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 3mkh_1_C DATA FIRST_RESID 2 DATA SEQUENCE AIDFHLSASQ KGTYQAARSL ARNLLMPARQ TYLQHPPNSP LRFQSTQPTY DATA SEQUENCE AAAVSAGILK GQISPAHGGT GGTLIESAIL VEECYSVEPS AALTIFATGL DATA SEQUENCE GLTPINLAAG PQHAEFLAPF LSGEGSPLAS LVFSEPGGVA NALEKGAPGF DATA SEQUENCE QTTARLEGDE WVINGEKMWA TNCAGWDFKG CDLACVVCRD ATTPLEEGQD DATA SEQUENCE PENKVMIILV TRADLDRNGE GSFEVLRHVA TPGHTSVSGP HVRYTNVRVP DATA SEQUENCE TKNVLCPAGQ GAKVAFGAFD GSAVLVGAMG VGLMRAAFDA ALKFAKEDNR DATA SEQUENCE GGAVPLLERQ AFADLLSGVK IQTEAARALT WKAAHAMENG PGDYDARREL DATA SEQUENCE ALAAKVFCSE AAVKACTDVI NAVGISAYDL QRPFSDLLNT AVVLPIFDGG DATA SEQUENCE NVGIRRRHLQ QLMLKPTYDA WSSTYG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.530 177.584 -0.090 0.000 1.274 2 A CA 0.000 52.010 52.037 -0.045 0.000 0.836 2 A CB 0.000 18.986 19.000 -0.023 0.000 0.831 3 I N 2.440 122.959 120.570 -0.085 0.000 2.752 3 I HA 0.202 4.372 4.170 0.000 0.000 0.286 3 I C -0.049 175.988 176.117 -0.133 0.000 1.180 3 I CA 1.210 62.430 61.300 -0.133 0.000 1.404 3 I CB 0.197 38.169 38.000 -0.047 0.000 1.389 3 I HN 0.573 nan 8.210 nan 0.000 0.549 4 D N 5.837 126.063 120.400 -0.290 0.000 2.977 4 D HA 0.284 4.924 4.640 0.000 0.000 0.220 4 D C -0.507 175.564 176.300 -0.382 0.000 1.267 4 D CA -0.439 53.431 54.000 -0.216 0.000 0.884 4 D CB 1.123 41.843 40.800 -0.132 0.000 1.667 4 D HN 0.240 nan 8.370 nan 0.000 0.536 5 F N 0.678 120.547 119.950 -0.136 0.000 2.688 5 F HA 0.266 4.793 4.527 0.000 0.000 0.310 5 F C 0.789 176.618 175.800 0.050 0.000 1.098 5 F CA -0.350 57.642 58.000 -0.014 0.000 1.228 5 F CB 0.234 39.217 39.000 -0.027 0.000 1.042 5 F HN 0.265 nan 8.300 nan 0.000 0.557 6 H N 0.853 120.023 119.070 0.166 0.000 2.764 6 H HA 0.252 4.808 4.556 0.000 0.000 0.341 6 H C -0.255 175.107 175.328 0.057 0.000 1.072 6 H CA -0.797 55.316 56.048 0.109 0.000 1.444 6 H CB 0.847 30.648 29.762 0.066 0.000 1.458 6 H HN -0.136 nan 8.280 nan 0.000 0.572 7 L N 2.884 124.218 121.223 0.185 0.000 2.416 7 L HA 0.026 4.366 4.340 0.000 0.000 0.272 7 L C 0.700 177.597 176.870 0.045 0.000 1.161 7 L CA 0.250 55.124 54.840 0.057 0.000 0.845 7 L CB 0.814 42.895 42.059 0.036 0.000 1.119 7 L HN 0.711 nan 8.230 nan 0.000 0.464 8 S N 2.199 117.903 115.700 0.007 0.000 2.617 8 S HA 0.362 4.832 4.470 0.000 0.000 0.259 8 S C 1.348 175.955 174.600 0.011 0.000 1.301 8 S CA -0.147 58.058 58.200 0.007 0.000 0.984 8 S CB 0.770 63.965 63.200 -0.008 0.000 0.954 8 S HN 0.712 nan 8.310 nan 0.000 0.572 9 A N 1.042 123.869 122.820 0.012 0.000 1.908 9 A HA -0.062 4.258 4.320 0.000 0.000 0.218 9 A C 2.487 180.084 177.584 0.021 0.000 1.181 9 A CA 2.117 54.165 52.037 0.018 0.000 0.627 9 A CB -1.619 17.389 19.000 0.014 0.000 0.818 9 A HN 1.008 nan 8.150 nan 0.000 0.445 10 S N -0.784 114.923 115.700 0.010 0.000 2.382 10 S HA -0.225 4.245 4.470 0.000 0.000 0.228 10 S C 2.123 176.729 174.600 0.011 0.000 1.027 10 S CA 1.707 59.913 58.200 0.009 0.000 0.991 10 S CB -0.368 62.830 63.200 -0.003 0.000 0.823 10 S HN 0.691 nan 8.310 nan 0.000 0.469 11 Q N 0.338 120.134 119.800 -0.006 0.000 2.119 11 Q HA -0.018 4.322 4.340 0.000 0.000 0.201 11 Q C 2.305 178.334 176.000 0.048 0.000 0.972 11 Q CA 1.238 57.029 55.803 -0.019 0.000 0.847 11 Q CB -0.130 28.554 28.738 -0.090 0.000 0.903 11 Q HN 0.492 nan 8.270 nan 0.000 0.433 12 K N 0.152 120.592 120.400 0.065 0.000 2.103 12 K HA -0.133 4.187 4.320 0.000 0.000 0.207 12 K C 2.124 178.816 176.600 0.153 0.000 1.048 12 K CA 1.201 57.568 56.287 0.133 0.000 0.930 12 K CB -0.322 32.239 32.500 0.102 0.000 0.716 12 K HN 0.305 nan 8.250 nan 0.000 0.444 13 G N 0.454 109.309 108.800 0.091 0.000 2.421 13 G HA2 -0.250 3.710 3.960 0.000 0.000 0.216 13 G HA3 -0.250 3.710 3.960 0.000 0.000 0.216 13 G C 1.479 176.427 174.900 0.080 0.000 1.171 13 G CA 1.327 46.470 45.100 0.072 0.000 0.775 13 G HN 0.214 nan 8.290 nan 0.000 0.543 14 T N 0.065 114.669 114.554 0.084 0.000 2.665 14 T HA -0.240 4.110 4.350 0.000 0.000 0.268 14 T C 1.987 176.773 174.700 0.144 0.000 1.035 14 T CA 1.580 63.734 62.100 0.091 0.000 1.151 14 T CB -0.384 68.524 68.868 0.068 0.000 0.862 14 T HN 0.342 nan 8.240 nan 0.000 0.438 15 Y N 1.932 122.259 120.300 0.045 0.000 2.165 15 Y HA -0.166 4.385 4.550 0.000 0.000 0.286 15 Y C 2.546 178.489 175.900 0.071 0.000 1.155 15 Y CA 1.265 59.407 58.100 0.071 0.000 1.164 15 Y CB -0.434 38.075 38.460 0.082 0.000 0.978 15 Y HN 0.100 nan 8.280 nan 0.000 0.513 16 Q N -0.026 119.759 119.800 -0.025 0.000 2.079 16 Q HA -0.088 4.253 4.340 0.000 0.000 0.200 16 Q C 2.594 178.549 176.000 -0.075 0.000 0.974 16 Q CA 1.473 57.209 55.803 -0.111 0.000 0.840 16 Q CB -0.951 27.782 28.738 -0.009 0.000 0.898 16 Q HN 0.588 nan 8.270 nan 0.000 0.430 17 A N 0.923 123.737 122.820 -0.010 0.000 1.972 17 A HA -0.057 4.263 4.320 0.000 0.000 0.219 17 A C 2.281 179.872 177.584 0.012 0.000 1.169 17 A CA 1.781 53.823 52.037 0.008 0.000 0.635 17 A CB -0.538 18.481 19.000 0.032 0.000 0.810 17 A HN 0.347 nan 8.150 nan 0.000 0.446 18 A N -0.104 122.726 122.820 0.018 0.000 1.898 18 A HA -0.115 4.205 4.320 0.000 0.000 0.216 18 A C 2.220 179.806 177.584 0.003 0.000 1.181 18 A CA 1.347 53.416 52.037 0.053 0.000 0.620 18 A CB -0.420 18.650 19.000 0.116 0.000 0.819 18 A HN 0.543 nan 8.150 nan 0.000 0.442 19 R N -0.642 119.792 120.500 -0.110 0.000 2.096 19 R HA -0.098 4.242 4.340 0.000 0.000 0.235 19 R C 2.611 178.880 176.300 -0.052 0.000 1.127 19 R CA 1.460 57.487 56.100 -0.122 0.000 0.968 19 R CB -0.401 29.750 30.300 -0.248 0.000 0.861 19 R HN 0.545 nan 8.270 nan 0.000 0.440 20 S N 0.986 116.660 115.700 -0.043 0.000 2.345 20 S HA -0.107 4.363 4.470 0.000 0.000 0.220 20 S C 1.931 176.532 174.600 0.001 0.000 1.031 20 S CA 1.002 59.191 58.200 -0.019 0.000 0.996 20 S CB -0.239 62.952 63.200 -0.014 0.000 0.882 20 S HN 0.243 nan 8.310 nan 0.000 0.445 21 L N 2.210 123.442 121.223 0.016 0.000 2.021 21 L HA -0.054 4.286 4.340 0.000 0.000 0.215 21 L C 2.386 179.276 176.870 0.032 0.000 1.074 21 L CA 2.520 57.378 54.840 0.030 0.000 0.760 21 L CB -1.412 40.680 42.059 0.055 0.000 0.889 21 L HN 0.336 nan 8.230 nan 0.000 0.433 22 A N -0.507 122.337 122.820 0.040 0.000 1.898 22 A HA -0.208 4.112 4.320 0.000 0.000 0.216 22 A C 2.580 180.178 177.584 0.022 0.000 1.181 22 A CA 1.701 53.765 52.037 0.045 0.000 0.620 22 A CB -0.629 18.410 19.000 0.064 0.000 0.819 22 A HN 0.552 nan 8.150 nan 0.000 0.442 23 R N -0.780 119.726 120.500 0.011 0.000 2.119 23 R HA -0.047 4.293 4.340 0.000 0.000 0.222 23 R C 1.296 177.595 176.300 -0.002 0.000 1.088 23 R CA 1.408 57.508 56.100 0.001 0.000 0.984 23 R CB -0.092 30.206 30.300 -0.004 0.000 0.884 23 R HN 0.485 nan 8.270 nan 0.000 0.447 24 N N -0.569 118.132 118.700 0.001 0.000 2.432 24 N HA -0.006 4.734 4.740 0.000 0.000 0.174 24 N C 1.035 176.546 175.510 0.001 0.000 1.037 24 N CA 0.722 53.771 53.050 -0.001 0.000 0.892 24 N CB 0.374 38.861 38.487 -0.001 0.000 1.049 24 N HN 0.126 nan 8.380 nan 0.000 0.442 25 L N -0.018 121.210 121.223 0.008 0.000 2.515 25 L HA 0.280 4.620 4.340 0.000 0.000 0.202 25 L C 2.066 178.949 176.870 0.021 0.000 1.056 25 L CA 0.456 55.304 54.840 0.013 0.000 0.847 25 L CB -0.657 41.411 42.059 0.015 0.000 1.131 25 L HN -0.053 nan 8.230 nan 0.000 0.484 26 L N -1.185 120.053 121.223 0.024 0.000 2.027 26 L HA -0.153 4.187 4.340 0.000 0.000 0.206 26 L C 2.517 179.395 176.870 0.013 0.000 1.074 26 L CA 1.323 56.183 54.840 0.033 0.000 0.745 26 L CB -0.469 41.611 42.059 0.034 0.000 0.898 26 L HN 0.279 nan 8.230 nan 0.000 0.433 27 M N -0.415 119.181 119.600 -0.005 0.000 2.108 27 M HA -0.148 4.332 4.480 0.000 0.000 0.261 27 M C -0.308 175.959 176.300 -0.056 0.000 1.066 27 M CA 2.095 57.375 55.300 -0.033 0.000 1.107 27 M CB -1.220 31.363 32.600 -0.028 0.000 1.356 27 M HN 0.111 nan 8.290 nan 0.000 0.406 28 P HA -0.049 nan 4.420 nan 0.000 0.217 28 P C 1.068 178.340 177.300 -0.047 0.000 1.151 28 P CA 1.617 64.691 63.100 -0.042 0.000 0.828 28 P CB -0.168 31.519 31.700 -0.021 0.000 0.788 29 A N 0.237 123.053 122.820 -0.006 0.000 1.940 29 A HA -0.253 4.067 4.320 0.000 0.000 0.219 29 A C 2.406 179.944 177.584 -0.078 0.000 1.176 29 A CA 2.108 54.176 52.037 0.052 0.000 0.631 29 A CB -1.151 17.939 19.000 0.149 0.000 0.814 29 A HN 0.088 nan 8.150 nan 0.000 0.446 30 R N -1.046 119.296 120.500 -0.263 0.000 2.073 30 R HA -0.104 4.236 4.340 0.000 0.000 0.229 30 R C 2.154 178.067 176.300 -0.645 0.000 1.120 30 R CA 1.489 57.105 56.100 -0.807 0.000 0.967 30 R CB -0.315 29.716 30.300 -0.447 0.000 0.862 30 R HN 0.403 nan 8.270 nan 0.000 0.436 31 Q N 0.038 119.656 119.800 -0.304 0.000 2.135 31 Q HA -0.123 4.217 4.340 0.000 0.000 0.204 31 Q C 2.022 177.922 176.000 -0.167 0.000 0.981 31 Q CA 2.231 57.913 55.803 -0.201 0.000 0.856 31 Q CB -0.548 28.119 28.738 -0.120 0.000 0.902 31 Q HN 0.405 nan 8.270 nan 0.000 0.425 32 T N 1.000 115.478 114.554 -0.126 0.000 2.701 32 T HA -0.157 4.193 4.350 0.000 0.000 0.263 32 T C 1.710 176.447 174.700 0.062 0.000 1.040 32 T CA 1.637 63.721 62.100 -0.028 0.000 1.147 32 T CB -0.497 68.391 68.868 0.032 0.000 0.865 32 T HN 0.518 nan 8.240 nan 0.000 0.426 33 Y N 0.990 121.353 120.300 0.105 0.000 2.421 33 Y HA 0.185 4.735 4.550 0.000 0.000 0.292 33 Y C 1.822 177.802 175.900 0.134 0.000 1.136 33 Y CA -0.034 58.174 58.100 0.180 0.000 1.255 33 Y CB -0.993 37.563 38.460 0.160 0.000 0.991 33 Y HN 0.008 nan 8.280 nan 0.000 0.552 34 L N 0.812 122.037 121.223 0.003 0.000 2.265 34 L HA -0.151 4.189 4.340 0.000 0.000 0.215 34 L C 2.121 179.013 176.870 0.037 0.000 1.117 34 L CA 1.381 56.241 54.840 0.033 0.000 0.782 34 L CB -1.013 40.977 42.059 -0.115 0.000 0.914 34 L HN 0.387 nan 8.230 nan 0.000 0.441 35 Q N -1.279 118.504 119.800 -0.029 0.000 2.369 35 Q HA -0.019 4.321 4.340 0.000 0.000 0.206 35 Q C 0.263 176.143 176.000 -0.200 0.000 0.963 35 Q CA 0.570 56.289 55.803 -0.140 0.000 0.894 35 Q CB -0.025 28.573 28.738 -0.233 0.000 0.965 35 Q HN 0.554 nan 8.270 nan 0.000 0.475 36 H N 0.215 119.338 119.070 0.088 0.000 2.508 36 H HA 0.311 4.867 4.556 0.000 0.000 0.344 36 H C -2.052 173.328 175.328 0.086 0.000 1.192 36 H CA -2.244 53.855 56.048 0.086 0.000 1.290 36 H CB 0.545 30.370 29.762 0.104 0.000 1.571 36 H HN -0.121 nan 8.280 nan 0.000 0.555 37 P HA 0.021 nan 4.420 nan 0.000 0.269 37 P C -1.938 175.435 177.300 0.122 0.000 1.209 37 P CA -1.103 62.071 63.100 0.123 0.000 0.776 37 P CB 0.261 32.016 31.700 0.092 0.000 0.876 38 P HA -0.152 nan 4.420 nan 0.000 0.216 38 P C 0.663 178.002 177.300 0.065 0.000 1.150 38 P CA 1.567 64.719 63.100 0.087 0.000 0.837 38 P CB -0.254 31.485 31.700 0.066 0.000 0.786 39 N N -1.715 117.016 118.700 0.052 0.000 2.276 39 N HA 0.036 4.776 4.740 0.000 0.000 0.212 39 N C -0.189 175.331 175.510 0.018 0.000 1.127 39 N CA -0.042 53.028 53.050 0.034 0.000 0.834 39 N CB -0.369 38.135 38.487 0.028 0.000 1.014 39 N HN -0.098 nan 8.380 nan 0.000 0.491 40 S N 0.753 116.471 115.700 0.031 0.000 2.489 40 S HA 0.460 4.930 4.470 0.000 0.000 0.291 40 S C -1.906 172.694 174.600 0.001 0.000 1.151 40 S CA -1.506 56.697 58.200 0.005 0.000 1.082 40 S CB 1.355 64.579 63.200 0.040 0.000 1.019 40 S HN -0.101 nan 8.310 nan 0.000 0.492 41 P HA 0.011 nan 4.420 nan 0.000 0.231 41 P C 0.946 178.366 177.300 0.201 0.000 1.158 41 P CA 0.352 63.468 63.100 0.027 0.000 0.763 41 P CB 0.063 31.545 31.700 -0.364 0.000 0.805 42 L N -0.895 120.346 121.223 0.031 0.000 2.275 42 L HA -0.063 4.277 4.340 0.000 0.000 0.215 42 L C 2.464 179.192 176.870 -0.237 0.000 1.119 42 L CA 1.497 56.233 54.840 -0.173 0.000 0.790 42 L CB -0.914 40.914 42.059 -0.386 0.000 0.919 42 L HN -0.063 nan 8.230 nan 0.000 0.443 43 R N -1.399 119.096 120.500 -0.009 0.000 2.070 43 R HA -0.206 4.134 4.340 0.000 0.000 0.233 43 R C 2.278 178.658 176.300 0.133 0.000 1.137 43 R CA 1.814 57.974 56.100 0.101 0.000 0.945 43 R CB -0.713 29.621 30.300 0.057 0.000 0.845 43 R HN 0.275 nan 8.270 nan 0.000 0.430 44 F N 2.320 122.296 119.950 0.042 0.000 2.065 44 F HA -0.259 4.268 4.527 0.000 0.000 0.298 44 F C 2.217 178.181 175.800 0.273 0.000 1.112 44 F CA 1.695 59.776 58.000 0.135 0.000 1.212 44 F CB -0.463 38.627 39.000 0.151 0.000 0.975 44 F HN -0.005 nan 8.300 nan 0.000 0.476 45 Q N 0.018 119.775 119.800 -0.072 0.000 2.135 45 Q HA -0.215 4.125 4.340 0.000 0.000 0.204 45 Q C 2.364 178.239 176.000 -0.209 0.000 0.981 45 Q CA 2.097 57.770 55.803 -0.216 0.000 0.856 45 Q CB -0.549 28.115 28.738 -0.123 0.000 0.902 45 Q HN 0.615 nan 8.270 nan 0.000 0.425 46 S N -0.032 115.606 115.700 -0.104 0.000 2.555 46 S HA -0.076 4.394 4.470 0.000 0.000 0.230 46 S C 1.804 176.399 174.600 -0.010 0.000 0.978 46 S CA 1.164 59.348 58.200 -0.028 0.000 0.934 46 S CB -0.359 62.929 63.200 0.147 0.000 0.766 46 S HN 0.466 nan 8.310 nan 0.000 0.533 47 T N -1.725 112.831 114.554 0.004 0.000 3.129 47 T HA 0.154 4.504 4.350 0.000 0.000 0.251 47 T C 1.602 176.252 174.700 -0.084 0.000 1.117 47 T CA 0.426 62.581 62.100 0.091 0.000 1.034 47 T CB -0.244 68.787 68.868 0.272 0.000 0.968 47 T HN 0.505 nan 8.240 nan 0.000 0.526 48 Q N 1.872 121.323 119.800 -0.582 0.000 2.112 48 Q HA -0.075 4.265 4.340 0.000 0.000 0.206 48 Q C -0.723 175.004 176.000 -0.455 0.000 0.987 48 Q CA 1.770 56.871 55.803 -1.171 0.000 0.858 48 Q CB -0.847 26.848 28.738 -1.738 0.000 0.905 48 Q HN 0.430 nan 8.270 nan 0.000 0.420 49 P HA -0.116 nan 4.420 nan 0.000 0.214 49 P C 1.179 178.455 177.300 -0.040 0.000 1.163 49 P CA 1.747 64.763 63.100 -0.139 0.000 0.883 49 P CB -0.239 31.398 31.700 -0.105 0.000 0.788 50 T N -1.315 113.242 114.554 0.004 0.000 2.665 50 T HA -0.247 4.103 4.350 0.000 0.000 0.268 50 T C 1.653 176.414 174.700 0.103 0.000 1.035 50 T CA 1.539 63.672 62.100 0.055 0.000 1.151 50 T CB -1.197 67.725 68.868 0.091 0.000 0.862 50 T HN 0.073 nan 8.240 nan 0.000 0.438 51 Y N 1.868 122.188 120.300 0.032 0.000 2.097 51 Y HA -0.143 4.407 4.550 0.000 0.000 0.282 51 Y C 2.530 178.473 175.900 0.071 0.000 1.152 51 Y CA 1.256 59.424 58.100 0.114 0.000 1.136 51 Y CB -0.757 37.873 38.460 0.284 0.000 0.975 51 Y HN 0.191 nan 8.280 nan 0.000 0.498 52 A N 0.266 123.224 122.820 0.229 0.000 1.933 52 A HA -0.127 4.193 4.320 0.000 0.000 0.218 52 A C 2.400 180.004 177.584 0.032 0.000 1.175 52 A CA 1.831 53.941 52.037 0.121 0.000 0.628 52 A CB -1.477 17.539 19.000 0.027 0.000 0.814 52 A HN 0.620 nan 8.150 nan 0.000 0.444 53 A N -0.130 122.699 122.820 0.014 0.000 1.902 53 A HA 0.153 4.473 4.320 0.000 0.000 0.217 53 A C 2.484 180.060 177.584 -0.013 0.000 1.181 53 A CA 2.040 54.077 52.037 -0.001 0.000 0.623 53 A CB -0.940 18.059 19.000 -0.001 0.000 0.818 53 A HN 1.045 nan 8.150 nan 0.000 0.443 54 A N -0.555 122.243 122.820 -0.037 0.000 1.930 54 A HA 0.031 4.351 4.320 0.000 0.000 0.217 54 A C 2.191 179.731 177.584 -0.072 0.000 1.175 54 A CA 1.647 53.645 52.037 -0.066 0.000 0.627 54 A CB -0.880 18.047 19.000 -0.122 0.000 0.815 54 A HN 0.391 nan 8.150 nan 0.000 0.443 55 V N -0.020 119.839 119.914 -0.093 0.000 2.332 55 V HA -0.239 3.881 4.120 0.000 0.000 0.248 55 V C 2.725 178.820 176.094 0.001 0.000 1.055 55 V CA 2.345 64.624 62.300 -0.036 0.000 1.038 55 V CB -0.843 30.992 31.823 0.020 0.000 0.651 55 V HN 0.550 nan 8.190 nan 0.000 0.450 56 S N 0.134 115.835 115.700 0.001 0.000 2.399 56 S HA -0.071 4.399 4.470 0.000 0.000 0.231 56 S C 1.933 176.537 174.600 0.007 0.000 1.022 56 S CA 1.209 59.413 58.200 0.006 0.000 0.983 56 S CB -0.322 62.879 63.200 0.003 0.000 0.803 56 S HN 0.657 nan 8.310 nan 0.000 0.480 57 A N 0.200 123.022 122.820 0.004 0.000 2.238 57 A HA 0.502 4.822 4.320 0.000 0.000 0.208 57 A C 1.527 179.121 177.584 0.017 0.000 1.177 57 A CA 0.679 52.721 52.037 0.010 0.000 0.804 57 A CB -0.701 18.304 19.000 0.008 0.000 0.823 57 A HN 0.825 nan 8.150 nan 0.000 0.482 58 G N -0.542 108.269 108.800 0.019 0.000 2.132 58 G HA2 -0.235 3.725 3.960 0.000 0.000 0.234 58 G HA3 -0.235 3.725 3.960 0.000 0.000 0.234 58 G C 0.701 175.624 174.900 0.039 0.000 0.989 58 G CA 0.266 45.385 45.100 0.032 0.000 0.676 58 G HN 0.275 nan 8.290 nan 0.000 0.522 59 I N -0.277 120.308 120.570 0.026 0.000 2.286 59 I HA -0.098 4.072 4.170 0.000 0.000 0.248 59 I C 2.720 178.873 176.117 0.060 0.000 1.115 59 I CA 1.244 62.567 61.300 0.039 0.000 1.392 59 I CB -0.903 37.104 38.000 0.012 0.000 1.065 59 I HN 0.250 nan 8.210 nan 0.000 0.418 60 L N 0.516 121.776 121.223 0.063 0.000 2.109 60 L HA -0.095 4.245 4.340 0.000 0.000 0.207 60 L C 2.389 179.333 176.870 0.124 0.000 1.086 60 L CA 1.469 56.383 54.840 0.124 0.000 0.760 60 L CB -1.014 41.173 42.059 0.213 0.000 0.910 60 L HN 0.181 nan 8.230 nan 0.000 0.437 61 K N -0.497 119.966 120.400 0.104 0.000 2.103 61 K HA -0.120 4.200 4.320 0.000 0.000 0.207 61 K C 1.907 178.551 176.600 0.073 0.000 1.048 61 K CA 1.263 57.605 56.287 0.091 0.000 0.930 61 K CB -0.564 31.980 32.500 0.073 0.000 0.716 61 K HN 0.436 nan 8.250 nan 0.000 0.444 62 G N 0.715 109.555 108.800 0.066 0.000 2.708 62 G HA2 -0.202 3.758 3.960 0.000 0.000 0.210 62 G HA3 -0.202 3.758 3.960 0.000 0.000 0.210 62 G C 0.951 175.884 174.900 0.054 0.000 1.141 62 G CA 0.170 45.304 45.100 0.057 0.000 0.788 62 G HN 0.359 nan 8.290 nan 0.000 0.531 63 Q N -0.678 119.157 119.800 0.058 0.000 2.282 63 Q HA 0.351 4.691 4.340 0.000 0.000 0.206 63 Q C -0.124 175.886 176.000 0.017 0.000 0.878 63 Q CA -0.065 55.761 55.803 0.039 0.000 0.944 63 Q CB 0.969 29.734 28.738 0.045 0.000 1.100 63 Q HN 0.409 nan 8.270 nan 0.000 0.509 64 I N 1.292 121.885 120.570 0.039 0.000 2.433 64 I HA 0.173 4.343 4.170 0.000 0.000 0.292 64 I C 0.162 176.321 176.117 0.071 0.000 1.001 64 I CA -0.899 60.430 61.300 0.049 0.000 1.119 64 I CB 1.959 40.003 38.000 0.073 0.000 1.289 64 I HN -0.018 nan 8.210 nan 0.000 0.438 65 S N 5.194 120.955 115.700 0.101 0.000 2.572 65 S HA 0.217 4.687 4.470 0.000 0.000 0.279 65 S C -1.946 172.696 174.600 0.070 0.000 1.341 65 S CA -0.930 57.320 58.200 0.084 0.000 1.043 65 S CB 0.789 64.047 63.200 0.097 0.000 0.887 65 S HN 0.407 nan 8.310 nan 0.000 0.516 66 P HA -0.075 nan 4.420 nan 0.000 0.218 66 P C 1.351 178.634 177.300 -0.028 0.000 1.146 66 P CA 1.621 64.726 63.100 0.008 0.000 0.813 66 P CB -0.198 31.499 31.700 -0.005 0.000 0.778 67 A N -1.443 121.325 122.820 -0.087 0.000 2.121 67 A HA -0.172 4.148 4.320 0.000 0.000 0.218 67 A C 1.224 178.599 177.584 -0.349 0.000 1.154 67 A CA 1.429 53.328 52.037 -0.229 0.000 0.679 67 A CB -1.328 17.479 19.000 -0.321 0.000 0.795 67 A HN 0.332 nan 8.150 nan 0.000 0.458 68 H N -2.750 116.330 119.070 0.017 0.000 2.674 68 H HA 0.396 4.952 4.556 0.000 0.000 0.274 68 H C 1.315 176.666 175.328 0.038 0.000 1.121 68 H CA 0.444 56.510 56.048 0.030 0.000 1.132 68 H CB 0.805 30.587 29.762 0.032 0.000 1.606 68 H HN 0.515 nan 8.280 nan 0.000 0.558 69 G N -0.046 108.815 108.800 0.101 0.000 2.218 69 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 69 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 69 G C 0.875 175.820 174.900 0.075 0.000 0.994 69 G CA -0.190 44.958 45.100 0.080 0.000 0.637 69 G HN 0.665 nan 8.290 nan 0.000 0.505 70 G N -0.524 108.328 108.800 0.087 0.000 2.553 70 G HA2 0.543 4.503 3.960 0.000 0.000 0.278 70 G HA3 0.543 4.503 3.960 0.000 0.000 0.278 70 G C 0.979 175.910 174.900 0.051 0.000 1.349 70 G CA 1.223 46.368 45.100 0.074 0.000 1.037 70 G HN 1.252 nan 8.290 nan 0.000 0.508 71 T N -3.048 111.534 114.554 0.047 0.000 3.252 71 T HA 0.427 4.777 4.350 0.000 0.000 0.286 71 T C 0.986 175.703 174.700 0.029 0.000 1.013 71 T CA 0.371 62.492 62.100 0.034 0.000 0.914 71 T CB 0.151 69.039 68.868 0.034 0.000 1.131 71 T HN 0.807 nan 8.240 nan 0.000 0.529 72 G N 0.222 109.040 108.800 0.031 0.000 2.391 72 G HA2 0.459 4.419 3.960 0.000 0.000 0.234 72 G HA3 0.459 4.419 3.960 0.000 0.000 0.234 72 G C 0.449 175.354 174.900 0.008 0.000 1.284 72 G CA -0.049 45.064 45.100 0.022 0.000 0.873 72 G HN 0.592 nan 8.290 nan 0.000 0.549 73 G N 0.031 108.832 108.800 0.001 0.000 3.008 73 G HA2 0.684 4.644 3.960 0.000 0.000 0.181 73 G HA3 0.684 4.644 3.960 0.000 0.000 0.181 73 G C 0.374 175.258 174.900 -0.026 0.000 1.309 73 G CA 0.302 45.395 45.100 -0.012 0.000 1.009 73 G HN 1.037 nan 8.290 nan 0.000 0.584 74 T N -1.604 112.926 114.554 -0.040 0.000 2.874 74 T HA 0.316 4.666 4.350 0.000 0.000 0.281 74 T C 1.306 175.969 174.700 -0.063 0.000 0.994 74 T CA -0.535 61.532 62.100 -0.056 0.000 1.015 74 T CB 1.326 70.150 68.868 -0.072 0.000 1.028 74 T HN 0.210 nan 8.240 nan 0.000 0.523 75 L N 1.269 122.454 121.223 -0.064 0.000 2.131 75 L HA 0.089 4.429 4.340 0.000 0.000 0.210 75 L C 2.324 179.143 176.870 -0.084 0.000 1.092 75 L CA 1.291 56.093 54.840 -0.062 0.000 0.759 75 L CB -1.105 40.926 42.059 -0.047 0.000 0.903 75 L HN 0.824 nan 8.230 nan 0.000 0.435 76 I N -0.911 119.588 120.570 -0.118 0.000 2.226 76 I HA -0.303 3.867 4.170 0.000 0.000 0.245 76 I C 2.283 178.265 176.117 -0.225 0.000 1.100 76 I CA 1.293 62.463 61.300 -0.216 0.000 1.374 76 I CB -0.263 37.581 38.000 -0.262 0.000 1.057 76 I HN 0.321 nan 8.210 nan 0.000 0.413 77 E N 0.334 120.446 120.200 -0.146 0.000 2.106 77 E HA -0.150 4.200 4.350 0.000 0.000 0.192 77 E C 2.317 178.882 176.600 -0.057 0.000 0.984 77 E CA 1.311 57.653 56.400 -0.098 0.000 0.806 77 E CB -0.002 29.663 29.700 -0.058 0.000 0.750 77 E HN 0.352 nan 8.360 nan 0.000 0.458 78 S N 0.753 116.415 115.700 -0.064 0.000 2.382 78 S HA -0.175 4.295 4.470 0.000 0.000 0.228 78 S C 2.106 176.660 174.600 -0.077 0.000 1.027 78 S CA 0.954 59.111 58.200 -0.073 0.000 0.991 78 S CB -0.163 62.982 63.200 -0.091 0.000 0.823 78 S HN 0.384 nan 8.310 nan 0.000 0.469 79 A N 1.366 124.155 122.820 -0.052 0.000 1.902 79 A HA -0.045 4.275 4.320 0.000 0.000 0.217 79 A C 2.061 179.710 177.584 0.108 0.000 1.181 79 A CA 1.199 53.251 52.037 0.026 0.000 0.623 79 A CB -0.666 18.379 19.000 0.075 0.000 0.818 79 A HN 0.487 nan 8.150 nan 0.000 0.443 80 I N -0.844 119.765 120.570 0.065 0.000 2.252 80 I HA -0.208 3.962 4.170 0.000 0.000 0.245 80 I C 2.416 178.656 176.117 0.205 0.000 1.102 80 I CA 1.131 62.531 61.300 0.166 0.000 1.385 80 I CB -0.203 37.843 38.000 0.075 0.000 1.064 80 I HN 0.436 nan 8.210 nan 0.000 0.414 81 L N 0.326 121.627 121.223 0.130 0.000 2.027 81 L HA -0.117 4.223 4.340 0.000 0.000 0.206 81 L C 2.370 179.352 176.870 0.187 0.000 1.074 81 L CA 1.801 56.736 54.840 0.158 0.000 0.745 81 L CB -0.524 41.605 42.059 0.116 0.000 0.898 81 L HN -0.043 nan 8.230 nan 0.000 0.433 82 V N 0.202 120.137 119.914 0.033 0.000 2.343 82 V HA -0.298 3.822 4.120 0.000 0.000 0.247 82 V C 2.638 178.855 176.094 0.206 0.000 1.051 82 V CA 2.011 64.300 62.300 -0.018 0.000 1.036 82 V CB -0.759 30.869 31.823 -0.325 0.000 0.654 82 V HN 0.646 nan 8.190 nan 0.000 0.451 83 E N 0.250 120.567 120.200 0.194 0.000 2.058 83 E HA -0.329 4.021 4.350 0.000 0.000 0.194 83 E C 2.198 178.976 176.600 0.296 0.000 0.997 83 E CA 1.905 58.452 56.400 0.244 0.000 0.801 83 E CB -0.069 29.780 29.700 0.249 0.000 0.746 83 E HN 0.642 nan 8.360 nan 0.000 0.450 84 E N 0.155 120.536 120.200 0.302 0.000 2.072 84 E HA -0.141 4.209 4.350 0.000 0.000 0.191 84 E C 1.990 178.749 176.600 0.265 0.000 0.985 84 E CA 1.577 58.144 56.400 0.278 0.000 0.801 84 E CB -0.522 29.330 29.700 0.253 0.000 0.750 84 E HN 0.346 nan 8.360 nan 0.000 0.452 85 C N -0.078 119.426 119.300 0.340 0.000 2.440 85 C HA -0.063 4.397 4.460 0.000 0.000 0.278 85 C C 2.316 177.506 174.990 0.334 0.000 1.295 85 C CA 0.663 59.891 59.018 0.349 0.000 1.738 85 C CB -1.213 26.841 27.740 0.524 0.000 1.987 85 C HN 0.486 nan 8.230 nan 0.000 0.492 86 Y N 1.695 122.153 120.300 0.263 0.000 2.439 86 Y HA -0.118 4.432 4.550 0.000 0.000 0.292 86 Y C 2.774 178.764 175.900 0.149 0.000 1.130 86 Y CA 1.565 59.794 58.100 0.216 0.000 1.254 86 Y CB -0.373 38.228 38.460 0.235 0.000 1.000 86 Y HN 0.448 nan 8.280 nan 0.000 0.554 87 S N -2.012 113.840 115.700 0.254 0.000 2.522 87 S HA -0.034 4.436 4.470 0.000 0.000 0.227 87 S C 1.493 176.151 174.600 0.096 0.000 0.986 87 S CA 1.065 59.365 58.200 0.167 0.000 0.929 87 S CB -0.512 62.795 63.200 0.178 0.000 0.769 87 S HN 0.114 nan 8.310 nan 0.000 0.529 88 V N 0.128 120.091 119.914 0.081 0.000 2.948 88 V HA 0.397 4.517 4.120 0.000 0.000 0.234 88 V C 0.301 176.391 176.094 -0.007 0.000 1.205 88 V CA 0.641 62.963 62.300 0.036 0.000 1.234 88 V CB 0.389 32.241 31.823 0.048 0.000 1.020 88 V HN 0.519 nan 8.190 nan 0.000 0.491 89 E N 0.050 120.238 120.200 -0.021 0.000 2.759 89 E HA 0.307 4.657 4.350 0.000 0.000 0.318 89 E C -2.424 174.091 176.600 -0.142 0.000 1.093 89 E CA -1.561 54.809 56.400 -0.051 0.000 0.762 89 E CB 1.651 31.353 29.700 0.003 0.000 1.543 89 E HN 0.108 nan 8.360 nan 0.000 0.381 90 P HA -0.159 nan 4.420 nan 0.000 0.215 90 P C 1.284 178.407 177.300 -0.295 0.000 1.153 90 P CA 1.184 63.808 63.100 -0.792 0.000 0.853 90 P CB 0.352 31.508 31.700 -0.908 0.000 0.788 91 S N -0.888 114.746 115.700 -0.110 0.000 2.338 91 S HA -0.141 4.329 4.470 0.000 0.000 0.218 91 S C 2.028 176.705 174.600 0.128 0.000 1.032 91 S CA 1.428 59.668 58.200 0.067 0.000 0.999 91 S CB -1.152 62.045 63.200 -0.006 0.000 0.905 91 S HN 0.066 nan 8.310 nan 0.000 0.439 92 A N 1.441 124.360 122.820 0.165 0.000 1.940 92 A HA 0.085 4.405 4.320 0.000 0.000 0.219 92 A C 2.424 180.045 177.584 0.061 0.000 1.176 92 A CA 2.048 54.194 52.037 0.181 0.000 0.631 92 A CB -1.367 17.764 19.000 0.218 0.000 0.814 92 A HN 0.752 nan 8.150 nan 0.000 0.446 93 A N -0.538 122.257 122.820 -0.042 0.000 1.883 93 A HA -0.070 4.250 4.320 0.000 0.000 0.217 93 A C 2.124 179.459 177.584 -0.414 0.000 1.186 93 A CA 1.797 53.645 52.037 -0.315 0.000 0.624 93 A CB -0.631 18.275 19.000 -0.156 0.000 0.822 93 A HN 0.710 nan 8.150 nan 0.000 0.444 94 L N -0.130 121.133 121.223 0.066 0.000 2.083 94 L HA -0.107 4.233 4.340 0.000 0.000 0.209 94 L C 2.426 179.414 176.870 0.197 0.000 1.083 94 L CA 2.742 57.752 54.840 0.282 0.000 0.752 94 L CB -1.148 41.184 42.059 0.454 0.000 0.899 94 L HN 0.384 nan 8.230 nan 0.000 0.433 95 T N -0.044 114.622 114.554 0.186 0.000 2.720 95 T HA -0.195 4.155 4.350 0.000 0.000 0.268 95 T C 1.960 176.831 174.700 0.285 0.000 1.037 95 T CA 2.123 64.368 62.100 0.242 0.000 1.144 95 T CB -0.328 68.738 68.868 0.330 0.000 0.864 95 T HN 0.337 nan 8.240 nan 0.000 0.444 96 I N 0.236 120.915 120.570 0.182 0.000 2.163 96 I HA -0.122 4.048 4.170 0.000 0.000 0.240 96 I C 2.002 178.228 176.117 0.182 0.000 1.081 96 I CA 1.264 62.637 61.300 0.122 0.000 1.353 96 I CB -0.396 37.522 38.000 -0.135 0.000 1.054 96 I HN 0.153 nan 8.210 nan 0.000 0.407 97 F N 1.157 121.226 119.950 0.200 0.000 2.269 97 F HA -0.159 4.368 4.527 0.000 0.000 0.301 97 F C 2.587 178.456 175.800 0.116 0.000 1.082 97 F CA 0.789 58.878 58.000 0.149 0.000 1.360 97 F CB -1.533 37.569 39.000 0.170 0.000 1.041 97 F HN 0.027 nan 8.300 nan 0.000 0.512 98 A N -0.452 122.543 122.820 0.290 0.000 1.930 98 A HA -0.152 4.168 4.320 0.000 0.000 0.217 98 A C 2.309 179.970 177.584 0.129 0.000 1.175 98 A CA 2.079 54.226 52.037 0.182 0.000 0.627 98 A CB -1.247 17.846 19.000 0.156 0.000 0.815 98 A HN 0.336 nan 8.150 nan 0.000 0.443 99 T N -0.207 114.450 114.554 0.172 0.000 2.746 99 T HA -0.051 4.299 4.350 0.000 0.000 0.267 99 T C 1.983 176.700 174.700 0.027 0.000 1.039 99 T CA 1.460 63.633 62.100 0.123 0.000 1.142 99 T CB -0.610 68.424 68.868 0.276 0.000 0.866 99 T HN 0.596 nan 8.240 nan 0.000 0.444 100 G N 1.517 110.373 108.800 0.093 0.000 2.469 100 G HA2 -0.194 3.766 3.960 0.000 0.000 0.219 100 G HA3 -0.194 3.766 3.960 0.000 0.000 0.219 100 G C 1.515 176.404 174.900 -0.018 0.000 1.150 100 G CA 0.944 46.072 45.100 0.046 0.000 0.763 100 G HN 0.426 nan 8.290 nan 0.000 0.561 101 L N 1.616 122.842 121.223 0.005 0.000 2.056 101 L HA 0.175 4.515 4.340 0.000 0.000 0.207 101 L C 2.815 179.618 176.870 -0.111 0.000 1.078 101 L CA 2.271 57.079 54.840 -0.054 0.000 0.749 101 L CB -1.074 40.975 42.059 -0.016 0.000 0.901 101 L HN 0.165 nan 8.230 nan 0.000 0.433 102 G N -0.342 108.404 108.800 -0.089 0.000 2.442 102 G HA2 -0.247 3.713 3.960 0.000 0.000 0.219 102 G HA3 -0.247 3.713 3.960 0.000 0.000 0.219 102 G C 1.556 176.329 174.900 -0.212 0.000 1.141 102 G CA 1.206 46.224 45.100 -0.137 0.000 0.763 102 G HN 0.454 nan 8.290 nan 0.000 0.554 103 L N 0.361 121.445 121.223 -0.231 0.000 2.341 103 L HA 0.008 4.348 4.340 0.000 0.000 0.214 103 L C 3.033 179.773 176.870 -0.215 0.000 1.115 103 L CA 0.877 55.553 54.840 -0.272 0.000 0.820 103 L CB -0.587 41.298 42.059 -0.291 0.000 0.944 103 L HN 0.144 nan 8.230 nan 0.000 0.452 104 T N 0.631 115.076 114.554 -0.182 0.000 2.665 104 T HA -0.125 4.225 4.350 0.000 0.000 0.268 104 T C -0.486 174.098 174.700 -0.194 0.000 1.035 104 T CA 1.512 63.513 62.100 -0.166 0.000 1.151 104 T CB -1.083 67.691 68.868 -0.157 0.000 0.862 104 T HN 0.232 nan 8.240 nan 0.000 0.438 105 P HA 0.028 nan 4.420 nan 0.000 0.219 105 P C 1.321 178.470 177.300 -0.253 0.000 1.146 105 P CA 0.874 63.824 63.100 -0.249 0.000 0.808 105 P CB -0.200 31.332 31.700 -0.281 0.000 0.779 106 I N -0.912 119.493 120.570 -0.275 0.000 2.233 106 I HA -0.213 3.957 4.170 0.000 0.000 0.243 106 I C 1.982 177.908 176.117 -0.317 0.000 1.093 106 I CA 1.370 62.479 61.300 -0.319 0.000 1.380 106 I CB -0.855 36.952 38.000 -0.321 0.000 1.067 106 I HN -0.069 nan 8.210 nan 0.000 0.413 107 N N 0.784 119.335 118.700 -0.249 0.000 2.184 107 N HA -0.209 4.531 4.740 0.000 0.000 0.190 107 N C 1.798 177.305 175.510 -0.005 0.000 1.011 107 N CA 1.167 54.152 53.050 -0.109 0.000 0.867 107 N CB -0.047 38.408 38.487 -0.052 0.000 0.993 107 N HN 0.313 nan 8.380 nan 0.000 0.433 108 L N -1.225 119.950 121.223 -0.080 0.000 2.298 108 L HA 0.153 4.493 4.340 0.000 0.000 0.209 108 L C 1.476 178.311 176.870 -0.057 0.000 1.084 108 L CA 0.432 55.234 54.840 -0.063 0.000 0.816 108 L CB 0.181 42.177 42.059 -0.105 0.000 0.967 108 L HN 0.116 nan 8.230 nan 0.000 0.460 109 A N -0.660 122.101 122.820 -0.097 0.000 2.671 109 A HA 0.571 4.891 4.320 0.000 0.000 0.265 109 A C 0.730 178.263 177.584 -0.085 0.000 1.148 109 A CA 0.014 51.996 52.037 -0.093 0.000 0.977 109 A CB 0.056 18.973 19.000 -0.140 0.000 1.242 109 A HN 0.111 nan 8.150 nan 0.000 0.591 110 A N 0.245 123.014 122.820 -0.085 0.000 2.483 110 A HA 0.539 4.859 4.320 0.000 0.000 0.238 110 A C 0.820 178.545 177.584 0.235 0.000 1.070 110 A CA 0.634 52.662 52.037 -0.015 0.000 0.770 110 A CB -0.057 18.845 19.000 -0.163 0.000 1.008 110 A HN 1.024 nan 8.150 nan 0.000 0.497 111 G N 0.340 109.441 108.800 0.502 0.000 2.667 111 G HA2 0.544 4.504 3.960 0.000 0.000 0.310 111 G HA3 0.544 4.504 3.960 0.000 0.000 0.310 111 G C -1.954 173.046 174.900 0.167 0.000 1.259 111 G CA -1.218 44.040 45.100 0.262 0.000 1.019 111 G HN 0.388 nan 8.290 nan 0.000 0.496 112 P HA -0.148 nan 4.420 nan 0.000 0.216 112 P C 1.800 179.109 177.300 0.016 0.000 1.150 112 P CA 1.245 64.378 63.100 0.055 0.000 0.843 112 P CB 0.217 31.932 31.700 0.024 0.000 0.787 113 Q N -1.330 118.416 119.800 -0.091 0.000 2.472 113 Q HA -0.154 4.186 4.340 0.000 0.000 0.208 113 Q C 0.896 176.841 176.000 -0.091 0.000 0.958 113 Q CA 1.383 57.102 55.803 -0.140 0.000 0.932 113 Q CB -0.906 27.709 28.738 -0.205 0.000 1.007 113 Q HN 0.447 nan 8.270 nan 0.000 0.508 114 H N -0.073 119.116 119.070 0.199 0.000 2.551 114 H HA 0.354 4.910 4.556 0.000 0.000 0.271 114 H C 1.701 177.193 175.328 0.274 0.000 0.984 114 H CA 0.535 56.783 56.048 0.333 0.000 1.164 114 H CB 0.414 30.247 29.762 0.118 0.000 1.437 114 H HN 0.411 nan 8.280 nan 0.000 0.550 115 A N 1.761 124.720 122.820 0.231 0.000 1.933 115 A HA -0.228 4.092 4.320 0.000 0.000 0.218 115 A C 2.348 180.006 177.584 0.123 0.000 1.175 115 A CA 1.742 53.879 52.037 0.166 0.000 0.628 115 A CB -0.286 18.785 19.000 0.119 0.000 0.814 115 A HN 0.623 nan 8.150 nan 0.000 0.444 116 E N -1.039 119.181 120.200 0.032 0.000 2.118 116 E HA -0.207 4.143 4.350 0.000 0.000 0.195 116 E C 1.581 178.133 176.600 -0.080 0.000 0.992 116 E CA 1.416 57.761 56.400 -0.093 0.000 0.804 116 E CB -0.661 28.887 29.700 -0.252 0.000 0.741 116 E HN 0.613 nan 8.360 nan 0.000 0.458 117 F N 0.411 120.419 119.950 0.096 0.000 2.293 117 F HA -0.040 4.487 4.527 0.000 0.000 0.300 117 F C 1.882 177.793 175.800 0.185 0.000 1.086 117 F CA 0.431 58.505 58.000 0.123 0.000 1.375 117 F CB -0.008 39.058 39.000 0.110 0.000 1.045 117 F HN 0.061 nan 8.300 nan 0.000 0.516 118 L N -0.564 120.850 121.223 0.318 0.000 2.509 118 L HA 0.183 4.523 4.340 0.000 0.000 0.222 118 L C 2.355 179.400 176.870 0.292 0.000 1.123 118 L CA 0.691 55.718 54.840 0.311 0.000 0.856 118 L CB -1.060 41.104 42.059 0.176 0.000 0.985 118 L HN 0.054 nan 8.230 nan 0.000 0.456 119 A N 0.793 123.717 122.820 0.174 0.000 1.903 119 A HA -0.170 4.150 4.320 0.000 0.000 0.219 119 A C -0.069 177.549 177.584 0.058 0.000 1.191 119 A CA 2.061 54.154 52.037 0.095 0.000 0.638 119 A CB -1.920 17.102 19.000 0.036 0.000 0.823 119 A HN 0.338 nan 8.150 nan 0.000 0.451 120 P HA -0.097 nan 4.420 nan 0.000 0.219 120 P C 0.719 177.873 177.300 -0.244 0.000 1.146 120 P CA 0.943 63.926 63.100 -0.194 0.000 0.808 120 P CB -0.148 31.319 31.700 -0.389 0.000 0.779 121 F N -2.067 117.931 119.950 0.080 0.000 2.743 121 F HA 0.147 4.674 4.527 0.000 0.000 0.297 121 F C 1.825 177.666 175.800 0.068 0.000 1.131 121 F CA 0.585 58.635 58.000 0.084 0.000 1.426 121 F CB -0.524 38.526 39.000 0.084 0.000 1.116 121 F HN -0.197 nan 8.300 nan 0.000 0.583 122 L N -0.686 120.652 121.223 0.192 0.000 2.640 122 L HA 0.049 4.389 4.340 0.000 0.000 0.230 122 L C 2.332 179.250 176.870 0.079 0.000 1.123 122 L CA 0.349 55.268 54.840 0.130 0.000 0.900 122 L CB -0.281 41.849 42.059 0.119 0.000 1.146 122 L HN 0.131 nan 8.230 nan 0.000 0.484 123 S N -0.183 115.550 115.700 0.055 0.000 2.423 123 S HA -0.061 4.410 4.470 0.000 0.000 0.231 123 S C 1.760 176.376 174.600 0.028 0.000 1.014 123 S CA 0.894 59.110 58.200 0.026 0.000 0.965 123 S CB -0.203 62.996 63.200 -0.003 0.000 0.785 123 S HN 0.510 nan 8.310 nan 0.000 0.495 124 G N 1.175 109.999 108.800 0.040 0.000 2.162 124 G HA2 -0.244 3.716 3.960 0.000 0.000 0.260 124 G HA3 -0.244 3.716 3.960 0.000 0.000 0.260 124 G C -0.180 174.735 174.900 0.025 0.000 0.976 124 G CA 0.510 45.631 45.100 0.035 0.000 0.655 124 G HN 0.954 nan 8.290 nan 0.000 0.533 125 E N -1.972 118.240 120.200 0.020 0.000 2.456 125 E HA 0.664 5.015 4.350 0.000 0.000 0.278 125 E C 0.723 177.333 176.600 0.018 0.000 1.034 125 E CA -0.610 55.799 56.400 0.016 0.000 0.846 125 E CB 1.168 30.871 29.700 0.004 0.000 1.460 125 E HN 1.757 nan 8.360 nan 0.000 0.463 126 G N 0.798 109.608 108.800 0.016 0.000 2.553 126 G HA2 -0.170 3.791 3.960 0.000 0.000 0.242 126 G HA3 -0.170 3.791 3.960 0.000 0.000 0.242 126 G C -0.039 174.916 174.900 0.091 0.000 1.277 126 G CA 0.131 45.244 45.100 0.022 0.000 0.910 126 G HN 1.531 nan 8.290 nan 0.000 0.576 127 S N -0.658 115.130 115.700 0.147 0.000 2.630 127 S HA 0.544 5.014 4.470 0.000 0.000 0.173 127 S C -2.639 172.223 174.600 0.436 0.000 1.048 127 S CA 0.150 58.580 58.200 0.384 0.000 1.172 127 S CB 1.934 65.281 63.200 0.246 0.000 1.638 127 S HN 0.758 nan 8.310 nan 0.000 0.429 128 P HA 0.406 nan 4.420 nan 0.000 0.271 128 P C -0.612 176.894 177.300 0.343 0.000 1.216 128 P CA -0.308 62.831 63.100 0.065 0.000 0.771 128 P CB 0.725 32.105 31.700 -0.534 0.000 0.864 129 L N 2.018 123.387 121.223 0.243 0.000 2.334 129 L HA 0.752 5.092 4.340 0.000 0.000 0.276 129 L C 0.367 177.458 176.870 0.369 0.000 1.014 129 L CA -0.792 54.182 54.840 0.224 0.000 0.815 129 L CB 1.810 43.753 42.059 -0.193 0.000 1.268 129 L HN 0.394 nan 8.230 nan 0.000 0.428 130 A N 1.919 124.905 122.820 0.276 0.000 2.384 130 A HA 0.845 5.165 4.320 0.000 0.000 0.312 130 A C -0.832 176.766 177.584 0.023 0.000 1.113 130 A CA -0.508 51.580 52.037 0.085 0.000 0.779 130 A CB 2.030 20.883 19.000 -0.245 0.000 1.307 130 A HN 0.508 nan 8.150 nan 0.000 0.436 131 S N 0.087 115.782 115.700 -0.009 0.000 2.572 131 S HA 0.499 4.969 4.470 0.000 0.000 0.274 131 S C -1.678 172.907 174.600 -0.025 0.000 1.150 131 S CA -0.471 57.731 58.200 0.003 0.000 0.944 131 S CB 1.056 64.275 63.200 0.032 0.000 1.071 131 S HN 1.274 nan 8.310 nan 0.000 0.479 132 L N 6.295 127.507 121.223 -0.018 0.000 2.295 132 L HA 0.576 4.916 4.340 0.000 0.000 0.288 132 L C -0.947 175.962 176.870 0.065 0.000 1.079 132 L CA 0.020 54.838 54.840 -0.035 0.000 0.830 132 L CB 0.709 42.707 42.059 -0.102 0.000 1.200 132 L HN 0.466 nan 8.230 nan 0.000 0.438 133 V N 7.467 127.409 119.914 0.047 0.000 2.270 133 V HA 0.180 4.300 4.120 0.000 0.000 0.263 133 V C 0.289 176.456 176.094 0.122 0.000 1.066 133 V CA 0.071 62.430 62.300 0.097 0.000 0.857 133 V CB -0.082 31.769 31.823 0.047 0.000 1.099 133 V HN 0.876 nan 8.190 nan 0.000 0.476 134 F N 2.499 122.492 119.950 0.072 0.000 2.463 134 F HA 0.315 4.842 4.527 0.000 0.000 0.271 134 F C 1.545 177.472 175.800 0.212 0.000 0.888 134 F CA 0.271 58.341 58.000 0.116 0.000 1.149 134 F CB 0.582 39.731 39.000 0.249 0.000 1.071 134 F HN 0.333 nan 8.300 nan 0.000 0.802 135 S N 1.634 117.610 115.700 0.460 0.000 2.573 135 S HA 0.224 4.694 4.470 0.000 0.000 0.277 135 S C -0.610 174.124 174.600 0.224 0.000 1.346 135 S CA -0.222 58.192 58.200 0.358 0.000 1.034 135 S CB 0.607 64.055 63.200 0.414 0.000 0.879 135 S HN 0.308 nan 8.310 nan 0.000 0.528 136 E N 1.045 121.353 120.200 0.179 0.000 2.369 136 E HA 0.260 4.610 4.350 0.000 0.000 0.270 136 E C -2.083 174.556 176.600 0.065 0.000 0.909 136 E CA -2.167 54.296 56.400 0.104 0.000 0.775 136 E CB 1.300 31.052 29.700 0.086 0.000 1.270 136 E HN 0.187 nan 8.360 nan 0.000 0.445 137 P HA -0.151 nan 4.420 nan 0.000 0.216 137 P C 1.037 178.315 177.300 -0.036 0.000 1.150 137 P CA 1.198 64.195 63.100 -0.172 0.000 0.843 137 P CB 0.119 31.579 31.700 -0.400 0.000 0.787 138 G N -1.790 107.002 108.800 -0.012 0.000 3.088 138 G HA2 0.402 4.362 3.960 0.000 0.000 0.212 138 G HA3 0.402 4.362 3.960 0.000 0.000 0.212 138 G C 0.530 175.437 174.900 0.011 0.000 1.173 138 G CA 0.312 45.413 45.100 0.001 0.000 0.779 138 G HN 0.593 nan 8.290 nan 0.000 0.540 139 G N -1.583 107.238 108.800 0.036 0.000 2.690 139 G HA2 0.139 4.099 3.960 0.000 0.000 0.686 139 G HA3 0.139 4.099 3.960 0.000 0.000 0.686 139 G C 0.210 175.107 174.900 -0.005 0.000 1.277 139 G CA 0.044 45.162 45.100 0.030 0.000 0.799 139 G HN 1.324 nan 8.290 nan 0.000 0.613 140 V N -3.103 116.817 119.914 0.009 0.000 3.440 140 V HA 0.693 4.813 4.120 0.000 0.000 0.301 140 V C 2.093 178.201 176.094 0.022 0.000 1.555 140 V CA 1.275 63.543 62.300 -0.054 0.000 1.095 140 V CB -0.120 31.700 31.823 -0.005 0.000 0.936 140 V HN 2.494 nan 8.190 nan 0.000 0.452 141 A N 1.761 124.604 122.820 0.037 0.000 2.024 141 A HA -0.108 4.212 4.320 0.000 0.000 0.220 141 A C 1.538 179.144 177.584 0.035 0.000 1.164 141 A CA 2.345 54.415 52.037 0.054 0.000 0.643 141 A CB -0.742 18.268 19.000 0.016 0.000 0.806 141 A HN 0.749 nan 8.150 nan 0.000 0.451 142 N N -0.849 117.836 118.700 -0.025 0.000 2.275 142 N HA 0.421 5.161 4.740 0.000 0.000 0.236 142 N C 1.135 176.576 175.510 -0.115 0.000 1.154 142 N CA 0.429 53.451 53.050 -0.046 0.000 0.866 142 N CB 0.491 38.952 38.487 -0.043 0.000 1.093 142 N HN 0.369 nan 8.380 nan 0.000 0.515 143 A N 0.308 122.999 122.820 -0.215 0.000 1.940 143 A HA -0.097 4.223 4.320 0.000 0.000 0.219 143 A C 1.509 178.934 177.584 -0.266 0.000 1.176 143 A CA 1.328 53.069 52.037 -0.493 0.000 0.631 143 A CB -0.169 18.132 19.000 -1.165 0.000 0.814 143 A HN 0.201 nan 8.150 nan 0.000 0.446 144 L N -0.315 120.863 121.223 -0.074 0.000 2.607 144 L HA 0.225 4.565 4.340 0.000 0.000 0.228 144 L C 0.839 177.712 176.870 0.005 0.000 1.123 144 L CA 0.197 55.049 54.840 0.020 0.000 0.890 144 L CB -0.416 41.722 42.059 0.131 0.000 1.103 144 L HN 0.473 nan 8.230 nan 0.000 0.468 145 E N 1.551 121.739 120.200 -0.021 0.000 2.324 145 E HA 0.045 4.395 4.350 0.000 0.000 0.271 145 E C -0.133 176.459 176.600 -0.015 0.000 1.028 145 E CA -0.262 56.127 56.400 -0.018 0.000 0.890 145 E CB 0.540 30.225 29.700 -0.025 0.000 1.004 145 E HN 0.114 nan 8.360 nan 0.000 0.431 146 K N 2.549 122.944 120.400 -0.008 0.000 2.448 146 K HA 0.066 4.386 4.320 0.000 0.000 0.278 146 K C 0.860 177.455 176.600 -0.008 0.000 1.009 146 K CA 0.883 57.167 56.287 -0.005 0.000 0.995 146 K CB 0.544 33.042 32.500 -0.003 0.000 0.917 146 K HN 0.902 nan 8.250 nan 0.000 0.481 147 G N 0.871 109.668 108.800 -0.006 0.000 2.234 147 G HA2 -0.320 3.640 3.960 0.000 0.000 0.260 147 G HA3 -0.320 3.640 3.960 0.000 0.000 0.260 147 G C 0.224 175.118 174.900 -0.010 0.000 0.987 147 G CA 0.218 45.314 45.100 -0.006 0.000 0.625 147 G HN 0.846 nan 8.290 nan 0.000 0.532 148 A N 0.333 123.144 122.820 -0.016 0.000 2.271 148 A HA 0.794 5.114 4.320 0.000 0.000 0.288 148 A C -0.138 177.433 177.584 -0.022 0.000 1.094 148 A CA -0.257 51.766 52.037 -0.024 0.000 0.828 148 A CB 0.488 19.465 19.000 -0.038 0.000 1.091 148 A HN 0.073 nan 8.150 nan 0.000 0.493 149 P HA 0.146 nan 4.420 nan 0.000 0.218 149 P C 0.847 178.135 177.300 -0.019 0.000 1.149 149 P CA 1.738 64.829 63.100 -0.015 0.000 0.817 149 P CB -0.126 31.565 31.700 -0.014 0.000 0.785 150 G N -1.506 107.259 108.800 -0.059 0.000 2.728 150 G HA2 -0.197 3.763 3.960 0.000 0.000 0.294 150 G HA3 -0.197 3.763 3.960 0.000 0.000 0.294 150 G C -0.640 174.200 174.900 -0.100 0.000 1.342 150 G CA -0.963 44.083 45.100 -0.090 0.000 0.866 150 G HN 0.040 nan 8.290 nan 0.000 0.534 151 F N 1.192 121.108 119.950 -0.056 0.000 2.629 151 F HA 0.187 4.714 4.527 0.000 0.000 0.377 151 F C 2.071 177.838 175.800 -0.056 0.000 1.101 151 F CA 1.297 59.243 58.000 -0.090 0.000 1.301 151 F CB 0.993 39.914 39.000 -0.132 0.000 1.062 151 F HN 0.591 nan 8.300 nan 0.000 0.583 152 Q N 1.254 121.146 119.800 0.153 0.000 2.311 152 Q HA -0.048 4.292 4.340 0.000 0.000 0.203 152 Q C 0.105 176.156 176.000 0.085 0.000 0.954 152 Q CA 0.755 56.612 55.803 0.091 0.000 0.885 152 Q CB 0.201 28.979 28.738 0.066 0.000 0.963 152 Q HN 0.655 nan 8.270 nan 0.000 0.471 153 T N 2.030 116.636 114.554 0.087 0.000 2.780 153 T HA 0.254 4.604 4.350 0.000 0.000 0.294 153 T C -0.033 174.658 174.700 -0.016 0.000 0.949 153 T CA -0.099 62.008 62.100 0.012 0.000 1.074 153 T CB 1.189 70.015 68.868 -0.070 0.000 0.910 153 T HN 0.300 nan 8.240 nan 0.000 0.501 154 T N -0.199 114.354 114.554 -0.002 0.000 2.916 154 T HA 0.845 5.195 4.350 0.000 0.000 0.292 154 T C -0.867 173.845 174.700 0.021 0.000 1.055 154 T CA -1.086 61.021 62.100 0.012 0.000 1.009 154 T CB 2.005 70.902 68.868 0.048 0.000 1.118 154 T HN 0.674 nan 8.240 nan 0.000 0.497 155 A N 1.972 124.830 122.820 0.063 0.000 2.449 155 A HA 0.877 5.197 4.320 0.000 0.000 0.302 155 A C -0.483 177.296 177.584 0.326 0.000 1.048 155 A CA -1.278 50.861 52.037 0.171 0.000 0.708 155 A CB 1.319 20.377 19.000 0.096 0.000 1.274 155 A HN 1.107 nan 8.150 nan 0.000 0.410 156 R N 2.375 123.067 120.500 0.320 0.000 2.621 156 R HA 0.611 4.951 4.340 0.000 0.000 0.284 156 R C -1.232 174.994 176.300 -0.125 0.000 0.998 156 R CA -0.845 55.357 56.100 0.169 0.000 0.895 156 R CB 1.519 31.856 30.300 0.061 0.000 1.195 156 R HN 0.521 nan 8.270 nan 0.000 0.450 157 L N 2.912 123.765 121.223 -0.616 0.000 2.385 157 L HA 0.240 4.580 4.340 0.000 0.000 0.281 157 L C -0.748 175.840 176.870 -0.469 0.000 1.106 157 L CA 0.637 54.855 54.840 -1.037 0.000 0.856 157 L CB 0.391 41.656 42.059 -1.323 0.000 1.186 157 L HN 0.844 nan 8.230 nan 0.000 0.453 158 E N 4.342 124.330 120.200 -0.354 0.000 2.255 158 E HA 0.462 4.812 4.350 0.000 0.000 0.245 158 E C 0.671 177.169 176.600 -0.170 0.000 0.909 158 E CA 0.158 56.441 56.400 -0.196 0.000 0.747 158 E CB 1.133 30.766 29.700 -0.113 0.000 1.215 158 E HN 0.944 nan 8.360 nan 0.000 0.424 159 G N 4.174 112.879 108.800 -0.159 0.000 2.889 159 G HA2 -0.376 3.584 3.960 0.000 0.000 0.308 159 G HA3 -0.376 3.584 3.960 0.000 0.000 0.308 159 G C 0.508 175.325 174.900 -0.138 0.000 1.248 159 G CA 0.544 45.573 45.100 -0.119 0.000 0.982 159 G HN 0.671 nan 8.290 nan 0.000 0.571 160 D N 1.904 122.241 120.400 -0.105 0.000 2.513 160 D HA 0.218 4.858 4.640 0.000 0.000 0.222 160 D C 0.487 176.750 176.300 -0.062 0.000 1.210 160 D CA 0.854 54.807 54.000 -0.079 0.000 0.825 160 D CB 0.043 40.824 40.800 -0.031 0.000 1.037 160 D HN 0.868 nan 8.370 nan 0.000 0.506 161 E N -0.277 119.863 120.200 -0.100 0.000 2.266 161 E HA 0.458 4.808 4.350 0.000 0.000 0.268 161 E C -1.280 175.261 176.600 -0.098 0.000 0.879 161 E CA -1.036 55.347 56.400 -0.029 0.000 0.762 161 E CB 1.069 30.781 29.700 0.021 0.000 1.199 161 E HN -0.058 nan 8.360 nan 0.000 0.422 162 W N 1.909 123.215 121.300 0.010 0.000 2.316 162 W HA 0.369 5.029 4.660 0.000 0.000 0.311 162 W C -0.604 175.916 176.519 0.001 0.000 1.217 162 W CA -0.481 56.864 57.345 -0.001 0.000 1.199 162 W CB 1.523 30.975 29.460 -0.012 0.000 1.202 162 W HN 0.262 nan 8.180 nan 0.000 0.528 163 V N 6.318 126.361 119.914 0.215 0.000 2.347 163 V HA 0.350 4.470 4.120 0.000 0.000 0.280 163 V C 0.037 176.215 176.094 0.140 0.000 1.021 163 V CA -0.945 61.438 62.300 0.139 0.000 0.847 163 V CB 0.618 32.485 31.823 0.073 0.000 0.990 163 V HN 0.329 nan 8.190 nan 0.000 0.444 164 I N 5.162 125.798 120.570 0.109 0.000 2.336 164 I HA 0.450 4.620 4.170 0.000 0.000 0.292 164 I C -0.145 176.020 176.117 0.080 0.000 0.991 164 I CA -0.199 61.139 61.300 0.062 0.000 1.227 164 I CB 1.087 39.080 38.000 -0.012 0.000 1.366 164 I HN 0.569 nan 8.210 nan 0.000 0.466 165 N N 4.898 123.636 118.700 0.064 0.000 2.352 165 N HA 0.742 5.482 4.740 0.000 0.000 0.291 165 N C -0.487 175.066 175.510 0.073 0.000 1.040 165 N CA -0.313 52.786 53.050 0.082 0.000 0.864 165 N CB 2.698 41.225 38.487 0.066 0.000 1.440 165 N HN 0.907 nan 8.380 nan 0.000 0.483 166 G N 0.924 109.793 108.800 0.114 0.000 2.321 166 G HA2 0.131 4.091 3.960 0.000 0.000 0.298 166 G HA3 0.131 4.091 3.960 0.000 0.000 0.298 166 G C -1.834 173.163 174.900 0.162 0.000 1.385 166 G CA -0.715 44.449 45.100 0.106 0.000 0.856 166 G HN 0.376 nan 8.290 nan 0.000 0.584 167 E N 0.316 120.598 120.200 0.136 0.000 2.191 167 E HA 0.594 4.944 4.350 0.000 0.000 0.274 167 E C -0.553 176.152 176.600 0.174 0.000 0.948 167 E CA -0.900 55.598 56.400 0.164 0.000 0.802 167 E CB 2.064 31.881 29.700 0.194 0.000 1.137 167 E HN 0.227 nan 8.360 nan 0.000 0.397 168 K N 1.812 122.336 120.400 0.207 0.000 2.400 168 K HA 0.623 4.943 4.320 0.000 0.000 0.246 168 K C -0.696 175.975 176.600 0.119 0.000 0.995 168 K CA -0.848 55.542 56.287 0.173 0.000 0.840 168 K CB 2.475 35.117 32.500 0.236 0.000 1.293 168 K HN 0.532 nan 8.250 nan 0.000 0.445 169 M N -0.192 119.452 119.600 0.072 0.000 2.534 169 M HA 0.207 4.687 4.480 0.000 0.000 0.280 169 M C -1.095 175.254 176.300 0.081 0.000 1.217 169 M CA -0.009 55.235 55.300 -0.094 0.000 0.893 169 M CB 1.418 33.809 32.600 -0.347 0.000 1.730 169 M HN 0.719 nan 8.290 nan 0.000 0.483 170 W N 0.623 121.942 121.300 0.032 0.000 1.628 170 W HA -0.236 4.424 4.660 0.000 0.000 0.245 170 W C 0.303 176.858 176.519 0.061 0.000 0.995 170 W CA 0.593 57.964 57.345 0.044 0.000 0.424 170 W CB -1.794 27.701 29.460 0.057 0.000 2.004 170 W HN 0.827 nan 8.180 nan 0.000 1.271 171 A N 1.744 124.708 122.820 0.239 0.000 2.545 171 A HA 0.477 4.797 4.320 0.000 0.000 0.297 171 A C 0.703 178.358 177.584 0.118 0.000 1.340 171 A CA 0.848 53.001 52.037 0.193 0.000 1.016 171 A CB -0.143 18.969 19.000 0.187 0.000 1.122 171 A HN 0.127 nan 8.150 nan 0.000 0.537 172 T N 3.102 117.725 114.554 0.115 0.000 2.908 172 T HA 0.082 4.432 4.350 0.000 0.000 0.301 172 T C 1.125 175.825 174.700 -0.000 0.000 1.019 172 T CA 1.213 63.343 62.100 0.050 0.000 1.152 172 T CB -0.258 68.665 68.868 0.091 0.000 0.966 172 T HN 0.893 nan 8.240 nan 0.000 0.540 173 N N -0.927 117.709 118.700 -0.107 0.000 2.972 173 N HA -0.269 4.471 4.740 0.000 0.000 0.225 173 N C 1.513 176.975 175.510 -0.080 0.000 0.883 173 N CA 0.850 53.818 53.050 -0.138 0.000 1.010 173 N CB -1.938 36.514 38.487 -0.058 0.000 1.052 173 N HN 0.890 nan 8.380 nan 0.000 0.598 174 C N -0.099 119.196 119.300 -0.008 0.000 2.419 174 C HA 0.315 4.775 4.460 0.000 0.000 0.283 174 C C 2.452 177.465 174.990 0.039 0.000 1.373 174 C CA 0.848 59.903 59.018 0.061 0.000 1.781 174 C CB -1.176 26.666 27.740 0.170 0.000 1.886 174 C HN 0.547 nan 8.230 nan 0.000 0.520 175 A N 0.266 123.131 122.820 0.075 0.000 2.238 175 A HA 0.538 4.858 4.320 0.000 0.000 0.210 175 A C 1.475 179.117 177.584 0.095 0.000 1.179 175 A CA 1.246 53.392 52.037 0.183 0.000 0.827 175 A CB -1.059 18.151 19.000 0.350 0.000 0.856 175 A HN 2.011 nan 8.150 nan 0.000 0.488 176 G N -1.974 106.823 108.800 -0.004 0.000 2.855 176 G HA2 -0.297 3.663 3.960 0.000 0.000 0.352 176 G HA3 -0.297 3.663 3.960 0.000 0.000 0.352 176 G C 0.323 175.263 174.900 0.066 0.000 1.415 176 G CA -0.004 45.052 45.100 -0.074 0.000 0.871 176 G HN 0.496 nan 8.290 nan 0.000 0.543 177 W N -0.192 121.143 121.300 0.058 0.000 2.363 177 W HA 0.068 4.728 4.660 0.000 0.000 0.296 177 W C 2.370 178.661 176.519 -0.380 0.000 1.212 177 W CA 1.257 58.507 57.345 -0.157 0.000 1.260 177 W CB -0.001 29.298 29.460 -0.269 0.000 1.131 177 W HN 0.726 nan 8.180 nan 0.000 0.530 178 D N -1.550 118.802 120.400 -0.081 0.000 2.368 178 D HA -0.059 4.581 4.640 0.000 0.000 0.218 178 D C 0.398 176.607 176.300 -0.151 0.000 1.112 178 D CA -0.288 53.565 54.000 -0.246 0.000 0.834 178 D CB -0.986 39.779 40.800 -0.058 0.000 0.953 178 D HN 0.102 nan 8.370 nan 0.000 0.505 179 F N -0.027 120.054 119.950 0.219 0.000 2.953 179 F HA -0.231 4.296 4.527 0.000 0.000 0.292 179 F C 0.845 176.798 175.800 0.255 0.000 0.747 179 F CA 0.259 58.398 58.000 0.233 0.000 1.222 179 F CB -2.435 36.718 39.000 0.254 0.000 1.457 179 F HN 0.187 nan 8.300 nan 0.000 0.383 180 K N 0.208 120.770 120.400 0.269 0.000 2.414 180 K HA 0.556 4.876 4.320 0.000 0.000 0.204 180 K C 0.845 177.346 176.600 -0.165 0.000 1.026 180 K CA 0.463 56.875 56.287 0.208 0.000 1.108 180 K CB 0.911 33.494 32.500 0.137 0.000 0.855 180 K HN 0.423 nan 8.250 nan 0.000 0.517 181 G N 1.634 110.185 108.800 -0.416 0.000 3.101 181 G HA2 -0.115 3.845 3.960 0.000 0.000 0.672 181 G HA3 -0.115 3.845 3.960 0.000 0.000 0.672 181 G C -0.130 174.596 174.900 -0.289 0.000 1.331 181 G CA -0.975 43.682 45.100 -0.738 0.000 0.925 181 G HN 0.233 nan 8.290 nan 0.000 0.596 182 C N 1.414 120.578 119.300 -0.227 0.000 2.580 182 C HA 0.723 5.183 4.460 0.000 0.000 0.371 182 C C 1.665 176.643 174.990 -0.019 0.000 1.308 182 C CA 0.332 59.296 59.018 -0.090 0.000 2.428 182 C CB 0.602 28.308 27.740 -0.058 0.000 2.529 182 C HN 0.791 nan 8.230 nan 0.000 0.657 183 D N 0.165 120.595 120.400 0.050 0.000 2.116 183 D HA -0.046 4.594 4.640 0.000 0.000 0.193 183 D C 0.321 176.725 176.300 0.174 0.000 0.998 183 D CA 1.476 55.534 54.000 0.098 0.000 0.836 183 D CB -0.064 40.782 40.800 0.076 0.000 0.951 183 D HN 0.562 nan 8.370 nan 0.000 0.449 184 L N -0.048 121.320 121.223 0.242 0.000 2.446 184 L HA 0.590 4.930 4.340 0.000 0.000 0.268 184 L C -1.672 175.238 176.870 0.067 0.000 0.975 184 L CA -0.684 54.276 54.840 0.199 0.000 0.848 184 L CB 1.630 43.882 42.059 0.321 0.000 1.225 184 L HN -0.055 nan 8.230 nan 0.000 0.410 185 A N 3.684 126.511 122.820 0.012 0.000 2.318 185 A HA 0.535 4.855 4.320 0.000 0.000 0.317 185 A C -0.611 176.907 177.584 -0.109 0.000 1.159 185 A CA -0.377 51.643 52.037 -0.028 0.000 0.799 185 A CB 0.946 19.960 19.000 0.022 0.000 1.194 185 A HN 0.741 nan 8.150 nan 0.000 0.479 186 C N 3.286 122.502 119.300 -0.140 0.000 2.289 186 C HA 0.405 4.865 4.460 0.000 0.000 0.340 186 C C 0.555 175.430 174.990 -0.193 0.000 1.152 186 C CA -0.501 58.395 59.018 -0.202 0.000 1.650 186 C CB -1.089 26.518 27.740 -0.223 0.000 2.203 186 C HN 0.561 nan 8.230 nan 0.000 0.511 187 V N 5.728 125.496 119.914 -0.243 0.000 2.385 187 V HA 0.203 4.323 4.120 0.000 0.000 0.269 187 V C 0.311 176.210 176.094 -0.324 0.000 1.043 187 V CA -0.064 62.064 62.300 -0.286 0.000 0.906 187 V CB 1.083 32.676 31.823 -0.384 0.000 0.995 187 V HN 0.660 nan 8.190 nan 0.000 0.467 188 V N 5.750 125.463 119.914 -0.335 0.000 2.498 188 V HA 0.568 4.688 4.120 0.000 0.000 0.279 188 V C 0.282 175.924 176.094 -0.753 0.000 1.048 188 V CA -0.146 61.866 62.300 -0.480 0.000 0.967 188 V CB 0.852 32.443 31.823 -0.386 0.000 0.988 188 V HN 1.181 nan 8.190 nan 0.000 0.473 189 C N 3.459 122.323 119.300 -0.727 0.000 3.284 189 C HA 0.750 5.210 4.460 0.000 0.000 0.348 189 C C -0.685 174.077 174.990 -0.381 0.000 1.448 189 C CA -1.279 57.362 59.018 -0.628 0.000 1.223 189 C CB 1.916 29.435 27.740 -0.369 0.000 1.588 189 C HN 0.936 nan 8.230 nan 0.000 0.451 190 R N 1.022 121.427 120.500 -0.159 0.000 2.310 190 R HA 0.443 4.783 4.340 0.000 0.000 0.324 190 R C -0.731 175.573 176.300 0.007 0.000 0.955 190 R CA -0.015 56.080 56.100 -0.009 0.000 0.830 190 R CB 0.706 31.078 30.300 0.121 0.000 1.154 190 R HN 0.873 nan 8.270 nan 0.000 0.458 191 D N 3.665 124.070 120.400 0.008 0.000 2.520 191 D HA -0.033 4.607 4.640 0.000 0.000 0.243 191 D C -0.083 176.284 176.300 0.112 0.000 1.160 191 D CA 0.585 54.640 54.000 0.093 0.000 0.877 191 D CB 1.203 42.064 40.800 0.102 0.000 1.150 191 D HN 0.642 nan 8.370 nan 0.000 0.494 192 A N 3.069 125.971 122.820 0.136 0.000 2.571 192 A HA 0.129 4.449 4.320 0.000 0.000 0.274 192 A C 1.801 179.435 177.584 0.084 0.000 1.196 192 A CA -0.154 51.939 52.037 0.094 0.000 0.957 192 A CB 0.093 19.138 19.000 0.075 0.000 1.150 192 A HN 0.563 nan 8.150 nan 0.000 0.539 193 T N 1.037 115.656 114.554 0.110 0.000 2.720 193 T HA -0.070 4.280 4.350 0.000 0.000 0.268 193 T C 1.206 175.923 174.700 0.029 0.000 1.037 193 T CA 1.979 64.106 62.100 0.045 0.000 1.144 193 T CB -0.373 68.507 68.868 0.020 0.000 0.864 193 T HN 0.756 nan 8.240 nan 0.000 0.444 194 T N -0.226 114.356 114.554 0.048 0.000 2.887 194 T HA 0.589 4.939 4.350 0.000 0.000 0.288 194 T C -3.245 171.479 174.700 0.040 0.000 1.021 194 T CA -2.359 59.761 62.100 0.034 0.000 1.000 194 T CB 2.102 70.989 68.868 0.031 0.000 1.034 194 T HN -0.192 nan 8.240 nan 0.000 0.467 195 P HA 0.263 nan 4.420 nan 0.000 0.271 195 P C -0.292 177.027 177.300 0.032 0.000 1.218 195 P CA -0.811 62.307 63.100 0.031 0.000 0.780 195 P CB 0.267 31.980 31.700 0.023 0.000 0.901 196 L N 2.511 123.755 121.223 0.034 0.000 2.540 196 L HA 0.021 4.361 4.340 0.000 0.000 0.276 196 L C 0.309 177.194 176.870 0.024 0.000 1.212 196 L CA 0.696 55.555 54.840 0.032 0.000 0.893 196 L CB -0.459 41.619 42.059 0.032 0.000 1.138 196 L HN 0.359 nan 8.230 nan 0.000 0.491 197 E N 2.486 122.700 120.200 0.023 0.000 2.349 197 E HA 0.138 4.488 4.350 0.000 0.000 0.262 197 E C -0.500 176.109 176.600 0.015 0.000 1.088 197 E CA -0.660 55.751 56.400 0.018 0.000 0.899 197 E CB 0.583 30.293 29.700 0.017 0.000 1.044 197 E HN 0.565 nan 8.360 nan 0.000 0.420 198 E N 0.651 120.858 120.200 0.012 0.000 2.614 198 E HA -0.021 4.329 4.350 0.000 0.000 0.245 198 E C 0.610 177.215 176.600 0.009 0.000 1.039 198 E CA 1.289 57.695 56.400 0.010 0.000 0.948 198 E CB -0.499 29.206 29.700 0.008 0.000 0.937 198 E HN 0.687 nan 8.360 nan 0.000 0.498 199 G N 3.420 112.225 108.800 0.009 0.000 2.162 199 G HA2 -0.382 3.578 3.960 0.000 0.000 0.260 199 G HA3 -0.382 3.578 3.960 0.000 0.000 0.260 199 G C 0.235 175.141 174.900 0.010 0.000 0.976 199 G CA 0.397 45.501 45.100 0.008 0.000 0.655 199 G HN 0.668 nan 8.290 nan 0.000 0.533 200 Q N 0.462 120.270 119.800 0.014 0.000 2.373 200 Q HA 0.337 4.677 4.340 0.000 0.000 0.255 200 Q C -0.351 175.661 176.000 0.020 0.000 0.980 200 Q CA -0.491 55.323 55.803 0.017 0.000 0.882 200 Q CB 0.491 29.241 28.738 0.021 0.000 1.249 200 Q HN 0.201 nan 8.270 nan 0.000 0.438 201 D N 4.107 124.520 120.400 0.022 0.000 2.346 201 D HA 0.063 4.703 4.640 0.000 0.000 0.260 201 D C -1.855 174.467 176.300 0.037 0.000 1.252 201 D CA -1.863 52.153 54.000 0.026 0.000 0.895 201 D CB 1.311 42.127 40.800 0.026 0.000 1.097 201 D HN 0.367 nan 8.370 nan 0.000 0.489 202 P HA -0.158 nan 4.420 nan 0.000 0.218 202 P C 1.026 178.371 177.300 0.076 0.000 1.146 202 P CA 0.852 63.983 63.100 0.052 0.000 0.813 202 P CB 0.194 31.918 31.700 0.039 0.000 0.778 203 E N -0.377 119.872 120.200 0.082 0.000 2.267 203 E HA -0.220 4.130 4.350 0.000 0.000 0.197 203 E C 1.362 178.009 176.600 0.079 0.000 0.998 203 E CA 0.796 57.260 56.400 0.107 0.000 0.830 203 E CB -0.394 29.373 29.700 0.110 0.000 0.751 203 E HN 0.132 nan 8.360 nan 0.000 0.491 204 N N 0.415 119.151 118.700 0.059 0.000 2.453 204 N HA -0.096 4.644 4.740 0.000 0.000 0.183 204 N C 0.855 176.390 175.510 0.041 0.000 1.041 204 N CA 0.829 53.906 53.050 0.045 0.000 0.900 204 N CB 0.165 38.675 38.487 0.039 0.000 0.961 204 N HN 0.163 nan 8.380 nan 0.000 0.443 205 K N -0.065 120.366 120.400 0.051 0.000 2.353 205 K HA 0.215 4.535 4.320 0.000 0.000 0.195 205 K C 0.082 176.692 176.600 0.017 0.000 1.031 205 K CA -0.051 56.262 56.287 0.043 0.000 1.079 205 K CB 0.625 33.161 32.500 0.060 0.000 0.857 205 K HN -0.069 nan 8.250 nan 0.000 0.535 206 V N 3.305 123.236 119.914 0.028 0.000 2.555 206 V HA 0.171 4.291 4.120 0.000 0.000 0.286 206 V C 0.377 176.406 176.094 -0.109 0.000 1.044 206 V CA 0.233 62.523 62.300 -0.016 0.000 1.026 206 V CB 0.462 32.326 31.823 0.069 0.000 0.981 206 V HN 0.130 nan 8.190 nan 0.000 0.480 207 M N 5.507 124.983 119.600 -0.208 0.000 2.690 207 M HA 0.650 5.130 4.480 0.000 0.000 0.302 207 M C -1.058 175.056 176.300 -0.311 0.000 1.234 207 M CA -0.584 54.553 55.300 -0.271 0.000 0.853 207 M CB 2.660 35.036 32.600 -0.374 0.000 1.748 207 M HN 0.324 nan 8.290 nan 0.000 0.469 208 I N 2.343 122.727 120.570 -0.310 0.000 2.410 208 I HA 0.495 4.665 4.170 0.000 0.000 0.286 208 I C -1.095 174.811 176.117 -0.352 0.000 1.009 208 I CA -0.457 60.650 61.300 -0.322 0.000 1.111 208 I CB 1.452 39.277 38.000 -0.291 0.000 1.262 208 I HN 0.551 nan 8.210 nan 0.000 0.443 209 I N 6.427 126.784 120.570 -0.355 0.000 2.433 209 I HA 0.383 4.553 4.170 0.000 0.000 0.292 209 I C -0.166 175.768 176.117 -0.305 0.000 1.001 209 I CA -0.711 60.383 61.300 -0.344 0.000 1.119 209 I CB 1.849 39.644 38.000 -0.342 0.000 1.289 209 I HN 0.318 nan 8.210 nan 0.000 0.438 210 L N 6.261 127.288 121.223 -0.327 0.000 2.397 210 L HA 0.454 4.794 4.340 0.000 0.000 0.271 210 L C -0.552 176.212 176.870 -0.177 0.000 1.148 210 L CA -0.582 54.061 54.840 -0.328 0.000 0.825 210 L CB 0.974 42.662 42.059 -0.618 0.000 1.117 210 L HN 0.290 nan 8.230 nan 0.000 0.456 211 V N 1.070 120.925 119.914 -0.099 0.000 2.524 211 V HA 0.309 4.429 4.120 0.000 0.000 0.297 211 V C 0.159 176.290 176.094 0.062 0.000 1.035 211 V CA -0.657 61.647 62.300 0.006 0.000 0.867 211 V CB 1.984 33.812 31.823 0.008 0.000 1.004 211 V HN 0.925 nan 8.190 nan 0.000 0.426 212 T N 1.368 115.997 114.554 0.125 0.000 2.927 212 T HA 0.464 4.814 4.350 0.000 0.000 0.281 212 T C 0.992 175.735 174.700 0.071 0.000 0.998 212 T CA -0.536 61.645 62.100 0.136 0.000 1.019 212 T CB 1.906 70.897 68.868 0.204 0.000 1.061 212 T HN 0.458 nan 8.240 nan 0.000 0.518 213 R N 1.307 121.832 120.500 0.041 0.000 2.103 213 R HA -0.047 4.293 4.340 0.000 0.000 0.242 213 R C 2.422 178.735 176.300 0.021 0.000 1.142 213 R CA 2.226 58.325 56.100 -0.002 0.000 0.960 213 R CB -1.508 28.787 30.300 -0.007 0.000 0.858 213 R HN 0.853 nan 8.270 nan 0.000 0.439 214 A N 0.926 123.771 122.820 0.041 0.000 1.873 214 A HA -0.235 4.085 4.320 0.000 0.000 0.218 214 A C 1.911 179.528 177.584 0.055 0.000 1.193 214 A CA 2.093 54.155 52.037 0.042 0.000 0.629 214 A CB -0.937 18.087 19.000 0.040 0.000 0.826 214 A HN 0.499 nan 8.150 nan 0.000 0.447 215 D N -0.090 120.358 120.400 0.080 0.000 2.133 215 D HA -0.169 4.471 4.640 0.000 0.000 0.195 215 D C 1.982 178.331 176.300 0.081 0.000 0.997 215 D CA 1.459 55.513 54.000 0.090 0.000 0.840 215 D CB -0.330 40.539 40.800 0.115 0.000 0.947 215 D HN 0.483 nan 8.370 nan 0.000 0.452 216 L N 0.802 122.067 121.223 0.069 0.000 2.056 216 L HA -0.165 4.175 4.340 0.000 0.000 0.207 216 L C 2.139 179.045 176.870 0.060 0.000 1.078 216 L CA 0.930 55.811 54.840 0.070 0.000 0.749 216 L CB -0.306 41.764 42.059 0.018 0.000 0.901 216 L HN -0.108 nan 8.230 nan 0.000 0.433 217 D N -0.084 120.341 120.400 0.042 0.000 2.097 217 D HA -0.208 4.432 4.640 0.000 0.000 0.195 217 D C 2.202 178.527 176.300 0.041 0.000 0.989 217 D CA 1.063 55.086 54.000 0.038 0.000 0.827 217 D CB -0.193 40.623 40.800 0.027 0.000 0.966 217 D HN 0.151 nan 8.370 nan 0.000 0.456 218 R N 0.641 121.168 120.500 0.044 0.000 2.159 218 R HA -0.075 4.265 4.340 0.000 0.000 0.237 218 R C 1.511 177.840 176.300 0.047 0.000 1.131 218 R CA 0.969 57.095 56.100 0.042 0.000 0.982 218 R CB 0.015 30.343 30.300 0.045 0.000 0.868 218 R HN 0.137 nan 8.270 nan 0.000 0.453 219 N N -0.273 118.462 118.700 0.059 0.000 2.446 219 N HA 0.004 4.744 4.740 0.000 0.000 0.179 219 N C 0.788 176.332 175.510 0.057 0.000 1.054 219 N CA 0.986 54.075 53.050 0.064 0.000 0.905 219 N CB 0.803 39.341 38.487 0.085 0.000 0.973 219 N HN 0.420 nan 8.380 nan 0.000 0.448 220 G N 1.292 110.124 108.800 0.053 0.000 2.482 220 G HA2 -0.246 3.714 3.960 0.000 0.000 0.214 220 G HA3 -0.246 3.714 3.960 0.000 0.000 0.214 220 G C -0.672 174.257 174.900 0.048 0.000 1.271 220 G CA -0.577 44.550 45.100 0.045 0.000 0.944 220 G HN 0.267 nan 8.290 nan 0.000 0.568 221 E N 1.318 121.541 120.200 0.038 0.000 2.324 221 E HA 0.415 4.765 4.350 0.000 0.000 0.271 221 E C 1.308 177.928 176.600 0.033 0.000 1.028 221 E CA 1.060 57.480 56.400 0.035 0.000 0.890 221 E CB -0.068 29.646 29.700 0.024 0.000 1.004 221 E HN 2.263 nan 8.360 nan 0.000 0.431 222 G N 3.263 112.084 108.800 0.035 0.000 2.179 222 G HA2 -0.358 3.602 3.960 0.000 0.000 0.257 222 G HA3 -0.358 3.602 3.960 0.000 0.000 0.257 222 G C 0.824 175.739 174.900 0.024 0.000 1.010 222 G CA 0.837 45.946 45.100 0.015 0.000 0.736 222 G HN 0.662 nan 8.290 nan 0.000 0.513 223 S N -1.577 114.163 115.700 0.066 0.000 2.461 223 S HA 0.382 4.852 4.470 0.000 0.000 0.228 223 S C 0.620 175.292 174.600 0.121 0.000 1.005 223 S CA 0.880 59.136 58.200 0.094 0.000 0.942 223 S CB 0.211 63.481 63.200 0.117 0.000 0.776 223 S HN 1.185 nan 8.310 nan 0.000 0.514 224 F N 1.310 121.213 119.950 -0.078 0.000 2.556 224 F HA 0.677 5.204 4.527 0.000 0.000 0.314 224 F C -0.780 174.923 175.800 -0.162 0.000 1.106 224 F CA -0.815 57.069 58.000 -0.193 0.000 0.911 224 F CB 1.799 40.682 39.000 -0.196 0.000 1.190 224 F HN 0.122 nan 8.300 nan 0.000 0.448 225 E N 4.958 124.599 120.200 -0.932 0.000 2.304 225 E HA 0.410 4.760 4.350 0.000 0.000 0.277 225 E C -1.897 174.201 176.600 -0.836 0.000 0.898 225 E CA -0.794 55.221 56.400 -0.643 0.000 0.764 225 E CB 2.271 31.754 29.700 -0.361 0.000 1.216 225 E HN 0.492 nan 8.360 nan 0.000 0.419 226 V N 6.579 126.147 119.914 -0.577 0.000 2.439 226 V HA 0.062 4.182 4.120 0.000 0.000 0.271 226 V C 1.286 177.103 176.094 -0.461 0.000 1.040 226 V CA 0.237 62.214 62.300 -0.538 0.000 1.002 226 V CB 0.672 32.199 31.823 -0.493 0.000 1.000 226 V HN 0.775 nan 8.190 nan 0.000 0.477 227 L N 4.038 124.952 121.223 -0.514 0.000 2.209 227 L HA 0.269 4.609 4.340 0.000 0.000 0.207 227 L C 1.180 177.831 176.870 -0.365 0.000 1.094 227 L CA 0.774 55.332 54.840 -0.470 0.000 0.790 227 L CB -0.016 41.618 42.059 -0.709 0.000 0.932 227 L HN 0.587 nan 8.230 nan 0.000 0.447 228 R N -0.570 119.705 120.500 -0.376 0.000 2.563 228 R HA 0.247 4.587 4.340 0.000 0.000 0.262 228 R C -1.181 174.908 176.300 -0.351 0.000 1.128 228 R CA -0.614 55.328 56.100 -0.263 0.000 0.969 228 R CB 1.160 31.385 30.300 -0.125 0.000 1.251 228 R HN 0.031 nan 8.270 nan 0.000 0.442 229 H N 2.817 121.756 119.070 -0.219 0.000 2.646 229 H HA 0.204 4.760 4.556 0.000 0.000 0.325 229 H C -0.232 174.982 175.328 -0.190 0.000 1.075 229 H CA -0.099 55.806 56.048 -0.239 0.000 1.421 229 H CB 1.621 31.226 29.762 -0.262 0.000 1.461 229 H HN 0.163 nan 8.280 nan 0.000 0.525 230 V N 2.913 122.754 119.914 -0.122 0.000 2.407 230 V HA 0.314 4.435 4.120 0.000 0.000 0.278 230 V C 0.575 176.648 176.094 -0.035 0.000 1.037 230 V CA -0.782 61.434 62.300 -0.141 0.000 0.900 230 V CB 1.072 32.674 31.823 -0.368 0.000 0.983 230 V HN 0.847 nan 8.190 nan 0.000 0.459 231 A N 4.287 127.110 122.820 0.005 0.000 2.309 231 A HA 0.794 5.114 4.320 0.000 0.000 0.298 231 A C 0.400 178.033 177.584 0.082 0.000 1.165 231 A CA -0.236 51.824 52.037 0.039 0.000 0.821 231 A CB 0.622 19.641 19.000 0.032 0.000 1.102 231 A HN 0.953 nan 8.150 nan 0.000 0.500 232 T N -0.154 114.459 114.554 0.100 0.000 2.916 232 T HA 0.703 5.053 4.350 0.000 0.000 0.292 232 T C -2.114 172.643 174.700 0.096 0.000 1.055 232 T CA -1.350 60.831 62.100 0.135 0.000 1.009 232 T CB 1.784 70.770 68.868 0.197 0.000 1.118 232 T HN 0.365 nan 8.240 nan 0.000 0.497 233 P HA 0.246 nan 4.420 nan 0.000 0.227 233 P C 0.675 177.998 177.300 0.037 0.000 1.161 233 P CA 0.370 63.501 63.100 0.053 0.000 0.788 233 P CB 0.034 31.760 31.700 0.043 0.000 0.822 234 G N -1.851 106.980 108.800 0.053 0.000 2.798 234 G HA2 0.420 4.380 3.960 0.000 0.000 0.286 234 G HA3 0.420 4.380 3.960 0.000 0.000 0.286 234 G C -1.263 173.672 174.900 0.059 0.000 1.389 234 G CA -0.705 44.386 45.100 -0.015 0.000 0.894 234 G HN 0.106 nan 8.290 nan 0.000 0.488 235 H N -1.099 117.977 119.070 0.010 0.000 2.692 235 H HA -0.234 4.322 4.556 0.000 0.000 0.316 235 H C 1.818 177.136 175.328 -0.017 0.000 1.176 235 H CA 1.066 57.121 56.048 0.011 0.000 1.142 235 H CB -1.418 28.381 29.762 0.061 0.000 1.475 235 H HN 0.684 nan 8.280 nan 0.000 0.423 236 T N -4.329 110.214 114.554 -0.019 0.000 3.055 236 T HA -0.091 4.259 4.350 0.000 0.000 0.265 236 T C 1.922 176.539 174.700 -0.139 0.000 1.111 236 T CA 0.775 62.846 62.100 -0.049 0.000 1.118 236 T CB 0.123 68.973 68.868 -0.030 0.000 0.909 236 T HN 0.531 nan 8.240 nan 0.000 0.501 237 S N 0.143 115.668 115.700 -0.291 0.000 2.597 237 S HA 0.375 4.845 4.470 0.000 0.000 0.224 237 S C 0.226 174.889 174.600 0.105 0.000 0.955 237 S CA -0.690 57.374 58.200 -0.226 0.000 0.933 237 S CB -0.222 62.596 63.200 -0.636 0.000 0.788 237 S HN 0.283 nan 8.310 nan 0.000 0.488 238 V N 2.059 122.023 119.914 0.082 0.000 2.472 238 V HA 0.620 4.740 4.120 0.000 0.000 0.290 238 V C 0.024 176.082 176.094 -0.061 0.000 1.037 238 V CA -0.536 61.814 62.300 0.084 0.000 0.908 238 V CB 1.542 33.453 31.823 0.146 0.000 0.985 238 V HN 0.425 nan 8.190 nan 0.000 0.454 239 S N 3.329 118.829 115.700 -0.333 0.000 2.669 239 S HA 0.673 5.143 4.470 0.000 0.000 0.315 239 S C 0.148 174.570 174.600 -0.298 0.000 1.106 239 S CA -0.042 57.879 58.200 -0.465 0.000 1.107 239 S CB 0.721 63.223 63.200 -1.164 0.000 0.990 239 S HN 1.069 nan 8.310 nan 0.000 0.471 240 G N 5.626 114.344 108.800 -0.137 0.000 4.740 240 G HA2 0.402 4.362 3.960 0.000 0.000 0.290 240 G HA3 0.402 4.362 3.960 0.000 0.000 0.290 240 G C -2.909 171.896 174.900 -0.159 0.000 1.333 240 G CA -1.136 43.925 45.100 -0.065 0.000 0.923 240 G HN 0.559 nan 8.290 nan 0.000 0.559 241 P HA 0.012 nan 4.420 nan 0.000 0.272 241 P C -0.349 176.807 177.300 -0.241 0.000 1.240 241 P CA -0.127 62.791 63.100 -0.304 0.000 0.791 241 P CB 0.804 32.238 31.700 -0.443 0.000 0.978 242 H N 0.202 119.033 119.070 -0.398 0.000 2.955 242 H HA 0.318 4.874 4.556 0.000 0.000 0.290 242 H C -0.069 175.064 175.328 -0.325 0.000 1.047 242 H CA -0.663 55.191 56.048 -0.324 0.000 1.484 242 H CB 0.236 29.817 29.762 -0.302 0.000 1.501 242 H HN 0.191 nan 8.280 nan 0.000 0.521 243 V N 2.733 122.585 119.914 -0.105 0.000 3.141 243 V HA 0.616 4.736 4.120 0.000 0.000 0.312 243 V C -0.769 175.126 176.094 -0.331 0.000 1.157 243 V CA -1.288 60.769 62.300 -0.405 0.000 1.041 243 V CB 2.178 33.706 31.823 -0.492 0.000 1.071 243 V HN 0.809 nan 8.190 nan 0.000 0.441 244 R N 0.929 121.108 120.500 -0.535 0.000 2.575 244 R HA 0.561 4.901 4.340 0.000 0.000 0.293 244 R C -2.128 173.956 176.300 -0.359 0.000 0.983 244 R CA -0.589 55.333 56.100 -0.296 0.000 0.887 244 R CB 1.906 32.062 30.300 -0.240 0.000 1.184 244 R HN 0.857 nan 8.270 nan 0.000 0.445 245 Y N 1.823 122.101 120.300 -0.037 0.000 2.341 245 Y HA 0.302 4.852 4.550 0.000 0.000 0.340 245 Y C 0.082 175.995 175.900 0.022 0.000 0.997 245 Y CA -0.281 57.848 58.100 0.049 0.000 1.149 245 Y CB 2.312 40.829 38.460 0.094 0.000 1.171 245 Y HN 0.386 nan 8.280 nan 0.000 0.494 246 T N 3.557 118.193 114.554 0.137 0.000 2.791 246 T HA 0.203 4.553 4.350 0.000 0.000 0.288 246 T C -0.145 174.614 174.700 0.099 0.000 0.999 246 T CA -1.151 61.000 62.100 0.086 0.000 0.952 246 T CB 0.110 68.995 68.868 0.028 0.000 0.938 246 T HN 0.700 nan 8.240 nan 0.000 0.444 247 N N 1.022 119.777 118.700 0.091 0.000 2.698 247 N HA -0.137 4.603 4.740 0.000 0.000 0.258 247 N C -0.374 175.196 175.510 0.100 0.000 0.978 247 N CA -0.032 53.067 53.050 0.083 0.000 0.777 247 N CB -0.694 37.828 38.487 0.058 0.000 0.907 247 N HN 0.352 nan 8.380 nan 0.000 0.543 248 V N 1.419 121.413 119.914 0.133 0.000 2.387 248 V HA 0.087 4.207 4.120 0.000 0.000 0.260 248 V C 0.829 176.995 176.094 0.119 0.000 1.054 248 V CA 0.071 62.457 62.300 0.145 0.000 0.967 248 V CB 0.384 32.333 31.823 0.209 0.000 1.036 248 V HN 0.236 nan 8.190 nan 0.000 0.481 249 R N 4.507 125.070 120.500 0.105 0.000 2.265 249 R HA 0.714 5.054 4.340 0.000 0.000 0.319 249 R C -0.630 175.738 176.300 0.113 0.000 1.006 249 R CA -0.552 55.609 56.100 0.102 0.000 0.880 249 R CB 1.590 31.934 30.300 0.073 0.000 1.077 249 R HN 0.572 nan 8.270 nan 0.000 0.454 250 V N -0.135 119.865 119.914 0.142 0.000 2.962 250 V HA 0.629 4.749 4.120 0.000 0.000 0.313 250 V C -2.721 173.480 176.094 0.179 0.000 1.099 250 V CA -3.243 59.147 62.300 0.150 0.000 0.971 250 V CB 2.117 34.024 31.823 0.140 0.000 1.028 250 V HN 0.520 nan 8.190 nan 0.000 0.430 251 P HA 0.223 nan 4.420 nan 0.000 0.272 251 P C 1.172 178.608 177.300 0.226 0.000 1.230 251 P CA 0.396 63.593 63.100 0.161 0.000 0.788 251 P CB 0.464 32.245 31.700 0.136 0.000 0.949 252 T N -1.442 113.246 114.554 0.223 0.000 2.977 252 T HA -0.190 4.160 4.350 0.000 0.000 0.271 252 T C 1.208 176.028 174.700 0.200 0.000 1.105 252 T CA 1.106 63.379 62.100 0.287 0.000 1.116 252 T CB -0.781 68.222 68.868 0.225 0.000 0.878 252 T HN 0.527 nan 8.240 nan 0.000 0.509 253 K N 1.105 121.610 120.400 0.175 0.000 2.439 253 K HA 0.061 4.381 4.320 0.000 0.000 0.197 253 K C 1.867 178.616 176.600 0.249 0.000 1.041 253 K CA 0.861 57.251 56.287 0.172 0.000 0.970 253 K CB -0.306 32.297 32.500 0.172 0.000 0.773 253 K HN 0.348 nan 8.250 nan 0.000 0.479 254 N N 1.172 119.988 118.700 0.194 0.000 2.446 254 N HA -0.015 4.725 4.740 0.000 0.000 0.179 254 N C -0.334 175.105 175.510 -0.117 0.000 1.054 254 N CA 0.232 53.297 53.050 0.024 0.000 0.905 254 N CB 0.319 38.837 38.487 0.052 0.000 0.973 254 N HN -0.016 nan 8.380 nan 0.000 0.448 255 V N 2.808 122.682 119.914 -0.067 0.000 2.450 255 V HA -0.071 4.049 4.120 0.000 0.000 0.281 255 V C 1.275 177.310 176.094 -0.100 0.000 1.019 255 V CA 0.197 62.383 62.300 -0.191 0.000 1.062 255 V CB 1.030 32.709 31.823 -0.240 0.000 0.979 255 V HN 0.180 nan 8.190 nan 0.000 0.477 256 L N 6.165 127.216 121.223 -0.287 0.000 2.145 256 L HA 0.251 4.591 4.340 0.000 0.000 0.201 256 L C 0.846 177.563 176.870 -0.256 0.000 1.075 256 L CA 1.554 56.145 54.840 -0.415 0.000 0.773 256 L CB 0.323 42.078 42.059 -0.507 0.000 0.936 256 L HN 0.660 nan 8.230 nan 0.000 0.451 257 C N 1.273 120.426 119.300 -0.246 0.000 2.340 257 C HA 0.561 5.021 4.460 0.000 0.000 0.323 257 C C -2.382 172.487 174.990 -0.201 0.000 1.260 257 C CA -1.505 57.400 59.018 -0.187 0.000 1.464 257 C CB 1.042 28.673 27.740 -0.181 0.000 2.156 257 C HN 0.239 nan 8.230 nan 0.000 0.476 258 P HA 0.250 nan 4.420 nan 0.000 0.274 258 P C -0.241 176.989 177.300 -0.117 0.000 1.237 258 P CA 0.043 63.059 63.100 -0.140 0.000 0.793 258 P CB 0.492 32.163 31.700 -0.047 0.000 0.977 259 A N 2.064 124.818 122.820 -0.110 0.000 2.592 259 A HA 0.300 4.620 4.320 0.000 0.000 0.250 259 A C 1.509 179.081 177.584 -0.021 0.000 1.017 259 A CA 1.134 53.137 52.037 -0.057 0.000 0.794 259 A CB -1.855 17.150 19.000 0.008 0.000 0.917 259 A HN 0.913 nan 8.150 nan 0.000 0.515 260 G N 1.591 110.381 108.800 -0.017 0.000 2.179 260 G HA2 -0.231 3.729 3.960 0.000 0.000 0.220 260 G HA3 -0.231 3.729 3.960 0.000 0.000 0.220 260 G C 0.551 175.451 174.900 -0.000 0.000 0.990 260 G CA 0.634 45.738 45.100 0.007 0.000 0.646 260 G HN 0.807 nan 8.290 nan 0.000 0.517 261 Q N -0.617 119.166 119.800 -0.029 0.000 2.245 261 Q HA 0.286 4.626 4.340 0.000 0.000 0.236 261 Q C 2.444 178.409 176.000 -0.058 0.000 0.842 261 Q CA 0.519 56.300 55.803 -0.037 0.000 0.945 261 Q CB 0.731 29.439 28.738 -0.051 0.000 1.122 261 Q HN 0.439 nan 8.270 nan 0.000 0.506 262 G N 0.990 109.743 108.800 -0.077 0.000 2.403 262 G HA2 -0.195 3.765 3.960 0.000 0.000 0.216 262 G HA3 -0.195 3.765 3.960 0.000 0.000 0.216 262 G C 1.420 176.269 174.900 -0.086 0.000 1.154 262 G CA 0.890 45.920 45.100 -0.116 0.000 0.784 262 G HN 0.353 nan 8.290 nan 0.000 0.538 263 A N 0.943 123.760 122.820 -0.006 0.000 1.877 263 A HA -0.045 4.275 4.320 0.000 0.000 0.216 263 A C 2.207 179.846 177.584 0.092 0.000 1.186 263 A CA 2.177 54.240 52.037 0.043 0.000 0.620 263 A CB -0.477 18.657 19.000 0.224 0.000 0.822 263 A HN 0.398 nan 8.150 nan 0.000 0.443 264 K N -0.323 120.152 120.400 0.124 0.000 2.057 264 K HA -0.100 4.220 4.320 0.000 0.000 0.207 264 K C 1.767 178.400 176.600 0.056 0.000 1.049 264 K CA 1.681 58.054 56.287 0.142 0.000 0.931 264 K CB -0.244 32.297 32.500 0.067 0.000 0.714 264 K HN 0.240 nan 8.250 nan 0.000 0.440 265 V N 1.182 121.070 119.914 -0.044 0.000 2.379 265 V HA -0.185 3.935 4.120 0.000 0.000 0.245 265 V C 2.457 178.442 176.094 -0.183 0.000 1.044 265 V CA 1.822 64.054 62.300 -0.113 0.000 1.036 265 V CB -0.612 31.122 31.823 -0.149 0.000 0.664 265 V HN 0.492 nan 8.190 nan 0.000 0.453 266 A N -0.173 122.498 122.820 -0.247 0.000 1.902 266 A HA -0.190 4.130 4.320 0.000 0.000 0.217 266 A C 1.993 179.304 177.584 -0.455 0.000 1.181 266 A CA 1.886 53.649 52.037 -0.456 0.000 0.623 266 A CB -0.700 18.060 19.000 -0.399 0.000 0.818 266 A HN 0.464 nan 8.150 nan 0.000 0.443 267 F N 0.318 120.274 119.950 0.009 0.000 2.325 267 F HA 0.074 4.601 4.527 0.000 0.000 0.299 267 F C 2.552 178.409 175.800 0.096 0.000 1.090 267 F CA 0.375 58.468 58.000 0.154 0.000 1.392 267 F CB -1.011 38.140 39.000 0.253 0.000 1.053 267 F HN 0.260 nan 8.300 nan 0.000 0.521 268 G N -0.356 108.549 108.800 0.174 0.000 2.402 268 G HA2 -0.158 3.802 3.960 0.000 0.000 0.216 268 G HA3 -0.158 3.802 3.960 0.000 0.000 0.216 268 G C 1.946 176.861 174.900 0.025 0.000 1.162 268 G CA 0.808 45.982 45.100 0.123 0.000 0.777 268 G HN 0.415 nan 8.290 nan 0.000 0.539 269 A N 0.520 123.250 122.820 -0.150 0.000 1.902 269 A HA 0.109 4.429 4.320 0.000 0.000 0.217 269 A C 2.106 179.584 177.584 -0.177 0.000 1.181 269 A CA 1.356 53.241 52.037 -0.253 0.000 0.623 269 A CB -0.528 18.184 19.000 -0.479 0.000 0.818 269 A HN 0.264 nan 8.150 nan 0.000 0.443 270 F N 0.822 120.742 119.950 -0.049 0.000 2.293 270 F HA -0.077 4.450 4.527 0.000 0.000 0.300 270 F C 1.877 177.655 175.800 -0.037 0.000 1.086 270 F CA 0.838 58.795 58.000 -0.072 0.000 1.375 270 F CB -0.525 38.434 39.000 -0.068 0.000 1.045 270 F HN 0.235 nan 8.300 nan 0.000 0.516 271 D N -0.286 120.227 120.400 0.187 0.000 2.097 271 D HA -0.097 4.543 4.640 0.000 0.000 0.197 271 D C 2.588 178.924 176.300 0.060 0.000 0.984 271 D CA 1.473 55.541 54.000 0.113 0.000 0.826 271 D CB -0.953 39.934 40.800 0.146 0.000 0.973 271 D HN 0.303 nan 8.370 nan 0.000 0.460 272 G N 0.789 109.621 108.800 0.053 0.000 2.421 272 G HA2 -0.266 3.694 3.960 0.000 0.000 0.216 272 G HA3 -0.266 3.694 3.960 0.000 0.000 0.216 272 G C 1.744 176.641 174.900 -0.005 0.000 1.171 272 G CA 1.706 46.815 45.100 0.015 0.000 0.775 272 G HN 0.419 nan 8.290 nan 0.000 0.543 273 S N 1.186 116.888 115.700 0.002 0.000 2.423 273 S HA 0.177 4.647 4.470 0.000 0.000 0.231 273 S C 2.578 177.156 174.600 -0.037 0.000 1.014 273 S CA 1.382 59.568 58.200 -0.022 0.000 0.965 273 S CB -0.389 62.815 63.200 0.007 0.000 0.785 273 S HN 0.613 nan 8.310 nan 0.000 0.495 274 A N 1.803 124.615 122.820 -0.013 0.000 1.908 274 A HA -0.010 4.310 4.320 0.000 0.000 0.218 274 A C 2.412 179.990 177.584 -0.010 0.000 1.181 274 A CA 1.866 53.888 52.037 -0.025 0.000 0.627 274 A CB -1.267 17.722 19.000 -0.019 0.000 0.818 274 A HN 0.474 nan 8.150 nan 0.000 0.445 275 V N -0.153 119.759 119.914 -0.004 0.000 2.332 275 V HA -0.219 3.901 4.120 0.000 0.000 0.248 275 V C 2.416 178.510 176.094 0.001 0.000 1.055 275 V CA 1.733 64.039 62.300 0.010 0.000 1.038 275 V CB -0.680 31.149 31.823 0.010 0.000 0.651 275 V HN 0.477 nan 8.190 nan 0.000 0.450 276 L N -0.551 120.648 121.223 -0.039 0.000 2.240 276 L HA -0.005 4.335 4.340 0.000 0.000 0.211 276 L C 2.376 179.194 176.870 -0.086 0.000 1.106 276 L CA 1.269 56.058 54.840 -0.084 0.000 0.793 276 L CB -1.194 40.773 42.059 -0.155 0.000 0.927 276 L HN 0.182 nan 8.230 nan 0.000 0.446 277 V N 0.160 120.043 119.914 -0.052 0.000 2.407 277 V HA -0.198 3.922 4.120 0.000 0.000 0.248 277 V C 2.614 178.719 176.094 0.018 0.000 1.055 277 V CA 1.718 64.017 62.300 -0.002 0.000 1.049 277 V CB -1.259 30.590 31.823 0.044 0.000 0.662 277 V HN 0.536 nan 8.190 nan 0.000 0.455 278 G N -0.180 108.639 108.800 0.031 0.000 2.446 278 G HA2 -0.260 3.700 3.960 0.000 0.000 0.217 278 G HA3 -0.260 3.700 3.960 0.000 0.000 0.217 278 G C 1.764 176.700 174.900 0.061 0.000 1.168 278 G CA 1.126 46.265 45.100 0.066 0.000 0.771 278 G HN 0.616 nan 8.290 nan 0.000 0.551 279 A N 0.392 123.237 122.820 0.042 0.000 1.930 279 A HA 0.080 4.400 4.320 0.000 0.000 0.217 279 A C 2.469 180.065 177.584 0.020 0.000 1.175 279 A CA 1.729 53.803 52.037 0.061 0.000 0.627 279 A CB -0.345 18.686 19.000 0.053 0.000 0.815 279 A HN 0.388 nan 8.150 nan 0.000 0.443 280 M N -0.551 118.985 119.600 -0.105 0.000 2.108 280 M HA -0.140 4.340 4.480 0.000 0.000 0.261 280 M C 2.307 178.611 176.300 0.007 0.000 1.066 280 M CA 1.561 56.696 55.300 -0.275 0.000 1.107 280 M CB -0.620 31.625 32.600 -0.592 0.000 1.356 280 M HN 0.520 nan 8.290 nan 0.000 0.406 281 G N -0.336 108.486 108.800 0.037 0.000 2.421 281 G HA2 -0.151 3.809 3.960 0.000 0.000 0.216 281 G HA3 -0.151 3.809 3.960 0.000 0.000 0.216 281 G C 1.450 176.407 174.900 0.096 0.000 1.171 281 G CA 0.905 46.053 45.100 0.080 0.000 0.775 281 G HN 0.326 nan 8.290 nan 0.000 0.543 282 V N 1.681 121.649 119.914 0.090 0.000 2.332 282 V HA -0.127 3.993 4.120 0.000 0.000 0.248 282 V C 3.137 179.301 176.094 0.117 0.000 1.055 282 V CA 2.104 64.454 62.300 0.083 0.000 1.038 282 V CB -1.170 30.689 31.823 0.061 0.000 0.651 282 V HN 0.443 nan 8.190 nan 0.000 0.450 283 G N -0.245 108.654 108.800 0.165 0.000 2.418 283 G HA2 -0.191 3.769 3.960 0.000 0.000 0.217 283 G HA3 -0.191 3.769 3.960 0.000 0.000 0.217 283 G C 1.570 176.597 174.900 0.211 0.000 1.158 283 G CA 0.920 46.152 45.100 0.219 0.000 0.771 283 G HN 0.477 nan 8.290 nan 0.000 0.545 284 L N -0.311 121.047 121.223 0.225 0.000 2.083 284 L HA -0.035 4.305 4.340 0.000 0.000 0.209 284 L C 3.071 180.023 176.870 0.137 0.000 1.083 284 L CA 0.919 55.865 54.840 0.178 0.000 0.752 284 L CB -0.369 41.800 42.059 0.183 0.000 0.899 284 L HN 0.237 nan 8.230 nan 0.000 0.433 285 M N -0.655 119.020 119.600 0.125 0.000 2.099 285 M HA -0.204 4.276 4.480 0.000 0.000 0.262 285 M C 2.486 178.873 176.300 0.145 0.000 1.067 285 M CA 1.634 57.001 55.300 0.112 0.000 1.124 285 M CB -0.407 32.236 32.600 0.072 0.000 1.353 285 M HN 0.124 nan 8.290 nan 0.000 0.410 286 R N 0.831 121.409 120.500 0.130 0.000 2.096 286 R HA -0.173 4.167 4.340 0.000 0.000 0.240 286 R C 2.123 178.541 176.300 0.197 0.000 1.139 286 R CA 2.022 58.216 56.100 0.157 0.000 0.952 286 R CB -0.429 29.951 30.300 0.133 0.000 0.854 286 R HN 0.346 nan 8.270 nan 0.000 0.436 287 A N 0.519 123.431 122.820 0.152 0.000 1.902 287 A HA -0.105 4.215 4.320 0.000 0.000 0.217 287 A C 2.416 180.058 177.584 0.096 0.000 1.181 287 A CA 1.794 53.895 52.037 0.107 0.000 0.623 287 A CB -0.975 18.067 19.000 0.070 0.000 0.818 287 A HN 0.592 nan 8.150 nan 0.000 0.443 288 A N -1.235 121.664 122.820 0.132 0.000 1.873 288 A HA -0.018 4.303 4.320 0.000 0.000 0.215 288 A C 2.073 179.797 177.584 0.233 0.000 1.186 288 A CA 1.574 53.713 52.037 0.171 0.000 0.616 288 A CB -0.734 18.377 19.000 0.186 0.000 0.823 288 A HN 0.686 nan 8.150 nan 0.000 0.442 289 F N 1.296 121.306 119.950 0.101 0.000 2.075 289 F HA -0.211 4.316 4.527 0.000 0.000 0.297 289 F C 1.853 177.725 175.800 0.119 0.000 1.113 289 F CA 2.237 60.294 58.000 0.095 0.000 1.218 289 F CB -0.271 38.766 39.000 0.062 0.000 0.984 289 F HN 0.236 nan 8.300 nan 0.000 0.472 290 D N 0.630 121.165 120.400 0.225 0.000 2.106 290 D HA -0.227 4.413 4.640 0.000 0.000 0.191 290 D C 2.382 178.708 176.300 0.043 0.000 0.997 290 D CA 1.785 55.855 54.000 0.116 0.000 0.834 290 D CB -0.878 40.019 40.800 0.162 0.000 0.956 290 D HN 0.397 nan 8.370 nan 0.000 0.448 291 A N 0.794 123.647 122.820 0.054 0.000 1.902 291 A HA -0.061 4.259 4.320 0.000 0.000 0.217 291 A C 2.297 180.050 177.584 0.281 0.000 1.181 291 A CA 2.433 54.501 52.037 0.052 0.000 0.623 291 A CB -0.760 18.073 19.000 -0.278 0.000 0.818 291 A HN 0.252 nan 8.150 nan 0.000 0.443 292 A N -0.717 122.287 122.820 0.305 0.000 1.898 292 A HA 0.018 4.338 4.320 0.000 0.000 0.216 292 A C 2.131 179.830 177.584 0.191 0.000 1.181 292 A CA 1.650 53.858 52.037 0.283 0.000 0.620 292 A CB -0.576 18.487 19.000 0.105 0.000 0.819 292 A HN 0.614 nan 8.150 nan 0.000 0.442 293 L N -0.050 121.129 121.223 -0.073 0.000 2.017 293 L HA -0.117 4.223 4.340 0.000 0.000 0.208 293 L C 2.299 179.199 176.870 0.050 0.000 1.073 293 L CA 2.574 57.351 54.840 -0.106 0.000 0.745 293 L CB -0.567 41.279 42.059 -0.355 0.000 0.894 293 L HN 0.453 nan 8.230 nan 0.000 0.432 294 K N -1.132 119.313 120.400 0.076 0.000 2.001 294 K HA -0.306 4.014 4.320 0.000 0.000 0.214 294 K C 2.240 178.923 176.600 0.140 0.000 1.050 294 K CA 2.337 58.683 56.287 0.099 0.000 0.934 294 K CB -0.598 31.965 32.500 0.105 0.000 0.718 294 K HN 0.309 nan 8.250 nan 0.000 0.443 295 F N 0.972 120.976 119.950 0.089 0.000 2.120 295 F HA -0.279 4.248 4.527 0.000 0.000 0.300 295 F C 1.973 177.787 175.800 0.023 0.000 1.095 295 F CA 1.919 59.972 58.000 0.087 0.000 1.249 295 F CB -0.372 38.727 39.000 0.165 0.000 0.995 295 F HN 0.152 nan 8.300 nan 0.000 0.480 296 A N -0.015 122.894 122.820 0.148 0.000 1.968 296 A HA -0.121 4.199 4.320 0.000 0.000 0.217 296 A C 2.136 179.640 177.584 -0.133 0.000 1.169 296 A CA 1.231 53.233 52.037 -0.059 0.000 0.638 296 A CB -0.491 18.594 19.000 0.142 0.000 0.812 296 A HN 0.333 nan 8.150 nan 0.000 0.446 297 K N 0.038 120.405 120.400 -0.056 0.000 2.365 297 K HA -0.094 4.226 4.320 0.000 0.000 0.199 297 K C 1.136 177.677 176.600 -0.098 0.000 1.045 297 K CA 1.377 57.630 56.287 -0.056 0.000 0.962 297 K CB 0.049 32.542 32.500 -0.011 0.000 0.759 297 K HN 0.917 nan 8.250 nan 0.000 0.469 298 E N 0.110 120.217 120.200 -0.156 0.000 2.714 298 E HA 0.056 4.406 4.350 0.000 0.000 0.219 298 E C -0.671 175.767 176.600 -0.271 0.000 0.979 298 E CA -0.153 56.147 56.400 -0.166 0.000 1.092 298 E CB 0.500 30.137 29.700 -0.105 0.000 1.049 298 E HN -0.155 nan 8.360 nan 0.000 0.487 299 D N 1.313 121.467 120.400 -0.410 0.000 2.470 299 D HA 0.020 4.660 4.640 0.000 0.000 0.233 299 D C -0.470 175.579 176.300 -0.418 0.000 1.372 299 D CA -0.477 53.236 54.000 -0.479 0.000 0.994 299 D CB 0.728 41.021 40.800 -0.846 0.000 1.377 299 D HN 0.306 nan 8.370 nan 0.000 0.586 300 N N 2.291 120.834 118.700 -0.262 0.000 2.370 300 N HA -0.017 4.723 4.740 0.000 0.000 0.198 300 N C -0.071 175.336 175.510 -0.172 0.000 1.156 300 N CA -0.512 52.409 53.050 -0.215 0.000 0.839 300 N CB 0.208 38.606 38.487 -0.149 0.000 0.989 300 N HN 0.161 nan 8.380 nan 0.000 0.468 301 R N -0.086 120.314 120.500 -0.167 0.000 3.525 301 R HA -0.138 4.202 4.340 0.000 0.000 0.276 301 R C 0.779 177.042 176.300 -0.061 0.000 1.116 301 R CA 0.781 56.830 56.100 -0.085 0.000 0.745 301 R CB -2.609 27.658 30.300 -0.056 0.000 1.185 301 R HN 0.702 nan 8.270 nan 0.000 0.454 302 G N -0.832 107.927 108.800 -0.068 0.000 2.323 302 G HA2 -0.270 3.690 3.960 0.000 0.000 0.292 302 G HA3 -0.270 3.690 3.960 0.000 0.000 0.292 302 G C 0.562 175.434 174.900 -0.047 0.000 1.040 302 G CA 0.720 45.790 45.100 -0.050 0.000 0.942 302 G HN 0.815 nan 8.290 nan 0.000 0.506 303 G N -2.005 106.758 108.800 -0.061 0.000 2.488 303 G HA2 0.756 4.716 3.960 0.000 0.000 0.318 303 G HA3 0.756 4.716 3.960 0.000 0.000 0.318 303 G C 0.892 175.764 174.900 -0.047 0.000 1.188 303 G CA -0.006 45.062 45.100 -0.053 0.000 0.944 303 G HN 1.272 nan 8.290 nan 0.000 0.495 304 A N -0.975 121.823 122.820 -0.037 0.000 2.275 304 A HA 0.502 4.822 4.320 0.000 0.000 0.212 304 A C 0.761 178.326 177.584 -0.032 0.000 1.201 304 A CA 1.011 53.029 52.037 -0.030 0.000 0.843 304 A CB -0.547 18.440 19.000 -0.022 0.000 0.873 304 A HN 1.541 nan 8.150 nan 0.000 0.492 305 V N -5.454 114.436 119.914 -0.040 0.000 3.181 305 V HA 0.615 4.735 4.120 0.000 0.000 0.308 305 V C -3.351 172.706 176.094 -0.061 0.000 1.214 305 V CA -2.935 59.341 62.300 -0.040 0.000 1.053 305 V CB 1.171 32.977 31.823 -0.028 0.000 1.069 305 V HN -0.031 nan 8.190 nan 0.000 0.441 306 P HA 0.180 nan 4.420 nan 0.000 0.266 306 P C 0.684 177.915 177.300 -0.115 0.000 1.195 306 P CA -0.120 62.930 63.100 -0.084 0.000 0.768 306 P CB 0.593 32.260 31.700 -0.055 0.000 0.838 307 L N 4.268 125.372 121.223 -0.199 0.000 1.997 307 L HA -0.203 4.137 4.340 0.000 0.000 0.216 307 L C 1.897 178.620 176.870 -0.244 0.000 1.074 307 L CA 1.835 56.472 54.840 -0.338 0.000 0.763 307 L CB -1.316 40.377 42.059 -0.610 0.000 0.890 307 L HN 0.388 nan 8.230 nan 0.000 0.434 308 L N -0.628 120.530 121.223 -0.108 0.000 2.551 308 L HA -0.205 4.135 4.340 0.000 0.000 0.230 308 L C 1.918 178.842 176.870 0.090 0.000 1.163 308 L CA 0.773 55.679 54.840 0.111 0.000 0.826 308 L CB -0.531 41.600 42.059 0.119 0.000 0.943 308 L HN 0.416 nan 8.230 nan 0.000 0.452 309 E N -0.199 120.016 120.200 0.025 0.000 2.489 309 E HA 0.024 4.374 4.350 0.000 0.000 0.193 309 E C 0.104 176.728 176.600 0.041 0.000 1.057 309 E CA -0.119 56.298 56.400 0.029 0.000 0.866 309 E CB 0.337 30.039 29.700 0.004 0.000 0.916 309 E HN 0.301 nan 8.360 nan 0.000 0.500 310 R N 1.430 121.969 120.500 0.064 0.000 2.202 310 R HA 0.133 4.473 4.340 0.000 0.000 0.334 310 R C 0.979 177.348 176.300 0.115 0.000 1.036 310 R CA -0.010 56.140 56.100 0.082 0.000 0.878 310 R CB 0.559 30.916 30.300 0.095 0.000 1.067 310 R HN 0.232 nan 8.270 nan 0.000 0.457 311 Q N 1.838 121.684 119.800 0.076 0.000 2.096 311 Q HA -0.246 4.094 4.340 0.000 0.000 0.208 311 Q C 1.766 177.811 176.000 0.075 0.000 0.993 311 Q CA 2.427 58.270 55.803 0.067 0.000 0.862 311 Q CB -0.139 28.625 28.738 0.043 0.000 0.915 311 Q HN 0.728 nan 8.270 nan 0.000 0.416 312 A N 0.542 123.410 122.820 0.080 0.000 1.902 312 A HA -0.193 4.127 4.320 0.000 0.000 0.217 312 A C 1.861 179.499 177.584 0.091 0.000 1.181 312 A CA 1.334 53.414 52.037 0.071 0.000 0.623 312 A CB -0.738 18.302 19.000 0.067 0.000 0.818 312 A HN 0.446 nan 8.150 nan 0.000 0.443 313 F N 0.712 120.669 119.950 0.011 0.000 2.163 313 F HA 0.085 4.612 4.527 0.000 0.000 0.297 313 F C 2.493 178.306 175.800 0.022 0.000 1.094 313 F CA 1.111 59.119 58.000 0.014 0.000 1.290 313 F CB -0.369 38.642 39.000 0.019 0.000 1.017 313 F HN 0.235 nan 8.300 nan 0.000 0.483 314 A N 0.068 123.007 122.820 0.199 0.000 1.933 314 A HA -0.202 4.118 4.320 0.000 0.000 0.218 314 A C 1.883 179.459 177.584 -0.013 0.000 1.175 314 A CA 2.062 54.162 52.037 0.104 0.000 0.628 314 A CB -1.027 18.062 19.000 0.148 0.000 0.814 314 A HN 0.439 nan 8.150 nan 0.000 0.444 315 D N -0.449 119.946 120.400 -0.009 0.000 2.178 315 D HA -0.097 4.543 4.640 0.000 0.000 0.201 315 D C 1.722 177.989 176.300 -0.056 0.000 0.980 315 D CA 0.632 54.621 54.000 -0.017 0.000 0.842 315 D CB -0.186 40.613 40.800 -0.002 0.000 0.948 315 D HN 0.237 nan 8.370 nan 0.000 0.472 316 L N 0.339 121.485 121.223 -0.129 0.000 2.056 316 L HA -0.034 4.306 4.340 0.000 0.000 0.207 316 L C 2.328 179.113 176.870 -0.141 0.000 1.078 316 L CA 1.114 55.862 54.840 -0.154 0.000 0.749 316 L CB -0.980 40.936 42.059 -0.239 0.000 0.901 316 L HN 0.124 nan 8.230 nan 0.000 0.433 317 L N -0.907 120.186 121.223 -0.216 0.000 2.027 317 L HA -0.198 4.142 4.340 0.000 0.000 0.206 317 L C 2.649 179.618 176.870 0.165 0.000 1.074 317 L CA 1.483 56.287 54.840 -0.061 0.000 0.745 317 L CB -0.391 41.566 42.059 -0.170 0.000 0.898 317 L HN 0.418 nan 8.230 nan 0.000 0.433 318 S N -0.489 115.270 115.700 0.099 0.000 2.402 318 S HA -0.109 4.361 4.470 0.000 0.000 0.229 318 S C 2.045 176.671 174.600 0.043 0.000 1.021 318 S CA 0.910 59.171 58.200 0.102 0.000 0.974 318 S CB -0.849 62.391 63.200 0.066 0.000 0.800 318 S HN 0.433 nan 8.310 nan 0.000 0.484 319 G N 1.662 110.475 108.800 0.021 0.000 2.446 319 G HA2 -0.156 3.804 3.960 0.000 0.000 0.217 319 G HA3 -0.156 3.804 3.960 0.000 0.000 0.217 319 G C 1.457 176.363 174.900 0.011 0.000 1.168 319 G CA 1.138 46.241 45.100 0.005 0.000 0.771 319 G HN 0.487 nan 8.290 nan 0.000 0.551 320 V N 1.005 120.945 119.914 0.043 0.000 2.287 320 V HA -0.178 3.942 4.120 0.000 0.000 0.248 320 V C 2.716 178.804 176.094 -0.010 0.000 1.053 320 V CA 2.321 64.658 62.300 0.063 0.000 1.027 320 V CB -0.427 31.497 31.823 0.168 0.000 0.646 320 V HN 0.343 nan 8.190 nan 0.000 0.447 321 K N 0.564 120.920 120.400 -0.073 0.000 2.032 321 K HA -0.134 4.186 4.320 0.000 0.000 0.209 321 K C 1.798 178.279 176.600 -0.198 0.000 1.048 321 K CA 1.770 57.844 56.287 -0.354 0.000 0.927 321 K CB -0.638 31.603 32.500 -0.433 0.000 0.712 321 K HN 0.471 nan 8.250 nan 0.000 0.441 322 I N 0.633 121.144 120.570 -0.099 0.000 2.226 322 I HA -0.299 3.871 4.170 0.000 0.000 0.245 322 I C 2.350 178.448 176.117 -0.032 0.000 1.100 322 I CA 1.114 62.374 61.300 -0.067 0.000 1.374 322 I CB -0.298 37.683 38.000 -0.032 0.000 1.057 322 I HN 0.239 nan 8.210 nan 0.000 0.413 323 Q N 0.211 120.010 119.800 -0.002 0.000 2.124 323 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 323 Q C 2.330 178.372 176.000 0.071 0.000 0.977 323 Q CA 1.988 57.828 55.803 0.062 0.000 0.850 323 Q CB -0.697 28.049 28.738 0.013 0.000 0.901 323 Q HN 0.506 nan 8.270 nan 0.000 0.429 324 T N 1.679 116.223 114.554 -0.016 0.000 2.746 324 T HA -0.115 4.235 4.350 0.000 0.000 0.267 324 T C 1.602 176.249 174.700 -0.088 0.000 1.039 324 T CA 1.103 63.178 62.100 -0.042 0.000 1.142 324 T CB -0.019 68.786 68.868 -0.106 0.000 0.866 324 T HN 0.237 nan 8.240 nan 0.000 0.444 325 E N 1.409 121.529 120.200 -0.134 0.000 2.077 325 E HA -0.025 4.325 4.350 0.000 0.000 0.193 325 E C 2.594 179.090 176.600 -0.173 0.000 0.989 325 E CA 1.135 57.422 56.400 -0.187 0.000 0.800 325 E CB -0.531 29.051 29.700 -0.197 0.000 0.746 325 E HN 0.527 nan 8.360 nan 0.000 0.452 326 A N 1.596 124.359 122.820 -0.095 0.000 1.902 326 A HA -0.069 4.251 4.320 0.000 0.000 0.217 326 A C 2.439 179.936 177.584 -0.146 0.000 1.181 326 A CA 2.006 53.971 52.037 -0.120 0.000 0.623 326 A CB -0.561 18.419 19.000 -0.034 0.000 0.818 326 A HN 0.266 nan 8.150 nan 0.000 0.443 327 A N -0.366 122.494 122.820 0.066 0.000 1.902 327 A HA -0.166 4.154 4.320 0.000 0.000 0.217 327 A C 2.257 179.816 177.584 -0.042 0.000 1.181 327 A CA 1.819 53.944 52.037 0.146 0.000 0.623 327 A CB -0.458 18.695 19.000 0.256 0.000 0.818 327 A HN 0.554 nan 8.150 nan 0.000 0.443 328 R N -0.573 119.832 120.500 -0.158 0.000 2.062 328 R HA -0.022 4.318 4.340 0.000 0.000 0.229 328 R C 2.374 178.404 176.300 -0.451 0.000 1.128 328 R CA 1.344 57.229 56.100 -0.359 0.000 0.960 328 R CB -0.444 29.537 30.300 -0.531 0.000 0.855 328 R HN 0.418 nan 8.270 nan 0.000 0.432 329 A N 1.192 123.804 122.820 -0.347 0.000 1.892 329 A HA -0.220 4.100 4.320 0.000 0.000 0.218 329 A C 2.035 179.587 177.584 -0.052 0.000 1.188 329 A CA 1.634 53.565 52.037 -0.177 0.000 0.631 329 A CB -0.741 18.152 19.000 -0.178 0.000 0.822 329 A HN 0.403 nan 8.150 nan 0.000 0.447 330 L N -0.516 120.634 121.223 -0.122 0.000 2.056 330 L HA -0.077 4.263 4.340 0.000 0.000 0.207 330 L C 2.458 179.332 176.870 0.008 0.000 1.078 330 L CA 2.800 57.581 54.840 -0.099 0.000 0.749 330 L CB -1.123 40.781 42.059 -0.258 0.000 0.901 330 L HN 0.368 nan 8.230 nan 0.000 0.433 331 T N -1.167 113.407 114.554 0.034 0.000 2.684 331 T HA -0.207 4.143 4.350 0.000 0.000 0.267 331 T C 1.442 176.315 174.700 0.288 0.000 1.036 331 T CA 1.877 64.060 62.100 0.138 0.000 1.148 331 T CB -0.445 68.514 68.868 0.152 0.000 0.863 331 T HN 0.428 nan 8.240 nan 0.000 0.436 332 W N 1.820 123.134 121.300 0.022 0.000 2.381 332 W HA 0.102 4.762 4.660 0.000 0.000 0.301 332 W C 2.429 178.961 176.519 0.022 0.000 1.205 332 W CA 0.244 57.605 57.345 0.027 0.000 1.285 332 W CB -1.070 28.416 29.460 0.043 0.000 1.133 332 W HN 0.191 nan 8.180 nan 0.000 0.521 333 K N 0.998 121.540 120.400 0.237 0.000 2.032 333 K HA -0.162 4.158 4.320 0.000 0.000 0.209 333 K C 2.092 178.759 176.600 0.110 0.000 1.048 333 K CA 2.410 58.771 56.287 0.124 0.000 0.927 333 K CB -0.899 31.639 32.500 0.064 0.000 0.712 333 K HN -0.070 nan 8.250 nan 0.000 0.441 334 A N 0.528 123.402 122.820 0.089 0.000 1.902 334 A HA -0.015 4.305 4.320 0.000 0.000 0.217 334 A C 2.417 180.033 177.584 0.053 0.000 1.181 334 A CA 2.091 54.159 52.037 0.052 0.000 0.623 334 A CB -1.163 17.860 19.000 0.037 0.000 0.818 334 A HN 0.477 nan 8.150 nan 0.000 0.443 335 A N -1.211 121.658 122.820 0.081 0.000 1.883 335 A HA -0.247 4.073 4.320 0.000 0.000 0.217 335 A C 2.181 179.778 177.584 0.021 0.000 1.186 335 A CA 1.831 53.892 52.037 0.041 0.000 0.624 335 A CB -0.994 18.026 19.000 0.034 0.000 0.822 335 A HN 0.751 nan 8.150 nan 0.000 0.444 336 H N -0.152 118.899 119.070 -0.031 0.000 2.321 336 H HA -0.054 4.502 4.556 0.000 0.000 0.300 336 H C 2.337 177.641 175.328 -0.041 0.000 1.087 336 H CA 1.765 57.781 56.048 -0.054 0.000 1.319 336 H CB -0.177 29.544 29.762 -0.068 0.000 1.379 336 H HN 0.411 nan 8.280 nan 0.000 0.501 337 A N 1.290 124.137 122.820 0.045 0.000 1.933 337 A HA -0.140 4.180 4.320 0.000 0.000 0.218 337 A C 2.526 180.076 177.584 -0.057 0.000 1.175 337 A CA 1.374 53.407 52.037 -0.006 0.000 0.628 337 A CB -0.500 18.513 19.000 0.022 0.000 0.814 337 A HN 0.347 nan 8.150 nan 0.000 0.444 338 M N -0.319 119.254 119.600 -0.045 0.000 2.202 338 M HA -0.133 4.347 4.480 0.000 0.000 0.262 338 M C 1.384 177.672 176.300 -0.021 0.000 1.063 338 M CA 1.514 56.798 55.300 -0.026 0.000 1.097 338 M CB -1.033 31.561 32.600 -0.009 0.000 1.382 338 M HN 0.534 nan 8.290 nan 0.000 0.413 339 E N -1.414 118.733 120.200 -0.089 0.000 2.498 339 E HA 0.085 4.435 4.350 0.000 0.000 0.203 339 E C 0.792 177.301 176.600 -0.151 0.000 1.013 339 E CA -0.043 56.296 56.400 -0.100 0.000 0.927 339 E CB 0.494 30.129 29.700 -0.108 0.000 1.012 339 E HN 0.510 nan 8.360 nan 0.000 0.482 340 N N -0.159 118.413 118.700 -0.212 0.000 2.075 340 N HA 0.079 4.819 4.740 0.000 0.000 0.226 340 N C 0.695 176.136 175.510 -0.116 0.000 1.343 340 N CA 0.736 53.648 53.050 -0.231 0.000 0.881 340 N CB 2.017 40.185 38.487 -0.531 0.000 1.100 340 N HN 0.131 nan 8.380 nan 0.000 0.495 341 G N 2.512 111.267 108.800 -0.076 0.000 2.601 341 G HA2 -0.257 3.703 3.960 0.000 0.000 0.252 341 G HA3 -0.257 3.703 3.960 0.000 0.000 0.252 341 G C -2.642 172.264 174.900 0.010 0.000 1.294 341 G CA -0.405 44.681 45.100 -0.023 0.000 0.912 341 G HN 0.139 nan 8.290 nan 0.000 0.574 342 P HA 0.536 nan 4.420 nan 0.000 0.289 342 P C 0.593 177.891 177.300 -0.002 0.000 1.299 342 P CA 1.431 64.536 63.100 0.009 0.000 0.766 342 P CB 0.498 32.210 31.700 0.020 0.000 1.226 343 G N -0.644 108.156 108.800 -0.001 0.000 2.690 343 G HA2 -0.116 3.844 3.960 0.000 0.000 0.686 343 G HA3 -0.116 3.844 3.960 0.000 0.000 0.686 343 G C -0.866 174.033 174.900 -0.002 0.000 1.277 343 G CA -0.617 44.475 45.100 -0.013 0.000 0.799 343 G HN 0.566 nan 8.290 nan 0.000 0.613 344 D N -1.092 119.307 120.400 -0.002 0.000 2.405 344 D HA 0.067 4.707 4.640 0.000 0.000 0.232 344 D C 1.286 177.618 176.300 0.054 0.000 1.240 344 D CA 0.585 54.603 54.000 0.031 0.000 0.881 344 D CB 0.097 40.906 40.800 0.016 0.000 1.222 344 D HN 0.560 nan 8.370 nan 0.000 0.482 345 Y N 0.766 121.059 120.300 -0.011 0.000 2.224 345 Y HA -0.204 4.346 4.550 0.000 0.000 0.289 345 Y C 1.660 177.560 175.900 0.001 0.000 1.146 345 Y CA 1.614 59.711 58.100 -0.006 0.000 1.182 345 Y CB 0.068 38.527 38.460 -0.001 0.000 0.983 345 Y HN 0.323 nan 8.280 nan 0.000 0.524 346 D N 0.044 120.445 120.400 0.001 0.000 2.123 346 D HA -0.208 4.432 4.640 0.000 0.000 0.196 346 D C 2.270 178.507 176.300 -0.105 0.000 0.992 346 D CA 1.531 55.498 54.000 -0.055 0.000 0.833 346 D CB -0.520 40.295 40.800 0.026 0.000 0.954 346 D HN 0.486 nan 8.370 nan 0.000 0.455 347 A N 0.960 123.723 122.820 -0.096 0.000 1.873 347 A HA -0.165 4.155 4.320 0.000 0.000 0.215 347 A C 2.192 179.698 177.584 -0.130 0.000 1.186 347 A CA 1.245 53.214 52.037 -0.114 0.000 0.616 347 A CB -0.404 18.531 19.000 -0.107 0.000 0.823 347 A HN 0.132 nan 8.150 nan 0.000 0.442 348 R N -0.886 119.517 120.500 -0.161 0.000 2.096 348 R HA -0.119 4.221 4.340 0.000 0.000 0.235 348 R C 2.480 178.644 176.300 -0.225 0.000 1.127 348 R CA 1.557 57.556 56.100 -0.167 0.000 0.968 348 R CB -0.327 29.880 30.300 -0.155 0.000 0.861 348 R HN 0.591 nan 8.270 nan 0.000 0.440 349 R N 1.330 121.602 120.500 -0.380 0.000 2.096 349 R HA -0.162 4.178 4.340 0.000 0.000 0.235 349 R C 2.093 178.297 176.300 -0.159 0.000 1.127 349 R CA 1.622 57.507 56.100 -0.358 0.000 0.968 349 R CB -0.082 29.916 30.300 -0.503 0.000 0.861 349 R HN 0.259 nan 8.270 nan 0.000 0.440 350 E N 0.415 120.547 120.200 -0.114 0.000 2.153 350 E HA -0.191 4.159 4.350 0.000 0.000 0.194 350 E C 1.890 178.466 176.600 -0.039 0.000 0.988 350 E CA 1.106 57.478 56.400 -0.047 0.000 0.811 350 E CB 0.007 29.707 29.700 -0.001 0.000 0.746 350 E HN 0.441 nan 8.360 nan 0.000 0.466 351 L N 0.116 121.308 121.223 -0.051 0.000 2.093 351 L HA -0.108 4.232 4.340 0.000 0.000 0.208 351 L C 2.673 179.531 176.870 -0.020 0.000 1.085 351 L CA 0.884 55.707 54.840 -0.028 0.000 0.755 351 L CB -0.478 41.566 42.059 -0.024 0.000 0.904 351 L HN 0.168 nan 8.230 nan 0.000 0.435 352 A N 0.402 123.199 122.820 -0.037 0.000 1.902 352 A HA -0.158 4.162 4.320 0.000 0.000 0.217 352 A C 2.243 179.819 177.584 -0.013 0.000 1.181 352 A CA 1.357 53.381 52.037 -0.021 0.000 0.623 352 A CB -0.656 18.323 19.000 -0.034 0.000 0.818 352 A HN 0.346 nan 8.150 nan 0.000 0.443 353 L N -0.789 120.419 121.223 -0.025 0.000 2.083 353 L HA -0.183 4.157 4.340 0.000 0.000 0.209 353 L C 3.087 179.959 176.870 0.003 0.000 1.083 353 L CA 0.968 55.794 54.840 -0.024 0.000 0.752 353 L CB -0.566 41.473 42.059 -0.033 0.000 0.899 353 L HN 0.437 nan 8.230 nan 0.000 0.433 354 A N 0.186 123.013 122.820 0.012 0.000 1.877 354 A HA -0.197 4.123 4.320 0.000 0.000 0.216 354 A C 2.555 180.186 177.584 0.078 0.000 1.186 354 A CA 1.845 53.907 52.037 0.041 0.000 0.620 354 A CB -0.758 18.254 19.000 0.020 0.000 0.822 354 A HN 0.395 nan 8.150 nan 0.000 0.443 355 A N -0.486 122.366 122.820 0.053 0.000 1.902 355 A HA -0.165 4.155 4.320 0.000 0.000 0.217 355 A C 2.187 179.835 177.584 0.108 0.000 1.181 355 A CA 2.000 54.086 52.037 0.081 0.000 0.623 355 A CB -0.445 18.589 19.000 0.056 0.000 0.818 355 A HN 0.376 nan 8.150 nan 0.000 0.443 356 K N 0.078 120.514 120.400 0.061 0.000 1.991 356 K HA -0.123 4.197 4.320 0.000 0.000 0.212 356 K C 1.995 178.632 176.600 0.061 0.000 1.049 356 K CA 2.000 58.315 56.287 0.046 0.000 0.932 356 K CB -0.774 31.725 32.500 -0.001 0.000 0.717 356 K HN 0.270 nan 8.250 nan 0.000 0.441 357 V N 1.084 121.034 119.914 0.059 0.000 2.295 357 V HA -0.226 3.894 4.120 0.000 0.000 0.246 357 V C 2.292 178.432 176.094 0.077 0.000 1.049 357 V CA 1.963 64.293 62.300 0.051 0.000 1.024 357 V CB -0.623 31.225 31.823 0.041 0.000 0.648 357 V HN 0.269 nan 8.190 nan 0.000 0.447 358 F N 0.469 120.417 119.950 -0.003 0.000 2.102 358 F HA -0.229 4.298 4.527 0.000 0.000 0.298 358 F C 2.357 178.158 175.800 0.001 0.000 1.105 358 F CA 2.159 60.159 58.000 -0.001 0.000 1.239 358 F CB -0.448 38.552 39.000 0.000 0.000 0.991 358 F HN 0.154 nan 8.300 nan 0.000 0.474 359 C N 0.038 119.462 119.300 0.207 0.000 2.475 359 C HA -0.065 4.395 4.460 0.000 0.000 0.279 359 C C 3.156 178.151 174.990 0.008 0.000 1.322 359 C CA 0.994 60.086 59.018 0.124 0.000 1.734 359 C CB -1.314 26.533 27.740 0.178 0.000 2.005 359 C HN 0.692 nan 8.230 nan 0.000 0.495 360 S N 2.078 117.791 115.700 0.021 0.000 2.353 360 S HA -0.240 4.230 4.470 0.000 0.000 0.222 360 S C 1.525 176.101 174.600 -0.042 0.000 1.035 360 S CA 1.797 60.003 58.200 0.010 0.000 1.025 360 S CB -0.673 62.548 63.200 0.035 0.000 0.902 360 S HN 0.738 nan 8.310 nan 0.000 0.440 361 E N 1.912 122.061 120.200 -0.085 0.000 2.106 361 E HA 0.053 4.403 4.350 0.000 0.000 0.192 361 E C 2.445 178.946 176.600 -0.166 0.000 0.984 361 E CA 0.834 57.164 56.400 -0.117 0.000 0.806 361 E CB -0.427 29.199 29.700 -0.124 0.000 0.750 361 E HN 0.704 nan 8.360 nan 0.000 0.458 362 A N 1.627 124.284 122.820 -0.272 0.000 1.972 362 A HA -0.101 4.219 4.320 0.000 0.000 0.219 362 A C 2.387 179.899 177.584 -0.120 0.000 1.169 362 A CA 1.544 53.412 52.037 -0.282 0.000 0.635 362 A CB -0.526 18.189 19.000 -0.473 0.000 0.810 362 A HN 0.285 nan 8.150 nan 0.000 0.446 363 A N -0.443 122.337 122.820 -0.066 0.000 1.877 363 A HA -0.004 4.316 4.320 0.000 0.000 0.216 363 A C 2.224 179.808 177.584 -0.001 0.000 1.186 363 A CA 1.808 53.843 52.037 -0.003 0.000 0.620 363 A CB -0.937 18.081 19.000 0.030 0.000 0.822 363 A HN 0.395 nan 8.150 nan 0.000 0.443 364 V N 0.270 120.171 119.914 -0.020 0.000 2.295 364 V HA -0.248 3.872 4.120 0.000 0.000 0.246 364 V C 2.560 178.644 176.094 -0.018 0.000 1.049 364 V CA 2.418 64.709 62.300 -0.015 0.000 1.024 364 V CB -0.696 31.111 31.823 -0.026 0.000 0.648 364 V HN 0.571 nan 8.190 nan 0.000 0.447 365 K N 1.141 121.516 120.400 -0.042 0.000 2.044 365 K HA -0.160 4.160 4.320 0.000 0.000 0.210 365 K C 2.088 178.675 176.600 -0.022 0.000 1.049 365 K CA 1.946 58.208 56.287 -0.042 0.000 0.927 365 K CB -0.920 31.537 32.500 -0.071 0.000 0.713 365 K HN 0.411 nan 8.250 nan 0.000 0.443 366 A N -0.204 122.609 122.820 -0.012 0.000 1.902 366 A HA -0.183 4.137 4.320 0.000 0.000 0.217 366 A C 2.545 180.154 177.584 0.043 0.000 1.181 366 A CA 1.821 53.870 52.037 0.020 0.000 0.623 366 A CB -1.092 17.932 19.000 0.040 0.000 0.818 366 A HN 0.519 nan 8.150 nan 0.000 0.443 367 C N -1.604 117.725 119.300 0.048 0.000 2.440 367 C HA -0.041 4.419 4.460 0.000 0.000 0.278 367 C C 3.019 178.038 174.990 0.048 0.000 1.295 367 C CA 1.403 60.466 59.018 0.075 0.000 1.738 367 C CB -1.424 26.360 27.740 0.073 0.000 1.987 367 C HN 0.634 nan 8.230 nan 0.000 0.492 368 T N 0.802 115.368 114.554 0.019 0.000 2.708 368 T HA -0.157 4.193 4.350 0.000 0.000 0.266 368 T C 1.341 176.028 174.700 -0.022 0.000 1.037 368 T CA 1.834 63.934 62.100 0.000 0.000 1.146 368 T CB -0.412 68.452 68.868 -0.007 0.000 0.865 368 T HN 0.487 nan 8.240 nan 0.000 0.435 369 D N 0.814 121.199 120.400 -0.025 0.000 2.104 369 D HA -0.105 4.535 4.640 0.000 0.000 0.194 369 D C 2.356 178.606 176.300 -0.083 0.000 0.994 369 D CA 1.493 55.463 54.000 -0.050 0.000 0.830 369 D CB -0.655 40.120 40.800 -0.041 0.000 0.959 369 D HN 0.427 nan 8.370 nan 0.000 0.452 370 V N -0.633 119.245 119.914 -0.061 0.000 2.427 370 V HA -0.156 3.964 4.120 0.000 0.000 0.248 370 V C 2.405 178.345 176.094 -0.257 0.000 1.051 370 V CA 0.952 63.178 62.300 -0.123 0.000 1.048 370 V CB -0.839 30.992 31.823 0.014 0.000 0.666 370 V HN 0.114 nan 8.190 nan 0.000 0.456 371 I N 1.235 121.694 120.570 -0.185 0.000 2.118 371 I HA -0.239 3.931 4.170 0.000 0.000 0.241 371 I C 2.715 178.723 176.117 -0.182 0.000 1.070 371 I CA 2.195 63.364 61.300 -0.218 0.000 1.327 371 I CB -0.691 37.268 38.000 -0.068 0.000 1.034 371 I HN 0.354 nan 8.210 nan 0.000 0.405 372 N N 1.007 119.638 118.700 -0.115 0.000 2.104 372 N HA -0.160 4.580 4.740 0.000 0.000 0.190 372 N C 1.828 177.292 175.510 -0.076 0.000 1.024 372 N CA 1.728 54.728 53.050 -0.084 0.000 0.853 372 N CB -0.408 38.043 38.487 -0.061 0.000 1.008 372 N HN 0.404 nan 8.380 nan 0.000 0.424 373 A N 0.490 123.240 122.820 -0.116 0.000 1.897 373 A HA -0.021 4.299 4.320 0.000 0.000 0.215 373 A C 2.497 180.160 177.584 0.132 0.000 1.181 373 A CA 1.067 53.065 52.037 -0.065 0.000 0.620 373 A CB -0.663 18.102 19.000 -0.392 0.000 0.821 373 A HN 0.103 nan 8.150 nan 0.000 0.443 374 V N -0.882 118.959 119.914 -0.123 0.000 2.515 374 V HA 0.208 4.328 4.120 0.000 0.000 0.250 374 V C 1.668 177.619 176.094 -0.237 0.000 1.058 374 V CA 1.252 63.359 62.300 -0.320 0.000 1.064 374 V CB -1.539 29.709 31.823 -0.958 0.000 0.675 374 V HN 1.217 nan 8.190 nan 0.000 0.461 375 G N -0.425 108.269 108.800 -0.176 0.000 2.587 375 G HA2 -0.228 3.732 3.960 0.000 0.000 0.212 375 G HA3 -0.228 3.732 3.960 0.000 0.000 0.212 375 G C 0.334 175.173 174.900 -0.102 0.000 1.327 375 G CA -0.083 44.964 45.100 -0.089 0.000 0.898 375 G HN 0.105 nan 8.290 nan 0.000 0.551 376 I N 1.239 121.779 120.570 -0.049 0.000 2.236 376 I HA -0.177 3.993 4.170 0.000 0.000 0.249 376 I C 2.871 178.989 176.117 0.001 0.000 1.102 376 I CA 2.912 64.197 61.300 -0.026 0.000 1.365 376 I CB -0.619 37.374 38.000 -0.012 0.000 1.051 376 I HN 0.584 nan 8.210 nan 0.000 0.420 377 S N 0.520 116.201 115.700 -0.031 0.000 2.387 377 S HA -0.241 4.229 4.470 0.000 0.000 0.230 377 S C 2.092 176.664 174.600 -0.047 0.000 1.035 377 S CA 1.302 59.486 58.200 -0.028 0.000 1.014 377 S CB -0.674 62.483 63.200 -0.071 0.000 0.836 377 S HN 0.675 nan 8.310 nan 0.000 0.466 378 A N -0.444 122.282 122.820 -0.156 0.000 2.216 378 A HA -0.016 4.304 4.320 0.000 0.000 0.214 378 A C 1.698 179.338 177.584 0.094 0.000 1.160 378 A CA 0.763 52.729 52.037 -0.118 0.000 0.725 378 A CB -0.624 18.134 19.000 -0.405 0.000 0.784 378 A HN 0.557 nan 8.150 nan 0.000 0.472 379 Y N 0.549 120.829 120.300 -0.033 0.000 2.544 379 Y HA 0.050 4.600 4.550 0.000 0.000 0.286 379 Y C 0.522 176.435 175.900 0.022 0.000 1.141 379 Y CA -0.071 58.029 58.100 -0.000 0.000 1.299 379 Y CB 0.061 38.516 38.460 -0.008 0.000 1.030 379 Y HN 0.311 nan 8.280 nan 0.000 0.543 380 D N 0.697 121.155 120.400 0.098 0.000 2.346 380 D HA -0.013 4.627 4.640 0.000 0.000 0.260 380 D C 0.881 177.195 176.300 0.023 0.000 1.252 380 D CA 0.345 54.377 54.000 0.053 0.000 0.895 380 D CB 0.543 41.390 40.800 0.078 0.000 1.097 380 D HN 0.304 nan 8.370 nan 0.000 0.489 381 L N 3.189 124.397 121.223 -0.025 0.000 2.633 381 L HA -0.089 4.251 4.340 0.000 0.000 0.235 381 L C 2.111 178.979 176.870 -0.004 0.000 1.163 381 L CA 0.431 55.254 54.840 -0.029 0.000 0.859 381 L CB -0.191 41.835 42.059 -0.056 0.000 0.973 381 L HN 0.491 nan 8.230 nan 0.000 0.451 382 Q N 0.018 119.828 119.800 0.017 0.000 2.369 382 Q HA -0.012 4.328 4.340 0.000 0.000 0.206 382 Q C 0.396 176.410 176.000 0.024 0.000 0.963 382 Q CA 0.626 56.441 55.803 0.021 0.000 0.894 382 Q CB 0.312 29.071 28.738 0.035 0.000 0.965 382 Q HN 0.515 nan 8.270 nan 0.000 0.475 383 R N -0.131 120.397 120.500 0.046 0.000 2.720 383 R HA 0.195 4.535 4.340 0.000 0.000 0.272 383 R C -1.957 174.303 176.300 -0.066 0.000 0.991 383 R CA -1.866 54.256 56.100 0.036 0.000 1.010 383 R CB 0.361 30.797 30.300 0.226 0.000 1.141 383 R HN -0.156 nan 8.270 nan 0.000 0.494 384 P HA 0.014 nan 4.420 nan 0.000 0.241 384 P C 0.289 177.415 177.300 -0.289 0.000 1.191 384 P CA 0.709 63.619 63.100 -0.317 0.000 0.771 384 P CB 0.176 31.626 31.700 -0.416 0.000 0.929 385 F N 0.024 119.957 119.950 -0.028 0.000 2.186 385 F HA -0.101 4.426 4.527 0.000 0.000 0.299 385 F C 2.726 178.512 175.800 -0.024 0.000 1.090 385 F CA 1.465 59.449 58.000 -0.027 0.000 1.307 385 F CB -1.338 37.636 39.000 -0.044 0.000 1.019 385 F HN -0.043 nan 8.300 nan 0.000 0.489 386 S N -0.146 115.635 115.700 0.135 0.000 2.368 386 S HA -0.170 4.300 4.470 0.000 0.000 0.224 386 S C 1.774 176.384 174.600 0.016 0.000 1.029 386 S CA 1.680 59.912 58.200 0.054 0.000 0.988 386 S CB -0.387 62.806 63.200 -0.013 0.000 0.838 386 S HN 0.255 nan 8.310 nan 0.000 0.462 387 D N 0.943 121.337 120.400 -0.009 0.000 2.183 387 D HA -0.001 4.639 4.640 0.000 0.000 0.203 387 D C 1.853 178.130 176.300 -0.038 0.000 0.969 387 D CA 0.374 54.355 54.000 -0.031 0.000 0.842 387 D CB -0.350 40.424 40.800 -0.043 0.000 0.957 387 D HN 0.258 nan 8.370 nan 0.000 0.484 388 L N 0.571 121.779 121.223 -0.024 0.000 1.989 388 L HA -0.132 4.208 4.340 0.000 0.000 0.211 388 L C 2.296 179.179 176.870 0.022 0.000 1.071 388 L CA 1.217 56.055 54.840 -0.003 0.000 0.749 388 L CB -1.220 40.849 42.059 0.016 0.000 0.890 388 L HN 0.111 nan 8.230 nan 0.000 0.431 389 L N -0.221 121.026 121.223 0.041 0.000 2.017 389 L HA -0.192 4.148 4.340 0.000 0.000 0.208 389 L C 2.155 179.034 176.870 0.016 0.000 1.073 389 L CA 1.797 56.659 54.840 0.037 0.000 0.745 389 L CB -0.879 41.209 42.059 0.049 0.000 0.894 389 L HN 0.355 nan 8.230 nan 0.000 0.432 390 N N -1.191 117.512 118.700 0.005 0.000 2.453 390 N HA -0.112 4.628 4.740 0.000 0.000 0.183 390 N C 1.445 176.944 175.510 -0.018 0.000 1.041 390 N CA 1.520 54.568 53.050 -0.003 0.000 0.900 390 N CB -0.008 38.477 38.487 -0.003 0.000 0.961 390 N HN 0.495 nan 8.380 nan 0.000 0.443 391 T N 0.589 115.114 114.554 -0.048 0.000 2.852 391 T HA 0.082 4.432 4.350 0.000 0.000 0.256 391 T C 2.092 176.817 174.700 0.042 0.000 1.038 391 T CA 0.849 62.898 62.100 -0.084 0.000 1.141 391 T CB -0.089 68.671 68.868 -0.180 0.000 0.869 391 T HN 0.236 nan 8.240 nan 0.000 0.439 392 A N 1.110 123.952 122.820 0.036 0.000 1.933 392 A HA -0.041 4.279 4.320 0.000 0.000 0.218 392 A C 2.502 180.079 177.584 -0.012 0.000 1.175 392 A CA 1.091 53.151 52.037 0.039 0.000 0.628 392 A CB -1.147 17.877 19.000 0.039 0.000 0.814 392 A HN 0.317 nan 8.150 nan 0.000 0.444 393 V N -0.647 119.256 119.914 -0.018 0.000 2.568 393 V HA -0.209 3.911 4.120 0.000 0.000 0.253 393 V C 2.443 178.482 176.094 -0.091 0.000 1.072 393 V CA 1.923 64.199 62.300 -0.040 0.000 1.084 393 V CB -0.217 31.593 31.823 -0.021 0.000 0.676 393 V HN 0.415 nan 8.190 nan 0.000 0.469 394 V N -0.532 119.297 119.914 -0.142 0.000 2.667 394 V HA -0.142 3.978 4.120 0.000 0.000 0.252 394 V C 2.087 177.885 176.094 -0.493 0.000 1.065 394 V CA 1.523 63.622 62.300 -0.335 0.000 1.083 394 V CB -0.056 31.485 31.823 -0.469 0.000 0.692 394 V HN 0.504 nan 8.190 nan 0.000 0.468 395 L N 0.423 121.442 121.223 -0.340 0.000 2.042 395 L HA -0.117 4.223 4.340 0.000 0.000 0.210 395 L C -0.043 176.867 176.870 0.068 0.000 1.076 395 L CA 1.762 56.512 54.840 -0.151 0.000 0.749 395 L CB -2.071 39.988 42.059 -0.000 0.000 0.893 395 L HN 0.354 nan 8.230 nan 0.000 0.432 396 P HA -0.128 nan 4.420 nan 0.000 0.219 396 P C 1.721 179.024 177.300 0.007 0.000 1.150 396 P CA 1.313 64.416 63.100 0.005 0.000 0.814 396 P CB -0.016 31.667 31.700 -0.029 0.000 0.787 397 I N -5.205 115.356 120.570 -0.014 0.000 3.228 397 I HA 0.146 4.316 4.170 0.000 0.000 0.279 397 I C 0.844 176.964 176.117 0.005 0.000 1.221 397 I CA 0.040 61.313 61.300 -0.045 0.000 1.458 397 I CB -0.536 37.397 38.000 -0.111 0.000 1.105 397 I HN -0.224 nan 8.210 nan 0.000 0.445 398 F N 2.337 122.170 119.950 -0.195 0.000 2.403 398 F HA 0.498 5.025 4.527 0.000 0.000 0.326 398 F C 0.510 176.185 175.800 -0.207 0.000 1.099 398 F CA -2.232 55.632 58.000 -0.226 0.000 1.036 398 F CB -0.634 38.239 39.000 -0.213 0.000 1.336 398 F HN 0.129 nan 8.300 nan 0.000 0.497 399 D N 0.443 120.507 120.400 -0.561 0.000 2.689 399 D HA 0.025 4.665 4.640 0.000 0.000 0.237 399 D C 0.201 176.164 176.300 -0.561 0.000 1.148 399 D CA 1.863 55.448 54.000 -0.691 0.000 0.656 399 D CB -1.458 38.815 40.800 -0.877 0.000 1.050 399 D HN 1.616 nan 8.370 nan 0.000 0.426 400 G N -0.800 107.696 108.800 -0.506 0.000 3.316 400 G HA2 0.265 4.225 3.960 0.000 0.000 0.445 400 G HA3 0.265 4.225 3.960 0.000 0.000 0.445 400 G C 0.556 175.312 174.900 -0.241 0.000 1.002 400 G CA -0.019 44.828 45.100 -0.422 0.000 0.818 400 G HN 0.911 nan 8.290 nan 0.000 0.404 401 G N 1.053 109.755 108.800 -0.163 0.000 2.491 401 G HA2 0.348 4.308 3.960 0.000 0.000 0.238 401 G HA3 0.348 4.308 3.960 0.000 0.000 0.238 401 G C 1.068 175.910 174.900 -0.097 0.000 1.277 401 G CA 0.265 45.304 45.100 -0.103 0.000 0.851 401 G HN 0.816 nan 8.290 nan 0.000 0.573 402 N N 0.321 118.981 118.700 -0.067 0.000 2.104 402 N HA -0.171 4.569 4.740 0.000 0.000 0.190 402 N C 2.245 177.722 175.510 -0.055 0.000 1.024 402 N CA 0.952 53.967 53.050 -0.059 0.000 0.853 402 N CB -0.018 38.446 38.487 -0.038 0.000 1.008 402 N HN 0.295 nan 8.380 nan 0.000 0.424 403 V N 0.138 120.022 119.914 -0.049 0.000 2.323 403 V HA -0.059 4.062 4.120 0.000 0.000 0.244 403 V C 2.199 178.271 176.094 -0.036 0.000 1.041 403 V CA 1.990 64.267 62.300 -0.039 0.000 1.025 403 V CB -0.604 31.198 31.823 -0.035 0.000 0.656 403 V HN 0.437 nan 8.190 nan 0.000 0.451 404 G N -1.722 107.054 108.800 -0.040 0.000 2.887 404 G HA2 0.207 4.167 3.960 0.000 0.000 0.211 404 G HA3 0.207 4.167 3.960 0.000 0.000 0.211 404 G C 1.251 176.137 174.900 -0.024 0.000 1.152 404 G CA 0.244 45.327 45.100 -0.028 0.000 0.769 404 G HN 0.454 nan 8.290 nan 0.000 0.541 405 I N -1.148 119.385 120.570 -0.061 0.000 3.674 405 I HA 0.179 4.349 4.170 0.000 0.000 0.248 405 I C 2.413 178.422 176.117 -0.181 0.000 1.134 405 I CA -0.429 60.808 61.300 -0.104 0.000 1.519 405 I CB 0.038 37.935 38.000 -0.171 0.000 1.598 405 I HN -0.218 nan 8.210 nan 0.000 0.442 406 R N 1.674 122.050 120.500 -0.207 0.000 2.083 406 R HA -0.077 4.263 4.340 0.000 0.000 0.237 406 R C 2.161 178.411 176.300 -0.084 0.000 1.137 406 R CA 1.405 57.386 56.100 -0.200 0.000 0.951 406 R CB -0.867 29.346 30.300 -0.145 0.000 0.851 406 R HN 0.368 nan 8.270 nan 0.000 0.434 407 R N 0.204 120.671 120.500 -0.053 0.000 2.148 407 R HA 0.025 4.365 4.340 0.000 0.000 0.227 407 R C 2.145 178.437 176.300 -0.013 0.000 1.103 407 R CA 0.613 56.696 56.100 -0.029 0.000 0.983 407 R CB -0.049 30.234 30.300 -0.029 0.000 0.874 407 R HN 0.028 nan 8.270 nan 0.000 0.451 408 R N -0.022 120.484 120.500 0.010 0.000 2.115 408 R HA -0.044 4.296 4.340 0.000 0.000 0.230 408 R C 1.865 178.189 176.300 0.040 0.000 1.111 408 R CA 1.277 57.392 56.100 0.024 0.000 0.976 408 R CB -0.725 29.602 30.300 0.046 0.000 0.870 408 R HN 0.538 nan 8.270 nan 0.000 0.445 409 H N 0.097 119.087 119.070 -0.132 0.000 2.363 409 H HA 0.037 4.593 4.556 0.000 0.000 0.301 409 H C 2.129 177.381 175.328 -0.126 0.000 1.074 409 H CA 0.981 56.937 56.048 -0.153 0.000 1.354 409 H CB 0.151 29.804 29.762 -0.181 0.000 1.397 409 H HN 0.053 nan 8.280 nan 0.000 0.516 410 L N 0.708 121.942 121.223 0.019 0.000 2.046 410 L HA -0.240 4.100 4.340 0.000 0.000 0.208 410 L C 2.845 179.650 176.870 -0.110 0.000 1.077 410 L CA 1.253 56.066 54.840 -0.046 0.000 0.747 410 L CB -0.432 41.603 42.059 -0.041 0.000 0.896 410 L HN 0.322 nan 8.230 nan 0.000 0.432 411 Q N -0.358 119.385 119.800 -0.094 0.000 2.061 411 Q HA -0.266 4.074 4.340 0.000 0.000 0.204 411 Q C 2.286 178.196 176.000 -0.149 0.000 0.984 411 Q CA 1.709 57.439 55.803 -0.122 0.000 0.846 411 Q CB 0.021 28.708 28.738 -0.085 0.000 0.902 411 Q HN 0.487 nan 8.270 nan 0.000 0.421 412 Q N 0.042 119.762 119.800 -0.134 0.000 2.119 412 Q HA -0.123 4.217 4.340 0.000 0.000 0.201 412 Q C 2.315 178.231 176.000 -0.140 0.000 0.972 412 Q CA 1.026 56.744 55.803 -0.141 0.000 0.847 412 Q CB -0.126 28.507 28.738 -0.174 0.000 0.903 412 Q HN 0.473 nan 8.270 nan 0.000 0.433 413 L N 0.042 121.182 121.223 -0.137 0.000 2.012 413 L HA -0.192 4.148 4.340 0.000 0.000 0.210 413 L C 2.564 179.288 176.870 -0.243 0.000 1.073 413 L CA 1.159 55.940 54.840 -0.100 0.000 0.748 413 L CB -0.400 41.637 42.059 -0.037 0.000 0.891 413 L HN 0.238 nan 8.230 nan 0.000 0.431 414 M N -0.910 118.381 119.600 -0.515 0.000 2.229 414 M HA -0.209 4.271 4.480 0.000 0.000 0.264 414 M C 2.227 178.261 176.300 -0.442 0.000 1.063 414 M CA 1.565 56.312 55.300 -0.922 0.000 1.114 414 M CB -0.260 31.902 32.600 -0.730 0.000 1.387 414 M HN 0.257 nan 8.290 nan 0.000 0.420 415 L N -0.034 121.040 121.223 -0.248 0.000 2.291 415 L HA -0.085 4.255 4.340 0.000 0.000 0.214 415 L C 0.817 177.640 176.870 -0.078 0.000 1.120 415 L CA 0.567 55.324 54.840 -0.138 0.000 0.799 415 L CB -0.231 41.762 42.059 -0.110 0.000 0.925 415 L HN 0.170 nan 8.230 nan 0.000 0.446 416 K N 0.583 120.949 120.400 -0.056 0.000 2.451 416 K HA -0.019 4.301 4.320 0.000 0.000 0.280 416 K C -1.560 175.062 176.600 0.036 0.000 1.020 416 K CA -1.114 55.174 56.287 0.002 0.000 1.008 416 K CB 0.436 32.956 32.500 0.032 0.000 0.917 416 K HN -0.138 nan 8.250 nan 0.000 0.478 417 P HA -0.133 nan 4.420 nan 0.000 0.222 417 P C 0.911 178.239 177.300 0.047 0.000 1.147 417 P CA 1.129 64.247 63.100 0.031 0.000 0.790 417 P CB 0.129 31.839 31.700 0.016 0.000 0.780 418 T N -5.932 108.652 114.554 0.049 0.000 3.129 418 T HA -0.031 4.319 4.350 0.000 0.000 0.251 418 T C 0.496 175.226 174.700 0.050 0.000 1.117 418 T CA -0.397 61.727 62.100 0.039 0.000 1.034 418 T CB -1.140 67.745 68.868 0.027 0.000 0.968 418 T HN -0.033 nan 8.240 nan 0.000 0.526 419 Y N 2.906 123.176 120.300 -0.049 0.000 2.717 419 Y HA 0.288 4.838 4.550 0.000 0.000 0.330 419 Y C -0.261 175.590 175.900 -0.081 0.000 1.217 419 Y CA -0.556 57.499 58.100 -0.075 0.000 1.506 419 Y CB 0.301 38.708 38.460 -0.089 0.000 1.268 419 Y HN 0.097 nan 8.280 nan 0.000 0.561 420 D N 5.452 125.456 120.400 -0.661 0.000 2.346 420 D HA 0.348 4.988 4.640 0.000 0.000 0.255 420 D C 0.565 176.410 176.300 -0.758 0.000 1.276 420 D CA 0.271 53.970 54.000 -0.501 0.000 0.941 420 D CB 0.921 41.582 40.800 -0.230 0.000 1.199 420 D HN 0.754 nan 8.370 nan 0.000 0.537 421 A N 2.650 124.895 122.820 -0.960 0.000 1.896 421 A HA -0.203 4.118 4.320 0.000 0.000 0.220 421 A C 1.317 178.312 177.584 -0.983 0.000 1.206 421 A CA 1.421 52.727 52.037 -1.219 0.000 0.647 421 A CB -0.606 17.627 19.000 -1.278 0.000 0.828 421 A HN 0.698 nan 8.150 nan 0.000 0.455 422 W N -0.059 121.171 121.300 -0.116 0.000 3.123 422 W HA 0.242 4.902 4.660 0.000 0.000 0.383 422 W C 2.119 178.623 176.519 -0.025 0.000 1.102 422 W CA 0.207 57.537 57.345 -0.025 0.000 1.865 422 W CB -0.130 29.396 29.460 0.110 0.000 1.111 422 W HN 0.427 nan 8.180 nan 0.000 0.621 423 S N 0.143 115.862 115.700 0.031 0.000 2.419 423 S HA -0.244 4.226 4.470 0.000 0.000 0.235 423 S C 1.866 176.472 174.600 0.011 0.000 1.019 423 S CA 1.640 59.855 58.200 0.025 0.000 0.982 423 S CB -0.912 62.260 63.200 -0.047 0.000 0.789 423 S HN 0.233 nan 8.310 nan 0.000 0.490 424 S N 0.125 115.813 115.700 -0.020 0.000 2.555 424 S HA 0.038 4.508 4.470 0.000 0.000 0.230 424 S C 1.392 175.976 174.600 -0.026 0.000 0.978 424 S CA 0.894 59.080 58.200 -0.024 0.000 0.934 424 S CB -0.553 62.621 63.200 -0.042 0.000 0.766 424 S HN 0.588 nan 8.310 nan 0.000 0.533 425 T N -0.317 114.211 114.554 -0.043 0.000 3.098 425 T HA 0.273 4.623 4.350 0.000 0.000 0.246 425 T C 0.488 175.026 174.700 -0.271 0.000 0.983 425 T CA 0.212 62.176 62.100 -0.227 0.000 1.094 425 T CB -0.128 68.484 68.868 -0.426 0.000 1.035 425 T HN 0.423 nan 8.240 nan 0.000 0.456 426 Y N 1.335 121.680 120.300 0.074 0.000 2.467 426 Y HA 0.521 5.071 4.550 0.000 0.000 0.250 426 Y C 1.400 177.323 175.900 0.038 0.000 1.155 426 Y CA -0.194 57.934 58.100 0.046 0.000 1.249 426 Y CB 0.351 38.838 38.460 0.046 0.000 1.146 426 Y HN 0.413 nan 8.280 nan 0.000 0.524 427 G N 0.000 108.889 108.800 0.148 0.000 5.446 427 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 427 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 427 G CA 0.000 45.153 45.100 0.088 0.000 0.502 427 G HN 0.000 nan 8.290 nan 0.000 0.925