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 2awa_1_B DATA FIRST_RESID 0 DATA SEQUENCE HXIHFSINKN LFLQALNTTK RAISSKNAIP ILSTVKIDVT NEGITLIGSN DATA SEQUENCE GQISIENFIS QKNEDAGLLI TSLGSILLEA SFFINVVSSL PDVTLDFKEI DATA SEQUENCE EQNQIVLTSG KSEITLKGKD SEQYPRIQEI SASTPLILET KLLKKIINET DATA SEQUENCE AFAASTQESR PILTGVHFVL SQHKELKTVA TDSHRLSQKK LTLEKNSDDF DATA SEQUENCE DVVIPSRSLR EFSAVFTDDI ETVEIFFANN QILFRSENIS FYTRLLEGNY DATA SEQUENCE PDTDRLIPTD FNTTITFNVV NLRQSXERAR LLSSATQNGT VKLEIKDGVV DATA SEQUENCE SAHVHSPEVG KVNEEIDTDQ VTGEDLTISF NPTYLIDSLK ALNSEKVTIS DATA SEQUENCE FISAVRPFTL VPADTDEDFX QLITPVRT 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.358 175.328 0.050 0.000 0.993 0 H CA 0.000 56.071 56.048 0.038 0.000 1.023 0 H CB 0.000 29.783 29.762 0.034 0.000 1.292 3 H N 6.485 125.661 119.070 0.176 0.000 3.240 3 H HA 0.608 5.165 4.556 0.001 0.000 0.329 3 H C -1.941 173.485 175.328 0.162 0.000 1.024 3 H CA -0.555 55.561 56.048 0.113 0.000 1.487 3 H CB 1.432 31.228 29.762 0.057 0.000 1.909 3 H HN 0.489 nan 8.280 nan 0.000 0.465 4 F N 2.124 122.116 119.950 0.070 0.000 2.685 4 F HA 0.701 5.229 4.527 0.001 0.000 0.315 4 F C -1.491 174.262 175.800 -0.078 0.000 1.126 4 F CA -0.871 57.044 58.000 -0.143 0.000 0.950 4 F CB 1.503 40.395 39.000 -0.179 0.000 1.360 4 F HN 0.321 nan 8.300 nan 0.000 0.469 5 S N 1.466 117.201 115.700 0.059 0.000 2.599 5 S HA 0.902 5.373 4.470 0.001 0.000 0.287 5 S C -1.317 173.333 174.600 0.084 0.000 1.105 5 S CA -0.667 57.533 58.200 -0.001 0.000 0.899 5 S CB 2.084 65.261 63.200 -0.039 0.000 1.100 5 S HN 1.252 nan 8.310 nan 0.000 0.482 6 I N 0.987 121.568 120.570 0.017 0.000 2.947 6 I HA 0.363 4.534 4.170 0.001 0.000 0.301 6 I C -1.515 174.602 176.117 0.000 0.000 1.453 6 I CA -0.661 60.633 61.300 -0.009 0.000 0.984 6 I CB 2.031 39.979 38.000 -0.087 0.000 1.333 6 I HN 0.926 nan 8.210 nan 0.000 0.475 7 N N 5.503 124.211 118.700 0.013 0.000 2.452 7 N HA 0.027 4.768 4.740 0.001 0.000 0.266 7 N C 0.574 176.135 175.510 0.085 0.000 1.175 7 N CA 0.301 53.371 53.050 0.033 0.000 0.945 7 N CB 1.346 39.844 38.487 0.019 0.000 1.063 7 N HN 0.738 nan 8.380 nan 0.000 0.472 8 K N 4.209 124.659 120.400 0.083 0.000 2.044 8 K HA -0.215 4.106 4.320 0.001 0.000 0.210 8 K C 0.909 177.577 176.600 0.113 0.000 1.049 8 K CA 1.570 57.931 56.287 0.124 0.000 0.927 8 K CB 0.097 32.637 32.500 0.067 0.000 0.713 8 K HN 0.541 nan 8.250 nan 0.000 0.443 9 N N 1.065 119.800 118.700 0.058 0.000 2.142 9 N HA -0.165 4.576 4.740 0.001 0.000 0.186 9 N C 1.826 177.358 175.510 0.036 0.000 1.023 9 N CA 0.940 54.007 53.050 0.028 0.000 0.852 9 N CB -0.316 38.175 38.487 0.007 0.000 0.998 9 N HN 0.210 nan 8.380 nan 0.000 0.424 10 L N -0.258 120.998 121.223 0.055 0.000 2.093 10 L HA -0.084 4.256 4.340 0.001 0.000 0.208 10 L C 2.096 179.030 176.870 0.108 0.000 1.085 10 L CA 0.981 55.850 54.840 0.049 0.000 0.755 10 L CB -0.246 41.830 42.059 0.029 0.000 0.904 10 L HN -0.036 nan 8.230 nan 0.000 0.435 11 F N -0.079 119.856 119.950 -0.024 0.000 2.075 11 F HA -0.255 4.273 4.527 0.001 0.000 0.297 11 F C 2.113 177.898 175.800 -0.025 0.000 1.113 11 F CA 1.840 59.836 58.000 -0.007 0.000 1.218 11 F CB -0.668 38.362 39.000 0.050 0.000 0.984 11 F HN 0.071 nan 8.300 nan 0.000 0.472 12 L N 0.589 121.783 121.223 -0.047 0.000 2.127 12 L HA -0.226 4.114 4.340 0.001 0.000 0.211 12 L C 2.490 179.267 176.870 -0.156 0.000 1.089 12 L CA 1.962 56.687 54.840 -0.193 0.000 0.757 12 L CB -1.084 40.905 42.059 -0.117 0.000 0.899 12 L HN 0.397 nan 8.230 nan 0.000 0.434 13 Q N -1.070 118.678 119.800 -0.087 0.000 2.016 13 Q HA -0.198 4.143 4.340 0.001 0.000 0.200 13 Q C 2.192 178.134 176.000 -0.097 0.000 0.978 13 Q CA 1.659 57.413 55.803 -0.081 0.000 0.833 13 Q CB -0.199 28.506 28.738 -0.055 0.000 0.895 13 Q HN 0.610 nan 8.270 nan 0.000 0.427 14 A N 0.993 123.764 122.820 -0.082 0.000 1.917 14 A HA -0.206 4.115 4.320 0.001 0.000 0.219 14 A C 2.081 179.596 177.584 -0.114 0.000 1.182 14 A CA 1.466 53.455 52.037 -0.080 0.000 0.633 14 A CB -0.848 18.134 19.000 -0.029 0.000 0.819 14 A HN 0.461 nan 8.150 nan 0.000 0.448 15 L N -0.461 120.642 121.223 -0.200 0.000 2.083 15 L HA -0.196 4.145 4.340 0.001 0.000 0.209 15 L C 2.260 179.060 176.870 -0.118 0.000 1.083 15 L CA 1.212 55.936 54.840 -0.194 0.000 0.752 15 L CB -0.578 41.276 42.059 -0.342 0.000 0.899 15 L HN 0.365 nan 8.230 nan 0.000 0.433 16 N N -0.811 117.815 118.700 -0.123 0.000 2.270 16 N HA -0.112 4.629 4.740 0.001 0.000 0.181 16 N C 1.840 177.302 175.510 -0.079 0.000 1.016 16 N CA 1.520 54.515 53.050 -0.091 0.000 0.870 16 N CB -0.262 38.170 38.487 -0.093 0.000 0.979 16 N HN 0.255 nan 8.380 nan 0.000 0.431 17 T N 0.132 114.628 114.554 -0.095 0.000 2.737 17 T HA -0.061 4.290 4.350 0.001 0.000 0.265 17 T C 1.857 176.514 174.700 -0.073 0.000 1.038 17 T CA 1.445 63.478 62.100 -0.113 0.000 1.144 17 T CB -0.422 68.357 68.868 -0.147 0.000 0.866 17 T HN 0.266 nan 8.240 nan 0.000 0.434 18 T N 1.640 116.166 114.554 -0.047 0.000 2.821 18 T HA -0.029 4.322 4.350 0.001 0.000 0.267 18 T C 1.922 176.638 174.700 0.027 0.000 1.046 18 T CA 0.843 62.944 62.100 0.001 0.000 1.139 18 T CB -0.125 68.747 68.868 0.007 0.000 0.871 18 T HN 0.292 nan 8.240 nan 0.000 0.454 19 K N 1.060 121.467 120.400 0.011 0.000 2.211 19 K HA -0.073 4.248 4.320 0.001 0.000 0.204 19 K C 2.317 178.941 176.600 0.040 0.000 1.047 19 K CA 0.792 57.097 56.287 0.030 0.000 0.935 19 K CB -0.052 32.455 32.500 0.012 0.000 0.728 19 K HN 0.248 nan 8.250 nan 0.000 0.452 20 R N -0.535 119.980 120.500 0.025 0.000 2.200 20 R HA -0.124 4.217 4.340 0.001 0.000 0.234 20 R C 1.523 177.878 176.300 0.092 0.000 1.127 20 R CA 1.102 57.226 56.100 0.040 0.000 0.989 20 R CB -0.094 30.207 30.300 0.001 0.000 0.869 20 R HN 0.116 nan 8.270 nan 0.000 0.459 21 A N 0.442 123.329 122.820 0.112 0.000 2.460 21 A HA 0.262 4.583 4.320 0.001 0.000 0.258 21 A C 0.465 178.114 177.584 0.109 0.000 1.300 21 A CA -0.192 51.926 52.037 0.134 0.000 0.913 21 A CB 0.358 19.457 19.000 0.165 0.000 1.031 21 A HN 0.054 nan 8.150 nan 0.000 0.512 22 I N 1.106 121.732 120.570 0.093 0.000 2.411 22 I HA 0.212 4.383 4.170 0.001 0.000 0.284 22 I C -0.359 175.803 176.117 0.076 0.000 1.012 22 I CA -0.285 61.069 61.300 0.091 0.000 1.119 22 I CB 2.002 40.061 38.000 0.097 0.000 1.261 22 I HN 0.030 nan 8.210 nan 0.000 0.448 23 S N 2.777 118.518 115.700 0.070 0.000 2.632 23 S HA 0.182 4.653 4.470 0.001 0.000 0.267 23 S C 1.257 175.891 174.600 0.058 0.000 1.276 23 S CA -0.590 57.645 58.200 0.059 0.000 0.998 23 S CB 1.685 64.915 63.200 0.051 0.000 0.953 23 S HN 0.788 nan 8.310 nan 0.000 0.547 24 S N 1.077 116.808 115.700 0.051 0.000 2.335 24 S HA 0.067 4.538 4.470 0.001 0.000 0.217 24 S C 0.947 175.572 174.600 0.041 0.000 1.032 24 S CA 0.797 59.027 58.200 0.049 0.000 0.985 24 S CB -0.797 62.429 63.200 0.044 0.000 0.896 24 S HN 0.912 nan 8.310 nan 0.000 0.445 25 K N 1.338 121.759 120.400 0.035 0.000 2.240 25 K HA 0.620 4.940 4.320 0.001 0.000 0.271 25 K C -0.865 175.751 176.600 0.027 0.000 1.018 25 K CA -0.570 55.734 56.287 0.028 0.000 0.874 25 K CB 0.513 33.027 32.500 0.023 0.000 1.098 25 K HN 0.337 nan 8.250 nan 0.000 0.458 26 N N 0.457 119.171 118.700 0.023 0.000 2.238 26 N HA 0.598 5.339 4.740 0.001 0.000 0.302 26 N C 1.123 176.637 175.510 0.007 0.000 1.072 26 N CA 0.181 53.241 53.050 0.016 0.000 0.792 26 N CB 1.867 40.364 38.487 0.017 0.000 1.425 26 N HN 0.820 nan 8.380 nan 0.000 0.478 27 A N 1.198 124.020 122.820 0.002 0.000 2.019 27 A HA 0.117 4.437 4.320 0.001 0.000 0.219 27 A C 0.956 178.534 177.584 -0.011 0.000 1.164 27 A CA 1.006 53.042 52.037 -0.002 0.000 0.644 27 A CB -0.257 nan 19.000 nan 0.000 0.805 27 A HN 0.657 nan 8.150 nan 0.000 0.449 28 I N 0.670 121.228 120.570 -0.020 0.000 2.287 28 I HA 0.200 4.371 4.170 0.001 0.000 0.290 28 I C -1.565 174.537 176.117 -0.026 0.000 1.069 28 I CA -1.583 59.697 61.300 -0.033 0.000 1.237 28 I CB 0.257 38.220 38.000 -0.061 0.000 1.418 28 I HN 0.223 nan 8.210 nan 0.000 0.481 29 P HA -0.206 nan 4.420 nan 0.000 0.216 29 P C 1.859 179.165 177.300 0.009 0.000 1.154 29 P CA 1.226 64.326 63.100 -0.000 0.000 0.865 29 P CB 0.269 31.969 31.700 0.000 0.000 0.789 30 I N -1.567 119.000 120.570 -0.005 0.000 3.001 30 I HA -0.092 4.079 4.170 0.001 0.000 0.268 30 I C 1.717 177.864 176.117 0.051 0.000 1.267 30 I CA 0.926 62.240 61.300 0.024 0.000 1.472 30 I CB -0.489 37.513 38.000 0.002 0.000 1.089 30 I HN -0.155 nan 8.210 nan 0.000 0.468 31 L N -0.188 121.033 121.223 -0.003 0.000 2.610 31 L HA -0.033 4.308 4.340 0.001 0.000 0.232 31 L C 2.244 179.178 176.870 0.107 0.000 1.149 31 L CA 0.840 55.697 54.840 0.027 0.000 0.872 31 L CB -0.586 41.448 42.059 -0.043 0.000 0.992 31 L HN 0.378 nan 8.230 nan 0.000 0.447 32 S N -1.909 113.847 115.700 0.093 0.000 2.561 32 S HA -0.049 4.422 4.470 0.001 0.000 0.225 32 S C 1.092 175.768 174.600 0.127 0.000 0.977 32 S CA 0.212 58.471 58.200 0.099 0.000 0.926 32 S CB -0.811 62.434 63.200 0.074 0.000 0.769 32 S HN 0.471 nan 8.310 nan 0.000 0.533 33 T N -0.153 114.499 114.554 0.163 0.000 2.922 33 T HA 0.625 4.976 4.350 0.001 0.000 0.285 33 T C -0.133 174.653 174.700 0.144 0.000 1.005 33 T CA -0.699 61.492 62.100 0.151 0.000 1.061 33 T CB 1.485 70.442 68.868 0.149 0.000 1.007 33 T HN 0.189 nan 8.240 nan 0.000 0.502 34 V N 1.658 121.620 119.914 0.080 0.000 2.644 34 V HA 0.584 4.705 4.120 0.001 0.000 0.295 34 V C -0.040 175.996 176.094 -0.097 0.000 1.053 34 V CA -0.847 61.461 62.300 0.013 0.000 0.987 34 V CB 1.204 33.067 31.823 0.067 0.000 1.006 34 V HN 1.123 nan 8.190 nan 0.000 0.472 35 K N 5.805 126.060 120.400 -0.243 0.000 2.221 35 K HA 0.633 4.954 4.320 0.001 0.000 0.258 35 K C -1.285 175.218 176.600 -0.163 0.000 0.944 35 K CA -0.629 55.471 56.287 -0.312 0.000 0.823 35 K CB 1.399 33.479 32.500 -0.699 0.000 1.113 35 K HN 0.731 nan 8.250 nan 0.000 0.431 36 I N 3.997 124.507 120.570 -0.100 0.000 2.466 36 I HA 0.181 4.352 4.170 0.001 0.000 0.279 36 I C -0.840 175.237 176.117 -0.066 0.000 1.033 36 I CA -0.710 60.554 61.300 -0.060 0.000 1.123 36 I CB 1.540 39.526 38.000 -0.023 0.000 1.237 36 I HN 0.534 nan 8.210 nan 0.000 0.460 37 D N 5.827 126.186 120.400 -0.069 0.000 2.198 37 D HA 0.379 5.020 4.640 0.001 0.000 0.245 37 D C -0.588 175.665 176.300 -0.079 0.000 1.079 37 D CA -0.080 53.889 54.000 -0.051 0.000 0.854 37 D CB 3.010 43.792 40.800 -0.029 0.000 1.148 37 D HN 0.073 nan 8.370 nan 0.000 0.456 38 V N 2.934 122.805 119.914 -0.071 0.000 2.376 38 V HA 0.323 4.444 4.120 0.001 0.000 0.287 38 V C 0.548 176.615 176.094 -0.046 0.000 1.015 38 V CA -0.544 61.688 62.300 -0.114 0.000 0.834 38 V CB 1.555 33.312 31.823 -0.111 0.000 1.001 38 V HN 0.664 nan 8.190 nan 0.000 0.428 39 T N 0.388 114.923 114.554 -0.032 0.000 2.905 39 T HA 0.386 4.737 4.350 0.001 0.000 0.283 39 T C 0.944 175.643 174.700 -0.002 0.000 1.031 39 T CA -0.748 61.353 62.100 0.001 0.000 1.002 39 T CB 1.432 70.316 68.868 0.026 0.000 1.200 39 T HN 0.254 nan 8.240 nan 0.000 0.560 40 N N 0.759 119.465 118.700 0.009 0.000 2.094 40 N HA -0.123 4.617 4.740 0.001 0.000 0.191 40 N C 1.618 177.138 175.510 0.017 0.000 1.023 40 N CA 1.289 54.343 53.050 0.007 0.000 0.857 40 N CB -0.296 38.197 38.487 0.010 0.000 1.013 40 N HN 0.611 nan 8.380 nan 0.000 0.426 41 E N -0.035 120.200 120.200 0.059 0.000 2.208 41 E HA 0.105 4.456 4.350 0.001 0.000 0.193 41 E C 1.253 177.928 176.600 0.124 0.000 0.988 41 E CA 0.523 56.994 56.400 0.119 0.000 0.828 41 E CB -0.028 29.775 29.700 0.171 0.000 0.763 41 E HN 0.383 nan 8.360 nan 0.000 0.478 42 G N -0.305 108.539 108.800 0.073 0.000 2.333 42 G HA2 0.297 4.258 3.960 0.001 0.000 0.288 42 G HA3 0.297 4.258 3.960 0.001 0.000 0.288 42 G C -1.441 173.363 174.900 -0.160 0.000 1.286 42 G CA -0.910 44.101 45.100 -0.149 0.000 0.865 42 G HN -0.001 nan 8.290 nan 0.000 0.506 43 I N 0.807 121.157 120.570 -0.367 0.000 2.460 43 I HA 0.533 4.704 4.170 0.001 0.000 0.298 43 I C -0.129 175.912 176.117 -0.126 0.000 0.989 43 I CA -0.575 60.531 61.300 -0.323 0.000 1.173 43 I CB 2.269 39.940 38.000 -0.548 0.000 1.338 43 I HN 0.378 nan 8.210 nan 0.000 0.456 44 T N 6.820 121.375 114.554 0.003 0.000 2.812 44 T HA 0.540 4.891 4.350 0.001 0.000 0.282 44 T C -0.361 174.353 174.700 0.022 0.000 0.990 44 T CA -0.521 61.643 62.100 0.106 0.000 0.960 44 T CB 1.095 70.050 68.868 0.145 0.000 0.948 44 T HN 0.259 nan 8.240 nan 0.000 0.438 45 L N 4.278 125.523 121.223 0.037 0.000 2.265 45 L HA 0.577 4.918 4.340 0.001 0.000 0.289 45 L C -0.397 176.480 176.870 0.011 0.000 1.033 45 L CA -0.698 54.151 54.840 0.016 0.000 0.814 45 L CB 0.830 42.905 42.059 0.026 0.000 1.203 45 L HN 0.496 nan 8.230 nan 0.000 0.423 46 I N 2.515 123.059 120.570 -0.044 0.000 2.404 46 I HA 0.652 4.823 4.170 0.001 0.000 0.293 46 I C 0.416 176.507 176.117 -0.044 0.000 0.992 46 I CA -0.364 60.908 61.300 -0.045 0.000 1.149 46 I CB 1.961 39.896 38.000 -0.108 0.000 1.315 46 I HN 0.629 nan 8.210 nan 0.000 0.446 47 G N 3.272 112.117 108.800 0.076 0.000 2.659 47 G HA2 0.755 4.716 3.960 0.001 0.000 0.296 47 G HA3 0.755 4.716 3.960 0.001 0.000 0.296 47 G C -1.277 173.739 174.900 0.195 0.000 1.369 47 G CA -0.466 44.722 45.100 0.147 0.000 0.937 47 G HN 0.671 nan 8.290 nan 0.000 0.485 48 S N -0.537 115.293 115.700 0.216 0.000 2.567 48 S HA 0.565 5.036 4.470 0.001 0.000 0.270 48 S C -0.453 174.203 174.600 0.093 0.000 1.152 48 S CA -0.689 57.596 58.200 0.141 0.000 0.835 48 S CB 1.978 65.249 63.200 0.119 0.000 1.115 48 S HN 1.096 nan 8.310 nan 0.000 0.459 49 N N -0.629 118.105 118.700 0.056 0.000 2.184 49 N HA 0.361 5.102 4.740 0.001 0.000 0.234 49 N C 1.084 176.601 175.510 0.012 0.000 1.282 49 N CA 0.333 53.406 53.050 0.037 0.000 0.877 49 N CB 0.534 39.054 38.487 0.055 0.000 1.184 49 N HN 1.778 nan 8.380 nan 0.000 0.510 50 G N -0.005 108.792 108.800 -0.005 0.000 2.241 50 G HA2 -0.323 3.637 3.960 0.001 0.000 0.244 50 G HA3 -0.323 3.637 3.960 0.001 0.000 0.244 50 G C 0.884 175.780 174.900 -0.007 0.000 0.998 50 G CA 0.595 45.684 45.100 -0.019 0.000 0.621 50 G HN 0.333 nan 8.290 nan 0.000 0.519 51 Q N -0.259 119.546 119.800 0.009 0.000 2.481 51 Q HA 0.391 4.732 4.340 0.001 0.000 0.219 51 Q C 1.664 177.661 176.000 -0.006 0.000 0.920 51 Q CA 1.410 57.221 55.803 0.013 0.000 0.915 51 Q CB 0.573 29.332 28.738 0.036 0.000 1.057 51 Q HN 0.936 nan 8.270 nan 0.000 0.581 52 I N -2.360 118.207 120.570 -0.006 0.000 2.892 52 I HA 0.678 4.849 4.170 0.001 0.000 0.306 52 I C -0.723 175.391 176.117 -0.005 0.000 1.078 52 I CA -0.890 60.368 61.300 -0.070 0.000 1.032 52 I CB 2.521 40.473 38.000 -0.081 0.000 1.229 52 I HN -0.283 nan 8.210 nan 0.000 0.435 53 S N 3.883 119.583 115.700 0.001 0.000 2.540 53 S HA 0.701 5.172 4.470 0.001 0.000 0.275 53 S C -0.732 173.999 174.600 0.218 0.000 1.123 53 S CA -0.536 57.732 58.200 0.112 0.000 0.907 53 S CB 1.953 65.198 63.200 0.075 0.000 1.081 53 S HN 0.523 nan 8.310 nan 0.000 0.476 54 I N 2.032 122.741 120.570 0.231 0.000 2.465 54 I HA 0.369 4.540 4.170 0.001 0.000 0.291 54 I C -0.546 175.685 176.117 0.191 0.000 1.014 54 I CA -0.406 61.047 61.300 0.254 0.000 1.093 54 I CB 1.993 40.116 38.000 0.206 0.000 1.267 54 I HN 0.555 nan 8.210 nan 0.000 0.431 55 E N 4.901 125.224 120.200 0.204 0.000 2.149 55 E HA 0.247 4.598 4.350 0.001 0.000 0.255 55 E C -0.980 175.695 176.600 0.125 0.000 0.888 55 E CA -0.637 55.854 56.400 0.152 0.000 0.742 55 E CB 1.448 31.253 29.700 0.175 0.000 1.164 55 E HN 0.301 nan 8.360 nan 0.000 0.422 56 N N 3.350 122.105 118.700 0.093 0.000 2.457 56 N HA 0.177 4.918 4.740 0.001 0.000 0.250 56 N C -1.660 173.927 175.510 0.129 0.000 0.982 56 N CA -0.493 52.603 53.050 0.077 0.000 0.941 56 N CB 0.407 38.899 38.487 0.009 0.000 1.120 56 N HN 0.323 nan 8.380 nan 0.000 0.505 57 F N 4.867 124.807 119.950 -0.018 0.000 2.408 57 F HA 0.572 5.100 4.527 0.001 0.000 0.344 57 F C -0.505 175.276 175.800 -0.033 0.000 1.112 57 F CA -0.958 57.025 58.000 -0.029 0.000 1.096 57 F CB 0.582 39.569 39.000 -0.021 0.000 1.129 57 F HN 0.340 nan 8.300 nan 0.000 0.486 58 I N 6.004 126.165 120.570 -0.681 0.000 2.328 58 I HA 0.226 4.397 4.170 0.001 0.000 0.287 58 I C -0.118 175.346 176.117 -1.087 0.000 1.012 58 I CA -0.674 60.230 61.300 -0.659 0.000 1.195 58 I CB 1.279 39.076 38.000 -0.338 0.000 1.350 58 I HN 0.671 nan 8.210 nan 0.000 0.464 59 S N 5.064 120.170 115.700 -0.990 0.000 2.565 59 S HA 0.105 4.575 4.470 0.001 0.000 0.274 59 S C 1.003 175.417 174.600 -0.310 0.000 1.309 59 S CA -0.403 57.400 58.200 -0.662 0.000 1.043 59 S CB 1.683 64.788 63.200 -0.158 0.000 0.939 59 S HN 0.791 nan 8.310 nan 0.000 0.504 60 Q N 2.553 122.233 119.800 -0.201 0.000 2.096 60 Q HA -0.225 4.115 4.340 0.001 0.000 0.208 60 Q C 1.392 177.342 176.000 -0.085 0.000 0.993 60 Q CA 1.861 57.588 55.803 -0.127 0.000 0.862 60 Q CB -0.251 28.442 28.738 -0.076 0.000 0.915 60 Q HN 0.865 nan 8.270 nan 0.000 0.416 61 K N 0.780 121.149 120.400 -0.052 0.000 2.504 61 K HA -0.028 4.293 4.320 0.001 0.000 0.195 61 K C 0.482 177.062 176.600 -0.033 0.000 1.036 61 K CA -0.021 56.249 56.287 -0.028 0.000 0.984 61 K CB -0.118 32.382 32.500 0.001 0.000 0.788 61 K HN 0.130 nan 8.250 nan 0.000 0.488 62 N N 2.449 121.113 118.700 -0.059 0.000 2.438 62 N HA -0.099 4.642 4.740 0.001 0.000 0.267 62 N C 0.629 176.112 175.510 -0.046 0.000 1.222 62 N CA 0.390 53.407 53.050 -0.054 0.000 0.930 62 N CB 0.999 39.436 38.487 -0.082 0.000 1.083 62 N HN 0.158 nan 8.380 nan 0.000 0.476 63 E N 2.679 122.861 120.200 -0.029 0.000 2.118 63 E HA -0.209 4.142 4.350 0.001 0.000 0.195 63 E C 0.136 176.722 176.600 -0.024 0.000 0.992 63 E CA 1.372 57.758 56.400 -0.024 0.000 0.804 63 E CB 0.218 29.909 29.700 -0.015 0.000 0.741 63 E HN 0.590 nan 8.360 nan 0.000 0.458 64 D N -0.123 120.262 120.400 -0.025 0.000 2.269 64 D HA -0.058 4.583 4.640 0.001 0.000 0.208 64 D C 1.626 177.913 176.300 -0.023 0.000 0.963 64 D CA 1.005 54.993 54.000 -0.021 0.000 0.864 64 D CB -0.138 40.651 40.800 -0.018 0.000 0.936 64 D HN 0.302 nan 8.370 nan 0.000 0.505 65 A N 0.535 123.332 122.820 -0.038 0.000 2.014 65 A HA 0.212 4.533 4.320 0.001 0.000 0.218 65 A C 1.843 179.405 177.584 -0.036 0.000 1.163 65 A CA 1.176 53.187 52.037 -0.044 0.000 0.652 65 A CB -0.740 18.209 19.000 -0.086 0.000 0.808 65 A HN 0.243 nan 8.150 nan 0.000 0.449 66 G N -0.937 107.842 108.800 -0.035 0.000 2.393 66 G HA2 -0.134 3.826 3.960 0.001 0.000 0.299 66 G HA3 -0.134 3.826 3.960 0.001 0.000 0.299 66 G C -0.127 174.752 174.900 -0.036 0.000 0.990 66 G CA 0.558 45.640 45.100 -0.030 0.000 1.118 66 G HN 1.035 nan 8.290 nan 0.000 0.513 67 L N 0.901 122.090 121.223 -0.057 0.000 2.255 67 L HA 0.761 5.102 4.340 0.001 0.000 0.289 67 L C -0.180 176.656 176.870 -0.057 0.000 1.046 67 L CA -0.939 53.859 54.840 -0.071 0.000 0.816 67 L CB 1.664 43.639 42.059 -0.140 0.000 1.197 67 L HN 0.240 nan 8.230 nan 0.000 0.427 68 L N 7.180 128.385 121.223 -0.030 0.000 2.319 68 L HA 0.617 4.958 4.340 0.001 0.000 0.281 68 L C -0.219 176.633 176.870 -0.032 0.000 1.005 68 L CA -0.273 54.542 54.840 -0.041 0.000 0.828 68 L CB 1.168 43.197 42.059 -0.050 0.000 1.227 68 L HN 0.640 nan 8.230 nan 0.000 0.415 69 I N 4.099 124.645 120.570 -0.040 0.000 2.339 69 I HA 0.384 4.555 4.170 0.001 0.000 0.290 69 I C 1.079 177.171 176.117 -0.041 0.000 0.994 69 I CA -0.102 61.187 61.300 -0.018 0.000 1.191 69 I CB 2.173 40.148 38.000 -0.041 0.000 1.343 69 I HN 0.692 nan 8.210 nan 0.000 0.458 70 T N 1.871 116.388 114.554 -0.062 0.000 3.056 70 T HA 0.159 4.510 4.350 0.001 0.000 0.241 70 T C 0.525 175.246 174.700 0.035 0.000 1.006 70 T CA 0.147 62.215 62.100 -0.055 0.000 1.115 70 T CB 0.357 69.123 68.868 -0.169 0.000 0.939 70 T HN 0.477 nan 8.240 nan 0.000 0.462 71 S N 0.826 116.580 115.700 0.090 0.000 2.541 71 S HA 0.647 5.118 4.470 0.001 0.000 0.280 71 S C -0.631 174.033 174.600 0.107 0.000 1.112 71 S CA -0.828 57.437 58.200 0.107 0.000 0.925 71 S CB 1.693 64.980 63.200 0.144 0.000 1.067 71 S HN 0.208 nan 8.310 nan 0.000 0.479 72 L N 1.843 123.108 121.223 0.070 0.000 2.468 72 L HA 0.859 5.200 4.340 0.001 0.000 0.254 72 L C 0.994 177.903 176.870 0.066 0.000 1.171 72 L CA -0.308 54.564 54.840 0.053 0.000 0.809 72 L CB 0.442 42.519 42.059 0.030 0.000 1.155 72 L HN 0.916 nan 8.230 nan 0.000 0.473 73 G N -0.190 108.639 108.800 0.049 0.000 2.359 73 G HA2 0.246 4.207 3.960 0.001 0.000 0.293 73 G HA3 0.246 4.207 3.960 0.001 0.000 0.293 73 G C -1.813 173.111 174.900 0.040 0.000 1.300 73 G CA -0.304 44.827 45.100 0.052 0.000 0.888 73 G HN 0.621 nan 8.290 nan 0.000 0.541 74 S N -1.203 114.523 115.700 0.043 0.000 2.549 74 S HA 0.857 5.328 4.470 0.001 0.000 0.280 74 S C -1.333 173.293 174.600 0.044 0.000 1.109 74 S CA -0.379 57.837 58.200 0.027 0.000 0.905 74 S CB 1.577 64.784 63.200 0.010 0.000 1.081 74 S HN 1.583 nan 8.310 nan 0.000 0.477 75 I N 2.546 123.137 120.570 0.035 0.000 2.984 75 I HA 0.553 4.723 4.170 0.001 0.000 0.303 75 I C -2.006 174.113 176.117 0.002 0.000 1.381 75 I CA -0.616 60.710 61.300 0.044 0.000 0.988 75 I CB 1.966 40.031 38.000 0.107 0.000 1.307 75 I HN 0.711 nan 8.210 nan 0.000 0.460 76 L N 6.097 127.322 121.223 0.004 0.000 2.329 76 L HA 0.672 5.013 4.340 0.001 0.000 0.279 76 L C -1.228 175.631 176.870 -0.019 0.000 1.014 76 L CA -0.724 54.111 54.840 -0.009 0.000 0.814 76 L CB 1.585 43.668 42.059 0.040 0.000 1.257 76 L HN 0.396 nan 8.230 nan 0.000 0.424 77 L N 2.057 123.253 121.223 -0.046 0.000 2.388 77 L HA 0.415 4.756 4.340 0.001 0.000 0.264 77 L C -0.252 176.652 176.870 0.056 0.000 0.998 77 L CA -0.912 53.898 54.840 -0.049 0.000 0.817 77 L CB 2.333 44.219 42.059 -0.288 0.000 1.338 77 L HN 0.469 nan 8.230 nan 0.000 0.414 78 E N 1.417 121.686 120.200 0.116 0.000 2.406 78 E HA 0.041 4.392 4.350 0.001 0.000 0.258 78 E C 0.546 177.283 176.600 0.229 0.000 1.043 78 E CA 0.177 56.671 56.400 0.157 0.000 0.929 78 E CB 1.571 31.359 29.700 0.147 0.000 0.969 78 E HN 0.729 nan 8.360 nan 0.000 0.462 79 A N 3.792 126.727 122.820 0.191 0.000 1.858 79 A HA -0.180 4.141 4.320 0.001 0.000 0.216 79 A C 2.314 180.018 177.584 0.200 0.000 1.190 79 A CA 1.616 53.779 52.037 0.209 0.000 0.617 79 A CB -0.295 18.792 19.000 0.145 0.000 0.827 79 A HN 0.557 nan 8.150 nan 0.000 0.443 80 S N -1.064 114.735 115.700 0.165 0.000 2.359 80 S HA -0.190 4.281 4.470 0.001 0.000 0.222 80 S C 1.714 176.419 174.600 0.175 0.000 1.038 80 S CA 1.771 60.054 58.200 0.139 0.000 1.051 80 S CB -0.578 62.702 63.200 0.133 0.000 0.944 80 S HN 0.563 nan 8.310 nan 0.000 0.433 81 F N 1.577 121.578 119.950 0.084 0.000 2.069 81 F HA -0.134 4.394 4.527 0.001 0.000 0.298 81 F C 1.976 177.851 175.800 0.124 0.000 1.113 81 F CA 1.310 59.362 58.000 0.086 0.000 1.214 81 F CB -0.779 38.274 39.000 0.088 0.000 0.978 81 F HN 0.233 nan 8.300 nan 0.000 0.474 82 F N 0.898 120.861 119.950 0.021 0.000 2.065 82 F HA -0.241 4.287 4.527 0.001 0.000 0.298 82 F C 2.199 177.931 175.800 -0.114 0.000 1.112 82 F CA 1.848 59.813 58.000 -0.058 0.000 1.212 82 F CB -0.996 38.040 39.000 0.059 0.000 0.975 82 F HN 0.027 nan 8.300 nan 0.000 0.476 83 I N 0.424 120.872 120.570 -0.203 0.000 2.163 83 I HA -0.388 3.783 4.170 0.001 0.000 0.243 83 I C 2.238 178.179 176.117 -0.292 0.000 1.085 83 I CA 1.501 62.600 61.300 -0.335 0.000 1.347 83 I CB -0.695 37.210 38.000 -0.158 0.000 1.044 83 I HN 0.205 nan 8.210 nan 0.000 0.408 84 N N 0.497 119.071 118.700 -0.210 0.000 2.149 84 N HA -0.150 4.591 4.740 0.001 0.000 0.188 84 N C 1.893 177.240 175.510 -0.272 0.000 1.019 84 N CA 1.252 54.179 53.050 -0.204 0.000 0.857 84 N CB -0.370 38.022 38.487 -0.158 0.000 0.997 84 N HN 0.194 nan 8.380 nan 0.000 0.426 85 V N 0.730 120.411 119.914 -0.388 0.000 2.323 85 V HA -0.140 3.981 4.120 0.001 0.000 0.244 85 V C 2.479 178.416 176.094 -0.261 0.000 1.041 85 V CA 0.980 63.069 62.300 -0.352 0.000 1.025 85 V CB -0.427 31.153 31.823 -0.406 0.000 0.656 85 V HN 0.026 nan 8.190 nan 0.000 0.451 86 V N -0.115 119.588 119.914 -0.352 0.000 2.252 86 V HA -0.313 3.808 4.120 0.001 0.000 0.249 86 V C 2.725 178.714 176.094 -0.174 0.000 1.056 86 V CA 2.567 64.704 62.300 -0.271 0.000 1.022 86 V CB -0.863 30.697 31.823 -0.438 0.000 0.641 86 V HN 0.654 nan 8.190 nan 0.000 0.445 87 S N 0.500 116.081 115.700 -0.198 0.000 2.407 87 S HA -0.240 4.231 4.470 0.001 0.000 0.235 87 S C 2.107 176.647 174.600 -0.099 0.000 1.036 87 S CA 2.243 60.363 58.200 -0.134 0.000 1.013 87 S CB -0.452 62.666 63.200 -0.136 0.000 0.820 87 S HN 0.847 nan 8.310 nan 0.000 0.476 88 S N 0.294 115.927 115.700 -0.112 0.000 2.522 88 S HA 0.232 4.703 4.470 0.001 0.000 0.227 88 S C 0.630 175.192 174.600 -0.063 0.000 0.986 88 S CA -0.280 57.870 58.200 -0.083 0.000 0.929 88 S CB -0.629 62.515 63.200 -0.094 0.000 0.769 88 S HN 0.492 nan 8.310 nan 0.000 0.529 89 L N 2.297 123.483 121.223 -0.062 0.000 2.461 89 L HA 0.240 4.581 4.340 0.001 0.000 0.272 89 L C -0.975 175.878 176.870 -0.027 0.000 1.197 89 L CA -1.539 53.277 54.840 -0.040 0.000 0.836 89 L CB 0.326 42.367 42.059 -0.029 0.000 1.105 89 L HN 0.085 nan 8.230 nan 0.000 0.477 90 P HA 0.035 nan 4.420 nan 0.000 0.222 90 P C -0.158 177.135 177.300 -0.011 0.000 1.157 90 P CA 0.627 63.718 63.100 -0.016 0.000 0.816 90 P CB 0.351 32.042 31.700 -0.015 0.000 0.813 91 D N -1.206 119.190 120.400 -0.007 0.000 2.326 91 D HA 0.138 4.779 4.640 0.001 0.000 0.251 91 D C 1.453 177.754 176.300 0.003 0.000 1.023 91 D CA -0.720 53.278 54.000 -0.003 0.000 0.966 91 D CB 1.562 42.361 40.800 -0.002 0.000 1.156 91 D HN -0.351 nan 8.370 nan 0.000 0.494 92 V N -0.100 119.815 119.914 0.003 0.000 2.515 92 V HA -0.067 4.054 4.120 0.001 0.000 0.250 92 V C 1.166 177.269 176.094 0.015 0.000 1.058 92 V CA 1.864 64.168 62.300 0.007 0.000 1.064 92 V CB -0.527 31.298 31.823 0.003 0.000 0.675 92 V HN 0.758 nan 8.190 nan 0.000 0.461 93 T N -0.914 113.647 114.554 0.012 0.000 2.940 93 T HA 0.745 5.095 4.350 0.001 0.000 0.288 93 T C -0.864 173.845 174.700 0.015 0.000 1.045 93 T CA -0.726 61.383 62.100 0.014 0.000 1.018 93 T CB 2.235 71.105 68.868 0.004 0.000 1.151 93 T HN 0.237 nan 8.240 nan 0.000 0.529 94 L N -1.575 119.655 121.223 0.012 0.000 2.465 94 L HA 0.878 5.219 4.340 0.001 0.000 0.257 94 L C -1.505 175.352 176.870 -0.022 0.000 0.988 94 L CA -0.908 53.937 54.840 0.008 0.000 0.827 94 L CB 1.838 43.923 42.059 0.043 0.000 1.397 94 L HN 0.684 nan 8.230 nan 0.000 0.410 95 D N 0.925 121.311 120.400 -0.022 0.000 2.198 95 D HA 0.530 5.171 4.640 0.001 0.000 0.245 95 D C -1.653 174.604 176.300 -0.071 0.000 1.079 95 D CA 0.016 53.999 54.000 -0.028 0.000 0.854 95 D CB 1.206 42.022 40.800 0.027 0.000 1.148 95 D HN 0.574 nan 8.370 nan 0.000 0.456 96 F N 3.977 123.695 119.950 -0.386 0.000 2.430 96 F HA 0.381 4.909 4.527 0.001 0.000 0.362 96 F C -0.912 174.702 175.800 -0.309 0.000 1.103 96 F CA -0.862 56.839 58.000 -0.498 0.000 1.045 96 F CB 0.730 38.974 39.000 -1.259 0.000 1.276 96 F HN 0.125 nan 8.300 nan 0.000 0.444 97 K N 5.643 125.954 120.400 -0.148 0.000 2.450 97 K HA 0.252 4.572 4.320 0.001 0.000 0.257 97 K C -0.598 175.924 176.600 -0.130 0.000 0.953 97 K CA -0.553 55.643 56.287 -0.152 0.000 0.844 97 K CB 1.255 33.509 32.500 -0.411 0.000 1.103 97 K HN 0.742 nan 8.250 nan 0.000 0.429 98 E N 4.877 125.083 120.200 0.010 0.000 2.383 98 E HA 0.220 4.571 4.350 0.001 0.000 0.264 98 E C -0.277 176.301 176.600 -0.038 0.000 1.050 98 E CA -0.349 56.054 56.400 0.006 0.000 0.896 98 E CB 0.614 30.372 29.700 0.096 0.000 0.982 98 E HN 0.594 nan 8.360 nan 0.000 0.424 99 I N -0.606 119.940 120.570 -0.041 0.000 3.516 99 I HA 0.347 4.518 4.170 0.001 0.000 0.307 99 I C -0.620 175.484 176.117 -0.021 0.000 1.157 99 I CA -1.250 60.027 61.300 -0.040 0.000 0.983 99 I CB 1.291 39.256 38.000 -0.058 0.000 1.351 99 I HN 0.422 nan 8.210 nan 0.000 0.484 100 E N 1.576 121.764 120.200 -0.020 0.000 2.966 100 E HA -0.180 4.171 4.350 0.001 0.000 0.254 100 E C -0.785 175.809 176.600 -0.010 0.000 0.923 100 E CA 0.514 56.907 56.400 -0.012 0.000 0.960 100 E CB -0.139 29.553 29.700 -0.013 0.000 0.901 100 E HN 0.720 nan 8.360 nan 0.000 0.525 101 Q N 2.073 121.871 119.800 -0.003 0.000 2.461 101 Q HA -0.215 4.126 4.340 0.001 0.000 0.298 101 Q C -0.638 175.361 176.000 -0.001 0.000 1.399 101 Q CA 0.580 56.382 55.803 -0.001 0.000 0.778 101 Q CB -1.464 27.272 28.738 -0.004 0.000 1.130 101 Q HN 0.806 nan 8.270 nan 0.000 0.407 102 N N -0.774 117.929 118.700 0.004 0.000 2.725 102 N HA -0.202 4.539 4.740 0.001 0.000 0.249 102 N C -0.654 174.852 175.510 -0.006 0.000 1.103 102 N CA 1.565 54.619 53.050 0.007 0.000 0.707 102 N CB -0.498 37.996 38.487 0.011 0.000 1.043 102 N HN 0.624 nan 8.380 nan 0.000 0.553 103 Q N -0.037 119.752 119.800 -0.020 0.000 2.235 103 Q HA 0.669 5.010 4.340 0.001 0.000 0.256 103 Q C -0.149 175.803 176.000 -0.080 0.000 0.951 103 Q CA -0.447 55.330 55.803 -0.042 0.000 0.890 103 Q CB 1.936 30.651 28.738 -0.039 0.000 1.279 103 Q HN 0.072 nan 8.270 nan 0.000 0.444 104 I N 1.873 122.360 120.570 -0.139 0.000 2.436 104 I HA 0.322 4.492 4.170 0.001 0.000 0.289 104 I C -0.377 175.582 176.117 -0.262 0.000 1.010 104 I CA -0.784 60.346 61.300 -0.284 0.000 1.098 104 I CB 1.711 39.401 38.000 -0.517 0.000 1.266 104 I HN 0.441 nan 8.210 nan 0.000 0.434 105 V N 6.750 126.507 119.914 -0.263 0.000 2.407 105 V HA 0.465 4.585 4.120 0.001 0.000 0.278 105 V C 0.004 175.951 176.094 -0.244 0.000 1.037 105 V CA -0.479 61.704 62.300 -0.196 0.000 0.900 105 V CB 1.395 33.128 31.823 -0.150 0.000 0.983 105 V HN 0.596 nan 8.190 nan 0.000 0.459 106 L N 4.979 126.101 121.223 -0.169 0.000 2.277 106 L HA 0.474 4.815 4.340 0.001 0.000 0.284 106 L C 0.113 176.940 176.870 -0.072 0.000 1.028 106 L CA -0.092 54.673 54.840 -0.126 0.000 0.835 106 L CB 1.408 43.432 42.059 -0.058 0.000 1.215 106 L HN 0.609 nan 8.230 nan 0.000 0.425 107 T N 1.033 115.550 114.554 -0.062 0.000 2.767 107 T HA 0.399 4.750 4.350 0.001 0.000 0.284 107 T C -0.048 174.639 174.700 -0.021 0.000 0.973 107 T CA -0.524 61.553 62.100 -0.038 0.000 0.996 107 T CB 1.487 70.334 68.868 -0.035 0.000 0.927 107 T HN 0.447 nan 8.240 nan 0.000 0.456 108 S N 2.561 118.251 115.700 -0.017 0.000 2.673 108 S HA 0.590 5.061 4.470 0.001 0.000 0.256 108 S C 0.555 175.149 174.600 -0.011 0.000 1.141 108 S CA 0.344 58.539 58.200 -0.009 0.000 1.109 108 S CB -0.283 62.913 63.200 -0.006 0.000 1.101 108 S HN 1.357 nan 8.310 nan 0.000 0.471 109 G N 5.018 113.813 108.800 -0.008 0.000 2.531 109 G HA2 -0.248 3.713 3.960 0.001 0.000 0.274 109 G HA3 -0.248 3.713 3.960 0.001 0.000 0.274 109 G C 0.215 175.109 174.900 -0.010 0.000 1.159 109 G CA 0.305 45.401 45.100 -0.008 0.000 0.969 109 G HN 0.689 nan 8.290 nan 0.000 0.554 110 K N 0.571 120.964 120.400 -0.010 0.000 2.437 110 K HA 0.366 4.687 4.320 0.001 0.000 0.198 110 K C 0.720 177.313 176.600 -0.013 0.000 1.024 110 K CA 0.687 56.968 56.287 -0.011 0.000 1.148 110 K CB 0.555 33.050 32.500 -0.009 0.000 0.860 110 K HN 0.384 nan 8.250 nan 0.000 0.515 111 S N 1.706 117.397 115.700 -0.015 0.000 2.438 111 S HA 0.154 4.625 4.470 0.001 0.000 0.316 111 S C -1.005 173.582 174.600 -0.022 0.000 1.084 111 S CA -0.635 57.554 58.200 -0.017 0.000 1.107 111 S CB 0.956 64.145 63.200 -0.019 0.000 0.981 111 S HN 0.228 nan 8.310 nan 0.000 0.466 112 E N 5.063 125.249 120.200 -0.023 0.000 2.158 112 E HA 0.551 4.901 4.350 0.001 0.000 0.271 112 E C -1.199 175.385 176.600 -0.028 0.000 0.911 112 E CA -0.598 55.784 56.400 -0.030 0.000 0.767 112 E CB 0.906 30.587 29.700 -0.031 0.000 1.120 112 E HN 0.682 nan 8.360 nan 0.000 0.405 113 I N 3.537 124.086 120.570 -0.035 0.000 2.512 113 I HA 0.210 4.380 4.170 0.001 0.000 0.287 113 I C -0.737 175.360 176.117 -0.033 0.000 1.069 113 I CA -0.655 60.631 61.300 -0.023 0.000 1.056 113 I CB 2.321 40.307 38.000 -0.023 0.000 1.229 113 I HN 0.410 nan 8.210 nan 0.000 0.429 114 T N 7.221 121.765 114.554 -0.016 0.000 2.758 114 T HA 0.649 4.999 4.350 0.001 0.000 0.285 114 T C -0.243 174.467 174.700 0.015 0.000 0.981 114 T CA -0.362 61.721 62.100 -0.028 0.000 0.965 114 T CB 1.035 69.886 68.868 -0.028 0.000 0.927 114 T HN 0.266 nan 8.240 nan 0.000 0.448 115 L N 2.556 123.782 121.223 0.005 0.000 2.342 115 L HA 0.625 4.966 4.340 0.001 0.000 0.271 115 L C -0.039 176.844 176.870 0.021 0.000 1.008 115 L CA -1.335 53.547 54.840 0.069 0.000 0.818 115 L CB 1.791 43.924 42.059 0.124 0.000 1.296 115 L HN 0.329 nan 8.230 nan 0.000 0.427 116 K N 1.166 121.590 120.400 0.040 0.000 2.276 116 K HA 0.548 4.869 4.320 0.001 0.000 0.285 116 K C -0.076 176.532 176.600 0.013 0.000 1.062 116 K CA -0.054 56.240 56.287 0.013 0.000 0.918 116 K CB 1.073 33.578 32.500 0.008 0.000 1.055 116 K HN 0.659 nan 8.250 nan 0.000 0.477 117 G N 2.951 111.750 108.800 -0.002 0.000 2.938 117 G HA2 0.549 4.509 3.960 0.001 0.000 0.258 117 G HA3 0.549 4.509 3.960 0.001 0.000 0.258 117 G C -1.112 173.796 174.900 0.012 0.000 1.356 117 G CA -0.685 44.415 45.100 0.001 0.000 1.052 117 G HN 0.510 nan 8.290 nan 0.000 0.550 118 K N -0.068 120.344 120.400 0.020 0.000 2.469 118 K HA 0.252 4.573 4.320 0.001 0.000 0.254 118 K C -1.217 175.404 176.600 0.034 0.000 0.939 118 K CA -0.769 55.535 56.287 0.029 0.000 0.812 118 K CB 2.484 35.009 32.500 0.041 0.000 1.301 118 K HN 0.539 nan 8.250 nan 0.000 0.433 119 D N 0.911 121.331 120.400 0.034 0.000 2.488 119 D HA -0.051 4.590 4.640 0.001 0.000 0.238 119 D C 0.423 176.753 176.300 0.050 0.000 1.138 119 D CA 0.488 54.511 54.000 0.037 0.000 0.873 119 D CB 1.035 41.853 40.800 0.031 0.000 1.183 119 D HN 0.597 nan 8.370 nan 0.000 0.458 120 S N 1.965 117.695 115.700 0.050 0.000 2.575 120 S HA -0.022 4.449 4.470 0.001 0.000 0.215 120 S C 1.380 176.035 174.600 0.092 0.000 0.966 120 S CA -0.141 58.101 58.200 0.069 0.000 0.911 120 S CB 0.272 63.486 63.200 0.024 0.000 0.780 120 S HN 0.629 nan 8.310 nan 0.000 0.514 121 E N 1.952 122.191 120.200 0.066 0.000 2.150 121 E HA -0.207 4.144 4.350 0.001 0.000 0.193 121 E C 2.293 178.932 176.600 0.065 0.000 0.985 121 E CA 1.272 57.706 56.400 0.057 0.000 0.814 121 E CB -0.111 29.611 29.700 0.036 0.000 0.752 121 E HN 0.908 nan 8.360 nan 0.000 0.466 122 Q N -0.522 119.320 119.800 0.070 0.000 2.378 122 Q HA -0.137 4.204 4.340 0.001 0.000 0.205 122 Q C 0.189 176.225 176.000 0.059 0.000 0.954 122 Q CA 0.269 56.103 55.803 0.051 0.000 0.901 122 Q CB -0.312 28.450 28.738 0.040 0.000 0.981 122 Q HN 0.266 nan 8.270 nan 0.000 0.483 123 Y N 4.253 124.552 120.300 -0.001 0.000 2.442 123 Y HA 0.141 4.692 4.550 0.001 0.000 0.330 123 Y C -1.969 173.924 175.900 -0.011 0.000 1.129 123 Y CA -2.305 55.793 58.100 -0.003 0.000 1.365 123 Y CB 0.709 39.170 38.460 0.002 0.000 1.233 123 Y HN 0.116 nan 8.280 nan 0.000 0.529 124 P HA 0.159 nan 4.420 nan 0.000 0.271 124 P C -0.552 176.744 177.300 -0.008 0.000 1.233 124 P CA -0.062 62.938 63.100 -0.166 0.000 0.764 124 P CB 0.405 31.941 31.700 -0.273 0.000 0.825 125 R N 3.819 124.334 120.500 0.024 0.000 2.698 125 R HA 0.178 4.519 4.340 0.001 0.000 0.266 125 R C 0.487 176.765 176.300 -0.036 0.000 1.026 125 R CA -0.041 56.073 56.100 0.024 0.000 1.102 125 R CB -0.741 29.558 30.300 -0.002 0.000 0.978 125 R HN 0.583 nan 8.270 nan 0.000 0.436 126 I N 1.927 122.456 120.570 -0.068 0.000 2.395 126 I HA 0.333 4.504 4.170 0.001 0.000 0.289 126 I C 1.417 177.408 176.117 -0.210 0.000 1.023 126 I CA -0.276 60.914 61.300 -0.184 0.000 1.350 126 I CB 1.458 39.270 38.000 -0.314 0.000 1.409 126 I HN 0.901 nan 8.210 nan 0.000 0.507 127 Q N 4.206 123.882 119.800 -0.205 0.000 2.289 127 Q HA 0.413 4.754 4.340 0.001 0.000 0.273 127 Q C 0.137 176.026 176.000 -0.184 0.000 1.029 127 Q CA -0.112 55.600 55.803 -0.151 0.000 0.896 127 Q CB -0.065 28.610 28.738 -0.105 0.000 1.182 127 Q HN 0.770 nan 8.270 nan 0.000 0.385 128 E N 0.829 120.966 120.200 -0.104 0.000 2.152 128 E HA 0.587 4.938 4.350 0.001 0.000 0.285 128 E C 0.336 176.934 176.600 -0.003 0.000 1.043 128 E CA -0.047 56.322 56.400 -0.052 0.000 0.839 128 E CB 0.375 30.050 29.700 -0.043 0.000 1.069 128 E HN 1.898 nan 8.360 nan 0.000 0.399 129 I N 1.667 122.275 120.570 0.063 0.000 2.752 129 I HA 0.377 4.548 4.170 0.001 0.000 0.289 129 I C 1.061 177.170 176.117 -0.012 0.000 1.197 129 I CA -0.181 61.142 61.300 0.039 0.000 1.432 129 I CB -0.190 37.837 38.000 0.046 0.000 1.359 129 I HN 0.646 nan 8.210 nan 0.000 0.571 130 S N 4.374 120.079 115.700 0.009 0.000 2.568 130 S HA 0.469 4.940 4.470 0.001 0.000 0.282 130 S C 1.088 175.692 174.600 0.008 0.000 1.338 130 S CA 0.006 58.209 58.200 0.006 0.000 1.045 130 S CB 0.575 63.791 63.200 0.026 0.000 0.873 130 S HN 1.912 nan 8.310 nan 0.000 0.516 131 A N 2.363 125.180 122.820 -0.005 0.000 2.540 131 A HA 0.471 4.792 4.320 0.001 0.000 0.264 131 A C 0.726 178.373 177.584 0.104 0.000 1.080 131 A CA 0.481 52.526 52.037 0.015 0.000 0.776 131 A CB -1.168 17.836 19.000 0.007 0.000 1.011 131 A HN 0.989 nan 8.150 nan 0.000 0.514 132 S N 1.489 117.333 115.700 0.240 0.000 2.745 132 S HA 0.790 5.260 4.470 0.001 0.000 0.306 132 S C 0.226 174.973 174.600 0.245 0.000 1.137 132 S CA -0.527 57.824 58.200 0.251 0.000 0.900 132 S CB 0.692 64.058 63.200 0.277 0.000 1.176 132 S HN 0.605 nan 8.310 nan 0.000 0.520 133 T N 4.273 118.885 114.554 0.096 0.000 2.779 133 T HA 0.526 4.877 4.350 0.001 0.000 0.296 133 T C -2.238 172.329 174.700 -0.222 0.000 0.938 133 T CA -0.515 61.582 62.100 -0.005 0.000 1.119 133 T CB 0.603 69.475 68.868 0.006 0.000 0.891 133 T HN 0.485 nan 8.240 nan 0.000 0.526 134 P HA 0.325 nan 4.420 nan 0.000 0.274 134 P C -0.855 176.194 177.300 -0.420 0.000 1.237 134 P CA -0.820 61.741 63.100 -0.898 0.000 0.793 134 P CB 0.721 31.916 31.700 -0.842 0.000 0.977 135 L N 2.377 123.356 121.223 -0.408 0.000 2.307 135 L HA 0.489 4.830 4.340 0.001 0.000 0.284 135 L C -0.684 176.078 176.870 -0.180 0.000 1.023 135 L CA -0.465 54.273 54.840 -0.170 0.000 0.810 135 L CB 0.465 42.497 42.059 -0.045 0.000 1.231 135 L HN 0.212 nan 8.230 nan 0.000 0.423 136 I N 6.560 127.077 120.570 -0.088 0.000 2.362 136 I HA 0.387 4.558 4.170 0.001 0.000 0.289 136 I C -0.818 175.288 176.117 -0.018 0.000 0.994 136 I CA -0.477 60.786 61.300 -0.061 0.000 1.158 136 I CB 1.267 39.242 38.000 -0.041 0.000 1.315 136 I HN 0.512 nan 8.210 nan 0.000 0.451 137 L N 4.100 125.315 121.223 -0.013 0.000 2.381 137 L HA 0.346 4.687 4.340 0.001 0.000 0.268 137 L C 0.211 177.092 176.870 0.019 0.000 0.997 137 L CA -0.865 53.984 54.840 0.014 0.000 0.818 137 L CB 2.170 44.245 42.059 0.026 0.000 1.310 137 L HN 0.441 nan 8.230 nan 0.000 0.416 138 E N 0.329 120.544 120.200 0.025 0.000 2.480 138 E HA -0.019 4.332 4.350 0.001 0.000 0.258 138 E C 1.090 177.716 176.600 0.044 0.000 0.984 138 E CA 0.454 56.871 56.400 0.029 0.000 0.930 138 E CB 1.172 30.888 29.700 0.025 0.000 0.936 138 E HN 0.773 nan 8.360 nan 0.000 0.466 139 T N 2.068 116.654 114.554 0.054 0.000 2.867 139 T HA -0.239 4.112 4.350 0.001 0.000 0.268 139 T C 1.908 176.667 174.700 0.099 0.000 1.057 139 T CA 1.441 63.601 62.100 0.100 0.000 1.136 139 T CB -0.250 68.662 68.868 0.074 0.000 0.874 139 T HN 0.633 nan 8.240 nan 0.000 0.466 140 K N 1.435 121.870 120.400 0.059 0.000 2.211 140 K HA 0.047 4.368 4.320 0.001 0.000 0.203 140 K C 2.372 178.995 176.600 0.039 0.000 1.050 140 K CA 0.962 57.276 56.287 0.046 0.000 0.945 140 K CB -0.473 32.044 32.500 0.028 0.000 0.732 140 K HN 0.457 nan 8.250 nan 0.000 0.451 141 L N 0.772 122.017 121.223 0.036 0.000 2.027 141 L HA -0.120 4.221 4.340 0.001 0.000 0.206 141 L C 2.290 179.179 176.870 0.030 0.000 1.074 141 L CA 0.941 55.796 54.840 0.025 0.000 0.745 141 L CB -0.207 41.868 42.059 0.027 0.000 0.898 141 L HN 0.221 nan 8.230 nan 0.000 0.433 142 L N 0.296 121.544 121.223 0.043 0.000 1.994 142 L HA -0.258 4.082 4.340 0.001 0.000 0.208 142 L C 2.679 179.575 176.870 0.044 0.000 1.071 142 L CA 1.891 56.739 54.840 0.014 0.000 0.745 142 L CB -0.453 41.535 42.059 -0.118 0.000 0.892 142 L HN 0.174 nan 8.230 nan 0.000 0.431 143 K N -0.654 119.817 120.400 0.119 0.000 2.113 143 K HA -0.281 4.040 4.320 0.001 0.000 0.208 143 K C 2.163 178.796 176.600 0.054 0.000 1.047 143 K CA 1.662 58.023 56.287 0.122 0.000 0.928 143 K CB -0.183 32.385 32.500 0.115 0.000 0.716 143 K HN 0.229 nan 8.250 nan 0.000 0.446 144 K N 1.252 121.665 120.400 0.020 0.000 2.025 144 K HA -0.069 4.251 4.320 0.001 0.000 0.207 144 K C 2.061 178.617 176.600 -0.073 0.000 1.049 144 K CA 0.925 57.194 56.287 -0.030 0.000 0.933 144 K CB -0.015 32.459 32.500 -0.043 0.000 0.714 144 K HN 0.020 nan 8.250 nan 0.000 0.438 145 I N 1.054 121.592 120.570 -0.054 0.000 2.208 145 I HA -0.318 3.853 4.170 0.001 0.000 0.245 145 I C 2.143 178.235 176.117 -0.041 0.000 1.097 145 I CA 1.277 62.527 61.300 -0.083 0.000 1.363 145 I CB -0.161 37.821 38.000 -0.031 0.000 1.051 145 I HN 0.219 nan 8.210 nan 0.000 0.413 146 I N 0.550 121.140 120.570 0.032 0.000 2.179 146 I HA -0.320 3.851 4.170 0.001 0.000 0.242 146 I C 2.166 178.335 176.117 0.087 0.000 1.088 146 I CA 1.360 62.705 61.300 0.075 0.000 1.357 146 I CB -0.531 37.529 38.000 0.100 0.000 1.051 146 I HN 0.294 nan 8.210 nan 0.000 0.409 147 N N 0.660 119.403 118.700 0.072 0.000 2.309 147 N HA -0.157 4.583 4.740 0.001 0.000 0.182 147 N C 1.601 177.207 175.510 0.161 0.000 1.018 147 N CA 1.122 54.236 53.050 0.107 0.000 0.876 147 N CB -0.126 38.394 38.487 0.054 0.000 0.972 147 N HN 0.479 nan 8.380 nan 0.000 0.434 148 E N -0.812 119.400 120.200 0.020 0.000 2.358 148 E HA -0.038 4.312 4.350 0.001 0.000 0.195 148 E C 1.372 178.079 176.600 0.178 0.000 1.010 148 E CA 1.069 57.451 56.400 -0.031 0.000 0.856 148 E CB 0.286 29.580 29.700 -0.677 0.000 0.795 148 E HN 0.502 nan 8.360 nan 0.000 0.504 149 T N -3.812 110.771 114.554 0.050 0.000 3.105 149 T HA 0.275 4.625 4.350 0.001 0.000 0.257 149 T C 2.022 176.562 174.700 -0.266 0.000 0.949 149 T CA 0.270 62.283 62.100 -0.146 0.000 0.959 149 T CB -0.065 68.714 68.868 -0.148 0.000 1.205 149 T HN 0.048 nan 8.240 nan 0.000 0.496 150 A N 1.872 124.661 122.820 -0.053 0.000 2.024 150 A HA 0.110 4.431 4.320 0.001 0.000 0.220 150 A C 1.928 179.501 177.584 -0.019 0.000 1.164 150 A CA 1.679 53.715 52.037 -0.002 0.000 0.643 150 A CB -1.299 17.761 19.000 0.101 0.000 0.806 150 A HN 0.807 nan 8.150 nan 0.000 0.451 151 F N -0.814 119.182 119.950 0.076 0.000 2.365 151 F HA 0.217 4.745 4.527 0.002 0.000 0.300 151 F C 1.990 177.837 175.800 0.078 0.000 1.090 151 F CA 0.552 58.601 58.000 0.081 0.000 1.408 151 F CB -0.722 38.328 39.000 0.083 0.000 1.060 151 F HN 0.139 nan 8.300 nan 0.000 0.534 152 A N 1.008 123.307 122.820 -0.870 0.000 2.123 152 A HA 0.484 4.805 4.320 0.001 0.000 0.214 152 A C 1.672 179.146 177.584 -0.184 0.000 1.152 152 A CA 0.369 52.093 52.037 -0.522 0.000 0.728 152 A CB -1.182 17.435 19.000 -0.639 0.000 0.814 152 A HN 0.485 nan 8.150 nan 0.000 0.464 153 A N 0.251 123.002 122.820 -0.114 0.000 2.462 153 A HA 0.461 4.782 4.320 0.001 0.000 0.243 153 A C 0.854 178.463 177.584 0.041 0.000 1.076 153 A CA 0.448 52.485 52.037 -0.000 0.000 0.773 153 A CB -0.126 18.898 19.000 0.039 0.000 1.010 153 A HN 0.591 nan 8.150 nan 0.000 0.493 154 S N 0.045 115.778 115.700 0.054 0.000 2.569 154 S HA 0.219 4.690 4.470 0.001 0.000 0.274 154 S C 1.313 175.962 174.600 0.082 0.000 1.353 154 S CA 0.522 58.765 58.200 0.073 0.000 1.023 154 S CB 0.227 63.463 63.200 0.059 0.000 0.876 154 S HN 1.388 nan 8.310 nan 0.000 0.540 155 T N -0.170 114.438 114.554 0.090 0.000 3.084 155 T HA 0.249 4.600 4.350 0.001 0.000 0.270 155 T C 0.084 174.828 174.700 0.073 0.000 1.008 155 T CA -0.330 61.820 62.100 0.084 0.000 0.900 155 T CB 0.138 69.060 68.868 0.090 0.000 1.084 155 T HN 0.420 nan 8.240 nan 0.000 0.538 156 Q N 1.457 121.299 119.800 0.071 0.000 2.323 156 Q HA 0.272 4.612 4.340 0.001 0.000 0.257 156 Q C 0.837 176.867 176.000 0.050 0.000 1.022 156 Q CA -0.153 55.686 55.803 0.060 0.000 0.919 156 Q CB 1.009 29.784 28.738 0.062 0.000 1.220 156 Q HN 0.690 nan 8.270 nan 0.000 0.427 157 E N 0.592 120.820 120.200 0.047 0.000 2.418 157 E HA -0.123 4.228 4.350 0.001 0.000 0.197 157 E C 1.595 178.215 176.600 0.034 0.000 1.026 157 E CA 0.967 57.392 56.400 0.042 0.000 0.862 157 E CB 0.263 29.987 29.700 0.040 0.000 0.799 157 E HN 0.734 nan 8.360 nan 0.000 0.518 158 S N 0.200 115.918 115.700 0.031 0.000 2.561 158 S HA -0.027 4.444 4.470 0.001 0.000 0.225 158 S C 1.299 175.909 174.600 0.017 0.000 0.977 158 S CA 0.120 58.334 58.200 0.023 0.000 0.926 158 S CB 0.185 63.399 63.200 0.023 0.000 0.769 158 S HN 0.026 nan 8.310 nan 0.000 0.533 159 R N 1.308 121.819 120.500 0.018 0.000 2.748 159 R HA 0.331 4.672 4.340 0.001 0.000 0.283 159 R C -2.305 174.004 176.300 0.015 0.000 1.507 159 R CA -1.931 54.173 56.100 0.006 0.000 1.666 159 R CB 0.628 30.924 30.300 -0.006 0.000 1.237 159 R HN 0.157 nan 8.270 nan 0.000 0.633 160 P HA -0.216 nan 4.420 nan 0.000 0.216 160 P C 1.154 178.489 177.300 0.058 0.000 1.154 160 P CA 0.916 64.042 63.100 0.042 0.000 0.865 160 P CB 0.215 31.939 31.700 0.039 0.000 0.789 161 I N -0.800 119.797 120.570 0.045 0.000 2.248 161 I HA -0.209 3.962 4.170 0.001 0.000 0.248 161 I C 1.929 178.129 176.117 0.139 0.000 1.107 161 I CA 1.538 62.887 61.300 0.082 0.000 1.373 161 I CB -0.686 37.323 38.000 0.016 0.000 1.055 161 I HN -0.170 nan 8.210 nan 0.000 0.418 162 L N -0.148 121.106 121.223 0.053 0.000 2.610 162 L HA -0.011 4.330 4.340 0.001 0.000 0.232 162 L C 1.879 178.818 176.870 0.115 0.000 1.149 162 L CA 1.011 55.900 54.840 0.081 0.000 0.872 162 L CB -1.201 40.844 42.059 -0.025 0.000 0.992 162 L HN 0.401 nan 8.230 nan 0.000 0.447 163 T N -3.405 111.213 114.554 0.108 0.000 3.129 163 T HA 0.172 4.523 4.350 0.001 0.000 0.251 163 T C 0.861 175.633 174.700 0.120 0.000 1.117 163 T CA 0.191 62.352 62.100 0.102 0.000 1.034 163 T CB 0.078 68.998 68.868 0.086 0.000 0.968 163 T HN 0.248 nan 8.240 nan 0.000 0.526 164 G N 0.277 109.169 108.800 0.155 0.000 2.644 164 G HA2 0.599 4.559 3.960 0.001 0.000 0.307 164 G HA3 0.599 4.559 3.960 0.001 0.000 0.307 164 G C -1.349 173.635 174.900 0.140 0.000 1.250 164 G CA -0.745 44.447 45.100 0.153 0.000 0.996 164 G HN 0.242 nan 8.290 nan 0.000 0.489 165 V N 0.506 120.505 119.914 0.142 0.000 2.427 165 V HA 0.297 4.418 4.120 0.001 0.000 0.286 165 V C -0.117 176.033 176.094 0.093 0.000 1.034 165 V CA -0.735 61.615 62.300 0.084 0.000 0.893 165 V CB 1.309 33.223 31.823 0.152 0.000 0.982 165 V HN 0.797 nan 8.190 nan 0.000 0.452 166 H N 4.609 123.459 119.070 -0.366 0.000 2.604 166 H HA 0.419 4.975 4.556 0.001 0.000 0.306 166 H C -1.624 173.575 175.328 -0.215 0.000 1.075 166 H CA -0.531 55.257 56.048 -0.433 0.000 1.357 166 H CB 0.620 29.690 29.762 -1.154 0.000 1.426 166 H HN 0.510 nan 8.280 nan 0.000 0.470 167 F N 4.782 124.600 119.950 -0.219 0.000 2.427 167 F HA 0.284 4.812 4.527 0.001 0.000 0.348 167 F C -0.674 174.999 175.800 -0.212 0.000 1.125 167 F CA -0.605 57.324 58.000 -0.118 0.000 0.989 167 F CB 1.633 40.732 39.000 0.165 0.000 1.165 167 F HN 0.234 nan 8.300 nan 0.000 0.442 168 V N 5.303 125.070 119.914 -0.245 0.000 2.525 168 V HA 0.405 4.526 4.120 0.001 0.000 0.299 168 V C -0.971 174.823 176.094 -0.500 0.000 1.034 168 V CA -0.792 61.271 62.300 -0.395 0.000 0.863 168 V CB 1.958 33.534 31.823 -0.411 0.000 0.999 168 V HN 0.494 nan 8.190 nan 0.000 0.423 169 L N 5.328 126.014 121.223 -0.894 0.000 2.280 169 L HA 0.791 5.132 4.340 0.001 0.000 0.287 169 L C 0.319 176.871 176.870 -0.530 0.000 1.023 169 L CA 0.526 54.894 54.840 -0.787 0.000 0.819 169 L CB 1.579 42.889 42.059 -1.248 0.000 1.212 169 L HN 0.878 nan 8.230 nan 0.000 0.420 170 S N 2.600 118.102 115.700 -0.331 0.000 2.600 170 S HA 0.600 5.071 4.470 0.001 0.000 0.300 170 S C -0.282 174.215 174.600 -0.172 0.000 1.087 170 S CA -0.552 57.502 58.200 -0.244 0.000 0.965 170 S CB 1.663 64.760 63.200 -0.172 0.000 1.089 170 S HN 0.648 nan 8.310 nan 0.000 0.496 171 Q N 1.086 120.808 119.800 -0.129 0.000 2.475 171 Q HA -0.245 4.096 4.340 0.001 0.000 0.280 171 Q C 0.095 176.154 176.000 0.098 0.000 1.234 171 Q CA 1.006 56.816 55.803 0.013 0.000 0.873 171 Q CB -2.465 26.276 28.738 0.005 0.000 1.256 171 Q HN 0.912 nan 8.270 nan 0.000 0.475 172 H N -3.936 115.080 119.070 -0.090 0.000 4.531 172 H HA -0.290 4.267 4.556 0.001 0.000 0.149 172 H C 1.221 176.510 175.328 -0.065 0.000 0.789 172 H CA 2.249 58.254 56.048 -0.073 0.000 1.231 172 H CB -1.097 28.638 29.762 -0.046 0.000 0.916 172 H HN 0.621 nan 8.280 nan 0.000 0.424 173 K N -0.325 120.089 120.400 0.023 0.000 2.554 173 K HA 0.206 4.527 4.320 0.001 0.000 0.211 173 K C 0.044 176.623 176.600 -0.036 0.000 1.226 173 K CA 0.035 56.322 56.287 0.000 0.000 1.025 173 K CB 1.013 33.524 32.500 0.019 0.000 1.021 173 K HN 0.102 nan 8.250 nan 0.000 0.600 174 E N 1.468 121.625 120.200 -0.072 0.000 2.044 174 E HA 0.353 4.704 4.350 0.001 0.000 0.282 174 E C -1.125 175.398 176.600 -0.130 0.000 1.031 174 E CA -0.607 55.743 56.400 -0.083 0.000 0.824 174 E CB 1.326 30.979 29.700 -0.078 0.000 1.076 174 E HN 0.260 nan 8.360 nan 0.000 0.395 175 L N 3.472 124.635 121.223 -0.099 0.000 2.272 175 L HA 0.308 4.649 4.340 0.001 0.000 0.289 175 L C -0.279 176.514 176.870 -0.129 0.000 1.032 175 L CA -0.194 54.580 54.840 -0.110 0.000 0.810 175 L CB 0.789 42.839 42.059 -0.016 0.000 1.205 175 L HN 0.222 nan 8.230 nan 0.000 0.422 176 K N 2.804 123.090 120.400 -0.190 0.000 2.244 176 K HA 0.689 5.010 4.320 0.001 0.000 0.260 176 K C -1.105 175.291 176.600 -0.340 0.000 0.951 176 K CA -0.447 55.710 56.287 -0.217 0.000 0.826 176 K CB 1.269 33.649 32.500 -0.200 0.000 1.108 176 K HN 0.713 nan 8.250 nan 0.000 0.433 177 T N 0.120 114.452 114.554 -0.370 0.000 2.840 177 T HA 0.581 4.932 4.350 0.001 0.000 0.287 177 T C -0.740 173.759 174.700 -0.335 0.000 0.991 177 T CA -0.745 61.019 62.100 -0.560 0.000 0.964 177 T CB 1.233 69.612 68.868 -0.814 0.000 0.954 177 T HN 0.175 nan 8.240 nan 0.000 0.438 178 V N 1.537 121.271 119.914 -0.300 0.000 2.876 178 V HA 0.968 5.089 4.120 0.001 0.000 0.312 178 V C -0.257 175.768 176.094 -0.115 0.000 1.085 178 V CA -1.012 61.206 62.300 -0.137 0.000 0.945 178 V CB 1.806 33.620 31.823 -0.014 0.000 1.017 178 V HN 1.394 nan 8.190 nan 0.000 0.428 179 A N 1.870 124.661 122.820 -0.049 0.000 2.488 179 A HA 0.915 5.236 4.320 0.001 0.000 0.298 179 A C -0.686 176.897 177.584 -0.002 0.000 1.044 179 A CA -0.448 51.590 52.037 0.002 0.000 0.693 179 A CB 2.270 21.211 19.000 -0.099 0.000 1.272 179 A HN 0.911 nan 8.150 nan 0.000 0.402 180 T N 0.021 114.615 114.554 0.067 0.000 2.889 180 T HA 0.527 4.877 4.350 0.001 0.000 0.315 180 T C -1.300 173.380 174.700 -0.033 0.000 1.291 180 T CA 0.128 62.212 62.100 -0.027 0.000 1.028 180 T CB 1.497 70.342 68.868 -0.038 0.000 1.235 180 T HN 0.808 nan 8.240 nan 0.000 0.491 181 D N 1.205 121.564 120.400 -0.068 0.000 2.501 181 D HA 0.186 4.827 4.640 0.001 0.000 0.226 181 D C 1.080 177.316 176.300 -0.107 0.000 1.198 181 D CA 0.648 54.628 54.000 -0.032 0.000 0.830 181 D CB -0.162 40.664 40.800 0.044 0.000 1.014 181 D HN 0.900 nan 8.370 nan 0.000 0.496 182 S N -0.859 114.729 115.700 -0.187 0.000 2.524 182 S HA -0.332 4.139 4.470 0.001 0.000 0.254 182 S C 0.752 175.085 174.600 -0.444 0.000 1.258 182 S CA 1.242 59.256 58.200 -0.310 0.000 1.448 182 S CB -2.141 60.846 63.200 -0.355 0.000 1.806 182 S HN 0.567 nan 8.310 nan 0.000 0.630 183 H N 1.463 120.454 119.070 -0.131 0.000 2.545 183 H HA 0.375 4.932 4.556 0.001 0.000 0.283 183 H C 1.119 176.254 175.328 -0.322 0.000 0.997 183 H CA 1.101 57.047 56.048 -0.170 0.000 1.269 183 H CB 0.416 30.102 29.762 -0.127 0.000 1.451 183 H HN 0.881 nan 8.280 nan 0.000 0.508 184 R N 0.178 120.496 120.500 -0.303 0.000 2.799 184 R HA 0.639 4.980 4.340 0.001 0.000 0.270 184 R C -1.658 174.508 176.300 -0.224 0.000 1.010 184 R CA -0.845 55.053 56.100 -0.336 0.000 0.916 184 R CB 1.849 31.831 30.300 -0.531 0.000 1.228 184 R HN 0.054 nan 8.270 nan 0.000 0.469 185 L N -0.301 120.812 121.223 -0.183 0.000 2.466 185 L HA 0.765 5.105 4.340 0.001 0.000 0.258 185 L C -1.327 175.474 176.870 -0.115 0.000 0.973 185 L CA -0.410 54.349 54.840 -0.133 0.000 0.826 185 L CB 2.644 44.647 42.059 -0.093 0.000 1.372 185 L HN 0.815 nan 8.230 nan 0.000 0.409 186 S N 2.659 118.294 115.700 -0.109 0.000 2.557 186 S HA 0.546 5.016 4.470 0.001 0.000 0.291 186 S C -1.464 173.141 174.600 0.007 0.000 1.116 186 S CA -0.426 57.755 58.200 -0.032 0.000 0.992 186 S CB 1.574 64.723 63.200 -0.084 0.000 1.028 186 S HN 0.722 nan 8.310 nan 0.000 0.484 187 Q N 2.904 122.757 119.800 0.089 0.000 2.285 187 Q HA 0.562 4.903 4.340 0.001 0.000 0.269 187 Q C -1.730 174.367 176.000 0.162 0.000 1.030 187 Q CA -0.803 55.033 55.803 0.055 0.000 0.788 187 Q CB 1.333 30.082 28.738 0.018 0.000 1.266 187 Q HN 0.442 nan 8.270 nan 0.000 0.438 188 K N 2.843 123.265 120.400 0.037 0.000 2.397 188 K HA 0.492 4.813 4.320 0.001 0.000 0.253 188 K C -1.771 174.795 176.600 -0.057 0.000 0.932 188 K CA -0.365 55.933 56.287 0.018 0.000 0.795 188 K CB 1.554 33.973 32.500 -0.134 0.000 1.159 188 K HN 0.447 nan 8.250 nan 0.000 0.424 189 K N 4.136 124.523 120.400 -0.022 0.000 2.397 189 K HA 0.547 4.868 4.320 0.001 0.000 0.253 189 K C -0.901 175.682 176.600 -0.029 0.000 0.932 189 K CA -0.736 55.526 56.287 -0.042 0.000 0.795 189 K CB 1.605 34.089 32.500 -0.026 0.000 1.159 189 K HN 0.428 nan 8.250 nan 0.000 0.424 190 L N 0.820 122.021 121.223 -0.036 0.000 2.309 190 L HA 0.532 4.873 4.340 0.001 0.000 0.261 190 L C -0.403 176.456 176.870 -0.018 0.000 1.021 190 L CA -0.969 53.859 54.840 -0.019 0.000 0.823 190 L CB 2.532 44.584 42.059 -0.011 0.000 1.366 190 L HN 0.535 nan 8.230 nan 0.000 0.423 191 T N 2.259 116.808 114.554 -0.008 0.000 2.758 191 T HA 0.488 4.838 4.350 0.001 0.000 0.285 191 T C -0.115 174.588 174.700 0.004 0.000 0.981 191 T CA -0.496 61.600 62.100 -0.006 0.000 0.965 191 T CB 0.734 69.599 68.868 -0.004 0.000 0.927 191 T HN 0.234 nan 8.240 nan 0.000 0.448 192 L N 2.973 124.202 121.223 0.009 0.000 2.453 192 L HA 0.274 4.615 4.340 0.001 0.000 0.272 192 L C 2.079 178.959 176.870 0.017 0.000 1.182 192 L CA -0.247 54.605 54.840 0.021 0.000 0.858 192 L CB 0.113 42.192 42.059 0.033 0.000 1.120 192 L HN 0.936 nan 8.230 nan 0.000 0.474 193 E N 2.762 122.972 120.200 0.017 0.000 2.153 193 E HA -0.060 4.290 4.350 0.001 0.000 0.194 193 E C 1.008 177.615 176.600 0.013 0.000 0.988 193 E CA 1.883 58.290 56.400 0.013 0.000 0.811 193 E CB -0.307 29.400 29.700 0.012 0.000 0.746 193 E HN 0.657 nan 8.360 nan 0.000 0.466 194 K N 0.737 121.148 120.400 0.018 0.000 2.328 194 K HA 0.602 4.923 4.320 0.001 0.000 0.246 194 K C -0.456 176.162 176.600 0.030 0.000 0.955 194 K CA -0.571 55.727 56.287 0.018 0.000 0.817 194 K CB 0.937 33.447 32.500 0.015 0.000 1.208 194 K HN 0.220 nan 8.250 nan 0.000 0.432 195 N N 0.535 119.254 118.700 0.032 0.000 2.530 195 N HA 0.454 5.195 4.740 0.001 0.000 0.277 195 N C -0.564 174.993 175.510 0.079 0.000 1.168 195 N CA -0.112 52.974 53.050 0.060 0.000 0.979 195 N CB 1.623 40.137 38.487 0.045 0.000 1.141 195 N HN 0.658 nan 8.380 nan 0.000 0.459 196 S N -0.799 114.967 115.700 0.110 0.000 2.618 196 S HA 0.541 5.012 4.470 0.001 0.000 0.277 196 S C -1.122 173.534 174.600 0.094 0.000 1.138 196 S CA -0.641 57.621 58.200 0.103 0.000 0.844 196 S CB 0.586 63.851 63.200 0.108 0.000 1.127 196 S HN 0.578 nan 8.310 nan 0.000 0.474 197 D N 1.616 122.060 120.400 0.073 0.000 2.414 197 D HA 0.344 4.985 4.640 0.001 0.000 0.242 197 D C -0.244 175.998 176.300 -0.097 0.000 1.129 197 D CA -0.110 53.883 54.000 -0.013 0.000 0.885 197 D CB 0.077 40.893 40.800 0.027 0.000 1.198 197 D HN 0.581 nan 8.370 nan 0.000 0.437 198 D N -0.263 119.971 120.400 -0.277 0.000 2.399 198 D HA 0.515 5.156 4.640 0.001 0.000 0.241 198 D C 0.004 176.140 176.300 -0.272 0.000 1.133 198 D CA 0.522 54.296 54.000 -0.375 0.000 0.890 198 D CB 0.555 41.120 40.800 -0.391 0.000 1.201 198 D HN 0.509 nan 8.370 nan 0.000 0.432 199 F N -1.315 118.428 119.950 -0.346 0.000 2.685 199 F HA 0.560 5.088 4.527 0.001 0.000 0.315 199 F C -1.104 174.524 175.800 -0.287 0.000 1.126 199 F CA -1.162 56.574 58.000 -0.440 0.000 0.950 199 F CB 1.691 40.115 39.000 -0.959 0.000 1.360 199 F HN -0.021 nan 8.300 nan 0.000 0.469 200 D N 1.709 122.140 120.400 0.052 0.000 2.365 200 D HA 0.476 5.117 4.640 0.001 0.000 0.235 200 D C -1.591 174.821 176.300 0.187 0.000 1.368 200 D CA -0.035 54.018 54.000 0.089 0.000 1.001 200 D CB 1.883 42.716 40.800 0.055 0.000 1.364 200 D HN 0.829 nan 8.370 nan 0.000 0.577 201 V N 0.167 120.247 119.914 0.276 0.000 3.102 201 V HA 0.832 4.953 4.120 0.001 0.000 0.312 201 V C -0.884 175.396 176.094 0.311 0.000 1.135 201 V CA -0.751 61.700 62.300 0.252 0.000 1.022 201 V CB 2.178 34.131 31.823 0.217 0.000 1.056 201 V HN 0.142 nan 8.190 nan 0.000 0.436 202 V N 3.088 123.137 119.914 0.226 0.000 2.483 202 V HA 0.561 4.681 4.120 0.001 0.000 0.297 202 V C -0.416 175.781 176.094 0.171 0.000 1.027 202 V CA -0.242 62.178 62.300 0.201 0.000 0.855 202 V CB 1.380 33.295 31.823 0.153 0.000 0.995 202 V HN 0.788 nan 8.190 nan 0.000 0.424 203 I N 6.508 127.195 120.570 0.196 0.000 2.362 203 I HA 0.411 4.582 4.170 0.001 0.000 0.289 203 I C -2.435 173.775 176.117 0.156 0.000 0.994 203 I CA -2.259 59.132 61.300 0.151 0.000 1.158 203 I CB 2.242 40.306 38.000 0.106 0.000 1.315 203 I HN 0.375 nan 8.210 nan 0.000 0.451 204 P HA -0.045 nan 4.420 nan 0.000 0.263 204 P C 0.738 178.121 177.300 0.139 0.000 1.175 204 P CA 0.199 63.375 63.100 0.126 0.000 0.761 204 P CB 0.606 32.371 31.700 0.108 0.000 0.794 205 S N 3.765 119.543 115.700 0.130 0.000 2.402 205 S HA -0.204 4.266 4.470 0.001 0.000 0.229 205 S C 1.858 176.539 174.600 0.135 0.000 1.021 205 S CA 0.750 59.028 58.200 0.130 0.000 0.974 205 S CB -0.642 62.624 63.200 0.110 0.000 0.800 205 S HN 0.405 nan 8.310 nan 0.000 0.484 206 R N 1.277 121.854 120.500 0.128 0.000 2.096 206 R HA -0.040 4.300 4.340 0.001 0.000 0.235 206 R C 2.226 178.626 176.300 0.167 0.000 1.127 206 R CA 1.609 57.788 56.100 0.131 0.000 0.968 206 R CB -0.537 29.831 30.300 0.113 0.000 0.861 206 R HN 0.471 nan 8.270 nan 0.000 0.440 207 S N 0.892 116.701 115.700 0.181 0.000 2.368 207 S HA -0.107 4.364 4.470 0.001 0.000 0.225 207 S C 1.848 176.639 174.600 0.319 0.000 1.030 207 S CA 1.223 59.580 58.200 0.261 0.000 0.999 207 S CB -0.174 63.145 63.200 0.198 0.000 0.844 207 S HN 0.282 nan 8.310 nan 0.000 0.459 208 L N 1.038 122.390 121.223 0.214 0.000 2.083 208 L HA -0.091 4.250 4.340 0.001 0.000 0.209 208 L C 2.683 179.664 176.870 0.186 0.000 1.083 208 L CA 0.916 55.857 54.840 0.168 0.000 0.752 208 L CB -0.434 41.703 42.059 0.130 0.000 0.899 208 L HN 0.147 nan 8.230 nan 0.000 0.433 209 R N 0.096 120.693 120.500 0.163 0.000 2.096 209 R HA -0.119 4.222 4.340 0.001 0.000 0.235 209 R C 2.070 178.432 176.300 0.103 0.000 1.127 209 R CA 1.002 57.179 56.100 0.129 0.000 0.968 209 R CB -0.628 29.740 30.300 0.115 0.000 0.861 209 R HN 0.389 nan 8.270 nan 0.000 0.440 210 E N 0.092 120.374 120.200 0.137 0.000 2.106 210 E HA -0.124 4.227 4.350 0.001 0.000 0.192 210 E C 1.738 178.246 176.600 -0.154 0.000 0.984 210 E CA 0.484 56.925 56.400 0.069 0.000 0.806 210 E CB -0.427 29.413 29.700 0.233 0.000 0.750 210 E HN 0.256 nan 8.360 nan 0.000 0.458 211 F N 2.214 121.995 119.950 -0.283 0.000 2.091 211 F HA -0.256 4.272 4.527 0.001 0.000 0.299 211 F C 2.265 177.929 175.800 -0.226 0.000 1.103 211 F CA 1.772 59.454 58.000 -0.530 0.000 1.228 211 F CB -0.228 38.486 39.000 -0.477 0.000 0.984 211 F HN -0.117 nan 8.300 nan 0.000 0.477 212 S N 0.354 116.042 115.700 -0.019 0.000 2.402 212 S HA -0.091 4.379 4.470 0.001 0.000 0.229 212 S C 2.219 176.724 174.600 -0.158 0.000 1.021 212 S CA 0.910 59.077 58.200 -0.054 0.000 0.974 212 S CB -0.716 62.533 63.200 0.082 0.000 0.800 212 S HN 0.560 nan 8.310 nan 0.000 0.484 213 A N 0.696 123.421 122.820 -0.158 0.000 2.016 213 A HA 0.107 4.428 4.320 0.001 0.000 0.217 213 A C 2.212 179.635 177.584 -0.268 0.000 1.162 213 A CA 0.792 52.732 52.037 -0.162 0.000 0.662 213 A CB -0.433 18.507 19.000 -0.101 0.000 0.812 213 A HN 0.344 nan 8.150 nan 0.000 0.450 214 V N -1.396 118.257 119.914 -0.436 0.000 2.407 214 V HA -0.003 4.118 4.120 0.001 0.000 0.245 214 V C 0.400 176.032 176.094 -0.770 0.000 1.041 214 V CA 0.832 62.753 62.300 -0.633 0.000 1.040 214 V CB -0.570 30.710 31.823 -0.905 0.000 0.671 214 V HN 0.478 nan 8.190 nan 0.000 0.455 215 F N 1.679 121.274 119.950 -0.592 0.000 2.334 215 F HA 0.353 4.881 4.527 0.001 0.000 0.365 215 F C 1.073 176.674 175.800 -0.332 0.000 1.124 215 F CA -0.734 56.969 58.000 -0.495 0.000 1.166 215 F CB 0.237 38.790 39.000 -0.745 0.000 1.355 215 F HN 0.018 nan 8.300 nan 0.000 0.532 216 T N -2.025 112.457 114.554 -0.120 0.000 2.766 216 T HA 0.065 4.416 4.350 0.001 0.000 0.295 216 T C 0.943 175.625 174.700 -0.030 0.000 1.024 216 T CA -0.775 61.277 62.100 -0.079 0.000 1.018 216 T CB 0.968 69.787 68.868 -0.082 0.000 1.002 216 T HN 0.402 nan 8.240 nan 0.000 0.532 217 D N 0.140 120.526 120.400 -0.023 0.000 2.310 217 D HA -0.053 4.588 4.640 0.001 0.000 0.212 217 D C 2.055 178.357 176.300 0.003 0.000 0.965 217 D CA 1.216 55.213 54.000 -0.005 0.000 0.879 217 D CB -0.614 40.184 40.800 -0.005 0.000 0.921 217 D HN 0.858 nan 8.370 nan 0.000 0.510 218 D N 0.105 120.503 120.400 -0.002 0.000 2.228 218 D HA -0.155 4.486 4.640 0.001 0.000 0.203 218 D C 1.239 177.551 176.300 0.020 0.000 0.988 218 D CA 0.375 54.377 54.000 0.004 0.000 0.864 218 D CB -0.639 40.158 40.800 -0.004 0.000 0.928 218 D HN 0.275 nan 8.370 nan 0.000 0.469 219 I N 1.060 121.650 120.570 0.033 0.000 2.291 219 I HA 0.479 4.650 4.170 0.001 0.000 0.292 219 I C 1.971 178.116 176.117 0.047 0.000 1.064 219 I CA 0.157 61.492 61.300 0.060 0.000 1.269 219 I CB 1.180 39.254 38.000 0.124 0.000 1.418 219 I HN 0.195 nan 8.210 nan 0.000 0.485 220 E N 4.456 124.678 120.200 0.038 0.000 2.158 220 E HA -0.013 4.338 4.350 0.001 0.000 0.191 220 E C 0.983 177.600 176.600 0.029 0.000 0.982 220 E CA 1.372 57.790 56.400 0.030 0.000 0.823 220 E CB -0.047 29.668 29.700 0.025 0.000 0.766 220 E HN 0.706 nan 8.360 nan 0.000 0.468 221 T N -4.546 110.025 114.554 0.030 0.000 2.865 221 T HA 0.660 5.011 4.350 0.001 0.000 0.294 221 T C -0.790 173.917 174.700 0.013 0.000 1.119 221 T CA -0.149 61.964 62.100 0.021 0.000 1.007 221 T CB 1.550 70.428 68.868 0.017 0.000 1.225 221 T HN 0.565 nan 8.240 nan 0.000 0.515 222 V N -0.034 119.876 119.914 -0.006 0.000 3.049 222 V HA 0.581 4.702 4.120 0.001 0.000 0.309 222 V C -1.500 174.579 176.094 -0.024 0.000 1.148 222 V CA -0.827 61.458 62.300 -0.025 0.000 0.990 222 V CB 2.233 33.980 31.823 -0.127 0.000 1.039 222 V HN 1.072 nan 8.190 nan 0.000 0.430 223 E N 5.172 125.368 120.200 -0.006 0.000 2.175 223 E HA 0.546 4.897 4.350 0.001 0.000 0.278 223 E C -1.124 175.368 176.600 -0.180 0.000 0.969 223 E CA -0.468 55.879 56.400 -0.088 0.000 0.796 223 E CB 2.241 31.971 29.700 0.049 0.000 1.104 223 E HN 0.521 nan 8.360 nan 0.000 0.395 224 I N 3.108 123.390 120.570 -0.480 0.000 2.404 224 I HA 0.384 4.555 4.170 0.001 0.000 0.293 224 I C -0.776 174.773 176.117 -0.947 0.000 0.992 224 I CA -0.741 60.121 61.300 -0.729 0.000 1.149 224 I CB 0.696 38.169 38.000 -0.878 0.000 1.315 224 I HN 0.346 nan 8.210 nan 0.000 0.446 225 F N 5.012 124.508 119.950 -0.757 0.000 2.532 225 F HA 0.557 5.085 4.527 0.001 0.000 0.321 225 F C -0.463 174.908 175.800 -0.714 0.000 1.089 225 F CA -0.666 57.014 58.000 -0.534 0.000 0.926 225 F CB 1.589 40.416 39.000 -0.288 0.000 1.168 225 F HN 0.144 nan 8.300 nan 0.000 0.459 226 F N 1.737 121.631 119.950 -0.093 0.000 2.458 226 F HA 0.770 5.298 4.527 0.001 0.000 0.336 226 F C 0.303 176.080 175.800 -0.038 0.000 1.114 226 F CA -0.651 57.268 58.000 -0.135 0.000 0.987 226 F CB 1.499 40.386 39.000 -0.188 0.000 1.130 226 F HN 0.583 nan 8.300 nan 0.000 0.458 227 A N 1.541 124.440 122.820 0.130 0.000 2.437 227 A HA 0.653 4.974 4.320 0.001 0.000 0.288 227 A C 0.625 178.268 177.584 0.098 0.000 1.201 227 A CA -0.028 52.070 52.037 0.101 0.000 0.795 227 A CB 0.091 19.129 19.000 0.063 0.000 1.359 227 A HN 0.794 nan 8.150 nan 0.000 0.435 228 N N -0.728 118.014 118.700 0.070 0.000 2.216 228 N HA -0.177 4.564 4.740 0.001 0.000 0.183 228 N C 1.368 176.911 175.510 0.056 0.000 1.017 228 N CA 2.107 55.194 53.050 0.061 0.000 0.861 228 N CB -0.935 37.578 38.487 0.044 0.000 0.986 228 N HN 0.928 nan 8.380 nan 0.000 0.428 229 N N -0.831 117.896 118.700 0.045 0.000 2.395 229 N HA 0.045 4.786 4.740 0.001 0.000 0.175 229 N C 0.694 176.226 175.510 0.036 0.000 1.029 229 N CA 0.869 53.940 53.050 0.035 0.000 0.897 229 N CB -0.055 38.444 38.487 0.021 0.000 0.991 229 N HN 1.006 nan 8.380 nan 0.000 0.441 230 Q N -1.228 118.595 119.800 0.038 0.000 2.737 230 Q HA 0.587 4.928 4.340 0.001 0.000 0.307 230 Q C -1.736 174.258 176.000 -0.010 0.000 0.905 230 Q CA -1.070 54.749 55.803 0.027 0.000 0.753 230 Q CB 1.517 30.279 28.738 0.040 0.000 1.463 230 Q HN 0.265 nan 8.270 nan 0.000 0.455 231 I N 0.711 121.238 120.570 -0.072 0.000 2.787 231 I HA 0.535 4.706 4.170 0.001 0.000 0.294 231 I C -2.321 173.597 176.117 -0.332 0.000 1.365 231 I CA -1.176 59.949 61.300 -0.292 0.000 1.029 231 I CB 2.401 40.142 38.000 -0.431 0.000 1.313 231 I HN 0.758 nan 8.210 nan 0.000 0.431 232 L N 6.993 127.918 121.223 -0.496 0.000 2.356 232 L HA 0.647 4.987 4.340 0.001 0.000 0.277 232 L C -1.871 174.697 176.870 -0.504 0.000 0.996 232 L CA -0.024 54.541 54.840 -0.458 0.000 0.822 232 L CB 1.592 43.358 42.059 -0.488 0.000 1.256 232 L HN 0.381 nan 8.230 nan 0.000 0.413 233 F N 4.478 124.399 119.950 -0.048 0.000 2.411 233 F HA 0.649 5.177 4.527 0.001 0.000 0.352 233 F C 0.325 176.190 175.800 0.107 0.000 1.123 233 F CA -0.430 57.578 58.000 0.015 0.000 1.044 233 F CB 1.353 40.428 39.000 0.126 0.000 1.135 233 F HN 0.387 nan 8.300 nan 0.000 0.461 234 R N 1.727 122.352 120.500 0.208 0.000 2.513 234 R HA 0.583 4.924 4.340 0.001 0.000 0.301 234 R C -0.437 175.990 176.300 0.211 0.000 0.968 234 R CA -0.393 55.839 56.100 0.220 0.000 0.872 234 R CB 1.632 32.005 30.300 0.120 0.000 1.177 234 R HN 0.869 nan 8.270 nan 0.000 0.444 235 S N 1.206 117.090 115.700 0.307 0.000 2.677 235 S HA 0.168 4.639 4.470 0.001 0.000 0.290 235 S C 1.086 175.782 174.600 0.161 0.000 1.124 235 S CA -0.693 57.646 58.200 0.232 0.000 1.017 235 S CB 1.210 64.606 63.200 0.328 0.000 1.215 235 S HN 0.777 nan 8.310 nan 0.000 0.524 236 E N 0.725 121.002 120.200 0.129 0.000 2.070 236 E HA -0.225 4.126 4.350 0.001 0.000 0.197 236 E C 0.942 177.619 176.600 0.128 0.000 1.004 236 E CA 1.772 58.236 56.400 0.107 0.000 0.805 236 E CB -0.129 29.628 29.700 0.095 0.000 0.744 236 E HN 0.622 nan 8.360 nan 0.000 0.451 237 N N -0.798 117.989 118.700 0.146 0.000 2.227 237 N HA 0.185 4.925 4.740 0.001 0.000 0.196 237 N C -0.349 175.252 175.510 0.152 0.000 1.142 237 N CA 0.188 53.353 53.050 0.191 0.000 0.887 237 N CB 1.178 39.758 38.487 0.156 0.000 1.022 237 N HN 0.110 nan 8.380 nan 0.000 0.500 238 I N 0.732 121.375 120.570 0.122 0.000 2.433 238 I HA 0.265 4.436 4.170 0.001 0.000 0.292 238 I C -0.433 175.794 176.117 0.183 0.000 1.001 238 I CA -0.433 60.918 61.300 0.085 0.000 1.119 238 I CB 1.999 39.920 38.000 -0.132 0.000 1.289 238 I HN -0.273 nan 8.210 nan 0.000 0.438 239 S N 5.844 121.640 115.700 0.161 0.000 2.478 239 S HA 0.544 5.015 4.470 0.001 0.000 0.312 239 S C -0.905 173.834 174.600 0.232 0.000 1.094 239 S CA -0.452 57.822 58.200 0.123 0.000 1.081 239 S CB 1.252 64.475 63.200 0.038 0.000 1.007 239 S HN 0.432 nan 8.310 nan 0.000 0.475 240 F N 4.275 124.274 119.950 0.082 0.000 2.500 240 F HA 0.566 5.094 4.527 0.002 0.000 0.349 240 F C -1.700 174.191 175.800 0.153 0.000 1.127 240 F CA -0.903 57.230 58.000 0.221 0.000 0.998 240 F CB 0.471 39.740 39.000 0.448 0.000 1.237 240 F HN 0.501 nan 8.300 nan 0.000 0.439 241 Y N 3.050 123.247 120.300 -0.170 0.000 2.387 241 Y HA 0.639 5.190 4.550 0.001 0.000 0.330 241 Y C 0.564 176.233 175.900 -0.385 0.000 1.133 241 Y CA -0.789 57.195 58.100 -0.193 0.000 1.152 241 Y CB 1.957 40.353 38.460 -0.106 0.000 1.215 241 Y HN 0.571 nan 8.280 nan 0.000 0.466 242 T N 1.871 116.381 114.554 -0.073 0.000 2.900 242 T HA 0.526 4.877 4.350 0.001 0.000 0.303 242 T C -0.728 173.973 174.700 0.002 0.000 1.142 242 T CA -0.958 61.094 62.100 -0.081 0.000 1.007 242 T CB 0.898 69.730 68.868 -0.060 0.000 1.156 242 T HN 0.678 nan 8.240 nan 0.000 0.490 243 R N 1.852 122.358 120.500 0.009 0.000 2.641 243 R HA 0.551 4.892 4.340 0.001 0.000 0.269 243 R C -0.232 176.094 176.300 0.043 0.000 1.074 243 R CA -0.399 55.716 56.100 0.025 0.000 1.133 243 R CB 0.435 30.749 30.300 0.025 0.000 1.029 243 R HN 0.485 nan 8.270 nan 0.000 0.488 244 L N 2.589 123.841 121.223 0.049 0.000 2.344 244 L HA 0.395 4.736 4.340 0.001 0.000 0.272 244 L C -0.297 176.615 176.870 0.070 0.000 1.035 244 L CA -0.915 53.966 54.840 0.068 0.000 0.807 244 L CB 1.116 43.220 42.059 0.075 0.000 1.237 244 L HN 0.365 nan 8.230 nan 0.000 0.442 245 L N 2.735 124.009 121.223 0.086 0.000 2.283 245 L HA 0.195 4.536 4.340 0.001 0.000 0.287 245 L C 0.200 177.117 176.870 0.078 0.000 1.073 245 L CA -0.612 54.277 54.840 0.082 0.000 0.822 245 L CB 0.454 42.574 42.059 0.101 0.000 1.186 245 L HN 0.501 nan 8.230 nan 0.000 0.436 246 E N 2.775 123.010 120.200 0.059 0.000 2.408 246 E HA 0.509 4.860 4.350 0.001 0.000 0.259 246 E C 0.576 177.204 176.600 0.048 0.000 1.110 246 E CA 0.200 56.631 56.400 0.051 0.000 0.929 246 E CB 0.874 30.596 29.700 0.037 0.000 0.971 246 E HN 0.757 nan 8.360 nan 0.000 0.438 247 G N 1.639 110.464 108.800 0.040 0.000 2.570 247 G HA2 -0.162 3.799 3.960 0.001 0.000 0.686 247 G HA3 -0.162 3.799 3.960 0.001 0.000 0.686 247 G C -0.893 174.025 174.900 0.030 0.000 1.257 247 G CA -0.955 44.162 45.100 0.028 0.000 0.846 247 G HN 0.418 nan 8.290 nan 0.000 0.627 248 N N 0.049 118.753 118.700 0.007 0.000 2.422 248 N HA 0.370 5.111 4.740 0.001 0.000 0.264 248 N C -0.410 175.079 175.510 -0.035 0.000 1.063 248 N CA -0.107 52.940 53.050 -0.004 0.000 0.959 248 N CB 1.316 39.795 38.487 -0.013 0.000 1.087 248 N HN 0.501 nan 8.380 nan 0.000 0.483 249 Y N 3.296 123.470 120.300 -0.210 0.000 2.346 249 Y HA 0.228 4.779 4.550 0.001 0.000 0.330 249 Y C -1.726 174.049 175.900 -0.208 0.000 1.178 249 Y CA -1.391 56.530 58.100 -0.298 0.000 1.331 249 Y CB 0.430 38.449 38.460 -0.734 0.000 1.253 249 Y HN 0.471 nan 8.280 nan 0.000 0.529 250 P HA 0.024 nan 4.420 nan 0.000 0.271 250 P C -1.074 176.182 177.300 -0.074 0.000 1.218 250 P CA -0.309 62.633 63.100 -0.263 0.000 0.780 250 P CB 0.504 31.999 31.700 -0.342 0.000 0.901 251 D N 1.418 121.804 120.400 -0.024 0.000 2.349 251 D HA -0.018 4.623 4.640 0.001 0.000 0.266 251 D C 0.721 177.036 176.300 0.025 0.000 1.293 251 D CA 0.378 54.397 54.000 0.032 0.000 0.926 251 D CB 0.510 41.317 40.800 0.012 0.000 1.090 251 D HN 0.357 nan 8.370 nan 0.000 0.502 252 T N 0.328 114.929 114.554 0.078 0.000 3.057 252 T HA -0.032 4.319 4.350 0.001 0.000 0.254 252 T C 1.180 175.900 174.700 0.034 0.000 1.094 252 T CA -0.037 62.099 62.100 0.060 0.000 1.088 252 T CB 0.281 69.227 68.868 0.131 0.000 0.934 252 T HN 0.155 nan 8.240 nan 0.000 0.497 253 D N 2.743 123.163 120.400 0.034 0.000 2.123 253 D HA -0.124 4.517 4.640 0.001 0.000 0.196 253 D C 2.346 178.649 176.300 0.004 0.000 0.992 253 D CA 1.270 55.280 54.000 0.016 0.000 0.833 253 D CB -0.296 40.512 40.800 0.013 0.000 0.954 253 D HN 0.676 nan 8.370 nan 0.000 0.455 254 R N 0.724 121.224 120.500 -0.000 0.000 2.200 254 R HA -0.057 4.283 4.340 0.001 0.000 0.234 254 R C 2.067 178.360 176.300 -0.011 0.000 1.127 254 R CA 0.896 56.991 56.100 -0.009 0.000 0.989 254 R CB -0.681 29.612 30.300 -0.012 0.000 0.869 254 R HN 0.215 nan 8.270 nan 0.000 0.459 255 L N 1.272 122.489 121.223 -0.010 0.000 2.376 255 L HA 0.089 4.430 4.340 0.001 0.000 0.219 255 L C 0.428 177.295 176.870 -0.005 0.000 1.133 255 L CA 0.083 54.914 54.840 -0.014 0.000 0.816 255 L CB -0.039 42.006 42.059 -0.023 0.000 0.933 255 L HN 0.033 nan 8.230 nan 0.000 0.449 256 I N 0.473 121.043 120.570 0.001 0.000 2.312 256 I HA 0.272 4.443 4.170 0.001 0.000 0.291 256 I C -1.838 174.288 176.117 0.015 0.000 1.031 256 I CA -1.970 59.341 61.300 0.019 0.000 1.293 256 I CB 0.062 38.074 38.000 0.020 0.000 1.403 256 I HN -0.001 nan 8.210 nan 0.000 0.484 257 P HA 0.603 nan 4.420 nan 0.000 0.276 257 P C 0.708 177.922 177.300 -0.143 0.000 1.244 257 P CA -0.104 62.950 63.100 -0.077 0.000 0.801 257 P CB 0.871 32.519 31.700 -0.087 0.000 1.006 258 T N -2.622 111.727 114.554 -0.342 0.000 3.028 258 T HA 0.321 4.672 4.350 0.001 0.000 0.250 258 T C 0.660 175.067 174.700 -0.488 0.000 0.979 258 T CA 0.854 62.797 62.100 -0.261 0.000 1.004 258 T CB -0.674 68.120 68.868 -0.124 0.000 1.120 258 T HN 0.551 nan 8.240 nan 0.000 0.482 259 D N 0.068 120.069 120.400 -0.666 0.000 2.198 259 D HA 0.694 5.335 4.640 0.001 0.000 0.247 259 D C -1.145 174.637 176.300 -0.864 0.000 1.010 259 D CA -0.563 53.120 54.000 -0.528 0.000 0.880 259 D CB 1.262 41.920 40.800 -0.238 0.000 1.209 259 D HN 0.238 nan 8.370 nan 0.000 0.451 260 F N 0.205 120.178 119.950 0.039 0.000 2.613 260 F HA 0.430 4.959 4.527 0.002 0.000 0.310 260 F C 1.072 176.909 175.800 0.062 0.000 1.085 260 F CA -1.061 56.975 58.000 0.059 0.000 0.945 260 F CB 2.530 41.563 39.000 0.054 0.000 1.298 260 F HN 0.377 nan 8.300 nan 0.000 0.455 261 N N -0.410 118.465 118.700 0.291 0.000 2.454 261 N HA 0.098 4.839 4.740 0.001 0.000 0.177 261 N C -0.221 175.392 175.510 0.171 0.000 1.049 261 N CA 0.616 53.773 53.050 0.179 0.000 0.887 261 N CB 0.683 39.252 38.487 0.137 0.000 1.095 261 N HN 0.456 nan 8.380 nan 0.000 0.446 262 T N 0.604 115.296 114.554 0.230 0.000 2.886 262 T HA 0.449 4.800 4.350 0.001 0.000 0.292 262 T C -0.180 174.646 174.700 0.211 0.000 1.012 262 T CA -0.637 61.582 62.100 0.199 0.000 0.982 262 T CB 2.501 71.486 68.868 0.195 0.000 1.018 262 T HN 0.142 nan 8.240 nan 0.000 0.451 263 T N 0.437 115.058 114.554 0.113 0.000 2.907 263 T HA 0.865 5.215 4.350 0.001 0.000 0.292 263 T C -0.894 173.819 174.700 0.022 0.000 1.043 263 T CA -0.792 61.323 62.100 0.025 0.000 1.003 263 T CB 0.987 69.822 68.868 -0.056 0.000 1.084 263 T HN 0.499 nan 8.240 nan 0.000 0.483 264 I N 1.243 121.799 120.570 -0.022 0.000 2.619 264 I HA 0.437 4.608 4.170 0.001 0.000 0.292 264 I C -0.600 175.379 176.117 -0.231 0.000 1.100 264 I CA -0.895 60.304 61.300 -0.168 0.000 1.043 264 I CB 2.909 40.789 38.000 -0.201 0.000 1.239 264 I HN 0.694 nan 8.210 nan 0.000 0.420 265 T N 5.216 119.573 114.554 -0.328 0.000 2.791 265 T HA 0.603 4.954 4.350 0.001 0.000 0.288 265 T C -0.779 173.776 174.700 -0.242 0.000 0.999 265 T CA -0.326 61.663 62.100 -0.185 0.000 0.952 265 T CB 0.518 69.326 68.868 -0.102 0.000 0.938 265 T HN 0.121 nan 8.240 nan 0.000 0.444 266 F N 2.097 122.042 119.950 -0.008 0.000 2.538 266 F HA 0.426 4.954 4.527 0.001 0.000 0.325 266 F C 0.821 176.621 175.800 0.001 0.000 1.066 266 F CA -1.241 56.761 58.000 0.002 0.000 0.946 266 F CB 1.265 40.269 39.000 0.008 0.000 1.199 266 F HN 0.384 nan 8.300 nan 0.000 0.473 267 N N 1.398 120.244 118.700 0.243 0.000 2.475 267 N HA 0.045 4.786 4.740 0.001 0.000 0.267 267 N C 0.765 176.346 175.510 0.120 0.000 1.169 267 N CA 0.081 53.214 53.050 0.140 0.000 0.947 267 N CB 1.366 39.913 38.487 0.101 0.000 1.061 267 N HN 0.463 nan 8.380 nan 0.000 0.466 268 V N 4.473 124.433 119.914 0.076 0.000 2.295 268 V HA -0.218 3.903 4.120 0.001 0.000 0.246 268 V C 2.300 178.402 176.094 0.014 0.000 1.049 268 V CA 1.371 63.694 62.300 0.038 0.000 1.024 268 V CB -0.281 31.561 31.823 0.032 0.000 0.648 268 V HN 0.582 nan 8.190 nan 0.000 0.447 269 V N 0.644 120.571 119.914 0.022 0.000 2.295 269 V HA -0.250 3.871 4.120 0.001 0.000 0.246 269 V C 2.335 178.434 176.094 0.008 0.000 1.049 269 V CA 2.263 64.570 62.300 0.011 0.000 1.024 269 V CB -0.916 30.916 31.823 0.015 0.000 0.648 269 V HN 0.556 nan 8.190 nan 0.000 0.447 270 N N 0.044 118.759 118.700 0.025 0.000 2.120 270 N HA -0.135 4.605 4.740 0.001 0.000 0.188 270 N C 1.602 177.113 175.510 0.002 0.000 1.024 270 N CA 1.190 54.257 53.050 0.027 0.000 0.852 270 N CB -0.573 37.950 38.487 0.061 0.000 1.003 270 N HN 0.359 nan 8.380 nan 0.000 0.424 271 L N 1.557 122.764 121.223 -0.028 0.000 2.017 271 L HA -0.030 4.311 4.340 0.001 0.000 0.208 271 L C 2.310 179.121 176.870 -0.098 0.000 1.073 271 L CA 1.535 56.288 54.840 -0.145 0.000 0.745 271 L CB -0.624 41.228 42.059 -0.345 0.000 0.894 271 L HN 0.058 nan 8.230 nan 0.000 0.432 272 R N -0.840 119.623 120.500 -0.060 0.000 2.103 272 R HA -0.224 4.116 4.340 0.001 0.000 0.242 272 R C 2.261 178.545 176.300 -0.026 0.000 1.142 272 R CA 2.147 58.224 56.100 -0.038 0.000 0.960 272 R CB -0.194 30.090 30.300 -0.026 0.000 0.858 272 R HN 0.569 nan 8.270 nan 0.000 0.439 273 Q N -0.235 119.553 119.800 -0.020 0.000 2.167 273 Q HA -0.014 4.326 4.340 0.001 0.000 0.202 273 Q C 0.772 176.762 176.000 -0.017 0.000 0.970 273 Q CA 0.729 56.523 55.803 -0.014 0.000 0.855 273 Q CB 0.152 28.886 28.738 -0.007 0.000 0.911 273 Q HN 0.192 nan 8.270 nan 0.000 0.438 277 R N 1.602 122.091 120.500 -0.019 0.000 2.062 277 R HA 0.041 4.382 4.340 0.001 0.000 0.231 277 R C 2.431 178.714 176.300 -0.030 0.000 1.136 277 R CA 1.550 57.636 56.100 -0.024 0.000 0.948 277 R CB -0.240 30.045 30.300 -0.025 0.000 0.845 277 R HN 0.121 nan 8.270 nan 0.000 0.430 278 A N 1.254 124.054 122.820 -0.033 0.000 1.927 278 A HA -0.279 4.042 4.320 0.001 0.000 0.220 278 A C 2.129 179.690 177.584 -0.039 0.000 1.185 278 A CA 1.938 53.950 52.037 -0.042 0.000 0.639 278 A CB -0.608 18.363 19.000 -0.047 0.000 0.820 278 A HN 0.306 nan 8.150 nan 0.000 0.451 279 R N -0.495 119.988 120.500 -0.029 0.000 2.115 279 R HA 0.009 4.350 4.340 0.001 0.000 0.230 279 R C 1.955 178.237 176.300 -0.030 0.000 1.111 279 R CA 1.094 57.177 56.100 -0.029 0.000 0.976 279 R CB -0.404 29.885 30.300 -0.020 0.000 0.870 279 R HN 0.542 nan 8.270 nan 0.000 0.445 280 L N 0.362 121.568 121.223 -0.027 0.000 2.081 280 L HA -0.244 4.097 4.340 0.001 0.000 0.212 280 L C 1.974 178.824 176.870 -0.033 0.000 1.080 280 L CA 1.258 56.082 54.840 -0.027 0.000 0.754 280 L CB -0.241 41.803 42.059 -0.025 0.000 0.893 280 L HN 0.253 nan 8.230 nan 0.000 0.433 281 L N -1.422 119.778 121.223 -0.038 0.000 2.298 281 L HA -0.032 4.309 4.340 0.001 0.000 0.209 281 L C 2.670 179.512 176.870 -0.047 0.000 1.084 281 L CA 1.083 55.895 54.840 -0.046 0.000 0.816 281 L CB -0.313 41.714 42.059 -0.052 0.000 0.967 281 L HN 0.226 nan 8.230 nan 0.000 0.460 282 S N -1.348 114.325 115.700 -0.045 0.000 2.453 282 S HA -0.113 4.358 4.470 0.001 0.000 0.231 282 S C 1.976 176.550 174.600 -0.043 0.000 1.005 282 S CA 0.862 59.034 58.200 -0.046 0.000 0.949 282 S CB -0.570 62.597 63.200 -0.056 0.000 0.774 282 S HN 0.450 nan 8.310 nan 0.000 0.510 283 S N 1.566 117.242 115.700 -0.040 0.000 2.522 283 S HA 0.362 4.833 4.470 0.001 0.000 0.227 283 S C 1.870 176.452 174.600 -0.030 0.000 0.986 283 S CA 0.345 58.523 58.200 -0.036 0.000 0.929 283 S CB -0.478 62.703 63.200 -0.032 0.000 0.769 283 S HN 0.709 nan 8.310 nan 0.000 0.529 284 A N 1.693 124.494 122.820 -0.033 0.000 2.015 284 A HA 0.129 4.450 4.320 0.001 0.000 0.219 284 A C 1.372 178.939 177.584 -0.027 0.000 1.163 284 A CA 1.039 53.058 52.037 -0.030 0.000 0.646 284 A CB -0.881 18.096 19.000 -0.038 0.000 0.806 284 A HN 0.528 nan 8.150 nan 0.000 0.448 285 T N -0.693 113.845 114.554 -0.027 0.000 2.918 285 T HA 0.268 4.618 4.350 0.001 0.000 0.283 285 T C 0.835 175.523 174.700 -0.019 0.000 1.001 285 T CA -0.628 61.461 62.100 -0.019 0.000 1.041 285 T CB 1.334 70.193 68.868 -0.015 0.000 1.028 285 T HN 0.213 nan 8.240 nan 0.000 0.511 286 Q N 1.310 121.102 119.800 -0.013 0.000 2.020 286 Q HA -0.102 4.239 4.340 0.001 0.000 0.198 286 Q C 2.302 178.291 176.000 -0.018 0.000 0.974 286 Q CA 1.174 56.969 55.803 -0.013 0.000 0.829 286 Q CB -0.509 28.226 28.738 -0.005 0.000 0.894 286 Q HN 0.751 nan 8.270 nan 0.000 0.433 287 N N 0.139 118.832 118.700 -0.011 0.000 2.069 287 N HA -0.214 4.527 4.740 0.001 0.000 0.196 287 N C 0.596 176.088 175.510 -0.029 0.000 1.024 287 N CA 1.446 54.488 53.050 -0.012 0.000 0.869 287 N CB -0.204 38.282 38.487 -0.002 0.000 1.035 287 N HN 0.371 nan 8.380 nan 0.000 0.434 288 G N 1.300 110.080 108.800 -0.033 0.000 2.386 288 G HA2 -0.257 3.704 3.960 0.001 0.000 0.295 288 G HA3 -0.257 3.704 3.960 0.001 0.000 0.295 288 G C 0.013 174.874 174.900 -0.065 0.000 0.979 288 G CA 0.969 46.039 45.100 -0.050 0.000 1.193 288 G HN 0.737 nan 8.290 nan 0.000 0.508 289 T N -3.362 111.154 114.554 -0.063 0.000 2.912 289 T HA 0.732 5.083 4.350 0.001 0.000 0.288 289 T C 0.004 174.616 174.700 -0.146 0.000 1.030 289 T CA -0.470 61.570 62.100 -0.101 0.000 1.020 289 T CB 2.848 71.668 68.868 -0.079 0.000 1.056 289 T HN 1.120 nan 8.240 nan 0.000 0.480 290 V N 1.281 121.028 119.914 -0.278 0.000 2.612 290 V HA 0.697 4.818 4.120 0.001 0.000 0.301 290 V C -0.421 175.406 176.094 -0.445 0.000 1.046 290 V CA -0.952 61.153 62.300 -0.326 0.000 0.946 290 V CB 1.572 33.180 31.823 -0.359 0.000 1.003 290 V HN 1.085 nan 8.190 nan 0.000 0.459 291 K N 6.107 126.365 120.400 -0.236 0.000 2.394 291 K HA 0.528 4.848 4.320 0.001 0.000 0.260 291 K C -1.333 175.230 176.600 -0.061 0.000 0.967 291 K CA -0.524 55.669 56.287 -0.156 0.000 0.855 291 K CB 1.255 33.725 32.500 -0.050 0.000 1.101 291 K HN 0.730 nan 8.250 nan 0.000 0.433 292 L N 3.789 124.967 121.223 -0.075 0.000 2.290 292 L HA 0.305 4.646 4.340 0.001 0.000 0.284 292 L C -0.034 176.852 176.870 0.026 0.000 1.078 292 L CA -0.274 54.592 54.840 0.042 0.000 0.815 292 L CB 1.321 43.449 42.059 0.114 0.000 1.162 292 L HN 0.744 nan 8.230 nan 0.000 0.435 293 E N 4.665 124.920 120.200 0.092 0.000 2.158 293 E HA 0.445 4.796 4.350 0.001 0.000 0.271 293 E C -1.261 175.358 176.600 0.032 0.000 0.911 293 E CA -0.688 55.734 56.400 0.036 0.000 0.767 293 E CB 1.559 31.285 29.700 0.042 0.000 1.120 293 E HN 0.457 nan 8.360 nan 0.000 0.405 294 I N 3.616 124.172 120.570 -0.024 0.000 2.437 294 I HA 0.321 4.492 4.170 0.001 0.000 0.279 294 I C -0.209 175.895 176.117 -0.022 0.000 1.028 294 I CA -0.272 61.015 61.300 -0.022 0.000 1.142 294 I CB 1.417 39.378 38.000 -0.064 0.000 1.266 294 I HN 0.362 nan 8.210 nan 0.000 0.461 295 K N 2.377 122.774 120.400 -0.005 0.000 2.463 295 K HA 0.461 4.781 4.320 0.001 0.000 0.255 295 K C 0.090 176.688 176.600 -0.004 0.000 0.942 295 K CA -0.441 55.842 56.287 -0.008 0.000 0.814 295 K CB 1.372 33.869 32.500 -0.006 0.000 1.122 295 K HN 0.515 nan 8.250 nan 0.000 0.425 296 D N 1.442 121.838 120.400 -0.007 0.000 2.686 296 D HA -0.139 4.502 4.640 0.001 0.000 0.235 296 D C 1.378 177.674 176.300 -0.008 0.000 1.160 296 D CA 2.446 56.442 54.000 -0.006 0.000 0.645 296 D CB -1.465 39.333 40.800 -0.004 0.000 1.039 296 D HN 2.484 nan 8.370 nan 0.000 0.423 297 G N -2.468 106.325 108.800 -0.012 0.000 2.241 297 G HA2 -0.261 3.700 3.960 0.001 0.000 0.244 297 G HA3 -0.261 3.700 3.960 0.001 0.000 0.244 297 G C 0.421 175.311 174.900 -0.017 0.000 0.998 297 G CA 0.204 45.292 45.100 -0.020 0.000 0.621 297 G HN 1.489 nan 8.290 nan 0.000 0.519 298 V N 1.240 121.152 119.914 -0.003 0.000 2.481 298 V HA 0.656 4.777 4.120 0.001 0.000 0.286 298 V C 0.470 176.580 176.094 0.027 0.000 1.042 298 V CA -0.661 61.646 62.300 0.012 0.000 0.928 298 V CB 1.797 33.632 31.823 0.019 0.000 0.986 298 V HN 0.293 nan 8.190 nan 0.000 0.462 299 V N 4.317 124.259 119.914 0.047 0.000 2.495 299 V HA 0.760 4.881 4.120 0.001 0.000 0.298 299 V C -0.089 176.064 176.094 0.098 0.000 1.031 299 V CA -0.249 62.105 62.300 0.090 0.000 0.871 299 V CB 2.037 33.947 31.823 0.145 0.000 0.988 299 V HN 1.060 nan 8.190 nan 0.000 0.432 300 S N 3.019 118.780 115.700 0.102 0.000 2.564 300 S HA 0.928 5.398 4.470 0.001 0.000 0.274 300 S C -0.687 173.899 174.600 -0.023 0.000 1.124 300 S CA -0.548 57.668 58.200 0.026 0.000 0.869 300 S CB 2.133 65.373 63.200 0.067 0.000 1.105 300 S HN 1.291 nan 8.310 nan 0.000 0.472 301 A N 2.117 124.800 122.820 -0.229 0.000 2.330 301 A HA 0.799 5.120 4.320 0.001 0.000 0.327 301 A C -0.689 176.598 177.584 -0.495 0.000 1.155 301 A CA -0.676 51.239 52.037 -0.203 0.000 0.803 301 A CB 0.664 19.597 19.000 -0.112 0.000 1.208 301 A HN 0.910 nan 8.150 nan 0.000 0.477 302 H N 1.068 120.108 119.070 -0.049 0.000 2.759 302 H HA 0.542 5.099 4.556 0.002 0.000 0.354 302 H C -1.530 173.772 175.328 -0.044 0.000 1.074 302 H CA -0.557 55.471 56.048 -0.033 0.000 1.226 302 H CB 1.933 31.680 29.762 -0.025 0.000 1.648 302 H HN 0.394 nan 8.280 nan 0.000 0.529 303 V N 3.214 123.173 119.914 0.076 0.000 2.638 303 V HA 0.138 4.259 4.120 0.001 0.000 0.306 303 V C -0.303 175.846 176.094 0.091 0.000 1.052 303 V CA -0.698 61.628 62.300 0.043 0.000 0.885 303 V CB 2.457 34.271 31.823 -0.015 0.000 0.999 303 V HN 0.762 nan 8.190 nan 0.000 0.424 304 H N 3.105 122.173 119.070 -0.003 0.000 2.762 304 H HA 0.451 5.008 4.556 0.001 0.000 0.310 304 H C -0.994 174.327 175.328 -0.011 0.000 1.004 304 H CA -0.088 55.958 56.048 -0.003 0.000 1.267 304 H CB 1.827 31.587 29.762 -0.003 0.000 1.437 304 H HN 0.613 nan 8.280 nan 0.000 0.498 305 S N 7.455 122.947 115.700 -0.347 0.000 2.488 305 S HA 0.346 4.816 4.470 0.001 0.000 0.310 305 S C -2.628 171.767 174.600 -0.341 0.000 1.093 305 S CA -1.407 56.653 58.200 -0.233 0.000 1.129 305 S CB 0.396 63.515 63.200 -0.134 0.000 0.989 305 S HN 0.521 nan 8.310 nan 0.000 0.479 306 P HA 0.350 nan 4.420 nan 0.000 0.269 306 P C 0.804 178.051 177.300 -0.089 0.000 1.209 306 P CA 1.271 64.284 63.100 -0.145 0.000 0.776 306 P CB 0.409 32.159 31.700 0.082 0.000 0.876 307 E N -0.871 119.289 120.200 -0.067 0.000 4.289 307 E HA -0.242 4.109 4.350 0.001 0.000 0.351 307 E C 0.821 177.386 176.600 -0.058 0.000 0.606 307 E CA 1.804 58.178 56.400 -0.044 0.000 1.464 307 E CB -2.633 27.052 29.700 -0.026 0.000 1.831 307 E HN 0.280 nan 8.360 nan 0.000 0.400 308 V N -2.000 117.860 119.914 -0.090 0.000 2.948 308 V HA 0.722 4.843 4.120 0.001 0.000 0.234 308 V C 1.613 177.652 176.094 -0.091 0.000 1.205 308 V CA 1.612 63.865 62.300 -0.079 0.000 1.234 308 V CB 0.934 32.714 31.823 -0.073 0.000 1.020 308 V HN 1.791 nan 8.190 nan 0.000 0.491 309 G N 0.066 108.781 108.800 -0.142 0.000 2.336 309 G HA2 0.434 4.395 3.960 0.001 0.000 0.286 309 G HA3 0.434 4.395 3.960 0.001 0.000 0.286 309 G C -1.714 173.085 174.900 -0.168 0.000 1.269 309 G CA -0.068 44.956 45.100 -0.128 0.000 0.873 309 G HN 0.290 nan 8.290 nan 0.000 0.494 310 K N -0.746 119.602 120.400 -0.086 0.000 2.557 310 K HA 0.616 4.936 4.320 0.001 0.000 0.257 310 K C -1.869 174.723 176.600 -0.013 0.000 0.933 310 K CA -0.697 55.566 56.287 -0.039 0.000 0.820 310 K CB 2.442 34.956 32.500 0.023 0.000 1.330 310 K HN 0.583 nan 8.250 nan 0.000 0.432 311 V N 3.430 123.341 119.914 -0.005 0.000 2.448 311 V HA 0.432 4.552 4.120 0.001 0.000 0.295 311 V C -0.746 175.320 176.094 -0.046 0.000 1.025 311 V CA -0.893 61.390 62.300 -0.030 0.000 0.859 311 V CB 1.543 33.338 31.823 -0.047 0.000 0.988 311 V HN 0.764 nan 8.190 nan 0.000 0.431 312 N N 3.810 122.466 118.700 -0.074 0.000 2.540 312 N HA 0.318 5.059 4.740 0.001 0.000 0.275 312 N C -1.140 174.268 175.510 -0.170 0.000 1.053 312 N CA -0.275 52.679 53.050 -0.159 0.000 0.876 312 N CB 1.984 40.462 38.487 -0.015 0.000 1.284 312 N HN 0.908 nan 8.380 nan 0.000 0.518 313 E N 1.948 121.996 120.200 -0.252 0.000 2.256 313 E HA 0.190 4.541 4.350 0.001 0.000 0.268 313 E C -1.277 175.249 176.600 -0.123 0.000 0.877 313 E CA -0.567 55.749 56.400 -0.139 0.000 0.757 313 E CB 1.714 31.355 29.700 -0.097 0.000 1.183 313 E HN 0.469 nan 8.360 nan 0.000 0.418 314 E N 4.890 125.057 120.200 -0.055 0.000 2.259 314 E HA 0.250 4.601 4.350 0.001 0.000 0.281 314 E C -0.785 175.828 176.600 0.022 0.000 1.027 314 E CA -0.426 55.968 56.400 -0.010 0.000 0.838 314 E CB 0.765 30.468 29.700 0.006 0.000 1.066 314 E HN 0.470 nan 8.360 nan 0.000 0.401 315 I N 3.279 123.889 120.570 0.067 0.000 2.354 315 I HA 0.111 4.282 4.170 0.001 0.000 0.292 315 I C -0.176 176.026 176.117 0.141 0.000 0.989 315 I CA -0.661 60.716 61.300 0.128 0.000 1.188 315 I CB 1.807 39.936 38.000 0.216 0.000 1.342 315 I HN 0.384 nan 8.210 nan 0.000 0.457 316 D N 3.175 123.644 120.400 0.116 0.000 2.382 316 D HA 0.389 5.030 4.640 0.001 0.000 0.245 316 D C 0.183 176.533 176.300 0.083 0.000 1.120 316 D CA -0.056 53.990 54.000 0.076 0.000 0.890 316 D CB 1.762 42.595 40.800 0.054 0.000 1.201 316 D HN 0.761 nan 8.370 nan 0.000 0.433 317 T N -2.139 112.402 114.554 -0.021 0.000 2.909 317 T HA 0.327 4.678 4.350 0.001 0.000 0.299 317 T C 0.524 175.157 174.700 -0.112 0.000 1.073 317 T CA -0.827 61.182 62.100 -0.152 0.000 0.999 317 T CB 2.023 70.683 68.868 -0.346 0.000 1.098 317 T HN 0.204 nan 8.240 nan 0.000 0.477 318 D N 1.167 121.496 120.400 -0.119 0.000 2.117 318 D HA -0.027 4.613 4.640 0.001 0.000 0.198 318 D C 0.551 176.795 176.300 -0.094 0.000 0.982 318 D CA 1.446 55.400 54.000 -0.078 0.000 0.828 318 D CB 0.324 41.091 40.800 -0.055 0.000 0.967 318 D HN 0.734 nan 8.370 nan 0.000 0.464 319 Q N -0.750 118.963 119.800 -0.146 0.000 2.403 319 Q HA 0.442 4.782 4.340 0.001 0.000 0.267 319 Q C -2.221 173.687 176.000 -0.153 0.000 0.991 319 Q CA -0.722 55.010 55.803 -0.118 0.000 0.906 319 Q CB 1.898 30.585 28.738 -0.085 0.000 1.422 319 Q HN -0.079 nan 8.270 nan 0.000 0.400 320 V N 2.966 122.816 119.914 -0.107 0.000 2.483 320 V HA 0.636 4.757 4.120 0.001 0.000 0.297 320 V C -0.196 175.872 176.094 -0.043 0.000 1.027 320 V CA -0.292 61.955 62.300 -0.088 0.000 0.855 320 V CB 1.631 33.404 31.823 -0.082 0.000 0.995 320 V HN 0.913 nan 8.190 nan 0.000 0.424 321 T N 1.071 115.611 114.554 -0.022 0.000 2.942 321 T HA 0.948 5.299 4.350 0.001 0.000 0.289 321 T C 0.313 175.027 174.700 0.024 0.000 1.044 321 T CA 0.139 62.240 62.100 0.001 0.000 1.023 321 T CB 1.933 70.806 68.868 0.007 0.000 1.123 321 T HN 1.928 nan 8.240 nan 0.000 0.512 322 G N 1.353 110.171 108.800 0.029 0.000 2.484 322 G HA2 0.012 3.972 3.960 0.001 0.000 0.225 322 G HA3 0.012 3.972 3.960 0.001 0.000 0.225 322 G C -0.571 174.347 174.900 0.030 0.000 1.250 322 G CA -0.039 45.088 45.100 0.045 0.000 0.926 322 G HN 1.286 nan 8.290 nan 0.000 0.581 323 E N 0.286 120.507 120.200 0.035 0.000 2.243 323 E HA 0.617 4.968 4.350 0.001 0.000 0.260 323 E C -1.000 175.600 176.600 0.000 0.000 0.985 323 E CA -0.880 55.530 56.400 0.017 0.000 0.858 323 E CB 1.284 30.997 29.700 0.021 0.000 1.210 323 E HN 0.389 nan 8.360 nan 0.000 0.411 324 D N 0.303 120.697 120.400 -0.011 0.000 2.378 324 D HA 0.294 4.935 4.640 0.001 0.000 0.238 324 D C -0.508 175.764 176.300 -0.047 0.000 1.180 324 D CA 0.154 54.137 54.000 -0.028 0.000 0.895 324 D CB 0.708 41.494 40.800 -0.024 0.000 1.192 324 D HN 0.295 nan 8.370 nan 0.000 0.438 325 L N 0.012 121.186 121.223 -0.082 0.000 2.592 325 L HA 0.338 4.679 4.340 0.001 0.000 0.258 325 L C -1.316 175.475 176.870 -0.132 0.000 0.926 325 L CA -0.162 54.604 54.840 -0.123 0.000 0.885 325 L CB 2.329 44.251 42.059 -0.229 0.000 1.380 325 L HN 0.258 nan 8.230 nan 0.000 0.415 326 T N 5.920 120.412 114.554 -0.104 0.000 2.792 326 T HA 0.740 5.090 4.350 0.001 0.000 0.280 326 T C -0.986 173.666 174.700 -0.079 0.000 0.990 326 T CA -0.146 61.899 62.100 -0.092 0.000 0.960 326 T CB 0.884 69.710 68.868 -0.071 0.000 0.939 326 T HN 0.622 nan 8.240 nan 0.000 0.439 327 I N 1.857 122.381 120.570 -0.077 0.000 2.692 327 I HA 0.568 4.739 4.170 0.001 0.000 0.293 327 I C -1.034 175.103 176.117 0.033 0.000 1.200 327 I CA -0.332 60.968 61.300 0.000 0.000 1.036 327 I CB 1.911 39.884 38.000 -0.046 0.000 1.258 327 I HN 0.524 nan 8.210 nan 0.000 0.421 328 S N 6.424 122.169 115.700 0.075 0.000 2.503 328 S HA 0.841 5.312 4.470 0.001 0.000 0.301 328 S C -1.061 173.629 174.600 0.152 0.000 1.087 328 S CA -0.446 57.724 58.200 -0.050 0.000 1.042 328 S CB 1.483 64.658 63.200 -0.042 0.000 1.043 328 S HN 0.481 nan 8.310 nan 0.000 0.489 329 F N -0.338 119.707 119.950 0.158 0.000 2.745 329 F HA 0.597 5.125 4.527 0.001 0.000 0.316 329 F C -0.748 175.118 175.800 0.110 0.000 1.155 329 F CA -1.365 56.765 58.000 0.216 0.000 0.937 329 F CB 0.595 39.840 39.000 0.409 0.000 1.361 329 F HN 0.383 nan 8.300 nan 0.000 0.472 330 N N 2.859 121.754 118.700 0.325 0.000 2.420 330 N HA 0.297 5.038 4.740 0.001 0.000 0.262 330 N C -1.733 173.892 175.510 0.190 0.000 1.144 330 N CA -2.491 50.572 53.050 0.021 0.000 0.952 330 N CB 1.098 39.321 38.487 -0.440 0.000 1.081 330 N HN 0.426 nan 8.380 nan 0.000 0.480 331 P HA -0.044 nan 4.420 nan 0.000 0.223 331 P C 0.857 178.226 177.300 0.115 0.000 1.151 331 P CA 0.930 64.156 63.100 0.209 0.000 0.787 331 P CB 0.297 32.039 31.700 0.070 0.000 0.788 332 T N -0.682 113.862 114.554 -0.018 0.000 2.821 332 T HA -0.143 4.208 4.350 0.001 0.000 0.267 332 T C 1.571 176.335 174.700 0.107 0.000 1.046 332 T CA 1.297 63.390 62.100 -0.012 0.000 1.139 332 T CB -0.799 68.017 68.868 -0.087 0.000 0.871 332 T HN 0.018 nan 8.240 nan 0.000 0.454 333 Y N 0.996 121.368 120.300 0.120 0.000 2.181 333 Y HA 0.023 4.573 4.550 0.001 0.000 0.288 333 Y C 2.216 178.155 175.900 0.065 0.000 1.146 333 Y CA -0.293 57.872 58.100 0.107 0.000 1.164 333 Y CB -1.219 37.300 38.460 0.098 0.000 0.982 333 Y HN 0.110 nan 8.280 nan 0.000 0.515 334 L N 0.257 121.619 121.223 0.232 0.000 2.017 334 L HA -0.176 4.165 4.340 0.001 0.000 0.208 334 L C 2.146 179.048 176.870 0.054 0.000 1.073 334 L CA 1.545 56.445 54.840 0.100 0.000 0.745 334 L CB -1.098 41.021 42.059 0.101 0.000 0.894 334 L HN 0.181 nan 8.230 nan 0.000 0.432 335 I N -0.255 120.353 120.570 0.063 0.000 2.163 335 I HA -0.330 3.841 4.170 0.001 0.000 0.243 335 I C 2.131 178.220 176.117 -0.046 0.000 1.085 335 I CA 1.520 62.824 61.300 0.008 0.000 1.347 335 I CB -0.551 37.457 38.000 0.013 0.000 1.044 335 I HN 0.302 nan 8.210 nan 0.000 0.408 336 D N 0.495 120.871 120.400 -0.040 0.000 2.104 336 D HA -0.149 4.492 4.640 0.001 0.000 0.194 336 D C 2.414 178.486 176.300 -0.380 0.000 0.994 336 D CA 1.532 55.391 54.000 -0.234 0.000 0.830 336 D CB -0.293 40.459 40.800 -0.081 0.000 0.959 336 D HN 0.190 nan 8.370 nan 0.000 0.452 337 S N 0.299 115.938 115.700 -0.101 0.000 2.370 337 S HA -0.115 4.356 4.470 0.001 0.000 0.226 337 S C 2.201 176.771 174.600 -0.050 0.000 1.033 337 S CA 0.650 58.842 58.200 -0.014 0.000 1.011 337 S CB -0.233 62.978 63.200 0.019 0.000 0.852 337 S HN 0.237 nan 8.310 nan 0.000 0.457 338 L N 1.015 122.202 121.223 -0.060 0.000 2.023 338 L HA -0.053 4.288 4.340 0.001 0.000 0.205 338 L C 2.401 179.247 176.870 -0.040 0.000 1.073 338 L CA 1.162 55.977 54.840 -0.041 0.000 0.745 338 L CB -0.447 41.586 42.059 -0.043 0.000 0.900 338 L HN 0.194 nan 8.230 nan 0.000 0.435 339 K N 0.174 120.523 120.400 -0.085 0.000 2.286 339 K HA -0.183 4.138 4.320 0.001 0.000 0.203 339 K C 1.976 178.530 176.600 -0.076 0.000 1.045 339 K CA 1.294 57.528 56.287 -0.088 0.000 0.935 339 K CB -0.221 32.201 32.500 -0.131 0.000 0.737 339 K HN 0.322 nan 8.250 nan 0.000 0.460 340 A N 0.871 123.640 122.820 -0.085 0.000 2.119 340 A HA 0.054 4.375 4.320 0.001 0.000 0.216 340 A C 0.863 178.583 177.584 0.226 0.000 1.152 340 A CA 0.309 52.384 52.037 0.064 0.000 0.708 340 A CB -0.126 19.000 19.000 0.211 0.000 0.805 340 A HN 0.090 nan 8.150 nan 0.000 0.460 341 L N 0.291 121.626 121.223 0.187 0.000 2.395 341 L HA 0.234 4.575 4.340 0.001 0.000 0.269 341 L C 0.546 177.490 176.870 0.123 0.000 1.133 341 L CA -0.643 54.331 54.840 0.223 0.000 0.812 341 L CB 0.539 42.676 42.059 0.130 0.000 1.125 341 L HN 0.160 nan 8.230 nan 0.000 0.452 342 N N 0.099 118.870 118.700 0.119 0.000 2.230 342 N HA 0.023 4.764 4.740 0.001 0.000 0.202 342 N C 0.015 175.562 175.510 0.060 0.000 1.119 342 N CA 0.021 53.111 53.050 0.068 0.000 0.851 342 N CB 0.539 39.055 38.487 0.048 0.000 0.990 342 N HN 0.670 nan 8.380 nan 0.000 0.497 343 S N -0.648 115.094 115.700 0.071 0.000 2.651 343 S HA 0.275 4.746 4.470 0.001 0.000 0.291 343 S C 1.052 175.679 174.600 0.045 0.000 1.141 343 S CA -0.725 57.508 58.200 0.056 0.000 1.027 343 S CB 2.668 65.904 63.200 0.060 0.000 1.043 343 S HN 0.116 nan 8.310 nan 0.000 0.530 344 E N 0.924 121.147 120.200 0.038 0.000 2.153 344 E HA -0.047 4.304 4.350 0.001 0.000 0.194 344 E C 0.092 176.718 176.600 0.044 0.000 0.988 344 E CA 0.936 57.358 56.400 0.036 0.000 0.811 344 E CB 0.147 29.865 29.700 0.030 0.000 0.746 344 E HN 0.582 nan 8.360 nan 0.000 0.466 345 K N -0.357 120.070 120.400 0.044 0.000 2.443 345 K HA 0.475 4.796 4.320 0.001 0.000 0.251 345 K C -1.778 174.852 176.600 0.051 0.000 0.972 345 K CA -0.738 55.582 56.287 0.054 0.000 0.833 345 K CB 2.957 35.481 32.500 0.040 0.000 1.317 345 K HN -0.100 nan 8.250 nan 0.000 0.441 346 V N 1.381 121.340 119.914 0.074 0.000 2.686 346 V HA 0.405 4.526 4.120 0.001 0.000 0.306 346 V C -1.364 174.767 176.094 0.062 0.000 1.065 346 V CA -0.254 62.079 62.300 0.054 0.000 0.894 346 V CB 2.121 33.974 31.823 0.051 0.000 1.004 346 V HN 0.768 nan 8.190 nan 0.000 0.424 347 T N 8.372 122.921 114.554 -0.008 0.000 2.743 347 T HA 0.590 4.941 4.350 0.001 0.000 0.292 347 T C -0.219 174.419 174.700 -0.104 0.000 0.972 347 T CA 0.037 62.109 62.100 -0.047 0.000 0.967 347 T CB 0.391 69.212 68.868 -0.078 0.000 0.926 347 T HN 0.513 nan 8.240 nan 0.000 0.459 348 I N 2.684 123.193 120.570 -0.103 0.000 2.377 348 I HA 0.424 4.595 4.170 0.001 0.000 0.293 348 I C 0.198 176.005 176.117 -0.517 0.000 0.987 348 I CA -0.594 60.538 61.300 -0.280 0.000 1.185 348 I CB 1.668 39.534 38.000 -0.223 0.000 1.341 348 I HN 0.494 nan 8.210 nan 0.000 0.455 349 S N 5.374 120.637 115.700 -0.729 0.000 2.500 349 S HA 0.733 5.204 4.470 0.001 0.000 0.301 349 S C -0.826 173.314 174.600 -0.768 0.000 1.092 349 S CA -0.548 57.146 58.200 -0.844 0.000 1.030 349 S CB 1.418 63.787 63.200 -1.385 0.000 1.031 349 S HN 0.292 nan 8.310 nan 0.000 0.483 350 F N 0.784 120.696 119.950 -0.064 0.000 2.611 350 F HA 0.610 5.138 4.527 0.001 0.000 0.324 350 F C 1.009 177.030 175.800 0.369 0.000 1.061 350 F CA -0.938 57.166 58.000 0.174 0.000 0.954 350 F CB 1.061 40.088 39.000 0.045 0.000 1.301 350 F HN 0.431 nan 8.300 nan 0.000 0.482 351 I N -0.675 120.213 120.570 0.530 0.000 3.518 351 I HA 0.147 4.318 4.170 0.001 0.000 0.260 351 I C 0.222 176.475 176.117 0.227 0.000 1.148 351 I CA 0.376 61.877 61.300 0.336 0.000 1.440 351 I CB 0.575 38.721 38.000 0.244 0.000 1.485 351 I HN 0.609 nan 8.210 nan 0.000 0.456 352 S N -0.275 115.558 115.700 0.223 0.000 2.727 352 S HA 0.598 5.069 4.470 0.001 0.000 0.278 352 S C 0.264 174.951 174.600 0.146 0.000 1.186 352 S CA -0.082 58.201 58.200 0.140 0.000 0.836 352 S CB 1.710 64.978 63.200 0.112 0.000 1.186 352 S HN 0.115 nan 8.310 nan 0.000 0.499 353 A N 0.181 123.058 122.820 0.095 0.000 2.119 353 A HA 0.240 4.560 4.320 0.001 0.000 0.217 353 A C 1.700 179.376 177.584 0.153 0.000 1.153 353 A CA 1.505 53.602 52.037 0.100 0.000 0.692 353 A CB -0.947 18.085 19.000 0.053 0.000 0.799 353 A HN 1.605 nan 8.150 nan 0.000 0.458 354 V N -4.410 115.592 119.914 0.146 0.000 3.645 354 V HA 0.345 4.465 4.120 0.001 0.000 0.275 354 V C 0.522 176.713 176.094 0.161 0.000 1.356 354 V CA -0.398 61.989 62.300 0.144 0.000 1.051 354 V CB -0.340 31.543 31.823 0.100 0.000 0.828 354 V HN 0.326 nan 8.190 nan 0.000 0.441 355 R N 1.529 122.141 120.500 0.185 0.000 2.486 355 R HA 0.487 4.828 4.340 0.001 0.000 0.286 355 R C -2.618 173.832 176.300 0.250 0.000 0.999 355 R CA -2.077 54.132 56.100 0.181 0.000 0.993 355 R CB 0.839 31.232 30.300 0.155 0.000 1.084 355 R HN 0.200 nan 8.270 nan 0.000 0.487 356 P HA -0.098 nan 4.420 nan 0.000 0.266 356 P C -0.861 176.571 177.300 0.220 0.000 1.193 356 P CA 0.512 63.681 63.100 0.115 0.000 0.770 356 P CB 0.278 31.988 31.700 0.016 0.000 0.836 357 F N -0.793 119.205 119.950 0.080 0.000 2.523 357 F HA 0.784 5.312 4.527 0.002 0.000 0.329 357 F C 0.066 175.774 175.800 -0.152 0.000 1.061 357 F CA -1.029 56.953 58.000 -0.030 0.000 0.967 357 F CB 0.726 39.646 39.000 -0.133 0.000 1.218 357 F HN 0.224 nan 8.300 nan 0.000 0.480 358 T N 0.555 115.064 114.554 -0.076 0.000 2.925 358 T HA 0.793 5.144 4.350 0.001 0.000 0.285 358 T C -1.043 173.530 174.700 -0.211 0.000 1.021 358 T CA -0.752 61.243 62.100 -0.174 0.000 1.042 358 T CB 1.666 70.444 68.868 -0.151 0.000 1.037 358 T HN 0.619 nan 8.240 nan 0.000 0.481 359 L N 2.263 123.363 121.223 -0.205 0.000 2.409 359 L HA 0.739 5.080 4.340 0.001 0.000 0.272 359 L C -0.255 176.469 176.870 -0.244 0.000 0.980 359 L CA -0.939 53.783 54.840 -0.196 0.000 0.826 359 L CB 2.076 44.040 42.059 -0.158 0.000 1.268 359 L HN 0.852 nan 8.230 nan 0.000 0.407 360 V N 0.373 120.166 119.914 -0.202 0.000 3.040 360 V HA 0.842 4.963 4.120 0.001 0.000 0.312 360 V C -2.684 173.337 176.094 -0.122 0.000 1.115 360 V CA -2.414 59.768 62.300 -0.197 0.000 0.998 360 V CB 2.091 33.837 31.823 -0.128 0.000 1.042 360 V HN 0.552 nan 8.190 nan 0.000 0.433 361 P HA 0.342 nan 4.420 nan 0.000 0.271 361 P C -0.269 177.031 177.300 0.001 0.000 1.216 361 P CA 0.371 63.470 63.100 -0.002 0.000 0.771 361 P CB 0.957 32.701 31.700 0.074 0.000 0.864 362 A N 2.124 124.948 122.820 0.006 0.000 2.354 362 A HA 0.491 4.811 4.320 0.001 0.000 0.269 362 A C 0.882 178.474 177.584 0.012 0.000 1.109 362 A CA 0.511 52.549 52.037 0.003 0.000 0.800 362 A CB -1.162 17.840 19.000 0.002 0.000 1.045 362 A HN 0.811 nan 8.150 nan 0.000 0.489 363 D N -0.273 120.132 120.400 0.008 0.000 2.746 363 D HA 0.128 4.768 4.640 0.001 0.000 0.241 363 D C 0.058 176.369 176.300 0.019 0.000 1.140 363 D CA 1.549 55.556 54.000 0.012 0.000 0.707 363 D CB -2.010 38.797 40.800 0.011 0.000 1.034 363 D HN 1.586 nan 8.370 nan 0.000 0.423 364 T N -2.928 111.640 114.554 0.022 0.000 2.889 364 T HA 0.638 4.989 4.350 0.001 0.000 0.315 364 T C 1.001 175.720 174.700 0.031 0.000 1.291 364 T CA 1.400 63.518 62.100 0.031 0.000 1.028 364 T CB 1.505 70.401 68.868 0.046 0.000 1.235 364 T HN 0.943 nan 8.240 nan 0.000 0.491 365 D N 1.432 121.850 120.400 0.031 0.000 2.269 365 D HA 0.063 4.703 4.640 0.001 0.000 0.208 365 D C 0.755 177.078 176.300 0.038 0.000 0.963 365 D CA 0.897 54.914 54.000 0.029 0.000 0.864 365 D CB -0.218 40.595 40.800 0.023 0.000 0.936 365 D HN 0.733 nan 8.370 nan 0.000 0.505 366 E N 0.668 120.901 120.200 0.054 0.000 2.465 366 E HA 0.037 4.388 4.350 0.001 0.000 0.260 366 E C -0.796 175.861 176.600 0.096 0.000 0.980 366 E CA -0.143 56.303 56.400 0.078 0.000 0.927 366 E CB 0.608 30.377 29.700 0.115 0.000 0.934 366 E HN 0.214 nan 8.360 nan 0.000 0.459 367 D N 5.101 125.555 120.400 0.089 0.000 2.741 367 D HA 0.087 4.727 4.640 0.001 0.000 0.233 367 D C -1.304 175.096 176.300 0.166 0.000 1.160 367 D CA -0.121 53.932 54.000 0.088 0.000 1.003 367 D CB -0.428 40.399 40.800 0.046 0.000 1.064 367 D HN 0.211 nan 8.370 nan 0.000 0.503 371 L N 1.802 122.908 121.223 -0.194 0.000 2.422 371 L HA 0.706 5.047 4.340 0.001 0.000 0.264 371 L C -1.230 175.426 176.870 -0.357 0.000 0.984 371 L CA -0.734 53.954 54.840 -0.253 0.000 0.819 371 L CB 2.066 44.028 42.059 -0.162 0.000 1.330 371 L HN 0.525 nan 8.230 nan 0.000 0.410 372 I N 1.103 121.317 120.570 -0.594 0.000 2.534 372 I HA 0.255 4.426 4.170 0.001 0.000 0.288 372 I C -0.512 175.298 176.117 -0.512 0.000 1.077 372 I CA -0.352 60.572 61.300 -0.628 0.000 1.051 372 I CB 2.558 40.005 38.000 -0.922 0.000 1.234 372 I HN 0.482 nan 8.210 nan 0.000 0.425 373 T N 7.290 121.750 114.554 -0.157 0.000 2.780 373 T HA 0.325 4.675 4.350 0.001 0.000 0.294 373 T C -2.232 172.588 174.700 0.201 0.000 0.949 373 T CA -0.974 61.147 62.100 0.034 0.000 1.074 373 T CB 0.808 69.725 68.868 0.081 0.000 0.910 373 T HN 0.354 nan 8.240 nan 0.000 0.501 374 P HA 0.388 nan 4.420 nan 0.000 0.279 374 P C -0.918 176.557 177.300 0.291 0.000 1.282 374 P CA -0.554 62.799 63.100 0.422 0.000 0.788 374 P CB 0.757 32.744 31.700 0.478 0.000 1.139 375 V N 0.931 121.001 119.914 0.260 0.000 2.417 375 V HA 0.318 4.438 4.120 0.001 0.000 0.291 375 V C 0.928 177.099 176.094 0.129 0.000 1.024 375 V CA -0.771 61.633 62.300 0.172 0.000 0.861 375 V CB 1.022 32.927 31.823 0.136 0.000 0.985 375 V HN 0.506 nan 8.190 nan 0.000 0.436 376 R N 3.129 123.693 120.500 0.106 0.000 2.537 376 R HA 0.446 4.787 4.340 0.001 0.000 0.280 376 R C 0.106 176.439 176.300 0.054 0.000 1.058 376 R CA 0.409 56.556 56.100 0.078 0.000 1.057 376 R CB 0.654 30.995 30.300 0.068 0.000 0.973 376 R HN 0.975 nan 8.270 nan 0.000 0.438 377 T N 0.000 114.577 114.554 0.039 0.000 3.816 377 T HA 0.000 4.351 4.350 0.001 0.000 0.228 377 T CA 0.000 62.112 62.100 0.020 0.000 1.349 377 T CB 0.000 68.873 68.868 0.009 0.000 0.612 377 T HN 0.000 nan 8.240 nan 0.000 0.658