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 1pyd_1_A DATA FIRST_RESID 2 DATA SEQUENCE SEITLGKYLF ERLKQVNVNT VFGLPGDFNL SLLDKIYEVE GMRWAGNANE DATA SEQUENCE LNAAYAADGY ARIKGMSCII TTFGVGELSA LNGIAGSYAE HVGVLHVVGV DATA SEQUENCE PSISXXXXXX XXHHTLGNGD FTVFHRMSAN ISETTAMITD IATAPAEIDR DATA SEQUENCE CIRTTYVTQR PVYLGLPANL VDLNVPAKLL QTPIDMSLKP NDAESEKEVI DATA SEQUENCE DTILALVKDA KNPVILADAC CSRHDVKAET KKLIDLTQFP AFVTPMGKGS DATA SEQUENCE ISEQHPRYGG VYVGTLSKPE VKEAVESADL ILSVGALLSD XXXXXXXXXX DATA SEQUENCE KTKNIVEFHS DHMKIRNATF PGVQMKFVLQ KLLTNIADAA KGYKPVAVPA DATA SEQUENCE RTPANAAVPA STPLKQEWMW NQLGNFLQEG DVVIAETGTS AFGINQTTFP DATA SEQUENCE NNTYGISQVL WGSIGFTTGA TLGAAFAAEE IDPKKRVILF IGDGSLQLTV DATA SEQUENCE QEISTMIRWG LKPYLFVLNN DGYTIEKLIH GPKAQYNEIQ GWDHLSLLPT DATA SEQUENCE FGAKDYETHR VATTGEWDKL TQDKSFNDNS KIRMIEIMLP VFDAPQNLVK DATA SEQUENCE QAKLT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.613 174.600 0.021 0.000 1.055 2 S CA 0.000 58.210 58.200 0.017 0.000 1.107 2 S CB 0.000 63.212 63.200 0.020 0.000 0.593 3 E N 0.572 120.786 120.200 0.023 0.000 2.378 3 E HA 0.819 5.152 4.350 -0.027 0.000 0.265 3 E C -1.281 175.342 176.600 0.038 0.000 0.932 3 E CA -0.697 55.719 56.400 0.027 0.000 0.795 3 E CB 2.120 31.829 29.700 0.015 0.000 1.296 3 E HN 0.398 nan 8.360 nan 0.000 0.438 4 I N 0.285 120.886 120.570 0.052 0.000 2.894 4 I HA 0.223 4.377 4.170 -0.027 0.000 0.302 4 I C -0.617 175.538 176.117 0.063 0.000 1.188 4 I CA -0.371 60.970 61.300 0.068 0.000 1.014 4 I CB 2.394 40.455 38.000 0.101 0.000 1.242 4 I HN 0.639 nan 8.210 nan 0.000 0.430 5 T N 2.411 117.002 114.554 0.062 0.000 2.898 5 T HA 0.192 4.526 4.350 -0.027 0.000 0.301 5 T C 1.066 175.805 174.700 0.065 0.000 1.049 5 T CA -0.374 61.755 62.100 0.047 0.000 1.095 5 T CB 0.735 69.631 68.868 0.046 0.000 0.976 5 T HN 0.547 nan 8.240 nan 0.000 0.539 6 L N 2.877 124.112 121.223 0.019 0.000 2.042 6 L HA 0.122 4.446 4.340 -0.027 0.000 0.210 6 L C 2.566 179.459 176.870 0.039 0.000 1.076 6 L CA 2.551 57.389 54.840 -0.003 0.000 0.749 6 L CB -1.357 40.662 42.059 -0.067 0.000 0.893 6 L HN 0.993 nan 8.230 nan 0.000 0.432 7 G N -0.922 107.891 108.800 0.022 0.000 2.446 7 G HA2 -0.353 3.591 3.960 -0.027 0.000 0.217 7 G HA3 -0.353 3.591 3.960 -0.027 0.000 0.217 7 G C 1.749 176.694 174.900 0.074 0.000 1.168 7 G CA 0.989 46.102 45.100 0.021 0.000 0.771 7 G HN 0.418 nan 8.290 nan 0.000 0.551 8 K N -0.774 119.715 120.400 0.148 0.000 2.057 8 K HA -0.108 4.195 4.320 -0.027 0.000 0.206 8 K C 2.117 178.782 176.600 0.109 0.000 1.050 8 K CA 0.911 57.316 56.287 0.198 0.000 0.935 8 K CB -0.358 32.222 32.500 0.134 0.000 0.715 8 K HN 0.332 nan 8.250 nan 0.000 0.439 9 Y N 1.886 122.174 120.300 -0.020 0.000 1.997 9 Y HA -0.380 4.154 4.550 -0.028 0.000 0.265 9 Y C 2.116 177.950 175.900 -0.111 0.000 1.193 9 Y CA 2.202 60.271 58.100 -0.053 0.000 1.106 9 Y CB -0.792 37.633 38.460 -0.058 0.000 0.940 9 Y HN 0.139 nan 8.280 nan 0.000 0.494 10 L N -0.458 120.706 121.223 -0.099 0.000 2.021 10 L HA -0.288 4.035 4.340 -0.027 0.000 0.215 10 L C 2.149 178.776 176.870 -0.405 0.000 1.074 10 L CA 2.205 56.853 54.840 -0.320 0.000 0.760 10 L CB -1.024 40.677 42.059 -0.597 0.000 0.889 10 L HN 0.287 nan 8.230 nan 0.000 0.433 11 F N -0.300 119.607 119.950 -0.072 0.000 2.234 11 F HA -0.123 4.388 4.527 -0.027 0.000 0.299 11 F C 2.527 178.259 175.800 -0.114 0.000 1.087 11 F CA 1.332 59.277 58.000 -0.092 0.000 1.340 11 F CB -0.778 38.164 39.000 -0.096 0.000 1.031 11 F HN 0.171 nan 8.300 nan 0.000 0.500 12 E N 0.099 120.296 120.200 -0.005 0.000 2.072 12 E HA -0.158 4.175 4.350 -0.027 0.000 0.191 12 E C 2.303 178.806 176.600 -0.162 0.000 0.985 12 E CA 0.888 57.232 56.400 -0.094 0.000 0.801 12 E CB -0.009 29.581 29.700 -0.182 0.000 0.750 12 E HN -0.069 nan 8.360 nan 0.000 0.452 13 R N -0.268 120.076 120.500 -0.259 0.000 2.066 13 R HA -0.029 4.295 4.340 -0.027 0.000 0.232 13 R C 2.033 178.256 176.300 -0.127 0.000 1.131 13 R CA 0.725 56.682 56.100 -0.238 0.000 0.955 13 R CB -0.844 29.260 30.300 -0.326 0.000 0.851 13 R HN 0.179 nan 8.270 nan 0.000 0.432 14 L N 1.136 122.306 121.223 -0.089 0.000 2.021 14 L HA -0.221 4.102 4.340 -0.027 0.000 0.215 14 L C 2.201 179.066 176.870 -0.009 0.000 1.074 14 L CA 1.968 56.794 54.840 -0.023 0.000 0.760 14 L CB -0.693 41.381 42.059 0.026 0.000 0.889 14 L HN 0.198 nan 8.230 nan 0.000 0.433 15 K N -1.099 119.294 120.400 -0.011 0.000 2.097 15 K HA -0.200 4.103 4.320 -0.027 0.000 0.206 15 K C 2.046 178.626 176.600 -0.032 0.000 1.049 15 K CA 1.289 57.569 56.287 -0.011 0.000 0.933 15 K CB -0.010 32.483 32.500 -0.013 0.000 0.717 15 K HN 0.438 nan 8.250 nan 0.000 0.442 16 Q N 0.023 119.786 119.800 -0.061 0.000 2.124 16 Q HA -0.111 4.213 4.340 -0.027 0.000 0.202 16 Q C 1.641 177.589 176.000 -0.085 0.000 0.977 16 Q CA 1.591 57.348 55.803 -0.076 0.000 0.850 16 Q CB 0.099 28.778 28.738 -0.098 0.000 0.901 16 Q HN 0.332 nan 8.270 nan 0.000 0.429 17 V N -2.232 117.628 119.914 -0.089 0.000 3.415 17 V HA 0.205 4.309 4.120 -0.027 0.000 0.325 17 V C -0.364 175.712 176.094 -0.030 0.000 1.313 17 V CA 0.055 62.281 62.300 -0.123 0.000 1.228 17 V CB -0.975 30.736 31.823 -0.188 0.000 1.131 17 V HN 0.359 nan 8.190 nan 0.000 0.433 18 N N -0.652 118.047 118.700 -0.002 0.000 2.727 18 N HA -0.144 4.580 4.740 -0.027 0.000 0.249 18 N C -0.325 175.253 175.510 0.114 0.000 1.048 18 N CA 0.950 54.025 53.050 0.041 0.000 0.714 18 N CB -1.055 37.452 38.487 0.033 0.000 0.959 18 N HN 0.550 nan 8.380 nan 0.000 0.544 19 V N 0.849 120.833 119.914 0.116 0.000 2.318 19 V HA 0.247 4.350 4.120 -0.027 0.000 0.271 19 V C 0.669 176.801 176.094 0.065 0.000 1.030 19 V CA -0.488 61.914 62.300 0.170 0.000 0.844 19 V CB 1.523 33.416 31.823 0.115 0.000 1.015 19 V HN 0.331 nan 8.190 nan 0.000 0.460 20 N N 2.273 121.019 118.700 0.077 0.000 2.294 20 N HA 0.080 4.804 4.740 -0.027 0.000 0.186 20 N C 0.410 175.760 175.510 -0.265 0.000 1.107 20 N CA 0.201 53.217 53.050 -0.056 0.000 0.884 20 N CB 0.883 39.366 38.487 -0.007 0.000 1.030 20 N HN 0.588 nan 8.380 nan 0.000 0.482 21 T N 0.739 115.009 114.554 -0.474 0.000 2.824 21 T HA 0.566 4.900 4.350 -0.027 0.000 0.282 21 T C -0.261 173.786 174.700 -1.088 0.000 0.993 21 T CA -0.557 60.981 62.100 -0.937 0.000 0.967 21 T CB 2.653 70.682 68.868 -1.399 0.000 0.960 21 T HN -0.320 nan 8.240 nan 0.000 0.441 22 V N 3.439 122.770 119.914 -0.972 0.000 2.555 22 V HA 0.614 4.717 4.120 -0.027 0.000 0.302 22 V C -0.817 174.589 176.094 -1.147 0.000 1.038 22 V CA -0.954 60.927 62.300 -0.699 0.000 0.887 22 V CB 1.229 33.002 31.823 -0.083 0.000 0.991 22 V HN 0.753 nan 8.190 nan 0.000 0.434 23 F N 1.684 121.404 119.950 -0.384 0.000 2.450 23 F HA 0.947 5.457 4.527 -0.028 0.000 0.328 23 F C 0.946 176.536 175.800 -0.350 0.000 1.068 23 F CA 0.419 58.158 58.000 -0.435 0.000 1.007 23 F CB 1.721 40.576 39.000 -0.242 0.000 1.251 23 F HN 0.866 nan 8.300 nan 0.000 0.492 24 G N 0.289 108.999 108.800 -0.149 0.000 2.315 24 G HA2 0.316 4.260 3.960 -0.027 0.000 0.296 24 G HA3 0.316 4.260 3.960 -0.027 0.000 0.296 24 G C -2.461 172.510 174.900 0.117 0.000 1.289 24 G CA -1.130 44.020 45.100 0.083 0.000 0.996 24 G HN 0.565 nan 8.290 nan 0.000 0.487 25 L N 1.406 122.843 121.223 0.357 0.000 2.434 25 L HA 0.696 5.019 4.340 -0.027 0.000 0.260 25 L C -2.060 175.038 176.870 0.380 0.000 0.983 25 L CA -1.463 53.603 54.840 0.376 0.000 0.820 25 L CB 2.714 44.885 42.059 0.187 0.000 1.361 25 L HN 0.555 nan 8.230 nan 0.000 0.410 26 P HA 0.466 nan 4.420 nan 0.000 0.274 26 P C -0.664 176.691 177.300 0.092 0.000 1.237 26 P CA -0.156 63.024 63.100 0.133 0.000 0.793 26 P CB 1.365 33.113 31.700 0.081 0.000 0.977 27 G N 0.205 109.031 108.800 0.044 0.000 2.559 27 G HA2 0.192 4.135 3.960 -0.027 0.000 0.291 27 G HA3 0.192 4.135 3.960 -0.027 0.000 0.291 27 G C 0.002 174.874 174.900 -0.047 0.000 1.424 27 G CA -0.475 44.633 45.100 0.014 0.000 0.786 27 G HN 0.259 nan 8.290 nan 0.000 0.485 28 D N -0.539 119.775 120.400 -0.142 0.000 2.191 28 D HA -0.113 4.510 4.640 -0.027 0.000 0.195 28 D C 1.328 177.304 176.300 -0.539 0.000 1.003 28 D CA 1.721 55.468 54.000 -0.422 0.000 0.867 28 D CB -0.068 40.298 40.800 -0.722 0.000 0.926 28 D HN 0.249 nan 8.370 nan 0.000 0.450 29 F N -0.512 119.490 119.950 0.087 0.000 2.668 29 F HA 0.199 4.711 4.527 -0.024 0.000 0.301 29 F C 1.095 176.914 175.800 0.031 0.000 1.106 29 F CA -0.437 57.600 58.000 0.061 0.000 1.289 29 F CB -0.018 39.036 39.000 0.091 0.000 1.006 29 F HN -0.092 nan 8.300 nan 0.000 0.535 30 N N -0.955 117.819 118.700 0.123 0.000 2.159 30 N HA 0.036 4.760 4.740 -0.027 0.000 0.217 30 N C 1.177 176.678 175.510 -0.015 0.000 1.223 30 N CA 0.142 53.229 53.050 0.062 0.000 0.896 30 N CB -0.377 38.150 38.487 0.066 0.000 1.064 30 N HN -0.003 nan 8.380 nan 0.000 0.518 31 L N 1.069 122.274 121.223 -0.031 0.000 1.990 31 L HA -0.079 4.245 4.340 -0.027 0.000 0.213 31 L C 2.453 179.289 176.870 -0.056 0.000 1.072 31 L CA 1.552 56.353 54.840 -0.064 0.000 0.755 31 L CB -1.546 40.480 42.059 -0.056 0.000 0.889 31 L HN 0.313 nan 8.230 nan 0.000 0.432 32 S N -1.092 114.595 115.700 -0.021 0.000 2.400 32 S HA -0.129 4.325 4.470 -0.027 0.000 0.232 32 S C 1.878 176.483 174.600 0.008 0.000 1.025 32 S CA 0.867 59.064 58.200 -0.005 0.000 0.993 32 S CB -0.191 63.015 63.200 0.009 0.000 0.808 32 S HN 0.356 nan 8.310 nan 0.000 0.478 33 L N 0.394 121.628 121.223 0.020 0.000 2.068 33 L HA 0.036 4.360 4.340 -0.027 0.000 0.204 33 L C 1.904 178.805 176.870 0.052 0.000 1.076 33 L CA 1.350 56.242 54.840 0.087 0.000 0.753 33 L CB -0.762 41.337 42.059 0.067 0.000 0.910 33 L HN 0.319 nan 8.230 nan 0.000 0.439 34 L N 0.477 121.617 121.223 -0.138 0.000 2.083 34 L HA -0.211 4.113 4.340 -0.027 0.000 0.209 34 L C 2.342 178.983 176.870 -0.381 0.000 1.083 34 L CA 1.439 56.026 54.840 -0.422 0.000 0.752 34 L CB -1.327 40.362 42.059 -0.617 0.000 0.899 34 L HN 0.258 nan 8.230 nan 0.000 0.433 35 D N -0.150 120.165 120.400 -0.141 0.000 2.133 35 D HA -0.193 4.431 4.640 -0.027 0.000 0.195 35 D C 2.052 178.318 176.300 -0.057 0.000 0.997 35 D CA 0.987 54.987 54.000 0.001 0.000 0.840 35 D CB 0.027 40.839 40.800 0.020 0.000 0.947 35 D HN 0.253 nan 8.370 nan 0.000 0.452 36 K N 0.559 120.912 120.400 -0.079 0.000 2.211 36 K HA -0.100 4.204 4.320 -0.027 0.000 0.204 36 K C 2.358 178.752 176.600 -0.342 0.000 1.047 36 K CA 0.225 56.482 56.287 -0.050 0.000 0.935 36 K CB -0.384 32.238 32.500 0.204 0.000 0.728 36 K HN 0.328 nan 8.250 nan 0.000 0.452 37 I N 0.570 120.633 120.570 -0.845 0.000 2.151 37 I HA -0.318 3.836 4.170 -0.027 0.000 0.243 37 I C 1.779 177.508 176.117 -0.647 0.000 1.080 37 I CA 1.566 62.197 61.300 -1.115 0.000 1.339 37 I CB -0.360 36.866 38.000 -1.290 0.000 1.039 37 I HN 0.094 nan 8.210 nan 0.000 0.409 38 Y N 0.333 120.497 120.300 -0.226 0.000 2.616 38 Y HA -0.079 4.455 4.550 -0.027 0.000 0.296 38 Y C 1.970 177.821 175.900 -0.081 0.000 1.154 38 Y CA 0.386 58.415 58.100 -0.118 0.000 1.325 38 Y CB -0.661 37.745 38.460 -0.089 0.000 1.007 38 Y HN 0.241 nan 8.280 nan 0.000 0.542 39 E N -0.178 120.031 120.200 0.015 0.000 2.479 39 E HA 0.142 4.476 4.350 -0.027 0.000 0.193 39 E C -0.536 176.069 176.600 0.008 0.000 1.049 39 E CA 0.027 56.442 56.400 0.025 0.000 0.870 39 E CB 0.513 30.230 29.700 0.028 0.000 0.944 39 E HN 0.055 nan 8.360 nan 0.000 0.492 40 V N 1.349 121.248 119.914 -0.024 0.000 2.540 40 V HA 0.192 4.296 4.120 -0.027 0.000 0.302 40 V C -0.081 175.998 176.094 -0.025 0.000 1.035 40 V CA -0.969 61.320 62.300 -0.019 0.000 0.873 40 V CB 2.001 33.817 31.823 -0.013 0.000 0.992 40 V HN 0.051 nan 8.190 nan 0.000 0.428 41 E N 2.276 122.472 120.200 -0.007 0.000 2.301 41 E HA 0.477 4.811 4.350 -0.027 0.000 0.275 41 E C 1.144 177.738 176.600 -0.010 0.000 1.030 41 E CA 0.771 57.172 56.400 0.001 0.000 0.852 41 E CB 1.352 31.057 29.700 0.009 0.000 1.060 41 E HN 1.048 nan 8.360 nan 0.000 0.401 42 G N 3.595 112.391 108.800 -0.007 0.000 2.225 42 G HA2 -0.217 3.727 3.960 -0.027 0.000 0.254 42 G HA3 -0.217 3.727 3.960 -0.027 0.000 0.254 42 G C 0.239 175.106 174.900 -0.055 0.000 0.988 42 G CA 0.349 45.439 45.100 -0.017 0.000 0.625 42 G HN 0.401 nan 8.290 nan 0.000 0.527 43 M N 0.510 120.062 119.600 -0.079 0.000 2.367 43 M HA 0.672 5.136 4.480 -0.027 0.000 0.339 43 M C 0.702 176.897 176.300 -0.174 0.000 1.177 43 M CA -0.393 54.815 55.300 -0.153 0.000 1.068 43 M CB 1.307 33.790 32.600 -0.194 0.000 1.602 43 M HN 0.575 nan 8.290 nan 0.000 0.457 44 R N 0.622 120.964 120.500 -0.263 0.000 2.710 44 R HA 0.531 4.855 4.340 -0.027 0.000 0.270 44 R C -1.747 174.388 176.300 -0.275 0.000 1.021 44 R CA -0.949 55.027 56.100 -0.206 0.000 0.889 44 R CB 1.914 32.018 30.300 -0.326 0.000 1.243 44 R HN 0.829 nan 8.270 nan 0.000 0.464 45 W N 2.321 123.438 121.300 -0.305 0.000 2.376 45 W HA 0.444 5.086 4.660 -0.029 0.000 0.312 45 W C -0.176 176.297 176.519 -0.077 0.000 1.060 45 W CA -0.391 56.795 57.345 -0.264 0.000 1.221 45 W CB 1.915 31.283 29.460 -0.153 0.000 1.281 45 W HN 0.945 nan 8.180 nan 0.000 0.456 46 A N 4.408 126.740 122.820 -0.813 0.000 1.969 46 A HA 0.142 4.445 4.320 -0.027 0.000 0.218 46 A C 1.432 178.993 177.584 -0.038 0.000 1.169 46 A CA 1.281 53.091 52.037 -0.377 0.000 0.635 46 A CB -1.078 17.677 19.000 -0.408 0.000 0.810 46 A HN 1.491 nan 8.150 nan 0.000 0.445 47 G N 0.146 108.593 108.800 -0.588 0.000 2.392 47 G HA2 -0.244 3.699 3.960 -0.027 0.000 0.290 47 G HA3 -0.244 3.699 3.960 -0.027 0.000 0.290 47 G C -0.303 174.573 174.900 -0.039 0.000 1.032 47 G CA 0.262 45.270 45.100 -0.154 0.000 1.269 47 G HN 0.699 nan 8.290 nan 0.000 0.511 48 N N -0.356 118.268 118.700 -0.127 0.000 2.415 48 N HA 0.469 5.193 4.740 -0.027 0.000 0.248 48 N C 1.574 177.086 175.510 0.004 0.000 1.271 48 N CA 0.441 53.481 53.050 -0.016 0.000 0.913 48 N CB 0.567 39.041 38.487 -0.021 0.000 1.129 48 N HN 0.585 nan 8.380 nan 0.000 0.444 49 A N 0.867 123.682 122.820 -0.008 0.000 2.178 49 A HA 0.041 4.345 4.320 -0.027 0.000 0.211 49 A C 0.075 177.653 177.584 -0.009 0.000 1.157 49 A CA 0.829 52.850 52.037 -0.027 0.000 0.780 49 A CB -0.652 18.295 19.000 -0.090 0.000 0.828 49 A HN 0.867 nan 8.150 nan 0.000 0.476 50 N N -2.898 115.801 118.700 -0.003 0.000 3.043 50 N HA 0.235 4.959 4.740 -0.027 0.000 0.243 50 N C -0.499 174.999 175.510 -0.019 0.000 1.347 50 N CA -0.342 52.706 53.050 -0.003 0.000 0.896 50 N CB 0.289 38.776 38.487 -0.001 0.000 1.501 50 N HN -0.163 nan 8.380 nan 0.000 0.504 51 E N 0.183 120.369 120.200 -0.023 0.000 2.107 51 E HA 0.077 4.410 4.350 -0.027 0.000 0.191 51 E C 1.310 177.836 176.600 -0.123 0.000 0.982 51 E CA 0.765 57.140 56.400 -0.042 0.000 0.809 51 E CB -0.026 29.662 29.700 -0.019 0.000 0.756 51 E HN 0.541 nan 8.360 nan 0.000 0.459 52 L N 0.869 121.995 121.223 -0.162 0.000 2.046 52 L HA -0.200 4.124 4.340 -0.027 0.000 0.208 52 L C 1.372 177.950 176.870 -0.487 0.000 1.077 52 L CA 1.352 55.988 54.840 -0.340 0.000 0.747 52 L CB -0.167 41.720 42.059 -0.286 0.000 0.896 52 L HN 0.188 nan 8.230 nan 0.000 0.432 53 N N 0.279 118.849 118.700 -0.216 0.000 2.188 53 N HA -0.109 4.614 4.740 -0.027 0.000 0.184 53 N C 1.749 177.219 175.510 -0.067 0.000 1.018 53 N CA 1.364 54.377 53.050 -0.061 0.000 0.858 53 N CB -0.297 38.202 38.487 0.020 0.000 0.989 53 N HN 0.376 nan 8.380 nan 0.000 0.426 54 A N 0.756 123.527 122.820 -0.082 0.000 1.898 54 A HA 0.106 4.409 4.320 -0.027 0.000 0.216 54 A C 2.313 179.824 177.584 -0.122 0.000 1.181 54 A CA 1.706 53.712 52.037 -0.051 0.000 0.620 54 A CB -0.834 18.165 19.000 -0.001 0.000 0.819 54 A HN 0.287 nan 8.150 nan 0.000 0.442 55 A N -0.990 121.737 122.820 -0.154 0.000 1.877 55 A HA -0.083 4.220 4.320 -0.027 0.000 0.216 55 A C 2.064 179.633 177.584 -0.026 0.000 1.186 55 A CA 1.634 53.583 52.037 -0.146 0.000 0.620 55 A CB -0.867 18.001 19.000 -0.220 0.000 0.822 55 A HN 0.542 nan 8.150 nan 0.000 0.443 56 Y N -0.047 120.227 120.300 -0.043 0.000 2.207 56 Y HA -0.090 4.444 4.550 -0.027 0.000 0.287 56 Y C 2.892 178.652 175.900 -0.234 0.000 1.156 56 Y CA 0.309 58.389 58.100 -0.032 0.000 1.182 56 Y CB -1.109 37.324 38.460 -0.046 0.000 0.979 56 Y HN 0.339 nan 8.280 nan 0.000 0.521 57 A N -0.127 122.562 122.820 -0.217 0.000 1.897 57 A HA 0.020 4.323 4.320 -0.027 0.000 0.215 57 A C 2.513 179.624 177.584 -0.789 0.000 1.181 57 A CA 1.471 53.197 52.037 -0.518 0.000 0.620 57 A CB -1.108 17.539 19.000 -0.589 0.000 0.821 57 A HN 0.347 nan 8.150 nan 0.000 0.443 58 A N 0.136 122.435 122.820 -0.869 0.000 1.908 58 A HA -0.238 4.066 4.320 -0.027 0.000 0.218 58 A C 1.955 179.488 177.584 -0.084 0.000 1.181 58 A CA 2.006 53.739 52.037 -0.506 0.000 0.627 58 A CB -0.600 18.317 19.000 -0.138 0.000 0.818 58 A HN 0.604 nan 8.150 nan 0.000 0.445 59 D N -0.325 120.064 120.400 -0.018 0.000 2.081 59 D HA -0.118 4.505 4.640 -0.027 0.000 0.194 59 D C 2.172 178.543 176.300 0.119 0.000 0.986 59 D CA 1.929 56.006 54.000 0.129 0.000 0.837 59 D CB -0.711 40.268 40.800 0.298 0.000 0.985 59 D HN 0.280 nan 8.370 nan 0.000 0.448 60 G N -0.611 108.221 108.800 0.054 0.000 2.469 60 G HA2 -0.340 3.603 3.960 -0.027 0.000 0.219 60 G HA3 -0.340 3.603 3.960 -0.027 0.000 0.219 60 G C 1.710 176.635 174.900 0.042 0.000 1.150 60 G CA 1.223 46.334 45.100 0.019 0.000 0.763 60 G HN 0.458 nan 8.290 nan 0.000 0.561 61 Y N 2.002 122.255 120.300 -0.079 0.000 2.224 61 Y HA 0.041 4.575 4.550 -0.027 0.000 0.289 61 Y C 2.881 178.807 175.900 0.043 0.000 1.146 61 Y CA 1.289 59.400 58.100 0.019 0.000 1.182 61 Y CB -0.387 38.153 38.460 0.132 0.000 0.983 61 Y HN 0.254 nan 8.280 nan 0.000 0.524 62 A N 0.701 123.686 122.820 0.275 0.000 1.902 62 A HA -0.205 4.098 4.320 -0.027 0.000 0.217 62 A C 2.262 179.888 177.584 0.071 0.000 1.181 62 A CA 1.855 54.008 52.037 0.193 0.000 0.623 62 A CB -0.602 18.497 19.000 0.165 0.000 0.818 62 A HN 0.558 nan 8.150 nan 0.000 0.443 63 R N -0.788 119.744 120.500 0.053 0.000 2.148 63 R HA -0.038 4.285 4.340 -0.027 0.000 0.227 63 R C 1.575 177.874 176.300 -0.002 0.000 1.103 63 R CA 1.274 57.393 56.100 0.032 0.000 0.983 63 R CB -0.198 30.138 30.300 0.060 0.000 0.874 63 R HN 0.459 nan 8.270 nan 0.000 0.451 64 I N -0.081 120.439 120.570 -0.082 0.000 2.628 64 I HA -0.021 4.133 4.170 -0.027 0.000 0.255 64 I C 1.792 177.838 176.117 -0.118 0.000 1.119 64 I CA 1.091 62.295 61.300 -0.160 0.000 1.448 64 I CB -0.454 37.341 38.000 -0.341 0.000 1.133 64 I HN -0.079 nan 8.210 nan 0.000 0.438 65 K N 0.297 120.575 120.400 -0.204 0.000 2.323 65 K HA 0.238 4.541 4.320 -0.027 0.000 0.197 65 K C 1.260 177.870 176.600 0.016 0.000 1.043 65 K CA 0.996 57.189 56.287 -0.158 0.000 0.997 65 K CB 0.398 32.672 32.500 -0.376 0.000 0.807 65 K HN 0.346 nan 8.250 nan 0.000 0.497 66 G N -0.308 108.521 108.800 0.048 0.000 2.284 66 G HA2 -0.192 3.752 3.960 -0.027 0.000 0.201 66 G HA3 -0.192 3.752 3.960 -0.027 0.000 0.201 66 G C 0.044 175.028 174.900 0.141 0.000 0.998 66 G CA 0.107 45.259 45.100 0.086 0.000 0.651 66 G HN 0.235 nan 8.290 nan 0.000 0.489 67 M N 0.402 120.133 119.600 0.218 0.000 2.853 67 M HA 0.511 4.975 4.480 -0.027 0.000 0.273 67 M C -1.104 175.402 176.300 0.343 0.000 1.128 67 M CA 0.175 55.628 55.300 0.256 0.000 0.814 67 M CB 1.765 34.564 32.600 0.332 0.000 1.667 67 M HN 0.919 nan 8.290 nan 0.000 0.519 68 S N 0.428 116.292 115.700 0.272 0.000 2.656 68 S HA 0.844 5.298 4.470 -0.027 0.000 0.273 68 S C -1.640 173.058 174.600 0.165 0.000 1.168 68 S CA -0.827 57.526 58.200 0.255 0.000 0.817 68 S CB 1.891 65.263 63.200 0.286 0.000 1.146 68 S HN 1.022 nan 8.310 nan 0.000 0.475 69 C N 1.470 120.854 119.300 0.140 0.000 2.686 69 C HA 0.820 5.264 4.460 -0.027 0.000 0.318 69 C C -1.125 173.979 174.990 0.191 0.000 1.160 69 C CA -0.525 58.576 59.018 0.138 0.000 1.396 69 C CB 0.185 27.983 27.740 0.097 0.000 1.924 69 C HN 0.980 nan 8.230 nan 0.000 0.471 70 I N 6.512 127.204 120.570 0.205 0.000 2.533 70 I HA 0.645 4.798 4.170 -0.027 0.000 0.290 70 I C -1.374 174.916 176.117 0.289 0.000 1.056 70 I CA -0.865 60.576 61.300 0.235 0.000 1.057 70 I CB 1.535 39.634 38.000 0.164 0.000 1.240 70 I HN 0.687 nan 8.210 nan 0.000 0.423 71 I N 6.856 127.622 120.570 0.327 0.000 2.378 71 I HA 0.432 4.586 4.170 -0.027 0.000 0.291 71 I C 0.085 176.396 176.117 0.323 0.000 0.992 71 I CA -0.265 61.222 61.300 0.311 0.000 1.154 71 I CB 1.994 40.174 38.000 0.299 0.000 1.315 71 I HN 0.585 nan 8.210 nan 0.000 0.448 72 T N 0.444 115.145 114.554 0.245 0.000 2.916 72 T HA 0.540 4.874 4.350 -0.027 0.000 0.292 72 T C -0.400 174.393 174.700 0.155 0.000 1.064 72 T CA -0.752 61.478 62.100 0.217 0.000 1.011 72 T CB 2.079 71.122 68.868 0.291 0.000 1.152 72 T HN 0.437 nan 8.240 nan 0.000 0.510 73 T N 0.847 115.490 114.554 0.148 0.000 2.925 73 T HA 0.513 4.846 4.350 -0.027 0.000 0.285 73 T C -0.604 174.217 174.700 0.201 0.000 1.021 73 T CA -0.731 61.489 62.100 0.200 0.000 1.042 73 T CB 0.258 69.234 68.868 0.180 0.000 1.037 73 T HN 0.583 nan 8.240 nan 0.000 0.481 74 F N 3.845 123.906 119.950 0.186 0.000 2.439 74 F HA 0.225 4.734 4.527 -0.030 0.000 0.417 74 F C 1.416 177.253 175.800 0.061 0.000 0.957 74 F CA 1.970 60.078 58.000 0.179 0.000 1.146 74 F CB -0.460 38.645 39.000 0.176 0.000 0.911 74 F HN 0.917 nan 8.300 nan 0.000 0.531 75 G N 3.869 112.231 108.800 -0.731 0.000 5.452 75 G HA2 -0.396 3.548 3.960 -0.027 0.000 0.310 75 G HA3 -0.396 3.548 3.960 -0.027 0.000 0.310 75 G C 1.059 175.557 174.900 -0.670 0.000 1.392 75 G CA 1.129 45.518 45.100 -1.185 0.000 0.942 75 G HN 1.608 nan 8.290 nan 0.000 0.776 76 V N -0.158 119.523 119.914 -0.388 0.000 2.407 76 V HA 0.288 4.392 4.120 -0.027 0.000 0.248 76 V C 2.716 178.718 176.094 -0.152 0.000 1.055 76 V CA 2.729 64.890 62.300 -0.232 0.000 1.049 76 V CB -1.383 30.325 31.823 -0.192 0.000 0.662 76 V HN 1.506 nan 8.190 nan 0.000 0.455 77 G N 1.179 109.913 108.800 -0.109 0.000 2.408 77 G HA2 -0.139 3.805 3.960 -0.027 0.000 0.213 77 G HA3 -0.139 3.805 3.960 -0.027 0.000 0.213 77 G C 1.513 176.428 174.900 0.024 0.000 1.177 77 G CA 0.758 45.852 45.100 -0.010 0.000 0.802 77 G HN 0.757 nan 8.290 nan 0.000 0.533 78 E N 0.435 120.657 120.200 0.037 0.000 2.077 78 E HA -0.046 4.288 4.350 -0.027 0.000 0.193 78 E C 2.317 178.960 176.600 0.071 0.000 0.989 78 E CA 0.639 57.138 56.400 0.166 0.000 0.800 78 E CB -0.511 29.316 29.700 0.212 0.000 0.746 78 E HN 0.369 nan 8.360 nan 0.000 0.452 79 L N 1.266 122.441 121.223 -0.081 0.000 2.201 79 L HA -0.080 4.244 4.340 -0.027 0.000 0.212 79 L C 2.313 179.154 176.870 -0.049 0.000 1.105 79 L CA 1.097 55.888 54.840 -0.082 0.000 0.775 79 L CB -0.282 41.654 42.059 -0.204 0.000 0.913 79 L HN 0.207 nan 8.230 nan 0.000 0.440 80 S N -0.126 115.542 115.700 -0.054 0.000 2.461 80 S HA -0.001 4.453 4.470 -0.027 0.000 0.228 80 S C 1.990 176.546 174.600 -0.073 0.000 1.005 80 S CA 0.867 59.037 58.200 -0.050 0.000 0.942 80 S CB 0.105 63.278 63.200 -0.045 0.000 0.776 80 S HN 0.479 nan 8.310 nan 0.000 0.514 81 A N 1.035 123.810 122.820 -0.075 0.000 2.081 81 A HA 0.228 4.532 4.320 -0.027 0.000 0.214 81 A C 1.746 179.254 177.584 -0.127 0.000 1.158 81 A CA 0.239 52.187 52.037 -0.149 0.000 0.724 81 A CB -0.378 18.489 19.000 -0.221 0.000 0.826 81 A HN 0.322 nan 8.150 nan 0.000 0.463 82 L N 1.173 122.368 121.223 -0.046 0.000 2.085 82 L HA -0.294 4.029 4.340 -0.027 0.000 0.218 82 L C 2.272 179.152 176.870 0.016 0.000 1.080 82 L CA 2.165 57.003 54.840 -0.002 0.000 0.776 82 L CB -1.161 40.920 42.059 0.036 0.000 0.891 82 L HN 0.655 nan 8.230 nan 0.000 0.437 83 N N -0.731 118.005 118.700 0.060 0.000 2.309 83 N HA -0.136 4.588 4.740 -0.027 0.000 0.182 83 N C 1.796 177.438 175.510 0.220 0.000 1.018 83 N CA 1.100 54.280 53.050 0.217 0.000 0.876 83 N CB 0.083 38.727 38.487 0.261 0.000 0.972 83 N HN 0.439 nan 8.380 nan 0.000 0.434 84 G N 1.555 110.375 108.800 0.034 0.000 2.404 84 G HA2 -0.099 3.844 3.960 -0.027 0.000 0.214 84 G HA3 -0.099 3.844 3.960 -0.027 0.000 0.214 84 G C 1.536 176.439 174.900 0.005 0.000 1.189 84 G CA 0.220 45.374 45.100 0.091 0.000 0.789 84 G HN 0.195 nan 8.290 nan 0.000 0.533 85 I N 2.247 122.772 120.570 -0.075 0.000 2.264 85 I HA -0.150 4.004 4.170 -0.027 0.000 0.248 85 I C 3.198 179.224 176.117 -0.151 0.000 1.111 85 I CA 1.031 62.282 61.300 -0.081 0.000 1.382 85 I CB -1.370 36.595 38.000 -0.058 0.000 1.060 85 I HN 0.253 nan 8.210 nan 0.000 0.418 86 A N 0.856 123.519 122.820 -0.262 0.000 1.902 86 A HA -0.065 4.239 4.320 -0.027 0.000 0.217 86 A C 2.503 179.482 177.584 -1.008 0.000 1.181 86 A CA 1.766 53.481 52.037 -0.538 0.000 0.623 86 A CB -1.266 17.382 19.000 -0.586 0.000 0.818 86 A HN 0.427 nan 8.150 nan 0.000 0.443 87 G N -1.038 107.076 108.800 -1.144 0.000 2.448 87 G HA2 -0.013 3.931 3.960 -0.027 0.000 0.218 87 G HA3 -0.013 3.931 3.960 -0.027 0.000 0.218 87 G C 1.679 176.309 174.900 -0.451 0.000 1.135 87 G CA 1.182 45.571 45.100 -1.184 0.000 0.784 87 G HN 0.499 nan 8.290 nan 0.000 0.543 88 S N -0.423 115.125 115.700 -0.255 0.000 2.377 88 S HA -0.051 4.403 4.470 -0.027 0.000 0.223 88 S C 1.898 176.413 174.600 -0.142 0.000 1.030 88 S CA 0.684 58.816 58.200 -0.113 0.000 0.970 88 S CB -0.394 62.790 63.200 -0.027 0.000 0.830 88 S HN 0.485 nan 8.310 nan 0.000 0.473 89 Y N 2.638 122.778 120.300 -0.266 0.000 2.089 89 Y HA -0.147 4.390 4.550 -0.022 0.000 0.282 89 Y C 2.546 178.259 175.900 -0.312 0.000 1.139 89 Y CA 1.249 59.187 58.100 -0.270 0.000 1.123 89 Y CB -0.854 37.456 38.460 -0.250 0.000 0.980 89 Y HN 0.212 nan 8.280 nan 0.000 0.493 90 A N 0.116 122.831 122.820 -0.174 0.000 1.940 90 A HA -0.206 4.098 4.320 -0.027 0.000 0.219 90 A C 1.851 179.385 177.584 -0.084 0.000 1.176 90 A CA 2.116 54.086 52.037 -0.112 0.000 0.631 90 A CB -0.563 18.425 19.000 -0.019 0.000 0.814 90 A HN 0.689 nan 8.150 nan 0.000 0.446 91 E N -1.835 118.307 120.200 -0.096 0.000 2.498 91 E HA 0.169 4.503 4.350 -0.027 0.000 0.203 91 E C -0.868 175.808 176.600 0.126 0.000 1.013 91 E CA -0.147 56.276 56.400 0.038 0.000 0.927 91 E CB 0.144 29.843 29.700 -0.001 0.000 1.012 91 E HN 0.734 nan 8.360 nan 0.000 0.482 92 H N -0.731 118.279 119.070 -0.100 0.000 2.929 92 H HA -0.108 4.432 4.556 -0.026 0.000 0.341 92 H C -1.241 174.026 175.328 -0.102 0.000 1.258 92 H CA 0.151 56.142 56.048 -0.095 0.000 1.185 92 H CB -1.878 27.875 29.762 -0.015 0.000 1.553 92 H HN -0.080 nan 8.280 nan 0.000 0.438 93 V N 0.239 120.133 119.914 -0.034 0.000 2.378 93 V HA 0.484 4.588 4.120 -0.027 0.000 0.288 93 V C 1.265 177.356 176.094 -0.004 0.000 1.016 93 V CA -0.218 62.076 62.300 -0.010 0.000 0.840 93 V CB 2.075 33.910 31.823 0.021 0.000 0.994 93 V HN 0.725 nan 8.190 nan 0.000 0.431 94 G N 4.334 113.131 108.800 -0.006 0.000 2.563 94 G HA2 0.376 4.320 3.960 -0.027 0.000 0.295 94 G HA3 0.376 4.320 3.960 -0.027 0.000 0.295 94 G C -0.277 174.675 174.900 0.088 0.000 0.874 94 G CA 0.024 45.146 45.100 0.036 0.000 1.642 94 G HN 0.546 nan 8.290 nan 0.000 0.483 95 V N 4.373 124.341 119.914 0.090 0.000 2.370 95 V HA 0.285 4.388 4.120 -0.027 0.000 0.283 95 V C 0.020 176.192 176.094 0.130 0.000 1.023 95 V CA -0.962 61.403 62.300 0.109 0.000 0.857 95 V CB 1.426 33.297 31.823 0.081 0.000 0.985 95 V HN 0.596 nan 8.190 nan 0.000 0.443 96 L N 5.205 126.511 121.223 0.138 0.000 2.265 96 L HA 0.456 4.779 4.340 -0.027 0.000 0.288 96 L C -0.191 176.781 176.870 0.170 0.000 1.058 96 L CA 0.239 55.159 54.840 0.134 0.000 0.809 96 L CB 0.540 42.659 42.059 0.101 0.000 1.179 96 L HN 0.756 nan 8.230 nan 0.000 0.429 97 H N 5.134 124.225 119.070 0.035 0.000 2.673 97 H HA 0.496 5.035 4.556 -0.028 0.000 0.293 97 H C -1.367 173.899 175.328 -0.103 0.000 1.065 97 H CA -0.953 55.097 56.048 0.002 0.000 1.236 97 H CB 1.095 30.877 29.762 0.034 0.000 1.389 97 H HN 0.519 nan 8.280 nan 0.000 0.481 98 V N 6.290 126.153 119.914 -0.085 0.000 2.407 98 V HA 0.177 4.281 4.120 -0.027 0.000 0.278 98 V C -0.073 175.872 176.094 -0.250 0.000 1.037 98 V CA -0.612 61.565 62.300 -0.205 0.000 0.900 98 V CB 1.324 33.100 31.823 -0.079 0.000 0.983 98 V HN 0.520 nan 8.190 nan 0.000 0.459 99 V N 4.589 124.275 119.914 -0.380 0.000 2.525 99 V HA 0.825 4.929 4.120 -0.027 0.000 0.299 99 V C 0.403 176.436 176.094 -0.101 0.000 1.034 99 V CA -0.091 62.060 62.300 -0.248 0.000 0.863 99 V CB 1.508 33.097 31.823 -0.389 0.000 0.999 99 V HN 0.979 nan 8.190 nan 0.000 0.423 100 G N 5.393 114.212 108.800 0.032 0.000 2.361 100 G HA2 0.507 4.451 3.960 -0.027 0.000 0.260 100 G HA3 0.507 4.451 3.960 -0.027 0.000 0.260 100 G C -0.609 174.375 174.900 0.141 0.000 1.261 100 G CA -0.027 45.129 45.100 0.094 0.000 0.897 100 G HN 0.993 nan 8.290 nan 0.000 0.499 101 V N 4.474 124.388 119.914 -0.001 0.000 3.074 101 V HA 0.403 4.507 4.120 -0.027 0.000 0.314 101 V C -2.091 173.669 176.094 -0.558 0.000 1.117 101 V CA -1.756 60.396 62.300 -0.247 0.000 1.014 101 V CB 2.759 34.531 31.823 -0.086 0.000 1.057 101 V HN 0.550 nan 8.190 nan 0.000 0.438 102 P HA -0.007 nan 4.420 nan 0.000 0.263 102 P C 0.218 177.238 177.300 -0.466 0.000 1.175 102 P CA 0.316 62.808 63.100 -1.014 0.000 0.761 102 P CB 0.250 31.302 31.700 -1.080 0.000 0.794 103 S N 4.444 120.002 115.700 -0.238 0.000 3.282 103 S HA -0.092 4.362 4.470 -0.027 0.000 0.247 103 S C 0.973 175.477 174.600 -0.159 0.000 1.018 103 S CA 0.283 58.412 58.200 -0.118 0.000 1.207 103 S CB -1.434 61.751 63.200 -0.025 0.000 1.071 103 S HN 0.469 nan 8.310 nan 0.000 0.496 104 I N -0.315 120.127 120.570 -0.213 0.000 6.133 104 I HA -0.253 3.900 4.170 -0.027 0.000 0.126 104 I C 0.749 176.727 176.117 -0.232 0.000 1.819 104 I CA 0.780 61.961 61.300 -0.199 0.000 2.061 104 I CB -2.966 34.958 38.000 -0.127 0.000 3.437 104 I HN 0.703 nan 8.210 nan 0.000 0.177 115 H N 0.438 119.665 119.070 0.262 0.000 3.007 115 H HA -0.116 4.423 4.556 -0.028 0.000 0.267 115 H C -0.453 175.028 175.328 0.256 0.000 1.266 115 H CA 1.120 57.314 56.048 0.244 0.000 1.116 115 H CB -1.902 28.072 29.762 0.352 0.000 1.282 115 H HN 0.628 nan 8.280 nan 0.000 0.372 116 T N -2.489 112.237 114.554 0.286 0.000 2.906 116 T HA 0.531 4.865 4.350 -0.027 0.000 0.295 116 T C 0.804 175.573 174.700 0.115 0.000 1.075 116 T CA -1.173 61.053 62.100 0.211 0.000 1.005 116 T CB 1.948 70.865 68.868 0.081 0.000 1.136 116 T HN -0.049 nan 8.240 nan 0.000 0.498 117 L N 1.843 123.103 121.223 0.062 0.000 2.713 117 L HA 0.327 4.650 4.340 -0.027 0.000 0.245 117 L C 2.037 178.901 176.870 -0.010 0.000 1.169 117 L CA 1.069 55.925 54.840 0.027 0.000 0.962 117 L CB -1.533 40.520 42.059 -0.010 0.000 1.161 117 L HN 1.265 nan 8.230 nan 0.000 0.427 118 G N 0.588 109.382 108.800 -0.011 0.000 2.175 118 G HA2 -0.410 3.534 3.960 -0.027 0.000 0.265 118 G HA3 -0.410 3.534 3.960 -0.027 0.000 0.265 118 G C 1.039 175.926 174.900 -0.022 0.000 0.979 118 G CA 0.801 45.894 45.100 -0.011 0.000 0.663 118 G HN 0.583 nan 8.290 nan 0.000 0.533 119 N N -0.213 118.454 118.700 -0.055 0.000 2.205 119 N HA 0.357 5.081 4.740 -0.027 0.000 0.201 119 N C 1.623 177.098 175.510 -0.060 0.000 1.128 119 N CA 1.028 54.045 53.050 -0.056 0.000 0.867 119 N CB -0.117 38.332 38.487 -0.063 0.000 0.996 119 N HN 1.526 nan 8.380 nan 0.000 0.503 120 G N 0.355 109.101 108.800 -0.090 0.000 2.176 120 G HA2 -0.271 3.672 3.960 -0.027 0.000 0.253 120 G HA3 -0.271 3.672 3.960 -0.027 0.000 0.253 120 G C -0.613 174.227 174.900 -0.100 0.000 0.979 120 G CA 0.271 45.349 45.100 -0.037 0.000 0.641 120 G HN 0.613 nan 8.290 nan 0.000 0.530 121 D N -0.310 119.936 120.400 -0.256 0.000 2.380 121 D HA 0.562 5.186 4.640 -0.027 0.000 0.230 121 D C 0.888 176.934 176.300 -0.423 0.000 1.154 121 D CA -0.856 53.008 54.000 -0.225 0.000 0.859 121 D CB -0.078 40.620 40.800 -0.171 0.000 1.045 121 D HN 0.031 nan 8.370 nan 0.000 0.495 122 F N 1.172 121.124 119.950 0.002 0.000 2.789 122 F HA 0.049 4.559 4.527 -0.029 0.000 0.300 122 F C 2.348 178.206 175.800 0.096 0.000 1.132 122 F CA 0.539 58.592 58.000 0.088 0.000 1.404 122 F CB 0.275 39.280 39.000 0.007 0.000 1.114 122 F HN 0.417 nan 8.300 nan 0.000 0.584 123 T N -4.638 109.970 114.554 0.089 0.000 3.023 123 T HA 0.053 4.387 4.350 -0.027 0.000 0.253 123 T C 1.941 176.585 174.700 -0.094 0.000 1.038 123 T CA 0.672 62.811 62.100 0.064 0.000 0.962 123 T CB -0.469 68.421 68.868 0.036 0.000 1.018 123 T HN 0.067 nan 8.240 nan 0.000 0.521 124 V N 1.481 121.219 119.914 -0.294 0.000 2.252 124 V HA -0.182 3.922 4.120 -0.027 0.000 0.249 124 V C 2.054 178.026 176.094 -0.203 0.000 1.056 124 V CA 2.111 64.199 62.300 -0.353 0.000 1.022 124 V CB -0.894 30.627 31.823 -0.504 0.000 0.641 124 V HN 0.482 nan 8.190 nan 0.000 0.445 125 F N 0.521 120.469 119.950 -0.003 0.000 2.102 125 F HA -0.061 4.453 4.527 -0.023 0.000 0.298 125 F C 2.493 178.278 175.800 -0.024 0.000 1.105 125 F CA 1.812 59.809 58.000 -0.004 0.000 1.239 125 F CB -1.869 37.116 39.000 -0.025 0.000 0.991 125 F HN 0.394 nan 8.300 nan 0.000 0.474 126 H N 1.378 120.448 119.070 0.001 0.000 2.289 126 H HA -0.136 4.412 4.556 -0.014 0.000 0.296 126 H C 2.214 177.330 175.328 -0.352 0.000 1.091 126 H CA 2.145 57.970 56.048 -0.372 0.000 1.274 126 H CB -0.330 29.369 29.762 -0.105 0.000 1.364 126 H HN 0.164 nan 8.280 nan 0.000 0.490 127 R N -0.746 119.622 120.500 -0.219 0.000 2.115 127 R HA -0.067 4.256 4.340 -0.027 0.000 0.230 127 R C 2.735 178.952 176.300 -0.138 0.000 1.111 127 R CA 1.432 57.385 56.100 -0.245 0.000 0.976 127 R CB -0.166 30.018 30.300 -0.194 0.000 0.870 127 R HN 0.380 nan 8.270 nan 0.000 0.445 128 M N 0.026 119.586 119.600 -0.067 0.000 2.132 128 M HA -0.120 4.344 4.480 -0.027 0.000 0.263 128 M C 2.130 178.406 176.300 -0.040 0.000 1.065 128 M CA 1.556 56.843 55.300 -0.022 0.000 1.122 128 M CB 0.031 32.668 32.600 0.061 0.000 1.365 128 M HN 0.038 nan 8.290 nan 0.000 0.411 129 S N 0.457 116.122 115.700 -0.059 0.000 2.406 129 S HA -0.021 4.433 4.470 -0.027 0.000 0.228 129 S C 2.022 176.570 174.600 -0.086 0.000 1.020 129 S CA 1.029 59.201 58.200 -0.047 0.000 0.965 129 S CB -0.357 62.822 63.200 -0.035 0.000 0.798 129 S HN 0.553 nan 8.310 nan 0.000 0.488 130 A N 2.533 125.279 122.820 -0.124 0.000 2.093 130 A HA -0.191 4.113 4.320 -0.027 0.000 0.222 130 A C 1.847 179.365 177.584 -0.110 0.000 1.162 130 A CA 1.443 53.420 52.037 -0.099 0.000 0.655 130 A CB -0.532 18.383 19.000 -0.143 0.000 0.805 130 A HN 0.470 nan 8.150 nan 0.000 0.461 131 N N -0.179 118.440 118.700 -0.134 0.000 2.354 131 N HA -0.016 4.708 4.740 -0.027 0.000 0.179 131 N C 1.252 176.560 175.510 -0.337 0.000 1.021 131 N CA 1.566 54.511 53.050 -0.176 0.000 0.887 131 N CB -0.082 38.329 38.487 -0.126 0.000 0.974 131 N HN 0.802 nan 8.380 nan 0.000 0.437 132 I N -2.215 118.149 120.570 -0.344 0.000 3.762 132 I HA 0.358 4.512 4.170 -0.027 0.000 0.333 132 I C -0.422 175.447 176.117 -0.414 0.000 1.566 132 I CA -0.374 60.565 61.300 -0.601 0.000 1.129 132 I CB 0.375 38.178 38.000 -0.330 0.000 1.218 132 I HN -0.281 nan 8.210 nan 0.000 0.456 133 S N 0.354 115.934 115.700 -0.201 0.000 2.634 133 S HA 0.367 4.821 4.470 -0.027 0.000 0.296 133 S C 0.519 175.237 174.600 0.198 0.000 1.104 133 S CA -0.473 57.784 58.200 0.095 0.000 0.920 133 S CB 2.589 65.861 63.200 0.120 0.000 1.111 133 S HN 0.306 nan 8.310 nan 0.000 0.493 134 E N 0.725 121.070 120.200 0.242 0.000 2.140 134 E HA 0.136 4.469 4.350 -0.027 0.000 0.191 134 E C 0.360 177.048 176.600 0.146 0.000 0.973 134 E CA 0.920 57.445 56.400 0.208 0.000 0.829 134 E CB 0.363 30.163 29.700 0.166 0.000 0.781 134 E HN 0.550 nan 8.360 nan 0.000 0.466 135 T N -1.229 113.410 114.554 0.142 0.000 2.840 135 T HA 0.452 4.786 4.350 -0.027 0.000 0.317 135 T C -1.567 173.228 174.700 0.158 0.000 1.401 135 T CA -0.245 61.932 62.100 0.128 0.000 1.028 135 T CB 1.292 70.228 68.868 0.113 0.000 1.317 135 T HN 0.133 nan 8.240 nan 0.000 0.495 136 T N 0.126 114.782 114.554 0.171 0.000 2.893 136 T HA 0.880 5.213 4.350 -0.027 0.000 0.291 136 T C -0.894 173.925 174.700 0.198 0.000 1.028 136 T CA -0.655 61.590 62.100 0.242 0.000 0.995 136 T CB 1.684 70.760 68.868 0.347 0.000 1.051 136 T HN 0.942 nan 8.240 nan 0.000 0.470 137 A N 2.962 125.881 122.820 0.164 0.000 2.393 137 A HA 0.797 5.101 4.320 -0.027 0.000 0.306 137 A C -0.683 176.925 177.584 0.040 0.000 1.050 137 A CA -0.951 51.143 52.037 0.095 0.000 0.724 137 A CB 1.703 20.730 19.000 0.046 0.000 1.248 137 A HN 1.003 nan 8.150 nan 0.000 0.424 138 M N 4.119 123.745 119.600 0.043 0.000 2.006 138 M HA 0.493 4.957 4.480 -0.027 0.000 0.314 138 M C -1.526 174.778 176.300 0.008 0.000 0.926 138 M CA -0.376 54.924 55.300 -0.001 0.000 0.906 138 M CB 0.045 32.678 32.600 0.056 0.000 1.422 138 M HN 0.530 nan 8.290 nan 0.000 0.397 139 I N 4.595 125.151 120.570 -0.024 0.000 2.517 139 I HA 0.180 4.334 4.170 -0.027 0.000 0.285 139 I C 0.648 176.744 176.117 -0.036 0.000 1.106 139 I CA 0.066 61.347 61.300 -0.031 0.000 1.402 139 I CB 0.682 38.652 38.000 -0.050 0.000 1.399 139 I HN 0.849 nan 8.210 nan 0.000 0.535 140 T N -0.606 113.930 114.554 -0.029 0.000 3.043 140 T HA 0.165 4.498 4.350 -0.027 0.000 0.272 140 T C -0.072 174.605 174.700 -0.040 0.000 0.990 140 T CA -0.357 61.722 62.100 -0.036 0.000 0.897 140 T CB 0.143 68.997 68.868 -0.024 0.000 1.111 140 T HN 0.550 nan 8.240 nan 0.000 0.529 141 D N 0.689 121.064 120.400 -0.041 0.000 2.879 141 D HA 0.418 5.041 4.640 -0.027 0.000 0.236 141 D C 0.858 177.125 176.300 -0.056 0.000 1.171 141 D CA -0.990 52.984 54.000 -0.044 0.000 0.868 141 D CB 1.432 42.211 40.800 -0.035 0.000 1.598 141 D HN -0.020 nan 8.370 nan 0.000 0.497 142 I N 2.396 122.930 120.570 -0.060 0.000 2.439 142 I HA 0.120 4.274 4.170 -0.027 0.000 0.251 142 I C 2.202 178.268 176.117 -0.086 0.000 1.139 142 I CA 1.141 62.394 61.300 -0.078 0.000 1.438 142 I CB -1.724 36.230 38.000 -0.077 0.000 1.085 142 I HN 0.391 nan 8.210 nan 0.000 0.427 143 A N 0.071 122.851 122.820 -0.066 0.000 2.032 143 A HA -0.176 4.127 4.320 -0.027 0.000 0.221 143 A C 2.380 179.925 177.584 -0.065 0.000 1.165 143 A CA 2.461 54.461 52.037 -0.061 0.000 0.645 143 A CB -1.247 17.727 19.000 -0.043 0.000 0.807 143 A HN 0.511 nan 8.150 nan 0.000 0.453 144 T N -1.398 113.118 114.554 -0.063 0.000 3.015 144 T HA 0.351 4.684 4.350 -0.027 0.000 0.250 144 T C 2.113 176.768 174.700 -0.076 0.000 1.057 144 T CA 0.689 62.755 62.100 -0.056 0.000 1.066 144 T CB -0.089 68.757 68.868 -0.037 0.000 0.959 144 T HN 0.553 nan 8.240 nan 0.000 0.488 145 A N 2.767 125.527 122.820 -0.101 0.000 1.869 145 A HA -0.089 4.214 4.320 -0.027 0.000 0.218 145 A C -0.033 177.447 177.584 -0.173 0.000 1.203 145 A CA 1.722 53.683 52.037 -0.127 0.000 0.638 145 A CB -1.748 17.175 19.000 -0.128 0.000 0.831 145 A HN 0.347 nan 8.150 nan 0.000 0.450 146 P HA -0.231 nan 4.420 nan 0.000 0.214 146 P C 1.835 179.071 177.300 -0.106 0.000 1.169 146 P CA 2.343 65.200 63.100 -0.406 0.000 0.908 146 P CB -0.243 31.099 31.700 -0.597 0.000 0.791 147 A N -0.124 122.656 122.820 -0.067 0.000 1.873 147 A HA -0.282 4.022 4.320 -0.027 0.000 0.218 147 A C 2.269 179.858 177.584 0.009 0.000 1.193 147 A CA 1.988 54.021 52.037 -0.007 0.000 0.629 147 A CB -1.497 17.494 19.000 -0.014 0.000 0.826 147 A HN 0.096 nan 8.150 nan 0.000 0.447 148 E N -0.229 119.966 120.200 -0.007 0.000 2.114 148 E HA -0.205 4.129 4.350 -0.027 0.000 0.199 148 E C 1.985 178.596 176.600 0.018 0.000 1.008 148 E CA 1.347 57.749 56.400 0.004 0.000 0.810 148 E CB -0.406 29.285 29.700 -0.014 0.000 0.739 148 E HN 0.736 nan 8.360 nan 0.000 0.456 149 I N 0.837 121.419 120.570 0.019 0.000 2.233 149 I HA -0.239 3.915 4.170 -0.027 0.000 0.243 149 I C 1.871 178.031 176.117 0.072 0.000 1.093 149 I CA 1.005 62.331 61.300 0.043 0.000 1.380 149 I CB -0.198 37.851 38.000 0.082 0.000 1.067 149 I HN -0.026 nan 8.210 nan 0.000 0.413 150 D N 0.570 121.028 120.400 0.097 0.000 2.104 150 D HA -0.229 4.395 4.640 -0.027 0.000 0.194 150 D C 2.154 178.492 176.300 0.062 0.000 0.994 150 D CA 1.189 55.240 54.000 0.086 0.000 0.830 150 D CB -0.274 40.579 40.800 0.088 0.000 0.959 150 D HN 0.197 nan 8.370 nan 0.000 0.452 151 R N 0.320 120.854 120.500 0.058 0.000 2.083 151 R HA -0.148 4.176 4.340 -0.027 0.000 0.237 151 R C 2.093 178.434 176.300 0.069 0.000 1.137 151 R CA 1.928 58.064 56.100 0.060 0.000 0.951 151 R CB -0.612 29.719 30.300 0.052 0.000 0.851 151 R HN 0.225 nan 8.270 nan 0.000 0.434 152 C N 0.456 119.794 119.300 0.063 0.000 2.425 152 C HA -0.017 4.427 4.460 -0.027 0.000 0.277 152 C C 2.594 177.633 174.990 0.082 0.000 1.280 152 C CA 0.388 59.449 59.018 0.072 0.000 1.744 152 C CB -0.880 26.895 27.740 0.058 0.000 1.989 152 C HN 0.537 nan 8.230 nan 0.000 0.491 153 I N 0.647 121.259 120.570 0.069 0.000 2.179 153 I HA -0.210 3.943 4.170 -0.027 0.000 0.242 153 I C 2.906 179.089 176.117 0.110 0.000 1.088 153 I CA 1.502 62.846 61.300 0.073 0.000 1.357 153 I CB -0.613 37.404 38.000 0.029 0.000 1.051 153 I HN 0.325 nan 8.210 nan 0.000 0.409 154 R N 0.741 121.299 120.500 0.096 0.000 2.097 154 R HA -0.193 4.131 4.340 -0.027 0.000 0.236 154 R C 2.358 178.760 176.300 0.170 0.000 1.135 154 R CA 2.587 58.761 56.100 0.125 0.000 0.934 154 R CB -0.489 29.868 30.300 0.095 0.000 0.846 154 R HN 0.272 nan 8.270 nan 0.000 0.431 155 T N 0.201 114.837 114.554 0.137 0.000 2.635 155 T HA -0.174 4.160 4.350 -0.027 0.000 0.267 155 T C 1.840 176.625 174.700 0.142 0.000 1.040 155 T CA 2.143 64.322 62.100 0.133 0.000 1.156 155 T CB -0.630 68.307 68.868 0.115 0.000 0.863 155 T HN 0.427 nan 8.240 nan 0.000 0.430 156 T N 0.830 115.472 114.554 0.146 0.000 2.635 156 T HA -0.159 4.174 4.350 -0.027 0.000 0.267 156 T C 1.645 176.431 174.700 0.143 0.000 1.040 156 T CA 1.619 63.803 62.100 0.140 0.000 1.156 156 T CB -0.609 68.348 68.868 0.148 0.000 0.863 156 T HN 0.426 nan 8.240 nan 0.000 0.430 157 Y N 1.189 121.524 120.300 0.058 0.000 2.114 157 Y HA -0.126 4.407 4.550 -0.028 0.000 0.284 157 Y C 2.441 178.370 175.900 0.048 0.000 1.143 157 Y CA 0.866 58.993 58.100 0.046 0.000 1.135 157 Y CB -0.612 37.874 38.460 0.043 0.000 0.980 157 Y HN -0.045 nan 8.280 nan 0.000 0.499 158 V N -0.422 119.588 119.914 0.160 0.000 2.270 158 V HA -0.287 3.817 4.120 -0.027 0.000 0.245 158 V C 2.536 178.694 176.094 0.107 0.000 1.043 158 V CA 2.579 64.947 62.300 0.113 0.000 1.014 158 V CB -1.041 30.887 31.823 0.174 0.000 0.645 158 V HN 0.688 nan 8.190 nan 0.000 0.447 159 T N -3.491 111.142 114.554 0.131 0.000 3.043 159 T HA -0.089 4.244 4.350 -0.027 0.000 0.263 159 T C 0.874 175.688 174.700 0.190 0.000 1.094 159 T CA 0.321 62.536 62.100 0.191 0.000 1.127 159 T CB -0.100 68.855 68.868 0.145 0.000 0.905 159 T HN 0.413 nan 8.240 nan 0.000 0.490 160 Q N 0.571 120.389 119.800 0.030 0.000 2.457 160 Q HA -0.108 4.216 4.340 -0.027 0.000 0.333 160 Q C -0.602 175.389 176.000 -0.016 0.000 1.448 160 Q CA 0.747 56.510 55.803 -0.067 0.000 0.891 160 Q CB -1.070 27.488 28.738 -0.299 0.000 1.142 160 Q HN 0.631 nan 8.270 nan 0.000 0.375 161 R N -0.287 120.208 120.500 -0.007 0.000 2.707 161 R HA 0.574 4.898 4.340 -0.027 0.000 0.272 161 R C -2.560 173.780 176.300 0.067 0.000 1.011 161 R CA -1.886 54.193 56.100 -0.035 0.000 0.893 161 R CB 1.375 31.647 30.300 -0.046 0.000 1.233 161 R HN -0.073 nan 8.270 nan 0.000 0.464 162 P HA 0.256 nan 4.420 nan 0.000 0.275 162 P C -1.007 176.400 177.300 0.178 0.000 1.228 162 P CA -0.401 62.787 63.100 0.147 0.000 0.786 162 P CB 0.833 32.619 31.700 0.143 0.000 0.927 163 V N 2.465 122.488 119.914 0.181 0.000 2.876 163 V HA 0.342 4.446 4.120 -0.027 0.000 0.312 163 V C -1.128 175.096 176.094 0.218 0.000 1.085 163 V CA -0.687 61.724 62.300 0.185 0.000 0.945 163 V CB 2.008 33.916 31.823 0.142 0.000 1.017 163 V HN 0.414 nan 8.190 nan 0.000 0.428 164 Y N 4.258 124.603 120.300 0.074 0.000 2.331 164 Y HA 0.698 5.238 4.550 -0.017 0.000 0.338 164 Y C -0.665 175.207 175.900 -0.047 0.000 0.992 164 Y CA -0.628 57.478 58.100 0.009 0.000 1.121 164 Y CB 1.416 39.886 38.460 0.018 0.000 1.184 164 Y HN 0.575 nan 8.280 nan 0.000 0.469 165 L N 6.842 127.891 121.223 -0.290 0.000 2.388 165 L HA 0.583 4.907 4.340 -0.027 0.000 0.267 165 L C -0.155 176.458 176.870 -0.429 0.000 0.995 165 L CA -0.596 54.109 54.840 -0.225 0.000 0.864 165 L CB 0.558 42.539 42.059 -0.130 0.000 1.216 165 L HN 0.922 nan 8.230 nan 0.000 0.430 166 G N 4.312 112.888 108.800 -0.373 0.000 2.339 166 G HA2 0.482 4.426 3.960 -0.027 0.000 0.287 166 G HA3 0.482 4.426 3.960 -0.027 0.000 0.287 166 G C -1.234 173.576 174.900 -0.150 0.000 1.163 166 G CA -0.308 44.619 45.100 -0.289 0.000 0.872 166 G HN 0.384 nan 8.290 nan 0.000 0.464 167 L N 4.804 125.951 121.223 -0.127 0.000 2.427 167 L HA 0.446 4.769 4.340 -0.027 0.000 0.264 167 L C -2.340 174.491 176.870 -0.065 0.000 0.989 167 L CA -2.022 52.765 54.840 -0.089 0.000 0.865 167 L CB 2.217 44.220 42.059 -0.094 0.000 1.209 167 L HN 0.264 nan 8.230 nan 0.000 0.430 168 P HA 0.064 nan 4.420 nan 0.000 0.266 168 P C 0.256 177.533 177.300 -0.039 0.000 1.193 168 P CA 0.321 63.372 63.100 -0.082 0.000 0.770 168 P CB 0.842 32.482 31.700 -0.099 0.000 0.836 169 A N 3.947 126.761 122.820 -0.009 0.000 1.933 169 A HA -0.218 4.085 4.320 -0.027 0.000 0.218 169 A C 1.929 179.520 177.584 0.012 0.000 1.175 169 A CA 1.856 53.918 52.037 0.042 0.000 0.628 169 A CB -1.228 17.851 19.000 0.130 0.000 0.814 169 A HN 0.721 nan 8.150 nan 0.000 0.444 170 N N 1.037 119.731 118.700 -0.011 0.000 2.084 170 N HA -0.151 4.573 4.740 -0.027 0.000 0.190 170 N C 1.559 177.055 175.510 -0.023 0.000 1.030 170 N CA 1.883 54.921 53.050 -0.019 0.000 0.849 170 N CB -0.919 37.549 38.487 -0.032 0.000 1.012 170 N HN 0.478 nan 8.380 nan 0.000 0.423 171 L N 1.421 122.624 121.223 -0.034 0.000 2.353 171 L HA -0.044 4.280 4.340 -0.027 0.000 0.220 171 L C 2.424 179.275 176.870 -0.033 0.000 1.133 171 L CA 0.899 55.716 54.840 -0.038 0.000 0.798 171 L CB -0.624 41.404 42.059 -0.051 0.000 0.922 171 L HN 0.166 nan 8.230 nan 0.000 0.445 172 V N -3.910 115.991 119.914 -0.021 0.000 2.913 172 V HA -0.139 3.964 4.120 -0.027 0.000 0.260 172 V C 1.487 177.582 176.094 0.001 0.000 1.098 172 V CA 1.607 63.900 62.300 -0.012 0.000 1.121 172 V CB -0.394 31.429 31.823 -0.001 0.000 0.714 172 V HN 0.295 nan 8.190 nan 0.000 0.487 173 D N 0.168 120.566 120.400 -0.002 0.000 2.367 173 D HA 0.304 4.928 4.640 -0.027 0.000 0.207 173 D C 0.749 177.046 176.300 -0.004 0.000 1.034 173 D CA 0.206 54.207 54.000 0.002 0.000 0.861 173 D CB 0.311 41.112 40.800 0.002 0.000 0.943 173 D HN 0.450 nan 8.370 nan 0.000 0.515 174 L N 1.318 122.533 121.223 -0.014 0.000 2.375 174 L HA 0.242 4.565 4.340 -0.027 0.000 0.271 174 L C 0.782 177.639 176.870 -0.021 0.000 1.107 174 L CA -0.531 54.297 54.840 -0.021 0.000 0.806 174 L CB 0.821 42.861 42.059 -0.033 0.000 1.146 174 L HN -0.225 nan 8.230 nan 0.000 0.447 175 N N 1.393 120.083 118.700 -0.018 0.000 2.530 175 N HA 0.333 5.056 4.740 -0.027 0.000 0.273 175 N C -0.847 174.643 175.510 -0.032 0.000 1.173 175 N CA -0.148 52.894 53.050 -0.013 0.000 0.967 175 N CB 2.379 40.864 38.487 -0.004 0.000 1.109 175 N HN 0.193 nan 8.380 nan 0.000 0.453 176 V N 3.064 122.962 119.914 -0.026 0.000 2.925 176 V HA 0.329 4.433 4.120 -0.027 0.000 0.311 176 V C -2.307 173.783 176.094 -0.006 0.000 1.104 176 V CA -1.978 60.287 62.300 -0.058 0.000 0.954 176 V CB 2.582 34.326 31.823 -0.131 0.000 1.022 176 V HN 0.538 nan 8.190 nan 0.000 0.427 177 P HA 0.102 nan 4.420 nan 0.000 0.262 177 P C 0.376 177.718 177.300 0.070 0.000 1.199 177 P CA 0.212 63.325 63.100 0.022 0.000 0.763 177 P CB 0.758 32.463 31.700 0.008 0.000 0.790 178 A N 4.948 127.812 122.820 0.072 0.000 2.019 178 A HA -0.197 4.107 4.320 -0.027 0.000 0.219 178 A C 2.100 179.731 177.584 0.078 0.000 1.164 178 A CA 1.208 53.298 52.037 0.087 0.000 0.644 178 A CB -0.888 18.144 19.000 0.053 0.000 0.805 178 A HN 0.476 nan 8.150 nan 0.000 0.449 179 K N -0.087 120.349 120.400 0.060 0.000 2.113 179 K HA -0.152 4.152 4.320 -0.027 0.000 0.208 179 K C 1.759 178.398 176.600 0.064 0.000 1.047 179 K CA 1.446 57.761 56.287 0.047 0.000 0.928 179 K CB -0.376 32.145 32.500 0.035 0.000 0.716 179 K HN 0.552 nan 8.250 nan 0.000 0.446 180 L N 0.849 122.136 121.223 0.105 0.000 2.081 180 L HA -0.232 4.091 4.340 -0.027 0.000 0.212 180 L C 2.290 179.245 176.870 0.141 0.000 1.080 180 L CA 1.127 56.058 54.840 0.151 0.000 0.754 180 L CB -0.393 41.811 42.059 0.243 0.000 0.893 180 L HN 0.219 nan 8.230 nan 0.000 0.433 181 L N -0.252 121.032 121.223 0.101 0.000 2.275 181 L HA -0.186 4.137 4.340 -0.027 0.000 0.215 181 L C 2.676 179.537 176.870 -0.015 0.000 1.119 181 L CA 0.869 55.695 54.840 -0.022 0.000 0.790 181 L CB -0.530 41.476 42.059 -0.088 0.000 0.919 181 L HN 0.476 nan 8.230 nan 0.000 0.443 182 Q N -0.259 119.547 119.800 0.010 0.000 2.291 182 Q HA -0.074 4.250 4.340 -0.027 0.000 0.205 182 Q C 0.165 176.167 176.000 0.003 0.000 0.970 182 Q CA 0.966 56.772 55.803 0.004 0.000 0.876 182 Q CB -0.276 28.468 28.738 0.010 0.000 0.935 182 Q HN 0.232 nan 8.270 nan 0.000 0.455 183 T N 4.273 118.834 114.554 0.011 0.000 2.753 183 T HA 0.366 4.700 4.350 -0.027 0.000 0.297 183 T C -2.408 172.294 174.700 0.004 0.000 0.981 183 T CA -1.524 60.584 62.100 0.012 0.000 0.956 183 T CB 1.385 70.268 68.868 0.025 0.000 0.936 183 T HN 0.236 nan 8.240 nan 0.000 0.463 184 P HA 0.289 nan 4.420 nan 0.000 0.272 184 P C -0.305 176.987 177.300 -0.013 0.000 1.240 184 P CA -0.562 62.524 63.100 -0.024 0.000 0.791 184 P CB 0.990 32.673 31.700 -0.028 0.000 0.978 185 I N 1.062 121.614 120.570 -0.029 0.000 2.471 185 I HA 0.043 4.196 4.170 -0.027 0.000 0.286 185 I C 0.956 177.066 176.117 -0.012 0.000 1.079 185 I CA -0.044 61.248 61.300 -0.014 0.000 1.398 185 I CB 0.078 38.060 38.000 -0.030 0.000 1.403 185 I HN 0.376 nan 8.210 nan 0.000 0.530 186 D N 7.083 127.492 120.400 0.014 0.000 2.339 186 D HA 0.116 4.739 4.640 -0.027 0.000 0.256 186 D C 0.458 176.784 176.300 0.043 0.000 1.214 186 D CA -0.190 53.826 54.000 0.027 0.000 0.877 186 D CB 0.750 41.573 40.800 0.038 0.000 1.111 186 D HN 0.304 nan 8.370 nan 0.000 0.478 187 M N 2.467 122.096 119.600 0.048 0.000 2.475 187 M HA 0.074 4.538 4.480 -0.027 0.000 0.261 187 M C 0.279 176.648 176.300 0.116 0.000 1.177 187 M CA -0.137 55.223 55.300 0.099 0.000 0.979 187 M CB -0.955 31.711 32.600 0.110 0.000 1.482 187 M HN 0.411 nan 8.290 nan 0.000 0.484 188 S N 0.867 116.624 115.700 0.095 0.000 2.513 188 S HA 0.576 5.030 4.470 -0.027 0.000 0.276 188 S C 0.046 174.725 174.600 0.132 0.000 1.254 188 S CA -0.700 57.563 58.200 0.104 0.000 1.053 188 S CB 1.321 64.582 63.200 0.102 0.000 0.958 188 S HN 0.387 nan 8.310 nan 0.000 0.491 189 L N 2.671 123.990 121.223 0.161 0.000 2.464 189 L HA 0.322 4.645 4.340 -0.027 0.000 0.264 189 L C 0.878 177.932 176.870 0.307 0.000 1.199 189 L CA -0.691 54.289 54.840 0.233 0.000 0.818 189 L CB 0.367 42.559 42.059 0.222 0.000 1.102 189 L HN 0.616 nan 8.230 nan 0.000 0.473 190 K N 2.818 123.363 120.400 0.243 0.000 2.298 190 K HA 0.251 4.555 4.320 -0.027 0.000 0.280 190 K C -2.117 174.528 176.600 0.075 0.000 1.032 190 K CA -1.605 54.765 56.287 0.138 0.000 0.958 190 K CB 0.583 33.141 32.500 0.096 0.000 0.978 190 K HN 0.295 nan 8.250 nan 0.000 0.472 191 P HA 0.029 nan 4.420 nan 0.000 0.271 191 P C -0.389 176.669 177.300 -0.403 0.000 1.244 191 P CA -0.303 62.440 63.100 -0.597 0.000 0.793 191 P CB 0.609 32.086 31.700 -0.372 0.000 0.984 192 N N 0.018 118.429 118.700 -0.481 0.000 2.413 192 N HA 0.115 4.839 4.740 -0.027 0.000 0.266 192 N C -0.249 175.182 175.510 -0.131 0.000 1.238 192 N CA -0.255 52.681 53.050 -0.190 0.000 0.972 192 N CB -0.197 38.220 38.487 -0.117 0.000 1.210 192 N HN 0.462 nan 8.380 nan 0.000 0.547 193 D N -0.242 120.125 120.400 -0.056 0.000 2.450 193 D HA 0.166 4.790 4.640 -0.027 0.000 0.247 193 D C 0.755 177.027 176.300 -0.045 0.000 1.162 193 D CA -0.087 53.894 54.000 -0.031 0.000 0.879 193 D CB 0.728 41.533 40.800 0.007 0.000 1.163 193 D HN 0.503 nan 8.370 nan 0.000 0.472 194 A N 4.605 127.396 122.820 -0.047 0.000 1.858 194 A HA -0.174 4.130 4.320 -0.027 0.000 0.216 194 A C 1.936 179.502 177.584 -0.029 0.000 1.190 194 A CA 1.058 53.066 52.037 -0.048 0.000 0.617 194 A CB -0.442 18.532 19.000 -0.044 0.000 0.827 194 A HN 0.650 nan 8.150 nan 0.000 0.443 195 E N 0.739 120.932 120.200 -0.012 0.000 2.077 195 E HA -0.128 4.206 4.350 -0.027 0.000 0.193 195 E C 2.427 179.035 176.600 0.013 0.000 0.989 195 E CA 1.665 58.067 56.400 0.003 0.000 0.800 195 E CB -0.671 29.036 29.700 0.013 0.000 0.746 195 E HN 0.711 nan 8.360 nan 0.000 0.452 196 S N 1.027 116.744 115.700 0.029 0.000 2.406 196 S HA -0.117 4.336 4.470 -0.027 0.000 0.228 196 S C 1.922 176.493 174.600 -0.047 0.000 1.020 196 S CA 1.020 59.252 58.200 0.053 0.000 0.965 196 S CB -0.140 63.145 63.200 0.141 0.000 0.798 196 S HN 0.312 nan 8.310 nan 0.000 0.488 197 E N 2.081 122.252 120.200 -0.048 0.000 2.150 197 E HA -0.205 4.128 4.350 -0.027 0.000 0.193 197 E C 2.019 178.565 176.600 -0.090 0.000 0.985 197 E CA 1.095 57.448 56.400 -0.077 0.000 0.814 197 E CB -0.112 29.557 29.700 -0.051 0.000 0.752 197 E HN 0.603 nan 8.360 nan 0.000 0.466 198 K N 0.820 121.183 120.400 -0.063 0.000 2.025 198 K HA -0.176 4.128 4.320 -0.027 0.000 0.207 198 K C 2.171 178.728 176.600 -0.073 0.000 1.049 198 K CA 1.435 57.690 56.287 -0.054 0.000 0.933 198 K CB -0.061 32.421 32.500 -0.030 0.000 0.714 198 K HN 0.025 nan 8.250 nan 0.000 0.438 199 E N 0.340 120.496 120.200 -0.074 0.000 2.049 199 E HA -0.200 4.133 4.350 -0.027 0.000 0.198 199 E C 2.001 178.478 176.600 -0.205 0.000 1.007 199 E CA 1.859 58.214 56.400 -0.075 0.000 0.809 199 E CB -0.099 29.605 29.700 0.007 0.000 0.749 199 E HN 0.210 nan 8.360 nan 0.000 0.450 200 V N 1.282 120.962 119.914 -0.390 0.000 2.343 200 V HA -0.265 3.839 4.120 -0.027 0.000 0.247 200 V C 2.400 178.328 176.094 -0.277 0.000 1.051 200 V CA 1.544 63.527 62.300 -0.528 0.000 1.036 200 V CB -0.379 31.056 31.823 -0.648 0.000 0.654 200 V HN 0.250 nan 8.190 nan 0.000 0.451 201 I N -0.041 120.425 120.570 -0.173 0.000 2.163 201 I HA -0.214 3.940 4.170 -0.027 0.000 0.240 201 I C 2.335 178.412 176.117 -0.067 0.000 1.081 201 I CA 1.679 62.925 61.300 -0.090 0.000 1.353 201 I CB -0.557 37.415 38.000 -0.047 0.000 1.054 201 I HN 0.311 nan 8.210 nan 0.000 0.407 202 D N 0.417 120.780 120.400 -0.062 0.000 2.149 202 D HA -0.153 4.471 4.640 -0.027 0.000 0.198 202 D C 2.172 178.451 176.300 -0.035 0.000 0.990 202 D CA 1.671 55.649 54.000 -0.036 0.000 0.839 202 D CB -0.359 40.426 40.800 -0.024 0.000 0.948 202 D HN 0.326 nan 8.370 nan 0.000 0.460 203 T N 1.104 115.623 114.554 -0.058 0.000 2.821 203 T HA -0.026 4.308 4.350 -0.027 0.000 0.267 203 T C 2.253 176.925 174.700 -0.046 0.000 1.046 203 T CA 0.427 62.500 62.100 -0.045 0.000 1.139 203 T CB -0.000 68.840 68.868 -0.046 0.000 0.871 203 T HN 0.170 nan 8.240 nan 0.000 0.454 204 I N 0.785 121.314 120.570 -0.069 0.000 2.163 204 I HA -0.108 4.045 4.170 -0.027 0.000 0.240 204 I C 2.372 178.490 176.117 0.001 0.000 1.081 204 I CA 1.127 62.401 61.300 -0.044 0.000 1.353 204 I CB -0.511 37.456 38.000 -0.056 0.000 1.054 204 I HN 0.163 nan 8.210 nan 0.000 0.407 205 L N 0.859 122.084 121.223 0.003 0.000 2.051 205 L HA -0.299 4.024 4.340 -0.027 0.000 0.214 205 L C 2.933 179.816 176.870 0.020 0.000 1.076 205 L CA 1.683 56.535 54.840 0.021 0.000 0.758 205 L CB -0.862 41.203 42.059 0.010 0.000 0.890 205 L HN 0.322 nan 8.230 nan 0.000 0.433 206 A N -0.173 122.652 122.820 0.007 0.000 1.892 206 A HA -0.232 4.072 4.320 -0.027 0.000 0.218 206 A C 2.119 179.708 177.584 0.008 0.000 1.188 206 A CA 1.710 53.752 52.037 0.008 0.000 0.631 206 A CB -0.623 18.378 19.000 0.001 0.000 0.822 206 A HN 0.275 nan 8.150 nan 0.000 0.447 207 L N -0.607 120.618 121.223 0.003 0.000 2.017 207 L HA -0.113 4.210 4.340 -0.027 0.000 0.208 207 L C 2.651 179.520 176.870 -0.003 0.000 1.073 207 L CA 1.386 56.223 54.840 -0.005 0.000 0.745 207 L CB -0.989 41.062 42.059 -0.013 0.000 0.894 207 L HN 0.202 nan 8.230 nan 0.000 0.432 208 V N -0.082 119.847 119.914 0.025 0.000 2.255 208 V HA -0.355 3.748 4.120 -0.027 0.000 0.247 208 V C 2.454 178.578 176.094 0.050 0.000 1.051 208 V CA 1.940 64.275 62.300 0.059 0.000 1.018 208 V CB -0.578 31.326 31.823 0.134 0.000 0.641 208 V HN 0.500 nan 8.190 nan 0.000 0.445 209 K N -0.258 120.171 120.400 0.048 0.000 2.211 209 K HA -0.198 4.106 4.320 -0.027 0.000 0.204 209 K C 1.420 178.041 176.600 0.035 0.000 1.047 209 K CA 1.718 58.034 56.287 0.048 0.000 0.935 209 K CB -0.241 32.282 32.500 0.039 0.000 0.728 209 K HN 0.439 nan 8.250 nan 0.000 0.452 210 D N -0.044 120.366 120.400 0.016 0.000 2.360 210 D HA 0.096 4.720 4.640 -0.027 0.000 0.210 210 D C -0.254 176.040 176.300 -0.009 0.000 1.047 210 D CA 0.123 54.127 54.000 0.006 0.000 0.854 210 D CB 0.398 41.200 40.800 0.002 0.000 0.936 210 D HN 0.171 nan 8.370 nan 0.000 0.514 211 A N 0.782 123.583 122.820 -0.031 0.000 2.328 211 A HA 0.269 4.573 4.320 -0.027 0.000 0.284 211 A C 1.233 178.789 177.584 -0.047 0.000 1.160 211 A CA -0.360 51.632 52.037 -0.075 0.000 0.818 211 A CB 0.787 19.688 19.000 -0.166 0.000 1.087 211 A HN -0.160 nan 8.150 nan 0.000 0.504 212 K N 1.119 121.508 120.400 -0.019 0.000 2.242 212 K HA 0.015 4.319 4.320 -0.027 0.000 0.200 212 K C 0.082 176.732 176.600 0.083 0.000 1.050 212 K CA 0.763 57.080 56.287 0.049 0.000 0.981 212 K CB 0.164 32.679 32.500 0.026 0.000 0.795 212 K HN 0.673 nan 8.250 nan 0.000 0.477 213 N N 1.214 119.897 118.700 -0.027 0.000 2.765 213 N HA 0.144 4.867 4.740 -0.027 0.000 0.277 213 N C -2.902 172.484 175.510 -0.207 0.000 1.750 213 N CA -1.939 51.090 53.050 -0.034 0.000 0.827 213 N CB 0.920 39.398 38.487 -0.013 0.000 1.200 213 N HN -0.100 nan 8.380 nan 0.000 0.494 214 P HA 0.219 nan 4.420 nan 0.000 0.278 214 P C -0.582 176.380 177.300 -0.563 0.000 1.238 214 P CA -0.355 62.310 63.100 -0.725 0.000 0.794 214 P CB 1.573 32.464 31.700 -1.350 0.000 0.955 215 V N 0.707 120.461 119.914 -0.267 0.000 3.007 215 V HA 0.647 4.751 4.120 -0.027 0.000 0.311 215 V C -0.551 175.593 176.094 0.083 0.000 1.120 215 V CA -1.134 61.161 62.300 -0.007 0.000 0.980 215 V CB 2.016 33.859 31.823 0.034 0.000 1.033 215 V HN 0.318 nan 8.190 nan 0.000 0.429 216 I N 3.244 123.926 120.570 0.186 0.000 2.441 216 I HA 0.531 4.684 4.170 -0.027 0.000 0.295 216 I C -0.707 175.503 176.117 0.154 0.000 0.994 216 I CA -0.640 60.748 61.300 0.146 0.000 1.144 216 I CB 1.933 40.004 38.000 0.118 0.000 1.314 216 I HN 0.437 nan 8.210 nan 0.000 0.445 217 L N 5.260 126.539 121.223 0.092 0.000 2.349 217 L HA 0.665 4.989 4.340 -0.027 0.000 0.278 217 L C -0.400 176.500 176.870 0.049 0.000 0.996 217 L CA -0.584 54.312 54.840 0.093 0.000 0.825 217 L CB 1.869 43.955 42.059 0.044 0.000 1.243 217 L HN 0.710 nan 8.230 nan 0.000 0.412 218 A N 3.129 125.984 122.820 0.059 0.000 2.258 218 A HA 0.515 4.818 4.320 -0.027 0.000 0.316 218 A C -0.774 176.828 177.584 0.030 0.000 1.279 218 A CA -0.545 51.497 52.037 0.010 0.000 0.876 218 A CB 0.946 19.943 19.000 -0.006 0.000 1.170 218 A HN 0.661 nan 8.150 nan 0.000 0.520 219 D N 1.750 122.155 120.400 0.008 0.000 2.549 219 D HA 0.609 5.232 4.640 -0.027 0.000 0.270 219 D C 1.695 178.002 176.300 0.011 0.000 1.181 219 D CA 0.355 54.367 54.000 0.021 0.000 1.070 219 D CB 1.656 42.472 40.800 0.027 0.000 1.154 219 D HN 0.472 nan 8.370 nan 0.000 0.602 220 A N 0.224 123.057 122.820 0.022 0.000 1.887 220 A HA -0.303 4.001 4.320 -0.027 0.000 0.225 220 A C 2.269 179.862 177.584 0.015 0.000 1.464 220 A CA 2.505 54.556 52.037 0.024 0.000 0.717 220 A CB -1.322 17.698 19.000 0.034 0.000 0.848 220 A HN 0.666 nan 8.150 nan 0.000 0.477 221 C N -1.057 118.246 119.300 0.005 0.000 2.539 221 C HA 0.071 4.515 4.460 -0.027 0.000 0.271 221 C C 2.727 177.722 174.990 0.008 0.000 1.412 221 C CA -0.298 58.731 59.018 0.019 0.000 1.729 221 C CB -2.514 25.256 27.740 0.050 0.000 1.739 221 C HN 0.815 nan 8.230 nan 0.000 0.570 222 C N 2.030 121.317 119.300 -0.022 0.000 2.376 222 C HA -0.148 4.296 4.460 -0.027 0.000 0.275 222 C C 2.987 177.950 174.990 -0.047 0.000 1.200 222 C CA 2.490 61.476 59.018 -0.052 0.000 1.756 222 C CB -1.115 26.588 27.740 -0.061 0.000 2.050 222 C HN 0.710 nan 8.230 nan 0.000 0.460 223 S N -0.407 115.272 115.700 -0.036 0.000 2.458 223 S HA 0.053 4.506 4.470 -0.027 0.000 0.223 223 S C 1.893 176.459 174.600 -0.056 0.000 1.019 223 S CA 0.715 58.889 58.200 -0.043 0.000 0.937 223 S CB -0.544 62.638 63.200 -0.029 0.000 0.788 223 S HN 0.649 nan 8.310 nan 0.000 0.511 224 R N 1.221 121.678 120.500 -0.072 0.000 2.075 224 R HA 0.073 4.396 4.340 -0.027 0.000 0.232 224 R C 1.147 177.276 176.300 -0.285 0.000 1.126 224 R CA 1.395 57.396 56.100 -0.164 0.000 0.963 224 R CB -0.562 29.622 30.300 -0.195 0.000 0.858 224 R HN 0.584 nan 8.270 nan 0.000 0.435 225 H N -0.429 118.585 119.070 -0.092 0.000 2.669 225 H HA 0.075 4.614 4.556 -0.028 0.000 0.297 225 H C 0.091 175.349 175.328 -0.117 0.000 1.071 225 H CA 0.574 56.556 56.048 -0.110 0.000 1.182 225 H CB 0.229 29.925 29.762 -0.109 0.000 1.343 225 H HN 0.308 nan 8.280 nan 0.000 0.582 226 D N -1.690 118.679 120.400 -0.052 0.000 2.884 226 D HA -0.281 4.343 4.640 -0.027 0.000 0.186 226 D C 1.521 177.781 176.300 -0.067 0.000 1.520 226 D CA 1.234 55.197 54.000 -0.061 0.000 1.997 226 D CB -1.276 39.489 40.800 -0.059 0.000 1.362 226 D HN 0.258 nan 8.370 nan 0.000 0.474 227 V N 1.462 121.333 119.914 -0.072 0.000 3.207 227 V HA -0.263 3.841 4.120 -0.027 0.000 0.273 227 V C 2.035 178.059 176.094 -0.117 0.000 1.182 227 V CA 2.834 65.071 62.300 -0.106 0.000 1.186 227 V CB -0.620 31.127 31.823 -0.127 0.000 0.801 227 V HN 0.416 nan 8.190 nan 0.000 0.548 228 K N -0.074 120.268 120.400 -0.097 0.000 2.097 228 K HA -0.132 4.172 4.320 -0.027 0.000 0.206 228 K C 2.079 178.612 176.600 -0.112 0.000 1.049 228 K CA 1.579 57.805 56.287 -0.102 0.000 0.933 228 K CB -0.328 32.117 32.500 -0.091 0.000 0.717 228 K HN 0.599 nan 8.250 nan 0.000 0.442 229 A N 1.144 123.903 122.820 -0.101 0.000 1.872 229 A HA -0.121 4.182 4.320 -0.027 0.000 0.214 229 A C 1.823 179.343 177.584 -0.107 0.000 1.187 229 A CA 1.509 53.488 52.037 -0.096 0.000 0.614 229 A CB -0.428 18.526 19.000 -0.077 0.000 0.826 229 A HN 0.386 nan 8.150 nan 0.000 0.442 230 E N -0.471 119.661 120.200 -0.114 0.000 2.204 230 E HA -0.078 4.256 4.350 -0.027 0.000 0.195 230 E C 1.945 178.447 176.600 -0.164 0.000 0.990 230 E CA 1.592 57.914 56.400 -0.129 0.000 0.821 230 E CB -0.321 29.294 29.700 -0.141 0.000 0.750 230 E HN 0.581 nan 8.360 nan 0.000 0.477 231 T N 0.616 115.067 114.554 -0.172 0.000 2.942 231 T HA -0.040 4.294 4.350 -0.027 0.000 0.265 231 T C 1.455 176.048 174.700 -0.179 0.000 1.062 231 T CA 0.734 62.718 62.100 -0.193 0.000 1.139 231 T CB 0.055 68.812 68.868 -0.184 0.000 0.883 231 T HN 0.059 nan 8.240 nan 0.000 0.468 232 K N 1.034 121.333 120.400 -0.167 0.000 2.167 232 K HA 0.095 4.398 4.320 -0.027 0.000 0.203 232 K C 2.199 178.699 176.600 -0.167 0.000 1.052 232 K CA 0.564 56.738 56.287 -0.189 0.000 0.956 232 K CB -0.089 32.308 32.500 -0.172 0.000 0.735 232 K HN 0.067 nan 8.250 nan 0.000 0.451 233 K N 1.701 122.019 120.400 -0.136 0.000 2.025 233 K HA -0.044 4.260 4.320 -0.027 0.000 0.207 233 K C 2.158 178.677 176.600 -0.134 0.000 1.049 233 K CA 0.777 56.997 56.287 -0.112 0.000 0.933 233 K CB -0.586 31.857 32.500 -0.095 0.000 0.714 233 K HN 0.046 nan 8.250 nan 0.000 0.438 234 L N 1.075 122.202 121.223 -0.160 0.000 2.127 234 L HA -0.144 4.180 4.340 -0.027 0.000 0.211 234 L C 2.068 178.802 176.870 -0.227 0.000 1.089 234 L CA 1.259 55.984 54.840 -0.192 0.000 0.757 234 L CB -0.166 41.771 42.059 -0.204 0.000 0.899 234 L HN 0.127 nan 8.230 nan 0.000 0.434 235 I N -0.994 119.457 120.570 -0.199 0.000 2.202 235 I HA -0.252 3.902 4.170 -0.027 0.000 0.242 235 I C 2.009 178.059 176.117 -0.112 0.000 1.091 235 I CA 1.251 62.446 61.300 -0.175 0.000 1.368 235 I CB -0.576 37.294 38.000 -0.217 0.000 1.058 235 I HN 0.235 nan 8.210 nan 0.000 0.410 236 D N 0.730 121.082 120.400 -0.080 0.000 2.117 236 D HA -0.121 4.502 4.640 -0.027 0.000 0.198 236 D C 2.187 178.458 176.300 -0.049 0.000 0.982 236 D CA 1.201 55.196 54.000 -0.008 0.000 0.828 236 D CB -0.034 40.765 40.800 -0.001 0.000 0.967 236 D HN 0.139 nan 8.370 nan 0.000 0.464 237 L N 0.810 121.972 121.223 -0.102 0.000 2.027 237 L HA -0.103 4.221 4.340 -0.027 0.000 0.206 237 L C 2.734 179.504 176.870 -0.165 0.000 1.074 237 L CA 1.689 56.462 54.840 -0.113 0.000 0.745 237 L CB -1.482 40.506 42.059 -0.118 0.000 0.898 237 L HN 0.158 nan 8.230 nan 0.000 0.433 238 T N -4.917 109.444 114.554 -0.320 0.000 3.009 238 T HA -0.073 4.261 4.350 -0.027 0.000 0.258 238 T C 0.960 175.447 174.700 -0.354 0.000 1.063 238 T CA 0.378 62.128 62.100 -0.583 0.000 1.139 238 T CB 0.089 68.102 68.868 -1.424 0.000 0.890 238 T HN 0.340 nan 8.240 nan 0.000 0.471 239 Q N 0.185 119.895 119.800 -0.150 0.000 2.489 239 Q HA -0.122 4.202 4.340 -0.027 0.000 0.259 239 Q C -0.942 175.267 176.000 0.348 0.000 0.934 239 Q CA 0.477 56.358 55.803 0.129 0.000 1.131 239 Q CB -2.564 26.302 28.738 0.213 0.000 1.472 239 Q HN 0.583 nan 8.270 nan 0.000 0.560 240 F N 1.124 121.086 119.950 0.021 0.000 2.418 240 F HA 0.373 4.884 4.527 -0.028 0.000 0.341 240 F C -1.408 174.415 175.800 0.038 0.000 1.120 240 F CA -2.782 55.179 58.000 -0.065 0.000 1.232 240 F CB -0.533 38.349 39.000 -0.197 0.000 1.175 240 F HN -0.191 nan 8.300 nan 0.000 0.569 241 P HA 0.321 nan 4.420 nan 0.000 0.271 241 P C -1.164 176.167 177.300 0.051 0.000 1.216 241 P CA -0.140 63.021 63.100 0.103 0.000 0.776 241 P CB 0.693 32.482 31.700 0.147 0.000 0.881 242 A N 3.092 125.794 122.820 -0.196 0.000 2.365 242 A HA 0.814 5.118 4.320 -0.027 0.000 0.318 242 A C -1.263 176.008 177.584 -0.522 0.000 1.091 242 A CA -0.406 51.552 52.037 -0.133 0.000 0.763 242 A CB 0.618 19.596 19.000 -0.037 0.000 1.248 242 A HN 0.379 nan 8.150 nan 0.000 0.442 243 F N 0.557 120.474 119.950 -0.054 0.000 2.588 243 F HA 0.619 5.129 4.527 -0.027 0.000 0.314 243 F C 0.163 175.993 175.800 0.050 0.000 1.069 243 F CA -0.715 57.239 58.000 -0.076 0.000 0.931 243 F CB 2.533 41.487 39.000 -0.077 0.000 1.260 243 F HN 0.557 nan 8.300 nan 0.000 0.465 244 V N -1.388 118.697 119.914 0.284 0.000 2.864 244 V HA 0.884 4.987 4.120 -0.027 0.000 0.314 244 V C -0.293 175.917 176.094 0.193 0.000 1.073 244 V CA -0.780 61.644 62.300 0.207 0.000 0.956 244 V CB 1.277 33.219 31.823 0.199 0.000 1.023 244 V HN 0.866 nan 8.190 nan 0.000 0.435 245 T N 0.091 114.726 114.554 0.135 0.000 2.927 245 T HA 0.561 4.894 4.350 -0.027 0.000 0.281 245 T C -1.765 172.956 174.700 0.035 0.000 0.998 245 T CA -1.774 60.386 62.100 0.100 0.000 1.019 245 T CB 1.374 70.294 68.868 0.086 0.000 1.061 245 T HN 0.528 nan 8.240 nan 0.000 0.518 246 P HA -0.114 nan 4.420 nan 0.000 0.216 246 P C 1.618 178.896 177.300 -0.037 0.000 1.154 246 P CA 1.503 64.564 63.100 -0.065 0.000 0.865 246 P CB -0.122 31.501 31.700 -0.129 0.000 0.789 247 M N -1.748 117.842 119.600 -0.017 0.000 2.394 247 M HA 0.015 4.479 4.480 -0.027 0.000 0.264 247 M C 1.914 178.231 176.300 0.028 0.000 1.073 247 M CA 1.681 56.983 55.300 0.004 0.000 1.111 247 M CB -0.681 31.925 32.600 0.011 0.000 1.401 247 M HN -0.016 nan 8.290 nan 0.000 0.448 248 G N -0.188 108.631 108.800 0.033 0.000 3.088 248 G HA2 0.018 3.962 3.960 -0.027 0.000 0.217 248 G HA3 0.018 3.962 3.960 -0.027 0.000 0.217 248 G C 0.411 175.342 174.900 0.052 0.000 1.159 248 G CA -0.362 44.763 45.100 0.042 0.000 0.760 248 G HN 0.254 nan 8.290 nan 0.000 0.550 249 K N 0.779 121.205 120.400 0.043 0.000 2.472 249 K HA 0.331 4.634 4.320 -0.027 0.000 0.280 249 K C 1.323 178.003 176.600 0.134 0.000 1.028 249 K CA 0.986 57.289 56.287 0.027 0.000 1.045 249 K CB -0.009 32.450 32.500 -0.069 0.000 0.902 249 K HN 0.244 nan 8.250 nan 0.000 0.478 250 G N 2.081 110.965 108.800 0.139 0.000 2.218 250 G HA2 -0.236 3.707 3.960 -0.027 0.000 0.216 250 G HA3 -0.236 3.707 3.960 -0.027 0.000 0.216 250 G C 0.962 175.885 174.900 0.038 0.000 0.994 250 G CA 0.258 45.474 45.100 0.193 0.000 0.637 250 G HN 0.592 nan 8.290 nan 0.000 0.505 251 S N -0.103 115.606 115.700 0.016 0.000 2.406 251 S HA 0.309 4.763 4.470 -0.027 0.000 0.228 251 S C 1.072 175.633 174.600 -0.065 0.000 1.020 251 S CA 0.817 59.001 58.200 -0.026 0.000 0.965 251 S CB -0.027 63.166 63.200 -0.011 0.000 0.798 251 S HN 0.541 nan 8.310 nan 0.000 0.488 252 I N 0.807 121.339 120.570 -0.064 0.000 2.493 252 I HA 0.260 4.414 4.170 -0.027 0.000 0.298 252 I C -0.347 175.658 176.117 -0.185 0.000 0.998 252 I CA -0.510 60.728 61.300 -0.104 0.000 1.137 252 I CB 1.935 39.932 38.000 -0.005 0.000 1.310 252 I HN -0.140 nan 8.210 nan 0.000 0.445 253 S N 4.200 119.793 115.700 -0.179 0.000 2.455 253 S HA 0.067 4.521 4.470 -0.027 0.000 0.278 253 S C 1.072 175.491 174.600 -0.303 0.000 1.216 253 S CA -0.397 57.701 58.200 -0.171 0.000 1.055 253 S CB 0.349 63.496 63.200 -0.088 0.000 0.939 253 S HN 0.558 nan 8.310 nan 0.000 0.494 254 E N 2.103 122.035 120.200 -0.448 0.000 2.463 254 E HA -0.160 4.174 4.350 -0.027 0.000 0.201 254 E C 0.810 177.248 176.600 -0.270 0.000 1.045 254 E CA 0.668 56.616 56.400 -0.754 0.000 0.872 254 E CB 0.096 29.478 29.700 -0.531 0.000 0.797 254 E HN 0.458 nan 8.360 nan 0.000 0.538 255 Q N -0.423 119.316 119.800 -0.101 0.000 2.247 255 Q HA 0.054 4.378 4.340 -0.027 0.000 0.204 255 Q C -0.150 175.871 176.000 0.036 0.000 0.872 255 Q CA 0.092 55.891 55.803 -0.006 0.000 0.951 255 Q CB 0.202 28.933 28.738 -0.013 0.000 1.099 255 Q HN 0.253 nan 8.270 nan 0.000 0.501 256 H N 0.554 119.615 119.070 -0.015 0.000 2.803 256 H HA 0.046 4.586 4.556 -0.027 0.000 0.330 256 H C -1.734 173.620 175.328 0.043 0.000 1.057 256 H CA -1.528 54.525 56.048 0.008 0.000 1.458 256 H CB 1.482 31.248 29.762 0.006 0.000 1.470 256 H HN -0.029 nan 8.280 nan 0.000 0.560 257 P HA -0.094 nan 4.420 nan 0.000 0.221 257 P C 0.945 178.223 177.300 -0.037 0.000 1.145 257 P CA 0.906 63.922 63.100 -0.141 0.000 0.795 257 P CB 0.349 31.930 31.700 -0.198 0.000 0.775 258 R N -2.374 118.161 120.500 0.059 0.000 2.334 258 R HA 0.120 4.444 4.340 -0.027 0.000 0.216 258 R C 0.268 176.623 176.300 0.092 0.000 0.905 258 R CA -0.425 55.766 56.100 0.152 0.000 1.064 258 R CB -1.102 29.341 30.300 0.239 0.000 1.046 258 R HN 0.293 nan 8.270 nan 0.000 0.508 259 Y N 0.871 121.182 120.300 0.019 0.000 2.537 259 Y HA 0.244 4.777 4.550 -0.028 0.000 0.339 259 Y C 1.313 177.049 175.900 -0.272 0.000 1.066 259 Y CA -0.027 57.998 58.100 -0.125 0.000 1.357 259 Y CB 0.768 39.194 38.460 -0.056 0.000 1.175 259 Y HN 0.091 nan 8.280 nan 0.000 0.525 260 G N 2.745 110.774 108.800 -1.285 0.000 2.848 260 G HA2 0.471 4.415 3.960 -0.027 0.000 0.213 260 G HA3 0.471 4.415 3.960 -0.027 0.000 0.213 260 G C 0.299 174.586 174.900 -1.022 0.000 1.101 260 G CA 0.294 44.693 45.100 -1.167 0.000 0.778 260 G HN 1.276 nan 8.290 nan 0.000 0.536 261 G N -1.269 106.638 108.800 -1.488 0.000 2.359 261 G HA2 0.290 4.234 3.960 -0.027 0.000 0.303 261 G HA3 0.290 4.234 3.960 -0.027 0.000 0.303 261 G C -1.447 173.444 174.900 -0.014 0.000 1.293 261 G CA -0.331 44.477 45.100 -0.488 0.000 0.964 261 G HN 0.630 nan 8.290 nan 0.000 0.531 262 V N 0.565 120.577 119.914 0.164 0.000 2.439 262 V HA 0.584 4.687 4.120 -0.027 0.000 0.282 262 V C -0.401 175.815 176.094 0.203 0.000 1.039 262 V CA -0.442 61.965 62.300 0.178 0.000 0.913 262 V CB 1.224 33.085 31.823 0.063 0.000 0.983 262 V HN 0.923 nan 8.190 nan 0.000 0.460 263 Y N 5.452 125.790 120.300 0.064 0.000 2.328 263 Y HA 0.711 5.244 4.550 -0.028 0.000 0.333 263 Y C -0.511 175.376 175.900 -0.021 0.000 0.958 263 Y CA -0.602 57.482 58.100 -0.025 0.000 1.167 263 Y CB 1.499 39.875 38.460 -0.139 0.000 1.151 263 Y HN 0.464 nan 8.280 nan 0.000 0.470 264 V N 4.894 124.486 119.914 -0.536 0.000 3.103 264 V HA 0.719 4.823 4.120 -0.027 0.000 0.318 264 V C 0.723 176.294 176.094 -0.871 0.000 1.114 264 V CA -0.244 61.781 62.300 -0.458 0.000 1.020 264 V CB 1.199 32.892 31.823 -0.217 0.000 1.085 264 V HN 0.923 nan 8.190 nan 0.000 0.446 265 G N 0.782 109.238 108.800 -0.573 0.000 2.586 265 G HA2 0.018 3.961 3.960 -0.027 0.000 0.199 265 G HA3 0.018 3.961 3.960 -0.027 0.000 0.199 265 G C 1.316 176.032 174.900 -0.307 0.000 1.614 265 G CA 0.995 45.775 45.100 -0.534 0.000 0.921 265 G HN 0.895 nan 8.290 nan 0.000 0.428 266 T N -0.121 114.345 114.554 -0.147 0.000 3.051 266 T HA 0.102 4.436 4.350 -0.027 0.000 0.269 266 T C 2.023 176.676 174.700 -0.078 0.000 1.127 266 T CA 0.460 62.511 62.100 -0.083 0.000 1.107 266 T CB -0.075 68.765 68.868 -0.045 0.000 0.898 266 T HN 0.096 nan 8.240 nan 0.000 0.517 267 L N 1.327 122.491 121.223 -0.098 0.000 2.591 267 L HA 0.209 4.533 4.340 -0.027 0.000 0.228 267 L C 0.714 177.544 176.870 -0.066 0.000 1.133 267 L CA -0.106 54.699 54.840 -0.059 0.000 0.880 267 L CB -0.395 41.656 42.059 -0.014 0.000 1.033 267 L HN 0.254 nan 8.230 nan 0.000 0.450 268 S N -0.119 115.519 115.700 -0.103 0.000 2.614 268 S HA 0.220 4.674 4.470 -0.027 0.000 0.265 268 S C 0.178 174.764 174.600 -0.025 0.000 1.303 268 S CA -0.596 57.560 58.200 -0.074 0.000 1.000 268 S CB 1.012 64.162 63.200 -0.083 0.000 0.935 268 S HN 0.010 nan 8.310 nan 0.000 0.551 269 K N 3.221 123.622 120.400 0.000 0.000 2.416 269 K HA 0.165 4.469 4.320 -0.027 0.000 0.283 269 K C -1.521 175.091 176.600 0.020 0.000 1.037 269 K CA -1.835 54.460 56.287 0.014 0.000 0.995 269 K CB 0.059 32.574 32.500 0.026 0.000 0.938 269 K HN 0.234 nan 8.250 nan 0.000 0.475 270 P HA -0.293 nan 4.420 nan 0.000 0.219 270 P C 0.687 178.001 177.300 0.023 0.000 1.153 270 P CA 1.489 64.597 63.100 0.014 0.000 0.865 270 P CB 0.389 32.096 31.700 0.010 0.000 0.788 271 E N -0.727 119.492 120.200 0.031 0.000 2.208 271 E HA -0.064 4.269 4.350 -0.027 0.000 0.193 271 E C 1.942 178.576 176.600 0.058 0.000 0.988 271 E CA 0.458 56.882 56.400 0.039 0.000 0.828 271 E CB -0.041 29.685 29.700 0.042 0.000 0.763 271 E HN 0.043 nan 8.360 nan 0.000 0.478 272 V N 1.385 121.345 119.914 0.076 0.000 2.323 272 V HA -0.246 3.858 4.120 -0.027 0.000 0.244 272 V C 2.379 178.479 176.094 0.009 0.000 1.041 272 V CA 1.986 64.352 62.300 0.110 0.000 1.025 272 V CB -0.377 31.543 31.823 0.160 0.000 0.656 272 V HN 0.192 nan 8.190 nan 0.000 0.451 273 K N 0.878 121.311 120.400 0.055 0.000 2.032 273 K HA -0.243 4.060 4.320 -0.027 0.000 0.209 273 K C 1.893 178.504 176.600 0.018 0.000 1.048 273 K CA 2.142 58.489 56.287 0.100 0.000 0.927 273 K CB -0.341 32.194 32.500 0.059 0.000 0.712 273 K HN 0.331 nan 8.250 nan 0.000 0.441 274 E N 0.191 120.385 120.200 -0.009 0.000 2.047 274 E HA 0.009 4.343 4.350 -0.027 0.000 0.191 274 E C 1.947 178.500 176.600 -0.078 0.000 0.987 274 E CA 1.500 57.881 56.400 -0.032 0.000 0.799 274 E CB -0.533 29.160 29.700 -0.011 0.000 0.752 274 E HN 0.451 nan 8.360 nan 0.000 0.449 275 A N 0.160 122.933 122.820 -0.077 0.000 1.948 275 A HA -0.190 4.114 4.320 -0.027 0.000 0.220 275 A C 2.444 179.871 177.584 -0.262 0.000 1.177 275 A CA 1.734 53.721 52.037 -0.083 0.000 0.636 275 A CB -0.681 18.374 19.000 0.091 0.000 0.815 275 A HN 0.175 nan 8.150 nan 0.000 0.449 276 V N -0.258 119.353 119.914 -0.504 0.000 2.407 276 V HA -0.184 3.920 4.120 -0.027 0.000 0.245 276 V C 2.294 178.143 176.094 -0.408 0.000 1.041 276 V CA 2.010 63.911 62.300 -0.664 0.000 1.040 276 V CB -0.712 30.446 31.823 -1.108 0.000 0.671 276 V HN 0.640 nan 8.190 nan 0.000 0.455 277 E N 0.786 120.819 120.200 -0.278 0.000 2.204 277 E HA -0.135 4.199 4.350 -0.027 0.000 0.194 277 E C 2.130 178.660 176.600 -0.117 0.000 0.989 277 E CA 1.388 57.691 56.400 -0.161 0.000 0.824 277 E CB -0.142 29.517 29.700 -0.068 0.000 0.756 277 E HN 0.720 nan 8.360 nan 0.000 0.477 278 S N 0.350 115.986 115.700 -0.107 0.000 2.593 278 S HA 0.236 4.690 4.470 -0.027 0.000 0.217 278 S C 0.908 175.460 174.600 -0.081 0.000 0.966 278 S CA -0.173 57.982 58.200 -0.074 0.000 0.914 278 S CB 0.225 63.393 63.200 -0.052 0.000 0.776 278 S HN 0.187 nan 8.310 nan 0.000 0.523 279 A N 2.817 125.567 122.820 -0.117 0.000 2.477 279 A HA 0.357 4.661 4.320 -0.027 0.000 0.246 279 A C 1.090 178.608 177.584 -0.110 0.000 1.078 279 A CA 0.047 52.011 52.037 -0.121 0.000 0.770 279 A CB 0.188 19.093 19.000 -0.159 0.000 1.011 279 A HN 0.499 nan 8.150 nan 0.000 0.494 280 D N 0.840 121.177 120.400 -0.106 0.000 2.350 280 D HA 0.169 4.792 4.640 -0.027 0.000 0.213 280 D C -0.106 176.134 176.300 -0.100 0.000 1.031 280 D CA 0.177 54.123 54.000 -0.090 0.000 0.861 280 D CB 0.092 40.850 40.800 -0.069 0.000 0.926 280 D HN 0.256 nan 8.370 nan 0.000 0.520 281 L N 0.312 121.457 121.223 -0.130 0.000 2.588 281 L HA 0.428 4.751 4.340 -0.027 0.000 0.263 281 L C -2.061 174.731 176.870 -0.130 0.000 0.935 281 L CA -0.881 53.885 54.840 -0.122 0.000 0.891 281 L CB 1.918 43.889 42.059 -0.146 0.000 1.318 281 L HN -0.198 nan 8.230 nan 0.000 0.409 282 I N 5.380 125.900 120.570 -0.084 0.000 2.406 282 I HA 0.457 4.611 4.170 -0.027 0.000 0.290 282 I C -0.618 175.505 176.117 0.010 0.000 0.999 282 I CA -0.212 61.049 61.300 -0.065 0.000 1.124 282 I CB 1.713 39.659 38.000 -0.091 0.000 1.289 282 I HN 0.410 nan 8.210 nan 0.000 0.441 283 L N 5.307 126.572 121.223 0.070 0.000 2.264 283 L HA 0.449 4.772 4.340 -0.027 0.000 0.287 283 L C 0.179 177.149 176.870 0.166 0.000 1.039 283 L CA -0.229 54.725 54.840 0.190 0.000 0.829 283 L CB 1.049 43.255 42.059 0.243 0.000 1.211 283 L HN 0.571 nan 8.230 nan 0.000 0.427 284 S N 3.320 119.137 115.700 0.195 0.000 2.448 284 S HA 0.486 4.940 4.470 -0.027 0.000 0.320 284 S C -0.414 174.260 174.600 0.123 0.000 1.071 284 S CA -0.551 57.712 58.200 0.105 0.000 1.113 284 S CB 0.932 64.155 63.200 0.039 0.000 0.972 284 S HN 0.276 nan 8.310 nan 0.000 0.465 285 V N 5.044 124.945 119.914 -0.023 0.000 2.304 285 V HA 0.622 4.725 4.120 -0.027 0.000 0.269 285 V C 1.052 177.081 176.094 -0.109 0.000 1.036 285 V CA 0.233 62.455 62.300 -0.131 0.000 0.840 285 V CB 0.147 31.807 31.823 -0.272 0.000 1.036 285 V HN 1.240 nan 8.190 nan 0.000 0.466 286 G N 4.187 112.901 108.800 -0.142 0.000 2.303 286 G HA2 0.014 3.957 3.960 -0.027 0.000 0.260 286 G HA3 0.014 3.957 3.960 -0.027 0.000 0.260 286 G C 0.195 175.056 174.900 -0.064 0.000 1.106 286 G CA -0.142 44.888 45.100 -0.118 0.000 0.900 286 G HN 1.365 nan 8.290 nan 0.000 0.495 287 A N -0.214 122.554 122.820 -0.086 0.000 2.440 287 A HA 0.746 5.050 4.320 -0.027 0.000 0.251 287 A C 0.825 178.526 177.584 0.194 0.000 1.089 287 A CA 0.306 52.391 52.037 0.081 0.000 0.779 287 A CB 0.379 19.446 19.000 0.112 0.000 1.022 287 A HN 1.222 nan 8.150 nan 0.000 0.492 288 L N 3.783 125.084 121.223 0.129 0.000 2.980 288 L HA 0.243 4.566 4.340 -0.027 0.000 0.314 288 L C -0.050 176.878 176.870 0.098 0.000 1.303 288 L CA -0.292 54.617 54.840 0.116 0.000 0.785 288 L CB -0.044 42.078 42.059 0.105 0.000 1.190 288 L HN 0.794 nan 8.230 nan 0.000 0.567 289 L N -0.736 120.556 121.223 0.116 0.000 2.540 289 L HA 0.157 4.481 4.340 -0.027 0.000 0.276 289 L C 1.128 178.047 176.870 0.081 0.000 1.212 289 L CA 0.480 55.381 54.840 0.102 0.000 0.893 289 L CB 1.261 43.392 42.059 0.121 0.000 1.138 289 L HN 0.452 nan 8.230 nan 0.000 0.491 290 S N 2.191 117.934 115.700 0.072 0.000 2.433 290 S HA -0.047 4.406 4.470 -0.027 0.000 0.216 290 S C 0.720 175.361 174.600 0.069 0.000 1.031 290 S CA 0.226 58.458 58.200 0.055 0.000 0.931 290 S CB -0.563 62.655 63.200 0.031 0.000 0.875 290 S HN 0.954 nan 8.310 nan 0.000 0.553 303 T N 2.957 117.482 114.554 -0.048 0.000 3.355 303 T HA 0.221 4.555 4.350 -0.027 0.000 0.324 303 T C 0.349 175.013 174.700 -0.059 0.000 0.932 303 T CA -0.771 61.284 62.100 -0.076 0.000 1.032 303 T CB 1.810 70.631 68.868 -0.079 0.000 1.027 303 T HN 0.525 nan 8.240 nan 0.000 0.456 304 K N 2.299 122.660 120.400 -0.065 0.000 2.037 304 K HA 0.062 4.366 4.320 -0.027 0.000 0.224 304 K C 0.634 177.210 176.600 -0.040 0.000 0.963 304 K CA 1.138 57.394 56.287 -0.051 0.000 1.063 304 K CB 0.106 32.571 32.500 -0.058 0.000 0.779 304 K HN 0.500 nan 8.250 nan 0.000 0.512 305 N N 0.748 119.422 118.700 -0.042 0.000 2.425 305 N HA 0.258 4.982 4.740 -0.027 0.000 0.268 305 N C -0.935 174.553 175.510 -0.037 0.000 0.991 305 N CA -0.141 52.890 53.050 -0.032 0.000 0.931 305 N CB 1.289 39.756 38.487 -0.033 0.000 1.130 305 N HN 0.194 nan 8.380 nan 0.000 0.493 306 I N 1.775 122.331 120.570 -0.024 0.000 2.418 306 I HA 0.246 4.399 4.170 -0.027 0.000 0.287 306 I C -0.354 175.751 176.117 -0.020 0.000 1.008 306 I CA -0.879 60.410 61.300 -0.019 0.000 1.104 306 I CB 2.182 40.176 38.000 -0.009 0.000 1.264 306 I HN 0.019 nan 8.210 nan 0.000 0.438 307 V N 6.074 125.970 119.914 -0.030 0.000 2.350 307 V HA 0.284 4.388 4.120 -0.027 0.000 0.276 307 V C -0.011 176.016 176.094 -0.112 0.000 1.028 307 V CA -0.448 61.782 62.300 -0.116 0.000 0.860 307 V CB 1.457 33.180 31.823 -0.168 0.000 0.990 307 V HN 0.673 nan 8.190 nan 0.000 0.453 308 E N 3.838 123.953 120.200 -0.141 0.000 2.156 308 E HA 0.496 4.829 4.350 -0.027 0.000 0.279 308 E C -1.519 174.897 176.600 -0.307 0.000 0.965 308 E CA -0.538 55.779 56.400 -0.138 0.000 0.789 308 E CB 1.136 30.860 29.700 0.040 0.000 1.098 308 E HN 0.519 nan 8.360 nan 0.000 0.397 309 F N 3.792 123.496 119.950 -0.410 0.000 2.388 309 F HA 0.336 4.847 4.527 -0.028 0.000 0.358 309 F C 0.358 175.805 175.800 -0.588 0.000 1.122 309 F CA -0.554 57.229 58.000 -0.361 0.000 1.056 309 F CB 0.847 39.713 39.000 -0.222 0.000 1.155 309 F HN 0.362 nan 8.300 nan 0.000 0.461 310 H N 0.236 119.213 119.070 -0.156 0.000 2.747 310 H HA 0.190 4.730 4.556 -0.026 0.000 0.371 310 H C 0.803 176.001 175.328 -0.217 0.000 1.161 310 H CA -0.282 55.602 56.048 -0.274 0.000 1.167 310 H CB 2.072 31.500 29.762 -0.558 0.000 1.732 310 H HN 0.556 nan 8.280 nan 0.000 0.544 311 S N 0.331 115.925 115.700 -0.176 0.000 2.440 311 S HA -0.197 4.257 4.470 -0.027 0.000 0.240 311 S C 0.808 175.361 174.600 -0.078 0.000 1.014 311 S CA 1.776 59.816 58.200 -0.268 0.000 0.980 311 S CB -0.158 62.598 63.200 -0.740 0.000 0.775 311 S HN 0.776 nan 8.310 nan 0.000 0.499 312 D N 0.048 120.470 120.400 0.036 0.000 2.594 312 D HA 0.103 4.727 4.640 -0.027 0.000 0.256 312 D C 0.143 176.592 176.300 0.248 0.000 1.393 312 D CA -0.386 53.692 54.000 0.131 0.000 0.797 312 D CB -0.470 40.402 40.800 0.120 0.000 1.110 312 D HN 0.721 nan 8.370 nan 0.000 0.495 313 H N -1.885 117.242 119.070 0.096 0.000 3.005 313 H HA 0.414 4.954 4.556 -0.026 0.000 0.311 313 H C -1.719 173.712 175.328 0.172 0.000 1.366 313 H CA -0.802 55.317 56.048 0.118 0.000 1.210 313 H CB 0.530 30.337 29.762 0.074 0.000 1.894 313 H HN -0.175 nan 8.280 nan 0.000 0.520 314 M N 1.572 121.290 119.600 0.196 0.000 2.716 314 M HA 0.516 4.980 4.480 -0.027 0.000 0.307 314 M C -0.662 175.825 176.300 0.311 0.000 1.223 314 M CA -0.787 54.562 55.300 0.082 0.000 0.871 314 M CB 2.678 35.227 32.600 -0.086 0.000 1.739 314 M HN 0.722 nan 8.290 nan 0.000 0.475 315 K N 1.336 121.859 120.400 0.204 0.000 2.513 315 K HA 0.742 5.045 4.320 -0.027 0.000 0.251 315 K C -2.107 174.575 176.600 0.137 0.000 0.939 315 K CA -0.327 56.104 56.287 0.240 0.000 0.793 315 K CB 1.999 34.630 32.500 0.220 0.000 1.241 315 K HN 0.727 nan 8.250 nan 0.000 0.431 316 I N 5.475 126.169 120.570 0.207 0.000 2.468 316 I HA 0.435 4.588 4.170 -0.027 0.000 0.285 316 I C 0.182 176.352 176.117 0.087 0.000 1.039 316 I CA -0.671 60.696 61.300 0.111 0.000 1.074 316 I CB 1.628 39.702 38.000 0.123 0.000 1.228 316 I HN 0.873 nan 8.210 nan 0.000 0.436 317 R N 3.333 123.857 120.500 0.041 0.000 4.026 317 R HA -0.231 4.092 4.340 -0.027 0.000 0.338 317 R C 0.521 176.838 176.300 0.029 0.000 0.241 317 R CA 1.324 57.440 56.100 0.027 0.000 1.115 317 R CB -0.948 29.366 30.300 0.024 0.000 1.047 317 R HN 0.670 nan 8.270 nan 0.000 0.539 318 N N 1.101 119.809 118.700 0.014 0.000 2.422 318 N HA 0.142 4.866 4.740 -0.027 0.000 0.181 318 N C 0.099 175.594 175.510 -0.025 0.000 1.080 318 N CA 0.843 53.892 53.050 -0.002 0.000 0.893 318 N CB 0.389 38.869 38.487 -0.012 0.000 0.973 318 N HN 0.479 nan 8.380 nan 0.000 0.456 319 A N 1.186 123.986 122.820 -0.034 0.000 2.401 319 A HA 0.428 4.732 4.320 -0.027 0.000 0.259 319 A C 0.108 177.579 177.584 -0.189 0.000 1.103 319 A CA 0.075 52.019 52.037 -0.154 0.000 0.789 319 A CB 0.298 19.171 19.000 -0.211 0.000 1.035 319 A HN 0.025 nan 8.150 nan 0.000 0.491 320 T N 2.364 116.726 114.554 -0.320 0.000 2.797 320 T HA 0.552 4.885 4.350 -0.027 0.000 0.279 320 T C -0.927 173.527 174.700 -0.410 0.000 0.991 320 T CA 0.110 62.097 62.100 -0.189 0.000 0.979 320 T CB 0.373 69.203 68.868 -0.064 0.000 0.943 320 T HN 0.336 nan 8.240 nan 0.000 0.444 321 F N 3.849 123.830 119.950 0.052 0.000 2.359 321 F HA 0.373 4.884 4.527 -0.027 0.000 0.370 321 F C -2.349 173.497 175.800 0.077 0.000 1.077 321 F CA -2.635 55.389 58.000 0.041 0.000 1.136 321 F CB 0.868 39.883 39.000 0.025 0.000 1.387 321 F HN 0.275 nan 8.300 nan 0.000 0.468 322 P HA 0.287 nan 4.420 nan 0.000 0.275 322 P C 0.896 178.275 177.300 0.131 0.000 1.227 322 P CA 0.464 63.624 63.100 0.100 0.000 0.781 322 P CB 1.278 32.985 31.700 0.011 0.000 0.906 323 G N 1.210 110.093 108.800 0.138 0.000 2.253 323 G HA2 -0.226 3.717 3.960 -0.027 0.000 0.251 323 G HA3 -0.226 3.717 3.960 -0.027 0.000 0.251 323 G C 0.006 174.985 174.900 0.131 0.000 0.998 323 G CA -0.029 45.142 45.100 0.118 0.000 0.621 323 G HN 0.518 nan 8.290 nan 0.000 0.524 324 V N 2.745 122.749 119.914 0.151 0.000 2.387 324 V HA 0.350 4.454 4.120 -0.027 0.000 0.260 324 V C 0.758 176.934 176.094 0.137 0.000 1.054 324 V CA -0.057 62.316 62.300 0.122 0.000 0.967 324 V CB 0.954 32.824 31.823 0.078 0.000 1.036 324 V HN 0.484 nan 8.190 nan 0.000 0.481 325 Q N 4.633 124.544 119.800 0.185 0.000 2.313 325 Q HA 0.211 4.534 4.340 -0.027 0.000 0.266 325 Q C 1.390 177.478 176.000 0.147 0.000 0.989 325 Q CA -0.168 55.740 55.803 0.175 0.000 0.890 325 Q CB 1.120 30.023 28.738 0.274 0.000 1.200 325 Q HN 0.857 nan 8.270 nan 0.000 0.396 326 M N 0.804 120.449 119.600 0.074 0.000 2.358 326 M HA -0.151 4.313 4.480 -0.027 0.000 0.264 326 M C 1.589 177.922 176.300 0.055 0.000 1.064 326 M CA 1.464 56.831 55.300 0.112 0.000 1.093 326 M CB -0.308 32.370 32.600 0.131 0.000 1.401 326 M HN 0.337 nan 8.290 nan 0.000 0.440 327 K N 1.467 121.825 120.400 -0.070 0.000 2.032 327 K HA -0.099 4.205 4.320 -0.027 0.000 0.209 327 K C 1.344 177.851 176.600 -0.156 0.000 1.048 327 K CA 2.062 58.217 56.287 -0.220 0.000 0.927 327 K CB -0.603 31.621 32.500 -0.460 0.000 0.712 327 K HN 0.438 nan 8.250 nan 0.000 0.441 328 F N -0.119 119.844 119.950 0.021 0.000 2.146 328 F HA -0.100 4.410 4.527 -0.028 0.000 0.298 328 F C 2.225 178.036 175.800 0.018 0.000 1.096 328 F CA 0.901 58.911 58.000 0.016 0.000 1.275 328 F CB -0.803 38.206 39.000 0.014 0.000 1.008 328 F HN -0.177 nan 8.300 nan 0.000 0.480 329 V N -0.333 119.712 119.914 0.219 0.000 2.343 329 V HA -0.242 3.862 4.120 -0.027 0.000 0.247 329 V C 2.296 178.481 176.094 0.151 0.000 1.051 329 V CA 1.268 63.657 62.300 0.148 0.000 1.036 329 V CB -0.624 31.278 31.823 0.131 0.000 0.654 329 V HN 0.223 nan 8.190 nan 0.000 0.451 330 L N -0.198 121.103 121.223 0.131 0.000 2.179 330 L HA -0.060 4.264 4.340 -0.027 0.000 0.208 330 L C 2.488 179.360 176.870 0.004 0.000 1.096 330 L CA 1.655 56.519 54.840 0.040 0.000 0.779 330 L CB -0.836 41.182 42.059 -0.068 0.000 0.922 330 L HN 0.391 nan 8.230 nan 0.000 0.443 331 Q N -0.989 118.820 119.800 0.015 0.000 2.123 331 Q HA -0.202 4.122 4.340 -0.027 0.000 0.199 331 Q C 2.051 178.069 176.000 0.030 0.000 0.966 331 Q CA 1.298 57.108 55.803 0.011 0.000 0.845 331 Q CB -0.048 28.704 28.738 0.024 0.000 0.907 331 Q HN 0.452 nan 8.270 nan 0.000 0.439 332 K N 0.811 121.245 120.400 0.056 0.000 2.007 332 K HA -0.042 4.262 4.320 -0.027 0.000 0.206 332 K C 2.119 178.738 176.600 0.030 0.000 1.047 332 K CA 0.816 57.131 56.287 0.047 0.000 0.937 332 K CB -0.104 32.430 32.500 0.057 0.000 0.718 332 K HN 0.072 nan 8.250 nan 0.000 0.438 333 L N 1.155 122.402 121.223 0.040 0.000 2.051 333 L HA -0.248 4.075 4.340 -0.027 0.000 0.214 333 L C 2.249 179.120 176.870 0.002 0.000 1.076 333 L CA 1.245 56.103 54.840 0.031 0.000 0.758 333 L CB -0.584 41.512 42.059 0.062 0.000 0.890 333 L HN 0.237 nan 8.230 nan 0.000 0.433 334 L N -0.716 120.500 121.223 -0.013 0.000 2.261 334 L HA -0.208 4.115 4.340 -0.027 0.000 0.216 334 L C 2.297 179.153 176.870 -0.023 0.000 1.114 334 L CA 1.293 56.113 54.840 -0.033 0.000 0.777 334 L CB -0.755 41.278 42.059 -0.043 0.000 0.910 334 L HN 0.334 nan 8.230 nan 0.000 0.440 335 T N -1.134 113.415 114.554 -0.009 0.000 3.054 335 T HA -0.015 4.319 4.350 -0.027 0.000 0.259 335 T C 1.195 175.891 174.700 -0.005 0.000 1.092 335 T CA 1.175 63.271 62.100 -0.006 0.000 1.121 335 T CB -0.207 68.662 68.868 0.001 0.000 0.912 335 T HN 0.582 nan 8.240 nan 0.000 0.489 336 N N -0.119 118.579 118.700 -0.003 0.000 2.181 336 N HA 0.255 4.979 4.740 -0.027 0.000 0.207 336 N C 1.339 176.847 175.510 -0.002 0.000 1.182 336 N CA -0.240 52.809 53.050 -0.000 0.000 0.893 336 N CB -0.150 38.341 38.487 0.005 0.000 1.032 336 N HN 0.058 nan 8.380 nan 0.000 0.513 337 I N 1.654 122.215 120.570 -0.014 0.000 2.179 337 I HA -0.116 4.037 4.170 -0.027 0.000 0.242 337 I C 2.355 178.451 176.117 -0.034 0.000 1.088 337 I CA 0.841 62.126 61.300 -0.026 0.000 1.357 337 I CB -0.339 37.627 38.000 -0.056 0.000 1.051 337 I HN 0.287 nan 8.210 nan 0.000 0.409 338 A N -0.161 122.635 122.820 -0.040 0.000 1.917 338 A HA -0.290 4.014 4.320 -0.027 0.000 0.219 338 A C 2.074 179.660 177.584 0.003 0.000 1.182 338 A CA 2.362 54.382 52.037 -0.029 0.000 0.633 338 A CB -0.913 18.072 19.000 -0.025 0.000 0.819 338 A HN 0.474 nan 8.150 nan 0.000 0.448 339 D N -0.271 120.134 120.400 0.007 0.000 2.084 339 D HA -0.031 4.593 4.640 -0.027 0.000 0.196 339 D C 2.364 178.684 176.300 0.034 0.000 0.985 339 D CA 1.558 55.569 54.000 0.020 0.000 0.826 339 D CB -0.553 40.256 40.800 0.015 0.000 0.978 339 D HN 0.397 nan 8.370 nan 0.000 0.456 340 A N 1.056 123.897 122.820 0.035 0.000 1.917 340 A HA -0.144 4.160 4.320 -0.027 0.000 0.219 340 A C 2.190 179.823 177.584 0.082 0.000 1.182 340 A CA 2.490 54.557 52.037 0.051 0.000 0.633 340 A CB -0.600 18.429 19.000 0.049 0.000 0.819 340 A HN 0.261 nan 8.150 nan 0.000 0.448 341 A N 0.102 122.979 122.820 0.094 0.000 2.218 341 A HA 0.101 4.404 4.320 -0.027 0.000 0.209 341 A C 1.764 179.448 177.584 0.167 0.000 1.168 341 A CA 1.024 53.156 52.037 0.158 0.000 0.804 341 A CB -0.493 18.562 19.000 0.092 0.000 0.834 341 A HN 0.719 nan 8.150 nan 0.000 0.482 342 K N -0.480 119.983 120.400 0.105 0.000 2.520 342 K HA -0.038 4.266 4.320 -0.027 0.000 0.197 342 K C 1.335 178.001 176.600 0.110 0.000 1.043 342 K CA 1.349 57.693 56.287 0.096 0.000 0.944 342 K CB -0.477 32.057 32.500 0.057 0.000 0.770 342 K HN 0.211 nan 8.250 nan 0.000 0.480 343 G N 0.177 109.056 108.800 0.132 0.000 2.777 343 G HA2 -0.139 3.804 3.960 -0.027 0.000 0.211 343 G HA3 -0.139 3.804 3.960 -0.027 0.000 0.211 343 G C -0.288 174.714 174.900 0.171 0.000 1.149 343 G CA -0.369 44.802 45.100 0.119 0.000 0.785 343 G HN 0.351 nan 8.290 nan 0.000 0.536 344 Y N 2.381 122.735 120.300 0.091 0.000 2.511 344 Y HA 0.365 4.899 4.550 -0.027 0.000 0.332 344 Y C -0.188 175.760 175.900 0.081 0.000 1.177 344 Y CA -1.053 57.113 58.100 0.110 0.000 1.422 344 Y CB 0.773 39.373 38.460 0.234 0.000 1.271 344 Y HN -0.001 nan 8.280 nan 0.000 0.550 345 K N 6.849 126.975 120.400 -0.456 0.000 2.404 345 K HA 0.444 4.748 4.320 -0.027 0.000 0.257 345 K C -3.019 173.026 176.600 -0.925 0.000 1.026 345 K CA -2.502 53.502 56.287 -0.472 0.000 0.951 345 K CB 0.550 32.906 32.500 -0.242 0.000 1.203 345 K HN 0.302 nan 8.250 nan 0.000 0.446 346 P HA -0.085 nan 4.420 nan 0.000 0.261 346 P C -0.540 176.586 177.300 -0.290 0.000 1.173 346 P CA -0.118 62.667 63.100 -0.524 0.000 0.760 346 P CB 0.524 32.136 31.700 -0.147 0.000 0.783 347 V N 3.169 123.020 119.914 -0.105 0.000 2.532 347 V HA 0.521 4.625 4.120 -0.027 0.000 0.295 347 V C 0.570 176.689 176.094 0.043 0.000 1.041 347 V CA -0.771 61.531 62.300 0.003 0.000 0.926 347 V CB 1.457 33.337 31.823 0.095 0.000 0.992 347 V HN 0.678 nan 8.190 nan 0.000 0.457 348 A N 4.100 126.934 122.820 0.023 0.000 2.445 348 A HA 0.546 4.849 4.320 -0.027 0.000 0.242 348 A C -0.019 177.592 177.584 0.046 0.000 1.075 348 A CA -0.020 52.031 52.037 0.024 0.000 0.777 348 A CB 0.448 19.457 19.000 0.014 0.000 1.013 348 A HN 1.363 nan 8.150 nan 0.000 0.493 349 V N 0.023 119.954 119.914 0.028 0.000 2.612 349 V HA 0.669 4.772 4.120 -0.027 0.000 0.301 349 V C -2.386 173.720 176.094 0.021 0.000 1.046 349 V CA -2.348 59.965 62.300 0.021 0.000 0.946 349 V CB 1.000 32.786 31.823 -0.061 0.000 1.003 349 V HN 0.820 nan 8.190 nan 0.000 0.459 350 P HA 0.075 nan 4.420 nan 0.000 0.259 350 P C 0.130 177.441 177.300 0.020 0.000 1.163 350 P CA 0.578 63.706 63.100 0.048 0.000 0.760 350 P CB 0.218 31.973 31.700 0.091 0.000 0.762 351 A N 5.385 128.218 122.820 0.022 0.000 2.483 351 A HA 0.134 4.438 4.320 -0.027 0.000 0.238 351 A C 0.736 178.334 177.584 0.023 0.000 1.070 351 A CA -0.321 51.727 52.037 0.019 0.000 0.770 351 A CB 0.091 19.101 19.000 0.018 0.000 1.008 351 A HN 0.401 nan 8.150 nan 0.000 0.497 352 R N 2.067 122.583 120.500 0.027 0.000 2.401 352 R HA 0.175 4.499 4.340 -0.027 0.000 0.299 352 R C 0.037 176.354 176.300 0.029 0.000 1.064 352 R CA 0.038 56.160 56.100 0.037 0.000 1.000 352 R CB -0.684 29.645 30.300 0.049 0.000 0.973 352 R HN 0.743 nan 8.270 nan 0.000 0.438 353 T N 5.995 120.565 114.554 0.028 0.000 2.718 353 T HA -0.006 4.328 4.350 -0.027 0.000 0.265 353 T C -1.478 173.230 174.700 0.014 0.000 1.014 353 T CA -0.475 61.636 62.100 0.020 0.000 1.172 353 T CB -0.283 68.596 68.868 0.017 0.000 1.007 353 T HN 0.420 nan 8.240 nan 0.000 0.500 354 P HA 0.402 nan 4.420 nan 0.000 0.274 354 P C -0.066 177.234 177.300 -0.001 0.000 1.237 354 P CA -0.693 62.413 63.100 0.010 0.000 0.793 354 P CB 0.519 32.228 31.700 0.014 0.000 0.977 355 A N 2.733 125.552 122.820 -0.001 0.000 2.567 355 A HA -0.015 4.289 4.320 -0.027 0.000 0.236 355 A C 0.670 178.244 177.584 -0.017 0.000 1.088 355 A CA 0.150 52.178 52.037 -0.015 0.000 0.776 355 A CB -0.578 18.425 19.000 0.005 0.000 1.033 355 A HN 0.626 nan 8.150 nan 0.000 0.513 356 N N -0.008 118.663 118.700 -0.048 0.000 2.525 356 N HA 0.420 5.144 4.740 -0.027 0.000 0.271 356 N C 0.306 175.863 175.510 0.079 0.000 1.194 356 N CA 0.654 53.699 53.050 -0.009 0.000 0.964 356 N CB 1.217 39.635 38.487 -0.115 0.000 1.126 356 N HN 0.824 nan 8.380 nan 0.000 0.452 357 A N 1.060 123.944 122.820 0.107 0.000 2.425 357 A HA 0.484 4.787 4.320 -0.027 0.000 0.242 357 A C 0.324 177.995 177.584 0.145 0.000 1.077 357 A CA -0.459 51.640 52.037 0.103 0.000 0.781 357 A CB -0.001 19.051 19.000 0.088 0.000 1.020 357 A HN 0.706 nan 8.150 nan 0.000 0.494 358 A N 0.755 123.642 122.820 0.111 0.000 2.488 358 A HA 0.509 4.813 4.320 -0.027 0.000 0.249 358 A C 0.304 177.940 177.584 0.088 0.000 1.083 358 A CA 0.409 52.512 52.037 0.110 0.000 0.768 358 A CB -0.569 18.477 19.000 0.077 0.000 1.017 358 A HN 2.088 nan 8.150 nan 0.000 0.496 359 V N 0.150 120.110 119.914 0.077 0.000 3.130 359 V HA 0.777 4.881 4.120 -0.027 0.000 0.310 359 V C -2.646 173.443 176.094 -0.009 0.000 1.158 359 V CA -2.133 60.178 62.300 0.018 0.000 1.029 359 V CB 1.371 33.188 31.823 -0.011 0.000 1.057 359 V HN 0.816 nan 8.190 nan 0.000 0.436 360 P HA 0.246 nan 4.420 nan 0.000 0.268 360 P C 0.744 178.005 177.300 -0.064 0.000 1.205 360 P CA 0.340 63.420 63.100 -0.033 0.000 0.771 360 P CB 1.350 33.030 31.700 -0.033 0.000 0.858 361 A N 2.867 125.660 122.820 -0.045 0.000 2.131 361 A HA -0.141 4.162 4.320 -0.027 0.000 0.220 361 A C 2.027 179.563 177.584 -0.081 0.000 1.158 361 A CA 1.706 53.708 52.037 -0.059 0.000 0.665 361 A CB -1.089 17.897 19.000 -0.024 0.000 0.795 361 A HN 0.617 nan 8.150 nan 0.000 0.460 362 S N -0.267 115.388 115.700 -0.074 0.000 2.428 362 S HA -0.032 4.422 4.470 -0.027 0.000 0.230 362 S C 0.948 175.487 174.600 -0.101 0.000 1.014 362 S CA 0.635 58.793 58.200 -0.070 0.000 0.957 362 S CB -0.632 62.538 63.200 -0.052 0.000 0.784 362 S HN 0.530 nan 8.310 nan 0.000 0.499 363 T N 5.588 120.058 114.554 -0.139 0.000 2.800 363 T HA 0.060 4.394 4.350 -0.027 0.000 0.283 363 T C -2.167 172.406 174.700 -0.213 0.000 0.999 363 T CA -0.484 61.506 62.100 -0.183 0.000 1.176 363 T CB 0.028 68.756 68.868 -0.233 0.000 0.973 363 T HN 0.281 nan 8.240 nan 0.000 0.519 364 P HA 0.111 nan 4.420 nan 0.000 0.268 364 P C -0.043 177.143 177.300 -0.190 0.000 1.205 364 P CA -0.419 62.603 63.100 -0.130 0.000 0.771 364 P CB 0.753 32.408 31.700 -0.076 0.000 0.858 365 L N 3.273 124.391 121.223 -0.175 0.000 2.453 365 L HA 0.123 4.447 4.340 -0.027 0.000 0.272 365 L C 1.163 177.963 176.870 -0.116 0.000 1.182 365 L CA 0.594 55.314 54.840 -0.201 0.000 0.858 365 L CB 0.008 41.996 42.059 -0.119 0.000 1.120 365 L HN 0.322 nan 8.230 nan 0.000 0.474 366 K N 3.046 123.391 120.400 -0.092 0.000 2.426 366 K HA 0.245 4.549 4.320 -0.027 0.000 0.251 366 K C 0.241 176.837 176.600 -0.007 0.000 0.941 366 K CA -0.710 55.569 56.287 -0.013 0.000 0.808 366 K CB 2.183 34.693 32.500 0.017 0.000 1.265 366 K HN 0.539 nan 8.250 nan 0.000 0.432 367 Q N 0.717 120.522 119.800 0.008 0.000 2.050 367 Q HA -0.223 4.100 4.340 -0.027 0.000 0.202 367 Q C 1.242 177.278 176.000 0.060 0.000 0.980 367 Q CA 1.720 57.509 55.803 -0.023 0.000 0.840 367 Q CB 0.130 29.020 28.738 0.252 0.000 0.898 367 Q HN 0.486 nan 8.270 nan 0.000 0.424 368 E N 0.421 120.716 120.200 0.157 0.000 2.070 368 E HA -0.219 4.114 4.350 -0.027 0.000 0.197 368 E C 1.379 178.035 176.600 0.094 0.000 1.004 368 E CA 1.533 58.030 56.400 0.162 0.000 0.805 368 E CB -0.420 29.354 29.700 0.123 0.000 0.744 368 E HN 0.441 nan 8.360 nan 0.000 0.451 369 W N 0.577 121.820 121.300 -0.095 0.000 2.332 369 W HA -0.252 4.391 4.660 -0.027 0.000 0.321 369 W C 2.419 178.780 176.519 -0.264 0.000 1.219 369 W CA 2.651 59.909 57.345 -0.144 0.000 1.277 369 W CB -0.664 28.697 29.460 -0.164 0.000 1.161 369 W HN 0.144 nan 8.180 nan 0.000 0.476 370 M N -0.447 119.051 119.600 -0.170 0.000 2.110 370 M HA -0.295 4.169 4.480 -0.027 0.000 0.257 370 M C 2.023 177.841 176.300 -0.802 0.000 1.071 370 M CA 2.982 57.850 55.300 -0.719 0.000 1.096 370 M CB -0.911 31.167 32.600 -0.871 0.000 1.300 370 M HN 0.236 nan 8.290 nan 0.000 0.411 371 W N 0.300 121.418 121.300 -0.303 0.000 2.342 371 W HA -0.230 4.414 4.660 -0.027 0.000 0.297 371 W C 2.433 178.823 176.519 -0.216 0.000 1.213 371 W CA 0.956 58.150 57.345 -0.252 0.000 1.251 371 W CB -0.834 28.522 29.460 -0.173 0.000 1.136 371 W HN 0.445 nan 8.180 nan 0.000 0.526 372 N N 1.029 119.693 118.700 -0.060 0.000 2.051 372 N HA -0.229 4.495 4.740 -0.027 0.000 0.192 372 N C 1.750 177.141 175.510 -0.198 0.000 1.049 372 N CA 2.046 55.027 53.050 -0.114 0.000 0.845 372 N CB -0.858 37.537 38.487 -0.154 0.000 1.031 372 N HN 0.096 nan 8.380 nan 0.000 0.425 373 Q N 0.345 119.870 119.800 -0.458 0.000 2.197 373 Q HA -0.159 4.164 4.340 -0.027 0.000 0.211 373 Q C 2.139 178.094 176.000 -0.074 0.000 0.993 373 Q CA 1.633 57.125 55.803 -0.518 0.000 0.883 373 Q CB -0.693 27.207 28.738 -1.397 0.000 0.916 373 Q HN 0.483 nan 8.270 nan 0.000 0.418 374 L N -0.450 120.786 121.223 0.021 0.000 2.013 374 L HA -0.100 4.224 4.340 -0.027 0.000 0.212 374 L C 2.058 179.102 176.870 0.290 0.000 1.073 374 L CA 2.513 57.532 54.840 0.299 0.000 0.753 374 L CB -1.201 40.966 42.059 0.180 0.000 0.890 374 L HN 0.310 nan 8.230 nan 0.000 0.432 375 G N -0.619 108.289 108.800 0.180 0.000 2.517 375 G HA2 -0.371 3.573 3.960 -0.027 0.000 0.222 375 G HA3 -0.371 3.573 3.960 -0.027 0.000 0.222 375 G C 1.420 176.399 174.900 0.132 0.000 1.109 375 G CA 1.081 46.277 45.100 0.159 0.000 0.746 375 G HN 0.514 nan 8.290 nan 0.000 0.576 376 N N -0.179 118.608 118.700 0.145 0.000 2.244 376 N HA -0.073 4.650 4.740 -0.027 0.000 0.183 376 N C 1.684 177.301 175.510 0.179 0.000 1.016 376 N CA 0.731 53.864 53.050 0.138 0.000 0.866 376 N CB -0.394 38.178 38.487 0.142 0.000 0.980 376 N HN 0.393 nan 8.380 nan 0.000 0.430 377 F N 1.720 121.719 119.950 0.082 0.000 2.234 377 F HA 0.166 4.676 4.527 -0.028 0.000 0.296 377 F C 0.720 176.526 175.800 0.010 0.000 1.089 377 F CA 0.136 58.168 58.000 0.054 0.000 1.343 377 F CB -0.258 38.786 39.000 0.073 0.000 1.040 377 F HN -0.163 nan 8.300 nan 0.000 0.498 378 L N 1.894 123.018 121.223 -0.165 0.000 2.467 378 L HA 0.162 4.485 4.340 -0.027 0.000 0.270 378 L C 0.041 176.757 176.870 -0.256 0.000 1.205 378 L CA -0.054 54.593 54.840 -0.322 0.000 0.828 378 L CB 0.565 42.551 42.059 -0.122 0.000 1.101 378 L HN 0.253 nan 8.230 nan 0.000 0.479 379 Q N 0.767 120.393 119.800 -0.289 0.000 2.456 379 Q HA 0.425 4.749 4.340 -0.027 0.000 0.283 379 Q C -1.306 174.595 176.000 -0.165 0.000 1.084 379 Q CA -1.019 54.667 55.803 -0.195 0.000 0.801 379 Q CB 1.894 30.504 28.738 -0.213 0.000 1.434 379 Q HN 0.478 nan 8.270 nan 0.000 0.419 380 E N -0.007 120.124 120.200 -0.116 0.000 2.414 380 E HA 0.273 4.607 4.350 -0.027 0.000 0.263 380 E C 0.359 176.903 176.600 -0.093 0.000 1.000 380 E CA 1.001 57.341 56.400 -0.100 0.000 0.914 380 E CB 0.439 30.093 29.700 -0.075 0.000 0.948 380 E HN 0.958 nan 8.360 nan 0.000 0.444 381 G N 2.900 111.651 108.800 -0.081 0.000 2.175 381 G HA2 -0.204 3.740 3.960 -0.027 0.000 0.244 381 G HA3 -0.204 3.740 3.960 -0.027 0.000 0.244 381 G C -0.156 174.755 174.900 0.020 0.000 0.982 381 G CA -0.132 44.957 45.100 -0.019 0.000 0.641 381 G HN 0.544 nan 8.290 nan 0.000 0.527 382 D N -0.031 120.330 120.400 -0.064 0.000 2.372 382 D HA 0.484 5.108 4.640 -0.027 0.000 0.243 382 D C 0.485 176.776 176.300 -0.015 0.000 1.121 382 D CA 0.077 54.017 54.000 -0.100 0.000 0.898 382 D CB 1.700 42.362 40.800 -0.231 0.000 1.202 382 D HN 0.152 nan 8.370 nan 0.000 0.428 383 V N 2.544 122.428 119.914 -0.050 0.000 2.328 383 V HA 0.282 4.386 4.120 -0.027 0.000 0.278 383 V C -0.038 176.029 176.094 -0.045 0.000 1.021 383 V CA -0.704 61.551 62.300 -0.074 0.000 0.838 383 V CB 1.572 33.274 31.823 -0.202 0.000 0.999 383 V HN 0.215 nan 8.190 nan 0.000 0.447 384 V N 7.022 126.915 119.914 -0.034 0.000 2.378 384 V HA 0.522 4.625 4.120 -0.027 0.000 0.288 384 V C -0.183 175.997 176.094 0.143 0.000 1.016 384 V CA -0.332 62.001 62.300 0.055 0.000 0.840 384 V CB 1.638 33.415 31.823 -0.076 0.000 0.994 384 V HN 0.686 nan 8.190 nan 0.000 0.431 385 I N 4.043 124.727 120.570 0.190 0.000 2.404 385 I HA 0.816 4.969 4.170 -0.027 0.000 0.293 385 I C 0.172 176.451 176.117 0.269 0.000 0.992 385 I CA -0.545 60.865 61.300 0.184 0.000 1.149 385 I CB 1.958 40.019 38.000 0.102 0.000 1.315 385 I HN 0.654 nan 8.210 nan 0.000 0.446 386 A N 4.683 127.644 122.820 0.234 0.000 2.359 386 A HA 0.636 4.940 4.320 -0.027 0.000 0.303 386 A C -0.746 176.940 177.584 0.170 0.000 1.066 386 A CA -0.546 51.633 52.037 0.237 0.000 0.730 386 A CB 1.476 20.561 19.000 0.142 0.000 1.211 386 A HN 0.658 nan 8.150 nan 0.000 0.439 387 E N 1.227 121.540 120.200 0.187 0.000 2.343 387 E HA 0.448 4.781 4.350 -0.027 0.000 0.269 387 E C -0.025 176.627 176.600 0.087 0.000 1.047 387 E CA 0.097 56.581 56.400 0.140 0.000 0.874 387 E CB 0.667 30.451 29.700 0.140 0.000 1.033 387 E HN 0.547 nan 8.360 nan 0.000 0.409 388 T N 2.786 117.368 114.554 0.048 0.000 2.867 388 T HA 0.498 4.831 4.350 -0.027 0.000 0.297 388 T C 0.277 175.009 174.700 0.053 0.000 0.989 388 T CA 0.679 62.782 62.100 0.006 0.000 1.159 388 T CB 0.150 69.002 68.868 -0.027 0.000 0.928 388 T HN 0.673 nan 8.240 nan 0.000 0.538 389 G N 2.397 111.261 108.800 0.106 0.000 2.373 389 G HA2 0.150 4.093 3.960 -0.027 0.000 0.250 389 G HA3 0.150 4.093 3.960 -0.027 0.000 0.250 389 G C 0.774 175.825 174.900 0.252 0.000 1.304 389 G CA -0.008 45.181 45.100 0.148 0.000 0.948 389 G HN 0.643 nan 8.290 nan 0.000 0.474 390 T N -1.299 113.386 114.554 0.219 0.000 3.085 390 T HA 0.149 4.483 4.350 -0.027 0.000 0.263 390 T C 2.224 177.035 174.700 0.185 0.000 1.127 390 T CA 2.193 64.433 62.100 0.233 0.000 1.103 390 T CB 0.063 69.038 68.868 0.178 0.000 0.921 390 T HN 0.433 nan 8.240 nan 0.000 0.510 391 S N 1.628 117.433 115.700 0.174 0.000 2.356 391 S HA 0.090 4.544 4.470 -0.027 0.000 0.223 391 S C 2.546 177.045 174.600 -0.169 0.000 1.032 391 S CA 1.072 59.336 58.200 0.108 0.000 1.005 391 S CB -0.753 62.608 63.200 0.269 0.000 0.867 391 S HN 0.774 nan 8.310 nan 0.000 0.449 392 A N 0.130 122.880 122.820 -0.117 0.000 2.015 392 A HA 0.033 4.336 4.320 -0.027 0.000 0.219 392 A C 1.774 179.096 177.584 -0.438 0.000 1.163 392 A CA 1.103 52.979 52.037 -0.268 0.000 0.646 392 A CB -0.678 18.152 19.000 -0.283 0.000 0.806 392 A HN 0.486 nan 8.150 nan 0.000 0.448 393 F N 0.003 119.798 119.950 -0.259 0.000 2.128 393 F HA 0.072 4.582 4.527 -0.027 0.000 0.295 393 F C 2.653 178.172 175.800 -0.469 0.000 1.100 393 F CA 1.225 59.061 58.000 -0.272 0.000 1.260 393 F CB -0.840 38.053 39.000 -0.179 0.000 1.009 393 F HN 0.270 nan 8.300 nan 0.000 0.476 394 G N -0.259 108.166 108.800 -0.625 0.000 2.408 394 G HA2 -0.234 3.709 3.960 -0.027 0.000 0.217 394 G HA3 -0.234 3.709 3.960 -0.027 0.000 0.217 394 G C 1.651 175.623 174.900 -1.547 0.000 1.150 394 G CA 0.704 44.869 45.100 -1.559 0.000 0.776 394 G HN 0.297 nan 8.290 nan 0.000 0.542 395 I N 1.481 121.282 120.570 -1.283 0.000 2.423 395 I HA -0.141 4.012 4.170 -0.027 0.000 0.254 395 I C 1.953 177.852 176.117 -0.364 0.000 1.151 395 I CA 0.867 61.787 61.300 -0.632 0.000 1.421 395 I CB -0.120 37.680 38.000 -0.333 0.000 1.079 395 I HN 0.020 nan 8.210 nan 0.000 0.431 396 N N 0.343 118.828 118.700 -0.357 0.000 2.443 396 N HA -0.193 4.531 4.740 -0.027 0.000 0.184 396 N C 1.498 176.893 175.510 -0.192 0.000 1.037 396 N CA 0.973 53.873 53.050 -0.251 0.000 0.896 396 N CB -0.169 38.196 38.487 -0.202 0.000 0.959 396 N HN 0.604 nan 8.380 nan 0.000 0.442 397 Q N -0.742 118.945 119.800 -0.189 0.000 2.356 397 Q HA 0.131 4.455 4.340 -0.027 0.000 0.205 397 Q C -0.265 175.717 176.000 -0.030 0.000 0.901 397 Q CA 0.284 56.040 55.803 -0.079 0.000 0.938 397 Q CB 0.641 29.357 28.738 -0.036 0.000 1.081 397 Q HN 0.096 nan 8.270 nan 0.000 0.517 398 T N 1.376 115.898 114.554 -0.053 0.000 2.771 398 T HA 0.213 4.546 4.350 -0.027 0.000 0.291 398 T C -0.149 174.497 174.700 -0.089 0.000 0.954 398 T CA -0.302 61.815 62.100 0.029 0.000 1.045 398 T CB 1.360 70.350 68.868 0.203 0.000 0.917 398 T HN -0.063 nan 8.240 nan 0.000 0.484 399 T N 5.165 119.730 114.554 0.019 0.000 2.723 399 T HA 0.368 4.702 4.350 -0.027 0.000 0.297 399 T C -0.162 174.644 174.700 0.177 0.000 0.925 399 T CA -0.451 61.663 62.100 0.023 0.000 1.030 399 T CB -0.223 68.673 68.868 0.047 0.000 0.905 399 T HN 0.256 nan 8.240 nan 0.000 0.502 400 F N 4.277 124.200 119.950 -0.044 0.000 2.371 400 F HA 0.447 4.958 4.527 -0.028 0.000 0.329 400 F C -1.753 173.996 175.800 -0.085 0.000 1.107 400 F CA -3.151 54.814 58.000 -0.058 0.000 1.137 400 F CB 0.246 39.198 39.000 -0.079 0.000 1.214 400 F HN 0.319 nan 8.300 nan 0.000 0.536 401 P HA 0.090 nan 4.420 nan 0.000 0.286 401 P C -0.429 176.862 177.300 -0.014 0.000 1.293 401 P CA -0.418 62.687 63.100 0.008 0.000 0.770 401 P CB 0.503 32.181 31.700 -0.038 0.000 1.206 402 N N 0.639 119.313 118.700 -0.043 0.000 2.444 402 N HA 0.000 4.724 4.740 -0.027 0.000 0.255 402 N C 0.569 176.027 175.510 -0.088 0.000 1.255 402 N CA 0.117 53.129 53.050 -0.063 0.000 0.933 402 N CB -0.701 37.755 38.487 -0.052 0.000 1.143 402 N HN 0.575 nan 8.380 nan 0.000 0.453 403 N N -0.670 117.959 118.700 -0.119 0.000 2.727 403 N HA -0.202 4.522 4.740 -0.027 0.000 0.249 403 N C -1.287 174.103 175.510 -0.200 0.000 1.048 403 N CA 0.414 53.357 53.050 -0.178 0.000 0.714 403 N CB -0.675 37.724 38.487 -0.148 0.000 0.959 403 N HN 0.450 nan 8.380 nan 0.000 0.544 404 T N 1.723 116.172 114.554 -0.175 0.000 2.807 404 T HA 0.442 4.776 4.350 -0.027 0.000 0.279 404 T C -0.762 173.884 174.700 -0.089 0.000 0.993 404 T CA -0.403 61.595 62.100 -0.171 0.000 0.970 404 T CB 0.747 69.406 68.868 -0.348 0.000 0.950 404 T HN 0.151 nan 8.240 nan 0.000 0.441 405 Y N 0.832 121.051 120.300 -0.135 0.000 2.323 405 Y HA 0.649 5.182 4.550 -0.027 0.000 0.331 405 Y C 0.811 176.697 175.900 -0.024 0.000 1.092 405 Y CA -1.617 56.455 58.100 -0.047 0.000 1.150 405 Y CB 0.757 39.195 38.460 -0.037 0.000 1.200 405 Y HN 0.801 nan 8.280 nan 0.000 0.472 406 G N 2.702 111.660 108.800 0.263 0.000 2.388 406 G HA2 0.695 4.639 3.960 -0.027 0.000 0.330 406 G HA3 0.695 4.639 3.960 -0.027 0.000 0.330 406 G C -1.165 173.851 174.900 0.192 0.000 1.142 406 G CA -0.799 44.468 45.100 0.277 0.000 0.908 406 G HN 0.610 nan 8.290 nan 0.000 0.473 407 I N 0.982 121.654 120.570 0.171 0.000 2.478 407 I HA 0.458 4.611 4.170 -0.027 0.000 0.287 407 I C -0.298 175.914 176.117 0.158 0.000 1.042 407 I CA -0.514 60.881 61.300 0.159 0.000 1.067 407 I CB 2.346 40.444 38.000 0.163 0.000 1.233 407 I HN 0.419 nan 8.210 nan 0.000 0.431 408 S N 4.602 120.372 115.700 0.117 0.000 2.652 408 S HA 0.180 4.633 4.470 -0.027 0.000 0.273 408 S C -0.572 174.027 174.600 -0.001 0.000 1.172 408 S CA -0.497 57.738 58.200 0.059 0.000 1.009 408 S CB 1.396 64.596 63.200 0.001 0.000 1.094 408 S HN 0.672 nan 8.310 nan 0.000 0.471 409 Q N 4.399 124.174 119.800 -0.042 0.000 3.179 409 Q HA 0.157 4.481 4.340 -0.027 0.000 0.328 409 Q C 0.970 176.905 176.000 -0.108 0.000 1.336 409 Q CA -0.116 55.589 55.803 -0.165 0.000 0.939 409 Q CB -0.220 28.238 28.738 -0.467 0.000 1.658 409 Q HN 0.716 nan 8.270 nan 0.000 0.486 410 V N 1.182 121.045 119.914 -0.085 0.000 2.407 410 V HA -0.272 3.831 4.120 -0.027 0.000 0.248 410 V C 1.858 177.923 176.094 -0.048 0.000 1.055 410 V CA 1.485 63.727 62.300 -0.096 0.000 1.049 410 V CB -0.443 31.313 31.823 -0.112 0.000 0.662 410 V HN 0.563 nan 8.190 nan 0.000 0.455 411 L N -0.511 120.715 121.223 0.005 0.000 2.022 411 L HA -0.056 4.268 4.340 -0.027 0.000 0.204 411 L C 2.195 179.137 176.870 0.120 0.000 1.076 411 L CA 2.018 56.898 54.840 0.065 0.000 0.749 411 L CB -0.989 41.130 42.059 0.099 0.000 0.903 411 L HN 0.438 nan 8.230 nan 0.000 0.439 412 W N 1.248 122.495 121.300 -0.090 0.000 2.335 412 W HA -0.099 4.543 4.660 -0.029 0.000 0.311 412 W C 1.142 177.603 176.519 -0.097 0.000 1.213 412 W CA 1.673 58.964 57.345 -0.091 0.000 1.274 412 W CB -0.322 29.068 29.460 -0.117 0.000 1.148 412 W HN 0.497 nan 8.180 nan 0.000 0.498 413 G N 1.597 110.328 108.800 -0.114 0.000 2.359 413 G HA2 -0.273 3.670 3.960 -0.027 0.000 0.298 413 G HA3 -0.273 3.670 3.960 -0.027 0.000 0.298 413 G C -0.268 174.473 174.900 -0.266 0.000 1.030 413 G CA 0.558 45.544 45.100 -0.190 0.000 1.149 413 G HN 0.319 nan 8.290 nan 0.000 0.512 414 S N -0.038 115.546 115.700 -0.194 0.000 2.423 414 S HA 0.475 4.929 4.470 -0.027 0.000 0.317 414 S C 1.951 176.529 174.600 -0.036 0.000 1.065 414 S CA -0.218 57.913 58.200 -0.115 0.000 1.111 414 S CB 0.084 63.335 63.200 0.085 0.000 0.968 414 S HN 1.157 nan 8.310 nan 0.000 0.474 415 I N 3.387 123.931 120.570 -0.044 0.000 2.381 415 I HA -0.004 4.150 4.170 -0.027 0.000 0.255 415 I C 1.756 177.893 176.117 0.032 0.000 1.140 415 I CA 1.866 63.159 61.300 -0.013 0.000 1.404 415 I CB -0.514 37.449 38.000 -0.062 0.000 1.075 415 I HN 0.631 nan 8.210 nan 0.000 0.433 416 G N 0.057 108.900 108.800 0.073 0.000 2.623 416 G HA2 -0.139 3.804 3.960 -0.027 0.000 0.214 416 G HA3 -0.139 3.804 3.960 -0.027 0.000 0.214 416 G C 1.231 176.088 174.900 -0.072 0.000 1.138 416 G CA 0.285 45.447 45.100 0.104 0.000 0.794 416 G HN 0.477 nan 8.290 nan 0.000 0.535 417 F N 3.189 122.784 119.950 -0.592 0.000 2.104 417 F HA -0.404 4.107 4.527 -0.027 0.000 0.289 417 F C 2.974 178.534 175.800 -0.400 0.000 1.115 417 F CA 3.193 60.628 58.000 -0.943 0.000 1.273 417 F CB -0.866 37.758 39.000 -0.628 0.000 0.933 417 F HN 0.248 nan 8.300 nan 0.000 0.517 418 T N -3.024 111.305 114.554 -0.375 0.000 2.897 418 T HA -0.189 4.145 4.350 -0.027 0.000 0.271 418 T C 1.739 176.307 174.700 -0.220 0.000 1.084 418 T CA 1.918 63.821 62.100 -0.327 0.000 1.123 418 T CB -1.205 67.647 68.868 -0.027 0.000 0.865 418 T HN 0.477 nan 8.240 nan 0.000 0.496 419 T N 1.148 115.631 114.554 -0.119 0.000 2.777 419 T HA 0.121 4.455 4.350 -0.027 0.000 0.266 419 T C 2.298 176.947 174.700 -0.084 0.000 1.040 419 T CA 1.106 63.183 62.100 -0.038 0.000 1.141 419 T CB -0.963 67.935 68.868 0.050 0.000 0.868 419 T HN 0.596 nan 8.240 nan 0.000 0.444 420 G N 1.162 109.899 108.800 -0.106 0.000 2.394 420 G HA2 0.042 3.985 3.960 -0.027 0.000 0.215 420 G HA3 0.042 3.985 3.960 -0.027 0.000 0.215 420 G C 1.863 176.605 174.900 -0.263 0.000 1.165 420 G CA 0.741 45.783 45.100 -0.098 0.000 0.784 420 G HN 0.564 nan 8.290 nan 0.000 0.535 421 A N 0.455 122.952 122.820 -0.539 0.000 1.940 421 A HA -0.043 4.261 4.320 -0.027 0.000 0.219 421 A C 2.511 179.938 177.584 -0.261 0.000 1.176 421 A CA 2.473 54.178 52.037 -0.554 0.000 0.631 421 A CB -0.967 17.482 19.000 -0.917 0.000 0.814 421 A HN 0.293 nan 8.150 nan 0.000 0.446 422 T N 0.339 114.770 114.554 -0.204 0.000 2.788 422 T HA -0.112 4.221 4.350 -0.027 0.000 0.268 422 T C 1.837 176.481 174.700 -0.093 0.000 1.044 422 T CA 1.217 63.253 62.100 -0.107 0.000 1.139 422 T CB -0.299 68.534 68.868 -0.057 0.000 0.867 422 T HN 0.360 nan 8.240 nan 0.000 0.454 423 L N 1.179 122.344 121.223 -0.097 0.000 2.017 423 L HA -0.035 4.289 4.340 -0.027 0.000 0.208 423 L C 2.615 179.497 176.870 0.019 0.000 1.073 423 L CA 2.292 57.073 54.840 -0.099 0.000 0.745 423 L CB -1.517 40.513 42.059 -0.050 0.000 0.894 423 L HN 0.377 nan 8.230 nan 0.000 0.432 424 G N -0.516 108.301 108.800 0.029 0.000 2.459 424 G HA2 -0.315 3.629 3.960 -0.027 0.000 0.217 424 G HA3 -0.315 3.629 3.960 -0.027 0.000 0.217 424 G C 1.696 176.737 174.900 0.234 0.000 1.183 424 G CA 1.147 46.339 45.100 0.154 0.000 0.776 424 G HN 0.608 nan 8.290 nan 0.000 0.552 425 A N 1.024 123.863 122.820 0.031 0.000 1.940 425 A HA 0.215 4.519 4.320 -0.027 0.000 0.219 425 A C 2.788 180.342 177.584 -0.050 0.000 1.176 425 A CA 2.414 54.415 52.037 -0.059 0.000 0.631 425 A CB -0.708 18.230 19.000 -0.105 0.000 0.814 425 A HN 0.847 nan 8.150 nan 0.000 0.446 426 A N -1.537 121.269 122.820 -0.024 0.000 1.929 426 A HA 0.117 4.421 4.320 -0.027 0.000 0.216 426 A C 1.908 179.510 177.584 0.030 0.000 1.176 426 A CA 1.307 53.317 52.037 -0.046 0.000 0.628 426 A CB -0.604 18.326 19.000 -0.117 0.000 0.816 426 A HN 0.410 nan 8.150 nan 0.000 0.444 427 F N 0.273 120.255 119.950 0.053 0.000 2.113 427 F HA -0.048 4.463 4.527 -0.028 0.000 0.297 427 F C 2.782 178.617 175.800 0.058 0.000 1.103 427 F CA 0.691 58.740 58.000 0.082 0.000 1.248 427 F CB -0.764 38.352 39.000 0.194 0.000 0.999 427 F HN 0.259 nan 8.300 nan 0.000 0.475 428 A N -0.321 122.592 122.820 0.155 0.000 1.898 428 A HA 0.026 4.329 4.320 -0.027 0.000 0.216 428 A C 2.420 179.941 177.584 -0.105 0.000 1.181 428 A CA 1.509 53.422 52.037 -0.207 0.000 0.620 428 A CB -1.302 17.324 19.000 -0.624 0.000 0.819 428 A HN 0.287 nan 8.150 nan 0.000 0.442 429 A N -0.066 122.703 122.820 -0.085 0.000 1.917 429 A HA -0.255 4.048 4.320 -0.027 0.000 0.219 429 A C 2.034 179.614 177.584 -0.007 0.000 1.182 429 A CA 1.971 53.968 52.037 -0.067 0.000 0.633 429 A CB -0.636 18.320 19.000 -0.072 0.000 0.819 429 A HN 0.687 nan 8.150 nan 0.000 0.448 430 E N -0.132 120.085 120.200 0.029 0.000 2.118 430 E HA -0.247 4.086 4.350 -0.027 0.000 0.195 430 E C 1.809 178.439 176.600 0.050 0.000 0.992 430 E CA 1.538 57.972 56.400 0.056 0.000 0.804 430 E CB -0.145 29.617 29.700 0.103 0.000 0.741 430 E HN 0.783 nan 8.360 nan 0.000 0.458 431 E N -0.066 120.161 120.200 0.044 0.000 2.208 431 E HA -0.098 4.236 4.350 -0.027 0.000 0.193 431 E C 2.059 178.666 176.600 0.012 0.000 0.988 431 E CA 0.708 57.124 56.400 0.028 0.000 0.828 431 E CB 0.105 29.823 29.700 0.029 0.000 0.763 431 E HN 0.401 nan 8.360 nan 0.000 0.478 432 I N 0.421 120.993 120.570 0.003 0.000 2.270 432 I HA -0.070 4.084 4.170 -0.027 0.000 0.239 432 I C 0.513 176.642 176.117 0.020 0.000 1.080 432 I CA 0.681 61.988 61.300 0.012 0.000 1.383 432 I CB 0.362 38.377 38.000 0.026 0.000 1.097 432 I HN -0.027 nan 8.210 nan 0.000 0.420 433 D N -0.358 120.055 120.400 0.022 0.000 2.419 433 D HA 0.136 4.759 4.640 -0.027 0.000 0.219 433 D C -2.198 174.116 176.300 0.022 0.000 1.349 433 D CA -1.363 52.650 54.000 0.022 0.000 0.964 433 D CB 1.412 42.224 40.800 0.021 0.000 1.463 433 D HN -0.197 nan 8.370 nan 0.000 0.573 434 P HA -0.160 nan 4.420 nan 0.000 0.224 434 P C 0.600 177.915 177.300 0.024 0.000 1.142 434 P CA 0.847 63.965 63.100 0.029 0.000 0.778 434 P CB 0.333 32.054 31.700 0.034 0.000 0.764 435 K N -0.506 119.905 120.400 0.018 0.000 2.400 435 K HA 0.062 4.366 4.320 -0.027 0.000 0.194 435 K C 0.816 177.421 176.600 0.007 0.000 1.033 435 K CA 0.423 56.718 56.287 0.013 0.000 1.021 435 K CB -0.165 32.339 32.500 0.007 0.000 0.808 435 K HN 0.235 nan 8.250 nan 0.000 0.505 436 K N 1.269 121.675 120.400 0.011 0.000 2.237 436 K HA 0.177 4.481 4.320 -0.027 0.000 0.270 436 K C -0.162 176.440 176.600 0.004 0.000 1.015 436 K CA -0.168 56.121 56.287 0.004 0.000 0.949 436 K CB 0.742 33.253 32.500 0.018 0.000 0.976 436 K HN -0.015 nan 8.250 nan 0.000 0.472 437 R N 1.144 121.635 120.500 -0.016 0.000 2.404 437 R HA 0.322 4.646 4.340 -0.027 0.000 0.291 437 R C -0.710 175.585 176.300 -0.008 0.000 1.025 437 R CA -0.769 55.331 56.100 0.000 0.000 0.991 437 R CB 1.063 31.292 30.300 -0.119 0.000 1.053 437 R HN 0.233 nan 8.270 nan 0.000 0.479 438 V N 5.201 125.158 119.914 0.071 0.000 2.326 438 V HA 0.354 4.458 4.120 -0.027 0.000 0.281 438 V C -0.180 175.998 176.094 0.140 0.000 1.015 438 V CA -0.570 61.761 62.300 0.052 0.000 0.823 438 V CB 1.184 33.014 31.823 0.011 0.000 1.009 438 V HN 0.602 nan 8.190 nan 0.000 0.436 439 I N 5.661 126.298 120.570 0.112 0.000 2.339 439 I HA 0.445 4.599 4.170 -0.027 0.000 0.290 439 I C -0.340 175.901 176.117 0.206 0.000 0.994 439 I CA -0.287 61.143 61.300 0.218 0.000 1.191 439 I CB 1.657 39.796 38.000 0.232 0.000 1.343 439 I HN 0.387 nan 8.210 nan 0.000 0.458 440 L N 6.373 127.706 121.223 0.184 0.000 2.325 440 L HA 0.550 4.874 4.340 -0.027 0.000 0.278 440 L C -1.430 175.461 176.870 0.034 0.000 1.023 440 L CA -0.585 54.344 54.840 0.149 0.000 0.811 440 L CB 1.592 43.716 42.059 0.108 0.000 1.249 440 L HN 0.460 nan 8.230 nan 0.000 0.431 441 F N 5.668 125.793 119.950 0.291 0.000 2.359 441 F HA 0.449 4.959 4.527 -0.028 0.000 0.369 441 F C 0.101 176.052 175.800 0.252 0.000 1.084 441 F CA -0.264 57.927 58.000 0.318 0.000 1.096 441 F CB 1.248 40.488 39.000 0.399 0.000 1.335 441 F HN 0.240 nan 8.300 nan 0.000 0.457 442 I N 1.655 122.405 120.570 0.301 0.000 2.569 442 I HA 0.705 4.858 4.170 -0.027 0.000 0.296 442 I C 0.382 176.611 176.117 0.187 0.000 1.028 442 I CA -0.598 60.833 61.300 0.219 0.000 1.082 442 I CB 1.496 39.582 38.000 0.142 0.000 1.264 442 I HN 0.546 nan 8.210 nan 0.000 0.429 443 G N 3.976 112.876 108.800 0.166 0.000 2.491 443 G HA2 0.043 3.986 3.960 -0.027 0.000 0.242 443 G HA3 0.043 3.986 3.960 -0.027 0.000 0.242 443 G C 0.713 175.663 174.900 0.084 0.000 1.266 443 G CA 0.114 45.296 45.100 0.137 0.000 0.844 443 G HN 0.840 nan 8.290 nan 0.000 0.571 444 D N 1.254 121.686 120.400 0.054 0.000 2.158 444 D HA -0.141 4.483 4.640 -0.027 0.000 0.197 444 D C 2.116 178.436 176.300 0.033 0.000 0.995 444 D CA 1.622 55.637 54.000 0.025 0.000 0.846 444 D CB -0.814 40.028 40.800 0.071 0.000 0.941 444 D HN 0.470 nan 8.370 nan 0.000 0.456 445 G N -0.326 108.541 108.800 0.111 0.000 2.430 445 G HA2 -0.139 3.804 3.960 -0.027 0.000 0.216 445 G HA3 -0.139 3.804 3.960 -0.027 0.000 0.216 445 G C 1.734 176.730 174.900 0.160 0.000 1.146 445 G CA 0.762 45.997 45.100 0.224 0.000 0.793 445 G HN 0.386 nan 8.290 nan 0.000 0.537 446 S N 0.434 116.195 115.700 0.101 0.000 2.406 446 S HA 0.085 4.539 4.470 -0.027 0.000 0.224 446 S C 2.061 176.712 174.600 0.086 0.000 1.030 446 S CA 0.046 58.289 58.200 0.072 0.000 0.958 446 S CB -0.160 63.078 63.200 0.063 0.000 0.811 446 S HN 0.211 nan 8.310 nan 0.000 0.489 447 L N 2.337 123.609 121.223 0.082 0.000 2.127 447 L HA -0.141 4.182 4.340 -0.027 0.000 0.211 447 L C 2.018 178.980 176.870 0.153 0.000 1.089 447 L CA 1.778 56.691 54.840 0.121 0.000 0.757 447 L CB -1.031 41.103 42.059 0.125 0.000 0.899 447 L HN 0.409 nan 8.230 nan 0.000 0.434 448 Q N -0.680 119.134 119.800 0.022 0.000 2.170 448 Q HA -0.221 4.103 4.340 -0.027 0.000 0.203 448 Q C 2.201 178.324 176.000 0.205 0.000 0.976 448 Q CA 1.221 57.033 55.803 0.014 0.000 0.858 448 Q CB -0.051 28.494 28.738 -0.321 0.000 0.907 448 Q HN 0.416 nan 8.270 nan 0.000 0.433 449 L N -0.055 121.266 121.223 0.163 0.000 2.083 449 L HA -0.138 4.186 4.340 -0.027 0.000 0.209 449 L C 2.067 179.060 176.870 0.205 0.000 1.083 449 L CA 1.869 56.817 54.840 0.180 0.000 0.752 449 L CB -0.196 41.957 42.059 0.156 0.000 0.899 449 L HN 0.312 nan 8.230 nan 0.000 0.433 450 T N -6.114 108.566 114.554 0.210 0.000 3.337 450 T HA 0.126 4.460 4.350 -0.027 0.000 0.299 450 T C 1.353 176.166 174.700 0.189 0.000 0.998 450 T CA 0.211 62.429 62.100 0.198 0.000 0.948 450 T CB -0.153 68.848 68.868 0.221 0.000 1.170 450 T HN -0.096 nan 8.240 nan 0.000 0.508 451 V N 2.732 122.805 119.914 0.265 0.000 2.317 451 V HA -0.292 3.811 4.120 -0.027 0.000 0.251 451 V C 2.867 179.098 176.094 0.229 0.000 1.065 451 V CA 2.813 65.314 62.300 0.335 0.000 1.049 451 V CB -0.446 31.699 31.823 0.537 0.000 0.651 451 V HN 0.801 nan 8.190 nan 0.000 0.450 452 Q N -0.868 118.983 119.800 0.086 0.000 2.368 452 Q HA -0.260 4.063 4.340 -0.027 0.000 0.210 452 Q C 1.715 177.560 176.000 -0.259 0.000 0.982 452 Q CA 1.868 57.520 55.803 -0.252 0.000 0.884 452 Q CB -0.581 28.033 28.738 -0.207 0.000 0.933 452 Q HN 0.603 nan 8.270 nan 0.000 0.460 453 E N 1.158 121.316 120.200 -0.070 0.000 2.338 453 E HA 0.025 4.359 4.350 -0.027 0.000 0.197 453 E C 1.841 178.417 176.600 -0.041 0.000 1.007 453 E CA 0.424 56.799 56.400 -0.042 0.000 0.849 453 E CB -0.328 29.376 29.700 0.008 0.000 0.774 453 E HN 0.527 nan 8.360 nan 0.000 0.506 454 I N -0.332 120.235 120.570 -0.004 0.000 2.335 454 I HA -0.283 3.870 4.170 -0.027 0.000 0.251 454 I C 2.347 178.463 176.117 -0.002 0.000 1.129 454 I CA 0.958 62.296 61.300 0.063 0.000 1.402 454 I CB -0.315 37.832 38.000 0.245 0.000 1.069 454 I HN 0.064 nan 8.210 nan 0.000 0.424 455 S N 0.365 115.944 115.700 -0.202 0.000 2.370 455 S HA -0.206 4.248 4.470 -0.027 0.000 0.226 455 S C 2.066 176.616 174.600 -0.084 0.000 1.033 455 S CA 2.330 60.386 58.200 -0.240 0.000 1.011 455 S CB -0.291 62.598 63.200 -0.518 0.000 0.852 455 S HN 0.469 nan 8.310 nan 0.000 0.457 456 T N 2.314 116.845 114.554 -0.038 0.000 2.867 456 T HA 0.007 4.341 4.350 -0.027 0.000 0.268 456 T C 1.790 176.551 174.700 0.102 0.000 1.057 456 T CA 1.531 63.679 62.100 0.081 0.000 1.136 456 T CB -0.278 68.653 68.868 0.105 0.000 0.874 456 T HN 0.467 nan 8.240 nan 0.000 0.466 457 M N 0.311 119.913 119.600 0.003 0.000 2.132 457 M HA 0.060 4.524 4.480 -0.027 0.000 0.263 457 M C 2.133 178.438 176.300 0.008 0.000 1.065 457 M CA 1.588 56.858 55.300 -0.050 0.000 1.122 457 M CB -0.678 31.883 32.600 -0.065 0.000 1.365 457 M HN 0.148 nan 8.290 nan 0.000 0.411 458 I N -0.204 120.375 120.570 0.015 0.000 2.202 458 I HA -0.242 3.911 4.170 -0.027 0.000 0.242 458 I C 2.792 178.909 176.117 0.000 0.000 1.091 458 I CA 1.271 62.579 61.300 0.013 0.000 1.368 458 I CB -0.430 37.579 38.000 0.016 0.000 1.058 458 I HN 0.242 nan 8.210 nan 0.000 0.410 459 R N -0.133 120.356 120.500 -0.019 0.000 2.139 459 R HA -0.216 4.108 4.340 -0.027 0.000 0.243 459 R C 1.699 177.856 176.300 -0.237 0.000 1.145 459 R CA 1.862 57.882 56.100 -0.133 0.000 0.976 459 R CB -0.181 30.036 30.300 -0.138 0.000 0.866 459 R HN 0.409 nan 8.270 nan 0.000 0.449 460 W N -0.977 120.323 121.300 0.001 0.000 3.220 460 W HA 0.255 4.899 4.660 -0.027 0.000 0.328 460 W C 0.964 177.486 176.519 0.004 0.000 1.205 460 W CA 0.471 57.838 57.345 0.036 0.000 1.773 460 W CB 0.715 30.221 29.460 0.077 0.000 1.086 460 W HN 0.299 nan 8.180 nan 0.000 0.622 461 G N 1.419 110.302 108.800 0.138 0.000 2.198 461 G HA2 -0.302 3.642 3.960 -0.027 0.000 0.257 461 G HA3 -0.302 3.642 3.960 -0.027 0.000 0.257 461 G C -0.025 174.915 174.900 0.065 0.000 1.042 461 G CA -0.353 44.798 45.100 0.086 0.000 0.791 461 G HN 0.136 nan 8.290 nan 0.000 0.502 462 L N -0.780 120.458 121.223 0.025 0.000 2.397 462 L HA 0.398 4.721 4.340 -0.027 0.000 0.271 462 L C 0.944 177.791 176.870 -0.038 0.000 1.148 462 L CA 0.018 54.830 54.840 -0.046 0.000 0.825 462 L CB 0.882 42.829 42.059 -0.186 0.000 1.117 462 L HN 0.108 nan 8.230 nan 0.000 0.456 463 K N 2.937 123.314 120.400 -0.038 0.000 3.045 463 K HA 0.272 4.575 4.320 -0.027 0.000 0.214 463 K C -2.370 174.181 176.600 -0.083 0.000 1.213 463 K CA -1.421 54.827 56.287 -0.066 0.000 1.111 463 K CB 0.188 32.651 32.500 -0.061 0.000 1.454 463 K HN 0.308 nan 8.250 nan 0.000 0.498 464 P HA -0.043 nan 4.420 nan 0.000 0.273 464 P C -0.820 176.456 177.300 -0.040 0.000 1.250 464 P CA -0.125 62.991 63.100 0.027 0.000 0.793 464 P CB 0.454 32.165 31.700 0.018 0.000 1.011 465 Y N -0.052 120.215 120.300 -0.056 0.000 2.342 465 Y HA 0.366 4.899 4.550 -0.028 0.000 0.338 465 Y C 0.293 176.107 175.900 -0.143 0.000 0.965 465 Y CA -0.316 57.695 58.100 -0.149 0.000 1.159 465 Y CB 0.586 39.031 38.460 -0.024 0.000 1.157 465 Y HN 0.025 nan 8.280 nan 0.000 0.486 466 L N 5.611 126.762 121.223 -0.120 0.000 2.283 466 L HA 0.427 4.750 4.340 -0.027 0.000 0.281 466 L C -1.158 175.630 176.870 -0.138 0.000 1.033 466 L CA -0.467 54.339 54.840 -0.056 0.000 0.848 466 L CB 0.111 42.160 42.059 -0.016 0.000 1.226 466 L HN 0.427 nan 8.230 nan 0.000 0.429 467 F N 2.630 122.488 119.950 -0.152 0.000 2.405 467 F HA 0.402 4.912 4.527 -0.028 0.000 0.355 467 F C 0.311 176.089 175.800 -0.038 0.000 1.121 467 F CA -0.855 57.062 58.000 -0.138 0.000 1.112 467 F CB 1.247 40.034 39.000 -0.354 0.000 1.126 467 F HN 0.013 nan 8.300 nan 0.000 0.481 468 V N 4.970 124.970 119.914 0.144 0.000 2.370 468 V HA 0.253 4.357 4.120 -0.027 0.000 0.283 468 V C 0.180 176.323 176.094 0.081 0.000 1.023 468 V CA -0.872 61.451 62.300 0.038 0.000 0.857 468 V CB 1.481 33.188 31.823 -0.194 0.000 0.985 468 V HN 0.528 nan 8.190 nan 0.000 0.443 469 L N 4.743 126.045 121.223 0.132 0.000 2.454 469 L HA 0.267 4.591 4.340 -0.027 0.000 0.284 469 L C 0.479 177.397 176.870 0.080 0.000 1.139 469 L CA 0.022 54.953 54.840 0.151 0.000 0.911 469 L CB -0.194 41.992 42.059 0.211 0.000 1.262 469 L HN 0.642 nan 8.230 nan 0.000 0.453 470 N N 3.942 122.687 118.700 0.075 0.000 2.408 470 N HA 0.059 4.783 4.740 -0.027 0.000 0.257 470 N C 0.170 175.726 175.510 0.076 0.000 1.064 470 N CA -0.211 52.893 53.050 0.090 0.000 0.952 470 N CB 0.653 39.231 38.487 0.152 0.000 1.093 470 N HN 0.570 nan 8.380 nan 0.000 0.490 471 N N 1.791 120.524 118.700 0.055 0.000 2.217 471 N HA 0.093 4.816 4.740 -0.027 0.000 0.239 471 N C -0.908 174.586 175.510 -0.026 0.000 1.330 471 N CA -0.393 52.667 53.050 0.017 0.000 0.838 471 N CB -0.211 38.287 38.487 0.019 0.000 1.287 471 N HN 0.396 nan 8.380 nan 0.000 0.498 472 D N -0.110 120.285 120.400 -0.008 0.000 2.812 472 D HA 0.054 4.677 4.640 -0.027 0.000 0.237 472 D C 0.583 176.814 176.300 -0.115 0.000 1.162 472 D CA 2.170 56.139 54.000 -0.051 0.000 0.740 472 D CB -1.172 39.602 40.800 -0.043 0.000 1.000 472 D HN 0.970 nan 8.370 nan 0.000 0.416 473 G N 0.148 108.873 108.800 -0.126 0.000 2.342 473 G HA2 -0.070 3.873 3.960 -0.027 0.000 0.220 473 G HA3 -0.070 3.873 3.960 -0.027 0.000 0.220 473 G C -1.003 173.886 174.900 -0.019 0.000 1.243 473 G CA -0.407 44.553 45.100 -0.234 0.000 1.083 473 G HN 0.271 nan 8.290 nan 0.000 0.500 474 Y N 2.009 122.283 120.300 -0.044 0.000 2.667 474 Y HA 0.412 4.946 4.550 -0.027 0.000 0.340 474 Y C 2.253 178.124 175.900 -0.048 0.000 1.303 474 Y CA -0.055 58.034 58.100 -0.020 0.000 1.769 474 Y CB -0.151 38.321 38.460 0.019 0.000 1.804 474 Y HN 0.809 nan 8.280 nan 0.000 0.451 475 T N -1.491 113.102 114.554 0.065 0.000 2.833 475 T HA -0.213 4.120 4.350 -0.027 0.000 0.269 475 T C 1.926 176.634 174.700 0.013 0.000 1.054 475 T CA 1.390 63.465 62.100 -0.042 0.000 1.135 475 T CB -0.204 68.599 68.868 -0.108 0.000 0.869 475 T HN 0.631 nan 8.240 nan 0.000 0.466 476 I N 0.287 120.889 120.570 0.054 0.000 2.252 476 I HA -0.097 4.057 4.170 -0.027 0.000 0.245 476 I C 2.509 178.657 176.117 0.052 0.000 1.102 476 I CA 1.654 62.975 61.300 0.035 0.000 1.385 476 I CB -0.102 37.931 38.000 0.055 0.000 1.064 476 I HN 0.390 nan 8.210 nan 0.000 0.414 477 E N 0.319 120.575 120.200 0.093 0.000 2.216 477 E HA -0.189 4.144 4.350 -0.027 0.000 0.192 477 E C 2.043 178.743 176.600 0.166 0.000 0.988 477 E CA 0.687 57.167 56.400 0.132 0.000 0.834 477 E CB 0.091 29.897 29.700 0.177 0.000 0.772 477 E HN 0.477 nan 8.360 nan 0.000 0.479 478 K N 0.456 120.936 120.400 0.133 0.000 2.097 478 K HA -0.118 4.185 4.320 -0.027 0.000 0.206 478 K C 1.745 178.449 176.600 0.172 0.000 1.049 478 K CA 0.730 57.091 56.287 0.124 0.000 0.933 478 K CB 0.004 32.499 32.500 -0.009 0.000 0.717 478 K HN 0.010 nan 8.250 nan 0.000 0.442 479 L N 0.963 122.261 121.223 0.124 0.000 2.456 479 L HA -0.079 4.245 4.340 -0.027 0.000 0.224 479 L C 1.837 178.760 176.870 0.088 0.000 1.148 479 L CA 1.440 56.350 54.840 0.116 0.000 0.825 479 L CB -0.439 41.649 42.059 0.049 0.000 0.937 479 L HN 0.303 nan 8.230 nan 0.000 0.450 480 I N -6.202 114.434 120.570 0.109 0.000 4.471 480 I HA 0.223 4.376 4.170 -0.027 0.000 0.326 480 I C 0.353 176.602 176.117 0.219 0.000 1.300 480 I CA -0.065 61.306 61.300 0.119 0.000 1.237 480 I CB 0.687 38.730 38.000 0.073 0.000 1.195 480 I HN 0.027 nan 8.210 nan 0.000 0.427 481 H N 1.565 120.695 119.070 0.099 0.000 3.155 481 H HA 0.315 4.855 4.556 -0.026 0.000 0.328 481 H C -0.194 175.230 175.328 0.161 0.000 1.059 481 H CA 0.375 56.497 56.048 0.124 0.000 1.378 481 H CB 2.043 31.879 29.762 0.123 0.000 1.998 481 H HN 0.389 nan 8.280 nan 0.000 0.480 482 G N 6.587 115.328 108.800 -0.100 0.000 2.415 482 G HA2 -0.180 3.764 3.960 -0.027 0.000 0.283 482 G HA3 -0.180 3.764 3.960 -0.027 0.000 0.283 482 G C -1.870 173.020 174.900 -0.018 0.000 1.014 482 G CA -0.100 44.940 45.100 -0.100 0.000 1.323 482 G HN 0.501 nan 8.290 nan 0.000 0.502 483 P HA -0.041 nan 4.420 nan 0.000 0.221 483 P C 0.913 178.316 177.300 0.172 0.000 1.145 483 P CA 1.332 64.569 63.100 0.229 0.000 0.795 483 P CB 0.155 32.042 31.700 0.311 0.000 0.775 484 K N -1.219 119.201 120.400 0.032 0.000 2.706 484 K HA 0.383 4.686 4.320 -0.027 0.000 0.203 484 K C 0.047 176.562 176.600 -0.142 0.000 1.102 484 K CA -0.353 55.920 56.287 -0.024 0.000 1.058 484 K CB 0.971 33.477 32.500 0.009 0.000 0.779 484 K HN -0.056 nan 8.250 nan 0.000 0.483 485 A N 1.649 124.305 122.820 -0.273 0.000 2.409 485 A HA 0.012 4.316 4.320 -0.027 0.000 0.267 485 A C 1.347 178.630 177.584 -0.500 0.000 1.127 485 A CA -0.222 51.484 52.037 -0.552 0.000 0.795 485 A CB 0.576 18.855 19.000 -1.202 0.000 1.061 485 A HN 0.335 nan 8.150 nan 0.000 0.502 486 Q N 2.315 121.925 119.800 -0.315 0.000 2.173 486 Q HA -0.261 4.062 4.340 -0.027 0.000 0.208 486 Q C 1.293 177.226 176.000 -0.112 0.000 0.989 486 Q CA 2.688 58.395 55.803 -0.159 0.000 0.872 486 Q CB -0.339 28.361 28.738 -0.063 0.000 0.909 486 Q HN 1.059 nan 8.270 nan 0.000 0.420 487 Y N -0.795 119.522 120.300 0.029 0.000 2.639 487 Y HA 0.093 4.627 4.550 -0.026 0.000 0.297 487 Y C 0.925 176.865 175.900 0.067 0.000 1.151 487 Y CA 0.697 58.830 58.100 0.056 0.000 1.335 487 Y CB -0.526 37.988 38.460 0.091 0.000 0.994 487 Y HN 0.078 nan 8.280 nan 0.000 0.548 488 N N 0.478 119.195 118.700 0.028 0.000 2.235 488 N HA 0.040 4.764 4.740 -0.027 0.000 0.209 488 N C -0.394 174.958 175.510 -0.263 0.000 1.122 488 N CA 0.219 53.309 53.050 0.066 0.000 0.845 488 N CB 0.351 38.929 38.487 0.152 0.000 1.004 488 N HN 0.420 nan 8.380 nan 0.000 0.499 489 E N 0.703 120.732 120.200 -0.285 0.000 2.249 489 E HA 0.542 4.875 4.350 -0.027 0.000 0.263 489 E C 0.104 176.481 176.600 -0.371 0.000 0.950 489 E CA -0.756 55.461 56.400 -0.306 0.000 0.827 489 E CB 2.340 31.937 29.700 -0.172 0.000 1.220 489 E HN 0.105 nan 8.360 nan 0.000 0.411 490 I N -2.136 118.238 120.570 -0.327 0.000 2.994 490 I HA 0.381 4.535 4.170 -0.027 0.000 0.306 490 I C -0.426 175.591 176.117 -0.166 0.000 1.195 490 I CA -1.437 59.701 61.300 -0.269 0.000 1.001 490 I CB 1.662 39.437 38.000 -0.376 0.000 1.244 490 I HN 0.086 nan 8.210 nan 0.000 0.437 491 Q N 2.297 122.028 119.800 -0.115 0.000 2.274 491 Q HA 0.447 4.771 4.340 -0.027 0.000 0.280 491 Q C 0.096 176.056 176.000 -0.067 0.000 1.047 491 Q CA 0.563 56.356 55.803 -0.015 0.000 0.907 491 Q CB 0.831 29.649 28.738 0.133 0.000 1.171 491 Q HN 0.974 nan 8.270 nan 0.000 0.381 492 G N 4.207 113.011 108.800 0.006 0.000 2.378 492 G HA2 0.257 4.200 3.960 -0.027 0.000 0.255 492 G HA3 0.257 4.200 3.960 -0.027 0.000 0.255 492 G C -1.135 173.863 174.900 0.163 0.000 1.270 492 G CA -0.518 44.585 45.100 0.006 0.000 0.876 492 G HN 0.526 nan 8.290 nan 0.000 0.521 493 W N 0.563 121.722 121.300 -0.236 0.000 2.578 493 W HA 0.383 5.026 4.660 -0.028 0.000 0.346 493 W C -0.370 175.882 176.519 -0.446 0.000 1.075 493 W CA -1.639 55.515 57.345 -0.317 0.000 1.233 493 W CB 1.497 30.787 29.460 -0.285 0.000 1.358 493 W HN 0.517 nan 8.180 nan 0.000 0.574 494 D N 0.395 120.758 120.400 -0.062 0.000 2.468 494 D HA 0.134 4.757 4.640 -0.027 0.000 0.218 494 D C 1.003 177.254 176.300 -0.083 0.000 1.155 494 D CA 0.083 54.022 54.000 -0.100 0.000 0.924 494 D CB 0.127 40.882 40.800 -0.074 0.000 1.029 494 D HN 0.353 nan 8.370 nan 0.000 0.515 495 H N 2.200 121.339 119.070 0.115 0.000 2.289 495 H HA -0.135 4.405 4.556 -0.027 0.000 0.296 495 H C 1.781 177.124 175.328 0.024 0.000 1.091 495 H CA 1.540 57.650 56.048 0.104 0.000 1.274 495 H CB 0.145 29.978 29.762 0.119 0.000 1.364 495 H HN 0.383 nan 8.280 nan 0.000 0.490 496 L N 0.061 121.361 121.223 0.128 0.000 2.187 496 L HA -0.165 4.159 4.340 -0.027 0.000 0.213 496 L C 1.780 178.635 176.870 -0.025 0.000 1.100 496 L CA 0.971 55.840 54.840 0.049 0.000 0.765 496 L CB -0.307 41.782 42.059 0.049 0.000 0.904 496 L HN 0.222 nan 8.230 nan 0.000 0.437 497 S N -0.304 115.354 115.700 -0.069 0.000 2.603 497 S HA 0.032 4.486 4.470 -0.027 0.000 0.220 497 S C 1.713 176.160 174.600 -0.255 0.000 0.967 497 S CA 0.009 58.123 58.200 -0.144 0.000 0.920 497 S CB 0.088 63.204 63.200 -0.140 0.000 0.773 497 S HN 0.163 nan 8.310 nan 0.000 0.529 498 L N 1.679 122.750 121.223 -0.253 0.000 2.005 498 L HA 0.045 4.369 4.340 -0.027 0.000 0.207 498 L C 2.008 178.604 176.870 -0.456 0.000 1.072 498 L CA 1.539 56.124 54.840 -0.425 0.000 0.744 498 L CB -1.377 40.562 42.059 -0.200 0.000 0.895 498 L HN 0.331 nan 8.230 nan 0.000 0.433 499 L N 0.080 121.115 121.223 -0.313 0.000 1.956 499 L HA -0.219 4.105 4.340 -0.027 0.000 0.216 499 L C -0.085 176.482 176.870 -0.504 0.000 1.073 499 L CA 1.774 56.376 54.840 -0.397 0.000 0.762 499 L CB -2.220 39.561 42.059 -0.462 0.000 0.889 499 L HN 0.236 nan 8.230 nan 0.000 0.433 500 P HA -0.128 nan 4.420 nan 0.000 0.217 500 P C 1.553 178.711 177.300 -0.237 0.000 1.150 500 P CA 1.532 64.402 63.100 -0.383 0.000 0.832 500 P CB -0.244 31.313 31.700 -0.239 0.000 0.787 501 T N -0.698 113.677 114.554 -0.298 0.000 2.881 501 T HA -0.084 4.249 4.350 -0.027 0.000 0.270 501 T C 0.872 175.503 174.700 -0.115 0.000 1.068 501 T CA 1.068 63.002 62.100 -0.276 0.000 1.131 501 T CB -0.647 67.937 68.868 -0.473 0.000 0.871 501 T HN 0.001 nan 8.240 nan 0.000 0.479 502 F N 0.539 120.415 119.950 -0.123 0.000 2.732 502 F HA 0.433 4.944 4.527 -0.027 0.000 0.303 502 F C 1.822 177.567 175.800 -0.092 0.000 1.110 502 F CA -0.992 56.950 58.000 -0.095 0.000 1.355 502 F CB -0.726 38.227 39.000 -0.080 0.000 1.081 502 F HN 0.240 nan 8.300 nan 0.000 0.565 503 G N 0.411 109.243 108.800 0.052 0.000 2.142 503 G HA2 -0.063 3.880 3.960 -0.027 0.000 0.225 503 G HA3 -0.063 3.880 3.960 -0.027 0.000 0.225 503 G C 0.420 175.310 174.900 -0.017 0.000 1.015 503 G CA -0.121 44.981 45.100 0.004 0.000 0.716 503 G HN 0.645 nan 8.290 nan 0.000 0.508 504 A N -0.714 122.056 122.820 -0.083 0.000 2.445 504 A HA 0.686 4.990 4.320 -0.027 0.000 0.242 504 A C 1.244 178.864 177.584 0.060 0.000 1.075 504 A CA 1.238 53.229 52.037 -0.078 0.000 0.777 504 A CB 0.514 19.346 19.000 -0.281 0.000 1.013 504 A HN 0.730 nan 8.150 nan 0.000 0.493 505 K N 0.859 121.372 120.400 0.189 0.000 2.313 505 K HA 0.221 4.525 4.320 -0.027 0.000 0.215 505 K C -0.208 176.523 176.600 0.219 0.000 1.109 505 K CA 0.744 57.151 56.287 0.200 0.000 0.895 505 K CB -0.437 32.115 32.500 0.086 0.000 1.234 505 K HN 0.505 nan 8.250 nan 0.000 0.463 506 D N 0.538 121.042 120.400 0.173 0.000 2.454 506 D HA 0.301 4.925 4.640 -0.027 0.000 0.225 506 D C -1.045 175.346 176.300 0.151 0.000 1.081 506 D CA -0.618 53.421 54.000 0.065 0.000 0.864 506 D CB 0.141 40.959 40.800 0.031 0.000 1.040 506 D HN 0.246 nan 8.370 nan 0.000 0.517 507 Y N 0.250 120.524 120.300 -0.043 0.000 2.958 507 Y HA 0.722 5.256 4.550 -0.027 0.000 0.315 507 Y C -1.333 174.531 175.900 -0.061 0.000 1.541 507 Y CA -1.172 56.894 58.100 -0.056 0.000 1.087 507 Y CB 1.062 39.491 38.460 -0.051 0.000 1.593 507 Y HN 0.146 nan 8.280 nan 0.000 0.446 508 E N 0.204 120.458 120.200 0.089 0.000 2.422 508 E HA 0.467 4.800 4.350 -0.027 0.000 0.289 508 E C -1.860 174.746 176.600 0.009 0.000 0.985 508 E CA -0.558 55.796 56.400 -0.077 0.000 0.812 508 E CB 2.320 32.011 29.700 -0.014 0.000 1.226 508 E HN 0.899 nan 8.360 nan 0.000 0.419 509 T N -0.068 114.386 114.554 -0.167 0.000 2.930 509 T HA 0.691 5.025 4.350 -0.027 0.000 0.290 509 T C -0.546 173.898 174.700 -0.426 0.000 1.052 509 T CA -0.770 61.264 62.100 -0.110 0.000 1.017 509 T CB 1.802 70.679 68.868 0.016 0.000 1.137 509 T HN 0.417 nan 8.240 nan 0.000 0.511 510 H N -0.246 118.822 119.070 -0.003 0.000 3.068 510 H HA 0.509 5.048 4.556 -0.027 0.000 0.342 510 H C -1.005 174.321 175.328 -0.003 0.000 1.284 510 H CA -0.745 55.284 56.048 -0.032 0.000 1.181 510 H CB 2.466 32.167 29.762 -0.102 0.000 1.898 510 H HN 0.694 nan 8.280 nan 0.000 0.540 511 R N 1.372 121.952 120.500 0.133 0.000 2.750 511 R HA 0.661 4.985 4.340 -0.027 0.000 0.281 511 R C -1.769 174.591 176.300 0.100 0.000 0.972 511 R CA -0.803 55.362 56.100 0.108 0.000 0.912 511 R CB 2.155 32.504 30.300 0.081 0.000 1.187 511 R HN 0.314 nan 8.270 nan 0.000 0.464 512 V N 2.831 122.816 119.914 0.118 0.000 2.668 512 V HA 0.545 4.649 4.120 -0.027 0.000 0.304 512 V C -0.403 175.758 176.094 0.110 0.000 1.071 512 V CA -0.025 62.350 62.300 0.125 0.000 0.894 512 V CB 1.769 33.711 31.823 0.198 0.000 1.008 512 V HN 1.012 nan 8.190 nan 0.000 0.425 513 A N 3.900 126.757 122.820 0.061 0.000 2.498 513 A HA 0.563 4.867 4.320 -0.027 0.000 0.238 513 A C 0.626 178.191 177.584 -0.032 0.000 1.225 513 A CA 0.744 52.796 52.037 0.024 0.000 0.978 513 A CB 0.497 19.507 19.000 0.017 0.000 1.142 513 A HN 0.944 nan 8.150 nan 0.000 0.552 514 T N -5.055 109.473 114.554 -0.044 0.000 2.903 514 T HA 0.427 4.761 4.350 -0.027 0.000 0.299 514 T C 0.849 175.447 174.700 -0.171 0.000 1.093 514 T CA 0.530 62.551 62.100 -0.133 0.000 1.002 514 T CB 1.205 70.010 68.868 -0.105 0.000 1.127 514 T HN -0.103 nan 8.240 nan 0.000 0.488 515 T N 2.145 116.448 114.554 -0.420 0.000 2.620 515 T HA -0.130 4.203 4.350 -0.027 0.000 0.267 515 T C 2.199 176.789 174.700 -0.182 0.000 1.044 515 T CA 2.781 64.449 62.100 -0.721 0.000 1.161 515 T CB -1.137 67.252 68.868 -0.798 0.000 0.862 515 T HN 0.928 nan 8.240 nan 0.000 0.438 516 G N 0.651 109.389 108.800 -0.103 0.000 2.442 516 G HA2 -0.206 3.737 3.960 -0.027 0.000 0.219 516 G HA3 -0.206 3.737 3.960 -0.027 0.000 0.219 516 G C 1.452 176.378 174.900 0.043 0.000 1.141 516 G CA 0.933 46.034 45.100 0.001 0.000 0.763 516 G HN 0.581 nan 8.290 nan 0.000 0.554 517 E N -0.785 119.438 120.200 0.039 0.000 2.107 517 E HA -0.084 4.249 4.350 -0.027 0.000 0.191 517 E C 2.019 178.666 176.600 0.078 0.000 0.982 517 E CA 0.381 56.806 56.400 0.042 0.000 0.809 517 E CB -0.239 29.486 29.700 0.040 0.000 0.756 517 E HN 0.634 nan 8.360 nan 0.000 0.459 518 W N 2.755 124.050 121.300 -0.007 0.000 2.354 518 W HA -0.206 4.438 4.660 -0.028 0.000 0.315 518 W C 1.118 177.672 176.519 0.059 0.000 1.206 518 W CA 1.656 59.041 57.345 0.066 0.000 1.290 518 W CB -0.245 29.350 29.460 0.225 0.000 1.152 518 W HN 0.025 nan 8.180 nan 0.000 0.489 519 D N 0.575 121.178 120.400 0.338 0.000 2.092 519 D HA -0.236 4.387 4.640 -0.027 0.000 0.193 519 D C 1.919 178.227 176.300 0.013 0.000 0.994 519 D CA 2.380 56.499 54.000 0.199 0.000 0.828 519 D CB -0.521 40.450 40.800 0.285 0.000 0.963 519 D HN 0.091 nan 8.370 nan 0.000 0.450 520 K N 0.532 120.929 120.400 -0.005 0.000 2.020 520 K HA -0.160 4.143 4.320 -0.027 0.000 0.212 520 K C 2.038 178.545 176.600 -0.155 0.000 1.050 520 K CA 1.057 57.313 56.287 -0.052 0.000 0.929 520 K CB -0.595 31.884 32.500 -0.034 0.000 0.714 520 K HN 0.129 nan 8.250 nan 0.000 0.443 521 L N 0.613 121.656 121.223 -0.301 0.000 2.095 521 L HA -0.034 4.289 4.340 -0.027 0.000 0.204 521 L C 2.163 178.624 176.870 -0.681 0.000 1.080 521 L CA 2.405 56.880 54.840 -0.607 0.000 0.759 521 L CB -1.018 40.535 42.059 -0.842 0.000 0.914 521 L HN 0.531 nan 8.230 nan 0.000 0.439 522 T N -3.366 110.836 114.554 -0.587 0.000 3.007 522 T HA -0.177 4.157 4.350 -0.027 0.000 0.270 522 T C 1.607 176.333 174.700 0.043 0.000 1.107 522 T CA 1.474 63.383 62.100 -0.320 0.000 1.118 522 T CB -0.392 68.126 68.868 -0.584 0.000 0.889 522 T HN 0.569 nan 8.240 nan 0.000 0.506 523 Q N 0.748 120.546 119.800 -0.002 0.000 2.319 523 Q HA 0.201 4.525 4.340 -0.027 0.000 0.202 523 Q C 0.025 176.077 176.000 0.086 0.000 0.896 523 Q CA -0.226 55.625 55.803 0.079 0.000 0.942 523 Q CB 0.230 29.009 28.738 0.069 0.000 1.083 523 Q HN 0.542 nan 8.270 nan 0.000 0.510 524 D N 0.479 120.921 120.400 0.071 0.000 2.424 524 D HA -0.015 4.609 4.640 -0.027 0.000 0.244 524 D C 0.437 176.839 176.300 0.170 0.000 1.134 524 D CA 0.327 54.381 54.000 0.091 0.000 0.881 524 D CB 1.107 41.933 40.800 0.043 0.000 1.191 524 D HN -0.131 nan 8.370 nan 0.000 0.445 525 K N 1.174 121.646 120.400 0.121 0.000 2.062 525 K HA -0.041 4.263 4.320 -0.027 0.000 0.205 525 K C 2.035 178.713 176.600 0.130 0.000 1.051 525 K CA 0.923 57.278 56.287 0.113 0.000 0.941 525 K CB 0.003 32.547 32.500 0.074 0.000 0.719 525 K HN 0.216 nan 8.250 nan 0.000 0.440 526 S N 0.597 116.376 115.700 0.131 0.000 2.402 526 S HA -0.086 4.368 4.470 -0.027 0.000 0.229 526 S C 1.541 176.249 174.600 0.180 0.000 1.021 526 S CA 0.750 59.025 58.200 0.125 0.000 0.974 526 S CB -0.314 62.948 63.200 0.103 0.000 0.800 526 S HN 0.237 nan 8.310 nan 0.000 0.484 527 F N 3.384 123.376 119.950 0.070 0.000 2.095 527 F HA -0.103 4.408 4.527 -0.027 0.000 0.298 527 F C 1.852 177.831 175.800 0.299 0.000 1.104 527 F CA 1.259 59.325 58.000 0.112 0.000 1.232 527 F CB -0.505 38.512 39.000 0.028 0.000 0.987 527 F HN 0.189 nan 8.300 nan 0.000 0.475 528 N N 0.332 119.173 118.700 0.234 0.000 2.571 528 N HA -0.107 4.616 4.740 -0.027 0.000 0.189 528 N C -0.379 175.182 175.510 0.085 0.000 1.154 528 N CA 0.633 53.776 53.050 0.154 0.000 0.907 528 N CB -0.457 38.114 38.487 0.140 0.000 0.977 528 N HN 0.339 nan 8.380 nan 0.000 0.449 529 D N 0.720 121.180 120.400 0.100 0.000 2.278 529 D HA 0.047 4.671 4.640 -0.027 0.000 0.245 529 D C -0.328 176.014 176.300 0.069 0.000 1.052 529 D CA -0.760 53.282 54.000 0.069 0.000 0.834 529 D CB 0.555 41.385 40.800 0.050 0.000 1.194 529 D HN 0.005 nan 8.370 nan 0.000 0.481 530 N N 2.378 121.127 118.700 0.080 0.000 3.124 530 N HA 0.002 4.726 4.740 -0.027 0.000 0.284 530 N C 0.221 175.717 175.510 -0.023 0.000 1.209 530 N CA -0.333 52.736 53.050 0.032 0.000 1.149 530 N CB 0.351 38.919 38.487 0.134 0.000 1.434 530 N HN 0.263 nan 8.380 nan 0.000 0.529 531 S N 0.067 115.736 115.700 -0.051 0.000 2.470 531 S HA 0.030 4.483 4.470 -0.027 0.000 0.222 531 S C 0.593 175.163 174.600 -0.051 0.000 1.024 531 S CA 0.129 58.309 58.200 -0.034 0.000 0.931 531 S CB 0.009 63.196 63.200 -0.021 0.000 0.791 531 S HN 0.671 nan 8.310 nan 0.000 0.513 532 K N 0.595 120.936 120.400 -0.099 0.000 2.522 532 K HA 0.578 4.882 4.320 -0.027 0.000 0.275 532 K C -1.121 175.393 176.600 -0.143 0.000 1.006 532 K CA -1.238 54.999 56.287 -0.084 0.000 0.890 532 K CB 0.896 33.363 32.500 -0.056 0.000 1.475 532 K HN 0.179 nan 8.250 nan 0.000 0.441 533 I N -0.069 120.455 120.570 -0.077 0.000 2.634 533 I HA 0.360 4.514 4.170 -0.027 0.000 0.284 533 I C -0.092 175.970 176.117 -0.093 0.000 1.124 533 I CA -0.501 60.743 61.300 -0.093 0.000 1.417 533 I CB 0.323 38.309 38.000 -0.024 0.000 1.396 533 I HN 0.403 nan 8.210 nan 0.000 0.571 534 R N 5.336 125.734 120.500 -0.170 0.000 2.725 534 R HA 0.698 5.021 4.340 -0.027 0.000 0.277 534 R C -1.280 174.961 176.300 -0.098 0.000 0.987 534 R CA -0.982 55.047 56.100 -0.118 0.000 0.901 534 R CB 2.660 32.797 30.300 -0.273 0.000 1.207 534 R HN 0.684 nan 8.270 nan 0.000 0.463 535 M N 2.928 122.517 119.600 -0.020 0.000 2.326 535 M HA 0.506 4.970 4.480 -0.027 0.000 0.306 535 M C -1.739 174.551 176.300 -0.016 0.000 1.054 535 M CA -0.756 54.520 55.300 -0.040 0.000 0.922 535 M CB 1.687 34.291 32.600 0.008 0.000 1.632 535 M HN 0.551 nan 8.290 nan 0.000 0.436 536 I N 3.500 124.010 120.570 -0.100 0.000 2.493 536 I HA 0.312 4.466 4.170 -0.027 0.000 0.279 536 I C -0.468 175.693 176.117 0.075 0.000 1.045 536 I CA -0.264 61.015 61.300 -0.034 0.000 1.106 536 I CB 1.740 39.569 38.000 -0.284 0.000 1.216 536 I HN 0.635 nan 8.210 nan 0.000 0.459 537 E N 6.246 126.511 120.200 0.108 0.000 2.316 537 E HA 0.424 4.758 4.350 -0.027 0.000 0.275 537 E C -0.823 175.880 176.600 0.171 0.000 1.029 537 E CA -0.339 56.136 56.400 0.124 0.000 0.871 537 E CB 0.924 30.709 29.700 0.142 0.000 1.022 537 E HN 0.484 nan 8.360 nan 0.000 0.418 538 I N 5.000 125.680 120.570 0.184 0.000 2.339 538 I HA 0.203 4.357 4.170 -0.027 0.000 0.290 538 I C -0.126 176.069 176.117 0.130 0.000 0.994 538 I CA -0.670 60.748 61.300 0.198 0.000 1.191 538 I CB 1.147 39.297 38.000 0.250 0.000 1.343 538 I HN 0.329 nan 8.210 nan 0.000 0.458 539 M N 7.255 126.917 119.600 0.103 0.000 2.113 539 M HA 0.466 4.929 4.480 -0.027 0.000 0.352 539 M C -0.858 175.470 176.300 0.047 0.000 1.170 539 M CA -0.484 54.861 55.300 0.074 0.000 1.053 539 M CB 1.093 33.731 32.600 0.065 0.000 1.601 539 M HN 0.354 nan 8.290 nan 0.000 0.459 540 L N 5.839 127.089 121.223 0.046 0.000 2.371 540 L HA 0.699 5.022 4.340 -0.027 0.000 0.262 540 L C -2.271 174.616 176.870 0.028 0.000 1.006 540 L CA -1.699 53.160 54.840 0.032 0.000 0.818 540 L CB 2.350 44.436 42.059 0.045 0.000 1.354 540 L HN 0.396 nan 8.230 nan 0.000 0.415 541 P HA 0.131 nan 4.420 nan 0.000 0.271 541 P C 0.930 178.238 177.300 0.013 0.000 1.216 541 P CA -0.305 62.818 63.100 0.039 0.000 0.776 541 P CB 0.707 32.445 31.700 0.062 0.000 0.881 542 V N 2.107 122.006 119.914 -0.025 0.000 2.380 542 V HA -0.246 3.858 4.120 -0.027 0.000 0.251 542 V C 1.338 177.194 176.094 -0.397 0.000 1.063 542 V CA 1.979 64.141 62.300 -0.229 0.000 1.055 542 V CB -1.077 30.542 31.823 -0.340 0.000 0.657 542 V HN 0.546 nan 8.190 nan 0.000 0.455 543 F N -0.595 119.366 119.950 0.019 0.000 2.660 543 F HA 0.294 4.805 4.527 -0.027 0.000 0.302 543 F C 0.708 176.520 175.800 0.020 0.000 1.103 543 F CA -0.629 57.380 58.000 0.016 0.000 1.340 543 F CB 0.008 39.011 39.000 0.004 0.000 1.048 543 F HN 0.100 nan 8.300 nan 0.000 0.551 544 D N 1.188 121.660 120.400 0.120 0.000 2.277 544 D HA 0.593 5.217 4.640 -0.027 0.000 0.249 544 D C -0.318 176.036 176.300 0.091 0.000 1.134 544 D CA 0.166 54.225 54.000 0.099 0.000 0.863 544 D CB 0.943 41.790 40.800 0.078 0.000 1.143 544 D HN 0.196 nan 8.370 nan 0.000 0.458 545 A N 3.610 126.487 122.820 0.094 0.000 2.568 545 A HA 0.685 4.988 4.320 -0.027 0.000 0.291 545 A C -2.767 174.881 177.584 0.106 0.000 1.159 545 A CA -1.347 50.749 52.037 0.098 0.000 0.679 545 A CB 0.706 19.728 19.000 0.037 0.000 1.285 545 A HN 0.470 nan 8.150 nan 0.000 0.428 546 P HA 0.132 nan 4.420 nan 0.000 0.265 546 P C 0.678 178.000 177.300 0.038 0.000 1.193 546 P CA 0.209 63.367 63.100 0.097 0.000 0.765 546 P CB 0.621 32.343 31.700 0.037 0.000 0.823 547 Q N 3.991 123.819 119.800 0.047 0.000 2.007 547 Q HA -0.389 3.935 4.340 -0.027 0.000 0.214 547 Q C 1.749 177.749 176.000 -0.001 0.000 1.031 547 Q CA 2.725 58.544 55.803 0.027 0.000 0.886 547 Q CB -0.420 28.337 28.738 0.032 0.000 0.992 547 Q HN 0.530 nan 8.270 nan 0.000 0.415 548 N N 0.234 118.928 118.700 -0.010 0.000 2.132 548 N HA -0.229 4.495 4.740 -0.027 0.000 0.191 548 N C 1.789 177.264 175.510 -0.057 0.000 1.015 548 N CA 1.568 54.602 53.050 -0.027 0.000 0.864 548 N CB -0.531 37.943 38.487 -0.021 0.000 1.006 548 N HN 0.333 nan 8.380 nan 0.000 0.430 549 L N 0.768 121.938 121.223 -0.090 0.000 2.240 549 L HA 0.100 4.424 4.340 -0.027 0.000 0.211 549 L C 2.070 178.869 176.870 -0.118 0.000 1.106 549 L CA 0.668 55.405 54.840 -0.173 0.000 0.793 549 L CB -0.033 41.842 42.059 -0.307 0.000 0.927 549 L HN -0.075 nan 8.230 nan 0.000 0.446 550 V N -0.898 118.980 119.914 -0.059 0.000 2.649 550 V HA -0.137 3.966 4.120 -0.027 0.000 0.248 550 V C 2.439 178.520 176.094 -0.022 0.000 1.054 550 V CA 1.222 63.507 62.300 -0.024 0.000 1.073 550 V CB -0.454 31.372 31.823 0.006 0.000 0.699 550 V HN 0.376 nan 8.190 nan 0.000 0.463 551 K N -0.164 120.221 120.400 -0.025 0.000 2.025 551 K HA -0.199 4.104 4.320 -0.027 0.000 0.207 551 K C 2.258 178.843 176.600 -0.026 0.000 1.049 551 K CA 1.643 57.918 56.287 -0.021 0.000 0.933 551 K CB -0.074 32.415 32.500 -0.018 0.000 0.714 551 K HN 0.458 nan 8.250 nan 0.000 0.438 552 Q N 0.403 120.180 119.800 -0.038 0.000 2.008 552 Q HA -0.084 4.239 4.340 -0.027 0.000 0.196 552 Q C 2.084 178.061 176.000 -0.038 0.000 0.973 552 Q CA 1.262 57.042 55.803 -0.040 0.000 0.826 552 Q CB -0.127 28.579 28.738 -0.053 0.000 0.894 552 Q HN 0.277 nan 8.270 nan 0.000 0.439 553 A N 1.331 124.118 122.820 -0.055 0.000 1.958 553 A HA -0.285 4.019 4.320 -0.027 0.000 0.221 553 A C 2.020 179.596 177.584 -0.013 0.000 1.178 553 A CA 1.956 53.971 52.037 -0.037 0.000 0.642 553 A CB -0.606 18.370 19.000 -0.040 0.000 0.816 553 A HN 0.398 nan 8.150 nan 0.000 0.453 554 K N -0.787 119.604 120.400 -0.014 0.000 1.973 554 K HA -0.114 4.190 4.320 -0.027 0.000 0.212 554 K C 1.987 178.580 176.600 -0.011 0.000 1.047 554 K CA 1.713 57.993 56.287 -0.012 0.000 0.937 554 K CB -0.328 32.162 32.500 -0.016 0.000 0.721 554 K HN 0.473 nan 8.250 nan 0.000 0.440 555 L N 1.073 122.288 121.223 -0.012 0.000 2.376 555 L HA 0.001 4.325 4.340 -0.027 0.000 0.219 555 L C 1.269 178.136 176.870 -0.006 0.000 1.133 555 L CA 1.005 55.839 54.840 -0.010 0.000 0.816 555 L CB -0.412 41.641 42.059 -0.011 0.000 0.933 555 L HN 0.107 nan 8.230 nan 0.000 0.449 556 T N 0.000 114.550 114.554 -0.007 0.000 3.816 556 T HA 0.000 4.334 4.350 -0.027 0.000 0.228 556 T CA 0.000 62.098 62.100 -0.003 0.000 1.349 556 T CB 0.000 68.864 68.868 -0.006 0.000 0.612 556 T HN 0.000 nan 8.240 nan 0.000 0.658