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 3ib9_1_B DATA FIRST_RESID 10 DATA SEQUENCE DIHTTAGKLA DLRRRIEEAT HAGSARAVEK QHAKGKLTAR ERIDLLLDEG DATA SEQUENCE SFVELDEFAR HRSTNFGLDA NRPYGDGVVT GYGTVDGRPV AVFSQDFTVF DATA SEQUENCE GGALGEVYGQ KIVKVMDFAL KTGCPVVGIN DSGGARIQEG VASLGAYGEI DATA SEQUENCE FRRNTHASGV IPQISLVVGP CAGGAVYSPA ITDFTVMVDQ TSHMFITGPD DATA SEQUENCE VIKTVTGEDV GFEELGGART HNSTSGVAHH MAGDEKDAVE YVKQLLSYLP DATA SEQUENCE SNNLSEPPAF PEEADLAVTD EDAELDTIVP DSANQPYDMH SVIEHVLDDA DATA SEQUENCE EFFETQPLFA PNILTGFGRV EGRPVGIVAN QPMQFAGCLD ITASEKAARF DATA SEQUENCE VRTCDAFNVP VLTFVDVPGF LPGVDQEHDG IIRRGAKLIF AYAEATVPLI DATA SEQUENCE TVITRKAFGG AYLVMGSKHL GADLNLAWPT AQIAVMGAQG AVNILHRRTI DATA SEQUENCE ADAGDDAEAT RARLIQEYED ALLNPYTAAE RGYVDAVIMP SDTRRHIVRG DATA SEQUENCE LRQLRTKRES LPPKKHGNIP L 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 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.299 176.300 -0.002 0.000 2.045 10 D CA 0.000 54.012 54.000 0.021 0.000 0.868 10 D CB 0.000 40.829 40.800 0.048 0.000 0.688 11 I N -1.233 119.331 120.570 -0.009 0.000 4.079 11 I HA 0.162 4.332 4.170 -0.000 0.000 0.276 11 I C 1.049 177.109 176.117 -0.095 0.000 1.146 11 I CA -0.003 61.243 61.300 -0.091 0.000 1.324 11 I CB 0.051 37.940 38.000 -0.185 0.000 1.638 11 I HN 0.340 nan 8.210 nan 0.000 0.436 12 H N 1.190 120.254 119.070 -0.009 0.000 2.518 12 H HA -0.052 4.504 4.556 -0.000 0.000 0.289 12 H C 0.642 175.966 175.328 -0.008 0.000 1.051 12 H CA 1.593 57.636 56.048 -0.009 0.000 1.280 12 H CB -0.134 29.624 29.762 -0.007 0.000 1.380 12 H HN 0.321 nan 8.280 nan 0.000 0.566 13 T N -2.645 111.963 114.554 0.090 0.000 2.767 13 T HA 0.116 4.466 4.350 -0.000 0.000 0.284 13 T C 1.397 176.111 174.700 0.024 0.000 0.973 13 T CA -0.501 61.631 62.100 0.054 0.000 0.996 13 T CB 1.707 70.603 68.868 0.047 0.000 0.927 13 T HN 0.048 nan 8.240 nan 0.000 0.456 14 T N 3.247 117.813 114.554 0.019 0.000 2.653 14 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 14 T C 2.079 176.781 174.700 0.002 0.000 1.037 14 T CA 2.144 64.249 62.100 0.009 0.000 1.159 14 T CB -0.659 68.214 68.868 0.009 0.000 0.859 14 T HN 0.922 nan 8.240 nan 0.000 0.449 15 A N 0.364 123.187 122.820 0.005 0.000 2.238 15 A HA 0.454 4.774 4.320 -0.000 0.000 0.208 15 A C 2.343 179.925 177.584 -0.003 0.000 1.177 15 A CA 1.034 53.072 52.037 0.001 0.000 0.804 15 A CB -0.525 18.477 19.000 0.004 0.000 0.823 15 A HN 0.516 nan 8.150 nan 0.000 0.482 16 G N -0.060 108.738 108.800 -0.003 0.000 2.459 16 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.213 16 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.213 16 G C 1.542 176.425 174.900 -0.028 0.000 1.155 16 G CA 0.736 45.828 45.100 -0.013 0.000 0.811 16 G HN 0.470 nan 8.290 nan 0.000 0.534 17 K N 0.104 120.487 120.400 -0.028 0.000 2.015 17 K HA -0.007 4.313 4.320 -0.000 0.000 0.216 17 K C 2.428 179.007 176.600 -0.035 0.000 1.052 17 K CA 1.231 57.496 56.287 -0.037 0.000 0.937 17 K CB -0.422 32.062 32.500 -0.027 0.000 0.719 17 K HN 0.210 nan 8.250 nan 0.000 0.446 18 L N -0.085 121.126 121.223 -0.021 0.000 2.127 18 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 18 L C 2.391 179.251 176.870 -0.018 0.000 1.089 18 L CA 1.170 56.001 54.840 -0.015 0.000 0.757 18 L CB -0.462 41.594 42.059 -0.006 0.000 0.899 18 L HN 0.306 nan 8.230 nan 0.000 0.434 19 A N -0.494 122.315 122.820 -0.019 0.000 1.968 19 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 19 A C 1.900 179.466 177.584 -0.030 0.000 1.169 19 A CA 1.711 53.737 52.037 -0.018 0.000 0.638 19 A CB -0.474 18.517 19.000 -0.014 0.000 0.812 19 A HN 0.405 nan 8.150 nan 0.000 0.446 20 D N -0.254 120.118 120.400 -0.045 0.000 2.092 20 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 20 D C 1.760 178.004 176.300 -0.092 0.000 0.994 20 D CA 1.550 55.508 54.000 -0.070 0.000 0.828 20 D CB -0.198 40.551 40.800 -0.085 0.000 0.963 20 D HN 0.270 nan 8.370 nan 0.000 0.450 21 L N 0.432 121.604 121.223 -0.084 0.000 2.131 21 L HA -0.016 4.324 4.340 -0.000 0.000 0.210 21 L C 2.119 178.968 176.870 -0.036 0.000 1.092 21 L CA 1.571 56.355 54.840 -0.094 0.000 0.759 21 L CB -0.330 41.704 42.059 -0.040 0.000 0.903 21 L HN -0.045 nan 8.230 nan 0.000 0.435 22 R N -1.037 119.456 120.500 -0.012 0.000 2.148 22 R HA -0.006 4.334 4.340 -0.000 0.000 0.223 22 R C 1.795 178.106 176.300 0.019 0.000 1.088 22 R CA 0.429 56.539 56.100 0.018 0.000 0.985 22 R CB -0.096 30.212 30.300 0.014 0.000 0.880 22 R HN 0.211 nan 8.270 nan 0.000 0.451 23 R N 0.524 121.017 120.500 -0.012 0.000 2.359 23 R HA 0.101 4.441 4.340 -0.000 0.000 0.231 23 R C 0.839 177.124 176.300 -0.025 0.000 0.913 23 R CA 0.361 56.458 56.100 -0.006 0.000 1.075 23 R CB 0.209 30.501 30.300 -0.014 0.000 1.087 23 R HN 0.130 nan 8.270 nan 0.000 0.515 24 R N -0.608 119.839 120.500 -0.089 0.000 2.316 24 R HA 0.149 4.489 4.340 -0.000 0.000 0.201 24 R C 1.968 178.283 176.300 0.025 0.000 0.888 24 R CA 0.196 56.159 56.100 -0.228 0.000 1.041 24 R CB 0.169 30.075 30.300 -0.656 0.000 1.115 24 R HN 0.131 nan 8.270 nan 0.000 0.559 25 I N 0.953 121.637 120.570 0.190 0.000 2.406 25 I HA -0.090 4.080 4.170 -0.000 0.000 0.249 25 I C 1.539 177.756 176.117 0.168 0.000 1.122 25 I CA 1.526 62.998 61.300 0.286 0.000 1.431 25 I CB 0.239 38.361 38.000 0.202 0.000 1.087 25 I HN 0.013 nan 8.210 nan 0.000 0.424 26 E N 0.981 121.270 120.200 0.148 0.000 2.051 26 E HA -0.248 4.102 4.350 -0.000 0.000 0.192 26 E C 2.061 178.832 176.600 0.285 0.000 0.991 26 E CA 1.911 58.433 56.400 0.202 0.000 0.799 26 E CB -0.131 29.645 29.700 0.127 0.000 0.748 26 E HN 0.601 nan 8.360 nan 0.000 0.449 27 E N 0.067 120.389 120.200 0.204 0.000 2.153 27 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 27 E C 1.841 178.601 176.600 0.268 0.000 0.988 27 E CA 0.946 57.484 56.400 0.229 0.000 0.811 27 E CB -0.055 29.782 29.700 0.230 0.000 0.746 27 E HN 0.232 nan 8.360 nan 0.000 0.466 28 A N 1.053 124.025 122.820 0.253 0.000 2.132 28 A HA -0.035 4.284 4.320 -0.000 0.000 0.213 28 A C 2.075 179.700 177.584 0.069 0.000 1.154 28 A CA 1.065 53.243 52.037 0.236 0.000 0.753 28 A CB -0.185 18.962 19.000 0.245 0.000 0.826 28 A HN 0.274 nan 8.150 nan 0.000 0.469 29 T N -3.967 110.588 114.554 0.001 0.000 3.206 29 T HA 0.212 4.562 4.350 -0.000 0.000 0.253 29 T C 0.329 174.730 174.700 -0.498 0.000 1.042 29 T CA 0.064 62.038 62.100 -0.210 0.000 0.931 29 T CB -0.430 68.285 68.868 -0.255 0.000 1.029 29 T HN 0.510 nan 8.240 nan 0.000 0.564 30 H N -0.277 118.814 119.070 0.035 0.000 2.885 30 H HA 0.516 5.072 4.556 -0.000 0.000 0.237 30 H C 1.367 176.704 175.328 0.015 0.000 1.229 30 H CA -0.062 55.996 56.048 0.017 0.000 0.947 30 H CB 0.492 30.265 29.762 0.017 0.000 2.223 30 H HN 0.439 nan 8.280 nan 0.000 0.628 31 A N 0.814 123.684 122.820 0.083 0.000 2.216 31 A HA 0.142 4.462 4.320 -0.000 0.000 0.214 31 A C 1.568 179.143 177.584 -0.016 0.000 1.160 31 A CA 0.847 52.920 52.037 0.059 0.000 0.725 31 A CB -0.102 18.937 19.000 0.064 0.000 0.784 31 A HN 0.318 nan 8.150 nan 0.000 0.472 32 G N 0.085 108.877 108.800 -0.013 0.000 2.371 32 G HA2 0.447 4.407 3.960 -0.000 0.000 0.326 32 G HA3 0.447 4.407 3.960 -0.000 0.000 0.326 32 G C 0.038 174.924 174.900 -0.024 0.000 1.127 32 G CA 0.303 45.372 45.100 -0.051 0.000 0.885 32 G HN 0.503 nan 8.290 nan 0.000 0.477 33 S N 0.817 116.490 115.700 -0.046 0.000 2.548 33 S HA 0.410 4.880 4.470 -0.000 0.000 0.277 33 S C 1.279 175.869 174.600 -0.017 0.000 1.315 33 S CA 0.100 58.283 58.200 -0.028 0.000 1.050 33 S CB 1.707 64.883 63.200 -0.040 0.000 0.918 33 S HN 1.216 nan 8.310 nan 0.000 0.497 34 A N 2.931 125.747 122.820 -0.006 0.000 2.255 34 A HA 0.090 4.410 4.320 -0.000 0.000 0.206 34 A C 2.100 179.684 177.584 -0.000 0.000 1.193 34 A CA 0.031 52.067 52.037 -0.001 0.000 0.794 34 A CB -0.401 18.601 19.000 0.005 0.000 0.794 34 A HN 0.711 nan 8.150 nan 0.000 0.481 35 R N -0.353 120.145 120.500 -0.004 0.000 2.066 35 R HA 0.086 4.426 4.340 -0.000 0.000 0.224 35 R C 2.229 178.529 176.300 0.001 0.000 1.122 35 R CA 1.405 57.506 56.100 0.003 0.000 0.974 35 R CB -1.061 29.239 30.300 0.001 0.000 0.871 35 R HN 0.458 nan 8.270 nan 0.000 0.435 36 A N 0.182 122.996 122.820 -0.010 0.000 2.168 36 A HA -0.007 4.313 4.320 -0.000 0.000 0.215 36 A C 1.887 179.468 177.584 -0.005 0.000 1.152 36 A CA 0.803 52.839 52.037 -0.002 0.000 0.716 36 A CB 0.026 19.010 19.000 -0.028 0.000 0.794 36 A HN 0.095 nan 8.150 nan 0.000 0.465 37 V N -0.542 119.346 119.914 -0.043 0.000 3.650 37 V HA 0.024 4.144 4.120 -0.000 0.000 0.271 37 V C 1.535 177.526 176.094 -0.171 0.000 1.281 37 V CA 0.981 63.201 62.300 -0.134 0.000 1.120 37 V CB -0.215 31.518 31.823 -0.151 0.000 0.856 37 V HN 0.604 nan 8.190 nan 0.000 0.443 38 E N -0.338 119.845 120.200 -0.029 0.000 2.476 38 E HA 0.055 4.405 4.350 -0.000 0.000 0.199 38 E C 1.640 178.281 176.600 0.069 0.000 1.021 38 E CA -0.127 56.306 56.400 0.055 0.000 0.907 38 E CB 0.346 30.084 29.700 0.064 0.000 0.974 38 E HN 0.517 nan 8.360 nan 0.000 0.489 39 K N 0.838 121.266 120.400 0.048 0.000 2.005 39 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 39 K C 2.135 178.777 176.600 0.070 0.000 1.044 39 K CA 0.862 57.185 56.287 0.061 0.000 0.942 39 K CB -0.300 32.240 32.500 0.067 0.000 0.727 39 K HN -0.013 nan 8.250 nan 0.000 0.439 40 Q N 1.116 120.951 119.800 0.058 0.000 2.234 40 Q HA -0.158 4.182 4.340 -0.000 0.000 0.206 40 Q C 1.838 177.892 176.000 0.089 0.000 0.980 40 Q CA 1.464 57.296 55.803 0.049 0.000 0.869 40 Q CB -0.129 28.631 28.738 0.038 0.000 0.912 40 Q HN 0.521 nan 8.270 nan 0.000 0.436 41 H N -1.488 117.597 119.070 0.026 0.000 2.326 41 H HA 0.025 4.581 4.556 -0.000 0.000 0.301 41 H C 1.554 176.889 175.328 0.010 0.000 1.081 41 H CA 0.630 56.687 56.048 0.016 0.000 1.334 41 H CB 0.145 29.918 29.762 0.018 0.000 1.385 41 H HN 0.422 nan 8.280 nan 0.000 0.504 42 A N 0.594 123.504 122.820 0.150 0.000 2.239 42 A HA -0.061 4.259 4.320 -0.000 0.000 0.209 42 A C 1.748 179.363 177.584 0.052 0.000 1.171 42 A CA 0.744 52.828 52.037 0.078 0.000 0.768 42 A CB -0.096 18.942 19.000 0.064 0.000 0.790 42 A HN 0.336 nan 8.150 nan 0.000 0.478 43 K N -1.653 118.779 120.400 0.054 0.000 2.379 43 K HA 0.258 4.577 4.320 -0.000 0.000 0.194 43 K C 1.144 177.759 176.600 0.025 0.000 1.031 43 K CA 0.538 56.841 56.287 0.027 0.000 1.037 43 K CB 0.199 32.702 32.500 0.005 0.000 0.824 43 K HN 0.561 nan 8.250 nan 0.000 0.516 44 G N 2.011 110.836 108.800 0.042 0.000 2.157 44 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.248 44 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.248 44 G C -0.417 174.507 174.900 0.039 0.000 0.979 44 G CA -0.088 45.031 45.100 0.030 0.000 0.650 44 G HN 0.223 nan 8.290 nan 0.000 0.529 45 K N 0.653 121.083 120.400 0.050 0.000 2.211 45 K HA 0.648 4.968 4.320 -0.000 0.000 0.275 45 K C 1.103 177.757 176.600 0.089 0.000 1.024 45 K CA -0.756 55.553 56.287 0.037 0.000 0.887 45 K CB 1.668 34.159 32.500 -0.015 0.000 1.084 45 K HN 0.213 nan 8.250 nan 0.000 0.463 46 L N 1.261 122.529 121.223 0.076 0.000 2.367 46 L HA 0.051 4.391 4.340 -0.000 0.000 0.215 46 L C 1.305 178.207 176.870 0.053 0.000 1.197 46 L CA 0.076 54.976 54.840 0.100 0.000 0.836 46 L CB -0.054 42.038 42.059 0.056 0.000 1.242 46 L HN 0.757 nan 8.230 nan 0.000 0.553 47 T N -2.877 111.694 114.554 0.028 0.000 2.881 47 T HA 0.436 4.786 4.350 -0.000 0.000 0.278 47 T C 0.728 175.423 174.700 -0.008 0.000 0.982 47 T CA -0.258 61.834 62.100 -0.013 0.000 0.989 47 T CB 1.526 70.364 68.868 -0.049 0.000 1.058 47 T HN 0.592 nan 8.240 nan 0.000 0.529 48 A N 0.544 123.363 122.820 -0.001 0.000 2.119 48 A HA 0.098 4.418 4.320 -0.000 0.000 0.217 48 A C 2.507 180.053 177.584 -0.063 0.000 1.153 48 A CA 0.749 52.788 52.037 0.002 0.000 0.692 48 A CB -0.618 18.415 19.000 0.055 0.000 0.799 48 A HN 0.888 nan 8.150 nan 0.000 0.458 49 R N -0.330 120.113 120.500 -0.095 0.000 2.055 49 R HA -0.026 4.314 4.340 -0.000 0.000 0.226 49 R C 2.047 178.252 176.300 -0.159 0.000 1.135 49 R CA 1.476 57.473 56.100 -0.173 0.000 0.959 49 R CB -0.220 29.976 30.300 -0.173 0.000 0.854 49 R HN 0.635 nan 8.270 nan 0.000 0.431 50 E N -0.047 120.098 120.200 -0.091 0.000 2.118 50 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 50 E C 2.054 178.616 176.600 -0.063 0.000 0.992 50 E CA 1.075 57.438 56.400 -0.061 0.000 0.804 50 E CB -0.017 29.681 29.700 -0.003 0.000 0.741 50 E HN 0.179 nan 8.360 nan 0.000 0.458 51 R N 0.621 121.088 120.500 -0.056 0.000 2.094 51 R HA -0.170 4.170 4.340 -0.000 0.000 0.239 51 R C 2.364 178.612 176.300 -0.087 0.000 1.137 51 R CA 1.582 57.650 56.100 -0.053 0.000 0.943 51 R CB -0.362 29.915 30.300 -0.039 0.000 0.850 51 R HN 0.201 nan 8.270 nan 0.000 0.433 52 I N 0.593 121.076 120.570 -0.145 0.000 2.208 52 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 52 I C 1.677 177.686 176.117 -0.179 0.000 1.097 52 I CA 1.247 62.424 61.300 -0.205 0.000 1.363 52 I CB -0.432 37.313 38.000 -0.426 0.000 1.051 52 I HN 0.204 nan 8.210 nan 0.000 0.413 53 D N 0.813 121.106 120.400 -0.178 0.000 2.116 53 D HA -0.187 4.453 4.640 -0.000 0.000 0.193 53 D C 2.072 178.331 176.300 -0.068 0.000 0.998 53 D CA 1.429 55.357 54.000 -0.120 0.000 0.836 53 D CB -0.204 40.536 40.800 -0.100 0.000 0.951 53 D HN 0.155 nan 8.370 nan 0.000 0.449 54 L N 0.098 121.287 121.223 -0.056 0.000 2.217 54 L HA -0.045 4.295 4.340 -0.000 0.000 0.211 54 L C 2.112 178.966 176.870 -0.028 0.000 1.107 54 L CA 0.598 55.418 54.840 -0.033 0.000 0.783 54 L CB -0.312 41.733 42.059 -0.022 0.000 0.919 54 L HN 0.037 nan 8.230 nan 0.000 0.442 55 L N -1.126 120.076 121.223 -0.035 0.000 2.007 55 L HA -0.022 4.318 4.340 -0.000 0.000 0.205 55 L C 0.819 177.679 176.870 -0.018 0.000 1.073 55 L CA 1.374 56.198 54.840 -0.027 0.000 0.744 55 L CB -0.124 41.916 42.059 -0.031 0.000 0.898 55 L HN -0.065 nan 8.230 nan 0.000 0.435 56 L N 1.028 122.245 121.223 -0.010 0.000 2.371 56 L HA 0.154 4.494 4.340 -0.000 0.000 0.272 56 L C -0.394 176.482 176.870 0.010 0.000 1.124 56 L CA -0.838 54.014 54.840 0.020 0.000 0.816 56 L CB 0.335 42.437 42.059 0.072 0.000 1.129 56 L HN 0.137 nan 8.230 nan 0.000 0.448 57 D N 2.704 123.112 120.400 0.014 0.000 2.472 57 D HA -0.057 4.583 4.640 -0.000 0.000 0.248 57 D C 0.365 176.674 176.300 0.014 0.000 1.174 57 D CA 0.346 54.350 54.000 0.007 0.000 0.883 57 D CB 0.436 41.240 40.800 0.007 0.000 1.149 57 D HN 0.436 nan 8.370 nan 0.000 0.488 58 E N 1.054 121.257 120.200 0.003 0.000 2.465 58 E HA 0.123 4.473 4.350 -0.000 0.000 0.260 58 E C 1.165 177.771 176.600 0.011 0.000 0.980 58 E CA 0.594 56.996 56.400 0.003 0.000 0.927 58 E CB 0.212 29.909 29.700 -0.005 0.000 0.934 58 E HN 0.622 nan 8.360 nan 0.000 0.459 59 G N 3.146 111.957 108.800 0.018 0.000 2.659 59 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.212 59 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.212 59 G C 1.185 176.106 174.900 0.034 0.000 1.226 59 G CA 0.834 45.947 45.100 0.021 0.000 0.739 59 G HN 0.884 nan 8.290 nan 0.000 0.528 60 S N 0.688 116.412 115.700 0.041 0.000 2.372 60 S HA -0.043 4.427 4.470 -0.000 0.000 0.227 60 S C 1.328 175.927 174.600 -0.001 0.000 1.044 60 S CA 1.405 59.626 58.200 0.035 0.000 1.050 60 S CB -0.525 62.708 63.200 0.056 0.000 0.901 60 S HN 1.516 nan 8.310 nan 0.000 0.447 61 F N 2.935 122.817 119.950 -0.113 0.000 2.623 61 F HA 0.338 4.865 4.527 -0.000 0.000 0.383 61 F C -0.518 175.114 175.800 -0.280 0.000 1.077 61 F CA -0.086 57.802 58.000 -0.186 0.000 1.268 61 F CB 0.451 39.367 39.000 -0.140 0.000 1.053 61 F HN -0.013 nan 8.300 nan 0.000 0.571 62 V N 6.937 126.072 119.914 -1.299 0.000 2.380 62 V HA 0.177 4.297 4.120 -0.000 0.000 0.286 62 V C -0.244 175.004 176.094 -1.409 0.000 1.015 62 V CA -0.945 60.636 62.300 -1.198 0.000 0.834 62 V CB 1.267 32.298 31.823 -1.321 0.000 1.009 62 V HN 0.732 nan 8.190 nan 0.000 0.428 63 E N 4.723 124.385 120.200 -0.897 0.000 2.223 63 E HA 0.470 4.820 4.350 -0.000 0.000 0.282 63 E C -1.030 175.365 176.600 -0.341 0.000 1.046 63 E CA -0.391 55.703 56.400 -0.510 0.000 0.857 63 E CB 0.896 30.619 29.700 0.039 0.000 1.055 63 E HN 0.577 nan 8.360 nan 0.000 0.409 64 L N 3.675 124.737 121.223 -0.268 0.000 2.360 64 L HA 0.236 4.576 4.340 -0.000 0.000 0.271 64 L C 0.110 176.917 176.870 -0.105 0.000 1.057 64 L CA -0.834 53.903 54.840 -0.172 0.000 0.803 64 L CB 0.990 42.958 42.059 -0.152 0.000 1.207 64 L HN 0.607 nan 8.230 nan 0.000 0.445 65 D N 1.162 121.515 120.400 -0.078 0.000 2.704 65 D HA -0.234 4.405 4.640 -0.000 0.000 0.232 65 D C 1.012 177.273 176.300 -0.065 0.000 1.183 65 D CA 1.157 55.135 54.000 -0.036 0.000 0.647 65 D CB -0.471 40.330 40.800 0.002 0.000 1.013 65 D HN 0.783 nan 8.370 nan 0.000 0.415 66 E N -0.817 119.258 120.200 -0.208 0.000 2.106 66 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 66 E C 0.849 177.280 176.600 -0.282 0.000 0.984 66 E CA 0.829 57.014 56.400 -0.358 0.000 0.806 66 E CB 0.105 29.378 29.700 -0.712 0.000 0.750 66 E HN 0.259 nan 8.360 nan 0.000 0.458 67 F N 0.685 120.662 119.950 0.044 0.000 2.983 67 F HA 0.421 4.948 4.527 -0.000 0.000 0.307 67 F C 0.228 176.163 175.800 0.226 0.000 1.218 67 F CA -0.602 57.467 58.000 0.116 0.000 1.323 67 F CB 0.060 39.008 39.000 -0.088 0.000 0.989 67 F HN -0.044 nan 8.300 nan 0.000 0.509 68 A N 1.020 124.016 122.820 0.294 0.000 2.322 68 A HA 0.821 5.141 4.320 -0.000 0.000 0.269 68 A C 0.393 178.097 177.584 0.200 0.000 1.094 68 A CA -0.323 51.839 52.037 0.208 0.000 0.807 68 A CB 0.643 19.723 19.000 0.133 0.000 1.047 68 A HN 0.502 nan 8.150 nan 0.000 0.487 69 R N 0.141 120.710 120.500 0.115 0.000 2.774 69 R HA 0.341 4.681 4.340 -0.000 0.000 0.272 69 R C -0.613 175.701 176.300 0.024 0.000 1.000 69 R CA -0.831 55.281 56.100 0.021 0.000 0.906 69 R CB 1.524 31.758 30.300 -0.109 0.000 1.227 69 R HN 1.029 nan 8.270 nan 0.000 0.468 70 H N 0.766 119.868 119.070 0.054 0.000 2.607 70 H HA 0.231 4.787 4.556 -0.000 0.000 0.367 70 H C -0.139 175.191 175.328 0.004 0.000 1.181 70 H CA -0.228 55.838 56.048 0.029 0.000 1.402 70 H CB 1.464 31.236 29.762 0.018 0.000 1.474 70 H HN 0.487 nan 8.280 nan 0.000 0.596 71 R N 0.738 121.381 120.500 0.238 0.000 2.282 71 R HA 0.040 4.380 4.340 -0.000 0.000 0.195 71 R C 0.656 177.091 176.300 0.225 0.000 0.909 71 R CA 0.133 56.321 56.100 0.147 0.000 1.039 71 R CB 0.460 30.798 30.300 0.064 0.000 1.015 71 R HN 0.588 nan 8.270 nan 0.000 0.513 72 S N 0.553 116.422 115.700 0.281 0.000 2.549 72 S HA 0.016 4.486 4.470 -0.000 0.000 0.279 72 S C 0.769 175.384 174.600 0.025 0.000 1.321 72 S CA -0.145 58.071 58.200 0.026 0.000 1.054 72 S CB 0.973 64.083 63.200 -0.151 0.000 0.899 72 S HN 0.339 nan 8.310 nan 0.000 0.497 73 T N 1.527 116.073 114.554 -0.014 0.000 3.293 73 T HA 0.339 4.689 4.350 -0.000 0.000 0.276 73 T C -0.210 174.435 174.700 -0.092 0.000 1.003 73 T CA -0.684 61.401 62.100 -0.025 0.000 0.916 73 T CB -0.979 67.881 68.868 -0.013 0.000 1.134 73 T HN 0.627 nan 8.240 nan 0.000 0.530 74 N N 1.395 120.023 118.700 -0.119 0.000 2.455 74 N HA 0.469 5.209 4.740 -0.000 0.000 0.280 74 N C -0.974 174.491 175.510 -0.075 0.000 1.055 74 N CA -1.025 51.909 53.050 -0.194 0.000 0.961 74 N CB 0.278 38.684 38.487 -0.135 0.000 1.121 74 N HN 0.145 nan 8.380 nan 0.000 0.476 75 F N 1.226 121.127 119.950 -0.080 0.000 3.027 75 F HA -0.196 4.331 4.527 -0.000 0.000 0.276 75 F C 1.476 177.228 175.800 -0.080 0.000 0.967 75 F CA 0.671 58.625 58.000 -0.077 0.000 0.929 75 F CB -2.161 36.785 39.000 -0.090 0.000 0.873 75 F HN 0.847 nan 8.300 nan 0.000 0.787 76 G N 0.546 109.367 108.800 0.035 0.000 2.422 76 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.301 76 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.301 76 G C 0.828 175.734 174.900 0.010 0.000 0.981 76 G CA 0.317 45.431 45.100 0.025 0.000 0.994 76 G HN 0.655 nan 8.290 nan 0.000 0.514 77 L N 0.465 121.655 121.223 -0.055 0.000 2.592 77 L HA 0.161 4.501 4.340 -0.000 0.000 0.227 77 L C 1.013 177.788 176.870 -0.158 0.000 1.127 77 L CA 1.327 56.051 54.840 -0.194 0.000 0.884 77 L CB 0.004 41.816 42.059 -0.411 0.000 1.065 77 L HN 0.496 nan 8.230 nan 0.000 0.457 78 D N -0.980 119.456 120.400 0.061 0.000 3.058 78 D HA 0.107 4.747 4.640 -0.000 0.000 0.272 78 D C 0.861 177.245 176.300 0.141 0.000 1.350 78 D CA 0.069 54.235 54.000 0.276 0.000 0.863 78 D CB 0.901 41.840 40.800 0.232 0.000 1.064 78 D HN 0.128 nan 8.370 nan 0.000 0.488 79 A N 0.747 123.645 122.820 0.130 0.000 2.140 79 A HA 0.117 4.437 4.320 -0.000 0.000 0.209 79 A C 0.553 178.207 177.584 0.116 0.000 1.181 79 A CA -0.045 52.050 52.037 0.096 0.000 0.824 79 A CB 0.196 19.239 19.000 0.073 0.000 0.879 79 A HN 0.238 nan 8.150 nan 0.000 0.480 80 N N 0.769 119.598 118.700 0.215 0.000 2.519 80 N HA 0.282 5.022 4.740 -0.000 0.000 0.286 80 N C -1.405 174.316 175.510 0.352 0.000 1.079 80 N CA -0.289 52.887 53.050 0.210 0.000 0.878 80 N CB 1.419 40.019 38.487 0.188 0.000 1.375 80 N HN 0.233 nan 8.380 nan 0.000 0.514 81 R N 1.759 122.304 120.500 0.075 0.000 2.575 81 R HA 0.347 4.687 4.340 -0.000 0.000 0.281 81 R C -2.536 173.661 176.300 -0.171 0.000 1.272 81 R CA -1.411 54.640 56.100 -0.082 0.000 1.417 81 R CB 0.693 30.729 30.300 -0.441 0.000 1.121 81 R HN 0.237 nan 8.270 nan 0.000 0.583 82 P HA 0.026 nan 4.420 nan 0.000 0.276 82 P C -0.685 176.584 177.300 -0.053 0.000 1.235 82 P CA -0.173 62.857 63.100 -0.117 0.000 0.772 82 P CB 0.391 32.007 31.700 -0.141 0.000 0.871 83 Y N 1.613 121.969 120.300 0.092 0.000 2.620 83 Y HA 0.250 4.800 4.550 -0.000 0.000 0.330 83 Y C 2.033 177.995 175.900 0.103 0.000 1.186 83 Y CA 1.657 59.843 58.100 0.143 0.000 1.467 83 Y CB 0.016 38.633 38.460 0.261 0.000 1.262 83 Y HN 0.780 nan 8.280 nan 0.000 0.550 84 G N 1.872 110.830 108.800 0.263 0.000 2.234 84 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.235 84 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.235 84 G C 0.213 175.223 174.900 0.184 0.000 0.997 84 G CA -0.016 45.183 45.100 0.165 0.000 0.623 84 G HN 0.796 nan 8.290 nan 0.000 0.514 85 D N -0.621 119.901 120.400 0.203 0.000 2.740 85 D HA 0.187 4.827 4.640 -0.000 0.000 0.231 85 D C 1.742 178.258 176.300 0.360 0.000 1.194 85 D CA 3.035 57.197 54.000 0.270 0.000 0.673 85 D CB -1.247 39.715 40.800 0.271 0.000 0.995 85 D HN 2.116 nan 8.370 nan 0.000 0.411 86 G N -1.369 107.592 108.800 0.269 0.000 2.155 86 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.257 86 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.257 86 G C 0.305 175.547 174.900 0.569 0.000 0.983 86 G CA 0.596 45.877 45.100 0.303 0.000 0.676 86 G HN 1.418 nan 8.290 nan 0.000 0.528 87 V N -0.647 119.503 119.914 0.394 0.000 2.852 87 V HA 0.613 4.733 4.120 -0.000 0.000 0.300 87 V C -0.540 175.612 176.094 0.098 0.000 1.205 87 V CA -0.499 61.922 62.300 0.203 0.000 0.940 87 V CB 2.296 33.955 31.823 -0.273 0.000 1.047 87 V HN 0.650 nan 8.190 nan 0.000 0.429 88 V N 5.857 125.835 119.914 0.108 0.000 2.407 88 V HA 0.769 4.889 4.120 -0.000 0.000 0.278 88 V C 0.326 176.512 176.094 0.153 0.000 1.037 88 V CA 0.307 62.663 62.300 0.094 0.000 0.900 88 V CB 1.465 33.303 31.823 0.025 0.000 0.983 88 V HN 1.093 nan 8.190 nan 0.000 0.459 89 T N 1.450 116.108 114.554 0.173 0.000 2.952 89 T HA 0.909 5.259 4.350 -0.000 0.000 0.305 89 T C -0.191 174.570 174.700 0.101 0.000 1.064 89 T CA 0.043 62.244 62.100 0.168 0.000 1.008 89 T CB 2.050 70.969 68.868 0.085 0.000 1.078 89 T HN 1.245 nan 8.240 nan 0.000 0.459 90 G N 1.021 109.846 108.800 0.042 0.000 2.392 90 G HA2 0.523 4.483 3.960 -0.000 0.000 0.260 90 G HA3 0.523 4.483 3.960 -0.000 0.000 0.260 90 G C -2.154 172.620 174.900 -0.209 0.000 1.226 90 G CA -0.287 44.631 45.100 -0.304 0.000 0.913 90 G HN 1.617 nan 8.290 nan 0.000 0.483 91 Y N -0.902 119.117 120.300 -0.468 0.000 2.479 91 Y HA 0.842 5.392 4.550 -0.000 0.000 0.338 91 Y C 0.087 175.863 175.900 -0.205 0.000 1.055 91 Y CA -0.483 57.466 58.100 -0.252 0.000 1.023 91 Y CB 1.498 39.755 38.460 -0.339 0.000 1.287 91 Y HN 1.610 nan 8.280 nan 0.000 0.447 92 G N 1.060 109.972 108.800 0.186 0.000 2.604 92 G HA2 0.553 4.512 3.960 -0.000 0.000 0.242 92 G HA3 0.553 4.512 3.960 -0.000 0.000 0.242 92 G C -1.369 173.624 174.900 0.154 0.000 1.208 92 G CA -0.396 44.802 45.100 0.163 0.000 0.912 92 G HN 1.124 nan 8.290 nan 0.000 0.502 93 T N -2.017 112.597 114.554 0.099 0.000 2.863 93 T HA 0.670 5.020 4.350 -0.000 0.000 0.285 93 T C -1.174 173.546 174.700 0.033 0.000 1.009 93 T CA -0.701 61.436 62.100 0.062 0.000 0.989 93 T CB 1.990 70.885 68.868 0.047 0.000 1.004 93 T HN 0.779 nan 8.240 nan 0.000 0.455 94 V N 3.286 123.205 119.914 0.008 0.000 2.349 94 V HA 0.368 4.488 4.120 -0.000 0.000 0.284 94 V C -0.245 175.823 176.094 -0.043 0.000 1.014 94 V CA -0.491 61.797 62.300 -0.020 0.000 0.826 94 V CB 0.739 32.542 31.823 -0.033 0.000 1.009 94 V HN 1.138 nan 8.190 nan 0.000 0.431 95 D N 4.097 124.471 120.400 -0.044 0.000 2.981 95 D HA -0.169 4.471 4.640 -0.000 0.000 0.223 95 D C 1.190 177.465 176.300 -0.041 0.000 1.151 95 D CA 1.515 55.482 54.000 -0.055 0.000 0.827 95 D CB -0.963 39.787 40.800 -0.084 0.000 1.101 95 D HN 1.395 nan 8.370 nan 0.000 0.426 96 G N 0.298 109.084 108.800 -0.023 0.000 2.246 96 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.273 96 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.273 96 G C 0.098 174.990 174.900 -0.014 0.000 1.055 96 G CA 0.784 45.876 45.100 -0.013 0.000 0.851 96 G HN 0.541 nan 8.290 nan 0.000 0.500 97 R N 0.086 120.577 120.500 -0.015 0.000 2.686 97 R HA 0.567 4.907 4.340 -0.000 0.000 0.283 97 R C -2.392 173.911 176.300 0.006 0.000 0.978 97 R CA -2.118 53.973 56.100 -0.014 0.000 0.897 97 R CB 2.224 32.501 30.300 -0.038 0.000 1.192 97 R HN 0.115 nan 8.270 nan 0.000 0.457 98 P HA -0.072 nan 4.420 nan 0.000 0.269 98 P C -0.644 176.690 177.300 0.056 0.000 1.200 98 P CA 0.076 63.206 63.100 0.050 0.000 0.779 98 P CB 0.631 32.345 31.700 0.023 0.000 0.841 99 V N -0.257 119.723 119.914 0.111 0.000 2.966 99 V HA 0.514 4.634 4.120 -0.000 0.000 0.288 99 V C -0.447 175.752 176.094 0.175 0.000 1.380 99 V CA -0.741 61.621 62.300 0.104 0.000 0.966 99 V CB 1.723 33.584 31.823 0.063 0.000 1.115 99 V HN 0.863 nan 8.190 nan 0.000 0.436 100 A N 3.019 125.947 122.820 0.180 0.000 2.340 100 A HA 0.984 5.304 4.320 -0.000 0.000 0.331 100 A C -1.087 176.586 177.584 0.148 0.000 1.140 100 A CA -0.809 51.357 52.037 0.214 0.000 0.801 100 A CB 2.010 21.200 19.000 0.317 0.000 1.234 100 A HN 1.430 nan 8.150 nan 0.000 0.469 101 V N 3.244 123.246 119.914 0.147 0.000 2.733 101 V HA 0.752 4.872 4.120 -0.000 0.000 0.306 101 V C -1.604 174.581 176.094 0.151 0.000 1.084 101 V CA -0.715 61.633 62.300 0.079 0.000 0.905 101 V CB 1.471 33.351 31.823 0.095 0.000 1.010 101 V HN 1.099 nan 8.190 nan 0.000 0.424 102 F N 3.829 123.823 119.950 0.074 0.000 2.546 102 F HA 0.901 5.428 4.527 -0.000 0.000 0.320 102 F C -0.292 175.530 175.800 0.037 0.000 1.076 102 F CA -0.769 57.255 58.000 0.040 0.000 0.928 102 F CB 2.228 41.224 39.000 -0.006 0.000 1.189 102 F HN 0.439 nan 8.300 nan 0.000 0.465 103 S N 2.485 118.327 115.700 0.237 0.000 2.789 103 S HA 0.313 4.783 4.470 -0.000 0.000 0.286 103 S C -1.125 173.620 174.600 0.242 0.000 1.153 103 S CA -0.621 57.675 58.200 0.161 0.000 1.084 103 S CB 0.670 63.886 63.200 0.026 0.000 1.036 103 S HN 0.806 nan 8.310 nan 0.000 0.484 104 Q N 2.486 122.489 119.800 0.338 0.000 2.337 104 Q HA 0.174 4.514 4.340 -0.000 0.000 0.270 104 Q C -0.672 175.501 176.000 0.288 0.000 1.002 104 Q CA -0.008 56.023 55.803 0.380 0.000 0.888 104 Q CB 0.572 29.587 28.738 0.463 0.000 1.222 104 Q HN 0.511 nan 8.270 nan 0.000 0.400 105 D N 2.023 122.593 120.400 0.283 0.000 2.443 105 D HA 0.053 4.693 4.640 -0.000 0.000 0.221 105 D C -0.419 175.983 176.300 0.169 0.000 1.097 105 D CA -0.370 53.740 54.000 0.184 0.000 0.865 105 D CB 0.348 41.221 40.800 0.122 0.000 1.034 105 D HN 0.493 nan 8.370 nan 0.000 0.511 106 F N 2.470 122.447 119.950 0.045 0.000 2.546 106 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 106 F C 2.096 177.891 175.800 -0.008 0.000 1.120 106 F CA 1.190 59.203 58.000 0.022 0.000 1.456 106 F CB 0.264 39.276 39.000 0.019 0.000 1.088 106 F HN 0.341 nan 8.300 nan 0.000 0.572 107 T N -2.061 112.509 114.554 0.028 0.000 3.206 107 T HA 0.316 4.666 4.350 -0.000 0.000 0.253 107 T C -0.054 174.562 174.700 -0.139 0.000 1.042 107 T CA -0.037 62.029 62.100 -0.056 0.000 0.931 107 T CB -0.658 68.203 68.868 -0.012 0.000 1.029 107 T HN -0.143 nan 8.240 nan 0.000 0.564 108 V N 2.275 122.087 119.914 -0.170 0.000 2.447 108 V HA 0.433 4.553 4.120 -0.000 0.000 0.292 108 V C -0.420 175.517 176.094 -0.262 0.000 1.021 108 V CA -1.066 61.052 62.300 -0.303 0.000 0.850 108 V CB 0.280 31.969 31.823 -0.222 0.000 1.005 108 V HN 0.427 nan 8.190 nan 0.000 0.426 109 F N 3.016 122.873 119.950 -0.156 0.000 3.090 109 F HA -0.229 4.298 4.527 -0.000 0.000 0.282 109 F C 1.693 177.318 175.800 -0.292 0.000 0.923 109 F CA 1.257 59.140 58.000 -0.195 0.000 0.977 109 F CB -1.744 37.150 39.000 -0.177 0.000 0.954 109 F HN 0.996 nan 8.300 nan 0.000 0.695 110 G N -0.823 107.792 108.800 -0.308 0.000 2.258 110 G HA2 0.114 4.074 3.960 -0.000 0.000 0.274 110 G HA3 0.114 4.074 3.960 -0.000 0.000 0.274 110 G C 1.419 175.961 174.900 -0.597 0.000 1.021 110 G CA 1.075 45.732 45.100 -0.738 0.000 0.798 110 G HN 2.250 nan 8.290 nan 0.000 0.507 111 G N -1.433 107.205 108.800 -0.271 0.000 2.283 111 G HA2 0.132 4.092 3.960 -0.000 0.000 0.280 111 G HA3 0.132 4.092 3.960 -0.000 0.000 0.280 111 G C 0.751 175.581 174.900 -0.117 0.000 1.029 111 G CA 1.134 46.187 45.100 -0.079 0.000 0.840 111 G HN 2.321 nan 8.290 nan 0.000 0.505 112 A N -0.579 122.137 122.820 -0.173 0.000 2.477 112 A HA 0.598 4.918 4.320 -0.000 0.000 0.246 112 A C 0.611 177.945 177.584 -0.416 0.000 1.078 112 A CA 0.078 52.007 52.037 -0.179 0.000 0.770 112 A CB 0.596 19.512 19.000 -0.141 0.000 1.011 112 A HN 1.417 nan 8.150 nan 0.000 0.494 113 L N 3.709 124.770 121.223 -0.270 0.000 2.278 113 L HA 0.585 4.925 4.340 -0.000 0.000 0.287 113 L C 0.741 177.427 176.870 -0.308 0.000 1.072 113 L CA 0.064 54.682 54.840 -0.369 0.000 0.819 113 L CB 0.530 42.809 42.059 0.366 0.000 1.176 113 L HN 0.787 nan 8.230 nan 0.000 0.435 114 G N 2.638 111.285 108.800 -0.255 0.000 2.828 114 G HA2 0.172 4.132 3.960 -0.000 0.000 0.244 114 G HA3 0.172 4.132 3.960 -0.000 0.000 0.244 114 G C 0.196 175.044 174.900 -0.086 0.000 1.365 114 G CA -0.083 44.917 45.100 -0.166 0.000 1.041 114 G HN 0.706 nan 8.290 nan 0.000 0.560 115 E N -1.428 118.730 120.200 -0.071 0.000 2.016 115 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 115 E C 2.531 179.135 176.600 0.008 0.000 0.985 115 E CA 1.085 57.452 56.400 -0.055 0.000 0.802 115 E CB -0.131 29.541 29.700 -0.046 0.000 0.762 115 E HN 0.149 nan 8.360 nan 0.000 0.448 116 V N 0.855 120.806 119.914 0.060 0.000 2.295 116 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 116 V C 2.190 178.333 176.094 0.081 0.000 1.049 116 V CA 2.069 64.412 62.300 0.072 0.000 1.024 116 V CB -0.895 30.988 31.823 0.099 0.000 0.648 116 V HN 0.430 nan 8.190 nan 0.000 0.447 117 Y N 1.997 122.297 120.300 0.001 0.000 2.073 117 Y HA -0.387 4.163 4.550 -0.000 0.000 0.270 117 Y C 2.303 178.169 175.900 -0.056 0.000 1.226 117 Y CA 2.359 60.456 58.100 -0.005 0.000 1.117 117 Y CB -0.885 37.579 38.460 0.007 0.000 0.939 117 Y HN 0.217 nan 8.280 nan 0.000 0.504 118 G N -1.061 107.777 108.800 0.064 0.000 2.402 118 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 118 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 118 G C 1.320 176.150 174.900 -0.118 0.000 1.162 118 G CA 0.849 45.896 45.100 -0.087 0.000 0.777 118 G HN 0.576 nan 8.290 nan 0.000 0.539 119 Q N -0.046 119.714 119.800 -0.066 0.000 2.472 119 Q HA 0.108 4.448 4.340 -0.000 0.000 0.208 119 Q C 2.264 178.236 176.000 -0.046 0.000 0.958 119 Q CA 0.405 56.178 55.803 -0.049 0.000 0.932 119 Q CB 0.096 28.821 28.738 -0.023 0.000 1.007 119 Q HN 0.423 nan 8.270 nan 0.000 0.508 120 K N 0.721 121.079 120.400 -0.071 0.000 2.031 120 K HA -0.047 4.273 4.320 -0.000 0.000 0.205 120 K C 1.834 178.377 176.600 -0.095 0.000 1.049 120 K CA 0.979 57.221 56.287 -0.075 0.000 0.939 120 K CB 0.061 32.506 32.500 -0.092 0.000 0.717 120 K HN 0.162 nan 8.250 nan 0.000 0.438 121 I N 0.815 121.270 120.570 -0.191 0.000 2.546 121 I HA -0.208 3.962 4.170 -0.000 0.000 0.255 121 I C 2.028 178.089 176.117 -0.092 0.000 1.163 121 I CA 0.644 61.814 61.300 -0.217 0.000 1.457 121 I CB -0.008 37.705 38.000 -0.479 0.000 1.092 121 I HN -0.072 nan 8.210 nan 0.000 0.434 122 V N 1.140 121.010 119.914 -0.072 0.000 2.453 122 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 122 V C 2.527 178.634 176.094 0.023 0.000 1.048 122 V CA 1.854 64.142 62.300 -0.021 0.000 1.049 122 V CB -0.598 31.206 31.823 -0.031 0.000 0.672 122 V HN 0.449 nan 8.190 nan 0.000 0.457 123 K N -0.157 120.254 120.400 0.018 0.000 2.097 123 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 123 K C 2.129 178.788 176.600 0.098 0.000 1.049 123 K CA 1.621 57.938 56.287 0.048 0.000 0.933 123 K CB -0.190 32.323 32.500 0.023 0.000 0.717 123 K HN 0.273 nan 8.250 nan 0.000 0.442 124 V N 1.446 121.416 119.914 0.095 0.000 2.323 124 V HA -0.225 3.895 4.120 -0.000 0.000 0.244 124 V C 2.326 178.554 176.094 0.223 0.000 1.041 124 V CA 1.746 64.143 62.300 0.161 0.000 1.025 124 V CB -0.245 31.674 31.823 0.160 0.000 0.656 124 V HN 0.408 nan 8.190 nan 0.000 0.451 125 M N -0.460 119.241 119.600 0.169 0.000 2.089 125 M HA -0.262 4.218 4.480 -0.000 0.000 0.257 125 M C 1.879 178.264 176.300 0.141 0.000 1.071 125 M CA 2.368 57.762 55.300 0.157 0.000 1.096 125 M CB -0.836 31.833 32.600 0.115 0.000 1.330 125 M HN 0.341 nan 8.290 nan 0.000 0.403 126 D N -0.228 120.248 120.400 0.126 0.000 2.178 126 D HA -0.120 4.520 4.640 -0.000 0.000 0.202 126 D C 1.657 178.028 176.300 0.118 0.000 0.974 126 D CA 1.046 55.108 54.000 0.103 0.000 0.841 126 D CB -0.377 40.474 40.800 0.085 0.000 0.953 126 D HN 0.322 nan 8.370 nan 0.000 0.478 127 F N 1.646 121.610 119.950 0.024 0.000 2.186 127 F HA -0.103 4.424 4.527 -0.000 0.000 0.299 127 F C 2.154 177.956 175.800 0.004 0.000 1.090 127 F CA 1.296 59.298 58.000 0.004 0.000 1.307 127 F CB -0.080 38.924 39.000 0.005 0.000 1.019 127 F HN -0.071 nan 8.300 nan 0.000 0.489 128 A N 0.963 123.863 122.820 0.133 0.000 1.845 128 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 128 A C 2.272 179.832 177.584 -0.040 0.000 1.195 128 A CA 1.971 54.032 52.037 0.039 0.000 0.616 128 A CB -1.289 17.791 19.000 0.134 0.000 0.832 128 A HN 0.472 nan 8.150 nan 0.000 0.443 129 L N -0.640 120.591 121.223 0.013 0.000 2.079 129 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 129 L C 2.612 179.458 176.870 -0.040 0.000 1.081 129 L CA 1.929 56.777 54.840 0.014 0.000 0.752 129 L CB -0.482 41.610 42.059 0.054 0.000 0.896 129 L HN 0.513 nan 8.230 nan 0.000 0.433 130 K N 0.366 120.711 120.400 -0.093 0.000 1.965 130 K HA -0.194 4.126 4.320 -0.000 0.000 0.214 130 K C 1.830 178.313 176.600 -0.195 0.000 1.046 130 K CA 2.133 58.335 56.287 -0.141 0.000 0.944 130 K CB -0.189 32.203 32.500 -0.180 0.000 0.726 130 K HN 0.336 nan 8.250 nan 0.000 0.441 131 T N -1.977 112.367 114.554 -0.350 0.000 3.219 131 T HA 0.195 4.545 4.350 -0.000 0.000 0.249 131 T C 0.701 175.270 174.700 -0.217 0.000 1.099 131 T CA 0.242 62.132 62.100 -0.350 0.000 0.988 131 T CB -0.146 68.351 68.868 -0.618 0.000 0.999 131 T HN 0.488 nan 8.240 nan 0.000 0.550 132 G N 1.416 110.129 108.800 -0.145 0.000 2.363 132 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.286 132 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.286 132 G C 0.174 175.042 174.900 -0.054 0.000 0.975 132 G CA -0.047 45.015 45.100 -0.064 0.000 1.309 132 G HN 1.589 nan 8.290 nan 0.000 0.491 133 C N -0.633 118.642 119.300 -0.042 0.000 3.173 133 C HA 0.945 5.405 4.460 -0.000 0.000 0.310 133 C C -2.739 172.262 174.990 0.019 0.000 1.306 133 C CA -2.350 56.659 59.018 -0.015 0.000 1.426 133 C CB 1.882 29.616 27.740 -0.010 0.000 1.800 133 C HN 0.326 nan 8.230 nan 0.000 0.470 134 P HA 0.390 nan 4.420 nan 0.000 0.279 134 P C -0.852 176.476 177.300 0.045 0.000 1.239 134 P CA -0.102 62.997 63.100 -0.001 0.000 0.789 134 P CB 0.906 32.569 31.700 -0.062 0.000 0.933 135 V N 4.607 124.562 119.914 0.068 0.000 2.357 135 V HA 0.193 4.313 4.120 -0.000 0.000 0.284 135 V C 0.046 176.166 176.094 0.044 0.000 1.018 135 V CA -0.516 61.842 62.300 0.097 0.000 0.841 135 V CB 1.805 33.730 31.823 0.170 0.000 0.991 135 V HN 0.210 nan 8.190 nan 0.000 0.437 136 V N 4.891 124.783 119.914 -0.037 0.000 2.277 136 V HA 0.511 4.631 4.120 -0.000 0.000 0.269 136 V C 0.875 176.731 176.094 -0.397 0.000 1.036 136 V CA -0.306 61.920 62.300 -0.122 0.000 0.821 136 V CB 1.349 33.120 31.823 -0.085 0.000 1.052 136 V HN 0.910 nan 8.190 nan 0.000 0.462 137 G N 5.431 113.925 108.800 -0.510 0.000 2.327 137 G HA2 0.607 4.567 3.960 -0.000 0.000 0.302 137 G HA3 0.607 4.567 3.960 -0.000 0.000 0.302 137 G C -0.485 173.974 174.900 -0.735 0.000 1.113 137 G CA -0.381 43.810 45.100 -1.515 0.000 0.921 137 G HN 0.649 nan 8.290 nan 0.000 0.425 138 I N 2.570 122.682 120.570 -0.763 0.000 2.306 138 I HA 0.138 4.308 4.170 -0.000 0.000 0.288 138 I C -0.355 175.829 176.117 0.112 0.000 1.036 138 I CA -0.580 60.619 61.300 -0.169 0.000 1.221 138 I CB 1.025 38.946 38.000 -0.131 0.000 1.385 138 I HN 0.358 nan 8.210 nan 0.000 0.472 139 N N 5.108 123.898 118.700 0.151 0.000 2.426 139 N HA 0.405 5.145 4.740 -0.000 0.000 0.275 139 N C -1.050 174.552 175.510 0.152 0.000 1.019 139 N CA -0.455 52.729 53.050 0.224 0.000 0.941 139 N CB 1.065 39.666 38.487 0.190 0.000 1.123 139 N HN 0.417 nan 8.380 nan 0.000 0.486 140 D N 0.914 121.433 120.400 0.199 0.000 2.452 140 D HA 0.303 4.943 4.640 -0.000 0.000 0.226 140 D C -1.720 174.758 176.300 0.297 0.000 1.366 140 D CA -0.266 53.838 54.000 0.173 0.000 0.986 140 D CB 0.791 41.682 40.800 0.151 0.000 1.420 140 D HN 0.303 nan 8.370 nan 0.000 0.583 141 S N 1.873 117.736 115.700 0.272 0.000 2.584 141 S HA 0.519 4.989 4.470 -0.000 0.000 0.280 141 S C 1.089 175.824 174.600 0.225 0.000 1.162 141 S CA -0.051 58.314 58.200 0.276 0.000 0.951 141 S CB 0.974 64.295 63.200 0.202 0.000 1.108 141 S HN 0.411 nan 8.310 nan 0.000 0.464 142 G N 2.476 111.428 108.800 0.253 0.000 2.462 142 G HA2 0.402 4.362 3.960 -0.000 0.000 0.220 142 G HA3 0.402 4.362 3.960 -0.000 0.000 0.220 142 G C 1.001 175.935 174.900 0.056 0.000 1.121 142 G CA 0.751 45.955 45.100 0.173 0.000 0.758 142 G HN 1.711 nan 8.290 nan 0.000 0.559 143 G N -1.773 107.053 108.800 0.043 0.000 2.325 143 G HA2 0.500 4.460 3.960 -0.000 0.000 0.285 143 G HA3 0.500 4.460 3.960 -0.000 0.000 0.285 143 G C -0.390 174.563 174.900 0.088 0.000 1.303 143 G CA -0.248 44.872 45.100 0.033 0.000 0.970 143 G HN 1.139 nan 8.290 nan 0.000 0.490 144 A N -0.098 122.808 122.820 0.142 0.000 2.477 144 A HA 0.610 4.930 4.320 -0.000 0.000 0.246 144 A C 0.935 178.520 177.584 0.001 0.000 1.078 144 A CA 0.509 52.655 52.037 0.181 0.000 0.770 144 A CB 0.172 19.323 19.000 0.252 0.000 1.011 144 A HN 0.945 nan 8.150 nan 0.000 0.494 145 R N 3.174 123.621 120.500 -0.089 0.000 2.609 145 R HA 0.126 4.466 4.340 -0.000 0.000 0.271 145 R C 0.981 177.187 176.300 -0.158 0.000 1.403 145 R CA -0.131 55.868 56.100 -0.167 0.000 1.138 145 R CB -0.470 29.675 30.300 -0.259 0.000 1.142 145 R HN 0.857 nan 8.270 nan 0.000 0.559 146 I N 3.266 123.757 120.570 -0.132 0.000 2.113 146 I HA -0.413 3.757 4.170 -0.000 0.000 0.242 146 I C 1.504 177.560 176.117 -0.102 0.000 1.064 146 I CA 1.845 63.076 61.300 -0.114 0.000 1.320 146 I CB 0.148 38.057 38.000 -0.151 0.000 1.028 146 I HN 0.633 nan 8.210 nan 0.000 0.406 147 Q N 0.830 120.550 119.800 -0.135 0.000 2.165 147 Q HA -0.349 3.991 4.340 -0.000 0.000 0.215 147 Q C 2.040 178.073 176.000 0.055 0.000 1.010 147 Q CA 2.892 58.712 55.803 0.028 0.000 0.896 147 Q CB -0.526 28.162 28.738 -0.084 0.000 0.956 147 Q HN 0.668 nan 8.270 nan 0.000 0.413 148 E N -0.616 119.541 120.200 -0.072 0.000 2.160 148 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 148 E C 1.325 177.910 176.600 -0.024 0.000 0.991 148 E CA 0.356 56.712 56.400 -0.074 0.000 0.810 148 E CB -0.287 29.338 29.700 -0.124 0.000 0.742 148 E HN 0.451 nan 8.360 nan 0.000 0.466 149 G N 0.613 109.410 108.800 -0.005 0.000 2.583 149 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.292 149 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.292 149 G C 1.207 176.094 174.900 -0.021 0.000 1.203 149 G CA 1.438 46.541 45.100 0.006 0.000 0.987 149 G HN 0.467 nan 8.290 nan 0.000 0.554 150 V N -1.170 118.737 119.914 -0.011 0.000 2.317 150 V HA -0.011 4.109 4.120 -0.000 0.000 0.251 150 V C 3.290 179.354 176.094 -0.050 0.000 1.065 150 V CA 3.555 65.844 62.300 -0.017 0.000 1.049 150 V CB -1.823 29.994 31.823 -0.010 0.000 0.651 150 V HN 2.315 nan 8.190 nan 0.000 0.450 151 A N 1.202 123.985 122.820 -0.062 0.000 2.076 151 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 151 A C 2.543 180.040 177.584 -0.145 0.000 1.160 151 A CA 2.409 54.395 52.037 -0.085 0.000 0.653 151 A CB -0.818 18.139 19.000 -0.072 0.000 0.801 151 A HN 0.995 nan 8.150 nan 0.000 0.455 152 S N -0.316 115.281 115.700 -0.171 0.000 2.395 152 S HA 0.017 4.487 4.470 -0.000 0.000 0.225 152 S C 1.865 176.210 174.600 -0.424 0.000 1.027 152 S CA 0.977 58.990 58.200 -0.312 0.000 0.965 152 S CB -0.625 62.430 63.200 -0.242 0.000 0.812 152 S HN 0.455 nan 8.310 nan 0.000 0.482 153 L N 1.317 122.442 121.223 -0.162 0.000 2.046 153 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 153 L C 2.919 179.733 176.870 -0.092 0.000 1.077 153 L CA 1.360 56.183 54.840 -0.029 0.000 0.747 153 L CB -1.141 40.946 42.059 0.046 0.000 0.896 153 L HN 0.555 nan 8.230 nan 0.000 0.432 154 G N -0.928 107.805 108.800 -0.111 0.000 2.650 154 G HA2 0.000 3.960 3.960 -0.000 0.000 0.214 154 G HA3 0.000 3.960 3.960 -0.000 0.000 0.214 154 G C 1.698 176.513 174.900 -0.142 0.000 1.136 154 G CA 0.657 45.699 45.100 -0.096 0.000 0.789 154 G HN 0.431 nan 8.290 nan 0.000 0.536 155 A N 0.603 123.287 122.820 -0.226 0.000 1.854 155 A HA 0.089 4.409 4.320 -0.000 0.000 0.214 155 A C 2.124 179.543 177.584 -0.275 0.000 1.192 155 A CA 1.193 53.075 52.037 -0.258 0.000 0.611 155 A CB -0.594 18.212 19.000 -0.324 0.000 0.832 155 A HN 0.290 nan 8.150 nan 0.000 0.442 156 Y N 0.352 120.481 120.300 -0.284 0.000 2.097 156 Y HA -0.133 4.417 4.550 -0.000 0.000 0.282 156 Y C 2.851 178.240 175.900 -0.851 0.000 1.152 156 Y CA 0.596 58.331 58.100 -0.609 0.000 1.136 156 Y CB -1.479 36.596 38.460 -0.642 0.000 0.975 156 Y HN 0.293 nan 8.280 nan 0.000 0.498 157 G N -0.145 108.437 108.800 -0.364 0.000 2.503 157 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.221 157 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.221 157 G C 1.537 176.370 174.900 -0.112 0.000 1.131 157 G CA 1.328 46.315 45.100 -0.187 0.000 0.756 157 G HN 0.374 nan 8.290 nan 0.000 0.572 158 E N -0.260 119.861 120.200 -0.131 0.000 2.385 158 E HA 0.108 4.458 4.350 -0.000 0.000 0.194 158 E C 2.468 179.028 176.600 -0.067 0.000 1.013 158 E CA -0.018 56.333 56.400 -0.082 0.000 0.866 158 E CB 0.199 29.852 29.700 -0.078 0.000 0.832 158 E HN 0.535 nan 8.360 nan 0.000 0.500 159 I N 0.375 120.886 120.570 -0.098 0.000 2.333 159 I HA -0.201 3.969 4.170 -0.000 0.000 0.246 159 I C 1.930 178.143 176.117 0.160 0.000 1.106 159 I CA 0.703 61.995 61.300 -0.012 0.000 1.411 159 I CB -0.164 37.811 38.000 -0.041 0.000 1.082 159 I HN -0.039 nan 8.210 nan 0.000 0.420 160 F N 1.043 121.021 119.950 0.047 0.000 2.161 160 F HA -0.169 4.358 4.527 -0.000 0.000 0.300 160 F C 2.652 178.456 175.800 0.007 0.000 1.089 160 F CA 1.201 59.226 58.000 0.042 0.000 1.282 160 F CB -1.130 37.903 39.000 0.055 0.000 1.010 160 F HN 0.027 nan 8.300 nan 0.000 0.485 161 R N 0.551 121.137 120.500 0.144 0.000 2.075 161 R HA -0.070 4.270 4.340 -0.000 0.000 0.232 161 R C 2.032 178.257 176.300 -0.126 0.000 1.126 161 R CA 1.178 57.260 56.100 -0.031 0.000 0.963 161 R CB -0.051 30.167 30.300 -0.136 0.000 0.858 161 R HN 0.152 nan 8.270 nan 0.000 0.435 162 R N -0.360 120.104 120.500 -0.060 0.000 2.310 162 R HA 0.085 4.425 4.340 -0.000 0.000 0.202 162 R C 1.276 177.637 176.300 0.101 0.000 0.933 162 R CA 0.517 56.613 56.100 -0.007 0.000 1.054 162 R CB -0.015 30.285 30.300 0.001 0.000 0.985 162 R HN 0.407 nan 8.270 nan 0.000 0.489 163 N N -0.348 118.432 118.700 0.133 0.000 2.250 163 N HA -0.064 4.676 4.740 -0.000 0.000 0.181 163 N C 1.072 176.664 175.510 0.136 0.000 1.017 163 N CA 1.151 54.293 53.050 0.153 0.000 0.866 163 N CB 0.243 38.837 38.487 0.179 0.000 0.985 163 N HN 0.015 nan 8.380 nan 0.000 0.429 164 T N -0.668 113.968 114.554 0.136 0.000 2.978 164 T HA 0.016 4.366 4.350 -0.000 0.000 0.262 164 T C 1.325 176.142 174.700 0.196 0.000 1.063 164 T CA 0.643 62.822 62.100 0.131 0.000 1.140 164 T CB -0.152 68.786 68.868 0.117 0.000 0.886 164 T HN 0.354 nan 8.240 nan 0.000 0.470 165 H N 0.788 119.884 119.070 0.043 0.000 2.357 165 H HA 0.084 4.640 4.556 -0.000 0.000 0.301 165 H C 2.607 177.959 175.328 0.041 0.000 1.082 165 H CA 0.890 56.959 56.048 0.035 0.000 1.342 165 H CB 0.060 29.847 29.762 0.041 0.000 1.389 165 H HN 0.355 nan 8.280 nan 0.000 0.511 166 A N 0.892 123.828 122.820 0.195 0.000 2.019 166 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 166 A C 1.628 179.286 177.584 0.123 0.000 1.164 166 A CA 0.661 52.787 52.037 0.148 0.000 0.644 166 A CB -0.327 18.767 19.000 0.157 0.000 0.805 166 A HN 0.276 nan 8.150 nan 0.000 0.449 167 S N -0.102 115.659 115.700 0.102 0.000 2.507 167 S HA 0.385 4.855 4.470 -0.000 0.000 0.299 167 S C 1.127 175.722 174.600 -0.008 0.000 1.214 167 S CA 0.795 59.039 58.200 0.074 0.000 1.137 167 S CB -0.619 62.611 63.200 0.049 0.000 1.009 167 S HN 1.906 nan 8.310 nan 0.000 0.512 168 G N 2.761 111.525 108.800 -0.060 0.000 2.159 168 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.227 168 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.227 168 G C 0.426 175.121 174.900 -0.341 0.000 0.986 168 G CA 0.117 44.984 45.100 -0.388 0.000 0.651 168 G HN 0.864 nan 8.290 nan 0.000 0.523 169 V N 0.425 120.338 119.914 -0.003 0.000 2.870 169 V HA 0.454 4.574 4.120 -0.000 0.000 0.232 169 V C 1.159 177.478 176.094 0.375 0.000 1.161 169 V CA 1.629 63.997 62.300 0.114 0.000 1.204 169 V CB 0.204 32.078 31.823 0.084 0.000 1.003 169 V HN 0.733 nan 8.190 nan 0.000 0.499 170 I N -1.124 119.663 120.570 0.361 0.000 2.436 170 I HA 0.603 4.773 4.170 -0.000 0.000 0.289 170 I C -3.030 173.210 176.117 0.206 0.000 1.010 170 I CA -2.609 58.852 61.300 0.270 0.000 1.098 170 I CB 1.922 39.998 38.000 0.128 0.000 1.266 170 I HN 0.015 nan 8.210 nan 0.000 0.434 171 P HA 0.071 nan 4.420 nan 0.000 0.262 171 P C -1.230 176.074 177.300 0.006 0.000 1.182 171 P CA 0.292 63.237 63.100 -0.258 0.000 0.761 171 P CB 0.404 31.796 31.700 -0.513 0.000 0.795 172 Q N 2.712 122.574 119.800 0.103 0.000 2.327 172 Q HA 0.544 4.883 4.340 -0.000 0.000 0.270 172 Q C -0.625 175.462 176.000 0.144 0.000 1.022 172 Q CA -0.322 55.560 55.803 0.132 0.000 0.773 172 Q CB 1.536 30.372 28.738 0.164 0.000 1.251 172 Q HN 0.426 nan 8.270 nan 0.000 0.457 173 I N 1.672 122.312 120.570 0.118 0.000 2.439 173 I HA 0.286 4.456 4.170 -0.000 0.000 0.285 173 I C -0.514 175.662 176.117 0.097 0.000 1.021 173 I CA -0.561 60.819 61.300 0.133 0.000 1.091 173 I CB 2.075 40.131 38.000 0.093 0.000 1.242 173 I HN 0.421 nan 8.210 nan 0.000 0.439 174 S N 6.914 122.696 115.700 0.136 0.000 2.422 174 S HA 0.436 4.906 4.470 -0.000 0.000 0.308 174 S C -0.482 174.179 174.600 0.100 0.000 1.097 174 S CA -0.451 57.817 58.200 0.114 0.000 1.099 174 S CB 1.118 64.405 63.200 0.144 0.000 0.976 174 S HN 0.411 nan 8.310 nan 0.000 0.471 175 L N 5.764 127.016 121.223 0.048 0.000 2.264 175 L HA 0.522 4.862 4.340 -0.000 0.000 0.287 175 L C -0.954 175.943 176.870 0.043 0.000 1.039 175 L CA -0.317 54.553 54.840 0.049 0.000 0.829 175 L CB 0.721 42.793 42.059 0.023 0.000 1.211 175 L HN 0.401 nan 8.230 nan 0.000 0.427 176 V N 6.487 126.429 119.914 0.046 0.000 2.288 176 V HA 0.207 4.327 4.120 -0.000 0.000 0.266 176 V C 0.762 176.864 176.094 0.013 0.000 1.048 176 V CA -0.196 62.126 62.300 0.036 0.000 0.842 176 V CB 0.869 32.706 31.823 0.023 0.000 1.064 176 V HN 0.672 nan 8.190 nan 0.000 0.472 177 V N 1.409 121.331 119.914 0.013 0.000 3.319 177 V HA 0.752 4.872 4.120 -0.000 0.000 0.317 177 V C 0.843 176.918 176.094 -0.032 0.000 1.411 177 V CA 0.617 62.913 62.300 -0.007 0.000 1.112 177 V CB -0.227 31.597 31.823 0.002 0.000 1.031 177 V HN 0.778 nan 8.190 nan 0.000 0.448 178 G N 0.078 108.862 108.800 -0.026 0.000 2.793 178 G HA2 0.619 4.579 3.960 -0.000 0.000 0.248 178 G HA3 0.619 4.579 3.960 -0.000 0.000 0.248 178 G C -3.485 171.408 174.900 -0.012 0.000 1.198 178 G CA -1.062 43.993 45.100 -0.075 0.000 0.865 178 G HN 0.116 nan 8.290 nan 0.000 0.534 179 P HA 0.489 nan 4.420 nan 0.000 0.282 179 P C -0.948 176.340 177.300 -0.021 0.000 1.259 179 P CA -0.311 62.786 63.100 -0.005 0.000 0.826 179 P CB 1.821 33.520 31.700 -0.001 0.000 1.064 180 C N 2.631 121.858 119.300 -0.122 0.000 3.430 180 C HA 0.725 5.185 4.460 -0.000 0.000 0.268 180 C C -0.227 174.563 174.990 -0.334 0.000 1.101 180 C CA -0.034 58.890 59.018 -0.157 0.000 1.286 180 C CB -1.459 26.217 27.740 -0.107 0.000 1.795 180 C HN 0.632 nan 8.230 nan 0.000 0.569 181 A N 2.547 125.153 122.820 -0.357 0.000 2.294 181 A HA 0.946 5.266 4.320 -0.000 0.000 0.330 181 A C 0.874 178.293 177.584 -0.275 0.000 1.133 181 A CA 0.796 52.534 52.037 -0.498 0.000 0.836 181 A CB 0.488 19.218 19.000 -0.450 0.000 1.190 181 A HN 2.481 nan 8.150 nan 0.000 0.492 182 G N 0.219 108.896 108.800 -0.205 0.000 2.601 182 G HA2 0.091 4.051 3.960 -0.000 0.000 0.252 182 G HA3 0.091 4.051 3.960 -0.000 0.000 0.252 182 G C 1.212 176.018 174.900 -0.157 0.000 1.294 182 G CA 0.522 45.564 45.100 -0.097 0.000 0.912 182 G HN 2.010 nan 8.290 nan 0.000 0.574 183 G N -0.197 108.579 108.800 -0.040 0.000 2.475 183 G HA2 0.173 4.133 3.960 -0.000 0.000 0.220 183 G HA3 0.173 4.133 3.960 -0.000 0.000 0.220 183 G C 2.249 177.129 174.900 -0.033 0.000 1.125 183 G CA 3.098 48.238 45.100 0.067 0.000 0.755 183 G HN 2.108 nan 8.290 nan 0.000 0.565 184 A N 0.748 123.429 122.820 -0.231 0.000 1.954 184 A HA -0.190 4.130 4.320 -0.000 0.000 0.222 184 A C 2.739 180.227 177.584 -0.159 0.000 1.199 184 A CA 3.120 54.993 52.037 -0.274 0.000 0.657 184 A CB -1.074 17.722 19.000 -0.339 0.000 0.823 184 A HN 1.110 nan 8.150 nan 0.000 0.463 185 V N -4.392 115.316 119.914 -0.343 0.000 2.688 185 V HA -0.225 3.895 4.120 -0.000 0.000 0.256 185 V C 1.933 177.792 176.094 -0.392 0.000 1.084 185 V CA 1.832 63.883 62.300 -0.416 0.000 1.103 185 V CB -1.433 30.035 31.823 -0.590 0.000 0.688 185 V HN 0.550 nan 8.190 nan 0.000 0.480 186 Y N 0.543 120.709 120.300 -0.224 0.000 2.462 186 Y HA 0.352 4.902 4.550 -0.000 0.000 0.293 186 Y C 2.597 178.163 175.900 -0.556 0.000 1.195 186 Y CA 0.396 58.243 58.100 -0.422 0.000 1.276 186 Y CB -0.396 37.734 38.460 -0.549 0.000 1.082 186 Y HN 0.339 nan 8.280 nan 0.000 0.514 187 S N 0.514 116.154 115.700 -0.100 0.000 2.384 187 S HA 0.052 4.522 4.470 -0.000 0.000 0.217 187 S C -0.675 173.984 174.600 0.098 0.000 1.041 187 S CA 0.408 58.691 58.200 0.140 0.000 0.948 187 S CB -0.746 62.705 63.200 0.419 0.000 0.872 187 S HN 0.128 nan 8.310 nan 0.000 0.512 188 P HA 0.168 nan 4.420 nan 0.000 0.223 188 P C 1.181 178.506 177.300 0.042 0.000 1.151 188 P CA 1.097 64.243 63.100 0.077 0.000 0.787 188 P CB -0.157 31.563 31.700 0.033 0.000 0.788 189 A N -0.183 122.638 122.820 0.002 0.000 1.858 189 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 189 A C 2.142 179.733 177.584 0.012 0.000 1.190 189 A CA 1.427 53.466 52.037 0.003 0.000 0.617 189 A CB -1.622 17.403 19.000 0.041 0.000 0.827 189 A HN 0.074 nan 8.150 nan 0.000 0.443 190 I N 0.824 121.397 120.570 0.005 0.000 2.113 190 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 190 I C 1.598 177.744 176.117 0.049 0.000 1.064 190 I CA 1.431 62.740 61.300 0.016 0.000 1.320 190 I CB -0.907 37.108 38.000 0.026 0.000 1.028 190 I HN 0.504 nan 8.210 nan 0.000 0.406 191 T N -0.998 113.605 114.554 0.082 0.000 2.946 191 T HA -0.088 4.262 4.350 -0.000 0.000 0.312 191 T C 0.858 175.605 174.700 0.079 0.000 1.066 191 T CA -0.390 61.775 62.100 0.109 0.000 1.138 191 T CB 0.594 69.548 68.868 0.144 0.000 1.014 191 T HN 0.160 nan 8.240 nan 0.000 0.544 192 D N 1.359 121.790 120.400 0.053 0.000 2.106 192 D HA -0.052 4.588 4.640 -0.000 0.000 0.191 192 D C 0.107 176.174 176.300 -0.388 0.000 0.997 192 D CA 1.634 55.534 54.000 -0.166 0.000 0.834 192 D CB -0.084 40.675 40.800 -0.069 0.000 0.956 192 D HN 0.622 nan 8.370 nan 0.000 0.448 193 F N -0.444 119.566 119.950 0.100 0.000 2.557 193 F HA 0.289 4.816 4.527 -0.000 0.000 0.316 193 F C -0.160 175.717 175.800 0.127 0.000 1.141 193 F CA -0.706 57.176 58.000 -0.196 0.000 0.922 193 F CB 2.263 41.023 39.000 -0.400 0.000 1.194 193 F HN -0.471 nan 8.300 nan 0.000 0.443 194 T N 3.235 118.156 114.554 0.613 0.000 2.786 194 T HA 0.527 4.877 4.350 -0.000 0.000 0.283 194 T C -0.988 173.907 174.700 0.324 0.000 0.992 194 T CA -0.633 61.684 62.100 0.362 0.000 0.954 194 T CB 1.491 70.492 68.868 0.222 0.000 0.934 194 T HN 0.486 nan 8.240 nan 0.000 0.440 195 V N 5.536 125.575 119.914 0.208 0.000 2.448 195 V HA 0.769 4.889 4.120 -0.000 0.000 0.295 195 V C -0.846 175.287 176.094 0.064 0.000 1.025 195 V CA -0.719 61.666 62.300 0.141 0.000 0.859 195 V CB 1.027 32.955 31.823 0.175 0.000 0.988 195 V HN 0.904 nan 8.190 nan 0.000 0.431 196 M N 5.310 124.911 119.600 0.003 0.000 2.796 196 M HA 0.715 5.195 4.480 -0.000 0.000 0.303 196 M C -1.254 175.000 176.300 -0.076 0.000 1.240 196 M CA -1.066 54.216 55.300 -0.030 0.000 0.831 196 M CB 2.517 35.097 32.600 -0.034 0.000 1.750 196 M HN 0.408 nan 8.290 nan 0.000 0.484 197 V N 0.802 120.668 119.914 -0.080 0.000 2.447 197 V HA 0.180 4.300 4.120 -0.000 0.000 0.292 197 V C -0.878 175.153 176.094 -0.105 0.000 1.021 197 V CA -0.809 61.441 62.300 -0.084 0.000 0.850 197 V CB 1.553 33.347 31.823 -0.048 0.000 1.005 197 V HN 0.780 nan 8.190 nan 0.000 0.426 198 D N 5.082 125.417 120.400 -0.108 0.000 2.533 198 D HA 0.026 4.666 4.640 -0.000 0.000 0.236 198 D C 0.894 177.143 176.300 -0.086 0.000 1.137 198 D CA 1.023 54.960 54.000 -0.105 0.000 0.867 198 D CB 0.694 41.441 40.800 -0.088 0.000 1.170 198 D HN 0.599 nan 8.370 nan 0.000 0.474 199 Q N 1.782 121.520 119.800 -0.104 0.000 2.424 199 Q HA -0.182 4.158 4.340 -0.000 0.000 0.234 199 Q C 0.339 176.332 176.000 -0.011 0.000 0.748 199 Q CA 1.356 57.137 55.803 -0.037 0.000 1.286 199 Q CB -2.369 26.366 28.738 -0.005 0.000 1.494 199 Q HN 0.608 nan 8.270 nan 0.000 0.683 200 T N -0.784 113.720 114.554 -0.082 0.000 3.594 200 T HA 0.194 4.544 4.350 -0.000 0.000 0.315 200 T C -0.718 173.943 174.700 -0.065 0.000 0.912 200 T CA 0.668 62.754 62.100 -0.023 0.000 0.985 200 T CB 0.256 69.110 68.868 -0.022 0.000 1.201 200 T HN 0.368 nan 8.240 nan 0.000 0.569 201 S N 0.574 116.138 115.700 -0.226 0.000 2.533 201 S HA 0.782 5.252 4.470 -0.000 0.000 0.271 201 S C -1.618 172.745 174.600 -0.395 0.000 1.143 201 S CA -0.798 57.306 58.200 -0.160 0.000 0.891 201 S CB 1.661 64.809 63.200 -0.087 0.000 1.105 201 S HN 0.299 nan 8.310 nan 0.000 0.468 202 H N 0.970 120.085 119.070 0.074 0.000 2.894 202 H HA 0.731 5.287 4.556 -0.000 0.000 0.367 202 H C -0.864 174.550 175.328 0.143 0.000 1.144 202 H CA -0.652 55.512 56.048 0.194 0.000 1.180 202 H CB 1.806 31.746 29.762 0.296 0.000 1.758 202 H HN 0.682 nan 8.280 nan 0.000 0.541 203 M N 3.412 123.237 119.600 0.374 0.000 2.326 203 M HA 0.566 5.046 4.480 -0.000 0.000 0.292 203 M C -1.707 174.821 176.300 0.379 0.000 1.081 203 M CA -0.807 54.563 55.300 0.116 0.000 0.919 203 M CB 2.263 34.785 32.600 -0.129 0.000 1.634 203 M HN 0.610 nan 8.290 nan 0.000 0.451 204 F N -0.090 119.924 119.950 0.108 0.000 2.686 204 F HA 0.422 4.949 4.527 -0.000 0.000 0.315 204 F C -0.410 175.396 175.800 0.010 0.000 1.088 204 F CA -1.198 56.860 58.000 0.097 0.000 1.034 204 F CB 0.060 39.149 39.000 0.148 0.000 1.280 204 F HN 0.502 nan 8.300 nan 0.000 0.463 205 I N -0.282 120.370 120.570 0.137 0.000 2.286 205 I HA 0.083 4.253 4.170 -0.000 0.000 0.245 205 I C 0.637 176.867 176.117 0.187 0.000 1.104 205 I CA 1.051 62.377 61.300 0.044 0.000 1.397 205 I CB -0.661 37.370 38.000 0.052 0.000 1.072 205 I HN 0.619 nan 8.210 nan 0.000 0.417 206 T N 1.241 115.978 114.554 0.304 0.000 2.824 206 T HA 0.627 4.977 4.350 -0.000 0.000 0.282 206 T C 0.305 175.196 174.700 0.318 0.000 0.993 206 T CA -0.499 61.767 62.100 0.276 0.000 0.967 206 T CB 1.641 70.586 68.868 0.129 0.000 0.960 206 T HN 0.351 nan 8.240 nan 0.000 0.441 207 G N 2.380 111.353 108.800 0.289 0.000 2.684 207 G HA2 0.324 4.284 3.960 -0.000 0.000 0.255 207 G HA3 0.324 4.284 3.960 -0.000 0.000 0.255 207 G C -1.598 173.093 174.900 -0.349 0.000 1.219 207 G CA -1.191 43.855 45.100 -0.090 0.000 0.901 207 G HN 0.410 nan 8.290 nan 0.000 0.548 208 P HA -0.089 nan 4.420 nan 0.000 0.214 208 P C 1.405 178.538 177.300 -0.277 0.000 1.163 208 P CA 1.150 63.920 63.100 -0.549 0.000 0.883 208 P CB 0.178 31.375 31.700 -0.839 0.000 0.788 209 D N -0.579 119.702 120.400 -0.200 0.000 2.177 209 D HA -0.152 4.488 4.640 -0.000 0.000 0.189 209 D C 2.025 178.288 176.300 -0.062 0.000 1.002 209 D CA 1.405 55.353 54.000 -0.085 0.000 0.845 209 D CB -0.847 39.945 40.800 -0.014 0.000 0.960 209 D HN -0.074 nan 8.370 nan 0.000 0.447 210 V N 1.053 120.945 119.914 -0.037 0.000 2.490 210 V HA -0.197 3.923 4.120 -0.000 0.000 0.250 210 V C 2.405 178.482 176.094 -0.028 0.000 1.061 210 V CA 1.031 63.323 62.300 -0.013 0.000 1.064 210 V CB -0.266 31.568 31.823 0.019 0.000 0.670 210 V HN 0.195 nan 8.190 nan 0.000 0.461 211 I N -0.866 119.670 120.570 -0.056 0.000 2.928 211 I HA -0.118 4.052 4.170 -0.000 0.000 0.266 211 I C 2.477 178.556 176.117 -0.064 0.000 1.234 211 I CA 0.941 62.206 61.300 -0.058 0.000 1.483 211 I CB -0.337 37.612 38.000 -0.084 0.000 1.097 211 I HN 0.189 nan 8.210 nan 0.000 0.455 212 K N 0.999 121.354 120.400 -0.075 0.000 1.967 212 K HA -0.140 4.180 4.320 -0.000 0.000 0.212 212 K C 2.093 178.670 176.600 -0.039 0.000 1.044 212 K CA 2.266 58.515 56.287 -0.062 0.000 0.942 212 K CB -0.477 31.981 32.500 -0.070 0.000 0.726 212 K HN 0.265 nan 8.250 nan 0.000 0.440 213 T N 1.341 115.876 114.554 -0.032 0.000 2.567 213 T HA -0.230 4.120 4.350 -0.000 0.000 0.261 213 T C 2.096 176.786 174.700 -0.016 0.000 1.123 213 T CA 2.415 64.503 62.100 -0.019 0.000 1.166 213 T CB -0.988 67.873 68.868 -0.012 0.000 0.860 213 T HN 0.019 nan 8.240 nan 0.000 0.436 214 V N 1.834 121.739 119.914 -0.015 0.000 2.270 214 V HA -0.096 4.024 4.120 -0.000 0.000 0.245 214 V C 2.841 178.928 176.094 -0.011 0.000 1.043 214 V CA 2.183 64.477 62.300 -0.009 0.000 1.014 214 V CB -0.886 30.934 31.823 -0.004 0.000 0.645 214 V HN 0.879 nan 8.190 nan 0.000 0.447 215 T N -3.687 110.856 114.554 -0.018 0.000 3.040 215 T HA 0.415 4.765 4.350 -0.000 0.000 0.266 215 T C 1.420 176.106 174.700 -0.022 0.000 1.005 215 T CA 1.117 63.207 62.100 -0.017 0.000 0.906 215 T CB 0.903 69.760 68.868 -0.018 0.000 1.082 215 T HN 0.900 nan 8.240 nan 0.000 0.531 216 G N 1.401 110.185 108.800 -0.026 0.000 2.377 216 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.250 216 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.250 216 G C -0.021 174.857 174.900 -0.036 0.000 1.039 216 G CA 0.325 45.409 45.100 -0.027 0.000 0.625 216 G HN 0.688 nan 8.290 nan 0.000 0.526 217 E N 1.113 121.289 120.200 -0.041 0.000 2.415 217 E HA 0.313 4.663 4.350 -0.000 0.000 0.262 217 E C -0.734 175.826 176.600 -0.068 0.000 1.038 217 E CA 0.168 56.538 56.400 -0.049 0.000 0.921 217 E CB 0.421 30.091 29.700 -0.050 0.000 0.950 217 E HN 0.191 nan 8.360 nan 0.000 0.438 218 D N 2.842 123.200 120.400 -0.069 0.000 2.432 218 D HA 0.223 4.863 4.640 -0.000 0.000 0.265 218 D C -1.446 174.796 176.300 -0.097 0.000 1.160 218 D CA -0.171 53.781 54.000 -0.080 0.000 0.911 218 D CB 0.988 41.754 40.800 -0.058 0.000 1.052 218 D HN 0.077 nan 8.370 nan 0.000 0.508 219 V N 1.515 121.344 119.914 -0.142 0.000 2.994 219 V HA 0.879 4.999 4.120 -0.000 0.000 0.318 219 V C 0.645 176.612 176.094 -0.213 0.000 1.085 219 V CA -0.318 61.883 62.300 -0.164 0.000 0.998 219 V CB 1.971 33.678 31.823 -0.193 0.000 1.063 219 V HN 0.404 nan 8.190 nan 0.000 0.447 220 G N 1.476 110.170 108.800 -0.177 0.000 2.557 220 G HA2 0.384 4.344 3.960 -0.000 0.000 0.302 220 G HA3 0.384 4.344 3.960 -0.000 0.000 0.302 220 G C -0.131 174.605 174.900 -0.274 0.000 1.311 220 G CA -0.188 44.804 45.100 -0.180 0.000 1.030 220 G HN 0.612 nan 8.290 nan 0.000 0.509 221 F N -1.046 118.827 119.950 -0.128 0.000 2.219 221 F HA 0.128 4.655 4.527 -0.000 0.000 0.294 221 F C 2.581 178.407 175.800 0.043 0.000 1.086 221 F CA 1.026 58.930 58.000 -0.160 0.000 1.330 221 F CB 0.031 38.880 39.000 -0.252 0.000 1.047 221 F HN 0.449 nan 8.300 nan 0.000 0.495 222 E N 0.988 121.352 120.200 0.273 0.000 2.021 222 E HA -0.286 4.064 4.350 -0.000 0.000 0.200 222 E C 2.102 178.756 176.600 0.091 0.000 1.015 222 E CA 1.977 58.514 56.400 0.229 0.000 0.824 222 E CB -0.420 29.369 29.700 0.148 0.000 0.762 222 E HN 0.470 nan 8.360 nan 0.000 0.454 223 E N -0.805 119.406 120.200 0.018 0.000 2.150 223 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 223 E C 2.107 178.663 176.600 -0.074 0.000 0.985 223 E CA 0.994 57.373 56.400 -0.035 0.000 0.814 223 E CB -0.164 29.507 29.700 -0.048 0.000 0.752 223 E HN 0.264 nan 8.360 nan 0.000 0.466 224 L N -0.564 120.600 121.223 -0.098 0.000 2.044 224 L HA 0.107 4.447 4.340 -0.000 0.000 0.205 224 L C 1.544 178.359 176.870 -0.093 0.000 1.075 224 L CA 2.300 57.053 54.840 -0.145 0.000 0.747 224 L CB -0.046 41.828 42.059 -0.307 0.000 0.903 224 L HN 0.102 nan 8.230 nan 0.000 0.435 225 G N -0.742 108.075 108.800 0.030 0.000 4.867 225 G HA2 0.470 4.430 3.960 -0.000 0.000 0.258 225 G HA3 0.470 4.430 3.960 -0.000 0.000 0.258 225 G C 0.204 175.221 174.900 0.194 0.000 0.999 225 G CA 0.107 45.276 45.100 0.114 0.000 0.797 225 G HN 0.636 nan 8.290 nan 0.000 0.505 226 G N -0.853 107.981 108.800 0.056 0.000 2.502 226 G HA2 0.536 4.496 3.960 -0.000 0.000 0.305 226 G HA3 0.536 4.496 3.960 -0.000 0.000 0.305 226 G C 1.254 176.117 174.900 -0.061 0.000 1.190 226 G CA 0.317 45.394 45.100 -0.039 0.000 0.933 226 G HN 0.498 nan 8.290 nan 0.000 0.503 227 A N 0.119 122.872 122.820 -0.112 0.000 1.917 227 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 227 A C 2.323 179.879 177.584 -0.048 0.000 1.182 227 A CA 2.094 54.093 52.037 -0.063 0.000 0.633 227 A CB -0.513 18.418 19.000 -0.114 0.000 0.819 227 A HN 0.696 nan 8.150 nan 0.000 0.448 228 R N -0.977 119.485 120.500 -0.064 0.000 2.082 228 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 228 R C 2.267 178.542 176.300 -0.041 0.000 1.136 228 R CA 2.204 58.275 56.100 -0.047 0.000 0.935 228 R CB -0.895 29.381 30.300 -0.040 0.000 0.842 228 R HN 0.469 nan 8.270 nan 0.000 0.430 229 T N 0.448 114.955 114.554 -0.078 0.000 2.567 229 T HA -0.242 4.108 4.350 -0.000 0.000 0.261 229 T C 1.595 176.218 174.700 -0.128 0.000 1.123 229 T CA 1.966 63.980 62.100 -0.144 0.000 1.166 229 T CB -0.556 68.141 68.868 -0.286 0.000 0.860 229 T HN 0.428 nan 8.240 nan 0.000 0.436 230 H N 0.160 119.208 119.070 -0.036 0.000 2.548 230 H HA 0.192 4.748 4.556 -0.000 0.000 0.268 230 H C 1.880 177.134 175.328 -0.123 0.000 0.975 230 H CA 0.628 56.631 56.048 -0.075 0.000 1.195 230 H CB -0.160 29.567 29.762 -0.058 0.000 1.397 230 H HN 0.395 nan 8.280 nan 0.000 0.572 231 N N -1.091 117.622 118.700 0.021 0.000 2.356 231 N HA -0.023 4.717 4.740 -0.000 0.000 0.178 231 N C 1.716 177.262 175.510 0.060 0.000 1.075 231 N CA 0.248 53.294 53.050 -0.006 0.000 0.889 231 N CB 0.655 39.126 38.487 -0.027 0.000 0.999 231 N HN -0.048 nan 8.380 nan 0.000 0.464 232 S N -1.551 114.199 115.700 0.083 0.000 2.510 232 S HA 0.127 4.597 4.470 -0.000 0.000 0.230 232 S C 1.547 176.342 174.600 0.325 0.000 1.066 232 S CA 0.732 59.042 58.200 0.184 0.000 0.941 232 S CB -0.034 63.223 63.200 0.097 0.000 0.829 232 S HN 0.204 nan 8.310 nan 0.000 0.530 233 T N 1.099 115.757 114.554 0.173 0.000 3.031 233 T HA 0.055 4.405 4.350 -0.000 0.000 0.236 233 T C 1.824 176.636 174.700 0.187 0.000 1.005 233 T CA 1.106 63.321 62.100 0.191 0.000 1.230 233 T CB -0.465 68.443 68.868 0.067 0.000 0.913 233 T HN 0.483 nan 8.240 nan 0.000 0.419 234 S N 0.748 116.460 115.700 0.019 0.000 2.631 234 S HA 0.337 4.807 4.470 -0.000 0.000 0.217 234 S C 1.880 176.320 174.600 -0.266 0.000 0.958 234 S CA 0.620 58.816 58.200 -0.007 0.000 0.920 234 S CB -0.624 62.643 63.200 0.111 0.000 0.776 234 S HN 0.812 nan 8.310 nan 0.000 0.517 235 G N 0.674 108.999 108.800 -0.790 0.000 2.205 235 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.269 235 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.269 235 G C 0.838 175.278 174.900 -0.767 0.000 0.977 235 G CA 0.573 44.594 45.100 -1.798 0.000 0.652 235 G HN 0.604 nan 8.290 nan 0.000 0.539 236 V N 0.858 120.542 119.914 -0.382 0.000 2.214 236 V HA 0.161 4.281 4.120 -0.000 0.000 0.245 236 V C 2.299 178.229 176.094 -0.273 0.000 1.047 236 V CA 2.392 64.537 62.300 -0.258 0.000 0.998 236 V CB -0.920 30.762 31.823 -0.236 0.000 0.633 236 V HN 1.230 nan 8.190 nan 0.000 0.446 237 A N -1.445 121.260 122.820 -0.192 0.000 2.340 237 A HA 0.381 4.701 4.320 -0.000 0.000 0.268 237 A C 0.802 178.330 177.584 -0.093 0.000 1.100 237 A CA -0.137 51.849 52.037 -0.085 0.000 0.803 237 A CB 0.117 19.112 19.000 -0.009 0.000 1.043 237 A HN 0.592 nan 8.150 nan 0.000 0.488 238 H N -0.328 118.810 119.070 0.114 0.000 2.317 238 H HA 0.090 4.646 4.556 -0.000 0.000 0.304 238 H C 0.366 175.764 175.328 0.116 0.000 1.067 238 H CA 2.321 58.488 56.048 0.198 0.000 1.352 238 H CB 0.013 30.023 29.762 0.414 0.000 1.398 238 H HN 0.807 nan 8.280 nan 0.000 0.510 239 H N -0.634 118.442 119.070 0.010 0.000 2.717 239 H HA 0.371 4.927 4.556 -0.000 0.000 0.366 239 H C -1.187 174.012 175.328 -0.216 0.000 1.132 239 H CA -1.024 54.853 56.048 -0.284 0.000 1.180 239 H CB 1.223 30.384 29.762 -1.003 0.000 1.678 239 H HN 0.115 nan 8.280 nan 0.000 0.537 240 M N 4.987 124.111 119.600 -0.794 0.000 2.027 240 M HA 0.654 5.134 4.480 -0.000 0.000 0.329 240 M C -1.396 174.501 176.300 -0.672 0.000 0.971 240 M CA -0.652 54.326 55.300 -0.538 0.000 0.933 240 M CB 0.437 32.865 32.600 -0.287 0.000 1.392 240 M HN 0.686 nan 8.290 nan 0.000 0.394 241 A N 3.136 125.672 122.820 -0.473 0.000 2.316 241 A HA 0.656 4.976 4.320 -0.000 0.000 0.284 241 A C 1.050 178.568 177.584 -0.110 0.000 1.115 241 A CA -0.067 51.836 52.037 -0.223 0.000 0.812 241 A CB 0.719 19.730 19.000 0.018 0.000 1.064 241 A HN 1.046 nan 8.150 nan 0.000 0.489 242 G N 0.803 109.574 108.800 -0.049 0.000 2.421 242 G HA2 0.078 4.038 3.960 -0.000 0.000 0.216 242 G HA3 0.078 4.038 3.960 -0.000 0.000 0.216 242 G C 0.332 175.219 174.900 -0.022 0.000 1.171 242 G CA 1.569 46.649 45.100 -0.034 0.000 0.775 242 G HN 0.964 nan 8.290 nan 0.000 0.543 243 D N -2.763 117.636 120.400 -0.001 0.000 2.781 243 D HA 0.314 4.954 4.640 -0.000 0.000 0.295 243 D C 0.842 177.152 176.300 0.017 0.000 1.143 243 D CA -0.698 53.304 54.000 0.003 0.000 1.076 243 D CB 0.330 41.133 40.800 0.006 0.000 1.444 243 D HN 0.038 nan 8.370 nan 0.000 0.567 244 E N -0.392 119.817 120.200 0.016 0.000 2.072 244 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 244 E C 1.605 178.226 176.600 0.035 0.000 0.982 244 E CA 0.605 57.018 56.400 0.022 0.000 0.803 244 E CB 0.000 29.710 29.700 0.016 0.000 0.755 244 E HN 0.429 nan 8.360 nan 0.000 0.453 245 K N 1.173 121.591 120.400 0.030 0.000 2.013 245 K HA -0.297 4.023 4.320 -0.000 0.000 0.225 245 K C 1.697 178.333 176.600 0.060 0.000 1.056 245 K CA 2.396 58.704 56.287 0.035 0.000 0.971 245 K CB -0.162 32.355 32.500 0.027 0.000 0.731 245 K HN -0.049 nan 8.250 nan 0.000 0.450 246 D N -0.347 120.097 120.400 0.073 0.000 2.126 246 D HA -0.192 4.448 4.640 -0.000 0.000 0.190 246 D C 1.551 177.951 176.300 0.167 0.000 1.001 246 D CA 1.873 55.945 54.000 0.119 0.000 0.841 246 D CB -0.276 40.594 40.800 0.117 0.000 0.949 246 D HN 0.467 nan 8.370 nan 0.000 0.446 247 A N -0.246 122.656 122.820 0.137 0.000 2.238 247 A HA 0.115 4.435 4.320 -0.000 0.000 0.208 247 A C 2.126 179.795 177.584 0.141 0.000 1.177 247 A CA 0.170 52.307 52.037 0.167 0.000 0.804 247 A CB 0.065 19.125 19.000 0.100 0.000 0.823 247 A HN 0.121 nan 8.150 nan 0.000 0.482 248 V N -0.519 119.455 119.914 0.100 0.000 2.379 248 V HA -0.128 3.992 4.120 -0.000 0.000 0.243 248 V C 2.493 178.633 176.094 0.076 0.000 1.035 248 V CA 1.964 64.305 62.300 0.069 0.000 1.035 248 V CB -0.345 31.497 31.823 0.032 0.000 0.673 248 V HN 0.661 nan 8.190 nan 0.000 0.457 249 E N 0.398 120.652 120.200 0.090 0.000 2.033 249 E HA -0.309 4.041 4.350 -0.000 0.000 0.199 249 E C 2.083 178.740 176.600 0.095 0.000 1.011 249 E CA 2.115 58.560 56.400 0.075 0.000 0.815 249 E CB -0.700 29.056 29.700 0.093 0.000 0.755 249 E HN 0.597 nan 8.360 nan 0.000 0.451 250 Y N 0.016 120.353 120.300 0.062 0.000 2.139 250 Y HA -0.281 4.269 4.550 -0.000 0.000 0.282 250 Y C 2.174 178.100 175.900 0.044 0.000 1.179 250 Y CA 2.002 60.160 58.100 0.096 0.000 1.161 250 Y CB -0.254 38.225 38.460 0.031 0.000 0.970 250 Y HN 0.008 nan 8.280 nan 0.000 0.511 251 V N 0.210 120.225 119.914 0.169 0.000 2.343 251 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 251 V C 1.935 177.975 176.094 -0.090 0.000 1.051 251 V CA 2.340 64.672 62.300 0.053 0.000 1.036 251 V CB -0.474 31.384 31.823 0.059 0.000 0.654 251 V HN 0.336 nan 8.190 nan 0.000 0.451 252 K N -0.555 119.788 120.400 -0.094 0.000 2.487 252 K HA -0.018 4.302 4.320 -0.000 0.000 0.192 252 K C 2.074 178.520 176.600 -0.255 0.000 1.027 252 K CA 0.292 56.491 56.287 -0.147 0.000 1.054 252 K CB 0.040 32.480 32.500 -0.099 0.000 0.824 252 K HN 0.414 nan 8.250 nan 0.000 0.510 253 Q N 0.314 119.906 119.800 -0.346 0.000 2.134 253 Q HA 0.007 4.347 4.340 -0.000 0.000 0.195 253 Q C 2.047 177.644 176.000 -0.672 0.000 0.958 253 Q CA 0.660 56.104 55.803 -0.597 0.000 0.840 253 Q CB -0.061 28.157 28.738 -0.868 0.000 0.918 253 Q HN 0.176 nan 8.270 nan 0.000 0.467 254 L N 1.099 121.958 121.223 -0.608 0.000 2.013 254 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 254 L C 2.346 178.960 176.870 -0.428 0.000 1.073 254 L CA 1.568 56.099 54.840 -0.515 0.000 0.753 254 L CB -1.250 40.547 42.059 -0.437 0.000 0.890 254 L HN 0.192 nan 8.230 nan 0.000 0.432 255 L N -0.879 120.141 121.223 -0.339 0.000 2.127 255 L HA -0.242 4.098 4.340 -0.000 0.000 0.211 255 L C 2.619 179.294 176.870 -0.325 0.000 1.089 255 L CA 1.402 56.072 54.840 -0.284 0.000 0.757 255 L CB -0.763 41.174 42.059 -0.204 0.000 0.899 255 L HN 0.464 nan 8.230 nan 0.000 0.434 256 S N -0.666 114.776 115.700 -0.430 0.000 2.399 256 S HA -0.219 4.251 4.470 -0.000 0.000 0.231 256 S C 1.627 175.880 174.600 -0.579 0.000 1.022 256 S CA 1.103 58.979 58.200 -0.540 0.000 0.983 256 S CB -0.613 62.127 63.200 -0.767 0.000 0.803 256 S HN 0.471 nan 8.310 nan 0.000 0.480 257 Y N 1.389 121.463 120.300 -0.376 0.000 2.457 257 Y HA 0.561 5.111 4.550 -0.000 0.000 0.263 257 Y C 0.469 176.154 175.900 -0.359 0.000 1.164 257 Y CA -0.516 57.363 58.100 -0.368 0.000 1.274 257 Y CB -0.005 38.145 38.460 -0.516 0.000 1.097 257 Y HN 0.180 nan 8.280 nan 0.000 0.523 258 L N 1.626 122.702 121.223 -0.246 0.000 2.341 258 L HA 0.535 4.875 4.340 -0.000 0.000 0.267 258 L C -2.543 174.214 176.870 -0.189 0.000 1.009 258 L CA -2.294 52.406 54.840 -0.234 0.000 0.819 258 L CB 2.344 44.183 42.059 -0.366 0.000 1.323 258 L HN -0.261 nan 8.230 nan 0.000 0.425 259 P HA 0.222 nan 4.420 nan 0.000 0.281 259 P C -0.162 177.071 177.300 -0.111 0.000 1.264 259 P CA -0.530 62.523 63.100 -0.079 0.000 0.824 259 P CB 1.404 33.109 31.700 0.009 0.000 1.092 260 S N 0.404 116.063 115.700 -0.068 0.000 2.447 260 S HA -0.080 4.390 4.470 -0.000 0.000 0.233 260 S C 0.773 175.355 174.600 -0.029 0.000 1.006 260 S CA 1.069 59.230 58.200 -0.066 0.000 0.957 260 S CB -0.830 62.344 63.200 -0.043 0.000 0.773 260 S HN 0.798 nan 8.310 nan 0.000 0.507 261 N N -0.452 118.267 118.700 0.031 0.000 3.533 261 N HA 0.073 4.813 4.740 -0.000 0.000 0.229 261 N C -0.893 174.734 175.510 0.196 0.000 1.418 261 N CA -0.664 52.471 53.050 0.142 0.000 0.880 261 N CB -0.048 38.496 38.487 0.095 0.000 1.415 261 N HN -0.089 nan 8.380 nan 0.000 0.491 262 N N -0.014 118.835 118.700 0.248 0.000 2.535 262 N HA 0.023 4.763 4.740 -0.000 0.000 0.203 262 N C -0.305 175.249 175.510 0.074 0.000 1.301 262 N CA 0.285 53.436 53.050 0.168 0.000 0.859 262 N CB -0.357 38.142 38.487 0.020 0.000 1.055 262 N HN 0.679 nan 8.380 nan 0.000 0.457 263 L N -1.534 119.728 121.223 0.065 0.000 3.014 263 L HA 0.315 4.655 4.340 -0.000 0.000 0.263 263 L C 0.307 177.195 176.870 0.030 0.000 1.207 263 L CA -0.276 54.584 54.840 0.034 0.000 1.017 263 L CB 0.208 42.279 42.059 0.019 0.000 1.360 263 L HN 0.049 nan 8.230 nan 0.000 0.560 264 S N -0.386 115.341 115.700 0.045 0.000 2.632 264 S HA 0.454 4.924 4.470 -0.000 0.000 0.289 264 S C -0.837 173.788 174.600 0.042 0.000 1.115 264 S CA -0.504 57.716 58.200 0.032 0.000 0.889 264 S CB 2.219 65.430 63.200 0.019 0.000 1.116 264 S HN 0.152 nan 8.310 nan 0.000 0.486 265 E N 1.842 122.059 120.200 0.028 0.000 2.216 265 E HA 0.401 4.751 4.350 -0.000 0.000 0.279 265 E C -2.429 174.183 176.600 0.019 0.000 0.997 265 E CA -2.346 54.072 56.400 0.031 0.000 0.817 265 E CB 0.955 30.668 29.700 0.022 0.000 1.096 265 E HN 0.310 nan 8.360 nan 0.000 0.393 266 P HA -0.048 nan 4.420 nan 0.000 0.264 266 P C -2.475 174.811 177.300 -0.023 0.000 1.173 266 P CA -0.627 62.474 63.100 0.001 0.000 0.761 266 P CB -0.205 31.509 31.700 0.024 0.000 0.794 267 P HA 0.206 nan 4.420 nan 0.000 0.268 267 P C -1.059 176.206 177.300 -0.058 0.000 1.204 267 P CA 0.279 63.351 63.100 -0.047 0.000 0.768 267 P CB 0.636 32.297 31.700 -0.065 0.000 0.842 268 A N 3.554 126.348 122.820 -0.043 0.000 2.515 268 A HA 0.728 5.048 4.320 -0.000 0.000 0.298 268 A C -1.144 176.424 177.584 -0.025 0.000 1.059 268 A CA -0.740 51.228 52.037 -0.116 0.000 0.698 268 A CB 1.087 20.016 19.000 -0.118 0.000 1.289 268 A HN 0.491 nan 8.150 nan 0.000 0.404 269 F N 1.014 120.956 119.950 -0.013 0.000 2.451 269 F HA 0.611 5.138 4.527 -0.000 0.000 0.367 269 F C -2.576 173.227 175.800 0.004 0.000 1.100 269 F CA -2.599 55.394 58.000 -0.011 0.000 1.171 269 F CB 0.858 39.845 39.000 -0.021 0.000 1.405 269 F HN 0.244 nan 8.300 nan 0.000 0.482 270 P HA 0.174 nan 4.420 nan 0.000 0.271 270 P C -1.142 176.206 177.300 0.080 0.000 1.216 270 P CA 0.104 63.210 63.100 0.011 0.000 0.771 270 P CB 1.323 33.032 31.700 0.015 0.000 0.864 271 E N 1.042 121.277 120.200 0.058 0.000 2.367 271 E HA 0.211 4.561 4.350 -0.000 0.000 0.292 271 E C -0.815 175.818 176.600 0.055 0.000 0.900 271 E CA -0.921 55.531 56.400 0.085 0.000 0.807 271 E CB 0.931 30.724 29.700 0.155 0.000 1.337 271 E HN 0.449 nan 8.360 nan 0.000 0.394 272 E N 3.226 123.453 120.200 0.044 0.000 2.415 272 E HA 0.263 4.613 4.350 -0.000 0.000 0.263 272 E C -0.701 175.920 176.600 0.036 0.000 0.995 272 E CA -0.159 56.260 56.400 0.033 0.000 0.915 272 E CB 0.725 30.441 29.700 0.026 0.000 0.951 272 E HN 0.572 nan 8.360 nan 0.000 0.449 273 A N 4.742 127.581 122.820 0.033 0.000 2.331 273 A HA 0.124 4.444 4.320 -0.000 0.000 0.283 273 A C -0.197 177.404 177.584 0.028 0.000 1.142 273 A CA -0.646 51.413 52.037 0.036 0.000 0.812 273 A CB 0.794 19.819 19.000 0.040 0.000 1.074 273 A HN 0.812 nan 8.150 nan 0.000 0.497 274 D N 2.505 122.923 120.400 0.029 0.000 2.382 274 D HA 0.120 4.760 4.640 -0.000 0.000 0.259 274 D C 0.392 176.704 176.300 0.020 0.000 1.224 274 D CA 0.211 54.224 54.000 0.022 0.000 0.894 274 D CB 0.491 41.303 40.800 0.021 0.000 1.127 274 D HN 0.473 nan 8.370 nan 0.000 0.487 275 L N 2.750 123.980 121.223 0.013 0.000 2.653 275 L HA 0.260 4.600 4.340 -0.000 0.000 0.231 275 L C 1.038 177.910 176.870 0.004 0.000 1.153 275 L CA -0.401 54.444 54.840 0.008 0.000 0.933 275 L CB -0.011 42.047 42.059 -0.003 0.000 1.175 275 L HN 0.307 nan 8.230 nan 0.000 0.473 276 A N 1.004 123.828 122.820 0.006 0.000 2.401 276 A HA 0.377 4.697 4.320 -0.000 0.000 0.259 276 A C 0.354 177.943 177.584 0.007 0.000 1.103 276 A CA -0.347 51.692 52.037 0.004 0.000 0.789 276 A CB 0.495 19.497 19.000 0.004 0.000 1.035 276 A HN 0.115 nan 8.150 nan 0.000 0.491 277 V N 2.848 122.764 119.914 0.004 0.000 2.381 277 V HA 0.438 4.558 4.120 -0.000 0.000 0.257 277 V C 0.663 176.762 176.094 0.007 0.000 1.057 277 V CA 0.090 62.394 62.300 0.006 0.000 1.013 277 V CB -1.017 30.805 31.823 -0.001 0.000 1.069 277 V HN 1.061 nan 8.190 nan 0.000 0.484 278 T N 1.380 115.941 114.554 0.013 0.000 2.698 278 T HA 0.195 4.545 4.350 -0.000 0.000 0.295 278 T C 0.599 175.304 174.700 0.008 0.000 1.007 278 T CA 0.174 62.280 62.100 0.010 0.000 0.980 278 T CB 0.819 69.693 68.868 0.011 0.000 1.036 278 T HN 0.637 nan 8.240 nan 0.000 0.526 279 D N -0.509 119.893 120.400 0.004 0.000 2.349 279 D HA 0.094 4.734 4.640 -0.000 0.000 0.215 279 D C 1.686 177.988 176.300 0.003 0.000 1.016 279 D CA 0.314 54.316 54.000 0.003 0.000 0.870 279 D CB 0.153 40.954 40.800 0.001 0.000 0.917 279 D HN 0.585 nan 8.370 nan 0.000 0.524 280 E N 0.980 121.176 120.200 -0.008 0.000 2.008 280 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 280 E C 1.490 178.122 176.600 0.053 0.000 0.986 280 E CA 0.847 57.226 56.400 -0.034 0.000 0.807 280 E CB -0.034 29.613 29.700 -0.089 0.000 0.766 280 E HN 0.047 nan 8.360 nan 0.000 0.450 281 D N 0.138 120.579 120.400 0.067 0.000 2.248 281 D HA -0.270 4.370 4.640 -0.000 0.000 0.189 281 D C 1.532 177.874 176.300 0.070 0.000 1.011 281 D CA 1.967 56.026 54.000 0.099 0.000 0.868 281 D CB -0.477 40.350 40.800 0.046 0.000 0.931 281 D HN 0.274 nan 8.370 nan 0.000 0.449 282 A N 0.353 123.189 122.820 0.028 0.000 2.235 282 A HA -0.090 4.230 4.320 -0.000 0.000 0.208 282 A C 1.887 179.470 177.584 -0.002 0.000 1.172 282 A CA 0.622 52.653 52.037 -0.011 0.000 0.786 282 A CB -0.347 18.645 19.000 -0.014 0.000 0.804 282 A HN 0.221 nan 8.150 nan 0.000 0.479 283 E N -0.206 120.032 120.200 0.064 0.000 2.204 283 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 283 E C 1.496 178.106 176.600 0.018 0.000 0.989 283 E CA 0.718 57.177 56.400 0.098 0.000 0.824 283 E CB -0.182 29.671 29.700 0.255 0.000 0.756 283 E HN 0.679 nan 8.360 nan 0.000 0.477 284 L N 0.900 122.088 121.223 -0.059 0.000 2.217 284 L HA -0.146 4.194 4.340 -0.000 0.000 0.211 284 L C 1.603 178.277 176.870 -0.326 0.000 1.107 284 L CA 0.588 55.270 54.840 -0.263 0.000 0.783 284 L CB -0.156 41.681 42.059 -0.370 0.000 0.919 284 L HN 0.025 nan 8.230 nan 0.000 0.442 285 D N -0.480 119.774 120.400 -0.243 0.000 2.264 285 D HA -0.098 4.542 4.640 -0.000 0.000 0.208 285 D C 1.453 177.659 176.300 -0.157 0.000 0.966 285 D CA 1.450 55.312 54.000 -0.228 0.000 0.864 285 D CB 0.104 40.811 40.800 -0.156 0.000 0.933 285 D HN 0.339 nan 8.370 nan 0.000 0.499 286 T N -2.359 112.122 114.554 -0.122 0.000 3.697 286 T HA 0.284 4.634 4.350 -0.000 0.000 0.260 286 T C 1.065 175.709 174.700 -0.094 0.000 0.998 286 T CA -0.484 61.561 62.100 -0.091 0.000 1.128 286 T CB -0.512 68.324 68.868 -0.054 0.000 1.082 286 T HN -0.064 nan 8.240 nan 0.000 0.541 287 I N 1.091 121.573 120.570 -0.146 0.000 2.206 287 I HA 0.173 4.343 4.170 -0.000 0.000 0.239 287 I C 0.582 176.497 176.117 -0.338 0.000 1.078 287 I CA 0.568 61.748 61.300 -0.200 0.000 1.367 287 I CB 0.335 38.196 38.000 -0.232 0.000 1.078 287 I HN 0.193 nan 8.210 nan 0.000 0.413 288 V N 3.807 123.472 119.914 -0.416 0.000 2.540 288 V HA 0.049 4.169 4.120 -0.000 0.000 0.297 288 V C -2.084 173.913 176.094 -0.162 0.000 1.024 288 V CA -0.857 61.174 62.300 -0.450 0.000 1.105 288 V CB -0.414 31.276 31.823 -0.222 0.000 0.938 288 V HN 0.236 nan 8.190 nan 0.000 0.482 289 P HA 0.225 nan 4.420 nan 0.000 0.279 289 P C -0.033 177.284 177.300 0.028 0.000 1.239 289 P CA -0.366 62.741 63.100 0.012 0.000 0.789 289 P CB 0.541 32.284 31.700 0.072 0.000 0.933 290 D N -0.514 119.900 120.400 0.024 0.000 2.338 290 D HA -0.010 4.630 4.640 -0.000 0.000 0.239 290 D C 0.270 176.594 176.300 0.040 0.000 1.095 290 D CA 0.854 54.872 54.000 0.030 0.000 0.888 290 D CB 0.001 40.814 40.800 0.021 0.000 0.899 290 D HN 0.130 nan 8.370 nan 0.000 0.525 291 S N -0.342 115.386 115.700 0.048 0.000 2.449 291 S HA 0.503 4.973 4.470 -0.000 0.000 0.310 291 S C 1.258 175.902 174.600 0.072 0.000 1.096 291 S CA -0.457 57.775 58.200 0.053 0.000 1.095 291 S CB 1.553 64.779 63.200 0.044 0.000 1.007 291 S HN 0.096 nan 8.310 nan 0.000 0.474 292 A N 4.636 127.501 122.820 0.074 0.000 1.929 292 A HA -0.209 4.111 4.320 -0.000 0.000 0.221 292 A C 1.656 179.292 177.584 0.087 0.000 1.211 292 A CA 2.281 54.373 52.037 0.090 0.000 0.657 292 A CB -0.773 18.273 19.000 0.076 0.000 0.827 292 A HN 0.949 nan 8.150 nan 0.000 0.462 293 N N -0.524 118.213 118.700 0.062 0.000 2.336 293 N HA 0.008 4.748 4.740 -0.000 0.000 0.189 293 N C -0.463 175.077 175.510 0.049 0.000 1.113 293 N CA 0.093 53.171 53.050 0.047 0.000 0.858 293 N CB 0.190 38.694 38.487 0.028 0.000 0.970 293 N HN 0.476 nan 8.380 nan 0.000 0.471 294 Q N 2.026 121.868 119.800 0.069 0.000 2.278 294 Q HA 0.395 4.735 4.340 -0.000 0.000 0.257 294 Q C -2.215 173.858 176.000 0.122 0.000 0.928 294 Q CA -1.655 54.194 55.803 0.076 0.000 0.932 294 Q CB 1.850 30.631 28.738 0.071 0.000 1.221 294 Q HN 0.206 nan 8.270 nan 0.000 0.434 295 P HA 0.365 nan 4.420 nan 0.000 0.278 295 P C -1.227 176.175 177.300 0.170 0.000 1.266 295 P CA -0.426 62.716 63.100 0.071 0.000 0.807 295 P CB 0.678 32.374 31.700 -0.007 0.000 1.094 296 Y N -2.718 117.596 120.300 0.023 0.000 2.474 296 Y HA 0.420 4.970 4.550 0.000 0.000 0.326 296 Y C -1.397 174.518 175.900 0.025 0.000 1.160 296 Y CA -1.324 56.793 58.100 0.028 0.000 1.056 296 Y CB 0.508 38.989 38.460 0.034 0.000 1.330 296 Y HN 0.128 nan 8.280 nan 0.000 0.447 297 D N 4.366 124.826 120.400 0.100 0.000 2.336 297 D HA 0.077 4.717 4.640 -0.000 0.000 0.249 297 D C 0.549 176.877 176.300 0.046 0.000 1.213 297 D CA -0.123 53.906 54.000 0.048 0.000 0.870 297 D CB 1.474 42.344 40.800 0.118 0.000 1.076 297 D HN 0.842 nan 8.370 nan 0.000 0.483 298 M N 4.362 123.895 119.600 -0.111 0.000 2.686 298 M HA -0.035 4.444 4.480 -0.000 0.000 0.246 298 M C 1.130 177.286 176.300 -0.241 0.000 1.096 298 M CA 0.910 56.096 55.300 -0.189 0.000 1.076 298 M CB -0.141 32.281 32.600 -0.296 0.000 1.504 298 M HN 0.435 nan 8.290 nan 0.000 0.524 299 H N -1.048 117.957 119.070 -0.108 0.000 2.387 299 H HA -0.098 4.458 4.556 -0.000 0.000 0.299 299 H C 2.036 177.338 175.328 -0.044 0.000 1.099 299 H CA 1.951 57.958 56.048 -0.068 0.000 1.315 299 H CB -0.198 29.590 29.762 0.044 0.000 1.380 299 H HN 0.446 nan 8.280 nan 0.000 0.513 300 S N 0.019 115.807 115.700 0.147 0.000 2.356 300 S HA -0.105 4.365 4.470 -0.000 0.000 0.223 300 S C 2.564 177.254 174.600 0.150 0.000 1.032 300 S CA 1.088 59.416 58.200 0.213 0.000 1.005 300 S CB -0.295 63.047 63.200 0.237 0.000 0.867 300 S HN 0.123 nan 8.310 nan 0.000 0.449 301 V N 1.988 121.842 119.914 -0.101 0.000 2.332 301 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 301 V C 2.022 177.867 176.094 -0.414 0.000 1.055 301 V CA 1.594 63.743 62.300 -0.252 0.000 1.038 301 V CB -0.767 30.906 31.823 -0.249 0.000 0.651 301 V HN 0.413 nan 8.190 nan 0.000 0.450 302 I N -0.180 120.020 120.570 -0.616 0.000 2.179 302 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 302 I C 2.565 178.560 176.117 -0.204 0.000 1.088 302 I CA 1.737 62.645 61.300 -0.653 0.000 1.357 302 I CB -0.442 37.031 38.000 -0.878 0.000 1.051 302 I HN 0.324 nan 8.210 nan 0.000 0.409 303 E N -0.274 119.901 120.200 -0.041 0.000 2.077 303 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 303 E C 2.168 178.845 176.600 0.128 0.000 0.989 303 E CA 1.270 57.725 56.400 0.091 0.000 0.800 303 E CB -0.189 29.592 29.700 0.136 0.000 0.746 303 E HN 0.546 nan 8.360 nan 0.000 0.452 304 H N -0.099 118.984 119.070 0.021 0.000 2.321 304 H HA -0.178 4.378 4.556 -0.000 0.000 0.295 304 H C 2.321 177.696 175.328 0.078 0.000 1.102 304 H CA 2.013 58.094 56.048 0.055 0.000 1.266 304 H CB -0.691 29.113 29.762 0.070 0.000 1.363 304 H HN 0.184 nan 8.280 nan 0.000 0.492 305 V N -1.271 118.779 119.914 0.226 0.000 2.323 305 V HA -0.035 4.085 4.120 -0.000 0.000 0.244 305 V C 1.394 177.584 176.094 0.159 0.000 1.041 305 V CA 0.654 63.080 62.300 0.210 0.000 1.025 305 V CB -0.798 31.194 31.823 0.282 0.000 0.656 305 V HN 0.117 nan 8.190 nan 0.000 0.451 306 L N 1.535 122.843 121.223 0.142 0.000 2.482 306 L HA 0.174 4.514 4.340 -0.000 0.000 0.273 306 L C 0.131 177.077 176.870 0.127 0.000 1.228 306 L CA -0.120 54.804 54.840 0.141 0.000 0.827 306 L CB -0.199 41.953 42.059 0.156 0.000 1.099 306 L HN 0.285 nan 8.230 nan 0.000 0.494 307 D N 1.833 122.310 120.400 0.128 0.000 2.417 307 D HA -0.003 4.637 4.640 -0.000 0.000 0.250 307 D C 0.269 176.649 176.300 0.133 0.000 1.166 307 D CA 0.301 54.374 54.000 0.121 0.000 0.881 307 D CB 0.389 41.260 40.800 0.118 0.000 1.164 307 D HN 0.466 nan 8.370 nan 0.000 0.467 308 D N 1.876 122.341 120.400 0.110 0.000 2.811 308 D HA -0.268 4.372 4.640 -0.000 0.000 0.231 308 D C 0.414 176.778 176.300 0.106 0.000 1.157 308 D CA 0.917 54.978 54.000 0.101 0.000 0.716 308 D CB -1.254 39.616 40.800 0.116 0.000 1.077 308 D HN 0.705 nan 8.370 nan 0.000 0.428 309 A N -0.665 122.215 122.820 0.100 0.000 2.799 309 A HA -0.281 4.039 4.320 -0.000 0.000 0.287 309 A C 0.359 178.032 177.584 0.148 0.000 1.484 309 A CA 1.926 54.021 52.037 0.097 0.000 0.813 309 A CB -1.137 17.893 19.000 0.050 0.000 1.009 309 A HN 0.368 nan 8.150 nan 0.000 0.545 310 E N -0.820 119.489 120.200 0.182 0.000 2.109 310 E HA 0.678 5.028 4.350 -0.000 0.000 0.278 310 E C -0.866 175.925 176.600 0.319 0.000 0.954 310 E CA -0.479 56.057 56.400 0.228 0.000 0.779 310 E CB 0.434 30.264 29.700 0.217 0.000 1.093 310 E HN 0.568 nan 8.360 nan 0.000 0.401 311 F N 5.893 125.923 119.950 0.134 0.000 2.460 311 F HA 0.405 4.932 4.527 -0.000 0.000 0.341 311 F C -1.679 174.209 175.800 0.147 0.000 1.130 311 F CA -1.709 56.362 58.000 0.118 0.000 0.962 311 F CB 0.536 39.591 39.000 0.091 0.000 1.171 311 F HN 0.397 nan 8.300 nan 0.000 0.436 312 F N 6.587 126.338 119.950 -0.331 0.000 2.384 312 F HA 0.328 4.855 4.527 -0.000 0.000 0.359 312 F C 0.400 175.800 175.800 -0.666 0.000 1.143 312 F CA -0.385 57.368 58.000 -0.412 0.000 1.216 312 F CB -0.072 38.769 39.000 -0.266 0.000 1.512 312 F HN 0.604 nan 8.300 nan 0.000 0.573 313 E N 3.143 122.647 120.200 -1.160 0.000 2.392 313 E HA 0.192 4.542 4.350 -0.000 0.000 0.264 313 E C -0.085 176.194 176.600 -0.535 0.000 1.024 313 E CA -0.206 55.622 56.400 -0.953 0.000 0.903 313 E CB 0.769 30.100 29.700 -0.615 0.000 0.963 313 E HN 0.610 nan 8.360 nan 0.000 0.432 314 T N 1.066 115.461 114.554 -0.264 0.000 2.948 314 T HA 0.216 4.566 4.350 -0.000 0.000 0.285 314 T C -0.140 174.606 174.700 0.077 0.000 1.019 314 T CA -0.824 61.305 62.100 0.049 0.000 1.013 314 T CB 1.197 70.237 68.868 0.287 0.000 1.117 314 T HN 0.651 nan 8.240 nan 0.000 0.533 315 Q N 0.378 120.295 119.800 0.195 0.000 2.406 315 Q HA -0.132 4.208 4.340 -0.000 0.000 0.339 315 Q C -1.603 174.471 176.000 0.123 0.000 1.337 315 Q CA 0.368 56.269 55.803 0.164 0.000 0.985 315 Q CB -1.174 27.677 28.738 0.188 0.000 1.216 315 Q HN 0.655 nan 8.270 nan 0.000 0.415 316 P HA -0.145 nan 4.420 nan 0.000 0.222 316 P C 1.096 178.451 177.300 0.092 0.000 1.153 316 P CA 0.944 64.091 63.100 0.079 0.000 0.798 316 P CB 0.119 31.854 31.700 0.057 0.000 0.796 317 L N -2.246 119.039 121.223 0.103 0.000 2.240 317 L HA 0.059 4.399 4.340 -0.000 0.000 0.211 317 L C 1.202 178.167 176.870 0.159 0.000 1.106 317 L CA 0.595 55.499 54.840 0.107 0.000 0.793 317 L CB -0.411 41.698 42.059 0.085 0.000 0.927 317 L HN -0.070 nan 8.230 nan 0.000 0.446 318 F N 0.874 120.834 119.950 0.016 0.000 2.361 318 F HA 0.567 5.094 4.527 -0.000 0.000 0.364 318 F C 0.542 176.343 175.800 0.003 0.000 1.117 318 F CA -0.844 57.161 58.000 0.009 0.000 1.071 318 F CB 0.661 39.661 39.000 -0.001 0.000 1.188 318 F HN 0.034 nan 8.300 nan 0.000 0.464 319 A N 6.309 128.803 122.820 -0.543 0.000 2.815 319 A HA -0.155 4.165 4.320 -0.000 0.000 0.292 319 A C -1.782 175.706 177.584 -0.160 0.000 1.457 319 A CA 0.375 52.138 52.037 -0.457 0.000 0.735 319 A CB -2.230 16.423 19.000 -0.578 0.000 1.056 319 A HN 0.613 nan 8.150 nan 0.000 0.474 320 P HA -0.290 nan 4.420 nan 0.000 0.217 320 P C 1.268 178.595 177.300 0.045 0.000 1.148 320 P CA 1.834 64.965 63.100 0.051 0.000 0.834 320 P CB -0.465 31.303 31.700 0.113 0.000 0.783 321 N N -0.036 118.696 118.700 0.054 0.000 2.588 321 N HA -0.114 4.626 4.740 -0.000 0.000 0.190 321 N C 0.770 176.258 175.510 -0.037 0.000 1.094 321 N CA 0.623 53.702 53.050 0.049 0.000 0.921 321 N CB -0.595 37.909 38.487 0.028 0.000 0.959 321 N HN 0.317 nan 8.380 nan 0.000 0.448 322 I N 0.109 120.644 120.570 -0.059 0.000 2.619 322 I HA 0.319 4.489 4.170 -0.000 0.000 0.292 322 I C -1.341 174.736 176.117 -0.067 0.000 1.100 322 I CA -0.894 60.363 61.300 -0.072 0.000 1.043 322 I CB 1.870 39.824 38.000 -0.078 0.000 1.239 322 I HN -0.169 nan 8.210 nan 0.000 0.420 323 L N 6.248 127.419 121.223 -0.087 0.000 2.309 323 L HA 0.703 5.043 4.340 -0.000 0.000 0.282 323 L C -0.378 176.431 176.870 -0.102 0.000 1.036 323 L CA -0.485 54.309 54.840 -0.077 0.000 0.806 323 L CB 1.749 43.715 42.059 -0.156 0.000 1.220 323 L HN 0.598 nan 8.230 nan 0.000 0.429 324 T N -0.717 113.741 114.554 -0.159 0.000 2.933 324 T HA 0.889 5.239 4.350 -0.000 0.000 0.305 324 T C -0.306 174.033 174.700 -0.601 0.000 1.092 324 T CA -0.477 61.288 62.100 -0.559 0.000 1.008 324 T CB 2.318 70.634 68.868 -0.921 0.000 1.102 324 T HN 0.980 nan 8.240 nan 0.000 0.469 325 G N 0.931 109.282 108.800 -0.748 0.000 2.321 325 G HA2 0.552 4.512 3.960 -0.000 0.000 0.296 325 G HA3 0.552 4.512 3.960 -0.000 0.000 0.296 325 G C -2.273 172.488 174.900 -0.231 0.000 1.287 325 G CA -0.938 43.932 45.100 -0.385 0.000 0.846 325 G HN 0.664 nan 8.290 nan 0.000 0.508 326 F N -0.765 119.322 119.950 0.228 0.000 2.620 326 F HA 0.891 5.418 4.527 -0.000 0.000 0.320 326 F C 0.870 176.603 175.800 -0.111 0.000 1.069 326 F CA 0.338 58.344 58.000 0.011 0.000 0.953 326 F CB 2.327 41.095 39.000 -0.387 0.000 1.322 326 F HN 1.001 nan 8.300 nan 0.000 0.479 327 G N 0.335 109.174 108.800 0.066 0.000 2.899 327 G HA2 0.680 4.640 3.960 -0.000 0.000 0.137 327 G HA3 0.680 4.640 3.960 -0.000 0.000 0.137 327 G C -1.602 173.435 174.900 0.229 0.000 1.198 327 G CA -0.847 44.308 45.100 0.092 0.000 1.126 327 G HN 0.468 nan 8.290 nan 0.000 0.589 328 R N -1.217 119.411 120.500 0.213 0.000 2.566 328 R HA 0.584 4.924 4.340 -0.000 0.000 0.271 328 R C -1.953 174.404 176.300 0.095 0.000 1.071 328 R CA -0.533 55.652 56.100 0.142 0.000 0.915 328 R CB 2.785 33.143 30.300 0.096 0.000 1.228 328 R HN 0.321 nan 8.270 nan 0.000 0.449 329 V N 3.021 122.966 119.914 0.052 0.000 2.398 329 V HA 0.197 4.317 4.120 -0.000 0.000 0.282 329 V C 0.211 176.311 176.094 0.010 0.000 1.014 329 V CA -0.361 61.970 62.300 0.052 0.000 0.838 329 V CB 1.157 33.025 31.823 0.075 0.000 1.018 329 V HN 0.940 nan 8.190 nan 0.000 0.432 330 E N 3.518 123.722 120.200 0.007 0.000 2.791 330 E HA -0.299 4.051 4.350 -0.000 0.000 0.271 330 E C 1.254 177.795 176.600 -0.098 0.000 1.044 330 E CA 0.804 57.196 56.400 -0.015 0.000 0.814 330 E CB -1.137 28.562 29.700 -0.000 0.000 1.400 330 E HN 1.430 nan 8.360 nan 0.000 0.423 331 G N -0.151 108.528 108.800 -0.201 0.000 2.349 331 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.213 331 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.213 331 G C 0.285 174.918 174.900 -0.445 0.000 1.044 331 G CA 0.092 44.851 45.100 -0.568 0.000 0.633 331 G HN 0.162 nan 8.290 nan 0.000 0.506 332 R N 2.048 122.433 120.500 -0.192 0.000 2.390 332 R HA 0.533 4.873 4.340 -0.000 0.000 0.291 332 R C -2.444 173.858 176.300 0.004 0.000 1.070 332 R CA -1.501 54.543 56.100 -0.094 0.000 1.014 332 R CB 0.671 30.949 30.300 -0.038 0.000 1.007 332 R HN 0.175 nan 8.270 nan 0.000 0.466 333 P HA 0.015 nan 4.420 nan 0.000 0.268 333 P C -1.100 176.312 177.300 0.185 0.000 1.205 333 P CA -0.156 63.061 63.100 0.195 0.000 0.771 333 P CB 0.852 32.675 31.700 0.205 0.000 0.858 334 V N 0.364 120.421 119.914 0.238 0.000 2.888 334 V HA 0.889 5.009 4.120 -0.000 0.000 0.309 334 V C -0.161 176.118 176.094 0.309 0.000 1.114 334 V CA -0.969 61.468 62.300 0.228 0.000 0.940 334 V CB 1.895 33.818 31.823 0.167 0.000 1.021 334 V HN 0.591 nan 8.190 nan 0.000 0.426 335 G N 3.933 112.895 108.800 0.270 0.000 2.348 335 G HA2 0.679 4.639 3.960 -0.000 0.000 0.312 335 G HA3 0.679 4.639 3.960 -0.000 0.000 0.312 335 G C -0.671 174.381 174.900 0.253 0.000 1.126 335 G CA -0.662 44.582 45.100 0.240 0.000 0.865 335 G HN 0.741 nan 8.290 nan 0.000 0.474 336 I N 2.808 123.553 120.570 0.293 0.000 2.410 336 I HA 0.268 4.438 4.170 -0.000 0.000 0.286 336 I C -0.331 175.858 176.117 0.121 0.000 1.009 336 I CA -0.619 60.798 61.300 0.194 0.000 1.111 336 I CB 1.400 39.454 38.000 0.090 0.000 1.262 336 I HN 0.046 nan 8.210 nan 0.000 0.443 337 V N 4.909 124.907 119.914 0.141 0.000 2.630 337 V HA 0.926 5.046 4.120 -0.000 0.000 0.305 337 V C 0.175 176.324 176.094 0.092 0.000 1.046 337 V CA -0.501 61.843 62.300 0.074 0.000 0.934 337 V CB 1.952 33.842 31.823 0.112 0.000 1.003 337 V HN 0.924 nan 8.190 nan 0.000 0.451 338 A N 3.293 126.126 122.820 0.021 0.000 2.565 338 A HA 0.632 4.952 4.320 -0.000 0.000 0.298 338 A C -1.118 176.432 177.584 -0.056 0.000 1.062 338 A CA -0.863 51.181 52.037 0.012 0.000 0.723 338 A CB 1.028 19.996 19.000 -0.053 0.000 1.282 338 A HN 0.870 nan 8.150 nan 0.000 0.400 339 N N 1.430 120.096 118.700 -0.057 0.000 2.434 339 N HA 0.454 5.194 4.740 -0.000 0.000 0.272 339 N C -0.369 175.070 175.510 -0.119 0.000 1.040 339 N CA -0.389 52.612 53.050 -0.082 0.000 0.956 339 N CB 1.288 39.731 38.487 -0.074 0.000 1.108 339 N HN 0.632 nan 8.380 nan 0.000 0.481 340 Q N 4.169 123.906 119.800 -0.105 0.000 2.503 340 Q HA 0.321 4.661 4.340 -0.000 0.000 0.227 340 Q C -2.143 173.790 176.000 -0.112 0.000 1.109 340 Q CA -2.050 53.680 55.803 -0.121 0.000 0.922 340 Q CB 1.022 29.720 28.738 -0.066 0.000 1.249 340 Q HN 0.349 nan 8.270 nan 0.000 0.530 341 P HA -0.305 nan 4.420 nan 0.000 0.218 341 P C 0.997 178.231 177.300 -0.110 0.000 1.154 341 P CA 1.938 64.928 63.100 -0.183 0.000 0.872 341 P CB -0.032 31.440 31.700 -0.380 0.000 0.790 342 M N -1.683 117.853 119.600 -0.108 0.000 2.151 342 M HA -0.197 4.283 4.480 -0.000 0.000 0.256 342 M C 0.743 177.004 176.300 -0.064 0.000 1.072 342 M CA 1.743 57.004 55.300 -0.066 0.000 1.090 342 M CB -1.509 31.069 32.600 -0.037 0.000 1.294 342 M HN 0.061 nan 8.290 nan 0.000 0.415 343 Q N 0.007 119.792 119.800 -0.025 0.000 2.398 343 Q HA 0.275 4.615 4.340 -0.000 0.000 0.251 343 Q C -0.674 175.412 176.000 0.144 0.000 0.999 343 Q CA -0.231 55.558 55.803 -0.024 0.000 0.874 343 Q CB 0.655 29.454 28.738 0.102 0.000 1.215 343 Q HN 0.473 nan 8.270 nan 0.000 0.470 344 F N 0.583 120.506 119.950 -0.045 0.000 2.746 344 F HA -0.342 4.185 4.527 -0.000 0.000 0.315 344 F C 0.878 176.652 175.800 -0.044 0.000 0.666 344 F CA 0.690 58.663 58.000 -0.044 0.000 1.381 344 F CB -2.084 36.884 39.000 -0.054 0.000 1.739 344 F HN 0.706 nan 8.300 nan 0.000 0.322 345 A N -1.441 121.417 122.820 0.064 0.000 3.168 345 A HA 0.244 4.564 4.320 -0.000 0.000 0.249 345 A C 2.520 180.115 177.584 0.019 0.000 1.280 345 A CA 1.606 53.661 52.037 0.029 0.000 1.128 345 A CB -1.866 17.157 19.000 0.038 0.000 1.160 345 A HN 2.521 nan 8.150 nan 0.000 0.900 346 G N -2.826 105.991 108.800 0.028 0.000 2.162 346 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.260 346 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.260 346 G C 0.671 175.551 174.900 -0.034 0.000 0.976 346 G CA 0.622 45.712 45.100 -0.016 0.000 0.655 346 G HN 1.816 nan 8.290 nan 0.000 0.533 347 C N 1.361 120.657 119.300 -0.007 0.000 2.634 347 C HA 0.460 4.920 4.460 -0.000 0.000 0.418 347 C C 1.537 176.431 174.990 -0.160 0.000 1.373 347 C CA -0.473 58.505 59.018 -0.066 0.000 1.756 347 C CB -0.694 27.044 27.740 -0.003 0.000 2.589 347 C HN 0.484 nan 8.230 nan 0.000 0.602 348 L N 5.115 126.149 121.223 -0.315 0.000 2.452 348 L HA 0.386 4.726 4.340 -0.000 0.000 0.267 348 L C 0.358 177.073 176.870 -0.258 0.000 1.188 348 L CA 0.723 55.327 54.840 -0.392 0.000 0.821 348 L CB 0.396 42.018 42.059 -0.728 0.000 1.102 348 L HN 0.790 nan 8.230 nan 0.000 0.470 349 D N 1.492 121.807 120.400 -0.143 0.000 2.683 349 D HA 0.098 4.738 4.640 -0.000 0.000 0.246 349 D C 0.702 176.972 176.300 -0.050 0.000 1.238 349 D CA -0.668 53.293 54.000 -0.065 0.000 0.759 349 D CB 0.735 41.410 40.800 -0.207 0.000 1.349 349 D HN 0.373 nan 8.370 nan 0.000 0.426 350 I N 0.487 121.050 120.570 -0.011 0.000 2.147 350 I HA -0.396 3.774 4.170 -0.000 0.000 0.245 350 I C 2.475 178.583 176.117 -0.015 0.000 1.059 350 I CA 2.810 64.118 61.300 0.013 0.000 1.320 350 I CB -0.509 37.498 38.000 0.012 0.000 1.021 350 I HN 0.702 nan 8.210 nan 0.000 0.415 351 T N -0.937 113.551 114.554 -0.110 0.000 2.668 351 T HA -0.084 4.266 4.350 -0.000 0.000 0.262 351 T C 2.071 176.661 174.700 -0.182 0.000 1.045 351 T CA 0.927 62.914 62.100 -0.189 0.000 1.152 351 T CB -0.851 67.698 68.868 -0.532 0.000 0.864 351 T HN 0.368 nan 8.240 nan 0.000 0.419 352 A N 2.101 124.780 122.820 -0.234 0.000 1.894 352 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 352 A C 2.717 180.272 177.584 -0.048 0.000 1.237 352 A CA 2.998 54.943 52.037 -0.153 0.000 0.660 352 A CB -1.564 17.337 19.000 -0.165 0.000 0.835 352 A HN 0.582 nan 8.150 nan 0.000 0.461 353 S N -0.613 115.079 115.700 -0.014 0.000 2.368 353 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 353 S C 1.850 176.486 174.600 0.060 0.000 1.030 353 S CA 1.632 59.858 58.200 0.044 0.000 0.999 353 S CB -0.331 62.928 63.200 0.098 0.000 0.844 353 S HN 0.730 nan 8.310 nan 0.000 0.459 354 E N 0.842 121.086 120.200 0.074 0.000 2.112 354 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 354 E C 2.095 178.771 176.600 0.127 0.000 0.979 354 E CA 0.523 56.981 56.400 0.096 0.000 0.814 354 E CB -0.072 29.697 29.700 0.114 0.000 0.762 354 E HN 0.402 nan 8.360 nan 0.000 0.460 355 K N 1.131 121.631 120.400 0.167 0.000 2.044 355 K HA -0.188 4.132 4.320 -0.000 0.000 0.210 355 K C 2.036 178.722 176.600 0.144 0.000 1.049 355 K CA 1.561 57.962 56.287 0.190 0.000 0.927 355 K CB -0.093 32.510 32.500 0.172 0.000 0.713 355 K HN 0.086 nan 8.250 nan 0.000 0.443 356 A N 0.476 123.351 122.820 0.091 0.000 1.975 356 A HA 0.147 4.467 4.320 -0.000 0.000 0.215 356 A C 2.231 179.866 177.584 0.086 0.000 1.170 356 A CA 1.145 53.234 52.037 0.086 0.000 0.656 356 A CB -0.463 18.554 19.000 0.028 0.000 0.821 356 A HN 0.465 nan 8.150 nan 0.000 0.449 357 A N 0.412 123.266 122.820 0.056 0.000 1.865 357 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 357 A C 2.210 179.828 177.584 0.056 0.000 1.191 357 A CA 2.023 54.077 52.037 0.028 0.000 0.623 357 A CB -0.467 18.557 19.000 0.041 0.000 0.826 357 A HN 0.498 nan 8.150 nan 0.000 0.444 358 R N -1.882 118.674 120.500 0.094 0.000 2.115 358 R HA -0.048 4.292 4.340 -0.000 0.000 0.226 358 R C 1.796 178.187 176.300 0.152 0.000 1.100 358 R CA 1.425 57.580 56.100 0.092 0.000 0.980 358 R CB -0.476 29.870 30.300 0.078 0.000 0.875 358 R HN 0.489 nan 8.270 nan 0.000 0.445 359 F N -0.243 119.755 119.950 0.079 0.000 2.206 359 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 359 F C 1.734 177.597 175.800 0.105 0.000 1.090 359 F CA 1.143 59.229 58.000 0.143 0.000 1.323 359 F CB -0.186 38.889 39.000 0.125 0.000 1.028 359 F HN -0.177 nan 8.300 nan 0.000 0.492 360 V N 1.296 121.256 119.914 0.077 0.000 2.295 360 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 360 V C 2.599 178.653 176.094 -0.067 0.000 1.049 360 V CA 1.968 64.232 62.300 -0.059 0.000 1.024 360 V CB -0.604 31.118 31.823 -0.168 0.000 0.648 360 V HN 0.245 nan 8.190 nan 0.000 0.447 361 R N 0.054 120.537 120.500 -0.028 0.000 2.097 361 R HA -0.192 4.147 4.340 -0.000 0.000 0.236 361 R C 2.305 178.584 176.300 -0.035 0.000 1.135 361 R CA 2.223 58.312 56.100 -0.019 0.000 0.934 361 R CB -1.501 28.801 30.300 0.003 0.000 0.846 361 R HN 0.541 nan 8.270 nan 0.000 0.431 362 T N 1.008 115.554 114.554 -0.014 0.000 2.624 362 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 362 T C 2.001 176.773 174.700 0.121 0.000 1.041 362 T CA 1.753 63.892 62.100 0.065 0.000 1.159 362 T CB -0.395 68.541 68.868 0.114 0.000 0.863 362 T HN 0.394 nan 8.240 nan 0.000 0.434 363 C N 1.063 120.374 119.300 0.018 0.000 2.626 363 C HA 0.197 4.657 4.460 -0.000 0.000 0.266 363 C C 2.078 177.096 174.990 0.047 0.000 1.317 363 C CA -0.478 58.585 59.018 0.074 0.000 1.716 363 C CB -1.332 26.398 27.740 -0.017 0.000 1.819 363 C HN 0.649 nan 8.230 nan 0.000 0.578 364 D N 0.522 120.921 120.400 -0.001 0.000 2.423 364 D HA 0.149 4.789 4.640 -0.000 0.000 0.212 364 D C 2.042 178.307 176.300 -0.059 0.000 1.060 364 D CA 0.806 54.798 54.000 -0.014 0.000 0.872 364 D CB 0.130 40.918 40.800 -0.019 0.000 1.012 364 D HN 0.262 nan 8.370 nan 0.000 0.503 365 A N -0.112 122.626 122.820 -0.137 0.000 1.897 365 A HA 0.047 4.367 4.320 -0.000 0.000 0.215 365 A C 0.943 178.299 177.584 -0.380 0.000 1.181 365 A CA 0.669 52.508 52.037 -0.330 0.000 0.620 365 A CB -0.528 18.139 19.000 -0.554 0.000 0.821 365 A HN 0.279 nan 8.150 nan 0.000 0.443 366 F N 1.033 120.997 119.950 0.022 0.000 2.916 366 F HA 0.246 4.773 4.527 -0.000 0.000 0.294 366 F C 0.275 176.086 175.800 0.019 0.000 1.189 366 F CA -0.918 57.094 58.000 0.021 0.000 1.369 366 F CB -0.566 38.450 39.000 0.026 0.000 0.961 366 F HN 0.239 nan 8.300 nan 0.000 0.508 367 N N 0.218 118.991 118.700 0.122 0.000 2.705 367 N HA -0.171 4.569 4.740 -0.000 0.000 0.255 367 N C -0.934 174.638 175.510 0.103 0.000 1.008 367 N CA 0.389 53.492 53.050 0.088 0.000 0.742 367 N CB -1.453 37.079 38.487 0.075 0.000 0.906 367 N HN 0.118 nan 8.380 nan 0.000 0.541 368 V N 0.473 120.459 119.914 0.120 0.000 2.409 368 V HA 0.352 4.472 4.120 -0.000 0.000 0.291 368 V C -1.922 174.241 176.094 0.114 0.000 1.020 368 V CA -1.606 60.774 62.300 0.133 0.000 0.848 368 V CB 2.040 33.981 31.823 0.197 0.000 0.990 368 V HN -0.049 nan 8.190 nan 0.000 0.430 369 P HA 0.102 nan 4.420 nan 0.000 0.266 369 P C -0.642 176.720 177.300 0.103 0.000 1.195 369 P CA 0.155 63.306 63.100 0.085 0.000 0.768 369 P CB 0.566 32.311 31.700 0.075 0.000 0.838 370 V N 4.812 124.778 119.914 0.085 0.000 2.398 370 V HA 0.312 4.432 4.120 -0.000 0.000 0.286 370 V C 0.182 176.316 176.094 0.067 0.000 1.026 370 V CA -0.463 61.897 62.300 0.100 0.000 0.868 370 V CB 1.116 33.002 31.823 0.104 0.000 0.982 370 V HN 0.317 nan 8.190 nan 0.000 0.443 371 L N 4.798 126.059 121.223 0.064 0.000 2.294 371 L HA 0.524 4.864 4.340 -0.000 0.000 0.283 371 L C 0.246 177.048 176.870 -0.114 0.000 1.015 371 L CA -0.186 54.621 54.840 -0.055 0.000 0.831 371 L CB 1.573 43.627 42.059 -0.009 0.000 1.217 371 L HN 0.604 nan 8.230 nan 0.000 0.420 372 T N 1.925 116.332 114.554 -0.244 0.000 2.928 372 T HA 0.650 5.000 4.350 -0.000 0.000 0.284 372 T C -0.590 173.749 174.700 -0.603 0.000 1.008 372 T CA -0.226 61.754 62.100 -0.200 0.000 1.057 372 T CB 1.105 69.931 68.868 -0.070 0.000 1.018 372 T HN 0.105 nan 8.240 nan 0.000 0.493 373 F N 0.418 120.302 119.950 -0.109 0.000 2.547 373 F HA 0.553 5.080 4.527 -0.000 0.000 0.316 373 F C -0.528 175.170 175.800 -0.171 0.000 1.121 373 F CA -1.121 56.771 58.000 -0.180 0.000 0.911 373 F CB 1.797 40.672 39.000 -0.208 0.000 1.179 373 F HN 0.179 nan 8.300 nan 0.000 0.443 374 V N 2.311 122.191 119.914 -0.056 0.000 2.378 374 V HA 0.482 4.602 4.120 -0.000 0.000 0.288 374 V C -1.100 174.944 176.094 -0.083 0.000 1.016 374 V CA -0.438 61.815 62.300 -0.080 0.000 0.840 374 V CB 1.568 33.329 31.823 -0.104 0.000 0.994 374 V HN 0.728 nan 8.190 nan 0.000 0.431 375 D N 3.799 124.164 120.400 -0.057 0.000 2.934 375 D HA 0.217 4.857 4.640 -0.000 0.000 0.249 375 D C -1.495 174.793 176.300 -0.020 0.000 1.293 375 D CA 0.066 54.043 54.000 -0.038 0.000 0.812 375 D CB 1.588 42.345 40.800 -0.073 0.000 1.439 375 D HN 0.360 nan 8.370 nan 0.000 0.555 376 V N 3.790 123.710 119.914 0.011 0.000 2.524 376 V HA 0.503 4.623 4.120 -0.000 0.000 0.297 376 V C -1.921 174.238 176.094 0.108 0.000 1.035 376 V CA -1.925 60.382 62.300 0.012 0.000 0.867 376 V CB 2.474 34.268 31.823 -0.050 0.000 1.004 376 V HN 0.077 nan 8.190 nan 0.000 0.426 377 P HA 0.249 nan 4.420 nan 0.000 0.225 377 P C 0.638 178.038 177.300 0.166 0.000 1.156 377 P CA 1.590 64.797 63.100 0.178 0.000 0.787 377 P CB 0.366 32.112 31.700 0.078 0.000 0.802 378 G N -1.171 107.679 108.800 0.083 0.000 2.357 378 G HA2 0.153 4.113 3.960 -0.000 0.000 0.289 378 G HA3 0.153 4.113 3.960 -0.000 0.000 0.289 378 G C -1.662 173.234 174.900 -0.008 0.000 1.302 378 G CA -0.998 44.164 45.100 0.103 0.000 0.936 378 G HN -0.073 nan 8.290 nan 0.000 0.513 379 F N 0.588 120.561 119.950 0.040 0.000 2.384 379 F HA 0.566 5.093 4.527 -0.000 0.000 0.338 379 F C 1.393 177.195 175.800 0.004 0.000 1.103 379 F CA -0.551 57.458 58.000 0.015 0.000 1.157 379 F CB 1.141 40.148 39.000 0.012 0.000 1.167 379 F HN 0.309 nan 8.300 nan 0.000 0.529 380 L N 4.778 126.079 121.223 0.130 0.000 2.584 380 L HA 0.075 4.415 4.340 -0.000 0.000 0.272 380 L C -2.148 174.770 176.870 0.081 0.000 1.195 380 L CA -1.390 53.492 54.840 0.070 0.000 0.920 380 L CB -0.277 41.778 42.059 -0.008 0.000 1.173 380 L HN 0.322 nan 8.230 nan 0.000 0.489 381 P HA 0.434 nan 4.420 nan 0.000 0.293 381 P C -0.255 177.054 177.300 0.015 0.000 1.313 381 P CA -0.198 62.924 63.100 0.038 0.000 0.787 381 P CB 1.722 33.442 31.700 0.033 0.000 0.910 382 G N 0.634 109.431 108.800 -0.005 0.000 2.547 382 G HA2 0.276 4.236 3.960 -0.000 0.000 0.291 382 G HA3 0.276 4.236 3.960 -0.000 0.000 0.291 382 G C 0.079 174.937 174.900 -0.071 0.000 1.471 382 G CA -0.552 44.529 45.100 -0.032 0.000 0.798 382 G HN 0.161 nan 8.290 nan 0.000 0.504 383 V N 0.431 120.270 119.914 -0.124 0.000 3.129 383 V HA 0.024 4.144 4.120 -0.000 0.000 0.259 383 V C 2.104 177.996 176.094 -0.337 0.000 1.116 383 V CA 1.776 63.919 62.300 -0.263 0.000 1.127 383 V CB -0.160 31.471 31.823 -0.319 0.000 0.742 383 V HN 0.655 nan 8.190 nan 0.000 0.474 384 D N -0.045 120.258 120.400 -0.162 0.000 2.084 384 D HA -0.141 4.499 4.640 -0.000 0.000 0.196 384 D C 2.323 178.614 176.300 -0.016 0.000 0.985 384 D CA 1.031 54.989 54.000 -0.070 0.000 0.826 384 D CB -0.250 40.533 40.800 -0.029 0.000 0.978 384 D HN 0.281 nan 8.370 nan 0.000 0.456 385 Q N 0.296 120.084 119.800 -0.020 0.000 2.152 385 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 385 Q C 2.059 178.072 176.000 0.020 0.000 0.985 385 Q CA 1.277 57.083 55.803 0.005 0.000 0.863 385 Q CB -0.208 28.535 28.738 0.009 0.000 0.904 385 Q HN 0.334 nan 8.270 nan 0.000 0.422 386 E N -0.429 119.778 120.200 0.011 0.000 2.051 386 E HA -0.129 4.221 4.350 -0.000 0.000 0.189 386 E C 1.815 178.501 176.600 0.144 0.000 0.979 386 E CA 0.909 57.336 56.400 0.046 0.000 0.803 386 E CB -0.051 29.666 29.700 0.028 0.000 0.761 386 E HN 0.342 nan 8.360 nan 0.000 0.451 387 H N 0.671 119.738 119.070 -0.006 0.000 2.319 387 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 387 H C 0.855 176.181 175.328 -0.003 0.000 1.092 387 H CA 1.665 57.711 56.048 -0.004 0.000 1.302 387 H CB -0.293 29.469 29.762 -0.001 0.000 1.373 387 H HN 0.192 nan 8.280 nan 0.000 0.497 388 D N -0.296 120.185 120.400 0.135 0.000 2.323 388 D HA 0.140 4.780 4.640 -0.000 0.000 0.239 388 D C 0.616 176.944 176.300 0.047 0.000 1.129 388 D CA 0.744 54.788 54.000 0.073 0.000 0.865 388 D CB -0.470 40.365 40.800 0.059 0.000 0.913 388 D HN 0.510 nan 8.370 nan 0.000 0.517 389 G N 1.697 110.524 108.800 0.044 0.000 2.385 389 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.294 389 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.294 389 G C 0.968 175.879 174.900 0.019 0.000 1.070 389 G CA 0.198 45.312 45.100 0.022 0.000 1.172 389 G HN 0.351 nan 8.290 nan 0.000 0.516 390 I N 0.343 120.922 120.570 0.016 0.000 2.208 390 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 390 I C 2.567 178.671 176.117 -0.023 0.000 1.097 390 I CA 1.837 63.142 61.300 0.007 0.000 1.363 390 I CB -0.165 37.828 38.000 -0.011 0.000 1.051 390 I HN 0.566 nan 8.210 nan 0.000 0.413 391 I N 0.585 121.132 120.570 -0.038 0.000 2.286 391 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 391 I C 2.592 178.692 176.117 -0.028 0.000 1.115 391 I CA 1.758 63.025 61.300 -0.056 0.000 1.392 391 I CB -0.440 37.533 38.000 -0.045 0.000 1.065 391 I HN 0.356 nan 8.210 nan 0.000 0.418 392 R N 1.019 121.511 120.500 -0.013 0.000 2.112 392 R HA 0.020 4.360 4.340 -0.000 0.000 0.216 392 R C 1.927 178.228 176.300 0.003 0.000 1.080 392 R CA 0.641 56.736 56.100 -0.008 0.000 0.996 392 R CB -0.298 29.995 30.300 -0.013 0.000 0.902 392 R HN 0.217 nan 8.270 nan 0.000 0.449 393 R N 0.391 120.900 120.500 0.015 0.000 2.362 393 R HA 0.208 4.548 4.340 -0.000 0.000 0.227 393 R C 1.732 178.071 176.300 0.065 0.000 0.905 393 R CA 0.479 56.597 56.100 0.031 0.000 1.067 393 R CB 0.818 31.137 30.300 0.032 0.000 1.078 393 R HN 0.414 nan 8.270 nan 0.000 0.516 394 G N 0.495 109.340 108.800 0.077 0.000 2.662 394 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.212 394 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.212 394 G C 1.444 176.429 174.900 0.141 0.000 1.141 394 G CA 0.454 45.648 45.100 0.156 0.000 0.797 394 G HN 0.273 nan 8.290 nan 0.000 0.531 395 A N 1.402 124.270 122.820 0.080 0.000 1.933 395 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 395 A C 2.211 179.874 177.584 0.132 0.000 1.175 395 A CA 1.906 54.000 52.037 0.095 0.000 0.628 395 A CB -0.348 18.690 19.000 0.063 0.000 0.814 395 A HN 0.348 nan 8.150 nan 0.000 0.444 396 K N -0.952 119.500 120.400 0.088 0.000 2.089 396 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 396 K C 1.865 178.544 176.600 0.132 0.000 1.048 396 K CA 1.592 57.922 56.287 0.072 0.000 0.926 396 K CB -0.399 32.116 32.500 0.025 0.000 0.714 396 K HN 0.424 nan 8.250 nan 0.000 0.448 397 L N 1.436 122.735 121.223 0.127 0.000 2.017 397 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 397 L C 2.085 179.070 176.870 0.192 0.000 1.073 397 L CA 1.337 56.244 54.840 0.111 0.000 0.745 397 L CB -0.518 41.621 42.059 0.133 0.000 0.894 397 L HN 0.253 nan 8.230 nan 0.000 0.432 398 I N -1.733 118.981 120.570 0.241 0.000 2.208 398 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 398 I C 2.327 178.573 176.117 0.215 0.000 1.097 398 I CA 2.013 63.457 61.300 0.240 0.000 1.363 398 I CB -0.840 37.259 38.000 0.166 0.000 1.051 398 I HN 0.264 nan 8.210 nan 0.000 0.413 399 F N 1.012 121.003 119.950 0.068 0.000 2.325 399 F HA 0.041 4.568 4.527 -0.000 0.000 0.299 399 F C 2.294 178.111 175.800 0.028 0.000 1.090 399 F CA 1.120 59.145 58.000 0.041 0.000 1.392 399 F CB -0.143 38.872 39.000 0.026 0.000 1.053 399 F HN 0.189 nan 8.300 nan 0.000 0.521 400 A N -0.427 122.556 122.820 0.272 0.000 1.874 400 A HA -0.123 4.197 4.320 -0.000 0.000 0.214 400 A C 1.846 179.438 177.584 0.015 0.000 1.189 400 A CA 1.188 53.297 52.037 0.119 0.000 0.615 400 A CB -1.340 17.661 19.000 0.001 0.000 0.830 400 A HN 0.442 nan 8.150 nan 0.000 0.443 401 Y N 0.164 120.484 120.300 0.033 0.000 2.053 401 Y HA -0.205 4.345 4.550 -0.000 0.000 0.277 401 Y C 2.990 178.855 175.900 -0.058 0.000 1.159 401 Y CA 1.159 59.251 58.100 -0.015 0.000 1.125 401 Y CB -0.874 37.571 38.460 -0.026 0.000 0.969 401 Y HN 0.313 nan 8.280 nan 0.000 0.492 402 A N -0.462 122.406 122.820 0.080 0.000 2.019 402 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 402 A C 2.187 179.704 177.584 -0.112 0.000 1.164 402 A CA 1.712 53.720 52.037 -0.048 0.000 0.644 402 A CB -0.685 18.245 19.000 -0.116 0.000 0.805 402 A HN 0.597 nan 8.150 nan 0.000 0.449 403 E N 0.036 120.149 120.200 -0.145 0.000 2.158 403 E HA 0.133 4.483 4.350 -0.000 0.000 0.191 403 E C 0.905 177.470 176.600 -0.057 0.000 0.982 403 E CA 0.458 56.767 56.400 -0.151 0.000 0.823 403 E CB -0.136 29.483 29.700 -0.136 0.000 0.766 403 E HN 0.525 nan 8.360 nan 0.000 0.468 404 A N 0.830 123.639 122.820 -0.017 0.000 2.401 404 A HA 0.194 4.514 4.320 -0.000 0.000 0.259 404 A C 0.609 178.194 177.584 0.001 0.000 1.103 404 A CA 0.300 52.337 52.037 -0.000 0.000 0.789 404 A CB 0.462 19.473 19.000 0.018 0.000 1.035 404 A HN 0.301 nan 8.150 nan 0.000 0.491 405 T N -0.515 114.037 114.554 -0.003 0.000 3.252 405 T HA 0.389 4.739 4.350 -0.000 0.000 0.286 405 T C 0.089 174.792 174.700 0.006 0.000 1.013 405 T CA 0.396 62.494 62.100 -0.003 0.000 0.914 405 T CB -1.099 67.762 68.868 -0.012 0.000 1.131 405 T HN 1.331 nan 8.240 nan 0.000 0.529 406 V N -1.187 118.736 119.914 0.015 0.000 2.532 406 V HA 0.726 4.846 4.120 -0.000 0.000 0.295 406 V C -3.043 173.069 176.094 0.030 0.000 1.041 406 V CA -3.150 59.164 62.300 0.024 0.000 0.926 406 V CB 1.120 32.964 31.823 0.034 0.000 0.992 406 V HN -0.075 nan 8.190 nan 0.000 0.457 407 P HA 0.187 nan 4.420 nan 0.000 0.260 407 P C -0.778 176.539 177.300 0.029 0.000 1.172 407 P CA 0.555 63.669 63.100 0.024 0.000 0.760 407 P CB 0.133 31.848 31.700 0.024 0.000 0.773 408 L N 5.090 126.323 121.223 0.018 0.000 2.313 408 L HA 0.539 4.879 4.340 -0.000 0.000 0.283 408 L C 0.156 177.011 176.870 -0.024 0.000 1.013 408 L CA -0.410 54.439 54.840 0.015 0.000 0.816 408 L CB 0.999 43.075 42.059 0.028 0.000 1.236 408 L HN 0.226 nan 8.230 nan 0.000 0.419 409 I N 2.338 122.881 120.570 -0.045 0.000 2.478 409 I HA 0.361 4.531 4.170 -0.000 0.000 0.287 409 I C -0.554 175.458 176.117 -0.175 0.000 1.042 409 I CA -0.248 60.998 61.300 -0.089 0.000 1.067 409 I CB 2.257 40.220 38.000 -0.062 0.000 1.233 409 I HN 0.513 nan 8.210 nan 0.000 0.431 410 T N 5.375 119.810 114.554 -0.199 0.000 2.855 410 T HA 0.595 4.945 4.350 -0.000 0.000 0.281 410 T C -0.334 174.189 174.700 -0.295 0.000 1.007 410 T CA -0.550 61.388 62.100 -0.271 0.000 1.009 410 T CB 2.410 71.134 68.868 -0.241 0.000 0.983 410 T HN 0.232 nan 8.240 nan 0.000 0.455 411 V N 4.104 123.774 119.914 -0.406 0.000 2.419 411 V HA 0.397 4.517 4.120 -0.000 0.000 0.287 411 V C -0.216 175.646 176.094 -0.387 0.000 1.017 411 V CA -0.823 61.248 62.300 -0.382 0.000 0.844 411 V CB 1.177 32.754 31.823 -0.409 0.000 1.011 411 V HN 0.826 nan 8.190 nan 0.000 0.429 412 I N 4.643 125.018 120.570 -0.325 0.000 2.363 412 I HA 0.153 4.323 4.170 -0.000 0.000 0.292 412 I C 1.725 177.578 176.117 -0.441 0.000 1.075 412 I CA 0.094 61.220 61.300 -0.290 0.000 1.333 412 I CB 1.369 39.258 38.000 -0.185 0.000 1.415 412 I HN 0.810 nan 8.210 nan 0.000 0.502 413 T N 3.028 117.310 114.554 -0.453 0.000 2.852 413 T HA -0.016 4.334 4.350 -0.000 0.000 0.256 413 T C 1.640 176.285 174.700 -0.092 0.000 1.038 413 T CA 0.675 62.466 62.100 -0.515 0.000 1.141 413 T CB 0.234 68.870 68.868 -0.387 0.000 0.869 413 T HN 0.648 nan 8.240 nan 0.000 0.439 414 R N 0.112 120.596 120.500 -0.027 0.000 4.480 414 R HA 0.383 4.723 4.340 -0.000 0.000 0.131 414 R C -0.451 175.865 176.300 0.028 0.000 1.015 414 R CA -0.281 55.857 56.100 0.062 0.000 0.941 414 R CB 0.797 31.207 30.300 0.183 0.000 1.426 414 R HN 0.016 nan 8.270 nan 0.000 0.435 415 K N 0.462 120.888 120.400 0.043 0.000 2.292 415 K HA 0.580 4.900 4.320 -0.000 0.000 0.257 415 K C -1.713 174.850 176.600 -0.062 0.000 0.940 415 K CA -0.333 56.007 56.287 0.089 0.000 0.811 415 K CB 2.123 34.797 32.500 0.291 0.000 1.120 415 K HN 0.364 nan 8.250 nan 0.000 0.428 416 A N 4.584 127.162 122.820 -0.403 0.000 3.158 416 A HA 0.412 4.732 4.320 -0.000 0.000 0.302 416 A C -1.493 175.818 177.584 -0.455 0.000 1.162 416 A CA -0.594 51.270 52.037 -0.289 0.000 0.824 416 A CB -0.085 18.786 19.000 -0.215 0.000 1.322 416 A HN 0.556 nan 8.150 nan 0.000 0.510 417 F N 0.906 120.906 119.950 0.083 0.000 2.467 417 F HA 0.642 5.169 4.527 -0.000 0.000 0.336 417 F C 1.247 177.133 175.800 0.143 0.000 1.123 417 F CA 0.583 58.636 58.000 0.089 0.000 0.964 417 F CB 1.929 40.970 39.000 0.068 0.000 1.136 417 F HN 0.933 nan 8.300 nan 0.000 0.447 418 G N 2.335 111.320 108.800 0.308 0.000 2.565 418 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.295 418 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.295 418 G C 1.274 176.332 174.900 0.263 0.000 1.165 418 G CA 0.164 45.418 45.100 0.257 0.000 0.977 418 G HN 1.174 nan 8.290 nan 0.000 0.546 419 G N 0.125 109.074 108.800 0.249 0.000 2.422 419 G HA2 0.303 4.263 3.960 -0.000 0.000 0.218 419 G HA3 0.303 4.263 3.960 -0.000 0.000 0.218 419 G C 2.111 177.211 174.900 0.333 0.000 1.140 419 G CA 2.764 48.011 45.100 0.246 0.000 0.775 419 G HN 1.821 nan 8.290 nan 0.000 0.545 420 A N 0.304 123.362 122.820 0.396 0.000 1.930 420 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 420 A C 2.152 179.802 177.584 0.110 0.000 1.175 420 A CA 1.686 53.833 52.037 0.183 0.000 0.627 420 A CB -0.696 18.303 19.000 -0.001 0.000 0.815 420 A HN 0.517 nan 8.150 nan 0.000 0.443 421 Y N 0.999 121.321 120.300 0.036 0.000 2.114 421 Y HA -0.249 4.301 4.550 -0.000 0.000 0.282 421 Y C 1.853 177.739 175.900 -0.023 0.000 1.165 421 Y CA 1.930 60.014 58.100 -0.027 0.000 1.148 421 Y CB -0.542 37.895 38.460 -0.037 0.000 0.972 421 Y HN 0.228 nan 8.280 nan 0.000 0.504 422 L N -0.890 120.156 121.223 -0.294 0.000 1.970 422 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 422 L C 2.463 179.181 176.870 -0.253 0.000 1.071 422 L CA 1.523 56.149 54.840 -0.356 0.000 0.751 422 L CB -1.245 40.751 42.059 -0.105 0.000 0.889 422 L HN 0.145 nan 8.230 nan 0.000 0.432 423 V N -0.656 119.227 119.914 -0.051 0.000 2.226 423 V HA -0.323 3.797 4.120 -0.000 0.000 0.254 423 V C 1.667 177.702 176.094 -0.099 0.000 1.065 423 V CA 1.587 63.920 62.300 0.055 0.000 1.039 423 V CB -0.560 31.363 31.823 0.166 0.000 0.653 423 V HN 0.410 nan 8.190 nan 0.000 0.450 424 M N 0.926 120.423 119.600 -0.172 0.000 3.445 424 M HA 0.226 4.706 4.480 -0.000 0.000 0.224 424 M C 1.262 177.186 176.300 -0.626 0.000 1.551 424 M CA 0.575 55.759 55.300 -0.193 0.000 1.671 424 M CB -1.336 31.207 32.600 -0.094 0.000 1.159 424 M HN 0.580 nan 8.290 nan 0.000 0.547 425 G N 2.433 110.199 108.800 -1.724 0.000 2.395 425 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.300 425 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.300 425 G C 0.468 174.939 174.900 -0.714 0.000 0.998 425 G CA 0.602 44.782 45.100 -1.534 0.000 1.046 425 G HN 0.766 nan 8.290 nan 0.000 0.513 426 S N -1.279 114.010 115.700 -0.684 0.000 2.600 426 S HA 0.412 4.882 4.470 -0.000 0.000 0.265 426 S C 1.446 175.760 174.600 -0.476 0.000 1.325 426 S CA 0.247 58.086 58.200 -0.601 0.000 1.002 426 S CB 1.729 64.427 63.200 -0.837 0.000 0.921 426 S HN 0.547 nan 8.310 nan 0.000 0.554 427 K N 0.030 120.133 120.400 -0.494 0.000 2.211 427 K HA -0.137 4.183 4.320 -0.000 0.000 0.203 427 K C 1.653 178.037 176.600 -0.360 0.000 1.050 427 K CA 1.172 57.232 56.287 -0.378 0.000 0.945 427 K CB -0.304 32.006 32.500 -0.316 0.000 0.732 427 K HN 0.738 nan 8.250 nan 0.000 0.451 428 H N 0.449 119.369 119.070 -0.250 0.000 2.387 428 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 428 H C 1.212 176.435 175.328 -0.175 0.000 1.099 428 H CA 1.089 57.002 56.048 -0.226 0.000 1.315 428 H CB -0.103 29.496 29.762 -0.272 0.000 1.380 428 H HN 0.197 nan 8.280 nan 0.000 0.513 429 L N 0.605 121.769 121.223 -0.099 0.000 2.888 429 L HA 0.215 4.555 4.340 -0.000 0.000 0.237 429 L C 0.879 177.695 176.870 -0.090 0.000 1.288 429 L CA 0.104 54.892 54.840 -0.088 0.000 1.110 429 L CB 0.013 42.021 42.059 -0.086 0.000 1.441 429 L HN 0.338 nan 8.230 nan 0.000 0.474 430 G N 0.370 109.111 108.800 -0.098 0.000 2.198 430 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.257 430 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.257 430 G C 0.335 175.193 174.900 -0.070 0.000 1.042 430 G CA 0.091 45.149 45.100 -0.071 0.000 0.791 430 G HN 0.565 nan 8.290 nan 0.000 0.502 431 A N -0.130 122.620 122.820 -0.117 0.000 2.409 431 A HA 0.579 4.899 4.320 -0.000 0.000 0.262 431 A C 1.279 178.809 177.584 -0.088 0.000 1.113 431 A CA 0.546 52.517 52.037 -0.110 0.000 0.790 431 A CB 0.435 19.322 19.000 -0.188 0.000 1.046 431 A HN 0.266 nan 8.150 nan 0.000 0.496 432 D N 1.488 121.854 120.400 -0.056 0.000 2.081 432 D HA -0.070 4.570 4.640 -0.000 0.000 0.194 432 D C 0.226 176.499 176.300 -0.044 0.000 0.986 432 D CA 1.574 55.551 54.000 -0.038 0.000 0.837 432 D CB -0.024 40.765 40.800 -0.019 0.000 0.985 432 D HN 0.505 nan 8.370 nan 0.000 0.448 433 L N 1.235 122.430 121.223 -0.047 0.000 2.342 433 L HA 0.326 4.666 4.340 -0.000 0.000 0.276 433 L C -0.999 175.827 176.870 -0.073 0.000 0.997 433 L CA -0.559 54.256 54.840 -0.041 0.000 0.838 433 L CB 1.523 43.577 42.059 -0.009 0.000 1.224 433 L HN -0.225 nan 8.230 nan 0.000 0.416 434 N N 3.784 122.436 118.700 -0.081 0.000 2.444 434 N HA 0.589 5.329 4.740 -0.000 0.000 0.262 434 N C -1.087 174.363 175.510 -0.099 0.000 0.974 434 N CA -0.533 52.454 53.050 -0.105 0.000 0.933 434 N CB 1.496 39.921 38.487 -0.103 0.000 1.137 434 N HN 0.225 nan 8.380 nan 0.000 0.498 435 L N 1.517 122.666 121.223 -0.124 0.000 2.334 435 L HA 0.877 5.216 4.340 -0.000 0.000 0.272 435 L C -0.004 176.797 176.870 -0.114 0.000 1.020 435 L CA -1.277 53.491 54.840 -0.120 0.000 0.812 435 L CB 1.188 43.174 42.059 -0.121 0.000 1.264 435 L HN 0.567 nan 8.230 nan 0.000 0.439 436 A N 0.877 123.660 122.820 -0.061 0.000 2.427 436 A HA 0.688 5.008 4.320 -0.000 0.000 0.298 436 A C -1.595 176.068 177.584 0.132 0.000 1.036 436 A CA -0.589 51.412 52.037 -0.060 0.000 0.701 436 A CB 0.716 19.642 19.000 -0.123 0.000 1.250 436 A HN 0.480 nan 8.150 nan 0.000 0.412 437 W N 2.086 123.325 121.300 -0.101 0.000 2.215 437 W HA 0.435 5.095 4.660 0.000 0.000 0.342 437 W C -1.959 174.493 176.519 -0.112 0.000 1.237 437 W CA -1.923 55.372 57.345 -0.083 0.000 1.283 437 W CB -0.261 29.170 29.460 -0.048 0.000 1.131 437 W HN 0.495 nan 8.180 nan 0.000 0.606 438 P HA -0.158 nan 4.420 nan 0.000 0.220 438 P C 1.234 178.564 177.300 0.050 0.000 1.144 438 P CA 2.412 65.543 63.100 0.053 0.000 0.800 438 P CB -0.019 31.729 31.700 0.080 0.000 0.772 439 T N -4.658 109.963 114.554 0.111 0.000 3.122 439 T HA 0.445 4.795 4.350 -0.000 0.000 0.250 439 T C 0.775 175.514 174.700 0.065 0.000 1.067 439 T CA -0.384 61.773 62.100 0.096 0.000 0.966 439 T CB -0.523 68.418 68.868 0.122 0.000 1.002 439 T HN 0.004 nan 8.240 nan 0.000 0.542 440 A N 1.862 124.688 122.820 0.010 0.000 2.488 440 A HA 0.469 4.789 4.320 -0.000 0.000 0.249 440 A C 0.070 177.584 177.584 -0.116 0.000 1.083 440 A CA -0.462 51.528 52.037 -0.078 0.000 0.768 440 A CB 0.110 19.028 19.000 -0.137 0.000 1.017 440 A HN 0.654 nan 8.150 nan 0.000 0.496 441 Q N 1.842 121.553 119.800 -0.148 0.000 2.339 441 Q HA 0.580 4.920 4.340 -0.000 0.000 0.268 441 Q C -1.360 174.249 176.000 -0.650 0.000 1.027 441 Q CA -0.021 55.665 55.803 -0.194 0.000 0.759 441 Q CB 1.940 30.769 28.738 0.151 0.000 1.244 441 Q HN 0.681 nan 8.270 nan 0.000 0.464 442 I N 2.080 122.340 120.570 -0.516 0.000 2.437 442 I HA 0.751 4.921 4.170 -0.000 0.000 0.279 442 I C -0.676 175.192 176.117 -0.414 0.000 1.028 442 I CA -0.612 60.313 61.300 -0.624 0.000 1.142 442 I CB 1.331 39.017 38.000 -0.525 0.000 1.266 442 I HN 0.633 nan 8.210 nan 0.000 0.461 443 A N 4.411 127.009 122.820 -0.370 0.000 2.594 443 A HA 0.555 4.875 4.320 -0.000 0.000 0.295 443 A C 0.513 178.251 177.584 0.256 0.000 1.071 443 A CA -0.491 51.607 52.037 0.103 0.000 0.685 443 A CB 1.418 20.699 19.000 0.469 0.000 1.285 443 A HN 0.293 nan 8.150 nan 0.000 0.405 444 V N 0.750 120.804 119.914 0.233 0.000 2.317 444 V HA -0.139 3.981 4.120 -0.000 0.000 0.251 444 V C 0.976 177.221 176.094 0.253 0.000 1.065 444 V CA 2.882 65.305 62.300 0.205 0.000 1.049 444 V CB -1.079 30.836 31.823 0.154 0.000 0.651 444 V HN 1.096 nan 8.190 nan 0.000 0.450 445 M N -3.109 116.664 119.600 0.288 0.000 2.822 445 M HA 0.531 5.011 4.480 -0.000 0.000 0.275 445 M C -0.232 176.031 176.300 -0.062 0.000 1.084 445 M CA -0.272 55.108 55.300 0.134 0.000 0.814 445 M CB 0.977 33.608 32.600 0.051 0.000 1.693 445 M HN 0.063 nan 8.290 nan 0.000 0.531 446 G N 0.944 109.560 108.800 -0.308 0.000 2.583 446 G HA2 0.330 4.290 3.960 -0.000 0.000 0.230 446 G HA3 0.330 4.290 3.960 -0.000 0.000 0.230 446 G C 0.853 175.611 174.900 -0.236 0.000 1.249 446 G CA 0.192 45.034 45.100 -0.430 0.000 0.857 446 G HN 1.243 nan 8.290 nan 0.000 0.569 447 A N 0.946 123.673 122.820 -0.154 0.000 1.873 447 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 447 A C 2.314 179.768 177.584 -0.217 0.000 1.193 447 A CA 2.366 54.321 52.037 -0.137 0.000 0.629 447 A CB -0.917 18.128 19.000 0.075 0.000 0.826 447 A HN 0.823 nan 8.150 nan 0.000 0.447 448 Q N -0.892 118.833 119.800 -0.126 0.000 2.062 448 Q HA -0.190 4.150 4.340 -0.000 0.000 0.209 448 Q C 2.043 177.972 176.000 -0.118 0.000 0.996 448 Q CA 2.338 58.084 55.803 -0.095 0.000 0.859 448 Q CB -0.683 28.013 28.738 -0.069 0.000 0.920 448 Q HN 0.600 nan 8.270 nan 0.000 0.415 449 G N -0.367 108.353 108.800 -0.133 0.000 2.432 449 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.219 449 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.219 449 G C 1.384 176.188 174.900 -0.160 0.000 1.135 449 G CA 0.849 45.879 45.100 -0.118 0.000 0.767 449 G HN 0.523 nan 8.290 nan 0.000 0.550 450 A N 0.539 123.193 122.820 -0.277 0.000 1.872 450 A HA 0.095 4.415 4.320 -0.000 0.000 0.214 450 A C 2.634 179.992 177.584 -0.378 0.000 1.187 450 A CA 2.140 53.928 52.037 -0.415 0.000 0.614 450 A CB -0.799 17.660 19.000 -0.901 0.000 0.826 450 A HN 0.923 nan 8.150 nan 0.000 0.442 451 V N -1.460 118.255 119.914 -0.331 0.000 3.041 451 V HA -0.075 4.045 4.120 -0.000 0.000 0.260 451 V C 1.484 177.576 176.094 -0.003 0.000 1.105 451 V CA 2.182 64.416 62.300 -0.110 0.000 1.125 451 V CB -1.005 30.895 31.823 0.128 0.000 0.730 451 V HN 0.406 nan 8.190 nan 0.000 0.479 452 N N 0.725 119.393 118.700 -0.053 0.000 2.396 452 N HA 0.136 4.876 4.740 -0.000 0.000 0.180 452 N C 1.518 177.012 175.510 -0.027 0.000 1.028 452 N CA 1.856 54.892 53.050 -0.023 0.000 0.893 452 N CB -0.088 38.377 38.487 -0.037 0.000 0.967 452 N HN 0.608 nan 8.380 nan 0.000 0.440 453 I N -0.938 119.594 120.570 -0.064 0.000 3.445 453 I HA 0.062 4.232 4.170 -0.000 0.000 0.288 453 I C 0.821 176.898 176.117 -0.068 0.000 1.198 453 I CA 0.356 61.623 61.300 -0.055 0.000 1.417 453 I CB 0.412 38.376 38.000 -0.060 0.000 1.205 453 I HN -0.094 nan 8.210 nan 0.000 0.448 454 L N 0.281 121.423 121.223 -0.134 0.000 2.700 454 L HA 0.177 4.517 4.340 -0.000 0.000 0.234 454 L C 1.338 178.020 176.870 -0.314 0.000 1.156 454 L CA 0.167 54.895 54.840 -0.187 0.000 0.946 454 L CB -0.115 41.819 42.059 -0.208 0.000 1.216 454 L HN 0.262 nan 8.230 nan 0.000 0.493 455 H N -1.191 117.870 119.070 -0.014 0.000 3.241 455 H HA 0.155 4.711 4.556 -0.000 0.000 0.260 455 H C 1.909 177.233 175.328 -0.006 0.000 1.084 455 H CA -0.040 56.005 56.048 -0.004 0.000 1.203 455 H CB 0.507 30.266 29.762 -0.006 0.000 1.524 455 H HN 0.197 nan 8.280 nan 0.000 0.521 456 R N 1.420 121.972 120.500 0.085 0.000 2.178 456 R HA -0.235 4.105 4.340 -0.000 0.000 0.257 456 R C 1.621 177.950 176.300 0.049 0.000 1.163 456 R CA 1.631 57.763 56.100 0.053 0.000 0.981 456 R CB 0.142 30.455 30.300 0.022 0.000 0.878 456 R HN -0.029 nan 8.270 nan 0.000 0.454 457 R N 0.020 120.551 120.500 0.052 0.000 2.092 457 R HA -0.074 4.266 4.340 -0.000 0.000 0.226 457 R C 2.532 178.854 176.300 0.035 0.000 1.140 457 R CA 2.115 58.237 56.100 0.038 0.000 0.910 457 R CB -1.548 28.775 30.300 0.038 0.000 0.822 457 R HN 0.486 nan 8.270 nan 0.000 0.433 458 T N -0.209 114.373 114.554 0.048 0.000 3.155 458 T HA -0.058 4.292 4.350 -0.000 0.000 0.264 458 T C 1.542 176.238 174.700 -0.006 0.000 1.160 458 T CA 0.694 62.806 62.100 0.021 0.000 1.075 458 T CB -0.243 68.640 68.868 0.024 0.000 0.921 458 T HN 0.149 nan 8.240 nan 0.000 0.533 459 I N 0.788 121.362 120.570 0.007 0.000 2.628 459 I HA 0.450 4.620 4.170 -0.000 0.000 0.255 459 I C 2.471 178.587 176.117 -0.001 0.000 1.119 459 I CA 0.755 62.051 61.300 -0.007 0.000 1.448 459 I CB -0.714 37.290 38.000 0.006 0.000 1.133 459 I HN 0.203 nan 8.210 nan 0.000 0.438 460 A N -0.359 122.465 122.820 0.008 0.000 1.972 460 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 460 A C 1.048 178.633 177.584 0.002 0.000 1.169 460 A CA 0.940 52.980 52.037 0.005 0.000 0.635 460 A CB -1.082 17.923 19.000 0.008 0.000 0.810 460 A HN 0.496 nan 8.150 nan 0.000 0.446 461 D N -0.479 119.922 120.400 0.002 0.000 2.488 461 D HA 0.370 5.010 4.640 -0.000 0.000 0.238 461 D C 0.621 176.919 176.300 -0.004 0.000 1.138 461 D CA 1.449 55.449 54.000 -0.000 0.000 0.873 461 D CB 0.236 41.036 40.800 0.001 0.000 1.183 461 D HN 0.821 nan 8.370 nan 0.000 0.458 462 A N 2.894 125.712 122.820 -0.004 0.000 2.136 462 A HA -0.107 4.213 4.320 -0.000 0.000 0.274 462 A C 1.646 179.226 177.584 -0.007 0.000 1.388 462 A CA 0.885 52.919 52.037 -0.005 0.000 0.741 462 A CB -1.666 17.330 19.000 -0.007 0.000 1.173 462 A HN 0.769 nan 8.150 nan 0.000 0.329 463 G N 0.266 109.063 108.800 -0.005 0.000 2.564 463 G HA2 0.061 4.021 3.960 -0.000 0.000 0.216 463 G HA3 0.061 4.021 3.960 -0.000 0.000 0.216 463 G C 0.212 175.108 174.900 -0.007 0.000 1.124 463 G CA 0.811 45.907 45.100 -0.006 0.000 0.764 463 G HN 0.808 nan 8.290 nan 0.000 0.550 464 D N 2.160 122.556 120.400 -0.007 0.000 2.349 464 D HA 0.296 4.936 4.640 -0.000 0.000 0.266 464 D C -0.158 176.136 176.300 -0.009 0.000 1.293 464 D CA 0.292 54.288 54.000 -0.007 0.000 0.926 464 D CB 0.444 41.240 40.800 -0.006 0.000 1.090 464 D HN 0.147 nan 8.370 nan 0.000 0.502 465 D N 1.112 121.506 120.400 -0.010 0.000 2.778 465 D HA -0.159 4.481 4.640 -0.000 0.000 0.246 465 D C 0.797 177.087 176.300 -0.017 0.000 1.107 465 D CA 0.806 54.798 54.000 -0.013 0.000 0.732 465 D CB -1.231 39.561 40.800 -0.014 0.000 1.055 465 D HN 0.410 nan 8.370 nan 0.000 0.429 466 A N 0.448 123.259 122.820 -0.014 0.000 1.832 466 A HA -0.019 4.301 4.320 -0.000 0.000 0.214 466 A C 1.936 179.510 177.584 -0.017 0.000 1.242 466 A CA 1.209 53.236 52.037 -0.015 0.000 0.603 466 A CB -0.190 18.804 19.000 -0.010 0.000 0.902 466 A HN 0.196 nan 8.150 nan 0.000 0.455 467 E N 0.620 120.812 120.200 -0.013 0.000 2.267 467 E HA -0.040 4.310 4.350 -0.000 0.000 0.197 467 E C 1.941 178.532 176.600 -0.015 0.000 0.998 467 E CA 1.191 57.584 56.400 -0.012 0.000 0.830 467 E CB -0.479 29.215 29.700 -0.009 0.000 0.751 467 E HN 0.562 nan 8.360 nan 0.000 0.491 468 A N 0.529 123.339 122.820 -0.016 0.000 1.832 468 A HA -0.159 4.161 4.320 -0.000 0.000 0.214 468 A C 2.424 179.993 177.584 -0.026 0.000 1.204 468 A CA 2.152 54.179 52.037 -0.017 0.000 0.606 468 A CB -1.319 17.672 19.000 -0.015 0.000 0.849 468 A HN 0.395 nan 8.150 nan 0.000 0.445 469 T N -2.072 112.461 114.554 -0.036 0.000 2.996 469 T HA -0.164 4.186 4.350 -0.000 0.000 0.271 469 T C 1.706 176.361 174.700 -0.076 0.000 1.126 469 T CA 1.634 63.700 62.100 -0.057 0.000 1.103 469 T CB -0.259 68.570 68.868 -0.066 0.000 0.870 469 T HN 0.556 nan 8.240 nan 0.000 0.528 470 R N 0.387 120.856 120.500 -0.051 0.000 2.175 470 R HA 0.467 4.807 4.340 -0.000 0.000 0.202 470 R C 2.632 178.920 176.300 -0.020 0.000 1.018 470 R CA 0.765 56.839 56.100 -0.044 0.000 1.029 470 R CB -0.579 29.707 30.300 -0.023 0.000 0.959 470 R HN 0.351 nan 8.270 nan 0.000 0.480 471 A N 1.686 124.497 122.820 -0.014 0.000 1.902 471 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 471 A C 2.176 179.762 177.584 0.003 0.000 1.181 471 A CA 1.428 53.463 52.037 -0.003 0.000 0.623 471 A CB -0.641 18.357 19.000 -0.003 0.000 0.818 471 A HN 0.404 nan 8.150 nan 0.000 0.443 472 R N -0.757 119.737 120.500 -0.009 0.000 2.083 472 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 472 R C 1.786 178.090 176.300 0.007 0.000 1.137 472 R CA 1.789 57.886 56.100 -0.005 0.000 0.951 472 R CB -0.446 29.841 30.300 -0.022 0.000 0.851 472 R HN 0.360 nan 8.270 nan 0.000 0.434 473 L N 1.229 122.438 121.223 -0.023 0.000 2.131 473 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 473 L C 2.272 179.222 176.870 0.133 0.000 1.092 473 L CA 1.439 56.284 54.840 0.008 0.000 0.759 473 L CB -0.583 41.366 42.059 -0.183 0.000 0.903 473 L HN 0.287 nan 8.230 nan 0.000 0.435 474 I N -1.359 119.262 120.570 0.085 0.000 2.252 474 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 474 I C 2.453 178.637 176.117 0.113 0.000 1.102 474 I CA 0.741 62.096 61.300 0.090 0.000 1.385 474 I CB -0.339 37.684 38.000 0.039 0.000 1.064 474 I HN 0.307 nan 8.210 nan 0.000 0.414 475 Q N 0.992 120.841 119.800 0.081 0.000 2.050 475 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 475 Q C 2.046 178.105 176.000 0.098 0.000 0.980 475 Q CA 1.533 57.382 55.803 0.077 0.000 0.840 475 Q CB -0.368 28.399 28.738 0.049 0.000 0.898 475 Q HN 0.615 nan 8.270 nan 0.000 0.424 476 E N -0.124 120.141 120.200 0.108 0.000 2.023 476 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 476 E C 1.966 178.650 176.600 0.141 0.000 1.003 476 E CA 1.229 57.696 56.400 0.112 0.000 0.809 476 E CB -0.492 29.282 29.700 0.123 0.000 0.755 476 E HN 0.338 nan 8.360 nan 0.000 0.449 477 Y N 2.151 122.500 120.300 0.082 0.000 2.256 477 Y HA -0.211 4.338 4.550 -0.000 0.000 0.288 477 Y C 1.969 177.910 175.900 0.069 0.000 1.155 477 Y CA 1.826 59.971 58.100 0.075 0.000 1.203 477 Y CB 0.043 38.548 38.460 0.075 0.000 0.980 477 Y HN 0.057 nan 8.280 nan 0.000 0.530 478 E N -0.414 119.930 120.200 0.238 0.000 2.072 478 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 478 E C 1.663 178.312 176.600 0.082 0.000 0.985 478 E CA 1.356 57.854 56.400 0.163 0.000 0.801 478 E CB -0.122 29.661 29.700 0.138 0.000 0.750 478 E HN 0.468 nan 8.360 nan 0.000 0.452 479 D N 0.235 120.672 120.400 0.062 0.000 2.144 479 D HA -0.075 4.565 4.640 -0.000 0.000 0.200 479 D C 1.764 178.068 176.300 0.006 0.000 0.978 479 D CA 1.243 55.266 54.000 0.038 0.000 0.833 479 D CB -0.159 40.662 40.800 0.035 0.000 0.961 479 D HN 0.178 nan 8.370 nan 0.000 0.470 480 A N 0.111 122.906 122.820 -0.041 0.000 1.835 480 A HA 0.042 4.362 4.320 -0.000 0.000 0.213 480 A C 1.962 179.475 177.584 -0.119 0.000 1.210 480 A CA 0.765 52.748 52.037 -0.090 0.000 0.605 480 A CB -0.436 18.482 19.000 -0.136 0.000 0.860 480 A HN 0.213 nan 8.150 nan 0.000 0.447 481 L N -0.917 120.159 121.223 -0.246 0.000 2.808 481 L HA 0.283 4.623 4.340 -0.000 0.000 0.246 481 L C -0.079 176.754 176.870 -0.062 0.000 1.153 481 L CA -0.183 54.524 54.840 -0.222 0.000 0.956 481 L CB 0.459 42.245 42.059 -0.455 0.000 1.270 481 L HN 0.157 nan 8.230 nan 0.000 0.528 482 L N 2.144 123.383 121.223 0.026 0.000 2.796 482 L HA 0.262 4.602 4.340 -0.000 0.000 0.235 482 L C 0.125 177.047 176.870 0.086 0.000 1.344 482 L CA 0.289 55.216 54.840 0.145 0.000 1.245 482 L CB -0.900 41.284 42.059 0.210 0.000 1.556 482 L HN 0.375 nan 8.230 nan 0.000 0.423 483 N N -2.223 116.484 118.700 0.011 0.000 3.106 483 N HA 0.499 5.239 4.740 -0.000 0.000 0.253 483 N C -2.828 172.566 175.510 -0.193 0.000 1.506 483 N CA -1.310 51.709 53.050 -0.051 0.000 0.876 483 N CB 1.851 40.415 38.487 0.129 0.000 1.452 483 N HN -0.296 nan 8.380 nan 0.000 0.542 484 P HA 0.204 nan 4.420 nan 0.000 0.266 484 P C -0.415 176.656 177.300 -0.382 0.000 1.561 484 P CA 0.123 62.974 63.100 -0.414 0.000 1.089 484 P CB -0.303 31.142 31.700 -0.425 0.000 1.534 485 Y N -0.497 119.761 120.300 -0.071 0.000 2.479 485 Y HA 0.050 4.600 4.550 -0.000 0.000 0.283 485 Y C 2.487 178.336 175.900 -0.085 0.000 1.109 485 Y CA 1.022 59.082 58.100 -0.067 0.000 1.239 485 Y CB -1.041 37.388 38.460 -0.053 0.000 1.108 485 Y HN -0.090 nan 8.280 nan 0.000 0.548 486 T N 0.089 114.668 114.554 0.041 0.000 2.737 486 T HA -0.149 4.201 4.350 -0.000 0.000 0.265 486 T C 2.299 176.917 174.700 -0.135 0.000 1.038 486 T CA 1.386 63.455 62.100 -0.051 0.000 1.144 486 T CB -0.586 68.249 68.868 -0.056 0.000 0.866 486 T HN 0.361 nan 8.240 nan 0.000 0.434 487 A N 1.662 124.401 122.820 -0.134 0.000 1.908 487 A HA 0.056 4.376 4.320 -0.000 0.000 0.218 487 A C 2.635 180.124 177.584 -0.158 0.000 1.181 487 A CA 2.030 53.979 52.037 -0.146 0.000 0.627 487 A CB -1.215 17.734 19.000 -0.085 0.000 0.818 487 A HN 0.511 nan 8.150 nan 0.000 0.445 488 A N -0.173 122.586 122.820 -0.101 0.000 1.851 488 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 488 A C 1.872 179.410 177.584 -0.077 0.000 1.195 488 A CA 1.814 53.816 52.037 -0.059 0.000 0.622 488 A CB -0.812 18.192 19.000 0.007 0.000 0.831 488 A HN 0.627 nan 8.150 nan 0.000 0.444 489 E N -0.797 119.360 120.200 -0.072 0.000 2.169 489 E HA -0.244 4.106 4.350 -0.000 0.000 0.202 489 E C 2.010 178.526 176.600 -0.140 0.000 1.016 489 E CA 1.552 57.903 56.400 -0.082 0.000 0.817 489 E CB -0.170 29.486 29.700 -0.073 0.000 0.736 489 E HN 0.520 nan 8.360 nan 0.000 0.462 490 R N -0.851 119.485 120.500 -0.274 0.000 2.334 490 R HA 0.097 4.437 4.340 -0.000 0.000 0.216 490 R C 0.729 176.842 176.300 -0.311 0.000 0.905 490 R CA 0.418 56.279 56.100 -0.399 0.000 1.064 490 R CB 0.736 30.540 30.300 -0.826 0.000 1.046 490 R HN 0.212 nan 8.270 nan 0.000 0.508 491 G N 0.849 109.548 108.800 -0.168 0.000 2.273 491 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.280 491 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.280 491 G C 0.328 175.316 174.900 0.148 0.000 1.047 491 G CA 0.261 45.352 45.100 -0.015 0.000 0.869 491 G HN 0.523 nan 8.290 nan 0.000 0.502 492 Y N -1.154 119.136 120.300 -0.016 0.000 2.365 492 Y HA 0.179 4.729 4.550 -0.000 0.000 0.293 492 Y C 1.770 177.624 175.900 -0.077 0.000 1.119 492 Y CA 0.615 58.686 58.100 -0.049 0.000 1.203 492 Y CB 0.518 38.998 38.460 0.033 0.000 1.026 492 Y HN 0.512 nan 8.280 nan 0.000 0.549 493 V N -2.406 117.560 119.914 0.087 0.000 2.409 493 V HA 0.237 4.357 4.120 -0.000 0.000 0.291 493 V C 0.198 176.283 176.094 -0.016 0.000 1.020 493 V CA -1.201 61.100 62.300 0.002 0.000 0.848 493 V CB 1.620 33.422 31.823 -0.036 0.000 0.990 493 V HN 0.135 nan 8.190 nan 0.000 0.430 494 D N 3.620 124.006 120.400 -0.024 0.000 2.177 494 D HA -0.145 4.495 4.640 -0.000 0.000 0.189 494 D C 0.873 177.160 176.300 -0.021 0.000 1.002 494 D CA 2.754 56.743 54.000 -0.017 0.000 0.845 494 D CB 0.288 41.077 40.800 -0.019 0.000 0.960 494 D HN 0.948 nan 8.370 nan 0.000 0.447 495 A N -0.222 122.568 122.820 -0.050 0.000 2.469 495 A HA 0.535 4.855 4.320 -0.000 0.000 0.299 495 A C -0.832 176.715 177.584 -0.062 0.000 1.098 495 A CA -0.613 51.394 52.037 -0.050 0.000 0.737 495 A CB 2.160 21.108 19.000 -0.087 0.000 1.312 495 A HN -0.055 nan 8.150 nan 0.000 0.414 496 V N 2.349 122.245 119.914 -0.030 0.000 2.394 496 V HA 0.500 4.620 4.120 -0.000 0.000 0.282 496 V C 0.020 176.116 176.094 0.005 0.000 1.031 496 V CA -0.136 62.148 62.300 -0.026 0.000 0.881 496 V CB 0.574 32.377 31.823 -0.033 0.000 0.982 496 V HN 0.771 nan 8.190 nan 0.000 0.451 497 I N 1.604 122.186 120.570 0.021 0.000 2.797 497 I HA 0.641 4.811 4.170 -0.000 0.000 0.307 497 I C -0.310 175.785 176.117 -0.037 0.000 1.033 497 I CA -0.996 60.306 61.300 0.004 0.000 1.071 497 I CB 2.080 40.049 38.000 -0.052 0.000 1.255 497 I HN 0.337 nan 8.210 nan 0.000 0.445 498 M N 4.127 123.680 119.600 -0.078 0.000 2.143 498 M HA 0.262 4.742 4.480 -0.000 0.000 0.348 498 M C -1.760 174.301 176.300 -0.398 0.000 1.375 498 M CA -1.577 53.609 55.300 -0.190 0.000 1.124 498 M CB 0.764 33.300 32.600 -0.106 0.000 1.669 498 M HN 0.426 nan 8.290 nan 0.000 0.469 499 P HA -0.193 nan 4.420 nan 0.000 0.217 499 P C 1.324 178.166 177.300 -0.765 0.000 1.148 499 P CA 1.595 63.719 63.100 -1.626 0.000 0.834 499 P CB -0.043 30.515 31.700 -1.903 0.000 0.783 500 S N -1.478 113.971 115.700 -0.418 0.000 2.419 500 S HA -0.192 4.278 4.470 -0.000 0.000 0.235 500 S C 1.508 176.068 174.600 -0.066 0.000 1.019 500 S CA 1.529 59.623 58.200 -0.178 0.000 0.982 500 S CB -1.091 62.040 63.200 -0.115 0.000 0.789 500 S HN 0.074 nan 8.310 nan 0.000 0.490 501 D N 0.825 121.193 120.400 -0.054 0.000 2.538 501 D HA 0.270 4.910 4.640 -0.000 0.000 0.234 501 D C 0.636 177.076 176.300 0.233 0.000 1.191 501 D CA 0.133 54.189 54.000 0.093 0.000 0.828 501 D CB -0.248 40.634 40.800 0.137 0.000 0.981 501 D HN 0.354 nan 8.370 nan 0.000 0.490 502 T N -1.202 113.468 114.554 0.193 0.000 3.057 502 T HA 0.024 4.374 4.350 -0.000 0.000 0.254 502 T C 1.779 176.653 174.700 0.291 0.000 1.094 502 T CA 0.143 62.446 62.100 0.338 0.000 1.088 502 T CB 0.593 69.794 68.868 0.555 0.000 0.934 502 T HN 0.170 nan 8.240 nan 0.000 0.497 503 R N 0.835 121.464 120.500 0.216 0.000 2.189 503 R HA 0.229 4.569 4.340 -0.000 0.000 0.203 503 R C 2.392 178.766 176.300 0.124 0.000 1.012 503 R CA 0.306 56.512 56.100 0.178 0.000 1.015 503 R CB 0.080 30.473 30.300 0.155 0.000 0.938 503 R HN 0.144 nan 8.270 nan 0.000 0.472 504 R N -0.374 120.183 120.500 0.095 0.000 2.062 504 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 504 R C 1.947 178.249 176.300 0.003 0.000 1.136 504 R CA 1.607 57.715 56.100 0.014 0.000 0.948 504 R CB -0.303 29.961 30.300 -0.060 0.000 0.845 504 R HN 0.366 nan 8.270 nan 0.000 0.430 505 H N 0.123 119.230 119.070 0.061 0.000 2.387 505 H HA -0.120 4.436 4.556 -0.000 0.000 0.299 505 H C 2.083 177.439 175.328 0.046 0.000 1.099 505 H CA 1.520 57.599 56.048 0.052 0.000 1.315 505 H CB 0.149 29.948 29.762 0.062 0.000 1.380 505 H HN 0.212 nan 8.280 nan 0.000 0.513 506 I N 0.327 121.005 120.570 0.181 0.000 2.315 506 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 506 I C 2.609 178.777 176.117 0.084 0.000 1.117 506 I CA 0.630 62.000 61.300 0.117 0.000 1.404 506 I CB -1.041 37.037 38.000 0.130 0.000 1.071 506 I HN 0.008 nan 8.210 nan 0.000 0.419 507 V N 1.320 121.279 119.914 0.075 0.000 2.229 507 V HA -0.221 3.899 4.120 -0.000 0.000 0.243 507 V C 2.666 178.779 176.094 0.032 0.000 1.042 507 V CA 1.592 63.922 62.300 0.049 0.000 1.000 507 V CB -0.684 31.162 31.823 0.039 0.000 0.637 507 V HN 0.337 nan 8.190 nan 0.000 0.446 508 R N 0.413 120.924 120.500 0.017 0.000 2.105 508 R HA -0.144 4.196 4.340 -0.000 0.000 0.239 508 R C 2.391 178.705 176.300 0.023 0.000 1.135 508 R CA 1.597 57.699 56.100 0.005 0.000 0.967 508 R CB -0.971 29.311 30.300 -0.032 0.000 0.861 508 R HN 0.609 nan 8.270 nan 0.000 0.442 509 G N 1.149 109.976 108.800 0.045 0.000 2.408 509 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 509 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 509 G C 1.521 176.441 174.900 0.034 0.000 1.150 509 G CA 0.170 45.299 45.100 0.048 0.000 0.776 509 G HN 0.122 nan 8.290 nan 0.000 0.542 510 L N -0.409 120.835 121.223 0.035 0.000 2.109 510 L HA 0.034 4.374 4.340 -0.000 0.000 0.207 510 L C 3.142 180.027 176.870 0.024 0.000 1.086 510 L CA 0.549 55.408 54.840 0.031 0.000 0.760 510 L CB -0.310 41.772 42.059 0.038 0.000 0.910 510 L HN 0.137 nan 8.230 nan 0.000 0.437 511 R N -0.295 120.218 120.500 0.022 0.000 2.115 511 R HA -0.223 4.117 4.340 -0.000 0.000 0.239 511 R C 2.383 178.692 176.300 0.014 0.000 1.133 511 R CA 1.684 57.794 56.100 0.016 0.000 0.935 511 R CB -0.395 29.913 30.300 0.013 0.000 0.853 511 R HN 0.433 nan 8.270 nan 0.000 0.433 512 Q N 0.566 120.375 119.800 0.015 0.000 2.030 512 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 512 Q C 2.339 178.347 176.000 0.014 0.000 0.986 512 Q CA 1.437 57.249 55.803 0.014 0.000 0.843 512 Q CB -0.366 28.381 28.738 0.016 0.000 0.904 512 Q HN 0.422 nan 8.270 nan 0.000 0.420 513 L N 1.138 122.370 121.223 0.016 0.000 2.265 513 L HA -0.154 4.186 4.340 -0.000 0.000 0.215 513 L C 2.635 179.514 176.870 0.015 0.000 1.117 513 L CA 0.952 55.801 54.840 0.015 0.000 0.782 513 L CB -0.515 41.554 42.059 0.017 0.000 0.914 513 L HN 0.286 nan 8.230 nan 0.000 0.441 514 R N 0.274 120.784 120.500 0.016 0.000 2.105 514 R HA -0.145 4.195 4.340 -0.000 0.000 0.239 514 R C 1.623 177.931 176.300 0.014 0.000 1.135 514 R CA 1.767 57.877 56.100 0.016 0.000 0.967 514 R CB -1.347 28.962 30.300 0.015 0.000 0.861 514 R HN 0.353 nan 8.270 nan 0.000 0.442 515 T N -0.925 113.635 114.554 0.011 0.000 3.393 515 T HA 0.135 4.485 4.350 -0.000 0.000 0.248 515 T C 0.239 174.943 174.700 0.007 0.000 0.992 515 T CA -0.581 61.524 62.100 0.009 0.000 0.929 515 T CB -0.012 68.860 68.868 0.007 0.000 1.065 515 T HN 0.236 nan 8.240 nan 0.000 0.597 516 K N 1.929 122.334 120.400 0.008 0.000 2.379 516 K HA 0.153 4.473 4.320 -0.000 0.000 0.284 516 K C 0.031 176.633 176.600 0.004 0.000 1.044 516 K CA -0.541 55.749 56.287 0.006 0.000 0.974 516 K CB 0.472 32.976 32.500 0.006 0.000 0.962 516 K HN 0.356 nan 8.250 nan 0.000 0.474 517 R N 3.920 124.420 120.500 0.001 0.000 2.310 517 R HA 0.193 4.533 4.340 -0.000 0.000 0.324 517 R C -1.383 174.914 176.300 -0.005 0.000 0.955 517 R CA -0.389 55.710 56.100 -0.002 0.000 0.830 517 R CB 1.010 31.309 30.300 -0.002 0.000 1.154 517 R HN 0.801 nan 8.270 nan 0.000 0.458 518 E N 2.952 123.148 120.200 -0.007 0.000 2.347 518 E HA 0.243 4.593 4.350 -0.000 0.000 0.285 518 E C -1.863 174.728 176.600 -0.015 0.000 0.925 518 E CA -0.539 55.854 56.400 -0.011 0.000 0.779 518 E CB 1.685 31.378 29.700 -0.012 0.000 1.233 518 E HN 0.756 nan 8.360 nan 0.000 0.414 519 S N 3.377 119.066 115.700 -0.018 0.000 2.627 519 S HA 0.698 5.168 4.470 -0.000 0.000 0.283 519 S C -0.758 173.825 174.600 -0.028 0.000 1.127 519 S CA -0.930 57.257 58.200 -0.022 0.000 0.863 519 S CB 1.173 64.363 63.200 -0.018 0.000 1.121 519 S HN 0.426 nan 8.310 nan 0.000 0.479 520 L N 1.037 122.241 121.223 -0.032 0.000 2.331 520 L HA 0.591 4.931 4.340 -0.000 0.000 0.275 520 L C -2.336 174.515 176.870 -0.031 0.000 1.022 520 L CA -2.316 52.500 54.840 -0.040 0.000 0.812 520 L CB 0.952 42.979 42.059 -0.053 0.000 1.257 520 L HN 0.493 nan 8.230 nan 0.000 0.435 521 P HA 0.109 nan 4.420 nan 0.000 0.268 521 P C -2.473 174.812 177.300 -0.024 0.000 1.208 521 P CA -0.722 62.362 63.100 -0.027 0.000 0.777 521 P CB -0.354 31.329 31.700 -0.028 0.000 0.875 522 P HA 0.053 nan 4.420 nan 0.000 0.261 522 P C -0.446 176.839 177.300 -0.025 0.000 1.183 522 P CA 0.586 63.674 63.100 -0.020 0.000 0.761 522 P CB 0.134 31.823 31.700 -0.018 0.000 0.785 523 K N 1.096 121.481 120.400 -0.025 0.000 2.587 523 K HA 0.305 4.625 4.320 -0.000 0.000 0.276 523 K C 0.012 176.593 176.600 -0.032 0.000 0.956 523 K CA -0.979 55.283 56.287 -0.042 0.000 0.857 523 K CB 1.315 33.784 32.500 -0.051 0.000 1.431 523 K HN -0.081 nan 8.250 nan 0.000 0.420 524 K N 0.218 120.585 120.400 -0.056 0.000 2.057 524 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 524 K C -0.022 176.640 176.600 0.103 0.000 1.049 524 K CA 2.174 58.467 56.287 0.009 0.000 0.931 524 K CB -0.271 32.243 32.500 0.022 0.000 0.714 524 K HN 0.843 nan 8.250 nan 0.000 0.440 525 H N -4.739 114.337 119.070 0.009 0.000 2.969 525 H HA 0.377 4.933 4.556 -0.000 0.000 0.304 525 H C -0.169 175.191 175.328 0.053 0.000 1.400 525 H CA -0.678 55.384 56.048 0.022 0.000 1.182 525 H CB 0.384 30.151 29.762 0.008 0.000 1.865 525 H HN 0.029 nan 8.280 nan 0.000 0.512 526 G N -0.658 108.266 108.800 0.207 0.000 2.525 526 G HA2 0.129 4.089 3.960 -0.000 0.000 0.276 526 G HA3 0.129 4.089 3.960 -0.000 0.000 0.276 526 G C -0.247 174.787 174.900 0.223 0.000 1.388 526 G CA -0.331 44.913 45.100 0.240 0.000 1.050 526 G HN 0.905 nan 8.290 nan 0.000 0.520 527 N N -0.987 117.811 118.700 0.164 0.000 2.536 527 N HA 0.105 4.845 4.740 -0.000 0.000 0.286 527 N C 0.228 175.648 175.510 -0.151 0.000 1.577 527 N CA -0.417 52.660 53.050 0.045 0.000 0.883 527 N CB 0.367 38.884 38.487 0.050 0.000 1.390 527 N HN 0.433 nan 8.380 nan 0.000 0.491 528 I N 1.719 121.981 120.570 -0.514 0.000 2.872 528 I HA 0.082 4.252 4.170 -0.000 0.000 0.291 528 I C -1.914 173.943 176.117 -0.432 0.000 1.216 528 I CA -0.938 59.747 61.300 -1.026 0.000 1.424 528 I CB 0.721 37.796 38.000 -1.541 0.000 1.351 528 I HN 0.122 nan 8.210 nan 0.000 0.592 529 P HA 0.066 nan 4.420 nan 0.000 0.261 529 P C -0.824 176.393 177.300 -0.138 0.000 1.173 529 P CA 0.501 63.510 63.100 -0.152 0.000 0.760 529 P CB 0.409 32.055 31.700 -0.090 0.000 0.783 530 L N 0.000 121.167 121.223 -0.093 0.000 2.949 530 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 530 L CA 0.000 54.795 54.840 -0.074 0.000 0.813 530 L CB 0.000 42.014 42.059 -0.076 0.000 0.961 530 L HN 0.000 nan 8.230 nan 0.000 0.502