 1.079 463 L CA 2.466 57.337 54.840 0.053 0.000 0.778 463 L CB -1.722 40.355 42.059 0.030 0.000 0.893 463 L HN 0.120 nan 8.230 nan 0.000 0.437 464 P HA -0.202 nan 4.420 nan 0.000 0.218 464 P C 1.253 178.437 177.300 -0.195 0.000 1.148 464 P CA 1.812 64.827 63.100 -0.141 0.000 0.822 464 P CB -0.544 31.016 31.700 -0.233 0.000 0.784 465 H N -0.058 118.986 119.070 -0.043 0.000 2.491 465 H HA 0.043 4.644 4.556 0.074 0.000 0.290 465 H C 1.531 176.797 175.328 -0.103 0.000 1.050 465 H CA 0.913 56.919 56.048 -0.071 0.000 1.309 465 H CB 0.046 29.781 29.762 -0.045 0.000 1.392 465 H HN 0.198 nan 8.280 nan 0.000 0.554 466 K N 1.019 121.449 120.400 0.051 0.000 2.404 466 K HA 0.142 4.507 4.320 0.074 0.000 0.194 466 K C 0.348 176.998 176.600 0.084 0.000 1.023 466 K CA -0.001 56.328 56.287 0.070 0.000 1.094 466 K CB 0.789 33.355 32.500 0.110 0.000 0.841 466 K HN -0.017 nan 8.250 nan 0.000 0.523 467 V N 2.304 122.207 119.914 -0.019 0.000 2.530 467 V HA 0.171 4.336 4.120 0.074 0.000 0.282 467 V C -0.227 175.821 176.094 -0.077 0.000 1.048 467 V CA -0.293 62.028 62.300 0.034 0.000 0.997 467 V CB 0.260 32.081 31.823 -0.003 0.000 0.987 467 V HN -0.033 nan 8.190 nan 0.000 0.477 468 F N 2.907 122.870 119.950 0.022 0.000 2.402 468 F HA 0.409 4.980 4.527 0.074 0.000 0.355 468 F C 1.288 177.112 175.800 0.039 0.000 1.123 468 F CA -0.610 57.415 58.000 0.042 0.000 1.021 468 F CB 1.453 40.481 39.000 0.047 0.000 1.160 468 F HN 0.562 nan 8.300 nan 0.000 0.451 469 E N 2.266 122.558 120.200 0.153 0.000 2.268 469 E HA 0.073 4.468 4.350 0.074 0.000 0.195 469 E C 1.680 178.352 176.600 0.120 0.000 0.995 469 E CA 0.550 57.014 56.400 0.106 0.000 0.836 469 E CB 0.006 29.743 29.700 0.061 0.000 0.763 469 E HN 0.952 nan 8.360 nan 0.000 0.491 470 G N 1.885 110.782 108.800 0.162 0.000 2.574 470 G HA2 -0.448 3.556 3.960 0.074 0.000 0.282 470 G HA3 -0.448 3.556 3.960 0.074 0.000 0.282 470 G C 0.253 175.197 174.900 0.075 0.000 1.257 470 G CA 0.156 45.329 45.100 0.121 0.000 0.956 470 G HN 0.344 nan 8.290 nan 0.000 0.560 471 N N -1.090 117.647 118.700 0.061 0.000 2.714 471 N HA -0.179 4.605 4.740 0.074 0.000 0.250 471 N C 0.226 175.752 175.510 0.026 0.000 1.117 471 N CA 1.815 54.901 53.050 0.060 0.000 0.719 471 N CB -0.616 37.916 38.487 0.075 0.000 1.081 471 N HN 0.831 nan 8.380 nan 0.000 0.557 472 R N 0.711 121.210 120.500 -0.002 0.000 2.215 472 R HA 0.366 4.750 4.340 0.074 0.000 0.336 472 R C -2.174 174.084 176.300 -0.070 0.000 0.996 472 R CA -1.429 54.637 56.100 -0.057 0.000 0.847 472 R CB 1.125 31.380 30.300 -0.075 0.000 1.127 472 R HN 0.154 nan 8.270 nan 0.000 0.465 473 P HA 0.107 nan 4.420 nan 0.000 0.279 473 P C -0.799 176.470 177.300 -0.051 0.000 1.239 473 P CA -0.318 62.761 63.100 -0.034 0.000 0.789 473 P CB 1.664 33.355 31.700 -0.015 0.000 0.933 474 T N -0.663 113.908 114.554 0.028 0.000 2.896 474 T HA 0.483 4.878 4.350 0.074 0.000 0.297 474 T C -0.503 174.291 174.700 0.158 0.000 1.108 474 T CA -0.967 61.171 62.100 0.063 0.000 1.004 474 T CB 1.025 69.866 68.868 -0.046 0.000 1.159 474 T HN 0.278 nan 8.240 nan 0.000 0.499 475 N N 0.173 119.006 118.700 0.223 0.000 2.443 475 N HA 0.602 5.386 4.740 0.074 0.000 0.295 475 N C -1.021 174.644 175.510 0.259 0.000 1.076 475 N CA -0.804 52.411 53.050 0.275 0.000 0.919 475 N CB 1.595 40.279 38.487 0.328 0.000 1.176 475 N HN 0.522 nan 8.380 nan 0.000 0.487 476 S N 1.579 117.431 115.700 0.253 0.000 2.498 476 S HA 0.482 4.997 4.470 0.074 0.000 0.317 476 S C -0.567 174.274 174.600 0.401 0.000 1.090 476 S CA -0.528 57.856 58.200 0.306 0.000 1.089 476 S CB 0.358 63.669 63.200 0.184 0.000 0.997 476 S HN 0.352 nan 8.310 nan 0.000 0.470 477 I N 3.771 124.631 120.570 0.484 0.000 2.390 477 I HA 0.412 4.627 4.170 0.074 0.000 0.283 477 I C -0.881 175.474 176.117 0.395 0.000 1.016 477 I CA -0.615 60.948 61.300 0.438 0.000 1.151 477 I CB 1.418 39.688 38.000 0.449 0.000 1.293 477 I HN 0.241 nan 8.210 nan 0.000 0.458 478 V N 6.947 127.020 119.914 0.266 0.000 2.555 478 V HA 0.584 4.749 4.120 0.074 0.000 0.302 478 V C -0.513 175.630 176.094 0.082 0.000 1.038 478 V CA -0.705 61.559 62.300 -0.061 0.000 0.887 478 V CB 1.523 33.306 31.823 -0.066 0.000 0.991 478 V HN 0.524 nan 8.190 nan 0.000 0.434 479 F N -0.053 119.919 119.950 0.038 0.000 2.599 479 F HA 0.599 5.171 4.527 0.075 0.000 0.311 479 F C 1.173 177.001 175.800 0.048 0.000 1.076 479 F CA -0.862 57.172 58.000 0.057 0.000 0.937 479 F CB 1.165 40.200 39.000 0.057 0.000 1.282 479 F HN 0.295 nan 8.300 nan 0.000 0.460 480 T N -0.514 114.171 114.554 0.218 0.000 2.665 480 T HA -0.158 4.236 4.350 0.074 0.000 0.268 480 T C 0.286 175.053 174.700 0.113 0.000 1.035 480 T CA 1.865 64.038 62.100 0.122 0.000 1.151 480 T CB -0.198 68.749 68.868 0.131 0.000 0.862 480 T HN 0.621 nan 8.240 nan 0.000 0.438 481 K N -0.427 120.102 120.400 0.215 0.000 2.578 481 K HA 0.375 4.740 4.320 0.074 0.000 0.269 481 K C -2.100 174.698 176.600 0.328 0.000 0.941 481 K CA -0.764 55.645 56.287 0.203 0.000 0.847 481 K CB 1.326 33.903 32.500 0.128 0.000 1.397 481 K HN -0.079 nan 8.250 nan 0.000 0.422 482 L N 4.017 125.433 121.223 0.322 0.000 2.399 482 L HA 0.227 4.612 4.340 0.074 0.000 0.257 482 L C -0.215 176.770 176.870 0.192 0.000 1.236 482 L CA 0.338 55.347 54.840 0.283 0.000 1.144 482 L CB -0.226 42.025 42.059 0.319 0.000 1.379 482 L HN 0.682 nan 8.230 nan 0.000 0.414 483 T N 0.631 115.262 114.554 0.130 0.000 2.881 483 T HA 0.442 4.836 4.350 0.074 0.000 0.278 483 T C -1.706 172.915 174.700 -0.132 0.000 0.982 483 T CA -1.698 60.401 62.100 -0.002 0.000 0.989 483 T CB 0.982 69.871 68.868 0.034 0.000 1.058 483 T HN 0.186 nan 8.240 nan 0.000 0.529 484 P HA -0.068 nan 4.420 nan 0.000 0.215 484 P C 1.258 178.521 177.300 -0.062 0.000 1.157 484 P CA 0.885 63.844 63.100 -0.235 0.000 0.874 484 P CB -0.151 31.370 31.700 -0.300 0.000 0.790 485 F N 0.014 119.876 119.950 -0.147 0.000 2.069 485 F HA -0.211 4.362 4.527 0.076 0.000 0.298 485 F C 2.013 177.777 175.800 -0.061 0.000 1.113 485 F CA 1.519 59.462 58.000 -0.094 0.000 1.214 485 F CB -0.534 38.390 39.000 -0.128 0.000 0.978 485 F HN -0.239 nan 8.300 nan 0.000 0.474 486 I N 0.074 120.752 120.570 0.180 0.000 2.315 486 I HA -0.229 3.985 4.170 0.074 0.000 0.248 486 I C 2.409 178.453 176.117 -0.123 0.000 1.117 486 I CA 1.056 62.380 61.300 0.039 0.000 1.404 486 I CB -1.372 36.678 38.000 0.082 0.000 1.071 486 I HN 0.298 nan 8.210 nan 0.000 0.419 487 L N 1.580 122.746 121.223 -0.095 0.000 2.042 487 L HA -0.086 4.299 4.340 0.074 0.000 0.210 487 L C 2.428 179.308 176.870 0.017 0.000 1.076 487 L CA 2.280 57.074 54.840 -0.077 0.000 0.749 487 L CB -1.238 40.788 42.059 -0.054 0.000 0.893 487 L HN 0.198 nan 8.230 nan 0.000 0.432 488 G N -1.030 107.774 108.800 0.006 0.000 2.440 488 G HA2 -0.297 3.707 3.960 0.074 0.000 0.218 488 G HA3 -0.297 3.707 3.960 0.074 0.000 0.218 488 G C 1.605 176.560 174.900 0.092 0.000 1.154 488 G CA 0.941 46.133 45.100 0.154 0.000 0.767 488 G HN 0.666 nan 8.290 nan 0.000 0.552 489 A N 0.458 123.215 122.820 -0.105 0.000 1.902 489 A HA 0.100 4.464 4.320 0.074 0.000 0.217 489 A C 2.457 180.075 177.584 0.057 0.000 1.181 489 A CA 1.335 53.340 52.037 -0.053 0.000 0.623 489 A CB -0.389 18.530 19.000 -0.134 0.000 0.818 489 A HN 0.363 nan 8.150 nan 0.000 0.443 490 L N -0.636 120.613 121.223 0.043 0.000 2.056 490 L HA -0.157 4.228 4.340 0.074 0.000 0.207 490 L C 2.465 179.577 176.870 0.404 0.000 1.078 490 L CA 1.171 56.093 54.840 0.137 0.000 0.749 490 L CB -0.502 41.549 42.059 -0.014 0.000 0.901 490 L HN 0.377 nan 8.230 nan 0.000 0.433 491 I N -0.086 120.771 120.570 0.478 0.000 2.179 491 I HA -0.277 3.938 4.170 0.074 0.000 0.242 491 I C 2.812 179.287 176.117 0.596 0.000 1.088 491 I CA 1.216 62.941 61.300 0.708 0.000 1.357 491 I CB -0.528 37.810 38.000 0.563 0.000 1.051 491 I HN 0.186 nan 8.210 nan 0.000 0.409 492 A N 0.520 123.544 122.820 0.339 0.000 1.933 492 A HA -0.262 4.103 4.320 0.074 0.000 0.218 492 A C 2.418 179.973 177.584 -0.048 0.000 1.175 492 A CA 1.817 53.873 52.037 0.032 0.000 0.628 492 A CB -0.671 18.260 19.000 -0.115 0.000 0.814 492 A HN 0.468 nan 8.150 nan 0.000 0.444 493 M N -1.784 117.856 119.600 0.066 0.000 2.080 493 M HA -0.217 4.308 4.480 0.074 0.000 0.260 493 M C 2.007 178.234 176.300 -0.122 0.000 1.068 493 M CA 2.017 57.306 55.300 -0.019 0.000 1.109 493 M CB -0.289 32.275 32.600 -0.061 0.000 1.342 493 M HN 0.515 nan 8.290 nan 0.000 0.405 494 Y N 0.553 120.807 120.300 -0.077 0.000 2.293 494 Y HA -0.176 4.418 4.550 0.074 0.000 0.291 494 Y C 2.269 178.128 175.900 -0.068 0.000 1.137 494 Y CA 1.633 59.563 58.100 -0.283 0.000 1.202 494 Y CB -0.228 37.592 38.460 -1.067 0.000 0.990 494 Y HN 0.362 nan 8.280 nan 0.000 0.537 495 E N -0.705 119.665 120.200 0.283 0.000 2.058 495 E HA -0.247 4.147 4.350 0.074 0.000 0.194 495 E C 1.812 178.550 176.600 0.229 0.000 0.997 495 E CA 1.495 58.113 56.400 0.363 0.000 0.801 495 E CB -0.199 29.682 29.700 0.302 0.000 0.746 495 E HN 0.579 nan 8.360 nan 0.000 0.450 496 H N 0.416 119.526 119.070 0.067 0.000 2.428 496 H HA -0.016 4.584 4.556 0.074 0.000 0.296 496 H C 1.994 177.219 175.328 -0.172 0.000 1.062 496 H CA 0.945 56.849 56.048 -0.238 0.000 1.350 496 H CB -0.100 29.128 29.762 -0.890 0.000 1.403 496 H HN 0.103 nan 8.280 nan 0.000 0.533 497 K N 1.149 121.538 120.400 -0.018 0.000 2.032 497 K HA -0.126 4.239 4.320 0.074 0.000 0.209 497 K C 2.105 178.727 176.600 0.036 0.000 1.048 497 K CA 1.326 57.593 56.287 -0.034 0.000 0.927 497 K CB -0.189 32.259 32.500 -0.086 0.000 0.712 497 K HN 0.149 nan 8.250 nan 0.000 0.441 498 I N 0.661 121.306 120.570 0.125 0.000 2.226 498 I HA -0.268 3.946 4.170 0.074 0.000 0.245 498 I C 2.331 178.545 176.117 0.162 0.000 1.100 498 I CA 1.164 62.555 61.300 0.153 0.000 1.374 498 I CB -0.333 37.811 38.000 0.240 0.000 1.057 498 I HN 0.177 nan 8.210 nan 0.000 0.413 499 F N 1.272 121.313 119.950 0.152 0.000 2.069 499 F HA -0.242 4.327 4.527 0.071 0.000 0.298 499 F C 2.372 178.256 175.800 0.139 0.000 1.113 499 F CA 1.812 59.945 58.000 0.222 0.000 1.214 499 F CB -0.540 38.707 39.000 0.412 0.000 0.978 499 F HN -0.217 nan 8.300 nan 0.000 0.474 500 V N 0.652 120.608 119.914 0.071 0.000 2.287 500 V HA -0.348 3.816 4.120 0.074 0.000 0.248 500 V C 2.369 178.293 176.094 -0.283 0.000 1.053 500 V CA 2.367 64.616 62.300 -0.084 0.000 1.027 500 V CB -0.926 30.931 31.823 0.056 0.000 0.646 500 V HN 0.438 nan 8.190 nan 0.000 0.447 501 Q N -0.040 119.565 119.800 -0.325 0.000 2.084 501 Q HA -0.144 4.240 4.340 0.074 0.000 0.202 501 Q C 2.422 178.029 176.000 -0.656 0.000 0.978 501 Q CA 1.673 57.056 55.803 -0.699 0.000 0.844 501 Q CB -0.593 27.685 28.738 -0.766 0.000 0.898 501 Q HN 0.729 nan 8.270 nan 0.000 0.426 502 G N 1.395 110.044 108.800 -0.252 0.000 2.446 502 G HA2 -0.239 3.765 3.960 0.074 0.000 0.217 502 G HA3 -0.239 3.765 3.960 0.074 0.000 0.217 502 G C 1.388 176.233 174.900 -0.091 0.000 1.168 502 G CA 0.674 45.749 45.100 -0.040 0.000 0.771 502 G HN 0.166 nan 8.290 nan 0.000 0.551 503 I N 0.912 121.311 120.570 -0.286 0.000 2.226 503 I HA -0.114 4.100 4.170 0.074 0.000 0.245 503 I C 2.891 178.924 176.117 -0.141 0.000 1.100 503 I CA 1.099 62.265 61.300 -0.224 0.000 1.374 503 I CB -1.011 36.770 38.000 -0.366 0.000 1.057 503 I HN 0.250 nan 8.210 nan 0.000 0.413 504 M N -1.295 118.159 119.600 -0.243 0.000 2.213 504 M HA -0.208 4.317 4.480 0.074 0.000 0.263 504 M C 1.879 178.085 176.300 -0.157 0.000 1.062 504 M CA 1.548 56.697 55.300 -0.252 0.000 1.105 504 M CB -0.359 32.011 32.600 -0.384 0.000 1.385 504 M HN 0.270 nan 8.290 nan 0.000 0.417 505 W N 0.221 121.490 121.300 -0.052 0.000 3.047 505 W HA 0.025 4.728 4.660 0.072 0.000 0.250 505 W C 0.460 177.027 176.519 0.079 0.000 1.314 505 W CA 0.394 57.753 57.345 0.023 0.000 1.540 505 W CB -0.856 28.673 29.460 0.116 0.000 1.127 505 W HN 0.364 nan 8.180 nan 0.000 0.679 506 D N 0.082 120.614 120.400 0.219 0.000 2.981 506 D HA -0.204 4.480 4.640 0.074 0.000 0.223 506 D C -0.033 176.415 176.300 0.246 0.000 1.151 506 D CA 0.928 55.036 54.000 0.181 0.000 0.827 506 D CB -1.393 39.492 40.800 0.143 0.000 1.101 506 D HN 0.278 nan 8.370 nan 0.000 0.426 507 I N -4.006 116.727 120.570 0.271 0.000 2.947 507 I HA 0.538 4.753 4.170 0.074 0.000 0.314 507 I C 0.447 176.707 176.117 0.238 0.000 1.028 507 I CA -1.097 60.363 61.300 0.267 0.000 1.077 507 I CB 1.302 39.433 38.000 0.219 0.000 1.274 507 I HN -0.161 nan 8.210 nan 0.000 0.485 508 N N 1.883 120.670 118.700 0.145 0.000 2.437 508 N HA 0.215 5.000 4.740 0.074 0.000 0.243 508 N C 0.202 175.653 175.510 -0.097 0.000 1.041 508 N CA -0.011 53.015 53.050 -0.041 0.000 0.940 508 N CB 0.936 39.217 38.487 -0.344 0.000 1.133 508 N HN 0.655 nan 8.380 nan 0.000 0.506 509 S N 2.509 118.054 115.700 -0.259 0.000 2.555 509 S HA 0.055 4.570 4.470 0.074 0.000 0.230 509 S C 0.616 174.802 174.600 -0.688 0.000 0.978 509 S CA 0.526 58.383 58.200 -0.573 0.000 0.934 509 S CB -0.189 62.473 63.200 -0.895 0.000 0.766 509 S HN 0.618 nan 8.310 nan 0.000 0.533 510 F N 0.936 120.930 119.950 0.074 0.000 2.706 510 F HA 0.252 4.820 4.527 0.068 0.000 0.313 510 F C 0.671 176.450 175.800 -0.036 0.000 1.096 510 F CA -0.862 57.184 58.000 0.077 0.000 1.219 510 F CB 0.313 39.366 39.000 0.088 0.000 1.051 510 F HN 0.091 nan 8.300 nan 0.000 0.568 511 D N -0.104 120.265 120.400 -0.051 0.000 2.529 511 D HA 0.311 4.995 4.640 0.074 0.000 0.273 511 D C -0.096 176.008 176.300 -0.326 0.000 1.197 511 D CA -0.532 53.290 54.000 -0.297 0.000 1.070 511 D CB 0.499 41.013 40.800 -0.477 0.000 1.134 511 D HN 0.052 nan 8.370 nan 0.000 0.590 512 Q N -0.787 118.684 119.800 -0.549 0.000 3.693 512 Q HA 0.105 4.490 4.340 0.074 0.000 0.226 512 Q C -0.728 175.093 176.000 -0.298 0.000 0.757 512 Q CA -0.541 55.068 55.803 -0.324 0.000 0.891 512 Q CB -1.325 27.294 28.738 -0.197 0.000 1.561 512 Q HN 0.771 nan 8.270 nan 0.000 0.390 513 W N 1.014 122.293 121.300 -0.035 0.000 2.421 513 W HA 0.039 4.700 4.660 0.001 0.000 0.270 513 W C 1.973 178.465 176.519 -0.045 0.000 1.233 513 W CA 1.104 58.428 57.345 -0.034 0.000 1.226 513 W CB 0.137 29.573 29.460 -0.040 0.000 1.121 513 W HN 0.611 nan 8.180 nan 0.000 0.579 514 G N -0.176 108.689 108.800 0.108 0.000 2.421 514 G HA2 -0.174 3.830 3.960 0.074 0.000 0.217 514 G HA3 -0.174 3.830 3.960 0.074 0.000 0.217 514 G C 1.408 176.323 174.900 0.025 0.000 1.143 514 G CA 1.111 46.236 45.100 0.042 0.000 0.784 514 G HN 0.163 nan 8.290 nan 0.000 0.541 515 V N 0.511 120.423 119.914 -0.003 0.000 2.535 515 V HA -0.032 4.133 4.120 0.074 0.000 0.246 515 V C 2.685 178.783 176.094 0.007 0.000 1.045 515 V CA 1.430 63.718 62.300 -0.019 0.000 1.058 515 V CB 0.059 31.847 31.823 -0.058 0.000 0.689 515 V HN 0.263 nan 8.190 nan 0.000 0.461 516 E N 0.118 120.338 120.200 0.033 0.000 2.110 516 E HA -0.220 4.174 4.350 0.074 0.000 0.193 516 E C 2.104 178.773 176.600 0.116 0.000 0.988 516 E CA 1.112 57.570 56.400 0.096 0.000 0.804 516 E CB -0.485 29.346 29.700 0.219 0.000 0.745 516 E HN 0.492 nan 8.360 nan 0.000 0.458 517 L N 1.038 122.334 121.223 0.121 0.000 2.012 517 L HA -0.080 4.304 4.340 0.074 0.000 0.210 517 L C 2.213 179.116 176.870 0.055 0.000 1.073 517 L CA 2.450 57.342 54.840 0.087 0.000 0.748 517 L CB -0.996 41.108 42.059 0.075 0.000 0.891 517 L HN 0.139 nan 8.230 nan 0.000 0.431 518 G N -0.354 108.469 108.800 0.039 0.000 2.491 518 G HA2 -0.336 3.668 3.960 0.074 0.000 0.218 518 G HA3 -0.336 3.668 3.960 0.074 0.000 0.218 518 G C 1.543 176.456 174.900 0.022 0.000 1.180 518 G CA 1.049 46.161 45.100 0.021 0.000 0.774 518 G HN 0.503 nan 8.290 nan 0.000 0.562 519 K N 0.431 120.845 120.400 0.024 0.000 2.585 519 K HA -0.065 4.299 4.320 0.074 0.000 0.194 519 K C 2.178 178.796 176.600 0.030 0.000 1.037 519 K CA 0.936 57.236 56.287 0.021 0.000 0.964 519 K CB 0.044 32.556 32.500 0.020 0.000 0.787 519 K HN 0.552 nan 8.250 nan 0.000 0.488 520 Q N 0.541 120.363 119.800 0.038 0.000 2.281 520 Q HA 0.075 4.459 4.340 0.074 0.000 0.215 520 Q C 1.410 177.431 176.000 0.036 0.000 0.867 520 Q CA 0.063 55.890 55.803 0.040 0.000 0.940 520 Q CB 0.477 29.244 28.738 0.049 0.000 1.111 520 Q HN 0.302 nan 8.270 nan 0.000 0.513 521 L N -0.160 121.082 121.223 0.032 0.000 2.221 521 L HA 0.245 4.630 4.340 0.074 0.000 0.202 521 L C 2.335 179.224 176.870 0.032 0.000 1.074 521 L CA 0.879 55.739 54.840 0.033 0.000 0.795 521 L CB -0.250 41.825 42.059 0.026 0.000 0.960 521 L HN 0.161 nan 8.230 nan 0.000 0.458 522 A N -0.566 122.268 122.820 0.023 0.000 2.119 522 A HA -0.072 4.293 4.320 0.074 0.000 0.216 522 A C 2.109 179.710 177.584 0.027 0.000 1.152 522 A CA 0.759 52.807 52.037 0.019 0.000 0.708 522 A CB -0.148 18.858 19.000 0.010 0.000 0.805 522 A HN 0.063 nan 8.150 nan 0.000 0.460 523 K N 0.681 121.099 120.400 0.030 0.000 2.152 523 K HA -0.110 4.254 4.320 0.074 0.000 0.206 523 K C 1.646 178.270 176.600 0.041 0.000 1.048 523 K CA 1.519 57.825 56.287 0.031 0.000 0.933 523 K CB -0.268 32.249 32.500 0.029 0.000 0.721 523 K HN 0.562 nan 8.250 nan 0.000 0.447 524 K N -0.072 120.361 120.400 0.055 0.000 2.155 524 K HA 0.072 4.436 4.320 0.074 0.000 0.203 524 K C 2.085 178.748 176.600 0.106 0.000 1.052 524 K CA 0.701 57.034 56.287 0.077 0.000 0.948 524 K CB 0.054 32.612 32.500 0.097 0.000 0.728 524 K HN 0.051 nan 8.250 nan 0.000 0.448 525 I N 0.587 121.211 120.570 0.090 0.000 2.716 525 I HA -0.145 4.069 4.170 0.074 0.000 0.259 525 I C 1.921 178.068 176.117 0.051 0.000 1.172 525 I CA 0.657 62.002 61.300 0.076 0.000 1.478 525 I CB 0.008 38.007 38.000 -0.003 0.000 1.104 525 I HN 0.170 nan 8.210 nan 0.000 0.439 526 E N 1.464 121.687 120.200 0.038 0.000 2.048 526 E HA -0.236 4.158 4.350 0.074 0.000 0.202 526 E C -0.627 175.991 176.600 0.030 0.000 1.021 526 E CA 1.873 58.289 56.400 0.028 0.000 0.825 526 E CB -0.998 28.716 29.700 0.023 0.000 0.756 526 E HN 0.400 nan 8.360 nan 0.000 0.454 527 P HA -0.136 nan 4.420 nan 0.000 0.223 527 P C 0.469 177.789 177.300 0.034 0.000 1.151 527 P CA 1.281 64.398 63.100 0.029 0.000 0.787 527 P CB 0.008 31.725 31.700 0.028 0.000 0.788 528 E N -0.345 119.885 120.200 0.050 0.000 2.347 528 E HA -0.010 4.384 4.350 0.074 0.000 0.196 528 E C 1.951 178.577 176.600 0.044 0.000 1.008 528 E CA 0.382 56.817 56.400 0.059 0.000 0.852 528 E CB -0.387 29.377 29.700 0.106 0.000 0.783 528 E HN 0.302 nan 8.360 nan 0.000 0.505 529 L N 1.209 122.452 121.223 0.033 0.000 2.313 529 L HA -0.019 4.365 4.340 0.074 0.000 0.214 529 L C 0.753 177.633 176.870 0.017 0.000 1.119 529 L CA 0.349 55.203 54.840 0.022 0.000 0.809 529 L CB -0.171 41.898 42.059 0.017 0.000 0.933 529 L HN 0.045 nan 8.230 nan 0.000 0.449 530 E N 1.459 121.670 120.200 0.017 0.000 2.360 530 E HA 0.378 4.772 4.350 0.074 0.000 0.269 530 E C 0.512 177.119 176.600 0.012 0.000 1.022 530 E CA 0.475 56.882 56.400 0.012 0.000 0.887 530 E CB 0.830 30.538 29.700 0.012 0.000 0.990 530 E HN 0.211 nan 8.360 nan 0.000 0.426 531 G N 1.942 110.746 108.800 0.007 0.000 2.781 531 G HA2 -0.265 3.739 3.960 0.074 0.000 0.683 531 G HA3 -0.265 3.739 3.960 0.074 0.000 0.683 531 G C 0.438 175.340 174.900 0.005 0.000 1.390 531 G CA -0.124 44.980 45.100 0.006 0.000 0.850 531 G HN 0.589 nan 8.290 nan 0.000 0.557 532 S N -1.177 114.525 115.700 0.003 0.000 2.575 532 S HA 0.401 4.915 4.470 0.074 0.000 0.215 532 S C 1.375 175.978 174.600 0.006 0.000 0.966 532 S CA 0.959 59.160 58.200 0.001 0.000 0.911 532 S CB -0.060 63.138 63.200 -0.002 0.000 0.780 532 S HN 2.198 nan 8.310 nan 0.000 0.514 533 S N 1.850 117.555 115.700 0.010 0.000 2.562 533 S HA 0.614 5.129 4.470 0.074 0.000 0.281 533 S C 0.304 174.916 174.600 0.020 0.000 1.333 533 S CA -0.472 57.736 58.200 0.013 0.000 1.052 533 S CB 0.601 63.809 63.200 0.013 0.000 0.884 533 S HN 0.610 nan 8.310 nan 0.000 0.506 534 A N 2.831 125.664 122.820 0.021 0.000 2.440 534 A HA 0.519 4.883 4.320 0.074 0.000 0.251 534 A C -0.021 177.585 177.584 0.036 0.000 1.089 534 A CA -0.675 51.379 52.037 0.029 0.000 0.779 534 A CB 0.002 19.018 19.000 0.026 0.000 1.022 534 A HN 0.908 nan 8.150 nan 0.000 0.492 535 V N 2.764 122.710 119.914 0.052 0.000 2.394 535 V HA 0.422 4.586 4.120 0.074 0.000 0.282 535 V C 1.129 177.269 176.094 0.076 0.000 1.031 535 V CA 0.554 62.898 62.300 0.074 0.000 0.881 535 V CB 1.227 33.120 31.823 0.117 0.000 0.982 535 V HN 1.124 nan 8.190 nan 0.000 0.451 536 T N -1.438 113.148 114.554 0.052 0.000 3.091 536 T HA 0.013 4.408 4.350 0.074 0.000 0.277 536 T C 1.416 176.125 174.700 0.014 0.000 0.996 536 T CA 0.425 62.549 62.100 0.039 0.000 0.897 536 T CB 0.234 69.114 68.868 0.020 0.000 1.109 536 T HN 0.635 nan 8.240 nan 0.000 0.534 537 S N 0.473 116.159 115.700 -0.023 0.000 2.489 537 S HA 0.088 4.603 4.470 0.074 0.000 0.228 537 S C 0.792 175.240 174.600 -0.253 0.000 0.995 537 S CA -0.209 57.892 58.200 -0.163 0.000 0.934 537 S CB -0.536 62.508 63.200 -0.261 0.000 0.771 537 S HN 0.689 nan 8.310 nan 0.000 0.522 538 H N 1.922 120.997 119.070 0.009 0.000 2.850 538 H HA 0.319 4.918 4.556 0.071 0.000 0.297 538 H C -0.198 175.135 175.328 0.007 0.000 1.508 538 H CA -0.397 55.656 56.048 0.008 0.000 1.513 538 H CB 0.098 29.866 29.762 0.010 0.000 1.803 538 H HN 0.428 nan 8.280 nan 0.000 0.830 539 D N -0.292 120.205 120.400 0.161 0.000 2.362 539 D HA -0.084 4.600 4.640 0.074 0.000 0.238 539 D C 0.987 177.331 176.300 0.073 0.000 1.212 539 D CA 0.282 54.331 54.000 0.082 0.000 0.902 539 D CB 0.891 41.726 40.800 0.059 0.000 1.180 539 D HN 0.544 nan 8.370 nan 0.000 0.445 540 S N 0.242 115.968 115.700 0.043 0.000 2.423 540 S HA -0.205 4.309 4.470 0.074 0.000 0.231 540 S C 1.979 176.593 174.600 0.023 0.000 1.014 540 S CA 1.102 59.322 58.200 0.034 0.000 0.965 540 S CB -0.228 62.986 63.200 0.022 0.000 0.785 540 S HN 0.568 nan 8.310 nan 0.000 0.495 541 S N 1.655 117.363 115.700 0.012 0.000 2.338 541 S HA -0.118 4.397 4.470 0.074 0.000 0.218 541 S C 1.993 176.585 174.600 -0.014 0.000 1.032 541 S CA 1.884 60.080 58.200 -0.007 0.000 0.999 541 S CB -1.325 61.866 63.200 -0.016 0.000 0.905 541 S HN 0.674 nan 8.310 nan 0.000 0.439 542 T N 3.045 117.586 114.554 -0.021 0.000 2.665 542 T HA -0.110 4.285 4.350 0.074 0.000 0.268 542 T C 1.756 176.430 174.700 -0.043 0.000 1.035 542 T CA 1.682 63.735 62.100 -0.079 0.000 1.151 542 T CB -0.735 68.028 68.868 -0.175 0.000 0.862 542 T HN 0.424 nan 8.240 nan 0.000 0.438 543 N N 1.087 119.807 118.700 0.034 0.000 2.069 543 N HA -0.069 4.715 4.740 0.074 0.000 0.191 543 N C 2.203 177.742 175.510 0.049 0.000 1.031 543 N CA 1.530 54.620 53.050 0.066 0.000 0.852 543 N CB -1.031 37.505 38.487 0.082 0.000 1.018 543 N HN 0.511 nan 8.380 nan 0.000 0.423 544 G N 1.042 109.864 108.800 0.037 0.000 2.422 544 G HA2 -0.145 3.859 3.960 0.074 0.000 0.218 544 G HA3 -0.145 3.859 3.960 0.074 0.000 0.218 544 G C 1.710 176.648 174.900 0.064 0.000 1.146 544 G CA 0.397 45.523 45.100 0.044 0.000 0.769 544 G HN 0.231 nan 8.290 nan 0.000 0.547 545 L N -0.032 121.210 121.223 0.033 0.000 2.056 545 L HA 0.036 4.420 4.340 0.074 0.000 0.207 545 L C 2.806 179.737 176.870 0.102 0.000 1.078 545 L CA 0.582 55.452 54.840 0.051 0.000 0.749 545 L CB -0.314 41.742 42.059 -0.005 0.000 0.901 545 L HN 0.169 nan 8.230 nan 0.000 0.433 546 I N -0.776 119.826 120.570 0.054 0.000 2.226 546 I HA -0.293 3.922 4.170 0.074 0.000 0.245 546 I C 2.597 178.758 176.117 0.073 0.000 1.100 546 I CA 1.179 62.510 61.300 0.052 0.000 1.374 546 I CB -0.233 37.784 38.000 0.029 0.000 1.057 546 I HN 0.168 nan 8.210 nan 0.000 0.413 547 S N 0.522 116.273 115.700 0.085 0.000 2.370 547 S HA -0.209 4.305 4.470 0.074 0.000 0.226 547 S C 1.872 176.533 174.600 0.102 0.000 1.033 547 S CA 1.428 59.677 58.200 0.081 0.000 1.011 547 S CB -0.475 62.773 63.200 0.080 0.000 0.852 547 S HN 0.403 nan 8.310 nan 0.000 0.457 548 F N 2.084 122.032 119.950 -0.002 0.000 2.102 548 F HA -0.072 4.499 4.527 0.073 0.000 0.298 548 F C 1.865 177.663 175.800 -0.003 0.000 1.105 548 F CA 1.075 59.073 58.000 -0.003 0.000 1.239 548 F CB -0.411 38.586 39.000 -0.006 0.000 0.991 548 F HN 0.098 nan 8.300 nan 0.000 0.474 549 I N 0.436 121.064 120.570 0.098 0.000 2.163 549 I HA -0.367 3.848 4.170 0.074 0.000 0.243 549 I C 2.355 178.427 176.117 -0.075 0.000 1.085 549 I CA 1.704 63.003 61.300 -0.003 0.000 1.347 549 I CB -0.505 37.526 38.000 0.053 0.000 1.044 549 I HN 0.096 nan 8.210 nan 0.000 0.408 550 K N 0.148 120.525 120.400 -0.039 0.000 2.097 550 K HA -0.246 4.118 4.320 0.074 0.000 0.205 550 K C 2.135 178.687 176.600 -0.081 0.000 1.050 550 K CA 1.383 57.644 56.287 -0.044 0.000 0.938 550 K CB -0.258 32.234 32.500 -0.012 0.000 0.718 550 K HN 0.429 nan 8.250 nan 0.000 0.442 551 Q N 0.667 120.396 119.800 -0.118 0.000 2.119 551 Q HA -0.168 4.217 4.340 0.074 0.000 0.201 551 Q C 1.650 177.525 176.000 -0.209 0.000 0.972 551 Q CA 1.244 56.959 55.803 -0.147 0.000 0.847 551 Q CB 0.308 28.957 28.738 -0.150 0.000 0.903 551 Q HN 0.206 nan 8.270 nan 0.000 0.433 552 Q N -0.131 119.479 119.800 -0.316 0.000 2.352 552 Q HA 0.018 4.403 4.340 0.074 0.000 0.212 552 Q C 1.744 177.631 176.000 -0.189 0.000 0.888 552 Q CA 0.539 56.140 55.803 -0.336 0.000 0.934 552 Q CB 0.437 28.795 28.738 -0.633 0.000 1.093 552 Q HN 0.544 nan 8.270 nan 0.000 0.523 553 R N 0.073 120.491 120.500 -0.137 0.000 2.235 553 R HA -0.001 4.384 4.340 0.074 0.000 0.213 553 R C 0.290 176.556 176.300 -0.058 0.000 1.059 553 R CA 1.152 57.204 56.100 -0.080 0.000 0.997 553 R CB 0.120 30.387 30.300 -0.055 0.000 0.884 553 R HN -0.049 nan 8.270 nan 0.000 0.462 554 D N 0.890 121.253 120.400 -0.061 0.000 2.369 554 D HA 0.036 4.721 4.640 0.074 0.000 0.211 554 D C -0.156 176.119 176.300 -0.042 0.000 1.077 554 D CA 0.307 54.281 54.000 -0.043 0.000 0.842 554 D CB 0.537 41.315 40.800 -0.037 0.000 0.947 554 D HN 0.098 nan 8.370 nan 0.000 0.509 555 T N 1.440 115.960 114.554 -0.056 0.000 2.888 555 T HA 0.053 4.448 4.350 0.074 0.000 0.301 555 T C 0.491 175.172 174.700 -0.032 0.000 1.001 555 T CA 0.126 62.198 62.100 -0.048 0.000 1.147 555 T CB 1.489 70.319 68.868 -0.065 0.000 0.931 555 T HN -0.134 nan 8.240 nan 0.000 0.541 556 K N 3.619 124.005 120.400 -0.023 0.000 2.248 556 K HA 0.525 4.889 4.320 0.074 0.000 0.281 556 K C -0.590 176.003 176.600 -0.011 0.000 1.054 556 K CA -0.348 55.930 56.287 -0.015 0.000 0.903 556 K CB 0.341 32.835 32.500 -0.011 0.000 1.077 556 K HN 0.496 nan 8.250 nan 0.000 0.474 557 L N 0.000 121.218 121.223 -0.008 0.000 2.949 557 L HA 0.000 4.384 4.340 0.074 0.000 0.249 557 L CA 0.000 54.838 54.840 -0.003 0.000 0.813 557 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 557 L HN 0.000 nan 8.230 nan 0.000 0.502