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 1vf7_1_K DATA FIRST_RESID 27 DATA SEQUENCE LNTELPGRTN AFRIAEVRPQ VNGIILKRLF KEGSDVKAGQ QLYQIDPATY DATA SEQUENCE EADYQSAQAN LASTQEQAQR YKLLVADQAV SKQQYADANA AYLQSKAAVE DATA SEQUENCE QARINLRYTK VLSPISGRIG RSAVTEGALV TNGQANAMAT VQQLDPIYVD DATA SEQUENCE VTQPSTALLR LRRELASGQL ERAGDNAAKV SLKLEDGSQY PLEGRLEFSE DATA SEQUENCE VSVDEGTGSV TIRAVFPNPN NELLPGMFVH AQ 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 27 L HA 0.000 nan 4.340 nan 0.000 0.249 27 L C 0.000 176.895 176.870 0.042 0.000 1.165 27 L CA 0.000 54.858 54.840 0.030 0.000 0.813 27 L CB 0.000 42.077 42.059 0.029 0.000 0.961 28 N N -0.766 117.958 118.700 0.041 0.000 2.357 28 N HA 0.746 5.486 4.740 -0.000 0.000 0.284 28 N C -1.012 174.529 175.510 0.051 0.000 1.236 28 N CA -0.239 52.842 53.050 0.051 0.000 0.774 28 N CB 2.958 41.474 38.487 0.048 0.000 1.534 28 N HN -0.079 nan 8.380 nan 0.000 0.478 29 T N -0.446 114.147 114.554 0.065 0.000 2.864 29 T HA 0.306 4.656 4.350 -0.000 0.000 0.299 29 T C -1.187 173.559 174.700 0.077 0.000 1.166 29 T CA -0.736 61.402 62.100 0.064 0.000 1.007 29 T CB 2.049 70.960 68.868 0.072 0.000 1.219 29 T HN 0.397 nan 8.240 nan 0.000 0.506 30 E N 1.817 122.060 120.200 0.071 0.000 2.115 30 E HA 0.366 4.716 4.350 -0.000 0.000 0.282 30 E C -0.917 175.794 176.600 0.186 0.000 0.987 30 E CA -0.298 56.163 56.400 0.101 0.000 0.797 30 E CB 1.358 31.049 29.700 -0.016 0.000 1.086 30 E HN 0.414 nan 8.360 nan 0.000 0.397 31 L N 6.041 127.401 121.223 0.228 0.000 2.280 31 L HA 0.312 4.652 4.340 -0.000 0.000 0.287 31 L C -2.160 174.799 176.870 0.148 0.000 1.023 31 L CA -2.048 52.898 54.840 0.178 0.000 0.819 31 L CB 1.582 43.717 42.059 0.127 0.000 1.212 31 L HN 0.145 nan 8.230 nan 0.000 0.420 32 P HA 0.246 nan 4.420 nan 0.000 0.282 32 P C -0.378 176.877 177.300 -0.076 0.000 1.274 32 P CA 0.039 63.072 63.100 -0.111 0.000 0.770 32 P CB 1.503 33.203 31.700 -0.001 0.000 0.867 33 G N 3.010 111.731 108.800 -0.131 0.000 2.708 33 G HA2 0.635 4.595 3.960 -0.000 0.000 0.289 33 G HA3 0.635 4.595 3.960 -0.000 0.000 0.289 33 G C -1.315 173.505 174.900 -0.133 0.000 1.416 33 G CA -0.630 44.417 45.100 -0.088 0.000 0.829 33 G HN 0.243 nan 8.290 nan 0.000 0.480 34 R N 0.597 121.015 120.500 -0.137 0.000 2.561 34 R HA 0.510 4.850 4.340 -0.000 0.000 0.297 34 R C 0.070 176.291 176.300 -0.132 0.000 0.969 34 R CA -0.628 55.346 56.100 -0.209 0.000 0.879 34 R CB 1.255 31.401 30.300 -0.256 0.000 1.178 34 R HN 0.855 nan 8.270 nan 0.000 0.445 35 T N 0.403 114.871 114.554 -0.143 0.000 2.916 35 T HA 0.326 4.676 4.350 -0.000 0.000 0.303 35 T C 0.198 174.871 174.700 -0.046 0.000 1.025 35 T CA -0.428 61.624 62.100 -0.081 0.000 1.142 35 T CB 0.522 69.322 68.868 -0.114 0.000 0.947 35 T HN 0.311 nan 8.240 nan 0.000 0.544 36 N N 0.142 118.863 118.700 0.035 0.000 2.262 36 N HA 0.631 5.371 4.740 -0.000 0.000 0.295 36 N C -0.700 174.859 175.510 0.080 0.000 1.161 36 N CA -0.600 52.490 53.050 0.066 0.000 0.767 36 N CB 1.775 40.341 38.487 0.132 0.000 1.499 36 N HN 1.013 nan 8.380 nan 0.000 0.476 37 A N 0.604 123.453 122.820 0.049 0.000 2.462 37 A HA 0.133 4.453 4.320 -0.000 0.000 0.243 37 A C 0.594 178.188 177.584 0.017 0.000 1.076 37 A CA -0.003 52.050 52.037 0.028 0.000 0.773 37 A CB -0.283 18.724 19.000 0.010 0.000 1.010 37 A HN 0.778 nan 8.150 nan 0.000 0.493 38 F N 1.298 121.095 119.950 -0.255 0.000 2.259 38 F HA 0.125 4.652 4.527 -0.000 0.000 0.298 38 F C 1.178 176.848 175.800 -0.216 0.000 1.088 38 F CA 1.414 59.113 58.000 -0.502 0.000 1.358 38 F CB 0.080 38.806 39.000 -0.457 0.000 1.040 38 F HN 0.587 nan 8.300 nan 0.000 0.505 39 R N 0.025 120.472 120.500 -0.089 0.000 2.604 39 R HA 0.493 4.833 4.340 -0.000 0.000 0.270 39 R C -1.840 174.436 176.300 -0.039 0.000 1.052 39 R CA -0.631 55.408 56.100 -0.102 0.000 0.902 39 R CB 1.935 32.188 30.300 -0.077 0.000 1.233 39 R HN -0.022 nan 8.270 nan 0.000 0.455 40 I N 2.088 122.633 120.570 -0.042 0.000 2.499 40 I HA 0.536 4.706 4.170 -0.000 0.000 0.288 40 I C -0.626 175.471 176.117 -0.032 0.000 1.048 40 I CA -0.738 60.544 61.300 -0.030 0.000 1.062 40 I CB 2.155 40.142 38.000 -0.022 0.000 1.238 40 I HN 0.624 nan 8.210 nan 0.000 0.426 41 A N 5.278 128.079 122.820 -0.032 0.000 2.371 41 A HA 0.656 4.976 4.320 -0.000 0.000 0.311 41 A C -0.773 176.793 177.584 -0.029 0.000 1.068 41 A CA -0.600 51.418 52.037 -0.032 0.000 0.744 41 A CB 1.241 20.221 19.000 -0.033 0.000 1.239 41 A HN 0.720 nan 8.150 nan 0.000 0.435 42 E N 0.751 120.937 120.200 -0.025 0.000 2.283 42 E HA 0.429 4.779 4.350 -0.000 0.000 0.278 42 E C -0.942 175.649 176.600 -0.015 0.000 1.027 42 E CA -0.488 55.900 56.400 -0.019 0.000 0.843 42 E CB 1.754 31.442 29.700 -0.020 0.000 1.062 42 E HN 0.370 nan 8.360 nan 0.000 0.401 43 V N 4.661 124.576 119.914 0.002 0.000 2.350 43 V HA 0.351 4.471 4.120 -0.000 0.000 0.276 43 V C 0.072 176.168 176.094 0.004 0.000 1.028 43 V CA -0.360 61.955 62.300 0.025 0.000 0.860 43 V CB 0.696 32.575 31.823 0.094 0.000 0.990 43 V HN 0.584 nan 8.190 nan 0.000 0.453 44 R N 5.458 125.938 120.500 -0.033 0.000 2.744 44 R HA 0.557 4.897 4.340 -0.000 0.000 0.279 44 R C -2.828 173.403 176.300 -0.115 0.000 0.977 44 R CA -1.728 54.326 56.100 -0.077 0.000 0.906 44 R CB 2.967 33.219 30.300 -0.079 0.000 1.197 44 R HN 0.451 nan 8.270 nan 0.000 0.463 45 P HA 0.160 nan 4.420 nan 0.000 0.284 45 P C -0.932 176.241 177.300 -0.212 0.000 1.253 45 P CA -0.354 62.650 63.100 -0.161 0.000 0.800 45 P CB 1.338 32.951 31.700 -0.144 0.000 0.961 46 Q N 0.592 120.200 119.800 -0.320 0.000 2.155 46 Q HA 0.363 4.703 4.340 -0.000 0.000 0.220 46 Q C -0.288 175.517 176.000 -0.325 0.000 0.819 46 Q CA -0.166 55.354 55.803 -0.473 0.000 1.032 46 Q CB 1.263 29.370 28.738 -1.051 0.000 1.151 46 Q HN 0.214 nan 8.270 nan 0.000 0.487 47 V N 1.011 120.818 119.914 -0.178 0.000 2.891 47 V HA 0.270 4.390 4.120 -0.000 0.000 0.304 47 V C -1.395 174.687 176.094 -0.020 0.000 1.171 47 V CA -1.023 61.220 62.300 -0.094 0.000 0.943 47 V CB 2.251 33.950 31.823 -0.207 0.000 1.037 47 V HN 0.245 nan 8.190 nan 0.000 0.427 48 N N 3.462 122.208 118.700 0.076 0.000 2.412 48 N HA 0.589 5.329 4.740 -0.000 0.000 0.254 48 N C 0.325 175.946 175.510 0.184 0.000 1.232 48 N CA 1.213 54.328 53.050 0.109 0.000 0.880 48 N CB 1.278 39.837 38.487 0.121 0.000 1.076 48 N HN 1.187 nan 8.380 nan 0.000 0.458 49 G N 0.170 109.035 108.800 0.109 0.000 2.336 49 G HA2 0.227 4.186 3.960 -0.000 0.000 0.286 49 G HA3 0.227 4.186 3.960 -0.000 0.000 0.286 49 G C -1.720 173.216 174.900 0.060 0.000 1.269 49 G CA -0.694 44.481 45.100 0.125 0.000 0.873 49 G HN 0.325 nan 8.290 nan 0.000 0.494 50 I N 0.798 121.405 120.570 0.062 0.000 2.441 50 I HA 0.432 4.602 4.170 -0.000 0.000 0.295 50 I C 0.005 176.145 176.117 0.039 0.000 0.994 50 I CA -0.684 60.637 61.300 0.035 0.000 1.144 50 I CB 1.407 39.426 38.000 0.032 0.000 1.314 50 I HN 0.374 nan 8.210 nan 0.000 0.445 51 I N 6.021 126.604 120.570 0.021 0.000 2.581 51 I HA -0.086 4.083 4.170 -0.000 0.000 0.285 51 I C 1.148 177.300 176.117 0.058 0.000 1.129 51 I CA 0.289 61.615 61.300 0.044 0.000 1.397 51 I CB 0.472 38.495 38.000 0.038 0.000 1.399 51 I HN 0.472 nan 8.210 nan 0.000 0.537 52 L N 6.551 127.818 121.223 0.072 0.000 2.168 52 L HA 0.227 4.567 4.340 -0.000 0.000 0.203 52 L C 0.527 177.432 176.870 0.057 0.000 1.078 52 L CA 1.621 56.496 54.840 0.059 0.000 0.780 52 L CB -0.185 41.910 42.059 0.060 0.000 0.939 52 L HN 0.412 nan 8.230 nan 0.000 0.451 53 K N -1.402 119.047 120.400 0.081 0.000 2.498 53 K HA 0.283 4.603 4.320 -0.000 0.000 0.254 53 K C 0.253 176.896 176.600 0.072 0.000 0.933 53 K CA -0.462 55.856 56.287 0.053 0.000 0.806 53 K CB 2.587 35.106 32.500 0.032 0.000 1.301 53 K HN -0.189 nan 8.250 nan 0.000 0.432 54 R N 1.767 122.240 120.500 -0.045 0.000 2.064 54 R HA 0.153 4.493 4.340 -0.000 0.000 0.221 54 R C 0.609 176.706 176.300 -0.338 0.000 1.136 54 R CA 1.292 57.232 56.100 -0.266 0.000 0.980 54 R CB 0.084 30.122 30.300 -0.437 0.000 0.876 54 R HN 0.661 nan 8.270 nan 0.000 0.437 55 L N -1.128 119.965 121.223 -0.216 0.000 5.081 55 L HA -0.243 4.097 4.340 -0.000 0.000 0.423 55 L C -0.719 176.142 176.870 -0.016 0.000 1.019 55 L CA 0.566 55.350 54.840 -0.093 0.000 1.223 55 L CB -2.031 40.017 42.059 -0.018 0.000 1.940 55 L HN 0.293 nan 8.230 nan 0.000 0.675 56 F N -0.879 118.975 119.950 -0.160 0.000 2.588 56 F HA 0.693 5.220 4.527 -0.000 0.000 0.310 56 F C 0.080 175.822 175.800 -0.096 0.000 1.082 56 F CA -1.551 56.372 58.000 -0.128 0.000 0.929 56 F CB 1.215 40.120 39.000 -0.157 0.000 1.254 56 F HN -0.115 nan 8.300 nan 0.000 0.455 57 K N 2.516 122.993 120.400 0.128 0.000 2.368 57 K HA 0.136 4.456 4.320 -0.000 0.000 0.282 57 K C -0.301 176.439 176.600 0.234 0.000 1.035 57 K CA -0.157 56.176 56.287 0.077 0.000 0.973 57 K CB 0.537 33.070 32.500 0.056 0.000 0.957 57 K HN 0.836 nan 8.250 nan 0.000 0.474 58 E N 2.233 122.512 120.200 0.130 0.000 2.414 58 E HA 0.047 4.397 4.350 -0.000 0.000 0.263 58 E C 0.176 176.853 176.600 0.128 0.000 1.000 58 E CA 0.658 57.175 56.400 0.195 0.000 0.914 58 E CB 0.432 30.191 29.700 0.100 0.000 0.948 58 E HN 0.887 nan 8.360 nan 0.000 0.444 59 G N 2.502 111.371 108.800 0.115 0.000 2.422 59 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.290 59 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.290 59 G C -0.094 174.834 174.900 0.047 0.000 1.059 59 G CA 0.464 45.598 45.100 0.058 0.000 1.242 59 G HN 0.627 nan 8.290 nan 0.000 0.520 60 S N -0.788 114.934 115.700 0.037 0.000 2.688 60 S HA 0.764 5.234 4.470 -0.000 0.000 0.275 60 S C -1.164 173.429 174.600 -0.011 0.000 1.175 60 S CA -0.785 57.430 58.200 0.025 0.000 0.818 60 S CB 2.365 65.598 63.200 0.055 0.000 1.157 60 S HN 0.180 nan 8.310 nan 0.000 0.482 61 D N 1.149 121.543 120.400 -0.011 0.000 2.168 61 D HA 0.589 5.229 4.640 -0.000 0.000 0.246 61 D C -0.173 176.105 176.300 -0.038 0.000 1.050 61 D CA -0.177 53.806 54.000 -0.028 0.000 0.857 61 D CB 1.858 42.647 40.800 -0.018 0.000 1.169 61 D HN 0.735 nan 8.370 nan 0.000 0.453 62 V N -1.048 118.829 119.914 -0.061 0.000 3.078 62 V HA 0.640 4.759 4.120 -0.000 0.000 0.311 62 V C -0.697 175.363 176.094 -0.056 0.000 1.138 62 V CA -1.018 61.239 62.300 -0.072 0.000 1.007 62 V CB 2.353 34.089 31.823 -0.144 0.000 1.045 62 V HN 0.282 nan 8.190 nan 0.000 0.432 63 K N 1.803 122.177 120.400 -0.044 0.000 2.203 63 K HA 0.827 5.147 4.320 -0.000 0.000 0.251 63 K C 0.023 176.605 176.600 -0.030 0.000 0.944 63 K CA -0.233 56.036 56.287 -0.030 0.000 0.829 63 K CB 2.009 34.498 32.500 -0.019 0.000 1.125 63 K HN 1.220 nan 8.250 nan 0.000 0.430 64 A N 1.200 124.007 122.820 -0.021 0.000 2.584 64 A HA 0.291 4.611 4.320 -0.000 0.000 0.239 64 A C 1.266 178.843 177.584 -0.012 0.000 1.043 64 A CA 1.257 53.284 52.037 -0.016 0.000 0.756 64 A CB -1.095 17.900 19.000 -0.009 0.000 0.963 64 A HN 0.989 nan 8.150 nan 0.000 0.511 65 G N 0.877 109.671 108.800 -0.009 0.000 2.179 65 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.260 65 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.260 65 G C 0.377 175.276 174.900 -0.001 0.000 0.977 65 G CA 0.637 45.736 45.100 -0.001 0.000 0.641 65 G HN 1.206 nan 8.290 nan 0.000 0.533 66 Q N 0.371 120.165 119.800 -0.011 0.000 2.352 66 Q HA 0.368 4.708 4.340 -0.000 0.000 0.260 66 Q C 0.474 176.475 176.000 0.001 0.000 0.976 66 Q CA -0.225 55.572 55.803 -0.009 0.000 0.881 66 Q CB 0.351 29.075 28.738 -0.024 0.000 1.235 66 Q HN 0.482 nan 8.270 nan 0.000 0.419 67 Q N 3.884 123.695 119.800 0.017 0.000 2.296 67 Q HA 0.070 4.410 4.340 -0.000 0.000 0.263 67 Q C 0.102 176.130 176.000 0.046 0.000 1.026 67 Q CA -0.041 55.786 55.803 0.041 0.000 0.912 67 Q CB 0.544 29.309 28.738 0.046 0.000 1.198 67 Q HN 0.804 nan 8.270 nan 0.000 0.407 68 L N 4.068 125.326 121.223 0.058 0.000 2.416 68 L HA 0.166 4.506 4.340 -0.000 0.000 0.216 68 L C -0.354 176.446 176.870 -0.116 0.000 1.098 68 L CA 0.288 55.142 54.840 0.024 0.000 0.840 68 L CB 0.299 42.303 42.059 -0.091 0.000 0.981 68 L HN 0.608 nan 8.230 nan 0.000 0.462 69 Y N -1.293 119.100 120.300 0.154 0.000 2.519 69 Y HA 0.398 4.948 4.550 -0.000 0.000 0.336 69 Y C -0.532 175.405 175.900 0.063 0.000 1.089 69 Y CA -1.101 57.062 58.100 0.105 0.000 1.025 69 Y CB 1.639 40.160 38.460 0.102 0.000 1.318 69 Y HN -0.232 nan 8.280 nan 0.000 0.452 70 Q N 2.960 122.891 119.800 0.218 0.000 2.372 70 Q HA 0.514 4.853 4.340 -0.000 0.000 0.259 70 Q C -1.307 174.768 176.000 0.125 0.000 0.993 70 Q CA -0.134 55.751 55.803 0.136 0.000 0.854 70 Q CB 0.655 29.448 28.738 0.092 0.000 1.231 70 Q HN 0.629 nan 8.270 nan 0.000 0.462 71 I N 2.674 123.305 120.570 0.101 0.000 2.529 71 I HA 0.057 4.227 4.170 -0.000 0.000 0.284 71 I C 0.464 176.646 176.117 0.108 0.000 1.082 71 I CA -0.391 60.960 61.300 0.084 0.000 1.406 71 I CB 0.727 38.760 38.000 0.054 0.000 1.405 71 I HN 0.605 nan 8.210 nan 0.000 0.548 72 D N 9.149 129.617 120.400 0.112 0.000 2.479 72 D HA -0.023 4.617 4.640 -0.000 0.000 0.257 72 D C -1.512 174.894 176.300 0.177 0.000 1.230 72 D CA -1.084 52.983 54.000 0.113 0.000 0.912 72 D CB 0.946 41.797 40.800 0.085 0.000 1.130 72 D HN 0.284 nan 8.370 nan 0.000 0.515 73 P HA 0.118 nan 4.420 nan 0.000 0.261 73 P C 0.910 178.312 177.300 0.169 0.000 1.268 73 P CA -0.016 63.215 63.100 0.219 0.000 0.833 73 P CB 0.413 32.194 31.700 0.135 0.000 1.231 74 A N 0.956 123.833 122.820 0.095 0.000 1.873 74 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 74 A C 2.270 179.867 177.584 0.023 0.000 1.193 74 A CA 2.689 54.757 52.037 0.051 0.000 0.629 74 A CB -1.922 17.094 19.000 0.027 0.000 0.826 74 A HN 0.202 nan 8.150 nan 0.000 0.447 75 T N -1.392 113.130 114.554 -0.052 0.000 2.777 75 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 75 T C 1.723 176.346 174.700 -0.129 0.000 1.040 75 T CA 1.608 63.624 62.100 -0.139 0.000 1.141 75 T CB -0.467 68.244 68.868 -0.262 0.000 0.868 75 T HN 0.568 nan 8.240 nan 0.000 0.444 76 Y N 1.325 121.651 120.300 0.043 0.000 2.165 76 Y HA -0.173 4.377 4.550 -0.000 0.000 0.286 76 Y C 2.744 178.693 175.900 0.082 0.000 1.155 76 Y CA 1.268 59.399 58.100 0.051 0.000 1.164 76 Y CB -0.199 38.280 38.460 0.031 0.000 0.978 76 Y HN 0.176 nan 8.280 nan 0.000 0.513 77 E N 0.510 120.844 120.200 0.223 0.000 2.031 77 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 77 E C 2.258 178.958 176.600 0.167 0.000 0.994 77 E CA 1.508 58.023 56.400 0.191 0.000 0.800 77 E CB -0.445 29.336 29.700 0.135 0.000 0.752 77 E HN 0.335 nan 8.360 nan 0.000 0.447 78 A N 0.666 123.543 122.820 0.096 0.000 1.877 78 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 78 A C 1.969 179.587 177.584 0.057 0.000 1.186 78 A CA 1.894 53.963 52.037 0.054 0.000 0.620 78 A CB -0.819 18.193 19.000 0.019 0.000 0.822 78 A HN 0.284 nan 8.150 nan 0.000 0.443 79 D N -1.799 118.642 120.400 0.069 0.000 2.182 79 D HA -0.161 4.479 4.640 -0.000 0.000 0.201 79 D C 1.612 177.994 176.300 0.135 0.000 0.986 79 D CA 1.517 55.565 54.000 0.079 0.000 0.847 79 D CB -0.343 40.504 40.800 0.078 0.000 0.942 79 D HN 0.622 nan 8.370 nan 0.000 0.467 80 Y N 1.695 122.023 120.300 0.048 0.000 2.184 80 Y HA -0.149 4.401 4.550 -0.000 0.000 0.290 80 Y C 2.173 178.087 175.900 0.023 0.000 1.129 80 Y CA 1.337 59.460 58.100 0.039 0.000 1.144 80 Y CB -0.225 38.263 38.460 0.047 0.000 0.995 80 Y HN -0.113 nan 8.280 nan 0.000 0.513 81 Q N -0.263 119.476 119.800 -0.103 0.000 2.112 81 Q HA -0.224 4.116 4.340 -0.000 0.000 0.206 81 Q C 2.540 178.457 176.000 -0.138 0.000 0.987 81 Q CA 1.842 57.543 55.803 -0.170 0.000 0.858 81 Q CB -0.983 27.729 28.738 -0.044 0.000 0.905 81 Q HN 0.535 nan 8.270 nan 0.000 0.420 82 S N 0.589 116.248 115.700 -0.070 0.000 2.371 82 S HA -0.035 4.435 4.470 -0.000 0.000 0.224 82 S C 2.093 176.654 174.600 -0.065 0.000 1.029 82 S CA 1.032 59.202 58.200 -0.051 0.000 0.978 82 S CB -0.101 63.087 63.200 -0.021 0.000 0.833 82 S HN 0.396 nan 8.310 nan 0.000 0.466 83 A N 1.128 123.907 122.820 -0.069 0.000 1.969 83 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 83 A C 2.270 179.791 177.584 -0.106 0.000 1.169 83 A CA 1.324 53.325 52.037 -0.061 0.000 0.635 83 A CB -0.621 18.374 19.000 -0.009 0.000 0.810 83 A HN 0.722 nan 8.150 nan 0.000 0.445 84 Q N -0.499 119.175 119.800 -0.210 0.000 2.079 84 Q HA -0.102 4.238 4.340 -0.000 0.000 0.200 84 Q C 2.510 178.445 176.000 -0.108 0.000 0.974 84 Q CA 1.261 56.944 55.803 -0.201 0.000 0.840 84 Q CB -0.431 28.108 28.738 -0.332 0.000 0.898 84 Q HN 0.657 nan 8.270 nan 0.000 0.430 85 A N 2.339 125.098 122.820 -0.102 0.000 1.859 85 A HA -0.283 4.037 4.320 -0.000 0.000 0.217 85 A C 1.954 179.515 177.584 -0.037 0.000 1.198 85 A CA 1.879 53.880 52.037 -0.060 0.000 0.629 85 A CB -1.100 17.867 19.000 -0.055 0.000 0.830 85 A HN 0.475 nan 8.150 nan 0.000 0.446 86 N N -0.315 118.364 118.700 -0.035 0.000 2.149 86 N HA -0.189 4.551 4.740 -0.000 0.000 0.188 86 N C 1.798 177.308 175.510 0.001 0.000 1.019 86 N CA 1.843 54.882 53.050 -0.018 0.000 0.857 86 N CB -0.230 38.245 38.487 -0.019 0.000 0.997 86 N HN 0.409 nan 8.380 nan 0.000 0.426 87 L N 1.357 122.580 121.223 0.001 0.000 2.027 87 L HA 0.011 4.351 4.340 -0.000 0.000 0.206 87 L C 2.449 179.357 176.870 0.063 0.000 1.074 87 L CA 1.954 56.821 54.840 0.045 0.000 0.745 87 L CB -0.923 41.152 42.059 0.027 0.000 0.898 87 L HN 0.158 nan 8.230 nan 0.000 0.433 88 A N -0.929 121.902 122.820 0.018 0.000 1.978 88 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 88 A C 2.523 180.107 177.584 0.000 0.000 1.170 88 A CA 2.253 54.295 52.037 0.008 0.000 0.636 88 A CB -1.050 17.943 19.000 -0.012 0.000 0.810 88 A HN 0.687 nan 8.150 nan 0.000 0.448 89 S N -2.354 113.344 115.700 -0.003 0.000 2.404 89 S HA -0.084 4.386 4.470 -0.000 0.000 0.223 89 S C 1.958 176.545 174.600 -0.022 0.000 1.040 89 S CA 1.637 59.828 58.200 -0.016 0.000 0.957 89 S CB -0.868 62.320 63.200 -0.019 0.000 0.826 89 S HN 0.388 nan 8.310 nan 0.000 0.491 90 T N 1.599 116.159 114.554 0.009 0.000 2.803 90 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 90 T C 1.901 176.624 174.700 0.038 0.000 1.052 90 T CA 1.841 63.961 62.100 0.033 0.000 1.136 90 T CB -0.432 68.482 68.868 0.077 0.000 0.864 90 T HN 0.667 nan 8.240 nan 0.000 0.467 91 Q N 0.073 119.895 119.800 0.036 0.000 2.096 91 Q HA -0.096 4.244 4.340 -0.000 0.000 0.197 91 Q C 2.352 178.231 176.000 -0.202 0.000 0.964 91 Q CA 1.077 56.752 55.803 -0.213 0.000 0.838 91 Q CB -0.130 28.541 28.738 -0.111 0.000 0.906 91 Q HN 0.370 nan 8.270 nan 0.000 0.444 92 E N 0.900 121.038 120.200 -0.103 0.000 2.058 92 E HA -0.292 4.058 4.350 -0.000 0.000 0.194 92 E C 1.871 178.414 176.600 -0.095 0.000 0.997 92 E CA 1.904 58.254 56.400 -0.082 0.000 0.801 92 E CB -0.088 29.583 29.700 -0.049 0.000 0.746 92 E HN 0.463 nan 8.360 nan 0.000 0.450 93 Q N 0.072 119.794 119.800 -0.130 0.000 2.050 93 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 93 Q C 2.080 177.934 176.000 -0.243 0.000 0.980 93 Q CA 2.257 57.917 55.803 -0.238 0.000 0.840 93 Q CB -0.368 28.186 28.738 -0.308 0.000 0.898 93 Q HN 0.315 nan 8.270 nan 0.000 0.424 94 A N 0.251 122.976 122.820 -0.158 0.000 1.883 94 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 94 A C 2.006 179.640 177.584 0.083 0.000 1.186 94 A CA 1.826 53.854 52.037 -0.015 0.000 0.624 94 A CB -0.697 18.220 19.000 -0.138 0.000 0.822 94 A HN 0.579 nan 8.150 nan 0.000 0.444 95 Q N -1.133 118.631 119.800 -0.059 0.000 2.050 95 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 95 Q C 2.429 178.434 176.000 0.008 0.000 0.980 95 Q CA 1.639 57.418 55.803 -0.039 0.000 0.840 95 Q CB -0.202 28.488 28.738 -0.081 0.000 0.898 95 Q HN 0.658 nan 8.270 nan 0.000 0.424 96 R N -0.294 120.229 120.500 0.039 0.000 2.080 96 R HA -0.191 4.149 4.340 -0.000 0.000 0.236 96 R C 2.015 178.445 176.300 0.217 0.000 1.137 96 R CA 1.561 57.726 56.100 0.109 0.000 0.943 96 R CB -0.145 30.235 30.300 0.134 0.000 0.846 96 R HN 0.266 nan 8.270 nan 0.000 0.431 97 Y N 0.734 121.042 120.300 0.014 0.000 2.333 97 Y HA -0.154 4.396 4.550 -0.000 0.000 0.290 97 Y C 2.200 178.000 175.900 -0.167 0.000 1.144 97 Y CA 1.017 59.135 58.100 0.031 0.000 1.228 97 Y CB -0.437 38.140 38.460 0.196 0.000 0.985 97 Y HN 0.113 nan 8.280 nan 0.000 0.542 98 K N 0.249 120.546 120.400 -0.171 0.000 2.057 98 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 98 K C 1.933 178.335 176.600 -0.331 0.000 1.049 98 K CA 1.211 57.105 56.287 -0.654 0.000 0.931 98 K CB -0.299 31.942 32.500 -0.432 0.000 0.714 98 K HN 0.254 nan 8.250 nan 0.000 0.440 99 L N 0.786 121.916 121.223 -0.155 0.000 2.027 99 L HA -0.179 4.161 4.340 -0.000 0.000 0.206 99 L C 2.398 179.205 176.870 -0.105 0.000 1.074 99 L CA 0.998 55.775 54.840 -0.106 0.000 0.745 99 L CB -0.442 41.584 42.059 -0.055 0.000 0.898 99 L HN 0.223 nan 8.230 nan 0.000 0.433 100 L N -0.876 120.291 121.223 -0.093 0.000 2.079 100 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 100 L C 2.598 179.386 176.870 -0.138 0.000 1.081 100 L CA 0.877 55.647 54.840 -0.117 0.000 0.752 100 L CB -0.525 41.434 42.059 -0.167 0.000 0.896 100 L HN 0.113 nan 8.230 nan 0.000 0.433 101 V N -0.147 119.668 119.914 -0.165 0.000 2.515 101 V HA -0.222 3.898 4.120 -0.000 0.000 0.250 101 V C 2.608 178.635 176.094 -0.113 0.000 1.058 101 V CA 1.656 63.874 62.300 -0.137 0.000 1.064 101 V CB -0.018 31.724 31.823 -0.135 0.000 0.675 101 V HN 0.439 nan 8.190 nan 0.000 0.461 102 A N -0.264 122.479 122.820 -0.129 0.000 1.902 102 A HA -0.207 4.112 4.320 -0.000 0.000 0.217 102 A C 1.761 179.304 177.584 -0.068 0.000 1.181 102 A CA 1.901 53.884 52.037 -0.090 0.000 0.623 102 A CB -0.582 18.363 19.000 -0.091 0.000 0.818 102 A HN 0.613 nan 8.150 nan 0.000 0.443 103 D N -0.378 119.980 120.400 -0.071 0.000 2.352 103 D HA 0.094 4.734 4.640 -0.000 0.000 0.232 103 D C 0.165 176.431 176.300 -0.055 0.000 1.055 103 D CA 0.467 54.434 54.000 -0.056 0.000 0.891 103 D CB -0.289 40.480 40.800 -0.053 0.000 0.897 103 D HN 0.600 nan 8.370 nan 0.000 0.529 104 Q N -1.161 118.603 119.800 -0.060 0.000 2.461 104 Q HA -0.271 4.069 4.340 -0.000 0.000 0.264 104 Q C 0.957 176.918 176.000 -0.064 0.000 1.085 104 Q CA 0.677 56.447 55.803 -0.054 0.000 1.006 104 Q CB -1.623 27.093 28.738 -0.038 0.000 1.437 104 Q HN 0.385 nan 8.270 nan 0.000 0.514 105 A N -0.724 122.046 122.820 -0.083 0.000 2.208 105 A HA 0.367 4.687 4.320 -0.000 0.000 0.209 105 A C 0.620 178.122 177.584 -0.136 0.000 1.161 105 A CA 0.725 52.705 52.037 -0.095 0.000 0.782 105 A CB 0.871 19.814 19.000 -0.094 0.000 0.816 105 A HN 0.163 nan 8.150 nan 0.000 0.477 106 V N -0.481 119.343 119.914 -0.150 0.000 3.147 106 V HA 0.440 4.560 4.120 -0.000 0.000 0.306 106 V C -0.037 176.001 176.094 -0.093 0.000 1.209 106 V CA -0.232 61.956 62.300 -0.187 0.000 1.023 106 V CB 2.429 34.017 31.823 -0.392 0.000 1.059 106 V HN 0.449 nan 8.190 nan 0.000 0.435 107 S N 2.408 118.078 115.700 -0.051 0.000 2.693 107 S HA 0.438 4.907 4.470 -0.000 0.000 0.276 107 S C 0.751 175.383 174.600 0.054 0.000 1.192 107 S CA -0.507 57.692 58.200 -0.002 0.000 0.994 107 S CB 1.319 64.522 63.200 0.006 0.000 1.012 107 S HN 0.667 nan 8.310 nan 0.000 0.550 108 K N -0.045 120.400 120.400 0.074 0.000 2.147 108 K HA -0.166 4.154 4.320 -0.000 0.000 0.205 108 K C 2.271 178.945 176.600 0.123 0.000 1.049 108 K CA 1.511 57.877 56.287 0.132 0.000 0.936 108 K CB -0.279 32.281 32.500 0.100 0.000 0.722 108 K HN 0.647 nan 8.250 nan 0.000 0.446 109 Q N 1.469 121.316 119.800 0.078 0.000 2.084 109 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 109 Q C 1.820 177.873 176.000 0.089 0.000 0.978 109 Q CA 1.741 57.582 55.803 0.063 0.000 0.844 109 Q CB -0.006 28.759 28.738 0.044 0.000 0.898 109 Q HN 0.312 nan 8.270 nan 0.000 0.426 110 Q N -1.432 118.436 119.800 0.114 0.000 2.084 110 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 110 Q C 1.837 178.042 176.000 0.341 0.000 0.978 110 Q CA 1.538 57.456 55.803 0.192 0.000 0.844 110 Q CB -0.359 28.446 28.738 0.111 0.000 0.898 110 Q HN 0.493 nan 8.270 nan 0.000 0.426 111 Y N 1.101 121.509 120.300 0.180 0.000 2.181 111 Y HA -0.197 4.353 4.550 -0.000 0.000 0.288 111 Y C 2.189 178.171 175.900 0.136 0.000 1.146 111 Y CA 1.121 59.346 58.100 0.208 0.000 1.164 111 Y CB -0.636 37.900 38.460 0.126 0.000 0.982 111 Y HN 0.069 nan 8.280 nan 0.000 0.515 112 A N 0.453 123.195 122.820 -0.130 0.000 1.892 112 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 112 A C 1.972 179.481 177.584 -0.125 0.000 1.188 112 A CA 2.220 54.145 52.037 -0.187 0.000 0.631 112 A CB -0.965 18.002 19.000 -0.055 0.000 0.822 112 A HN 0.557 nan 8.150 nan 0.000 0.447 113 D N 0.024 120.409 120.400 -0.025 0.000 2.117 113 D HA -0.038 4.602 4.640 -0.000 0.000 0.197 113 D C 2.222 178.506 176.300 -0.027 0.000 0.987 113 D CA 1.544 55.539 54.000 -0.008 0.000 0.829 113 D CB -0.569 40.252 40.800 0.035 0.000 0.961 113 D HN 0.447 nan 8.370 nan 0.000 0.460 114 A N 1.080 123.889 122.820 -0.019 0.000 1.877 114 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 114 A C 2.036 179.586 177.584 -0.056 0.000 1.186 114 A CA 1.547 53.539 52.037 -0.075 0.000 0.620 114 A CB -0.768 18.152 19.000 -0.133 0.000 0.822 114 A HN 0.231 nan 8.150 nan 0.000 0.443 115 N N 0.302 118.901 118.700 -0.167 0.000 2.084 115 N HA -0.170 4.570 4.740 -0.000 0.000 0.190 115 N C 1.986 177.490 175.510 -0.009 0.000 1.030 115 N CA 1.511 54.489 53.050 -0.120 0.000 0.849 115 N CB -0.231 38.000 38.487 -0.427 0.000 1.012 115 N HN 0.374 nan 8.380 nan 0.000 0.423 116 A N 1.063 123.844 122.820 -0.067 0.000 1.892 116 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 116 A C 2.412 179.977 177.584 -0.032 0.000 1.188 116 A CA 2.159 54.168 52.037 -0.047 0.000 0.631 116 A CB -1.035 17.937 19.000 -0.046 0.000 0.822 116 A HN 0.498 nan 8.150 nan 0.000 0.447 117 A N -1.513 121.300 122.820 -0.011 0.000 1.902 117 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 117 A C 2.157 179.752 177.584 0.018 0.000 1.181 117 A CA 1.728 53.762 52.037 -0.004 0.000 0.623 117 A CB -0.812 18.185 19.000 -0.005 0.000 0.818 117 A HN 0.859 nan 8.150 nan 0.000 0.443 118 Y N 0.702 120.965 120.300 -0.062 0.000 2.145 118 Y HA -0.154 4.396 4.550 -0.000 0.000 0.286 118 Y C 1.863 177.743 175.900 -0.034 0.000 1.145 118 Y CA 1.676 59.748 58.100 -0.047 0.000 1.148 118 Y CB -0.528 37.905 38.460 -0.045 0.000 0.981 118 Y HN 0.196 nan 8.280 nan 0.000 0.507 119 L N 0.241 121.199 121.223 -0.441 0.000 2.043 119 L HA -0.313 4.027 4.340 -0.000 0.000 0.212 119 L C 2.564 179.274 176.870 -0.267 0.000 1.075 119 L CA 2.021 56.610 54.840 -0.419 0.000 0.752 119 L CB -0.776 41.166 42.059 -0.196 0.000 0.891 119 L HN 0.329 nan 8.230 nan 0.000 0.432 120 Q N -0.663 119.042 119.800 -0.158 0.000 2.135 120 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 120 Q C 2.379 178.318 176.000 -0.102 0.000 0.981 120 Q CA 1.748 57.489 55.803 -0.103 0.000 0.856 120 Q CB -0.141 28.561 28.738 -0.060 0.000 0.902 120 Q HN 0.448 nan 8.270 nan 0.000 0.425 121 S N 0.547 116.175 115.700 -0.119 0.000 2.368 121 S HA -0.100 4.370 4.470 -0.000 0.000 0.224 121 S C 1.717 176.254 174.600 -0.106 0.000 1.029 121 S CA 0.644 58.794 58.200 -0.083 0.000 0.988 121 S CB -0.049 63.130 63.200 -0.036 0.000 0.838 121 S HN 0.183 nan 8.310 nan 0.000 0.462 122 K N 1.976 122.248 120.400 -0.213 0.000 2.034 122 K HA -0.074 4.246 4.320 -0.000 0.000 0.214 122 K C 2.303 178.843 176.600 -0.100 0.000 1.051 122 K CA 1.699 57.872 56.287 -0.190 0.000 0.931 122 K CB -0.939 31.360 32.500 -0.335 0.000 0.715 122 K HN 0.348 nan 8.250 nan 0.000 0.446 123 A N 0.758 123.515 122.820 -0.106 0.000 1.883 123 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 123 A C 2.375 179.944 177.584 -0.024 0.000 1.186 123 A CA 2.439 54.441 52.037 -0.058 0.000 0.624 123 A CB -0.689 18.275 19.000 -0.061 0.000 0.822 123 A HN 0.375 nan 8.150 nan 0.000 0.444 124 A N -0.682 122.124 122.820 -0.023 0.000 1.930 124 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 124 A C 2.190 179.799 177.584 0.041 0.000 1.175 124 A CA 1.685 53.727 52.037 0.008 0.000 0.627 124 A CB -0.837 18.163 19.000 0.000 0.000 0.815 124 A HN 0.402 nan 8.150 nan 0.000 0.443 125 V N 0.053 119.987 119.914 0.033 0.000 2.407 125 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 125 V C 2.591 178.764 176.094 0.131 0.000 1.055 125 V CA 2.048 64.404 62.300 0.094 0.000 1.049 125 V CB -0.624 31.232 31.823 0.055 0.000 0.662 125 V HN 0.474 nan 8.190 nan 0.000 0.455 126 E N -0.141 120.093 120.200 0.057 0.000 2.028 126 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 126 E C 2.252 178.862 176.600 0.016 0.000 0.988 126 E CA 1.192 57.610 56.400 0.030 0.000 0.799 126 E CB -0.306 29.395 29.700 0.002 0.000 0.755 126 E HN 0.530 nan 8.360 nan 0.000 0.447 127 Q N 0.627 120.442 119.800 0.026 0.000 2.135 127 Q HA -0.058 4.282 4.340 -0.000 0.000 0.204 127 Q C 1.885 177.913 176.000 0.045 0.000 0.981 127 Q CA 1.908 57.729 55.803 0.030 0.000 0.856 127 Q CB -0.497 28.266 28.738 0.042 0.000 0.902 127 Q HN 0.230 nan 8.270 nan 0.000 0.425 128 A N 0.217 123.097 122.820 0.100 0.000 1.898 128 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 128 A C 2.153 179.750 177.584 0.022 0.000 1.181 128 A CA 1.537 53.670 52.037 0.160 0.000 0.620 128 A CB -0.584 18.588 19.000 0.286 0.000 0.819 128 A HN 0.379 nan 8.150 nan 0.000 0.442 129 R N -0.306 120.161 120.500 -0.056 0.000 2.073 129 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 129 R C 1.970 178.068 176.300 -0.338 0.000 1.134 129 R CA 1.702 57.562 56.100 -0.400 0.000 0.952 129 R CB -0.404 29.774 30.300 -0.203 0.000 0.850 129 R HN 0.554 nan 8.270 nan 0.000 0.433 130 I N 1.414 121.836 120.570 -0.247 0.000 2.099 130 I HA -0.350 3.819 4.170 -0.000 0.000 0.239 130 I C 1.949 177.818 176.117 -0.414 0.000 1.066 130 I CA 1.413 62.494 61.300 -0.365 0.000 1.324 130 I CB -0.506 37.355 38.000 -0.231 0.000 1.037 130 I HN 0.250 nan 8.210 nan 0.000 0.401 131 N N 0.761 119.345 118.700 -0.193 0.000 2.094 131 N HA -0.225 4.515 4.740 -0.000 0.000 0.191 131 N C 1.795 177.090 175.510 -0.358 0.000 1.023 131 N CA 1.432 54.361 53.050 -0.202 0.000 0.857 131 N CB -0.608 37.833 38.487 -0.076 0.000 1.013 131 N HN 0.248 nan 8.380 nan 0.000 0.426 132 L N 1.594 122.656 121.223 -0.268 0.000 2.093 132 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 132 L C 2.403 179.127 176.870 -0.243 0.000 1.085 132 L CA 1.433 56.135 54.840 -0.231 0.000 0.755 132 L CB -0.452 41.475 42.059 -0.221 0.000 0.904 132 L HN 0.057 nan 8.230 nan 0.000 0.435 133 R N -1.330 118.978 120.500 -0.320 0.000 2.081 133 R HA -0.220 4.120 4.340 -0.000 0.000 0.235 133 R C 2.136 178.328 176.300 -0.180 0.000 1.131 133 R CA 1.989 57.915 56.100 -0.289 0.000 0.960 133 R CB -0.658 29.405 30.300 -0.395 0.000 0.856 133 R HN 0.532 nan 8.270 nan 0.000 0.436 134 Y N 0.600 120.800 120.300 -0.168 0.000 2.639 134 Y HA -0.115 4.435 4.550 -0.000 0.000 0.297 134 Y C 2.296 178.100 175.900 -0.159 0.000 1.151 134 Y CA 0.811 58.820 58.100 -0.153 0.000 1.335 134 Y CB 0.065 38.422 38.460 -0.173 0.000 0.994 134 Y HN 0.336 nan 8.280 nan 0.000 0.548 135 T N -2.062 112.463 114.554 -0.048 0.000 3.051 135 T HA -0.072 4.278 4.350 -0.000 0.000 0.269 135 T C 0.547 175.269 174.700 0.036 0.000 1.127 135 T CA 0.423 62.502 62.100 -0.035 0.000 1.107 135 T CB -0.165 68.682 68.868 -0.035 0.000 0.898 135 T HN 0.117 nan 8.240 nan 0.000 0.517 136 K N 1.928 122.356 120.400 0.046 0.000 2.354 136 K HA 0.497 4.816 4.320 -0.000 0.000 0.257 136 K C -1.165 175.494 176.600 0.099 0.000 1.062 136 K CA -0.530 55.799 56.287 0.069 0.000 0.971 136 K CB 1.793 34.316 32.500 0.039 0.000 1.305 136 K HN 0.063 nan 8.250 nan 0.000 0.449 137 V N 5.536 125.533 119.914 0.139 0.000 2.455 137 V HA 0.213 4.333 4.120 -0.000 0.000 0.273 137 V C 0.215 176.397 176.094 0.146 0.000 1.045 137 V CA -0.450 61.941 62.300 0.152 0.000 0.976 137 V CB 0.346 32.295 31.823 0.209 0.000 0.993 137 V HN 0.566 nan 8.190 nan 0.000 0.475 138 L N 3.272 124.552 121.223 0.095 0.000 2.334 138 L HA 0.507 4.847 4.340 -0.000 0.000 0.272 138 L C 0.573 177.458 176.870 0.025 0.000 1.020 138 L CA -0.447 54.425 54.840 0.054 0.000 0.812 138 L CB 1.775 43.859 42.059 0.042 0.000 1.264 138 L HN 0.549 nan 8.230 nan 0.000 0.439 139 S N 1.799 117.491 115.700 -0.013 0.000 2.498 139 S HA 0.161 4.631 4.470 -0.000 0.000 0.281 139 S C -1.475 173.111 174.600 -0.023 0.000 1.265 139 S CA -1.179 56.996 58.200 -0.042 0.000 1.071 139 S CB 0.754 63.906 63.200 -0.080 0.000 0.894 139 S HN 0.396 nan 8.310 nan 0.000 0.491 140 P HA 0.086 nan 4.420 nan 0.000 0.221 140 P C 0.257 177.546 177.300 -0.018 0.000 1.150 140 P CA 0.813 63.904 63.100 -0.014 0.000 0.800 140 P CB -0.255 31.435 31.700 -0.017 0.000 0.787 141 I N -6.350 114.203 120.570 -0.028 0.000 3.095 141 I HA 0.499 4.669 4.170 -0.000 0.000 0.310 141 I C -0.911 175.189 176.117 -0.029 0.000 1.196 141 I CA -1.348 59.938 61.300 -0.022 0.000 0.985 141 I CB 2.238 40.227 38.000 -0.019 0.000 1.250 141 I HN -0.463 nan 8.210 nan 0.000 0.446 142 S N 1.514 117.204 115.700 -0.017 0.000 2.565 142 S HA 0.806 5.276 4.470 -0.000 0.000 0.276 142 S C 0.192 174.778 174.600 -0.022 0.000 1.326 142 S CA 0.316 58.503 58.200 -0.021 0.000 1.045 142 S CB 1.045 64.239 63.200 -0.011 0.000 0.918 142 S HN 1.162 nan 8.310 nan 0.000 0.505 143 G N 1.451 110.230 108.800 -0.036 0.000 2.317 143 G HA2 0.351 4.311 3.960 -0.000 0.000 0.293 143 G HA3 0.351 4.311 3.960 -0.000 0.000 0.293 143 G C -1.706 173.164 174.900 -0.050 0.000 1.287 143 G CA -1.051 44.028 45.100 -0.036 0.000 0.850 143 G HN 0.625 nan 8.290 nan 0.000 0.515 144 R N -0.124 120.349 120.500 -0.044 0.000 2.265 144 R HA 0.651 4.991 4.340 -0.000 0.000 0.319 144 R C -0.628 175.631 176.300 -0.067 0.000 1.006 144 R CA -0.640 55.432 56.100 -0.046 0.000 0.880 144 R CB 1.041 31.326 30.300 -0.026 0.000 1.077 144 R HN 0.533 nan 8.270 nan 0.000 0.454 145 I N 3.587 124.099 120.570 -0.096 0.000 2.437 145 I HA 0.392 4.561 4.170 -0.000 0.000 0.298 145 I C 0.568 176.660 176.117 -0.043 0.000 0.984 145 I CA -0.174 61.040 61.300 -0.143 0.000 1.214 145 I CB 1.630 39.394 38.000 -0.393 0.000 1.365 145 I HN 0.801 nan 8.210 nan 0.000 0.469 146 G N 6.279 115.074 108.800 -0.007 0.000 2.783 146 G HA2 0.349 4.308 3.960 -0.000 0.000 0.182 146 G HA3 0.349 4.308 3.960 -0.000 0.000 0.182 146 G C -0.315 174.668 174.900 0.138 0.000 1.516 146 G CA -0.696 44.437 45.100 0.054 0.000 1.079 146 G HN 0.607 nan 8.290 nan 0.000 0.573 147 R N -0.156 120.417 120.500 0.122 0.000 2.539 147 R HA 0.365 4.705 4.340 -0.000 0.000 0.275 147 R C -0.012 176.416 176.300 0.214 0.000 1.077 147 R CA -0.133 56.056 56.100 0.147 0.000 1.097 147 R CB 1.020 31.373 30.300 0.089 0.000 1.018 147 R HN 0.317 nan 8.270 nan 0.000 0.483 148 S N 1.314 117.163 115.700 0.248 0.000 2.465 148 S HA 0.142 4.612 4.470 -0.000 0.000 0.280 148 S C 1.117 175.821 174.600 0.174 0.000 1.232 148 S CA -0.354 58.024 58.200 0.297 0.000 1.066 148 S CB 0.730 64.058 63.200 0.215 0.000 0.929 148 S HN 0.707 nan 8.310 nan 0.000 0.494 149 A N 4.971 127.883 122.820 0.154 0.000 2.209 149 A HA 0.266 4.586 4.320 -0.000 0.000 0.212 149 A C 0.555 178.172 177.584 0.056 0.000 1.158 149 A CA 0.333 52.419 52.037 0.082 0.000 0.742 149 A CB 0.104 19.139 19.000 0.058 0.000 0.790 149 A HN 0.613 nan 8.150 nan 0.000 0.472 150 V N 0.890 120.848 119.914 0.073 0.000 2.604 150 V HA 0.391 4.511 4.120 -0.000 0.000 0.305 150 V C 0.405 176.532 176.094 0.056 0.000 1.043 150 V CA -0.249 62.064 62.300 0.023 0.000 0.888 150 V CB 1.936 33.717 31.823 -0.070 0.000 0.995 150 V HN 0.485 nan 8.190 nan 0.000 0.429 151 T N 1.328 115.899 114.554 0.029 0.000 2.874 151 T HA 0.491 4.841 4.350 -0.000 0.000 0.281 151 T C 0.035 174.757 174.700 0.036 0.000 0.994 151 T CA -0.724 61.394 62.100 0.031 0.000 1.015 151 T CB 0.901 69.778 68.868 0.014 0.000 1.028 151 T HN 0.637 nan 8.240 nan 0.000 0.523 152 E N 0.030 120.250 120.200 0.033 0.000 2.442 152 E HA 0.334 4.684 4.350 -0.000 0.000 0.262 152 E C 1.361 177.973 176.600 0.020 0.000 1.004 152 E CA 0.926 57.345 56.400 0.033 0.000 0.928 152 E CB 0.020 29.730 29.700 0.017 0.000 0.937 152 E HN 1.065 nan 8.360 nan 0.000 0.446 153 G N 1.678 110.491 108.800 0.022 0.000 2.184 153 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.264 153 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.264 153 G C 0.355 175.260 174.900 0.008 0.000 0.975 153 G CA 0.137 45.246 45.100 0.014 0.000 0.642 153 G HN 0.783 nan 8.290 nan 0.000 0.536 154 A N -0.473 122.349 122.820 0.003 0.000 2.332 154 A HA 0.728 5.048 4.320 -0.000 0.000 0.258 154 A C 0.286 177.862 177.584 -0.013 0.000 1.087 154 A CA 0.096 52.128 52.037 -0.008 0.000 0.802 154 A CB 0.791 19.780 19.000 -0.018 0.000 1.042 154 A HN 1.395 nan 8.150 nan 0.000 0.489 155 L N 2.466 123.681 121.223 -0.014 0.000 2.290 155 L HA 0.533 4.873 4.340 -0.000 0.000 0.284 155 L C -0.039 176.814 176.870 -0.028 0.000 1.078 155 L CA 0.005 54.838 54.840 -0.012 0.000 0.815 155 L CB 1.135 43.190 42.059 -0.007 0.000 1.162 155 L HN 0.653 nan 8.230 nan 0.000 0.435 156 V N 1.540 121.436 119.914 -0.031 0.000 2.667 156 V HA 0.814 4.934 4.120 -0.000 0.000 0.308 156 V C -0.134 175.944 176.094 -0.028 0.000 1.048 156 V CA -0.284 61.986 62.300 -0.050 0.000 0.928 156 V CB 1.627 33.396 31.823 -0.090 0.000 1.004 156 V HN 0.797 nan 8.190 nan 0.000 0.444 157 T N 3.099 117.630 114.554 -0.037 0.000 2.876 157 T HA 0.396 4.746 4.350 -0.000 0.000 0.289 157 T C -0.328 174.344 174.700 -0.047 0.000 1.014 157 T CA -0.380 61.705 62.100 -0.026 0.000 0.986 157 T CB 1.376 70.232 68.868 -0.021 0.000 1.021 157 T HN 0.942 nan 8.240 nan 0.000 0.458 158 N N 1.277 119.951 118.700 -0.044 0.000 2.447 158 N HA 0.343 5.083 4.740 -0.000 0.000 0.263 158 N C 1.251 176.726 175.510 -0.058 0.000 1.226 158 N CA 1.631 54.639 53.050 -0.070 0.000 0.906 158 N CB 0.080 38.530 38.487 -0.062 0.000 1.060 158 N HN 1.011 nan 8.380 nan 0.000 0.468 159 G N 2.027 110.784 108.800 -0.072 0.000 2.136 159 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.242 159 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.242 159 G C -0.003 174.870 174.900 -0.045 0.000 0.989 159 G CA 0.546 45.612 45.100 -0.055 0.000 0.682 159 G HN 0.906 nan 8.290 nan 0.000 0.522 160 Q N -0.724 119.047 119.800 -0.049 0.000 2.454 160 Q HA 0.684 5.024 4.340 -0.000 0.000 0.247 160 Q C 1.683 177.661 176.000 -0.038 0.000 1.028 160 Q CA 0.323 56.102 55.803 -0.041 0.000 0.910 160 Q CB 0.934 29.645 28.738 -0.044 0.000 1.276 160 Q HN 0.844 nan 8.270 nan 0.000 0.489 161 A N 3.339 126.142 122.820 -0.029 0.000 1.883 161 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 161 A C 0.332 177.900 177.584 -0.026 0.000 1.186 161 A CA 1.508 53.530 52.037 -0.025 0.000 0.624 161 A CB -0.668 18.321 19.000 -0.019 0.000 0.822 161 A HN 0.888 nan 8.150 nan 0.000 0.444 162 N N -0.495 118.189 118.700 -0.027 0.000 2.438 162 N HA 0.534 5.274 4.740 -0.000 0.000 0.282 162 N C -0.328 175.164 175.510 -0.029 0.000 1.037 162 N CA -0.145 52.891 53.050 -0.023 0.000 0.942 162 N CB 1.443 39.920 38.487 -0.017 0.000 1.136 162 N HN 0.433 nan 8.380 nan 0.000 0.481 163 A N 1.900 124.708 122.820 -0.020 0.000 2.386 163 A HA 0.158 4.477 4.320 -0.000 0.000 0.246 163 A C 0.955 178.534 177.584 -0.008 0.000 1.089 163 A CA 0.018 52.044 52.037 -0.018 0.000 0.790 163 A CB 0.237 19.233 19.000 -0.006 0.000 1.042 163 A HN 0.814 nan 8.150 nan 0.000 0.497 164 M N 0.133 119.732 119.600 -0.003 0.000 2.501 164 M HA 0.324 4.804 4.480 -0.000 0.000 0.261 164 M C 0.582 176.991 176.300 0.182 0.000 1.129 164 M CA 1.285 56.598 55.300 0.022 0.000 1.126 164 M CB 0.087 32.593 32.600 -0.156 0.000 1.359 164 M HN 0.861 nan 8.290 nan 0.000 0.471 165 A N -0.458 122.451 122.820 0.149 0.000 2.544 165 A HA 0.670 4.990 4.320 -0.000 0.000 0.291 165 A C -1.088 176.522 177.584 0.043 0.000 1.055 165 A CA -0.708 51.412 52.037 0.138 0.000 0.651 165 A CB 0.956 20.068 19.000 0.186 0.000 1.296 165 A HN 0.042 nan 8.150 nan 0.000 0.431 166 T N 0.705 115.261 114.554 0.004 0.000 2.881 166 T HA 0.585 4.935 4.350 -0.000 0.000 0.290 166 T C -1.062 173.605 174.700 -0.056 0.000 1.000 166 T CA -0.402 61.685 62.100 -0.021 0.000 0.978 166 T CB 1.476 70.340 68.868 -0.007 0.000 0.997 166 T HN 0.899 nan 8.240 nan 0.000 0.443 167 V N 3.910 123.785 119.914 -0.064 0.000 2.384 167 V HA 0.443 4.563 4.120 -0.000 0.000 0.287 167 V C -0.257 175.809 176.094 -0.046 0.000 1.020 167 V CA -0.718 61.536 62.300 -0.077 0.000 0.850 167 V CB 1.473 33.238 31.823 -0.096 0.000 0.987 167 V HN 0.816 nan 8.190 nan 0.000 0.436 168 Q N 3.237 123.014 119.800 -0.038 0.000 2.333 168 Q HA 0.390 4.730 4.340 -0.000 0.000 0.268 168 Q C -0.540 175.453 176.000 -0.012 0.000 1.007 168 Q CA -0.397 55.393 55.803 -0.021 0.000 0.810 168 Q CB 2.571 31.299 28.738 -0.017 0.000 1.264 168 Q HN 0.721 nan 8.270 nan 0.000 0.452 169 Q N 3.517 123.323 119.800 0.009 0.000 2.293 169 Q HA 0.128 4.467 4.340 -0.000 0.000 0.263 169 Q C -0.285 175.733 176.000 0.030 0.000 1.002 169 Q CA 0.238 56.062 55.803 0.034 0.000 0.910 169 Q CB 0.524 29.324 28.738 0.104 0.000 1.185 169 Q HN 0.736 nan 8.270 nan 0.000 0.401 170 L N 3.475 124.693 121.223 -0.008 0.000 2.906 170 L HA 0.153 4.493 4.340 -0.000 0.000 0.255 170 L C 0.795 177.629 176.870 -0.061 0.000 1.166 170 L CA -0.194 54.629 54.840 -0.028 0.000 0.977 170 L CB 0.338 42.382 42.059 -0.025 0.000 1.313 170 L HN 0.645 nan 8.230 nan 0.000 0.549 171 D N 1.290 121.636 120.400 -0.090 0.000 2.178 171 D HA 0.030 4.670 4.640 -0.000 0.000 0.217 171 D C -1.755 174.426 176.300 -0.198 0.000 0.992 171 D CA 0.320 54.252 54.000 -0.113 0.000 0.895 171 D CB -0.494 40.244 40.800 -0.104 0.000 1.031 171 D HN -0.005 nan 8.370 nan 0.000 0.453 172 P HA 0.216 nan 4.420 nan 0.000 0.268 172 P C -0.756 176.255 177.300 -0.482 0.000 1.205 172 P CA 0.323 63.034 63.100 -0.648 0.000 0.771 172 P CB 0.948 31.758 31.700 -1.483 0.000 0.858 173 I N 2.398 122.811 120.570 -0.261 0.000 2.722 173 I HA 0.374 4.544 4.170 -0.000 0.000 0.295 173 I C -1.191 174.954 176.117 0.046 0.000 1.161 173 I CA -1.101 60.138 61.300 -0.101 0.000 1.032 173 I CB 1.548 39.512 38.000 -0.060 0.000 1.244 173 I HN 0.260 nan 8.210 nan 0.000 0.421 174 Y N 4.827 125.219 120.300 0.153 0.000 2.354 174 Y HA 0.399 4.949 4.550 -0.000 0.000 0.322 174 Y C 0.942 176.886 175.900 0.074 0.000 1.253 174 Y CA -0.598 57.580 58.100 0.130 0.000 1.272 174 Y CB 1.810 40.330 38.460 0.100 0.000 1.255 174 Y HN 0.411 nan 8.280 nan 0.000 0.500 175 V N -2.948 117.127 119.914 0.268 0.000 3.432 175 V HA 0.266 4.386 4.120 -0.000 0.000 0.298 175 V C -0.722 175.396 176.094 0.040 0.000 1.464 175 V CA -0.341 62.031 62.300 0.120 0.000 1.046 175 V CB -0.218 31.684 31.823 0.132 0.000 0.887 175 V HN 0.924 nan 8.190 nan 0.000 0.441 176 D N 0.946 121.352 120.400 0.011 0.000 3.142 176 D HA -0.133 4.507 4.640 -0.000 0.000 0.221 176 D C -0.249 176.030 176.300 -0.035 0.000 1.193 176 D CA 1.014 54.989 54.000 -0.042 0.000 0.900 176 D CB -0.648 40.126 40.800 -0.043 0.000 0.886 176 D HN 0.484 nan 8.370 nan 0.000 0.399 177 V N 1.889 121.787 119.914 -0.027 0.000 2.407 177 V HA 0.401 4.521 4.120 -0.000 0.000 0.278 177 V C 0.872 176.962 176.094 -0.005 0.000 1.037 177 V CA -0.251 62.044 62.300 -0.008 0.000 0.900 177 V CB 1.920 33.751 31.823 0.013 0.000 0.983 177 V HN 0.339 nan 8.190 nan 0.000 0.459 178 T N 6.057 120.612 114.554 0.001 0.000 2.758 178 T HA 0.551 4.900 4.350 -0.000 0.000 0.285 178 T C -0.337 174.378 174.700 0.024 0.000 0.981 178 T CA -0.346 61.759 62.100 0.007 0.000 0.965 178 T CB 1.193 70.062 68.868 0.001 0.000 0.927 178 T HN 0.722 nan 8.240 nan 0.000 0.448 179 Q N 2.049 121.866 119.800 0.029 0.000 2.528 179 Q HA 0.451 4.791 4.340 -0.000 0.000 0.289 179 Q C -2.664 173.354 176.000 0.030 0.000 1.091 179 Q CA -2.602 53.223 55.803 0.037 0.000 0.797 179 Q CB 2.202 30.972 28.738 0.053 0.000 1.466 179 Q HN 0.317 nan 8.270 nan 0.000 0.436 180 P HA -0.040 nan 4.420 nan 0.000 0.271 180 P C 0.037 177.352 177.300 0.025 0.000 1.218 180 P CA 0.171 63.285 63.100 0.023 0.000 0.780 180 P CB 0.819 32.532 31.700 0.022 0.000 0.901 181 S N 1.766 117.477 115.700 0.018 0.000 2.377 181 S HA -0.260 4.210 4.470 -0.000 0.000 0.224 181 S C 1.840 176.449 174.600 0.015 0.000 1.042 181 S CA 2.412 60.622 58.200 0.017 0.000 1.086 181 S CB -2.363 60.843 63.200 0.011 0.000 0.995 181 S HN 0.630 nan 8.310 nan 0.000 0.428 182 T N 1.712 116.272 114.554 0.009 0.000 2.685 182 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 182 T C 2.016 176.718 174.700 0.004 0.000 1.034 182 T CA 1.719 63.820 62.100 0.003 0.000 1.149 182 T CB -1.284 67.586 68.868 0.002 0.000 0.860 182 T HN 0.718 nan 8.240 nan 0.000 0.449 183 A N 1.236 124.065 122.820 0.015 0.000 2.024 183 A HA 0.074 4.394 4.320 -0.000 0.000 0.220 183 A C 2.319 179.921 177.584 0.029 0.000 1.164 183 A CA 1.676 53.727 52.037 0.023 0.000 0.643 183 A CB -0.817 18.204 19.000 0.035 0.000 0.806 183 A HN 0.546 nan 8.150 nan 0.000 0.451 184 L N -1.305 119.939 121.223 0.035 0.000 2.068 184 L HA 0.001 4.341 4.340 -0.000 0.000 0.204 184 L C 2.137 178.987 176.870 -0.033 0.000 1.076 184 L CA 1.522 56.393 54.840 0.051 0.000 0.753 184 L CB -0.415 41.694 42.059 0.084 0.000 0.910 184 L HN 0.262 nan 8.230 nan 0.000 0.439 185 L N 0.167 121.369 121.223 -0.034 0.000 2.083 185 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 185 L C 2.731 179.547 176.870 -0.089 0.000 1.083 185 L CA 1.725 56.525 54.840 -0.066 0.000 0.752 185 L CB -1.011 41.026 42.059 -0.037 0.000 0.899 185 L HN 0.385 nan 8.230 nan 0.000 0.433 186 R N -0.799 119.665 120.500 -0.060 0.000 2.105 186 R HA -0.169 4.171 4.340 -0.000 0.000 0.239 186 R C 2.176 178.421 176.300 -0.091 0.000 1.135 186 R CA 1.753 57.819 56.100 -0.056 0.000 0.967 186 R CB -0.217 30.069 30.300 -0.025 0.000 0.861 186 R HN 0.437 nan 8.270 nan 0.000 0.442 187 L N -0.565 120.585 121.223 -0.122 0.000 2.179 187 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 187 L C 2.561 179.144 176.870 -0.479 0.000 1.096 187 L CA 0.804 55.522 54.840 -0.204 0.000 0.779 187 L CB -0.307 41.703 42.059 -0.082 0.000 0.922 187 L HN 0.102 nan 8.230 nan 0.000 0.443 188 R N 0.041 120.234 120.500 -0.513 0.000 2.115 188 R HA -0.086 4.254 4.340 -0.000 0.000 0.230 188 R C 2.425 178.551 176.300 -0.290 0.000 1.111 188 R CA 0.966 56.745 56.100 -0.535 0.000 0.976 188 R CB -0.170 29.928 30.300 -0.336 0.000 0.870 188 R HN 0.356 nan 8.270 nan 0.000 0.445 189 R N 1.011 121.396 120.500 -0.192 0.000 2.096 189 R HA -0.156 4.184 4.340 -0.000 0.000 0.229 189 R C 2.038 178.271 176.300 -0.112 0.000 1.134 189 R CA 1.700 57.728 56.100 -0.120 0.000 0.917 189 R CB -0.420 29.830 30.300 -0.083 0.000 0.832 189 R HN 0.314 nan 8.270 nan 0.000 0.430 190 E N 0.573 120.708 120.200 -0.109 0.000 2.339 190 E HA -0.238 4.112 4.350 -0.000 0.000 0.201 190 E C 1.825 178.382 176.600 -0.071 0.000 1.015 190 E CA 0.951 57.307 56.400 -0.073 0.000 0.841 190 E CB -0.119 29.549 29.700 -0.052 0.000 0.754 190 E HN 0.179 nan 8.360 nan 0.000 0.508 191 L N -0.045 121.101 121.223 -0.127 0.000 2.168 191 L HA 0.117 4.457 4.340 -0.000 0.000 0.203 191 L C 2.171 179.008 176.870 -0.054 0.000 1.078 191 L CA 1.393 56.182 54.840 -0.085 0.000 0.780 191 L CB -0.288 41.680 42.059 -0.151 0.000 0.939 191 L HN -0.018 nan 8.230 nan 0.000 0.451 192 A N -0.729 122.047 122.820 -0.074 0.000 1.902 192 A HA -0.144 4.175 4.320 -0.000 0.000 0.217 192 A C 1.846 179.411 177.584 -0.031 0.000 1.181 192 A CA 1.411 53.420 52.037 -0.046 0.000 0.623 192 A CB -1.047 17.921 19.000 -0.053 0.000 0.818 192 A HN 0.571 nan 8.150 nan 0.000 0.443 193 S N -0.269 115.410 115.700 -0.035 0.000 3.513 193 S HA 0.406 4.876 4.470 -0.000 0.000 0.209 193 S C 1.224 175.815 174.600 -0.015 0.000 1.446 193 S CA 0.445 58.631 58.200 -0.023 0.000 1.150 193 S CB -0.805 62.380 63.200 -0.025 0.000 1.266 193 S HN 1.452 nan 8.310 nan 0.000 0.502 194 G N 1.813 110.607 108.800 -0.009 0.000 2.418 194 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.320 194 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.320 194 G C 0.938 175.841 174.900 0.005 0.000 1.013 194 G CA 1.324 46.425 45.100 0.001 0.000 0.687 194 G HN 0.709 nan 8.290 nan 0.000 0.550 195 Q N -1.017 118.783 119.800 0.000 0.000 2.170 195 Q HA 0.068 4.408 4.340 -0.000 0.000 0.203 195 Q C 1.008 177.019 176.000 0.018 0.000 0.976 195 Q CA 0.579 56.385 55.803 0.006 0.000 0.858 195 Q CB -0.068 28.670 28.738 -0.001 0.000 0.907 195 Q HN 0.580 nan 8.270 nan 0.000 0.433 196 L N 1.711 122.948 121.223 0.023 0.000 2.307 196 L HA 0.343 4.683 4.340 -0.000 0.000 0.284 196 L C -0.174 176.729 176.870 0.055 0.000 1.023 196 L CA -0.585 54.285 54.840 0.050 0.000 0.810 196 L CB 1.583 43.687 42.059 0.076 0.000 1.231 196 L HN 0.109 nan 8.230 nan 0.000 0.423 197 E N 3.627 123.860 120.200 0.056 0.000 2.376 197 E HA 0.086 4.436 4.350 -0.000 0.000 0.266 197 E C -0.449 176.184 176.600 0.054 0.000 1.009 197 E CA -0.502 55.925 56.400 0.046 0.000 0.902 197 E CB 0.731 30.454 29.700 0.037 0.000 0.972 197 E HN 0.391 nan 8.360 nan 0.000 0.439 198 R N 2.182 122.708 120.500 0.044 0.000 2.438 198 R HA 0.313 4.653 4.340 -0.000 0.000 0.287 198 R C -0.768 175.549 176.300 0.028 0.000 1.077 198 R CA -0.113 56.014 56.100 0.046 0.000 1.034 198 R CB 1.258 31.581 30.300 0.038 0.000 0.993 198 R HN 0.443 nan 8.270 nan 0.000 0.459 199 A N 2.415 125.249 122.820 0.024 0.000 2.646 199 A HA 0.542 4.862 4.320 -0.000 0.000 0.312 199 A C 0.266 177.852 177.584 0.002 0.000 1.245 199 A CA -0.030 52.006 52.037 -0.002 0.000 0.755 199 A CB 0.778 19.759 19.000 -0.031 0.000 1.132 199 A HN 0.897 nan 8.150 nan 0.000 0.458 200 G N 2.584 111.390 108.800 0.009 0.000 2.915 200 G HA2 0.005 3.965 3.960 -0.000 0.000 0.337 200 G HA3 0.005 3.965 3.960 -0.000 0.000 0.337 200 G C -0.389 174.532 174.900 0.035 0.000 1.477 200 G CA 0.160 45.269 45.100 0.016 0.000 0.916 200 G HN 1.550 nan 8.290 nan 0.000 0.550 201 D N -0.682 119.742 120.400 0.039 0.000 2.348 201 D HA 0.511 5.151 4.640 -0.000 0.000 0.249 201 D C 1.089 177.440 176.300 0.085 0.000 1.110 201 D CA -0.183 53.852 54.000 0.059 0.000 0.967 201 D CB 0.509 41.336 40.800 0.044 0.000 1.139 201 D HN 0.646 nan 8.370 nan 0.000 0.466 202 N N -1.213 117.568 118.700 0.134 0.000 2.765 202 N HA -0.223 4.517 4.740 -0.000 0.000 0.248 202 N C -1.092 174.596 175.510 0.296 0.000 1.063 202 N CA 1.427 54.617 53.050 0.234 0.000 0.862 202 N CB -1.075 37.501 38.487 0.149 0.000 1.145 202 N HN 0.744 nan 8.380 nan 0.000 0.581 203 A N -0.650 122.280 122.820 0.183 0.000 2.375 203 A HA 0.815 5.135 4.320 -0.000 0.000 0.295 203 A C 0.074 177.718 177.584 0.100 0.000 1.066 203 A CA 0.127 52.179 52.037 0.025 0.000 0.722 203 A CB 1.497 20.457 19.000 -0.067 0.000 1.206 203 A HN 0.367 nan 8.150 nan 0.000 0.435 204 A N 2.309 125.206 122.820 0.127 0.000 2.332 204 A HA 0.564 4.884 4.320 -0.000 0.000 0.258 204 A C 0.402 177.991 177.584 0.008 0.000 1.087 204 A CA -0.245 51.873 52.037 0.136 0.000 0.802 204 A CB 0.224 19.369 19.000 0.242 0.000 1.042 204 A HN 0.787 nan 8.150 nan 0.000 0.489 205 K N 0.037 120.449 120.400 0.019 0.000 2.295 205 K HA 0.490 4.810 4.320 -0.000 0.000 0.270 205 K C -0.830 175.774 176.600 0.006 0.000 1.011 205 K CA 0.002 56.280 56.287 -0.014 0.000 0.953 205 K CB 0.902 33.405 32.500 0.005 0.000 0.956 205 K HN 0.415 nan 8.250 nan 0.000 0.477 206 V N 0.864 120.768 119.914 -0.016 0.000 3.188 206 V HA 0.342 4.462 4.120 -0.000 0.000 0.305 206 V C -0.935 175.278 176.094 0.199 0.000 1.232 206 V CA -0.791 61.556 62.300 0.079 0.000 1.043 206 V CB 2.660 34.531 31.823 0.079 0.000 1.068 206 V HN 0.845 nan 8.190 nan 0.000 0.439 207 S N 1.374 117.261 115.700 0.312 0.000 2.632 207 S HA 0.842 5.312 4.470 -0.000 0.000 0.289 207 S C -1.436 173.363 174.600 0.331 0.000 1.115 207 S CA -0.540 57.891 58.200 0.385 0.000 0.889 207 S CB 2.114 65.440 63.200 0.209 0.000 1.116 207 S HN 0.566 nan 8.310 nan 0.000 0.486 208 L N 2.391 123.726 121.223 0.185 0.000 2.376 208 L HA 0.574 4.914 4.340 -0.000 0.000 0.275 208 L C -0.806 176.077 176.870 0.023 0.000 0.987 208 L CA -0.205 54.605 54.840 -0.051 0.000 0.828 208 L CB 1.278 42.971 42.059 -0.611 0.000 1.249 208 L HN 0.505 nan 8.230 nan 0.000 0.409 209 K N 6.244 126.673 120.400 0.049 0.000 2.274 209 K HA 0.483 4.803 4.320 -0.000 0.000 0.262 209 K C -0.710 175.936 176.600 0.076 0.000 0.961 209 K CA -0.546 55.785 56.287 0.074 0.000 0.833 209 K CB 0.963 33.517 32.500 0.089 0.000 1.102 209 K HN 0.696 nan 8.250 nan 0.000 0.436 210 L N 2.148 123.402 121.223 0.052 0.000 2.475 210 L HA 0.125 4.465 4.340 -0.000 0.000 0.212 210 L C 1.470 178.400 176.870 0.101 0.000 1.204 210 L CA -0.011 54.854 54.840 0.041 0.000 0.843 210 L CB 0.006 42.079 42.059 0.024 0.000 1.360 210 L HN 0.717 nan 8.230 nan 0.000 0.527 211 E N -0.675 119.580 120.200 0.091 0.000 2.368 211 E HA -0.049 4.301 4.350 -0.000 0.000 0.188 211 E C -0.047 176.593 176.600 0.066 0.000 1.061 211 E CA 0.124 56.590 56.400 0.110 0.000 0.933 211 E CB -0.043 29.726 29.700 0.115 0.000 1.091 211 E HN 0.687 nan 8.360 nan 0.000 0.458 212 D N -0.955 119.477 120.400 0.054 0.000 2.473 212 D HA 0.141 4.781 4.640 -0.000 0.000 0.230 212 D C 1.408 177.726 176.300 0.030 0.000 1.097 212 D CA 0.691 54.712 54.000 0.034 0.000 0.861 212 D CB 0.496 41.314 40.800 0.029 0.000 1.114 212 D HN 0.298 nan 8.370 nan 0.000 0.500 213 G N 0.978 109.802 108.800 0.040 0.000 2.909 213 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.198 213 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.198 213 G C 0.320 175.241 174.900 0.034 0.000 1.124 213 G CA 0.172 45.290 45.100 0.029 0.000 0.796 213 G HN 0.703 nan 8.290 nan 0.000 0.489 214 S N 1.930 117.652 115.700 0.036 0.000 2.554 214 S HA 0.378 4.848 4.470 -0.000 0.000 0.290 214 S C 0.059 174.690 174.600 0.052 0.000 1.309 214 S CA 0.268 58.491 58.200 0.038 0.000 1.047 214 S CB 1.032 64.255 63.200 0.039 0.000 0.828 214 S HN 0.499 nan 8.310 nan 0.000 0.509 215 Q N 1.610 121.438 119.800 0.048 0.000 2.294 215 Q HA 0.212 4.552 4.340 -0.000 0.000 0.257 215 Q C -0.835 175.213 176.000 0.080 0.000 0.955 215 Q CA -0.276 55.563 55.803 0.060 0.000 0.936 215 Q CB 0.829 29.590 28.738 0.038 0.000 1.188 215 Q HN 0.790 nan 8.270 nan 0.000 0.420 216 Y N 6.460 126.739 120.300 -0.036 0.000 2.650 216 Y HA 0.063 4.613 4.550 -0.000 0.000 0.342 216 Y C -1.410 174.492 175.900 0.004 0.000 1.110 216 Y CA -1.891 56.180 58.100 -0.048 0.000 1.438 216 Y CB 0.755 39.128 38.460 -0.146 0.000 1.181 216 Y HN 0.426 nan 8.280 nan 0.000 0.526 217 P HA 0.034 nan 4.420 nan 0.000 0.258 217 P C 0.110 177.220 177.300 -0.315 0.000 1.559 217 P CA 0.798 63.733 63.100 -0.274 0.000 0.855 217 P CB 0.077 31.644 31.700 -0.221 0.000 1.594 218 L N -1.500 119.508 121.223 -0.358 0.000 2.746 218 L HA 0.232 4.572 4.340 -0.000 0.000 0.230 218 L C 0.555 177.499 176.870 0.124 0.000 1.034 218 L CA -0.053 54.697 54.840 -0.150 0.000 0.922 218 L CB 0.166 42.079 42.059 -0.243 0.000 1.496 218 L HN 0.069 nan 8.230 nan 0.000 0.498 219 E N 0.486 120.925 120.200 0.397 0.000 8.064 219 E HA -0.064 4.285 4.350 -0.000 0.000 0.466 219 E C -0.926 175.710 176.600 0.060 0.000 0.773 219 E CA 0.476 57.105 56.400 0.383 0.000 1.348 219 E CB -0.685 29.114 29.700 0.165 0.000 0.986 219 E HN 0.244 nan 8.360 nan 0.000 0.265 220 G N 2.600 111.114 108.800 -0.477 0.000 2.600 220 G HA2 0.530 4.490 3.960 -0.000 0.000 0.293 220 G HA3 0.530 4.490 3.960 -0.000 0.000 0.293 220 G C -0.805 173.748 174.900 -0.579 0.000 1.408 220 G CA -0.470 44.261 45.100 -0.615 0.000 0.782 220 G HN 0.564 nan 8.290 nan 0.000 0.482 221 R N -1.479 118.796 120.500 -0.376 0.000 2.980 221 R HA 0.377 4.717 4.340 -0.000 0.000 0.285 221 R C -0.779 175.354 176.300 -0.277 0.000 1.072 221 R CA -0.010 55.942 56.100 -0.247 0.000 1.203 221 R CB 0.165 30.373 30.300 -0.154 0.000 1.163 221 R HN 0.413 nan 8.270 nan 0.000 0.545 222 L N 1.006 122.077 121.223 -0.252 0.000 2.628 222 L HA 0.183 4.522 4.340 -0.000 0.000 0.258 222 L C -1.289 175.241 176.870 -0.567 0.000 1.027 222 L CA -0.268 54.359 54.840 -0.355 0.000 0.910 222 L CB 1.405 43.251 42.059 -0.355 0.000 1.157 222 L HN 0.423 nan 8.230 nan 0.000 0.452 223 E N 3.740 123.710 120.200 -0.383 0.000 2.360 223 E HA 0.120 4.470 4.350 -0.000 0.000 0.269 223 E C 0.107 176.461 176.600 -0.410 0.000 1.022 223 E CA 0.220 56.435 56.400 -0.309 0.000 0.887 223 E CB 0.522 30.139 29.700 -0.138 0.000 0.990 223 E HN 0.557 nan 8.360 nan 0.000 0.426 224 F N 0.212 120.154 119.950 -0.013 0.000 2.727 224 F HA 0.031 4.558 4.527 -0.000 0.000 0.302 224 F C 1.466 177.255 175.800 -0.018 0.000 1.097 224 F CA -0.213 57.779 58.000 -0.013 0.000 1.330 224 F CB 0.633 39.629 39.000 -0.007 0.000 1.084 224 F HN 0.162 nan 8.300 nan 0.000 0.578 225 S N 1.919 117.668 115.700 0.082 0.000 2.509 225 S HA 0.042 4.512 4.470 -0.000 0.000 0.287 225 S C 0.093 174.694 174.600 0.001 0.000 1.248 225 S CA -0.729 57.491 58.200 0.034 0.000 1.089 225 S CB -0.294 62.907 63.200 0.003 0.000 0.900 225 S HN 0.377 nan 8.310 nan 0.000 0.496 226 E N 4.038 124.245 120.200 0.012 0.000 2.360 226 E HA 0.207 4.557 4.350 -0.000 0.000 0.269 226 E C 0.503 177.080 176.600 -0.038 0.000 1.022 226 E CA -0.582 55.814 56.400 -0.007 0.000 0.887 226 E CB 0.659 30.362 29.700 0.006 0.000 0.990 226 E HN 0.235 nan 8.360 nan 0.000 0.426 227 V N 2.013 121.891 119.914 -0.061 0.000 2.521 227 V HA 0.060 4.180 4.120 -0.000 0.000 0.239 227 V C 0.626 176.684 176.094 -0.060 0.000 1.053 227 V CA 1.383 63.632 62.300 -0.084 0.000 1.073 227 V CB -0.035 31.704 31.823 -0.139 0.000 0.746 227 V HN 0.861 nan 8.190 nan 0.000 0.476 228 S N -0.105 115.565 115.700 -0.050 0.000 2.595 228 S HA 0.761 5.231 4.470 -0.000 0.000 0.281 228 S C -1.014 173.572 174.600 -0.022 0.000 1.117 228 S CA -0.559 57.621 58.200 -0.035 0.000 0.873 228 S CB 2.148 65.327 63.200 -0.036 0.000 1.108 228 S HN 0.444 nan 8.310 nan 0.000 0.477 229 V N -0.679 119.225 119.914 -0.016 0.000 2.588 229 V HA 0.596 4.716 4.120 -0.000 0.000 0.304 229 V C -0.934 175.155 176.094 -0.008 0.000 1.042 229 V CA -0.743 61.552 62.300 -0.008 0.000 0.877 229 V CB 1.566 33.386 31.823 -0.005 0.000 0.996 229 V HN 0.955 nan 8.190 nan 0.000 0.425 230 D N 3.328 123.725 120.400 -0.005 0.000 2.374 230 D HA 0.108 4.748 4.640 -0.000 0.000 0.240 230 D C 0.873 177.172 176.300 -0.001 0.000 1.229 230 D CA 0.229 54.227 54.000 -0.003 0.000 0.895 230 D CB 1.410 42.209 40.800 -0.001 0.000 1.046 230 D HN 0.838 nan 8.370 nan 0.000 0.498 231 E N 2.261 122.460 120.200 -0.002 0.000 2.516 231 E HA -0.041 4.309 4.350 -0.000 0.000 0.199 231 E C 1.179 177.779 176.600 -0.000 0.000 1.069 231 E CA 0.174 56.573 56.400 -0.001 0.000 0.876 231 E CB 0.364 30.063 29.700 -0.003 0.000 0.843 231 E HN 0.687 nan 8.360 nan 0.000 0.530 232 G N -0.288 108.512 108.800 0.000 0.000 2.688 232 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.214 232 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.214 232 G C 1.400 176.302 174.900 0.003 0.000 1.211 232 G CA 0.431 45.531 45.100 0.001 0.000 0.853 232 G HN 0.176 nan 8.290 nan 0.000 0.591 233 T N 1.274 115.830 114.554 0.003 0.000 3.155 233 T HA 0.239 4.589 4.350 -0.000 0.000 0.264 233 T C 2.004 176.708 174.700 0.006 0.000 1.160 233 T CA 1.338 63.441 62.100 0.006 0.000 1.075 233 T CB -0.445 68.427 68.868 0.007 0.000 0.921 233 T HN 0.965 nan 8.240 nan 0.000 0.533 234 G N 1.852 110.654 108.800 0.005 0.000 2.284 234 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.268 234 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.268 234 G C 0.659 175.563 174.900 0.007 0.000 0.980 234 G CA 0.779 45.883 45.100 0.005 0.000 0.631 234 G HN 0.873 nan 8.290 nan 0.000 0.548 235 S N -0.999 114.705 115.700 0.008 0.000 2.617 235 S HA 0.672 5.142 4.470 -0.000 0.000 0.259 235 S C -0.025 174.579 174.600 0.008 0.000 1.301 235 S CA 0.135 58.341 58.200 0.010 0.000 0.984 235 S CB 2.290 65.497 63.200 0.011 0.000 0.954 235 S HN 1.236 nan 8.310 nan 0.000 0.572 236 V N 0.538 120.459 119.914 0.011 0.000 2.888 236 V HA 0.540 4.660 4.120 -0.000 0.000 0.309 236 V C -0.452 175.644 176.094 0.004 0.000 1.114 236 V CA -0.742 61.563 62.300 0.008 0.000 0.940 236 V CB 2.164 33.999 31.823 0.019 0.000 1.021 236 V HN 1.073 nan 8.190 nan 0.000 0.426 237 T N 5.433 119.980 114.554 -0.012 0.000 2.829 237 T HA 0.825 5.174 4.350 -0.000 0.000 0.280 237 T C -0.360 174.312 174.700 -0.047 0.000 0.999 237 T CA -0.231 61.852 62.100 -0.029 0.000 0.983 237 T CB 1.270 70.112 68.868 -0.044 0.000 0.968 237 T HN 0.697 nan 8.240 nan 0.000 0.446 238 I N 0.019 120.554 120.570 -0.058 0.000 3.322 238 I HA 0.868 5.038 4.170 -0.000 0.000 0.313 238 I C -1.080 174.957 176.117 -0.133 0.000 1.129 238 I CA -1.831 59.410 61.300 -0.098 0.000 0.963 238 I CB 2.293 40.247 38.000 -0.077 0.000 1.273 238 I HN 0.554 nan 8.210 nan 0.000 0.473 239 R N 1.590 121.980 120.500 -0.182 0.000 2.651 239 R HA 0.882 5.222 4.340 -0.000 0.000 0.278 239 R C -1.243 175.001 176.300 -0.093 0.000 1.010 239 R CA -0.875 55.130 56.100 -0.159 0.000 0.896 239 R CB 1.783 31.861 30.300 -0.370 0.000 1.211 239 R HN 0.858 nan 8.270 nan 0.000 0.456 240 A N 1.768 124.600 122.820 0.020 0.000 2.264 240 A HA 0.656 4.976 4.320 -0.000 0.000 0.304 240 A C -0.401 177.264 177.584 0.136 0.000 1.100 240 A CA -0.778 51.264 52.037 0.008 0.000 0.839 240 A CB 1.255 20.304 19.000 0.081 0.000 1.121 240 A HN 0.438 nan 8.150 nan 0.000 0.496 241 V N 1.560 121.436 119.914 -0.064 0.000 2.385 241 V HA 0.324 4.444 4.120 -0.000 0.000 0.277 241 V C -1.299 174.675 176.094 -0.201 0.000 1.012 241 V CA -0.147 62.162 62.300 0.015 0.000 0.832 241 V CB -0.090 31.771 31.823 0.063 0.000 1.028 241 V HN 0.642 nan 8.190 nan 0.000 0.436 242 F N 4.857 124.803 119.950 -0.007 0.000 2.394 242 F HA 0.578 5.105 4.527 -0.000 0.000 0.340 242 F C -1.992 173.797 175.800 -0.018 0.000 1.105 242 F CA -2.713 55.299 58.000 0.020 0.000 1.124 242 F CB 1.159 40.173 39.000 0.024 0.000 1.145 242 F HN 0.262 nan 8.300 nan 0.000 0.505 243 P HA 0.052 nan 4.420 nan 0.000 0.268 243 P C -0.690 176.737 177.300 0.211 0.000 1.205 243 P CA 0.019 63.179 63.100 0.100 0.000 0.771 243 P CB 0.475 32.218 31.700 0.071 0.000 0.858 244 N N 3.352 122.110 118.700 0.098 0.000 2.750 244 N HA 0.246 4.986 4.740 -0.000 0.000 0.253 244 N C -2.350 173.194 175.510 0.057 0.000 1.408 244 N CA -2.028 51.095 53.050 0.123 0.000 0.780 244 N CB 0.615 39.120 38.487 0.031 0.000 1.191 244 N HN 0.098 nan 8.380 nan 0.000 0.511 245 P HA 0.249 nan 4.420 nan 0.000 0.264 245 P C -0.251 177.060 177.300 0.020 0.000 1.259 245 P CA 0.393 63.504 63.100 0.019 0.000 0.841 245 P CB 0.502 32.208 31.700 0.009 0.000 1.232 246 N N 0.330 119.053 118.700 0.039 0.000 2.338 246 N HA 0.043 4.782 4.740 -0.000 0.000 0.251 246 N C 0.105 175.636 175.510 0.036 0.000 1.199 246 N CA -0.256 52.813 53.050 0.031 0.000 0.879 246 N CB -0.395 38.110 38.487 0.029 0.000 1.159 246 N HN -0.078 nan 8.380 nan 0.000 0.514 247 N N 1.902 120.621 118.700 0.032 0.000 2.701 247 N HA -0.198 4.542 4.740 -0.000 0.000 0.250 247 N C 0.523 176.050 175.510 0.027 0.000 1.046 247 N CA 0.650 53.712 53.050 0.020 0.000 0.733 247 N CB -0.440 38.051 38.487 0.007 0.000 0.973 247 N HN 0.524 nan 8.380 nan 0.000 0.541 248 E N -0.610 119.627 120.200 0.062 0.000 2.107 248 E HA -0.007 4.343 4.350 -0.000 0.000 0.191 248 E C 0.546 177.156 176.600 0.016 0.000 0.982 248 E CA 0.639 57.084 56.400 0.076 0.000 0.809 248 E CB 0.190 30.003 29.700 0.188 0.000 0.756 248 E HN 0.425 nan 8.360 nan 0.000 0.459 249 L N 1.688 122.887 121.223 -0.040 0.000 2.307 249 L HA 0.385 4.725 4.340 -0.000 0.000 0.282 249 L C -0.477 176.341 176.870 -0.088 0.000 1.051 249 L CA -0.427 54.333 54.840 -0.133 0.000 0.804 249 L CB 0.969 42.849 42.059 -0.298 0.000 1.197 249 L HN 0.008 nan 8.230 nan 0.000 0.431 250 L N 4.068 125.242 121.223 -0.081 0.000 2.354 250 L HA 0.589 4.929 4.340 -0.000 0.000 0.264 250 L C -2.311 174.518 176.870 -0.068 0.000 1.008 250 L CA -1.969 52.837 54.840 -0.057 0.000 0.819 250 L CB 2.311 44.350 42.059 -0.034 0.000 1.339 250 L HN 0.333 nan 8.230 nan 0.000 0.420 251 P HA 0.115 nan 4.420 nan 0.000 0.271 251 P C 0.598 177.844 177.300 -0.089 0.000 1.233 251 P CA 0.349 63.410 63.100 -0.065 0.000 0.789 251 P CB 0.545 32.220 31.700 -0.043 0.000 0.951 252 G N -0.469 108.251 108.800 -0.133 0.000 2.166 252 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.260 252 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.260 252 G C 0.104 174.840 174.900 -0.272 0.000 0.986 252 G CA 0.001 44.975 45.100 -0.210 0.000 0.683 252 G HN 0.429 nan 8.290 nan 0.000 0.527 253 M N 0.150 119.632 119.600 -0.197 0.000 2.200 253 M HA 0.495 4.975 4.480 -0.000 0.000 0.355 253 M C 0.205 176.376 176.300 -0.214 0.000 1.283 253 M CA -0.235 54.988 55.300 -0.128 0.000 1.124 253 M CB 0.290 32.836 32.600 -0.089 0.000 1.625 253 M HN 0.089 nan 8.290 nan 0.000 0.463 254 F N 2.698 122.606 119.950 -0.071 0.000 2.456 254 F HA 0.479 5.006 4.527 -0.000 0.000 0.358 254 F C 0.305 176.029 175.800 -0.127 0.000 1.095 254 F CA -0.145 57.796 58.000 -0.097 0.000 1.216 254 F CB 0.398 39.355 39.000 -0.071 0.000 1.125 254 F HN 0.266 nan 8.300 nan 0.000 0.549 255 V N 2.763 122.637 119.914 -0.066 0.000 3.258 255 V HA 0.439 4.559 4.120 -0.000 0.000 0.299 255 V C -1.454 174.447 176.094 -0.322 0.000 1.376 255 V CA -0.717 61.506 62.300 -0.130 0.000 1.063 255 V CB 2.704 34.443 31.823 -0.141 0.000 1.103 255 V HN 0.691 nan 8.190 nan 0.000 0.451 256 H N 1.680 120.747 119.070 -0.004 0.000 2.744 256 H HA 0.716 5.272 4.556 -0.000 0.000 0.339 256 H C -0.164 175.180 175.328 0.026 0.000 1.004 256 H CA 0.142 56.203 56.048 0.021 0.000 1.257 256 H CB 1.885 31.665 29.762 0.030 0.000 1.552 256 H HN 0.878 nan 8.280 nan 0.000 0.522 257 A N 3.587 126.507 122.820 0.168 0.000 2.306 257 A HA 0.503 4.823 4.320 -0.000 0.000 0.314 257 A C -0.045 177.647 177.584 0.180 0.000 1.164 257 A CA -0.487 51.661 52.037 0.185 0.000 0.822 257 A CB 1.037 20.143 19.000 0.176 0.000 1.130 257 A HN 0.751 nan 8.150 nan 0.000 0.496 258 Q N 0.000 119.907 119.800 0.179 0.000 2.315 258 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 258 Q CA 0.000 55.886 55.803 0.137 0.000 1.022 258 Q CB 0.000 28.812 28.738 0.123 0.000 1.108 258 Q HN 0.000 nan 8.270 nan 0.000 0.481