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 2g9z_1_B DATA FIRST_RESID 6 DATA SEQUENCE ELIEQVIEQP DSLIISPPXX XXXXSYNHIQ PFVYLXXXXX XXXXHNVLLI DATA SEQUENCE LNQKITIDLI SLWKKCEIIV CADGGANSLY EYFNXXXXXX XXXXLQRSDY DATA SEQUENCE IPDYIVGDFD SISPDVKTYY ESHGSKIIRQ SSQYYNDFTK SIHCIQLHYQ DATA SEQUENCE LNHTKENWFE SIDEVDGLAK LWNGLNNSSD VVVDIDITIY VLNAIGGRFD DATA SEQUENCE QTVQSINQLY IMNEDYPKVT VFFITTNDII FLLKKGVNYI SYKNRLMFHK DATA SEQUENCE DNGSSPTPTC GLLPLSNKTP IILNSYGLKY DMRNWKTEML GQVSSSNRIS DATA SEQUENCE GETGFIVECS DDIVMNIEID 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.610 176.600 0.017 0.000 1.382 6 E CA 0.000 56.406 56.400 0.010 0.000 0.976 6 E CB 0.000 29.702 29.700 0.004 0.000 0.812 7 L N 2.916 124.153 121.223 0.024 0.000 2.529 7 L HA 0.200 4.540 4.340 -0.000 0.000 0.287 7 L C 0.679 177.571 176.870 0.037 0.000 1.241 7 L CA 0.090 54.950 54.840 0.033 0.000 0.857 7 L CB -0.110 41.975 42.059 0.043 0.000 1.113 7 L HN 0.506 nan 8.230 nan 0.000 0.504 8 I N 1.964 122.561 120.570 0.044 0.000 2.588 8 I HA -0.006 4.163 4.170 -0.000 0.000 0.283 8 I C 0.586 176.751 176.117 0.081 0.000 1.119 8 I CA 0.134 61.466 61.300 0.053 0.000 1.419 8 I CB 0.250 38.282 38.000 0.053 0.000 1.394 8 I HN 0.587 nan 8.210 nan 0.000 0.562 9 E N 7.187 127.444 120.200 0.096 0.000 2.070 9 E HA 0.180 4.530 4.350 -0.000 0.000 0.282 9 E C -0.839 175.913 176.600 0.252 0.000 1.104 9 E CA -0.282 56.226 56.400 0.181 0.000 0.876 9 E CB 0.627 30.388 29.700 0.101 0.000 1.055 9 E HN 0.505 nan 8.360 nan 0.000 0.401 10 Q N 1.342 121.275 119.800 0.222 0.000 2.306 10 Q HA 0.566 4.906 4.340 -0.000 0.000 0.265 10 Q C -0.858 175.172 176.000 0.050 0.000 1.022 10 Q CA -0.906 54.977 55.803 0.133 0.000 0.853 10 Q CB 2.610 31.390 28.738 0.070 0.000 1.327 10 Q HN 0.239 nan 8.270 nan 0.000 0.449 11 V N 3.099 123.011 119.914 -0.005 0.000 2.483 11 V HA 0.439 4.559 4.120 -0.000 0.000 0.297 11 V C -0.742 175.329 176.094 -0.038 0.000 1.027 11 V CA -0.533 61.702 62.300 -0.109 0.000 0.855 11 V CB 1.501 33.239 31.823 -0.141 0.000 0.995 11 V HN 0.639 nan 8.190 nan 0.000 0.424 12 I N 3.844 124.378 120.570 -0.060 0.000 2.330 12 I HA 0.391 4.561 4.170 -0.000 0.000 0.289 12 I C 0.296 176.366 176.117 -0.079 0.000 1.001 12 I CA -0.434 60.838 61.300 -0.047 0.000 1.193 12 I CB 1.548 39.519 38.000 -0.048 0.000 1.345 12 I HN 0.592 nan 8.210 nan 0.000 0.461 13 E N 6.822 126.978 120.200 -0.074 0.000 2.166 13 E HA 0.134 4.484 4.350 -0.000 0.000 0.279 13 E C -0.506 175.994 176.600 -0.166 0.000 1.095 13 E CA -0.385 55.908 56.400 -0.178 0.000 0.888 13 E CB 0.767 30.405 29.700 -0.103 0.000 1.041 13 E HN 0.418 nan 8.360 nan 0.000 0.414 14 Q N 3.288 122.956 119.800 -0.220 0.000 2.169 14 Q HA 0.405 4.744 4.340 -0.000 0.000 0.234 14 Q C -2.048 173.868 176.000 -0.140 0.000 0.980 14 Q CA -1.895 53.825 55.803 -0.140 0.000 0.941 14 Q CB 0.544 29.214 28.738 -0.113 0.000 1.199 14 Q HN 0.408 nan 8.270 nan 0.000 0.496 15 P HA 0.082 nan 4.420 nan 0.000 0.274 15 P C -0.214 177.041 177.300 -0.075 0.000 1.256 15 P CA -0.223 62.836 63.100 -0.069 0.000 0.795 15 P CB 0.712 32.391 31.700 -0.036 0.000 1.038 16 D N -1.027 119.336 120.400 -0.062 0.000 2.309 16 D HA -0.023 4.616 4.640 -0.000 0.000 0.212 16 D C 0.178 176.462 176.300 -0.028 0.000 0.968 16 D CA 1.428 55.395 54.000 -0.055 0.000 0.882 16 D CB 0.063 40.839 40.800 -0.040 0.000 0.918 16 D HN 0.223 nan 8.370 nan 0.000 0.503 17 S N -0.409 115.284 115.700 -0.012 0.000 2.547 17 S HA 0.653 5.123 4.470 -0.000 0.000 0.281 17 S C -0.378 174.237 174.600 0.025 0.000 1.118 17 S CA -0.719 57.490 58.200 0.016 0.000 0.947 17 S CB 2.276 65.486 63.200 0.017 0.000 1.053 17 S HN -0.017 nan 8.310 nan 0.000 0.482 18 L N 2.147 123.401 121.223 0.053 0.000 2.469 18 L HA 0.635 4.974 4.340 -0.000 0.000 0.256 18 L C -1.681 175.239 176.870 0.083 0.000 1.006 18 L CA -0.907 53.968 54.840 0.060 0.000 0.832 18 L CB 1.756 43.855 42.059 0.067 0.000 1.421 18 L HN 0.453 nan 8.230 nan 0.000 0.410 19 I N 2.608 123.221 120.570 0.070 0.000 2.389 19 I HA 0.404 4.574 4.170 -0.000 0.000 0.288 19 I C -0.616 175.544 176.117 0.072 0.000 0.999 19 I CA -0.212 61.131 61.300 0.072 0.000 1.129 19 I CB 1.578 39.605 38.000 0.046 0.000 1.288 19 I HN 0.191 nan 8.210 nan 0.000 0.444 20 I N 5.206 125.836 120.570 0.100 0.000 2.354 20 I HA 0.361 4.530 4.170 -0.000 0.000 0.292 20 I C 0.377 176.510 176.117 0.026 0.000 0.989 20 I CA -0.388 60.966 61.300 0.091 0.000 1.188 20 I CB 1.334 39.450 38.000 0.193 0.000 1.342 20 I HN 0.439 nan 8.210 nan 0.000 0.457 21 S N 7.609 123.268 115.700 -0.068 0.000 2.601 21 S HA 0.408 4.878 4.470 -0.000 0.000 0.271 21 S C -2.168 172.217 174.600 -0.359 0.000 1.305 21 S CA -0.822 57.284 58.200 -0.157 0.000 1.022 21 S CB 0.666 63.779 63.200 -0.145 0.000 0.940 21 S HN 0.416 nan 8.310 nan 0.000 0.525 22 P HA 0.224 nan 4.420 nan 0.000 0.269 22 P C -2.196 174.652 177.300 -0.754 0.000 1.215 22 P CA -0.844 61.627 63.100 -1.048 0.000 0.780 22 P CB -0.396 30.833 31.700 -0.786 0.000 0.898 31 Y N 0.499 120.813 120.300 0.024 0.000 2.625 31 Y HA 0.830 5.380 4.550 -0.001 0.000 0.338 31 Y C -1.057 174.888 175.900 0.074 0.000 1.123 31 Y CA -1.362 56.767 58.100 0.048 0.000 1.046 31 Y CB 0.259 38.744 38.460 0.041 0.000 1.299 31 Y HN 0.030 nan 8.280 nan 0.000 0.464 32 N N 1.042 119.875 118.700 0.222 0.000 2.434 32 N HA 0.160 4.900 4.740 -0.000 0.000 0.272 32 N C -1.605 174.078 175.510 0.288 0.000 1.040 32 N CA -0.314 52.822 53.050 0.144 0.000 0.956 32 N CB 0.467 39.033 38.487 0.131 0.000 1.108 32 N HN 0.880 nan 8.380 nan 0.000 0.481 33 H N 4.771 123.874 119.070 0.055 0.000 2.556 33 H HA 0.380 4.936 4.556 -0.000 0.000 0.310 33 H C -0.576 174.759 175.328 0.012 0.000 1.057 33 H CA -0.778 55.338 56.048 0.114 0.000 1.264 33 H CB 0.599 30.412 29.762 0.085 0.000 1.404 33 H HN 0.472 nan 8.280 nan 0.000 0.462 34 I N 4.927 125.499 120.570 0.003 0.000 2.404 34 I HA 0.160 4.329 4.170 -0.000 0.000 0.293 34 I C -0.424 175.496 176.117 -0.329 0.000 0.992 34 I CA -0.570 60.624 61.300 -0.176 0.000 1.149 34 I CB 2.027 39.946 38.000 -0.134 0.000 1.315 34 I HN 0.584 nan 8.210 nan 0.000 0.446 35 Q N 6.555 126.158 119.800 -0.328 0.000 2.907 35 Q HA 0.260 4.600 4.340 -0.000 0.000 0.262 35 Q C -1.988 173.783 176.000 -0.380 0.000 0.997 35 Q CA -1.528 54.092 55.803 -0.305 0.000 0.797 35 Q CB 1.526 30.095 28.738 -0.281 0.000 1.228 35 Q HN 0.424 nan 8.270 nan 0.000 0.466 36 P HA -0.125 nan 4.420 nan 0.000 0.220 36 P C 0.068 176.713 177.300 -1.092 0.000 1.148 36 P CA 1.173 63.487 63.100 -1.309 0.000 0.803 36 P CB 0.210 30.925 31.700 -1.640 0.000 0.782 37 F N -2.360 117.437 119.950 -0.255 0.000 2.641 37 F HA 0.113 4.640 4.527 -0.001 0.000 0.302 37 F C 1.853 177.544 175.800 -0.182 0.000 1.098 37 F CA -0.183 57.693 58.000 -0.207 0.000 1.318 37 F CB -0.994 37.890 39.000 -0.193 0.000 1.035 37 F HN -0.314 nan 8.300 nan 0.000 0.551 38 V N 0.151 120.067 119.914 0.003 0.000 2.469 38 V HA -0.342 3.777 4.120 -0.000 0.000 0.251 38 V C 2.351 178.452 176.094 0.012 0.000 1.064 38 V CA 2.145 64.458 62.300 0.022 0.000 1.066 38 V CB -1.069 30.772 31.823 0.029 0.000 0.667 38 V HN 0.613 nan 8.190 nan 0.000 0.461 39 Y N -0.741 119.496 120.300 -0.105 0.000 2.571 39 Y HA 0.224 4.773 4.550 -0.000 0.000 0.294 39 Y C 0.943 176.786 175.900 -0.095 0.000 1.141 39 Y CA 0.107 58.102 58.100 -0.175 0.000 1.308 39 Y CB -0.644 37.531 38.460 -0.474 0.000 1.002 39 Y HN 0.171 nan 8.280 nan 0.000 0.551 51 N N 1.477 120.245 118.700 0.114 0.000 2.444 51 N HA 0.419 5.158 4.740 -0.000 0.000 0.271 51 N C -0.339 175.237 175.510 0.109 0.000 1.069 51 N CA -0.391 52.730 53.050 0.118 0.000 0.965 51 N CB 2.057 40.661 38.487 0.195 0.000 1.092 51 N HN 0.007 nan 8.380 nan 0.000 0.476 52 V N 2.851 122.798 119.914 0.055 0.000 2.604 52 V HA 0.381 4.501 4.120 -0.000 0.000 0.305 52 V C -0.641 175.453 176.094 0.000 0.000 1.043 52 V CA -0.817 61.488 62.300 0.009 0.000 0.888 52 V CB 1.846 33.661 31.823 -0.013 0.000 0.995 52 V HN 0.429 nan 8.190 nan 0.000 0.429 53 L N 5.605 126.784 121.223 -0.073 0.000 2.305 53 L HA 0.701 5.040 4.340 -0.000 0.000 0.284 53 L C -0.991 175.815 176.870 -0.106 0.000 1.013 53 L CA -0.309 54.488 54.840 -0.071 0.000 0.819 53 L CB 1.354 43.312 42.059 -0.169 0.000 1.227 53 L HN 0.627 nan 8.230 nan 0.000 0.417 54 L N 6.888 128.076 121.223 -0.059 0.000 2.305 54 L HA 0.609 4.949 4.340 -0.000 0.000 0.284 54 L C -1.011 175.865 176.870 0.010 0.000 1.013 54 L CA -0.118 54.688 54.840 -0.057 0.000 0.819 54 L CB 1.134 43.140 42.059 -0.089 0.000 1.227 54 L HN 0.546 nan 8.230 nan 0.000 0.417 55 I N 6.484 127.061 120.570 0.012 0.000 2.328 55 I HA 0.318 4.488 4.170 -0.000 0.000 0.287 55 I C -0.127 176.039 176.117 0.081 0.000 1.012 55 I CA -0.439 60.892 61.300 0.052 0.000 1.195 55 I CB 0.990 39.018 38.000 0.047 0.000 1.350 55 I HN 0.493 nan 8.210 nan 0.000 0.464 56 L N 4.324 125.615 121.223 0.114 0.000 2.472 56 L HA 0.350 4.690 4.340 -0.000 0.000 0.256 56 L C 0.643 177.577 176.870 0.107 0.000 1.111 56 L CA -0.797 54.120 54.840 0.128 0.000 0.800 56 L CB 0.505 42.663 42.059 0.166 0.000 1.286 56 L HN 0.516 nan 8.230 nan 0.000 0.479 57 N N 1.344 120.107 118.700 0.104 0.000 2.739 57 N HA 0.136 4.875 4.740 -0.000 0.000 0.266 57 N C -1.179 174.380 175.510 0.083 0.000 1.168 57 N CA 0.276 53.383 53.050 0.094 0.000 1.055 57 N CB -0.035 38.508 38.487 0.092 0.000 1.393 57 N HN 0.463 nan 8.380 nan 0.000 0.514 58 Q N 0.558 120.408 119.800 0.083 0.000 2.472 58 Q HA 0.173 4.513 4.340 -0.000 0.000 0.281 58 Q C -1.102 174.947 176.000 0.080 0.000 0.997 58 Q CA -0.910 54.938 55.803 0.075 0.000 0.828 58 Q CB 2.016 30.796 28.738 0.069 0.000 1.443 58 Q HN 0.309 nan 8.270 nan 0.000 0.390 59 K N 2.018 122.464 120.400 0.077 0.000 2.472 59 K HA 0.095 4.415 4.320 -0.000 0.000 0.280 59 K C -0.597 176.057 176.600 0.089 0.000 1.028 59 K CA 0.210 56.548 56.287 0.085 0.000 1.045 59 K CB 0.281 32.823 32.500 0.070 0.000 0.902 59 K HN 0.436 nan 8.250 nan 0.000 0.478 60 I N 4.897 125.535 120.570 0.112 0.000 2.379 60 I HA -0.011 4.159 4.170 -0.000 0.000 0.290 60 I C 1.264 177.475 176.117 0.156 0.000 1.063 60 I CA -0.035 61.324 61.300 0.097 0.000 1.351 60 I CB 1.053 39.053 38.000 0.001 0.000 1.410 60 I HN 0.773 nan 8.210 nan 0.000 0.505 61 T N 3.450 118.070 114.554 0.110 0.000 3.084 61 T HA 0.335 4.685 4.350 -0.000 0.000 0.270 61 T C 0.329 175.094 174.700 0.107 0.000 1.008 61 T CA -0.381 61.785 62.100 0.109 0.000 0.900 61 T CB -0.300 68.614 68.868 0.077 0.000 1.084 61 T HN 0.491 nan 8.240 nan 0.000 0.538 62 I N -2.151 118.477 120.570 0.096 0.000 3.204 62 I HA 0.649 4.819 4.170 -0.000 0.000 0.313 62 I C -0.372 175.796 176.117 0.085 0.000 1.082 62 I CA -1.102 60.249 61.300 0.085 0.000 1.033 62 I CB 0.948 38.992 38.000 0.074 0.000 1.304 62 I HN -0.253 nan 8.210 nan 0.000 0.536 63 D N 2.349 122.794 120.400 0.075 0.000 2.498 63 D HA 0.052 4.692 4.640 -0.000 0.000 0.229 63 D C 0.753 177.054 176.300 0.002 0.000 1.188 63 D CA -0.068 53.972 54.000 0.066 0.000 1.028 63 D CB 0.368 41.201 40.800 0.056 0.000 1.087 63 D HN 0.645 nan 8.370 nan 0.000 0.510 64 L N 4.780 125.926 121.223 -0.128 0.000 1.990 64 L HA -0.225 4.114 4.340 -0.000 0.000 0.213 64 L C 1.951 178.746 176.870 -0.126 0.000 1.072 64 L CA 1.623 56.292 54.840 -0.286 0.000 0.755 64 L CB -0.351 41.150 42.059 -0.930 0.000 0.889 64 L HN 0.370 nan 8.230 nan 0.000 0.432 65 I N -0.817 119.650 120.570 -0.172 0.000 2.194 65 I HA -0.307 3.863 4.170 -0.000 0.000 0.246 65 I C 2.752 178.903 176.117 0.055 0.000 1.093 65 I CA 1.820 63.028 61.300 -0.153 0.000 1.355 65 I CB -1.842 36.056 38.000 -0.171 0.000 1.046 65 I HN 0.444 nan 8.210 nan 0.000 0.413 66 S N 0.654 116.385 115.700 0.053 0.000 2.368 66 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 66 S C 2.140 176.801 174.600 0.101 0.000 1.030 66 S CA 1.057 59.304 58.200 0.079 0.000 0.999 66 S CB -0.212 63.020 63.200 0.053 0.000 0.844 66 S HN 0.421 nan 8.310 nan 0.000 0.459 67 L N 0.487 121.761 121.223 0.086 0.000 2.027 67 L HA -0.054 4.286 4.340 -0.000 0.000 0.206 67 L C 2.450 179.377 176.870 0.096 0.000 1.074 67 L CA 1.566 56.425 54.840 0.033 0.000 0.745 67 L CB -0.527 41.498 42.059 -0.056 0.000 0.898 67 L HN 0.598 nan 8.230 nan 0.000 0.433 68 W N 1.596 122.877 121.300 -0.031 0.000 2.304 68 W HA -0.300 4.360 4.660 -0.001 0.000 0.315 68 W C 2.242 178.814 176.519 0.087 0.000 1.233 68 W CA 1.957 59.324 57.345 0.035 0.000 1.261 68 W CB -0.337 29.157 29.460 0.055 0.000 1.150 68 W HN 0.141 nan 8.180 nan 0.000 0.494 69 K N 0.029 120.701 120.400 0.453 0.000 2.360 69 K HA -0.165 4.154 4.320 -0.000 0.000 0.201 69 K C 1.782 178.495 176.600 0.189 0.000 1.046 69 K CA 1.267 57.754 56.287 0.334 0.000 0.940 69 K CB -0.191 32.460 32.500 0.252 0.000 0.748 69 K HN 0.149 nan 8.250 nan 0.000 0.465 70 K N -0.328 120.151 120.400 0.131 0.000 2.374 70 K HA 0.108 4.428 4.320 -0.000 0.000 0.196 70 K C -0.017 176.629 176.600 0.077 0.000 1.023 70 K CA -0.089 56.250 56.287 0.087 0.000 1.103 70 K CB 0.519 33.053 32.500 0.056 0.000 0.848 70 K HN 0.031 nan 8.250 nan 0.000 0.528 71 C N 1.023 120.349 119.300 0.044 0.000 2.341 71 C HA 0.179 4.639 4.460 -0.000 0.000 0.338 71 C C 1.823 176.808 174.990 -0.008 0.000 1.257 71 C CA -0.784 58.239 59.018 0.008 0.000 1.883 71 C CB 1.407 29.095 27.740 -0.088 0.000 2.334 71 C HN 0.519 nan 8.230 nan 0.000 0.524 72 E N 1.335 121.565 120.200 0.049 0.000 2.076 72 E HA 0.006 4.356 4.350 -0.000 0.000 0.190 72 E C 0.175 176.775 176.600 0.000 0.000 0.979 72 E CA 1.133 57.582 56.400 0.082 0.000 0.807 72 E CB 0.285 30.110 29.700 0.209 0.000 0.761 72 E HN 0.546 nan 8.360 nan 0.000 0.454 73 I N 1.226 121.763 120.570 -0.055 0.000 2.647 73 I HA 0.323 4.492 4.170 -0.000 0.000 0.295 73 I C -0.873 175.094 176.117 -0.251 0.000 1.078 73 I CA -0.894 60.303 61.300 -0.171 0.000 1.048 73 I CB 1.871 39.724 38.000 -0.247 0.000 1.239 73 I HN 0.000 nan 8.210 nan 0.000 0.421 74 I N 5.655 126.027 120.570 -0.331 0.000 2.466 74 I HA 0.472 4.641 4.170 -0.000 0.000 0.289 74 I C -0.322 175.662 176.117 -0.222 0.000 1.026 74 I CA -0.591 60.453 61.300 -0.427 0.000 1.078 74 I CB 1.973 39.410 38.000 -0.938 0.000 1.249 74 I HN 0.069 nan 8.210 nan 0.000 0.429 75 V N 4.862 124.682 119.914 -0.156 0.000 2.540 75 V HA 0.419 4.538 4.120 -0.000 0.000 0.302 75 V C -0.696 175.365 176.094 -0.056 0.000 1.035 75 V CA -0.584 61.675 62.300 -0.069 0.000 0.873 75 V CB 1.855 33.624 31.823 -0.090 0.000 0.992 75 V HN 0.793 nan 8.190 nan 0.000 0.428 76 C N 4.287 123.573 119.300 -0.023 0.000 2.295 76 C HA 0.753 5.212 4.460 -0.000 0.000 0.331 76 C C 0.867 175.884 174.990 0.045 0.000 1.280 76 C CA -0.726 58.294 59.018 0.003 0.000 1.746 76 C CB 0.581 28.306 27.740 -0.024 0.000 2.328 76 C HN 0.972 nan 8.230 nan 0.000 0.521 77 A N 3.767 126.624 122.820 0.062 0.000 2.316 77 A HA 0.471 4.790 4.320 -0.000 0.000 0.311 77 A C 0.770 178.438 177.584 0.139 0.000 1.339 77 A CA 0.212 52.306 52.037 0.094 0.000 0.960 77 A CB -0.097 18.957 19.000 0.090 0.000 1.152 77 A HN 1.081 nan 8.150 nan 0.000 0.547 78 D N 2.985 123.513 120.400 0.213 0.000 4.187 78 D HA -0.314 4.326 4.640 -0.000 0.000 0.202 78 D C 1.697 178.087 176.300 0.149 0.000 0.687 78 D CA 3.198 57.355 54.000 0.262 0.000 1.000 78 D CB -1.226 39.734 40.800 0.267 0.000 0.446 78 D HN 0.781 nan 8.370 nan 0.000 0.398 79 G N -0.144 108.737 108.800 0.135 0.000 2.499 79 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.221 79 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.221 79 G C 1.545 176.509 174.900 0.106 0.000 1.109 79 G CA 1.725 46.890 45.100 0.108 0.000 0.749 79 G HN 0.717 nan 8.290 nan 0.000 0.568 80 G N 0.959 109.822 108.800 0.105 0.000 2.485 80 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.221 80 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.221 80 G C 1.932 176.891 174.900 0.098 0.000 1.115 80 G CA 1.402 46.560 45.100 0.097 0.000 0.751 80 G HN 0.643 nan 8.290 nan 0.000 0.567 81 A N 1.296 124.167 122.820 0.085 0.000 1.898 81 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 81 A C 2.311 180.044 177.584 0.249 0.000 1.181 81 A CA 1.791 53.882 52.037 0.089 0.000 0.620 81 A CB -0.368 18.669 19.000 0.061 0.000 0.819 81 A HN 0.354 nan 8.150 nan 0.000 0.442 82 N N 0.633 119.449 118.700 0.193 0.000 2.120 82 N HA -0.107 4.632 4.740 -0.000 0.000 0.188 82 N C 1.945 177.608 175.510 0.256 0.000 1.024 82 N CA 1.663 54.837 53.050 0.207 0.000 0.852 82 N CB -0.637 37.922 38.487 0.121 0.000 1.003 82 N HN 0.441 nan 8.380 nan 0.000 0.424 83 S N 1.252 117.068 115.700 0.193 0.000 2.370 83 S HA -0.115 4.355 4.470 -0.000 0.000 0.226 83 S C 1.942 176.670 174.600 0.213 0.000 1.033 83 S CA 0.714 59.019 58.200 0.174 0.000 1.011 83 S CB -0.386 62.889 63.200 0.125 0.000 0.852 83 S HN 0.236 nan 8.310 nan 0.000 0.457 84 L N 0.566 121.933 121.223 0.241 0.000 2.027 84 L HA -0.028 4.312 4.340 -0.000 0.000 0.206 84 L C 2.021 179.184 176.870 0.488 0.000 1.074 84 L CA 1.698 56.715 54.840 0.295 0.000 0.745 84 L CB -0.939 41.293 42.059 0.287 0.000 0.898 84 L HN 0.309 nan 8.230 nan 0.000 0.433 85 Y N 0.916 121.471 120.300 0.425 0.000 2.030 85 Y HA -0.320 4.230 4.550 -0.000 0.000 0.274 85 Y C 2.495 178.563 175.900 0.280 0.000 1.153 85 Y CA 2.432 60.755 58.100 0.370 0.000 1.115 85 Y CB -0.307 38.285 38.460 0.220 0.000 0.969 85 Y HN 0.349 nan 8.280 nan 0.000 0.488 86 E N -1.269 119.158 120.200 0.378 0.000 2.267 86 E HA -0.292 4.058 4.350 -0.000 0.000 0.197 86 E C 1.796 178.446 176.600 0.083 0.000 0.998 86 E CA 1.100 57.624 56.400 0.207 0.000 0.830 86 E CB -0.437 29.381 29.700 0.196 0.000 0.751 86 E HN 0.649 nan 8.360 nan 0.000 0.491 87 Y N -0.182 120.075 120.300 -0.071 0.000 2.315 87 Y HA -0.212 4.337 4.550 -0.000 0.000 0.288 87 Y C 1.119 176.729 175.900 -0.484 0.000 1.154 87 Y CA 1.330 59.242 58.100 -0.314 0.000 1.229 87 Y CB -0.018 38.144 38.460 -0.497 0.000 0.980 87 Y HN -0.021 nan 8.280 nan 0.000 0.540 88 F N -0.416 119.465 119.950 -0.114 0.000 2.727 88 F HA 0.111 4.638 4.527 -0.000 0.000 0.302 88 F C 0.974 176.636 175.800 -0.230 0.000 1.097 88 F CA -0.491 57.381 58.000 -0.214 0.000 1.330 88 F CB -0.543 38.333 39.000 -0.207 0.000 1.084 88 F HN -0.117 nan 8.300 nan 0.000 0.578 101 Q N 2.188 122.050 119.800 0.104 0.000 2.348 101 Q HA 0.314 4.654 4.340 -0.000 0.000 0.265 101 Q C 0.549 176.316 176.000 -0.389 0.000 0.998 101 Q CA -0.395 55.347 55.803 -0.101 0.000 0.831 101 Q CB 2.628 31.306 28.738 -0.101 0.000 1.251 101 Q HN 0.580 nan 8.270 nan 0.000 0.456 102 R N 1.741 121.801 120.500 -0.733 0.000 2.139 102 R HA -0.130 4.210 4.340 -0.000 0.000 0.243 102 R C 1.035 176.959 176.300 -0.626 0.000 1.145 102 R CA 1.869 57.161 56.100 -1.346 0.000 0.976 102 R CB 0.261 29.981 30.300 -0.967 0.000 0.866 102 R HN 0.401 nan 8.270 nan 0.000 0.449 103 S N 0.645 116.134 115.700 -0.352 0.000 2.507 103 S HA -0.055 4.415 4.470 -0.000 0.000 0.235 103 S C 0.594 175.035 174.600 -0.265 0.000 0.988 103 S CA 0.935 58.987 58.200 -0.247 0.000 0.944 103 S CB 0.038 63.170 63.200 -0.113 0.000 0.762 103 S HN 0.409 nan 8.310 nan 0.000 0.526 104 D N -0.016 120.128 120.400 -0.426 0.000 2.349 104 D HA 0.054 4.694 4.640 -0.000 0.000 0.215 104 D C -0.607 175.051 176.300 -1.070 0.000 1.016 104 D CA 0.544 54.133 54.000 -0.685 0.000 0.870 104 D CB 0.153 40.453 40.800 -0.834 0.000 0.917 104 D HN 0.440 nan 8.370 nan 0.000 0.524 105 Y N 0.881 120.968 120.300 -0.355 0.000 2.658 105 Y HA 0.266 4.816 4.550 -0.001 0.000 0.362 105 Y C -0.053 175.795 175.900 -0.087 0.000 1.017 105 Y CA -0.800 56.924 58.100 -0.626 0.000 1.134 105 Y CB 0.553 38.322 38.460 -1.151 0.000 1.144 105 Y HN -0.255 nan 8.280 nan 0.000 0.655 106 I N 5.057 125.813 120.570 0.310 0.000 2.325 106 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 106 I C -2.172 174.222 176.117 0.462 0.000 1.019 106 I CA -3.047 58.493 61.300 0.399 0.000 1.302 106 I CB 0.931 39.086 38.000 0.258 0.000 1.401 106 I HN 0.220 nan 8.210 nan 0.000 0.485 107 P HA 0.108 nan 4.420 nan 0.000 0.271 107 P C 0.150 177.429 177.300 -0.035 0.000 1.216 107 P CA -0.105 63.048 63.100 0.088 0.000 0.776 107 P CB 1.517 33.181 31.700 -0.061 0.000 0.881 108 D N 1.041 121.361 120.400 -0.133 0.000 2.117 108 D HA -0.105 4.535 4.640 -0.000 0.000 0.198 108 D C 0.073 176.052 176.300 -0.536 0.000 0.982 108 D CA 1.936 55.744 54.000 -0.320 0.000 0.828 108 D CB 0.059 40.652 40.800 -0.345 0.000 0.967 108 D HN 0.477 nan 8.370 nan 0.000 0.464 109 Y N -0.860 119.335 120.300 -0.174 0.000 2.524 109 Y HA 0.492 5.041 4.550 -0.001 0.000 0.347 109 Y C -0.182 175.643 175.900 -0.125 0.000 1.005 109 Y CA -0.794 57.190 58.100 -0.193 0.000 1.025 109 Y CB 2.188 40.523 38.460 -0.207 0.000 1.275 109 Y HN -0.296 nan 8.280 nan 0.000 0.460 110 I N 3.909 124.533 120.570 0.089 0.000 2.468 110 I HA 0.509 4.678 4.170 -0.000 0.000 0.284 110 I C -1.131 175.144 176.117 0.263 0.000 1.038 110 I CA -0.870 60.492 61.300 0.103 0.000 1.083 110 I CB 1.609 39.619 38.000 0.016 0.000 1.223 110 I HN 0.423 nan 8.210 nan 0.000 0.443 111 V N 4.599 124.668 119.914 0.258 0.000 3.040 111 V HA 1.105 5.225 4.120 -0.000 0.000 0.312 111 V C -0.210 176.001 176.094 0.194 0.000 1.115 111 V CA 0.116 62.553 62.300 0.229 0.000 0.998 111 V CB 1.894 33.740 31.823 0.038 0.000 1.042 111 V HN 0.980 nan 8.190 nan 0.000 0.433 112 G N 3.559 112.289 108.800 -0.116 0.000 2.346 112 G HA2 0.130 4.089 3.960 -0.000 0.000 0.294 112 G HA3 0.130 4.089 3.960 -0.000 0.000 0.294 112 G C -0.454 174.145 174.900 -0.501 0.000 1.294 112 G CA 0.225 45.237 45.100 -0.147 0.000 0.962 112 G HN 1.472 nan 8.290 nan 0.000 0.508 113 D N -1.106 119.164 120.400 -0.217 0.000 2.349 113 D HA 0.178 4.818 4.640 -0.000 0.000 0.224 113 D C 1.077 177.328 176.300 -0.080 0.000 1.029 113 D CA 0.200 54.074 54.000 -0.210 0.000 0.879 113 D CB -0.310 40.465 40.800 -0.043 0.000 0.906 113 D HN 0.711 nan 8.370 nan 0.000 0.528 114 F N 1.284 121.265 119.950 0.053 0.000 3.091 114 F HA -0.186 4.341 4.527 -0.001 0.000 0.288 114 F C 0.521 176.349 175.800 0.046 0.000 0.907 114 F CA 0.314 58.344 58.000 0.051 0.000 1.028 114 F CB -2.581 36.450 39.000 0.051 0.000 1.022 114 F HN 0.211 nan 8.300 nan 0.000 0.665 115 D N -1.736 118.788 120.400 0.208 0.000 2.349 115 D HA 0.124 4.764 4.640 -0.000 0.000 0.214 115 D C 1.564 177.931 176.300 0.111 0.000 1.063 115 D CA 0.980 55.059 54.000 0.132 0.000 0.847 115 D CB -0.281 40.573 40.800 0.090 0.000 0.933 115 D HN 0.348 nan 8.370 nan 0.000 0.513 116 S N -0.430 115.347 115.700 0.129 0.000 2.613 116 S HA 0.158 4.628 4.470 -0.000 0.000 0.235 116 S C 0.846 175.496 174.600 0.083 0.000 1.073 116 S CA -0.596 57.662 58.200 0.097 0.000 0.899 116 S CB -0.103 63.155 63.200 0.097 0.000 0.818 116 S HN 0.225 nan 8.310 nan 0.000 0.484 117 I N 4.226 124.851 120.570 0.092 0.000 2.775 117 I HA 0.106 4.276 4.170 -0.000 0.000 0.290 117 I C 0.356 176.477 176.117 0.008 0.000 1.203 117 I CA -0.000 61.320 61.300 0.034 0.000 1.433 117 I CB 0.877 38.847 38.000 -0.051 0.000 1.354 117 I HN 0.535 nan 8.210 nan 0.000 0.579 118 S N 7.053 122.746 115.700 -0.012 0.000 2.565 118 S HA 0.372 4.842 4.470 -0.000 0.000 0.274 118 S C -1.748 172.818 174.600 -0.056 0.000 1.309 118 S CA -1.089 57.092 58.200 -0.032 0.000 1.043 118 S CB 1.469 64.636 63.200 -0.055 0.000 0.939 118 S HN 0.515 nan 8.310 nan 0.000 0.504 119 P HA -0.160 nan 4.420 nan 0.000 0.215 119 P C 0.774 178.040 177.300 -0.057 0.000 1.163 119 P CA 1.508 64.585 63.100 -0.038 0.000 0.894 119 P CB -0.010 31.679 31.700 -0.020 0.000 0.791 120 D N -1.128 119.220 120.400 -0.087 0.000 2.097 120 D HA -0.108 4.532 4.640 -0.000 0.000 0.195 120 D C 2.050 178.241 176.300 -0.182 0.000 0.989 120 D CA 0.979 54.907 54.000 -0.120 0.000 0.827 120 D CB -0.956 39.748 40.800 -0.162 0.000 0.966 120 D HN -0.026 nan 8.370 nan 0.000 0.456 121 V N 1.068 120.816 119.914 -0.276 0.000 2.295 121 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 121 V C 2.478 178.592 176.094 0.033 0.000 1.049 121 V CA 1.742 63.880 62.300 -0.270 0.000 1.024 121 V CB -0.461 31.258 31.823 -0.173 0.000 0.648 121 V HN 0.192 nan 8.190 nan 0.000 0.447 122 K N -0.202 120.196 120.400 -0.003 0.000 2.032 122 K HA -0.222 4.098 4.320 -0.000 0.000 0.209 122 K C 2.163 178.781 176.600 0.029 0.000 1.048 122 K CA 2.199 58.479 56.287 -0.012 0.000 0.927 122 K CB -0.381 32.045 32.500 -0.123 0.000 0.712 122 K HN 0.518 nan 8.250 nan 0.000 0.441 123 T N 0.257 114.818 114.554 0.011 0.000 2.708 123 T HA -0.197 4.153 4.350 -0.000 0.000 0.266 123 T C 1.477 176.208 174.700 0.051 0.000 1.037 123 T CA 1.574 63.688 62.100 0.023 0.000 1.146 123 T CB -0.570 68.307 68.868 0.015 0.000 0.865 123 T HN 0.365 nan 8.240 nan 0.000 0.435 124 Y N 1.034 121.293 120.300 -0.068 0.000 2.053 124 Y HA -0.302 4.247 4.550 -0.001 0.000 0.277 124 Y C 2.143 178.039 175.900 -0.007 0.000 1.159 124 Y CA 1.433 59.486 58.100 -0.078 0.000 1.125 124 Y CB -0.652 37.659 38.460 -0.248 0.000 0.969 124 Y HN 0.228 nan 8.280 nan 0.000 0.492 125 Y N 0.576 120.978 120.300 0.170 0.000 2.293 125 Y HA -0.135 4.415 4.550 -0.000 0.000 0.291 125 Y C 2.390 178.306 175.900 0.026 0.000 1.137 125 Y CA 1.547 59.697 58.100 0.083 0.000 1.202 125 Y CB -0.569 37.983 38.460 0.153 0.000 0.990 125 Y HN 0.287 nan 8.280 nan 0.000 0.537 126 E N -0.394 119.887 120.200 0.135 0.000 2.110 126 E HA -0.167 4.182 4.350 -0.000 0.000 0.193 126 E C 2.102 178.705 176.600 0.005 0.000 0.988 126 E CA 1.505 57.942 56.400 0.062 0.000 0.804 126 E CB -0.262 29.458 29.700 0.033 0.000 0.745 126 E HN 0.444 nan 8.360 nan 0.000 0.458 127 S N -0.151 115.522 115.700 -0.045 0.000 2.603 127 S HA -0.076 4.394 4.470 -0.000 0.000 0.229 127 S C 0.956 175.354 174.600 -0.337 0.000 0.972 127 S CA 0.621 58.723 58.200 -0.163 0.000 0.935 127 S CB -0.160 62.929 63.200 -0.186 0.000 0.769 127 S HN 0.279 nan 8.310 nan 0.000 0.536 128 H N -0.087 118.877 119.070 -0.177 0.000 2.784 128 H HA 0.455 5.011 4.556 -0.000 0.000 0.273 128 H C 1.464 176.760 175.328 -0.053 0.000 1.112 128 H CA 0.070 56.026 56.048 -0.153 0.000 1.162 128 H CB 0.810 30.432 29.762 -0.234 0.000 1.586 128 H HN 0.463 nan 8.280 nan 0.000 0.548 129 G N 0.038 108.858 108.800 0.034 0.000 2.176 129 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.232 129 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.232 129 G C 0.280 175.188 174.900 0.013 0.000 0.986 129 G CA 0.160 45.274 45.100 0.022 0.000 0.643 129 G HN 0.301 nan 8.290 nan 0.000 0.522 130 S N 1.021 116.751 115.700 0.050 0.000 2.549 130 S HA 0.333 4.803 4.470 -0.000 0.000 0.286 130 S C 0.637 175.186 174.600 -0.084 0.000 1.314 130 S CA 0.161 58.351 58.200 -0.016 0.000 1.062 130 S CB 0.726 63.961 63.200 0.059 0.000 0.865 130 S HN 0.425 nan 8.310 nan 0.000 0.498 131 K N 2.947 123.183 120.400 -0.273 0.000 2.316 131 K HA 0.229 4.548 4.320 -0.000 0.000 0.289 131 K C -0.507 175.930 176.600 -0.271 0.000 1.070 131 K CA -0.253 55.775 56.287 -0.432 0.000 0.928 131 K CB 0.304 32.150 32.500 -1.090 0.000 1.039 131 K HN 0.381 nan 8.250 nan 0.000 0.480 132 I N 5.375 125.927 120.570 -0.029 0.000 2.325 132 I HA 0.215 4.384 4.170 -0.000 0.000 0.291 132 I C 0.227 176.482 176.117 0.231 0.000 1.019 132 I CA -0.452 60.937 61.300 0.149 0.000 1.302 132 I CB 0.497 38.617 38.000 0.200 0.000 1.401 132 I HN 0.518 nan 8.210 nan 0.000 0.485 133 I N 6.546 127.259 120.570 0.239 0.000 2.502 133 I HA 0.329 4.499 4.170 -0.000 0.000 0.276 133 I C 0.365 176.482 176.117 0.001 0.000 1.057 133 I CA -0.612 60.772 61.300 0.139 0.000 1.163 133 I CB 0.947 38.958 38.000 0.019 0.000 1.288 133 I HN 0.496 nan 8.210 nan 0.000 0.479 134 R N 5.211 125.660 120.500 -0.087 0.000 2.340 134 R HA 0.327 4.666 4.340 -0.000 0.000 0.300 134 R C -0.767 175.349 176.300 -0.306 0.000 1.069 134 R CA -0.225 55.532 56.100 -0.573 0.000 0.984 134 R CB 0.792 30.907 30.300 -0.309 0.000 1.003 134 R HN 0.452 nan 8.270 nan 0.000 0.459 135 Q N 2.455 122.047 119.800 -0.347 0.000 2.303 135 Q HA 0.124 4.463 4.340 -0.000 0.000 0.267 135 Q C -0.000 175.933 176.000 -0.112 0.000 1.011 135 Q CA -0.268 55.446 55.803 -0.148 0.000 0.740 135 Q CB 2.189 30.871 28.738 -0.093 0.000 1.250 135 Q HN 0.872 nan 8.270 nan 0.000 0.458 136 S N 0.097 115.768 115.700 -0.048 0.000 2.603 136 S HA 0.012 4.482 4.470 -0.000 0.000 0.220 136 S C 0.990 175.626 174.600 0.059 0.000 0.967 136 S CA -0.124 58.073 58.200 -0.005 0.000 0.920 136 S CB 0.259 63.465 63.200 0.010 0.000 0.773 136 S HN 0.404 nan 8.310 nan 0.000 0.529 137 S N 1.364 117.130 115.700 0.110 0.000 2.563 137 S HA 0.005 4.475 4.470 -0.000 0.000 0.294 137 S C 0.748 175.455 174.600 0.179 0.000 1.279 137 S CA -0.209 58.121 58.200 0.216 0.000 1.069 137 S CB 0.347 63.764 63.200 0.361 0.000 0.828 137 S HN 0.637 nan 8.310 nan 0.000 0.497 138 Q N 3.207 123.100 119.800 0.156 0.000 2.246 138 Q HA 0.146 4.486 4.340 -0.000 0.000 0.202 138 Q C -0.095 175.697 176.000 -0.346 0.000 0.883 138 Q CA 0.330 56.085 55.803 -0.080 0.000 0.952 138 Q CB 0.237 28.877 28.738 -0.163 0.000 1.078 138 Q HN 0.918 nan 8.270 nan 0.000 0.493 139 Y N -1.649 118.661 120.300 0.017 0.000 2.430 139 Y HA 0.184 4.734 4.550 -0.001 0.000 0.248 139 Y C -0.237 175.496 175.900 -0.279 0.000 1.108 139 Y CA -0.227 57.787 58.100 -0.144 0.000 1.264 139 Y CB 0.892 39.219 38.460 -0.221 0.000 1.172 139 Y HN -0.013 nan 8.280 nan 0.000 0.520 140 Y N 0.817 121.199 120.300 0.137 0.000 2.462 140 Y HA 0.310 4.860 4.550 -0.001 0.000 0.346 140 Y C -0.127 175.812 175.900 0.065 0.000 0.976 140 Y CA -1.914 56.252 58.100 0.111 0.000 1.044 140 Y CB 0.991 39.532 38.460 0.136 0.000 1.230 140 Y HN -0.031 nan 8.280 nan 0.000 0.455 141 N N -0.107 118.722 118.700 0.216 0.000 2.447 141 N HA 0.126 4.866 4.740 -0.000 0.000 0.271 141 N C 0.060 175.662 175.510 0.152 0.000 1.226 141 N CA -0.497 52.643 53.050 0.149 0.000 0.980 141 N CB 0.573 39.133 38.487 0.122 0.000 1.206 141 N HN 0.516 nan 8.380 nan 0.000 0.558 142 D N -0.756 119.720 120.400 0.127 0.000 2.218 142 D HA -0.134 4.505 4.640 -0.000 0.000 0.204 142 D C 1.259 177.619 176.300 0.100 0.000 0.976 142 D CA 0.877 54.938 54.000 0.101 0.000 0.853 142 D CB -0.332 40.536 40.800 0.112 0.000 0.939 142 D HN 0.517 nan 8.370 nan 0.000 0.481 143 F N 1.850 121.813 119.950 0.022 0.000 2.051 143 F HA -0.223 4.304 4.527 -0.001 0.000 0.296 143 F C 2.360 178.136 175.800 -0.040 0.000 1.122 143 F CA 1.601 59.606 58.000 0.009 0.000 1.201 143 F CB -0.571 38.447 39.000 0.031 0.000 0.978 143 F HN -0.159 nan 8.300 nan 0.000 0.472 144 T N 0.788 115.409 114.554 0.112 0.000 2.684 144 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 144 T C 1.880 176.403 174.700 -0.295 0.000 1.036 144 T CA 1.961 64.000 62.100 -0.101 0.000 1.148 144 T CB -0.312 68.623 68.868 0.112 0.000 0.863 144 T HN 0.240 nan 8.240 nan 0.000 0.436 145 K N 0.973 121.306 120.400 -0.112 0.000 2.103 145 K HA -0.043 4.276 4.320 -0.000 0.000 0.207 145 K C 2.758 179.269 176.600 -0.148 0.000 1.048 145 K CA 1.414 57.646 56.287 -0.091 0.000 0.930 145 K CB -0.167 32.315 32.500 -0.031 0.000 0.716 145 K HN 0.156 nan 8.250 nan 0.000 0.444 146 S N 0.929 116.508 115.700 -0.203 0.000 2.368 146 S HA -0.069 4.401 4.470 -0.000 0.000 0.224 146 S C 1.885 176.275 174.600 -0.350 0.000 1.029 146 S CA 0.815 58.869 58.200 -0.244 0.000 0.988 146 S CB -0.124 62.935 63.200 -0.235 0.000 0.838 146 S HN 0.152 nan 8.310 nan 0.000 0.462 147 I N 1.637 121.907 120.570 -0.501 0.000 2.179 147 I HA -0.187 3.982 4.170 -0.000 0.000 0.242 147 I C 2.146 177.987 176.117 -0.459 0.000 1.088 147 I CA 1.682 62.662 61.300 -0.534 0.000 1.357 147 I CB -1.553 36.074 38.000 -0.622 0.000 1.051 147 I HN 0.436 nan 8.210 nan 0.000 0.409 148 H N -0.820 117.991 119.070 -0.431 0.000 2.352 148 H HA -0.227 4.329 4.556 -0.001 0.000 0.299 148 H C 2.541 177.623 175.328 -0.410 0.000 1.097 148 H CA 1.605 57.353 56.048 -0.499 0.000 1.311 148 H CB 0.033 29.604 29.762 -0.318 0.000 1.377 148 H HN 0.428 nan 8.280 nan 0.000 0.504 149 C N 0.683 119.891 119.300 -0.154 0.000 2.429 149 C HA -0.137 4.323 4.460 -0.000 0.000 0.277 149 C C 2.607 177.414 174.990 -0.306 0.000 1.262 149 C CA 0.820 59.755 59.018 -0.139 0.000 1.733 149 C CB -1.206 26.403 27.740 -0.219 0.000 2.010 149 C HN 0.486 nan 8.230 nan 0.000 0.483 150 I N 0.390 120.755 120.570 -0.342 0.000 2.252 150 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 150 I C 2.823 178.798 176.117 -0.237 0.000 1.102 150 I CA 1.725 62.852 61.300 -0.287 0.000 1.385 150 I CB -0.599 37.252 38.000 -0.249 0.000 1.064 150 I HN 0.478 nan 8.210 nan 0.000 0.414 151 Q N 0.390 119.923 119.800 -0.446 0.000 2.079 151 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 151 Q C 2.386 178.090 176.000 -0.493 0.000 0.974 151 Q CA 1.339 56.761 55.803 -0.634 0.000 0.840 151 Q CB -0.087 27.809 28.738 -1.403 0.000 0.898 151 Q HN 0.520 nan 8.270 nan 0.000 0.430 152 L N -0.484 120.436 121.223 -0.506 0.000 2.141 152 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 152 L C 2.400 178.798 176.870 -0.787 0.000 1.094 152 L CA 1.098 55.639 54.840 -0.500 0.000 0.763 152 L CB -0.415 41.321 42.059 -0.538 0.000 0.908 152 L HN 0.332 nan 8.230 nan 0.000 0.437 153 H N -0.447 118.180 119.070 -0.738 0.000 2.321 153 H HA -0.229 4.326 4.556 -0.001 0.000 0.300 153 H C 1.755 176.760 175.328 -0.538 0.000 1.087 153 H CA 1.907 57.568 56.048 -0.646 0.000 1.319 153 H CB -0.156 29.312 29.762 -0.490 0.000 1.379 153 H HN 0.235 nan 8.280 nan 0.000 0.501 154 Y N -0.009 120.098 120.300 -0.322 0.000 2.632 154 Y HA -0.035 4.514 4.550 -0.000 0.000 0.301 154 Y C 1.861 177.556 175.900 -0.342 0.000 1.172 154 Y CA 0.471 58.363 58.100 -0.347 0.000 1.328 154 Y CB 0.301 38.591 38.460 -0.283 0.000 1.016 154 Y HN 0.380 nan 8.280 nan 0.000 0.529 155 Q N -1.853 117.829 119.800 -0.197 0.000 2.442 155 Q HA 0.151 4.490 4.340 -0.000 0.000 0.228 155 Q C 1.332 177.321 176.000 -0.017 0.000 0.902 155 Q CA 0.671 56.424 55.803 -0.084 0.000 0.933 155 Q CB 0.319 29.063 28.738 0.010 0.000 1.071 155 Q HN 0.389 nan 8.270 nan 0.000 0.562 156 L N 0.457 121.529 121.223 -0.251 0.000 2.685 156 L HA 0.180 4.520 4.340 -0.000 0.000 0.235 156 L C 1.765 178.502 176.870 -0.220 0.000 1.070 156 L CA 0.502 55.196 54.840 -0.244 0.000 0.888 156 L CB -0.682 41.147 42.059 -0.384 0.000 1.203 156 L HN 0.178 nan 8.230 nan 0.000 0.499 157 N N 0.577 119.052 118.700 -0.374 0.000 2.069 157 N HA -0.255 4.485 4.740 -0.000 0.000 0.191 157 N C 1.882 177.399 175.510 0.012 0.000 1.031 157 N CA 1.783 54.763 53.050 -0.117 0.000 0.852 157 N CB -0.033 38.227 38.487 -0.377 0.000 1.018 157 N HN 0.534 nan 8.380 nan 0.000 0.423 158 H N -0.940 118.017 119.070 -0.189 0.000 2.518 158 H HA -0.067 4.488 4.556 -0.000 0.000 0.294 158 H C 1.588 176.902 175.328 -0.024 0.000 1.083 158 H CA 1.631 57.632 56.048 -0.079 0.000 1.264 158 H CB -0.854 28.864 29.762 -0.074 0.000 1.370 158 H HN 0.198 nan 8.280 nan 0.000 0.560 159 T N -1.259 113.018 114.554 -0.462 0.000 3.038 159 T HA 0.121 4.471 4.350 -0.000 0.000 0.244 159 T C 0.483 175.121 174.700 -0.103 0.000 1.016 159 T CA -0.015 61.879 62.100 -0.343 0.000 1.098 159 T CB 0.246 68.838 68.868 -0.460 0.000 0.954 159 T HN 0.317 nan 8.240 nan 0.000 0.469 160 K N 1.389 121.785 120.400 -0.007 0.000 2.604 160 K HA 0.301 4.621 4.320 -0.000 0.000 0.247 160 K C 0.085 176.853 176.600 0.280 0.000 0.956 160 K CA -0.232 56.124 56.287 0.116 0.000 0.896 160 K CB 1.605 34.190 32.500 0.141 0.000 1.131 160 K HN -0.114 nan 8.250 nan 0.000 0.440 161 E N 2.228 122.557 120.200 0.215 0.000 2.204 161 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 161 E C 0.588 177.386 176.600 0.330 0.000 0.989 161 E CA 1.426 57.995 56.400 0.281 0.000 0.824 161 E CB 0.193 29.990 29.700 0.162 0.000 0.756 161 E HN 0.638 nan 8.360 nan 0.000 0.477 162 N N -0.030 118.761 118.700 0.151 0.000 2.389 162 N HA -0.038 4.702 4.740 -0.000 0.000 0.260 162 N C 1.053 176.374 175.510 -0.314 0.000 1.191 162 N CA -0.182 52.767 53.050 -0.169 0.000 0.885 162 N CB -0.886 37.446 38.487 -0.259 0.000 1.162 162 N HN 0.329 nan 8.380 nan 0.000 0.512 163 W N 0.924 122.271 121.300 0.078 0.000 2.341 163 W HA -0.175 4.485 4.660 -0.000 0.000 0.283 163 W C 0.686 177.246 176.519 0.068 0.000 1.215 163 W CA 0.283 57.668 57.345 0.065 0.000 1.211 163 W CB -1.209 28.326 29.460 0.125 0.000 1.131 163 W HN 0.132 nan 8.180 nan 0.000 0.552 164 F N 1.147 120.509 119.950 -0.980 0.000 2.416 164 F HA 0.217 4.744 4.527 -0.000 0.000 0.296 164 F C 2.040 177.626 175.800 -0.356 0.000 1.099 164 F CA 0.809 58.268 58.000 -0.901 0.000 1.427 164 F CB -1.287 36.934 39.000 -1.299 0.000 1.079 164 F HN -0.143 nan 8.300 nan 0.000 0.536 165 E N 0.992 120.442 120.200 -1.251 0.000 2.219 165 E HA -0.190 4.160 4.350 -0.000 0.000 0.198 165 E C 1.629 178.049 176.600 -0.300 0.000 0.998 165 E CA 1.665 57.613 56.400 -0.753 0.000 0.818 165 E CB -0.379 28.866 29.700 -0.758 0.000 0.741 165 E HN 0.615 nan 8.360 nan 0.000 0.477 166 S N 0.237 115.809 115.700 -0.213 0.000 2.568 166 S HA 0.155 4.625 4.470 -0.000 0.000 0.232 166 S C 0.893 175.469 174.600 -0.041 0.000 0.975 166 S CA -0.661 57.479 58.200 -0.100 0.000 0.949 166 S CB -0.658 62.495 63.200 -0.078 0.000 0.829 166 S HN 0.269 nan 8.310 nan 0.000 0.479 167 I N -0.640 119.914 120.570 -0.026 0.000 3.004 167 I HA 0.339 4.508 4.170 -0.000 0.000 0.287 167 I C 0.247 176.372 176.117 0.014 0.000 1.144 167 I CA -0.587 60.725 61.300 0.020 0.000 1.353 167 I CB 0.360 38.395 38.000 0.058 0.000 1.417 167 I HN -0.043 nan 8.210 nan 0.000 0.602 168 D N 3.105 123.518 120.400 0.022 0.000 2.455 168 D HA -0.043 4.597 4.640 -0.000 0.000 0.241 168 D C 0.732 177.042 176.300 0.016 0.000 1.138 168 D CA 0.288 54.299 54.000 0.019 0.000 0.877 168 D CB 1.077 41.891 40.800 0.023 0.000 1.187 168 D HN 0.676 nan 8.370 nan 0.000 0.451 169 E N 1.855 122.063 120.200 0.014 0.000 2.268 169 E HA -0.100 4.249 4.350 -0.000 0.000 0.195 169 E C 1.716 178.320 176.600 0.006 0.000 0.995 169 E CA 0.532 56.936 56.400 0.007 0.000 0.836 169 E CB 0.454 30.160 29.700 0.011 0.000 0.763 169 E HN 0.362 nan 8.360 nan 0.000 0.491 170 V N 1.678 121.608 119.914 0.027 0.000 2.326 170 V HA -0.111 4.008 4.120 -0.000 0.000 0.238 170 V C 0.987 177.119 176.094 0.064 0.000 1.038 170 V CA 1.673 64.004 62.300 0.052 0.000 1.032 170 V CB -0.086 31.780 31.823 0.072 0.000 0.675 170 V HN 0.331 nan 8.190 nan 0.000 0.467 171 D N -0.874 119.560 120.400 0.058 0.000 2.865 171 D HA 0.191 4.830 4.640 -0.000 0.000 0.347 171 D C 1.303 177.597 176.300 -0.010 0.000 1.498 171 D CA 0.490 54.508 54.000 0.030 0.000 0.787 171 D CB -0.034 40.839 40.800 0.121 0.000 1.190 171 D HN 0.217 nan 8.370 nan 0.000 0.445 172 G N 0.787 109.591 108.800 0.007 0.000 2.442 172 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 172 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 172 G C 1.439 176.353 174.900 0.024 0.000 1.141 172 G CA 0.594 45.708 45.100 0.022 0.000 0.763 172 G HN 0.352 nan 8.290 nan 0.000 0.554 173 L N 0.521 121.749 121.223 0.008 0.000 2.017 173 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 173 L C 3.436 180.221 176.870 -0.141 0.000 1.073 173 L CA 1.085 55.933 54.840 0.014 0.000 0.745 173 L CB -0.494 41.583 42.059 0.029 0.000 0.894 173 L HN 0.314 nan 8.230 nan 0.000 0.432 174 A N 0.267 122.938 122.820 -0.249 0.000 1.877 174 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 174 A C 2.329 179.816 177.584 -0.162 0.000 1.186 174 A CA 1.782 53.579 52.037 -0.400 0.000 0.620 174 A CB -0.351 18.296 19.000 -0.588 0.000 0.822 174 A HN 0.325 nan 8.150 nan 0.000 0.443 175 K N -0.906 119.455 120.400 -0.066 0.000 2.002 175 K HA -0.104 4.216 4.320 -0.000 0.000 0.209 175 K C 1.952 178.548 176.600 -0.007 0.000 1.048 175 K CA 1.374 57.654 56.287 -0.012 0.000 0.930 175 K CB -0.453 32.053 32.500 0.010 0.000 0.714 175 K HN 0.357 nan 8.250 nan 0.000 0.438 176 L N 1.091 122.326 121.223 0.020 0.000 2.042 176 L HA -0.183 4.156 4.340 -0.000 0.000 0.210 176 L C 1.956 178.860 176.870 0.058 0.000 1.076 176 L CA 1.683 56.556 54.840 0.054 0.000 0.749 176 L CB -0.608 41.526 42.059 0.126 0.000 0.893 176 L HN 0.415 nan 8.230 nan 0.000 0.432 177 W N -0.059 121.134 121.300 -0.178 0.000 2.388 177 W HA -0.232 4.427 4.660 -0.001 0.000 0.294 177 W C 2.244 178.687 176.519 -0.126 0.000 1.212 177 W CA 1.278 58.502 57.345 -0.202 0.000 1.271 177 W CB -0.125 29.104 29.460 -0.385 0.000 1.126 177 W HN 0.348 nan 8.180 nan 0.000 0.535 178 N N 0.609 119.228 118.700 -0.135 0.000 2.216 178 N HA -0.096 4.644 4.740 -0.000 0.000 0.183 178 N C 1.953 177.360 175.510 -0.172 0.000 1.017 178 N CA 1.665 54.613 53.050 -0.170 0.000 0.861 178 N CB -0.595 37.866 38.487 -0.044 0.000 0.986 178 N HN 0.203 nan 8.380 nan 0.000 0.428 179 G N 1.439 110.169 108.800 -0.116 0.000 2.402 179 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.216 179 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.216 179 G C 1.795 176.616 174.900 -0.131 0.000 1.162 179 G CA 0.197 45.241 45.100 -0.093 0.000 0.777 179 G HN 0.228 nan 8.290 nan 0.000 0.539 180 L N 0.603 121.723 121.223 -0.171 0.000 2.042 180 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 180 L C 2.722 179.439 176.870 -0.256 0.000 1.076 180 L CA 0.980 55.702 54.840 -0.196 0.000 0.749 180 L CB -0.351 41.579 42.059 -0.216 0.000 0.893 180 L HN 0.209 nan 8.230 nan 0.000 0.432 181 N N 0.039 118.516 118.700 -0.371 0.000 2.244 181 N HA -0.148 4.592 4.740 -0.000 0.000 0.183 181 N C 1.488 176.886 175.510 -0.187 0.000 1.016 181 N CA 1.162 54.017 53.050 -0.325 0.000 0.866 181 N CB -0.300 37.943 38.487 -0.406 0.000 0.980 181 N HN 0.354 nan 8.380 nan 0.000 0.430 182 N N 0.233 118.840 118.700 -0.156 0.000 2.381 182 N HA 0.006 4.745 4.740 -0.000 0.000 0.182 182 N C 1.003 176.464 175.510 -0.082 0.000 1.025 182 N CA 0.655 53.645 53.050 -0.100 0.000 0.888 182 N CB 0.021 38.460 38.487 -0.080 0.000 0.965 182 N HN 0.020 nan 8.380 nan 0.000 0.438 183 S N -0.608 115.038 115.700 -0.090 0.000 2.556 183 S HA 0.135 4.605 4.470 -0.000 0.000 0.216 183 S C 0.384 174.942 174.600 -0.069 0.000 0.970 183 S CA -0.176 57.983 58.200 -0.068 0.000 0.912 183 S CB 0.173 63.336 63.200 -0.060 0.000 0.790 183 S HN 0.167 nan 8.310 nan 0.000 0.504 184 S N 1.842 117.489 115.700 -0.088 0.000 3.587 184 S HA -0.141 4.329 4.470 -0.000 0.000 0.337 184 S C -0.060 174.496 174.600 -0.073 0.000 1.119 184 S CA 0.579 58.731 58.200 -0.079 0.000 0.976 184 S CB -1.140 62.027 63.200 -0.055 0.000 0.922 184 S HN 0.576 nan 8.310 nan 0.000 0.503 185 D N 0.902 121.249 120.400 -0.089 0.000 2.460 185 D HA 0.237 4.876 4.640 -0.000 0.000 0.229 185 D C -0.049 176.205 176.300 -0.077 0.000 1.170 185 D CA 0.213 54.173 54.000 -0.067 0.000 0.827 185 D CB 0.528 41.293 40.800 -0.058 0.000 0.973 185 D HN 0.299 nan 8.370 nan 0.000 0.496 186 V N 1.781 121.633 119.914 -0.102 0.000 2.384 186 V HA 0.148 4.267 4.120 -0.000 0.000 0.287 186 V C 0.513 176.585 176.094 -0.037 0.000 1.020 186 V CA -1.022 61.220 62.300 -0.097 0.000 0.850 186 V CB 1.916 33.605 31.823 -0.223 0.000 0.987 186 V HN 0.007 nan 8.190 nan 0.000 0.436 187 V N 4.363 124.272 119.914 -0.008 0.000 2.370 187 V HA 0.246 4.366 4.120 -0.000 0.000 0.257 187 V C 0.758 176.861 176.094 0.015 0.000 1.064 187 V CA -0.073 62.224 62.300 -0.005 0.000 0.975 187 V CB 0.752 32.562 31.823 -0.021 0.000 1.067 187 V HN 0.561 nan 8.190 nan 0.000 0.485 188 V N 3.940 123.867 119.914 0.022 0.000 3.510 188 V HA 0.001 4.121 4.120 -0.000 0.000 0.270 188 V C 0.579 176.691 176.094 0.029 0.000 1.201 188 V CA 1.008 63.339 62.300 0.051 0.000 1.166 188 V CB -1.419 30.434 31.823 0.051 0.000 0.825 188 V HN 1.103 nan 8.190 nan 0.000 0.484 189 D N 0.830 121.233 120.400 0.005 0.000 2.590 189 D HA 0.515 5.155 4.640 -0.000 0.000 0.280 189 D C -0.488 175.798 176.300 -0.025 0.000 1.197 189 D CA 0.081 54.077 54.000 -0.007 0.000 0.967 189 D CB 0.929 41.726 40.800 -0.005 0.000 0.987 189 D HN 0.347 nan 8.370 nan 0.000 0.508 190 I N 0.463 121.007 120.570 -0.044 0.000 2.586 190 I HA 0.205 4.375 4.170 -0.000 0.000 0.288 190 I C -1.507 174.549 176.117 -0.102 0.000 1.147 190 I CA -0.787 60.462 61.300 -0.085 0.000 1.047 190 I CB 1.769 39.661 38.000 -0.181 0.000 1.244 190 I HN -0.036 nan 8.210 nan 0.000 0.429 191 D N 8.888 129.261 120.400 -0.045 0.000 2.325 191 D HA 0.352 4.992 4.640 -0.000 0.000 0.251 191 D C -0.333 175.903 176.300 -0.108 0.000 1.196 191 D CA 0.068 54.029 54.000 -0.065 0.000 0.866 191 D CB 1.715 42.492 40.800 -0.038 0.000 1.101 191 D HN 0.248 nan 8.370 nan 0.000 0.476 192 I N 1.666 122.120 120.570 -0.194 0.000 2.509 192 I HA 0.214 4.384 4.170 -0.000 0.000 0.293 192 I C 0.371 176.349 176.117 -0.232 0.000 1.020 192 I CA -0.497 60.644 61.300 -0.265 0.000 1.088 192 I CB 1.876 39.642 38.000 -0.390 0.000 1.267 192 I HN 0.048 nan 8.210 nan 0.000 0.430 193 T N 6.976 121.398 114.554 -0.220 0.000 2.786 193 T HA 0.633 4.983 4.350 -0.000 0.000 0.283 193 T C 0.003 174.481 174.700 -0.370 0.000 0.992 193 T CA -0.267 61.650 62.100 -0.305 0.000 0.954 193 T CB 1.108 69.826 68.868 -0.250 0.000 0.934 193 T HN 0.257 nan 8.240 nan 0.000 0.440 194 I N 3.748 124.055 120.570 -0.439 0.000 2.355 194 I HA 0.341 4.511 4.170 -0.000 0.000 0.288 194 I C -0.937 174.920 176.117 -0.433 0.000 0.999 194 I CA -0.956 60.123 61.300 -0.368 0.000 1.163 194 I CB 1.031 38.847 38.000 -0.306 0.000 1.316 194 I HN 0.564 nan 8.210 nan 0.000 0.454 195 Y N 5.677 125.907 120.300 -0.116 0.000 2.383 195 Y HA 0.380 4.930 4.550 -0.001 0.000 0.344 195 Y C 0.147 175.979 175.900 -0.114 0.000 0.986 195 Y CA -0.624 57.402 58.100 -0.123 0.000 1.175 195 Y CB 1.198 39.552 38.460 -0.177 0.000 1.152 195 Y HN 0.204 nan 8.280 nan 0.000 0.511 196 V N 6.108 126.037 119.914 0.025 0.000 2.370 196 V HA 0.381 4.501 4.120 -0.000 0.000 0.283 196 V C -0.091 176.124 176.094 0.202 0.000 1.023 196 V CA -0.907 61.456 62.300 0.106 0.000 0.857 196 V CB 1.216 33.127 31.823 0.147 0.000 0.985 196 V HN 0.592 nan 8.190 nan 0.000 0.443 197 L N 4.700 126.019 121.223 0.159 0.000 2.331 197 L HA 0.596 4.936 4.340 -0.000 0.000 0.275 197 L C 0.671 177.631 176.870 0.150 0.000 1.022 197 L CA -0.704 54.218 54.840 0.136 0.000 0.812 197 L CB 1.334 43.435 42.059 0.070 0.000 1.257 197 L HN 0.727 nan 8.230 nan 0.000 0.435 198 N N 0.924 119.701 118.700 0.128 0.000 2.741 198 N HA -0.215 4.525 4.740 -0.000 0.000 0.251 198 N C 0.553 176.121 175.510 0.097 0.000 1.112 198 N CA 1.107 54.219 53.050 0.103 0.000 0.750 198 N CB -0.922 37.621 38.487 0.094 0.000 1.119 198 N HN 0.814 nan 8.380 nan 0.000 0.561 199 A N -0.742 122.148 122.820 0.116 0.000 2.195 199 A HA 0.275 4.595 4.320 -0.000 0.000 0.210 199 A C 0.781 178.270 177.584 -0.159 0.000 1.165 199 A CA 0.505 52.556 52.037 0.025 0.000 0.806 199 A CB 0.575 19.667 19.000 0.154 0.000 0.847 199 A HN 0.221 nan 8.150 nan 0.000 0.482 200 I N -1.975 118.530 120.570 -0.109 0.000 2.740 200 I HA 0.573 4.743 4.170 -0.000 0.000 0.303 200 I C 1.310 177.409 176.117 -0.031 0.000 1.044 200 I CA 0.534 61.750 61.300 -0.139 0.000 1.064 200 I CB 0.871 38.774 38.000 -0.161 0.000 1.249 200 I HN 0.395 nan 8.210 nan 0.000 0.433 201 G N 3.219 112.016 108.800 -0.005 0.000 2.217 201 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.246 201 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.246 201 G C 0.562 175.491 174.900 0.048 0.000 0.990 201 G CA 0.193 45.316 45.100 0.038 0.000 0.627 201 G HN 1.028 nan 8.290 nan 0.000 0.522 202 G N -0.310 108.512 108.800 0.036 0.000 2.975 202 G HA2 0.507 4.467 3.960 -0.000 0.000 0.159 202 G HA3 0.507 4.467 3.960 -0.000 0.000 0.159 202 G C 0.339 175.277 174.900 0.063 0.000 1.525 202 G CA -0.014 45.112 45.100 0.044 0.000 1.075 202 G HN 0.511 nan 8.290 nan 0.000 0.574 203 R N -0.363 120.168 120.500 0.051 0.000 2.504 203 R HA 0.004 4.344 4.340 -0.000 0.000 0.291 203 R C 1.111 177.466 176.300 0.092 0.000 0.974 203 R CA -0.213 55.929 56.100 0.069 0.000 1.077 203 R CB -0.041 30.283 30.300 0.041 0.000 0.926 203 R HN 0.389 nan 8.270 nan 0.000 0.407 204 F N 3.761 123.691 119.950 -0.034 0.000 2.161 204 F HA -0.263 4.264 4.527 -0.001 0.000 0.300 204 F C 2.017 177.784 175.800 -0.054 0.000 1.089 204 F CA 2.352 60.325 58.000 -0.045 0.000 1.282 204 F CB -0.082 38.898 39.000 -0.035 0.000 1.010 204 F HN 0.730 nan 8.300 nan 0.000 0.485 205 D N -0.245 120.120 120.400 -0.058 0.000 2.178 205 D HA -0.280 4.360 4.640 -0.000 0.000 0.201 205 D C 1.976 178.157 176.300 -0.199 0.000 0.980 205 D CA 1.313 55.222 54.000 -0.152 0.000 0.842 205 D CB -0.954 39.816 40.800 -0.049 0.000 0.948 205 D HN 0.523 nan 8.370 nan 0.000 0.472 206 Q N 0.613 120.323 119.800 -0.150 0.000 2.123 206 Q HA -0.108 4.232 4.340 -0.000 0.000 0.199 206 Q C 1.794 177.634 176.000 -0.267 0.000 0.966 206 Q CA 1.481 57.189 55.803 -0.159 0.000 0.845 206 Q CB -0.039 28.648 28.738 -0.085 0.000 0.907 206 Q HN 0.181 nan 8.270 nan 0.000 0.439 207 T N 0.444 114.815 114.554 -0.304 0.000 2.708 207 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 207 T C 1.852 176.271 174.700 -0.468 0.000 1.037 207 T CA 1.497 63.366 62.100 -0.386 0.000 1.146 207 T CB -0.159 68.508 68.868 -0.336 0.000 0.865 207 T HN 0.123 nan 8.240 nan 0.000 0.435 208 V N 1.306 120.893 119.914 -0.544 0.000 2.427 208 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 208 V C 2.584 178.503 176.094 -0.291 0.000 1.051 208 V CA 1.544 63.581 62.300 -0.440 0.000 1.048 208 V CB -0.629 30.899 31.823 -0.491 0.000 0.666 208 V HN 0.342 nan 8.190 nan 0.000 0.456 209 Q N 0.531 120.165 119.800 -0.276 0.000 2.084 209 Q HA -0.151 4.188 4.340 -0.000 0.000 0.202 209 Q C 2.358 178.184 176.000 -0.291 0.000 0.978 209 Q CA 2.208 57.885 55.803 -0.210 0.000 0.844 209 Q CB -0.463 28.175 28.738 -0.166 0.000 0.898 209 Q HN 0.607 nan 8.270 nan 0.000 0.426 210 S N -0.014 115.406 115.700 -0.466 0.000 2.368 210 S HA -0.099 4.371 4.470 -0.000 0.000 0.225 210 S C 1.691 176.064 174.600 -0.379 0.000 1.030 210 S CA 1.155 58.943 58.200 -0.687 0.000 0.999 210 S CB -0.234 62.437 63.200 -0.882 0.000 0.844 210 S HN 0.362 nan 8.310 nan 0.000 0.459 211 I N 2.365 122.735 120.570 -0.333 0.000 2.252 211 I HA -0.110 4.059 4.170 -0.000 0.000 0.245 211 I C 2.300 178.447 176.117 0.051 0.000 1.102 211 I CA 1.090 62.303 61.300 -0.146 0.000 1.385 211 I CB -1.612 36.312 38.000 -0.127 0.000 1.064 211 I HN 0.290 nan 8.210 nan 0.000 0.414 212 N N 1.191 119.903 118.700 0.020 0.000 2.043 212 N HA -0.233 4.507 4.740 -0.000 0.000 0.193 212 N C 1.788 177.380 175.510 0.136 0.000 1.037 212 N CA 1.598 54.707 53.050 0.099 0.000 0.851 212 N CB -0.048 38.445 38.487 0.010 0.000 1.027 212 N HN 0.223 nan 8.380 nan 0.000 0.422 213 Q N -0.057 119.794 119.800 0.085 0.000 2.170 213 Q HA -0.100 4.240 4.340 -0.000 0.000 0.203 213 Q C 2.079 178.198 176.000 0.197 0.000 0.976 213 Q CA 0.626 56.533 55.803 0.175 0.000 0.858 213 Q CB -0.649 28.257 28.738 0.279 0.000 0.907 213 Q HN 0.457 nan 8.270 nan 0.000 0.433 214 L N -0.385 120.938 121.223 0.166 0.000 2.017 214 L HA -0.194 4.145 4.340 -0.000 0.000 0.208 214 L C 1.986 178.871 176.870 0.025 0.000 1.073 214 L CA 1.755 56.654 54.840 0.098 0.000 0.745 214 L CB -0.677 41.438 42.059 0.094 0.000 0.894 214 L HN 0.052 nan 8.230 nan 0.000 0.432 215 Y N -0.416 119.918 120.300 0.057 0.000 2.200 215 Y HA -0.154 4.396 4.550 -0.001 0.000 0.290 215 Y C 2.436 178.354 175.900 0.029 0.000 1.137 215 Y CA 1.882 60.001 58.100 0.031 0.000 1.163 215 Y CB -0.380 38.089 38.460 0.015 0.000 0.988 215 Y HN 0.144 nan 8.280 nan 0.000 0.518 216 I N -0.641 120.057 120.570 0.213 0.000 2.179 216 I HA -0.367 3.803 4.170 -0.000 0.000 0.242 216 I C 2.214 178.391 176.117 0.099 0.000 1.088 216 I CA 1.573 62.953 61.300 0.133 0.000 1.357 216 I CB -0.396 37.686 38.000 0.136 0.000 1.051 216 I HN 0.249 nan 8.210 nan 0.000 0.409 217 M N 0.034 119.720 119.600 0.143 0.000 2.213 217 M HA -0.218 4.262 4.480 -0.000 0.000 0.263 217 M C 1.997 178.359 176.300 0.103 0.000 1.062 217 M CA 1.783 57.194 55.300 0.186 0.000 1.105 217 M CB -0.661 32.053 32.600 0.190 0.000 1.385 217 M HN 0.245 nan 8.290 nan 0.000 0.417 218 N N 0.510 119.244 118.700 0.057 0.000 2.270 218 N HA -0.178 4.561 4.740 -0.000 0.000 0.181 218 N C 1.562 177.077 175.510 0.008 0.000 1.016 218 N CA 1.267 54.332 53.050 0.025 0.000 0.870 218 N CB 0.055 38.550 38.487 0.014 0.000 0.979 218 N HN 0.376 nan 8.380 nan 0.000 0.431 219 E N -0.595 119.610 120.200 0.008 0.000 2.072 219 E HA -0.139 4.210 4.350 -0.000 0.000 0.190 219 E C 0.661 177.193 176.600 -0.112 0.000 0.982 219 E CA 1.275 57.662 56.400 -0.022 0.000 0.803 219 E CB 0.065 29.767 29.700 0.003 0.000 0.755 219 E HN 0.386 nan 8.360 nan 0.000 0.453 220 D N -0.922 119.335 120.400 -0.238 0.000 2.216 220 D HA -0.052 4.588 4.640 -0.000 0.000 0.208 220 D C -0.205 175.660 176.300 -0.725 0.000 0.960 220 D CA 0.877 54.531 54.000 -0.576 0.000 0.861 220 D CB 0.268 40.513 40.800 -0.927 0.000 0.985 220 D HN 0.237 nan 8.370 nan 0.000 0.493 221 Y N 0.083 120.418 120.300 0.059 0.000 2.662 221 Y HA 0.272 4.822 4.550 -0.001 0.000 0.358 221 Y C -1.801 174.094 175.900 -0.009 0.000 1.041 221 Y CA -2.187 55.935 58.100 0.037 0.000 1.184 221 Y CB 1.254 39.740 38.460 0.043 0.000 1.114 221 Y HN -0.123 nan 8.280 nan 0.000 0.650 222 P HA -0.188 nan 4.420 nan 0.000 0.221 222 P C 0.876 178.177 177.300 0.002 0.000 1.145 222 P CA 1.304 64.417 63.100 0.021 0.000 0.795 222 P CB 0.584 32.290 31.700 0.009 0.000 0.775 223 K N -0.319 120.091 120.400 0.018 0.000 2.459 223 K HA 0.124 4.444 4.320 -0.000 0.000 0.193 223 K C 0.538 177.096 176.600 -0.070 0.000 1.030 223 K CA -0.016 56.256 56.287 -0.025 0.000 1.026 223 K CB -0.087 32.404 32.500 -0.015 0.000 0.809 223 K HN 0.139 nan 8.250 nan 0.000 0.504 224 V N 2.342 122.220 119.914 -0.061 0.000 2.383 224 V HA 0.135 4.254 4.120 -0.000 0.000 0.275 224 V C 0.068 176.050 176.094 -0.186 0.000 1.036 224 V CA -0.357 61.863 62.300 -0.134 0.000 0.889 224 V CB 1.405 33.160 31.823 -0.113 0.000 0.985 224 V HN 0.029 nan 8.190 nan 0.000 0.459 225 T N 5.038 119.427 114.554 -0.275 0.000 2.771 225 T HA 0.541 4.891 4.350 -0.000 0.000 0.281 225 T C -0.253 174.108 174.700 -0.565 0.000 0.982 225 T CA -0.321 61.528 62.100 -0.419 0.000 0.978 225 T CB 1.458 70.056 68.868 -0.451 0.000 0.930 225 T HN 0.340 nan 8.240 nan 0.000 0.447 226 V N 4.392 123.933 119.914 -0.622 0.000 2.459 226 V HA 0.569 4.689 4.120 -0.000 0.000 0.295 226 V C -0.926 174.686 176.094 -0.803 0.000 1.029 226 V CA -0.797 61.116 62.300 -0.644 0.000 0.874 226 V CB 1.057 32.572 31.823 -0.515 0.000 0.985 226 V HN 0.757 nan 8.190 nan 0.000 0.438 227 F N 4.150 123.815 119.950 -0.475 0.000 2.477 227 F HA 0.608 5.135 4.527 -0.001 0.000 0.335 227 F C -0.404 175.235 175.800 -0.269 0.000 1.130 227 F CA -0.866 56.962 58.000 -0.287 0.000 0.948 227 F CB 1.549 40.398 39.000 -0.251 0.000 1.154 227 F HN 0.290 nan 8.300 nan 0.000 0.439 228 F N 4.602 124.678 119.950 0.210 0.000 2.391 228 F HA 0.475 5.002 4.527 -0.001 0.000 0.359 228 F C 0.190 176.074 175.800 0.140 0.000 1.122 228 F CA -0.655 57.425 58.000 0.134 0.000 1.120 228 F CB 0.719 39.763 39.000 0.073 0.000 1.142 228 F HN 0.197 nan 8.300 nan 0.000 0.483 229 I N 3.722 124.447 120.570 0.259 0.000 2.330 229 I HA 0.306 4.476 4.170 -0.000 0.000 0.289 229 I C 0.358 176.575 176.117 0.166 0.000 1.001 229 I CA -0.305 61.094 61.300 0.165 0.000 1.193 229 I CB 1.368 39.378 38.000 0.017 0.000 1.345 229 I HN 0.653 nan 8.210 nan 0.000 0.461 230 T N 0.108 114.761 114.554 0.164 0.000 2.804 230 T HA 0.279 4.629 4.350 -0.000 0.000 0.272 230 T C 0.974 175.746 174.700 0.121 0.000 0.986 230 T CA -0.422 61.755 62.100 0.129 0.000 0.999 230 T CB 1.472 70.406 68.868 0.111 0.000 1.307 230 T HN 0.433 nan 8.240 nan 0.000 0.586 231 T N 1.135 115.748 114.554 0.099 0.000 2.904 231 T HA 0.007 4.357 4.350 -0.000 0.000 0.267 231 T C 1.538 176.298 174.700 0.100 0.000 1.059 231 T CA 0.981 63.136 62.100 0.092 0.000 1.137 231 T CB -0.311 68.601 68.868 0.073 0.000 0.879 231 T HN 0.591 nan 8.240 nan 0.000 0.467 232 N N 1.010 119.772 118.700 0.104 0.000 2.348 232 N HA 0.097 4.837 4.740 -0.000 0.000 0.183 232 N C -0.192 175.404 175.510 0.143 0.000 1.094 232 N CA 0.488 53.604 53.050 0.110 0.000 0.885 232 N CB 0.716 39.256 38.487 0.088 0.000 1.065 232 N HN 0.584 nan 8.380 nan 0.000 0.472 233 D N -0.552 119.944 120.400 0.161 0.000 2.851 233 D HA 0.308 4.948 4.640 -0.000 0.000 0.339 233 D C -1.152 175.288 176.300 0.233 0.000 1.347 233 D CA -0.611 53.512 54.000 0.204 0.000 0.888 233 D CB 1.165 42.069 40.800 0.174 0.000 1.431 233 D HN -0.102 nan 8.370 nan 0.000 0.509 234 I N -0.269 120.466 120.570 0.276 0.000 2.465 234 I HA 0.596 4.766 4.170 -0.000 0.000 0.291 234 I C -1.358 174.977 176.117 0.363 0.000 1.014 234 I CA -0.948 60.534 61.300 0.304 0.000 1.093 234 I CB 0.977 39.116 38.000 0.232 0.000 1.267 234 I HN 0.384 nan 8.210 nan 0.000 0.431 235 I N 8.123 128.935 120.570 0.402 0.000 2.465 235 I HA 0.503 4.673 4.170 -0.000 0.000 0.291 235 I C -0.937 175.438 176.117 0.430 0.000 1.014 235 I CA -0.551 60.927 61.300 0.297 0.000 1.093 235 I CB 1.524 39.657 38.000 0.222 0.000 1.267 235 I HN 0.504 nan 8.210 nan 0.000 0.431 236 F N 4.728 124.759 119.950 0.134 0.000 2.754 236 F HA 0.739 5.265 4.527 -0.001 0.000 0.320 236 F C -1.760 174.004 175.800 -0.059 0.000 1.156 236 F CA -1.405 56.588 58.000 -0.012 0.000 0.950 236 F CB 0.886 39.879 39.000 -0.011 0.000 1.388 236 F HN 0.177 nan 8.300 nan 0.000 0.485 237 L N 2.276 123.510 121.223 0.017 0.000 2.307 237 L HA 0.617 4.957 4.340 -0.000 0.000 0.284 237 L C -1.051 175.862 176.870 0.071 0.000 1.023 237 L CA -0.661 54.131 54.840 -0.080 0.000 0.810 237 L CB 1.412 43.377 42.059 -0.156 0.000 1.231 237 L HN 0.646 nan 8.230 nan 0.000 0.423 238 L N 5.127 126.378 121.223 0.046 0.000 2.292 238 L HA 0.422 4.761 4.340 -0.000 0.000 0.284 238 L C 0.092 177.025 176.870 0.106 0.000 1.065 238 L CA -0.571 54.349 54.840 0.132 0.000 0.806 238 L CB 0.850 42.991 42.059 0.137 0.000 1.175 238 L HN 0.568 nan 8.230 nan 0.000 0.431 239 K N 2.829 123.297 120.400 0.113 0.000 2.143 239 K HA 0.222 4.542 4.320 -0.000 0.000 0.272 239 K C -0.214 176.451 176.600 0.108 0.000 1.001 239 K CA -0.840 55.504 56.287 0.095 0.000 0.915 239 K CB 1.448 33.993 32.500 0.075 0.000 1.047 239 K HN 0.382 nan 8.250 nan 0.000 0.458 240 K N 1.552 122.011 120.400 0.097 0.000 2.511 240 K HA -0.064 4.256 4.320 -0.000 0.000 0.277 240 K C 0.309 176.968 176.600 0.097 0.000 1.025 240 K CA 1.206 57.549 56.287 0.094 0.000 1.112 240 K CB -0.185 32.360 32.500 0.075 0.000 0.859 240 K HN 0.824 nan 8.250 nan 0.000 0.485 241 G N 1.564 110.428 108.800 0.107 0.000 2.384 241 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.204 241 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.204 241 G C -1.040 173.947 174.900 0.145 0.000 1.237 241 G CA -0.454 44.715 45.100 0.116 0.000 1.060 241 G HN 0.565 nan 8.290 nan 0.000 0.514 242 V N 2.292 122.303 119.914 0.163 0.000 2.498 242 V HA 0.484 4.603 4.120 -0.000 0.000 0.279 242 V C 0.157 176.397 176.094 0.244 0.000 1.048 242 V CA -0.548 61.866 62.300 0.190 0.000 0.967 242 V CB 1.306 33.224 31.823 0.159 0.000 0.988 242 V HN 0.614 nan 8.190 nan 0.000 0.473 243 N N 2.942 121.787 118.700 0.242 0.000 2.314 243 N HA 0.344 5.083 4.740 -0.000 0.000 0.294 243 N C -1.655 174.019 175.510 0.274 0.000 1.029 243 N CA -0.473 52.737 53.050 0.268 0.000 0.845 243 N CB 2.648 41.270 38.487 0.226 0.000 1.321 243 N HN 0.711 nan 8.380 nan 0.000 0.481 244 Y N 2.867 123.267 120.300 0.167 0.000 2.345 244 Y HA 0.468 5.018 4.550 0.000 0.000 0.331 244 Y C -1.193 174.730 175.900 0.040 0.000 0.959 244 Y CA -0.946 57.175 58.100 0.034 0.000 1.204 244 Y CB 0.380 38.835 38.460 -0.008 0.000 1.135 244 Y HN 0.363 nan 8.280 nan 0.000 0.477 245 I N 6.036 126.235 120.570 -0.618 0.000 2.304 245 I HA 0.388 4.558 4.170 -0.000 0.000 0.291 245 I C -0.041 175.563 176.117 -0.854 0.000 1.018 245 I CA 0.039 60.930 61.300 -0.681 0.000 1.260 245 I CB 1.155 38.603 38.000 -0.921 0.000 1.390 245 I HN 0.633 nan 8.210 nan 0.000 0.475 246 S N 5.946 121.273 115.700 -0.622 0.000 2.638 246 S HA 0.942 5.412 4.470 -0.000 0.000 0.302 246 S C -1.002 173.450 174.600 -0.247 0.000 1.096 246 S CA -0.637 57.166 58.200 -0.662 0.000 0.953 246 S CB 1.977 64.898 63.200 -0.465 0.000 1.107 246 S HN 0.510 nan 8.310 nan 0.000 0.503 247 Y N -2.084 118.266 120.300 0.083 0.000 2.662 247 Y HA 0.534 5.083 4.550 -0.000 0.000 0.334 247 Y C 0.753 176.738 175.900 0.141 0.000 1.185 247 Y CA -1.296 56.903 58.100 0.164 0.000 1.074 247 Y CB 0.708 39.364 38.460 0.328 0.000 1.330 247 Y HN 0.653 nan 8.280 nan 0.000 0.458 248 K N 1.073 121.642 120.400 0.281 0.000 2.020 248 K HA -0.186 4.134 4.320 -0.000 0.000 0.212 248 K C -0.456 176.275 176.600 0.218 0.000 1.050 248 K CA 2.382 58.776 56.287 0.178 0.000 0.929 248 K CB -0.150 32.427 32.500 0.128 0.000 0.714 248 K HN 0.960 nan 8.250 nan 0.000 0.443 249 N N -3.231 115.662 118.700 0.321 0.000 3.116 249 N HA 0.129 4.868 4.740 -0.000 0.000 0.244 249 N C -0.446 175.176 175.510 0.185 0.000 1.485 249 N CA -0.835 52.388 53.050 0.288 0.000 0.884 249 N CB 0.574 39.124 38.487 0.106 0.000 1.415 249 N HN -0.194 nan 8.380 nan 0.000 0.524 250 R N -0.423 120.055 120.500 -0.038 0.000 2.189 250 R HA 0.229 4.569 4.340 -0.000 0.000 0.218 250 R C 1.166 177.017 176.300 -0.749 0.000 1.074 250 R CA 0.697 56.407 56.100 -0.649 0.000 0.991 250 R CB -0.526 29.500 30.300 -0.458 0.000 0.883 250 R HN 0.495 nan 8.270 nan 0.000 0.457 251 L N 1.003 122.028 121.223 -0.331 0.000 2.265 251 L HA -0.164 4.176 4.340 -0.000 0.000 0.215 251 L C 2.510 179.223 176.870 -0.262 0.000 1.117 251 L CA 1.054 55.736 54.840 -0.262 0.000 0.782 251 L CB -0.373 41.603 42.059 -0.139 0.000 0.914 251 L HN 0.323 nan 8.230 nan 0.000 0.441 252 M N -1.105 118.356 119.600 -0.231 0.000 2.296 252 M HA -0.136 4.344 4.480 -0.000 0.000 0.265 252 M C 1.457 177.661 176.300 -0.160 0.000 1.064 252 M CA 1.850 57.069 55.300 -0.135 0.000 1.109 252 M CB -0.422 32.166 32.600 -0.019 0.000 1.396 252 M HN 0.215 nan 8.290 nan 0.000 0.430 253 F N -2.170 117.537 119.950 -0.404 0.000 2.781 253 F HA 0.474 5.001 4.527 -0.001 0.000 0.322 253 F C -0.089 175.598 175.800 -0.187 0.000 1.108 253 F CA -1.016 56.728 58.000 -0.427 0.000 1.179 253 F CB -0.436 37.958 39.000 -1.010 0.000 1.072 253 F HN 0.148 nan 8.300 nan 0.000 0.545 254 H N 1.490 120.201 119.070 -0.599 0.000 2.974 254 H HA 0.390 4.945 4.556 -0.001 0.000 0.285 254 H C -0.779 174.383 175.328 -0.277 0.000 1.227 254 H CA -1.039 54.761 56.048 -0.414 0.000 1.569 254 H CB 0.687 30.104 29.762 -0.575 0.000 1.648 254 H HN 0.092 nan 8.280 nan 0.000 0.521 255 K N 2.944 123.108 120.400 -0.393 0.000 2.477 255 K HA -0.103 4.217 4.320 -0.000 0.000 0.275 255 K C -0.088 176.257 176.600 -0.426 0.000 1.054 255 K CA 0.641 56.733 56.287 -0.325 0.000 1.135 255 K CB 0.171 32.535 32.500 -0.227 0.000 0.854 255 K HN 0.694 nan 8.250 nan 0.000 0.484 256 D N 2.659 122.898 120.400 -0.270 0.000 2.877 256 D HA -0.159 4.480 4.640 -0.000 0.000 0.220 256 D C 0.717 176.886 176.300 -0.217 0.000 1.089 256 D CA 1.112 54.987 54.000 -0.208 0.000 0.811 256 D CB 0.284 41.008 40.800 -0.125 0.000 1.162 256 D HN 0.567 nan 8.370 nan 0.000 0.513 257 N N 1.837 120.428 118.700 -0.181 0.000 2.525 257 N HA 0.621 5.360 4.740 -0.000 0.000 0.270 257 N C 1.425 176.900 175.510 -0.058 0.000 1.324 257 N CA 0.256 53.236 53.050 -0.116 0.000 0.849 257 N CB -0.429 nan 38.487 nan 0.000 1.130 257 N HN 0.932 nan 8.380 nan 0.000 0.417 258 G N -3.184 105.603 108.800 -0.022 0.000 3.468 258 G HA2 0.066 4.026 3.960 -0.000 0.000 0.219 258 G HA3 0.066 4.026 3.960 -0.000 0.000 0.219 258 G C 0.854 175.752 174.900 -0.004 0.000 0.968 258 G CA 1.490 46.580 45.100 -0.016 0.000 0.851 258 G HN 1.682 nan 8.290 nan 0.000 0.524 259 S N -0.732 114.969 115.700 0.002 0.000 2.632 259 S HA 0.529 4.998 4.470 -0.000 0.000 0.237 259 S C 0.428 175.047 174.600 0.031 0.000 1.037 259 S CA 0.825 59.032 58.200 0.012 0.000 1.009 259 S CB 0.808 64.012 63.200 0.007 0.000 0.974 259 S HN 0.515 nan 8.310 nan 0.000 0.544 260 S N 3.635 119.367 115.700 0.052 0.000 2.312 260 S HA 0.390 4.860 4.470 -0.000 0.000 0.173 260 S C -2.396 172.301 174.600 0.161 0.000 1.488 260 S CA -0.786 57.483 58.200 0.115 0.000 1.239 260 S CB 1.759 65.074 63.200 0.191 0.000 1.215 260 S HN 0.296 nan 8.310 nan 0.000 0.438 261 P HA 0.033 nan 4.420 nan 0.000 0.242 261 P C 0.191 177.494 177.300 0.005 0.000 1.197 261 P CA 0.525 63.650 63.100 0.042 0.000 0.765 261 P CB -0.060 31.644 31.700 0.007 0.000 0.936 262 T N -3.750 110.770 114.554 -0.056 0.000 2.933 262 T HA 0.542 4.892 4.350 -0.000 0.000 0.305 262 T C -3.430 170.984 174.700 -0.476 0.000 1.092 262 T CA -2.520 59.456 62.100 -0.207 0.000 1.008 262 T CB 1.932 70.728 68.868 -0.120 0.000 1.102 262 T HN -0.296 nan 8.240 nan 0.000 0.469 263 P HA 0.354 nan 4.420 nan 0.000 0.275 263 P C -0.184 177.005 177.300 -0.185 0.000 1.227 263 P CA -0.153 62.596 63.100 -0.585 0.000 0.781 263 P CB 0.412 31.958 31.700 -0.257 0.000 0.906 264 T N 2.384 116.887 114.554 -0.085 0.000 2.910 264 T HA 0.465 4.814 4.350 -0.000 0.000 0.293 264 T C 0.167 174.887 174.700 0.032 0.000 1.015 264 T CA 0.069 62.163 62.100 -0.010 0.000 1.094 264 T CB -0.123 68.756 68.868 0.018 0.000 0.968 264 T HN 0.666 nan 8.240 nan 0.000 0.521 265 C N 0.353 119.660 119.300 0.012 0.000 3.318 265 C HA 1.031 5.490 4.460 -0.000 0.000 0.322 265 C C -0.081 174.907 174.990 -0.004 0.000 1.398 265 C CA -0.753 58.275 59.018 0.018 0.000 1.339 265 C CB 1.041 28.774 27.740 -0.011 0.000 1.668 265 C HN 1.103 nan 8.230 nan 0.000 0.462 266 G N 0.286 109.084 108.800 -0.004 0.000 2.718 266 G HA2 0.700 4.659 3.960 -0.000 0.000 0.295 266 G HA3 0.700 4.659 3.960 -0.000 0.000 0.295 266 G C -2.305 172.591 174.900 -0.006 0.000 1.421 266 G CA -0.694 44.403 45.100 -0.005 0.000 0.902 266 G HN 0.819 nan 8.290 nan 0.000 0.501 267 L N 0.889 122.126 121.223 0.023 0.000 2.342 267 L HA 0.535 4.875 4.340 -0.000 0.000 0.276 267 L C -0.356 176.560 176.870 0.077 0.000 0.997 267 L CA -0.261 54.608 54.840 0.048 0.000 0.838 267 L CB 1.596 43.709 42.059 0.089 0.000 1.224 267 L HN 0.360 nan 8.230 nan 0.000 0.416 268 L N 5.398 126.656 121.223 0.059 0.000 2.294 268 L HA 0.499 4.838 4.340 -0.000 0.000 0.283 268 L C -2.112 174.830 176.870 0.120 0.000 1.015 268 L CA -1.505 53.383 54.840 0.079 0.000 0.831 268 L CB 1.522 43.613 42.059 0.053 0.000 1.217 268 L HN 0.368 nan 8.230 nan 0.000 0.420 269 P HA 0.151 nan 4.420 nan 0.000 0.238 269 P C 0.280 177.620 177.300 0.068 0.000 1.794 269 P CA -0.057 63.104 63.100 0.101 0.000 1.088 269 P CB 0.499 32.234 31.700 0.057 0.000 1.923 270 L N 0.923 122.228 121.223 0.137 0.000 2.607 270 L HA 0.078 4.418 4.340 -0.000 0.000 0.228 270 L C 1.577 178.337 176.870 -0.184 0.000 1.123 270 L CA 0.061 54.941 54.840 0.067 0.000 0.890 270 L CB -0.072 42.109 42.059 0.203 0.000 1.103 270 L HN 0.267 nan 8.230 nan 0.000 0.468 271 S N -0.723 114.689 115.700 -0.481 0.000 2.713 271 S HA 0.106 4.575 4.470 -0.000 0.000 0.277 271 S C 1.075 175.479 174.600 -0.326 0.000 1.168 271 S CA -0.439 57.321 58.200 -0.734 0.000 0.994 271 S CB 0.688 63.235 63.200 -1.088 0.000 1.054 271 S HN 0.341 nan 8.310 nan 0.000 0.555 272 N N -0.263 118.275 118.700 -0.270 0.000 2.398 272 N HA -0.012 4.728 4.740 -0.000 0.000 0.188 272 N C -0.603 174.837 175.510 -0.118 0.000 1.122 272 N CA -0.047 52.913 53.050 -0.151 0.000 0.866 272 N CB -0.264 38.153 38.487 -0.116 0.000 0.970 272 N HN 0.523 nan 8.380 nan 0.000 0.462 273 K N 0.685 121.004 120.400 -0.134 0.000 2.268 273 K HA 0.242 4.562 4.320 -0.000 0.000 0.276 273 K C -0.751 175.811 176.600 -0.065 0.000 1.080 273 K CA -0.235 56.003 56.287 -0.081 0.000 0.910 273 K CB 1.424 33.885 32.500 -0.065 0.000 1.163 273 K HN -0.025 nan 8.250 nan 0.000 0.465 274 T N 2.777 117.300 114.554 -0.051 0.000 2.916 274 T HA 0.532 4.881 4.350 -0.000 0.000 0.305 274 T C -2.589 172.087 174.700 -0.040 0.000 1.119 274 T CA -1.553 60.520 62.100 -0.046 0.000 1.008 274 T CB 1.256 70.093 68.868 -0.053 0.000 1.129 274 T HN 0.257 nan 8.240 nan 0.000 0.480 275 P HA 0.649 nan 4.420 nan 0.000 0.280 275 P C -0.976 176.308 177.300 -0.026 0.000 1.272 275 P CA -0.739 62.331 63.100 -0.049 0.000 0.819 275 P CB 0.660 32.315 31.700 -0.075 0.000 1.122 276 I N 1.062 121.623 120.570 -0.015 0.000 2.404 276 I HA 0.298 4.468 4.170 -0.000 0.000 0.293 276 I C -0.285 175.854 176.117 0.037 0.000 0.992 276 I CA -0.916 60.398 61.300 0.025 0.000 1.149 276 I CB 1.217 39.251 38.000 0.056 0.000 1.315 276 I HN 0.057 nan 8.210 nan 0.000 0.446 277 I N 7.076 127.679 120.570 0.055 0.000 2.342 277 I HA 0.398 4.568 4.170 -0.000 0.000 0.291 277 I C -0.096 176.095 176.117 0.124 0.000 1.010 277 I CA -0.348 60.998 61.300 0.077 0.000 1.308 277 I CB 0.938 38.977 38.000 0.064 0.000 1.400 277 I HN 0.365 nan 8.210 nan 0.000 0.488 278 L N 6.669 127.998 121.223 0.177 0.000 2.354 278 L HA 0.551 4.890 4.340 -0.000 0.000 0.269 278 L C -0.244 176.707 176.870 0.135 0.000 1.005 278 L CA -0.629 54.318 54.840 0.179 0.000 0.819 278 L CB 1.969 44.170 42.059 0.236 0.000 1.311 278 L HN 0.501 nan 8.230 nan 0.000 0.423 279 N N 1.213 119.961 118.700 0.079 0.000 2.430 279 N HA 0.410 5.150 4.740 -0.000 0.000 0.290 279 N C -1.352 174.071 175.510 -0.146 0.000 1.063 279 N CA -0.328 52.696 53.050 -0.043 0.000 0.883 279 N CB 2.409 40.930 38.487 0.056 0.000 1.465 279 N HN 0.678 nan 8.380 nan 0.000 0.493 280 S N 1.198 116.678 115.700 -0.366 0.000 2.568 280 S HA 0.762 5.232 4.470 -0.000 0.000 0.293 280 S C -1.406 172.815 174.600 -0.632 0.000 1.089 280 S CA -0.604 57.433 58.200 -0.272 0.000 0.945 280 S CB 1.512 64.667 63.200 -0.074 0.000 1.077 280 S HN 0.390 nan 8.310 nan 0.000 0.485 281 Y N 0.025 120.414 120.300 0.149 0.000 2.315 281 Y HA 0.657 5.207 4.550 0.000 0.000 0.324 281 Y C 0.953 176.963 175.900 0.184 0.000 1.062 281 Y CA -0.211 57.961 58.100 0.121 0.000 1.159 281 Y CB 2.010 40.528 38.460 0.097 0.000 1.145 281 Y HN 1.259 nan 8.280 nan 0.000 0.442 282 G N 1.583 110.514 108.800 0.218 0.000 2.205 282 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.180 282 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.180 282 G C -0.480 174.462 174.900 0.070 0.000 1.004 282 G CA -0.660 44.571 45.100 0.217 0.000 0.670 282 G HN 0.488 nan 8.290 nan 0.000 0.496 283 L N 0.228 121.431 121.223 -0.033 0.000 2.360 283 L HA 0.537 4.877 4.340 -0.000 0.000 0.271 283 L C 1.758 178.542 176.870 -0.143 0.000 1.057 283 L CA -0.617 54.137 54.840 -0.145 0.000 0.803 283 L CB 1.296 43.252 42.059 -0.173 0.000 1.207 283 L HN 0.079 nan 8.230 nan 0.000 0.445 284 K N 1.496 121.783 120.400 -0.187 0.000 2.103 284 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 284 K C -0.072 176.166 176.600 -0.604 0.000 1.048 284 K CA 1.736 57.797 56.287 -0.377 0.000 0.930 284 K CB -0.089 32.163 32.500 -0.414 0.000 0.716 284 K HN 0.434 nan 8.250 nan 0.000 0.444 285 Y N 1.585 121.800 120.300 -0.142 0.000 2.919 285 Y HA 0.276 4.826 4.550 -0.000 0.000 0.341 285 Y C -0.747 175.016 175.900 -0.229 0.000 1.045 285 Y CA -1.396 56.596 58.100 -0.178 0.000 1.218 285 Y CB 0.543 38.880 38.460 -0.204 0.000 1.137 285 Y HN -0.088 nan 8.280 nan 0.000 0.577 286 D N 2.774 123.097 120.400 -0.128 0.000 2.389 286 D HA 0.214 4.854 4.640 -0.000 0.000 0.247 286 D C -0.095 176.080 176.300 -0.208 0.000 1.128 286 D CA 0.446 54.347 54.000 -0.164 0.000 0.884 286 D CB 0.923 41.632 40.800 -0.152 0.000 1.194 286 D HN 0.425 nan 8.370 nan 0.000 0.441 287 M N 2.478 121.934 119.600 -0.240 0.000 2.472 287 M HA 0.426 4.905 4.480 -0.000 0.000 0.331 287 M C 0.019 176.247 176.300 -0.120 0.000 1.170 287 M CA -0.680 54.489 55.300 -0.218 0.000 1.009 287 M CB 1.827 34.285 32.600 -0.235 0.000 1.672 287 M HN -0.136 nan 8.290 nan 0.000 0.453 288 R N 2.542 123.038 120.500 -0.006 0.000 2.483 288 R HA 0.340 4.679 4.340 -0.000 0.000 0.303 288 R C -0.693 175.681 176.300 0.123 0.000 0.987 288 R CA -0.591 55.524 56.100 0.024 0.000 0.881 288 R CB 0.965 31.273 30.300 0.014 0.000 1.177 288 R HN 0.841 nan 8.270 nan 0.000 0.451 289 N N 0.997 119.772 118.700 0.124 0.000 2.710 289 N HA -0.246 4.494 4.740 -0.000 0.000 0.249 289 N C -0.772 174.846 175.510 0.179 0.000 1.059 289 N CA 0.793 53.920 53.050 0.128 0.000 0.720 289 N CB -0.657 37.886 38.487 0.093 0.000 0.983 289 N HN 0.575 nan 8.380 nan 0.000 0.544 290 W N 2.047 123.349 121.300 0.004 0.000 2.332 290 W HA 0.248 4.908 4.660 -0.001 0.000 0.306 290 W C 0.299 176.824 176.519 0.009 0.000 1.149 290 W CA -0.414 56.934 57.345 0.004 0.000 1.271 290 W CB 0.542 30.002 29.460 0.000 0.000 1.243 290 W HN -0.106 nan 8.180 nan 0.000 0.459 291 K N 4.241 124.456 120.400 -0.308 0.000 2.312 291 K HA 0.263 4.582 4.320 -0.000 0.000 0.287 291 K C 0.046 176.334 176.600 -0.520 0.000 1.062 291 K CA -0.195 55.915 56.287 -0.294 0.000 0.934 291 K CB 1.307 33.667 32.500 -0.234 0.000 1.027 291 K HN 0.276 nan 8.250 nan 0.000 0.478 292 T N 2.864 117.257 114.554 -0.268 0.000 2.863 292 T HA 0.366 4.716 4.350 -0.000 0.000 0.285 292 T C -1.594 173.038 174.700 -0.112 0.000 1.009 292 T CA -0.624 61.332 62.100 -0.239 0.000 0.989 292 T CB 0.776 69.661 68.868 0.029 0.000 1.004 292 T HN 0.814 nan 8.240 nan 0.000 0.455 293 E N 3.705 123.843 120.200 -0.104 0.000 2.392 293 E HA 0.319 4.669 4.350 -0.000 0.000 0.281 293 E C -1.169 175.404 176.600 -0.045 0.000 1.088 293 E CA -1.112 55.252 56.400 -0.060 0.000 0.850 293 E CB 0.699 30.354 29.700 -0.075 0.000 1.267 293 E HN 0.342 nan 8.360 nan 0.000 0.438 294 M N 1.784 121.369 119.600 -0.025 0.000 2.248 294 M HA 0.200 4.679 4.480 -0.000 0.000 0.337 294 M C 0.349 176.633 176.300 -0.027 0.000 1.121 294 M CA 0.066 55.357 55.300 -0.014 0.000 1.155 294 M CB -0.152 32.445 32.600 -0.005 0.000 1.514 294 M HN 0.851 nan 8.290 nan 0.000 0.452 295 L N 0.674 121.884 121.223 -0.021 0.000 4.613 295 L HA -0.226 4.114 4.340 -0.000 0.000 0.409 295 L C 0.399 177.244 176.870 -0.042 0.000 1.100 295 L CA 1.327 56.151 54.840 -0.027 0.000 1.029 295 L CB -2.040 40.002 42.059 -0.028 0.000 2.137 295 L HN 1.006 nan 8.230 nan 0.000 0.713 296 G N -1.775 106.994 108.800 -0.052 0.000 3.003 296 G HA2 0.609 4.568 3.960 -0.000 0.000 0.243 296 G HA3 0.609 4.568 3.960 -0.000 0.000 0.243 296 G C -0.999 173.851 174.900 -0.083 0.000 1.176 296 G CA -0.056 44.993 45.100 -0.084 0.000 0.812 296 G HN 0.232 nan 8.290 nan 0.000 0.584 297 Q N -0.238 119.463 119.800 -0.164 0.000 2.261 297 Q HA 0.662 5.002 4.340 -0.000 0.000 0.252 297 Q C -1.218 174.759 176.000 -0.039 0.000 0.915 297 Q CA -0.559 55.170 55.803 -0.123 0.000 0.915 297 Q CB 2.412 30.968 28.738 -0.303 0.000 1.204 297 Q HN 0.188 nan 8.270 nan 0.000 0.421 298 V N 1.799 121.823 119.914 0.183 0.000 2.577 298 V HA 0.231 4.351 4.120 -0.000 0.000 0.303 298 V C -0.468 175.816 176.094 0.316 0.000 1.042 298 V CA -0.793 61.651 62.300 0.241 0.000 0.872 298 V CB 2.025 33.917 31.823 0.115 0.000 0.998 298 V HN 0.914 nan 8.190 nan 0.000 0.423 299 S N 3.987 119.882 115.700 0.324 0.000 2.405 299 S HA 0.489 4.959 4.470 -0.000 0.000 0.291 299 S C 0.155 174.767 174.600 0.020 0.000 1.137 299 S CA -0.203 58.035 58.200 0.063 0.000 1.061 299 S CB -0.111 63.025 63.200 -0.107 0.000 1.001 299 S HN 1.039 nan 8.310 nan 0.000 0.507 300 S N 3.475 119.167 115.700 -0.014 0.000 2.599 300 S HA 0.693 5.163 4.470 -0.000 0.000 0.294 300 S C 0.191 174.755 174.600 -0.060 0.000 1.094 300 S CA -0.570 57.619 58.200 -0.018 0.000 0.931 300 S CB 1.318 64.520 63.200 0.003 0.000 1.093 300 S HN 0.880 nan 8.310 nan 0.000 0.488 301 S N 0.476 116.153 115.700 -0.038 0.000 3.561 301 S HA -0.152 4.318 4.470 -0.000 0.000 0.318 301 S C 0.176 174.747 174.600 -0.048 0.000 1.181 301 S CA 0.807 58.981 58.200 -0.043 0.000 0.916 301 S CB -1.913 61.247 63.200 -0.065 0.000 0.966 301 S HN 0.847 nan 8.310 nan 0.000 0.550 302 N N 1.600 120.282 118.700 -0.030 0.000 2.379 302 N HA 0.425 5.165 4.740 -0.000 0.000 0.260 302 N C 0.276 175.819 175.510 0.055 0.000 1.254 302 N CA -0.103 52.973 53.050 0.044 0.000 0.958 302 N CB 0.529 39.005 38.487 -0.019 0.000 1.208 302 N HN 0.263 nan 8.380 nan 0.000 0.532 303 R N 0.445 120.981 120.500 0.059 0.000 2.836 303 R HA 0.497 4.837 4.340 -0.000 0.000 0.269 303 R C -0.634 175.601 176.300 -0.109 0.000 1.010 303 R CA -0.702 55.380 56.100 -0.030 0.000 0.930 303 R CB 0.624 30.911 30.300 -0.022 0.000 1.218 303 R HN 0.511 nan 8.270 nan 0.000 0.473 304 I N 1.098 121.599 120.570 -0.114 0.000 2.312 304 I HA 0.161 4.331 4.170 -0.000 0.000 0.290 304 I C 0.748 176.850 176.117 -0.025 0.000 1.008 304 I CA -0.000 61.235 61.300 -0.108 0.000 1.226 304 I CB 1.683 39.681 38.000 -0.003 0.000 1.371 304 I HN 0.537 nan 8.210 nan 0.000 0.468 305 S N 3.757 119.454 115.700 -0.005 0.000 2.483 305 S HA 0.069 4.539 4.470 -0.000 0.000 0.221 305 S C 1.227 175.899 174.600 0.120 0.000 1.030 305 S CA -0.010 58.205 58.200 0.025 0.000 0.925 305 S CB 0.310 63.500 63.200 -0.018 0.000 0.795 305 S HN 0.826 nan 8.310 nan 0.000 0.511 306 G N 1.718 110.650 108.800 0.221 0.000 2.299 306 G HA2 0.102 4.062 3.960 -0.000 0.000 0.256 306 G HA3 0.102 4.062 3.960 -0.000 0.000 0.256 306 G C 0.409 175.522 174.900 0.355 0.000 1.259 306 G CA -0.223 45.057 45.100 0.300 0.000 0.943 306 G HN 0.388 nan 8.290 nan 0.000 0.479 307 E N 1.287 121.630 120.200 0.238 0.000 2.150 307 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 307 E C 2.177 178.963 176.600 0.311 0.000 0.985 307 E CA 1.604 58.150 56.400 0.244 0.000 0.814 307 E CB 0.169 29.949 29.700 0.134 0.000 0.752 307 E HN 0.675 nan 8.360 nan 0.000 0.466 308 T N -2.754 111.874 114.554 0.123 0.000 3.040 308 T HA 0.458 4.808 4.350 -0.000 0.000 0.266 308 T C 0.440 174.779 174.700 -0.600 0.000 1.005 308 T CA 0.049 62.078 62.100 -0.118 0.000 0.906 308 T CB 1.267 70.129 68.868 -0.010 0.000 1.082 308 T HN 0.211 nan 8.240 nan 0.000 0.531 309 G N 1.198 109.726 108.800 -0.454 0.000 2.352 309 G HA2 0.432 4.392 3.960 -0.000 0.000 0.302 309 G HA3 0.432 4.392 3.960 -0.000 0.000 0.302 309 G C -1.699 173.315 174.900 0.191 0.000 1.370 309 G CA -0.650 44.163 45.100 -0.478 0.000 0.918 309 G HN 0.699 nan 8.290 nan 0.000 0.610 310 F N -1.628 118.399 119.950 0.128 0.000 2.662 310 F HA 0.884 5.411 4.527 -0.001 0.000 0.312 310 F C -1.041 174.943 175.800 0.307 0.000 1.113 310 F CA -1.676 56.474 58.000 0.250 0.000 0.951 310 F CB 1.335 40.487 39.000 0.254 0.000 1.344 310 F HN 0.510 nan 8.300 nan 0.000 0.462 311 I N 2.232 123.111 120.570 0.515 0.000 2.474 311 I HA 0.652 4.821 4.170 -0.000 0.000 0.294 311 I C -1.200 175.205 176.117 0.480 0.000 1.005 311 I CA -1.264 60.287 61.300 0.420 0.000 1.113 311 I CB 2.146 40.365 38.000 0.365 0.000 1.289 311 I HN 0.495 nan 8.210 nan 0.000 0.436 312 V N 5.103 125.241 119.914 0.372 0.000 2.569 312 V HA 0.323 4.442 4.120 -0.000 0.000 0.301 312 V C -0.451 175.797 176.094 0.256 0.000 1.044 312 V CA -0.640 61.852 62.300 0.320 0.000 0.874 312 V CB 1.863 33.894 31.823 0.346 0.000 1.002 312 V HN 0.753 nan 8.190 nan 0.000 0.424 313 E N 4.067 124.404 120.200 0.229 0.000 2.166 313 E HA 0.679 5.028 4.350 -0.000 0.000 0.275 313 E C -0.822 175.876 176.600 0.163 0.000 0.941 313 E CA -0.473 56.045 56.400 0.197 0.000 0.784 313 E CB 1.619 31.444 29.700 0.208 0.000 1.115 313 E HN 0.935 nan 8.360 nan 0.000 0.399 314 C N 2.086 121.474 119.300 0.147 0.000 2.698 314 C HA 0.496 4.955 4.460 -0.000 0.000 0.309 314 C C 1.361 176.416 174.990 0.109 0.000 1.186 314 C CA -0.261 58.835 59.018 0.131 0.000 1.474 314 C CB 0.947 28.769 27.740 0.137 0.000 2.020 314 C HN 0.785 nan 8.230 nan 0.000 0.474 315 S N -0.076 115.680 115.700 0.093 0.000 2.515 315 S HA 0.114 4.584 4.470 -0.000 0.000 0.231 315 S C 0.152 174.792 174.600 0.066 0.000 0.987 315 S CA 1.004 59.248 58.200 0.072 0.000 0.936 315 S CB -0.393 62.841 63.200 0.056 0.000 0.766 315 S HN 0.918 nan 8.310 nan 0.000 0.528 316 D N 0.023 120.470 120.400 0.080 0.000 2.694 316 D HA 0.215 4.855 4.640 -0.000 0.000 0.260 316 D C -1.886 174.483 176.300 0.116 0.000 1.250 316 D CA -0.546 53.502 54.000 0.080 0.000 0.763 316 D CB 1.636 42.469 40.800 0.055 0.000 1.311 316 D HN -0.058 nan 8.370 nan 0.000 0.420 317 D N 1.023 121.507 120.400 0.140 0.000 2.506 317 D HA 0.232 4.871 4.640 -0.000 0.000 0.234 317 D C 0.020 176.487 176.300 0.278 0.000 1.143 317 D CA 0.786 54.904 54.000 0.196 0.000 0.871 317 D CB 0.688 41.642 40.800 0.256 0.000 1.190 317 D HN 0.272 nan 8.370 nan 0.000 0.459 318 I N 0.803 121.495 120.570 0.204 0.000 2.752 318 I HA 0.183 4.353 4.170 -0.000 0.000 0.295 318 I C -1.081 175.057 176.117 0.034 0.000 1.219 318 I CA -0.877 60.543 61.300 0.201 0.000 1.030 318 I CB 1.826 39.918 38.000 0.153 0.000 1.259 318 I HN -0.009 nan 8.210 nan 0.000 0.423 319 V N 7.165 127.077 119.914 -0.004 0.000 2.686 319 V HA 0.318 4.438 4.120 -0.000 0.000 0.295 319 V C 0.113 176.112 176.094 -0.159 0.000 1.055 319 V CA -0.023 62.185 62.300 -0.153 0.000 1.050 319 V CB 1.335 33.083 31.823 -0.126 0.000 0.984 319 V HN 0.709 nan 8.190 nan 0.000 0.482 320 M N 6.179 125.561 119.600 -0.363 0.000 2.393 320 M HA 0.525 5.004 4.480 -0.000 0.000 0.299 320 M C -1.091 174.912 176.300 -0.496 0.000 1.103 320 M CA -0.546 54.507 55.300 -0.411 0.000 0.910 320 M CB 1.820 34.123 32.600 -0.495 0.000 1.659 320 M HN 0.823 nan 8.290 nan 0.000 0.445 321 N N 5.588 124.171 118.700 -0.194 0.000 2.269 321 N HA 0.587 5.327 4.740 -0.000 0.000 0.304 321 N C -1.831 173.720 175.510 0.067 0.000 1.072 321 N CA -0.517 52.506 53.050 -0.045 0.000 0.802 321 N CB 2.101 40.596 38.487 0.013 0.000 1.348 321 N HN 0.783 nan 8.380 nan 0.000 0.484 322 I N 0.369 121.058 120.570 0.198 0.000 2.499 322 I HA 0.189 4.359 4.170 -0.000 0.000 0.288 322 I C 0.206 176.481 176.117 0.264 0.000 1.048 322 I CA -0.776 60.677 61.300 0.256 0.000 1.062 322 I CB 2.316 40.549 38.000 0.387 0.000 1.238 322 I HN 0.600 nan 8.210 nan 0.000 0.426 323 E N 6.488 126.820 120.200 0.219 0.000 2.392 323 E HA 0.357 4.707 4.350 -0.000 0.000 0.264 323 E C -1.156 175.624 176.600 0.301 0.000 1.024 323 E CA -0.055 56.474 56.400 0.215 0.000 0.903 323 E CB 0.943 30.735 29.700 0.154 0.000 0.963 323 E HN 0.421 nan 8.360 nan 0.000 0.432 324 I N 3.905 124.639 120.570 0.273 0.000 2.509 324 I HA 0.372 4.541 4.170 -0.000 0.000 0.293 324 I C -0.878 175.355 176.117 0.194 0.000 1.020 324 I CA -0.621 60.852 61.300 0.288 0.000 1.088 324 I CB 1.750 39.935 38.000 0.309 0.000 1.267 324 I HN 0.673 nan 8.210 nan 0.000 0.430 325 D N 0.000 120.489 120.400 0.148 0.000 6.856 325 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 325 D CA 0.000 54.042 54.000 0.069 0.000 0.868 325 D CB 0.000 40.844 40.800 0.073 0.000 0.688 325 D HN 0.000 nan 8.370 nan 0.000 0.683