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 3bfd_1_D DATA FIRST_RESID 25 DATA SEQUENCE DVQQVQKKLA ALEKQSGGRL GVALINTADN SQVXLYRADE RFAMcSTSKV DATA SEQUENCE MTAAAVLKQS ETHDGILQQK MTIKKADLTN WNPVTEKYVG NTMTLAELSA DATA SEQUENCE ATLQYSDNTA MNKLLAHLGG PGNVTAFARS IGDTTFRLDR KEPELNTAIP DATA SEQUENCE GDERDTTSPL AMAKSLRKLT LGDALAGPQR AQLVDWLKGN TTGGQSIRAG DATA SEQUENCE LPAHWVVGDK TGAcXDYGTT NDIAVIWPXE DRAPLVLVTY FTQPQQDAKW DATA SEQUENCE RKDVLAAAAK IVTEGK 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 25 D HA 0.000 nan 4.640 nan 0.000 0.175 25 D C 0.000 176.308 176.300 0.013 0.000 2.045 25 D CA 0.000 54.007 54.000 0.011 0.000 0.868 25 D CB 0.000 40.806 40.800 0.010 0.000 0.688 26 V N 1.464 121.387 119.914 0.015 0.000 2.547 26 V HA -0.494 3.626 4.120 -0.000 0.000 0.206 26 V C 2.574 178.683 176.094 0.025 0.000 1.055 26 V CA 3.002 65.313 62.300 0.019 0.000 1.058 26 V CB -1.342 30.491 31.823 0.018 0.000 1.093 26 V HN 0.638 nan 8.190 nan 0.000 0.477 27 Q N -1.351 118.463 119.800 0.023 0.000 2.135 27 Q HA -0.282 4.058 4.340 -0.000 0.000 0.204 27 Q C 2.374 178.389 176.000 0.025 0.000 0.981 27 Q CA 2.247 58.066 55.803 0.027 0.000 0.856 27 Q CB -0.164 28.587 28.738 0.021 0.000 0.902 27 Q HN 0.794 nan 8.270 nan 0.000 0.425 28 Q N -0.529 119.282 119.800 0.017 0.000 2.172 28 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 28 Q C 2.183 178.186 176.000 0.006 0.000 0.964 28 Q CA 1.023 56.833 55.803 0.011 0.000 0.855 28 Q CB 0.136 28.877 28.738 0.006 0.000 0.918 28 Q HN 0.191 nan 8.270 nan 0.000 0.444 29 V N 1.111 121.030 119.914 0.008 0.000 2.295 29 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 29 V C 2.309 178.404 176.094 0.002 0.000 1.049 29 V CA 1.658 63.958 62.300 -0.000 0.000 1.024 29 V CB -0.485 31.343 31.823 0.008 0.000 0.648 29 V HN 0.373 nan 8.190 nan 0.000 0.447 30 Q N -0.059 119.765 119.800 0.040 0.000 2.084 30 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 30 Q C 2.303 178.343 176.000 0.067 0.000 0.978 30 Q CA 1.803 57.660 55.803 0.091 0.000 0.844 30 Q CB -0.399 28.408 28.738 0.116 0.000 0.898 30 Q HN 0.652 nan 8.270 nan 0.000 0.426 31 K N 1.028 121.453 120.400 0.041 0.000 2.057 31 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 31 K C 1.908 178.506 176.600 -0.005 0.000 1.049 31 K CA 1.221 57.526 56.287 0.030 0.000 0.931 31 K CB 0.107 32.620 32.500 0.022 0.000 0.714 31 K HN 0.024 nan 8.250 nan 0.000 0.440 32 K N 0.472 120.855 120.400 -0.028 0.000 2.097 32 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 32 K C 2.133 178.665 176.600 -0.113 0.000 1.050 32 K CA 1.113 57.366 56.287 -0.056 0.000 0.938 32 K CB -0.042 32.427 32.500 -0.052 0.000 0.718 32 K HN 0.169 nan 8.250 nan 0.000 0.442 33 L N 0.349 121.466 121.223 -0.177 0.000 2.093 33 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 33 L C 2.571 179.170 176.870 -0.451 0.000 1.085 33 L CA 0.965 55.567 54.840 -0.397 0.000 0.755 33 L CB -0.527 41.163 42.059 -0.615 0.000 0.904 33 L HN 0.192 nan 8.230 nan 0.000 0.435 34 A N 0.082 122.778 122.820 -0.207 0.000 1.898 34 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 34 A C 2.533 180.121 177.584 0.006 0.000 1.181 34 A CA 1.620 53.671 52.037 0.024 0.000 0.620 34 A CB -0.635 18.464 19.000 0.165 0.000 0.819 34 A HN 0.385 nan 8.150 nan 0.000 0.442 35 A N -0.385 122.422 122.820 -0.021 0.000 1.902 35 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 35 A C 2.135 179.702 177.584 -0.029 0.000 1.181 35 A CA 1.761 53.791 52.037 -0.012 0.000 0.623 35 A CB -0.653 18.336 19.000 -0.018 0.000 0.818 35 A HN 0.730 nan 8.150 nan 0.000 0.443 36 L N 0.222 121.400 121.223 -0.075 0.000 2.017 36 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 36 L C 2.272 179.108 176.870 -0.057 0.000 1.073 36 L CA 2.787 57.573 54.840 -0.090 0.000 0.745 36 L CB -0.749 41.223 42.059 -0.146 0.000 0.894 36 L HN 0.621 nan 8.230 nan 0.000 0.432 37 E N -0.451 119.726 120.200 -0.038 0.000 2.058 37 E HA -0.314 4.036 4.350 -0.000 0.000 0.194 37 E C 2.296 178.973 176.600 0.128 0.000 0.997 37 E CA 1.606 58.062 56.400 0.093 0.000 0.801 37 E CB -0.197 29.602 29.700 0.164 0.000 0.746 37 E HN 0.542 nan 8.360 nan 0.000 0.450 38 K N 0.168 120.622 120.400 0.089 0.000 2.026 38 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 38 K C 2.233 178.875 176.600 0.071 0.000 1.048 38 K CA 1.787 58.125 56.287 0.084 0.000 0.929 38 K CB -0.020 32.518 32.500 0.063 0.000 0.713 38 K HN 0.192 nan 8.250 nan 0.000 0.439 39 Q N 0.015 119.841 119.800 0.043 0.000 2.226 39 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 39 Q C 2.054 178.083 176.000 0.048 0.000 0.975 39 Q CA 1.719 57.541 55.803 0.031 0.000 0.866 39 Q CB 0.059 28.797 28.738 0.001 0.000 0.915 39 Q HN 0.438 nan 8.270 nan 0.000 0.440 40 S N -1.309 114.434 115.700 0.071 0.000 2.446 40 S HA 0.081 4.551 4.470 -0.000 0.000 0.225 40 S C 1.644 176.392 174.600 0.247 0.000 1.016 40 S CA 0.571 58.849 58.200 0.130 0.000 0.943 40 S CB 0.173 63.416 63.200 0.070 0.000 0.786 40 S HN 0.508 nan 8.310 nan 0.000 0.508 41 G N 0.342 109.265 108.800 0.206 0.000 2.162 41 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.260 41 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.260 41 G C 0.405 175.415 174.900 0.183 0.000 0.976 41 G CA 0.217 45.419 45.100 0.169 0.000 0.655 41 G HN 1.140 nan 8.290 nan 0.000 0.533 42 G N -1.118 107.863 108.800 0.302 0.000 3.217 42 G HA2 0.704 4.664 3.960 -0.000 0.000 0.213 42 G HA3 0.704 4.664 3.960 -0.000 0.000 0.213 42 G C -0.429 174.571 174.900 0.167 0.000 1.294 42 G CA -0.290 44.863 45.100 0.089 0.000 0.987 42 G HN 0.581 nan 8.290 nan 0.000 0.584 43 R N -0.454 120.056 120.500 0.017 0.000 2.393 43 R HA 0.558 4.897 4.340 -0.000 0.000 0.315 43 R C -1.560 175.040 176.300 0.501 0.000 0.952 43 R CA -0.614 55.623 56.100 0.228 0.000 0.842 43 R CB 1.241 31.593 30.300 0.086 0.000 1.163 43 R HN 0.343 nan 8.270 nan 0.000 0.450 44 L N 3.564 125.150 121.223 0.606 0.000 2.295 44 L HA 0.687 5.027 4.340 -0.000 0.000 0.285 44 L C -0.575 176.613 176.870 0.529 0.000 1.035 44 L CA 0.015 55.205 54.840 0.583 0.000 0.806 44 L CB 1.934 44.206 42.059 0.355 0.000 1.214 44 L HN 0.740 nan 8.230 nan 0.000 0.426 45 G N 4.547 113.433 108.800 0.144 0.000 2.557 45 G HA2 0.634 4.594 3.960 -0.000 0.000 0.310 45 G HA3 0.634 4.594 3.960 -0.000 0.000 0.310 45 G C -1.809 173.026 174.900 -0.107 0.000 1.328 45 G CA -0.386 44.662 45.100 -0.086 0.000 0.945 45 G HN 0.538 nan 8.290 nan 0.000 0.494 46 V N 0.767 120.698 119.914 0.028 0.000 2.760 46 V HA 0.854 4.974 4.120 -0.000 0.000 0.309 46 V C -0.205 175.874 176.094 -0.025 0.000 1.077 46 V CA -0.776 61.505 62.300 -0.031 0.000 0.910 46 V CB 1.870 33.700 31.823 0.012 0.000 1.008 46 V HN 1.262 nan 8.190 nan 0.000 0.424 47 A N 4.433 127.200 122.820 -0.088 0.000 2.414 47 A HA 0.837 5.157 4.320 -0.000 0.000 0.286 47 A C -1.595 175.942 177.584 -0.078 0.000 1.073 47 A CA -0.380 51.615 52.037 -0.070 0.000 0.727 47 A CB 1.327 20.271 19.000 -0.092 0.000 1.215 47 A HN 0.923 nan 8.150 nan 0.000 0.430 48 L N 3.671 124.864 121.223 -0.052 0.000 2.333 48 L HA 0.774 5.114 4.340 -0.000 0.000 0.280 48 L C -1.169 175.667 176.870 -0.057 0.000 1.004 48 L CA -0.335 54.471 54.840 -0.058 0.000 0.820 48 L CB 1.088 43.123 42.059 -0.040 0.000 1.247 48 L HN 0.586 nan 8.230 nan 0.000 0.416 49 I N 4.802 125.327 120.570 -0.075 0.000 2.389 49 I HA 0.358 4.528 4.170 -0.000 0.000 0.288 49 I C -0.425 175.637 176.117 -0.091 0.000 0.999 49 I CA -0.601 60.655 61.300 -0.074 0.000 1.129 49 I CB 1.560 39.514 38.000 -0.077 0.000 1.288 49 I HN 0.573 nan 8.210 nan 0.000 0.444 50 N N 4.491 123.144 118.700 -0.078 0.000 2.462 50 N HA 0.080 4.820 4.740 -0.000 0.000 0.242 50 N C 1.030 176.487 175.510 -0.088 0.000 1.010 50 N CA -0.214 52.781 53.050 -0.090 0.000 0.939 50 N CB 1.254 39.700 38.487 -0.068 0.000 1.127 50 N HN 0.711 nan 8.380 nan 0.000 0.509 51 T N 0.426 114.912 114.554 -0.112 0.000 3.155 51 T HA -0.015 4.335 4.350 -0.000 0.000 0.264 51 T C 1.557 176.214 174.700 -0.072 0.000 1.160 51 T CA 0.780 62.824 62.100 -0.092 0.000 1.075 51 T CB -0.012 68.790 68.868 -0.110 0.000 0.921 51 T HN 0.373 nan 8.240 nan 0.000 0.533 52 A N 2.668 125.444 122.820 -0.074 0.000 1.929 52 A HA 0.046 4.366 4.320 -0.000 0.000 0.216 52 A C 1.879 179.439 177.584 -0.041 0.000 1.176 52 A CA 1.423 53.426 52.037 -0.056 0.000 0.628 52 A CB -0.248 18.717 19.000 -0.059 0.000 0.816 52 A HN 0.740 nan 8.150 nan 0.000 0.444 53 D N -4.251 116.125 120.400 -0.040 0.000 2.538 53 D HA 0.100 4.740 4.640 -0.000 0.000 0.241 53 D C 0.182 176.464 176.300 -0.030 0.000 1.297 53 D CA 0.131 54.113 54.000 -0.030 0.000 0.804 53 D CB -1.251 39.535 40.800 -0.025 0.000 1.122 53 D HN 0.471 nan 8.370 nan 0.000 0.519 54 N N -0.164 118.513 118.700 -0.038 0.000 2.828 54 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 54 N C -0.428 175.062 175.510 -0.032 0.000 1.044 54 N CA 0.655 53.683 53.050 -0.037 0.000 0.851 54 N CB -1.032 37.437 38.487 -0.030 0.000 1.136 54 N HN 0.470 nan 8.380 nan 0.000 0.572 55 S N 0.208 115.890 115.700 -0.031 0.000 2.589 55 S HA 0.326 4.796 4.470 -0.000 0.000 0.265 55 S C -0.043 174.541 174.600 -0.027 0.000 1.342 55 S CA -0.129 58.056 58.200 -0.024 0.000 1.005 55 S CB 1.462 64.650 63.200 -0.020 0.000 0.909 55 S HN 0.230 nan 8.310 nan 0.000 0.555 56 Q N 0.187 119.976 119.800 -0.018 0.000 2.331 56 Q HA 0.664 5.004 4.340 -0.000 0.000 0.272 56 Q C -1.253 174.743 176.000 -0.006 0.000 1.062 56 Q CA -0.935 54.857 55.803 -0.018 0.000 0.806 56 Q CB 2.162 30.889 28.738 -0.017 0.000 1.312 56 Q HN 0.527 nan 8.270 nan 0.000 0.431 60 Y N 2.428 122.737 120.300 0.015 0.000 2.287 60 Y HA 0.419 4.969 4.550 -0.000 0.000 0.325 60 Y C 0.242 176.189 175.900 0.079 0.000 1.139 60 Y CA -0.580 57.544 58.100 0.041 0.000 1.167 60 Y CB 1.146 39.627 38.460 0.036 0.000 1.158 60 Y HN 0.616 nan 8.280 nan 0.000 0.434 61 R N 2.674 123.068 120.500 -0.177 0.000 3.641 61 R HA -0.277 4.063 4.340 -0.000 0.000 0.286 61 R C 1.041 177.430 176.300 0.149 0.000 1.153 61 R CA 0.730 56.831 56.100 0.001 0.000 0.775 61 R CB -1.550 28.835 30.300 0.142 0.000 1.215 61 R HN 0.681 nan 8.270 nan 0.000 0.474 62 A N 0.330 123.197 122.820 0.078 0.000 2.070 62 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 62 A C 1.490 179.129 177.584 0.092 0.000 1.159 62 A CA 1.541 53.621 52.037 0.072 0.000 0.656 62 A CB 0.014 19.032 19.000 0.030 0.000 0.800 62 A HN 0.344 nan 8.150 nan 0.000 0.453 63 D N -0.286 120.165 120.400 0.085 0.000 2.349 63 D HA 0.076 4.716 4.640 -0.000 0.000 0.214 63 D C 0.107 176.469 176.300 0.102 0.000 1.063 63 D CA 0.057 54.104 54.000 0.077 0.000 0.847 63 D CB 0.188 41.010 40.800 0.037 0.000 0.933 63 D HN 0.588 nan 8.370 nan 0.000 0.513 64 E N 1.092 121.386 120.200 0.157 0.000 2.366 64 E HA 0.242 4.592 4.350 -0.000 0.000 0.266 64 E C 0.242 176.957 176.600 0.191 0.000 1.051 64 E CA -0.218 56.246 56.400 0.106 0.000 0.884 64 E CB 1.449 31.176 29.700 0.044 0.000 1.006 64 E HN -0.099 nan 8.360 nan 0.000 0.417 65 R N 1.569 122.070 120.500 0.003 0.000 2.410 65 R HA 0.417 4.757 4.340 -0.000 0.000 0.288 65 R C -0.855 175.370 176.300 -0.125 0.000 1.051 65 R CA -0.139 55.994 56.100 0.055 0.000 1.021 65 R CB 0.576 30.860 30.300 -0.027 0.000 1.032 65 R HN 0.313 nan 8.270 nan 0.000 0.481 66 F N -0.144 119.802 119.950 -0.007 0.000 2.613 66 F HA 0.406 4.933 4.527 -0.000 0.000 0.310 66 F C -0.011 175.660 175.800 -0.214 0.000 1.085 66 F CA -1.098 56.843 58.000 -0.100 0.000 0.945 66 F CB 1.597 40.547 39.000 -0.085 0.000 1.298 66 F HN 0.502 nan 8.300 nan 0.000 0.455 67 A N 3.123 125.911 122.820 -0.054 0.000 2.492 67 A HA 0.325 4.645 4.320 -0.000 0.000 0.254 67 A C 0.866 178.298 177.584 -0.253 0.000 1.091 67 A CA -0.180 51.781 52.037 -0.127 0.000 0.768 67 A CB 0.137 19.083 19.000 -0.090 0.000 1.028 67 A HN 0.945 nan 8.150 nan 0.000 0.498 68 M N 1.468 120.920 119.600 -0.248 0.000 2.394 68 M HA -0.034 4.446 4.480 -0.000 0.000 0.264 68 M C 1.093 177.278 176.300 -0.192 0.000 1.073 68 M CA 0.564 55.694 55.300 -0.285 0.000 1.111 68 M CB -0.983 31.542 32.600 -0.124 0.000 1.401 68 M HN 0.875 nan 8.290 nan 0.000 0.448 69 c N -0.897 117.622 118.600 -0.134 0.000 0.168 69 c HA -0.264 4.306 4.570 -0.000 0.000 0.017 69 c C 2.114 176.171 174.090 -0.054 0.000 0.171 69 c CA 0.572 56.846 56.329 -0.091 0.000 0.499 69 c CB -1.795 40.638 42.510 -0.128 0.000 3.212 69 c HN 0.552 nan 8.230 nan 0.000 1.118 70 S N 0.981 116.647 115.700 -0.056 0.000 2.547 70 S HA -0.089 4.380 4.470 -0.000 0.000 0.235 70 S C 1.654 176.271 174.600 0.029 0.000 0.980 70 S CA 1.600 59.792 58.200 -0.013 0.000 0.941 70 S CB -0.471 62.706 63.200 -0.038 0.000 0.763 70 S HN 0.978 nan 8.310 nan 0.000 0.532 71 T N 0.323 114.901 114.554 0.040 0.000 3.007 71 T HA -0.076 4.274 4.350 -0.000 0.000 0.270 71 T C 1.850 176.651 174.700 0.169 0.000 1.107 71 T CA 1.180 63.348 62.100 0.114 0.000 1.118 71 T CB -0.521 68.463 68.868 0.192 0.000 0.889 71 T HN 0.466 nan 8.240 nan 0.000 0.506 72 S N 1.409 117.204 115.700 0.158 0.000 2.474 72 S HA 0.011 4.481 4.470 -0.000 0.000 0.235 72 S C 1.851 176.590 174.600 0.232 0.000 0.997 72 S CA 0.341 58.701 58.200 0.266 0.000 0.949 72 S CB -0.459 62.840 63.200 0.165 0.000 0.766 72 S HN 0.575 nan 8.310 nan 0.000 0.517 73 K N 0.779 121.264 120.400 0.142 0.000 2.280 73 K HA 0.033 4.353 4.320 -0.000 0.000 0.202 73 K C 1.816 178.477 176.600 0.101 0.000 1.047 73 K CA 1.058 57.406 56.287 0.102 0.000 0.942 73 K CB -0.347 32.190 32.500 0.062 0.000 0.739 73 K HN 0.279 nan 8.250 nan 0.000 0.457 74 V N 0.944 120.935 119.914 0.129 0.000 2.307 74 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 74 V C 2.182 178.359 176.094 0.138 0.000 1.045 74 V CA 1.523 63.901 62.300 0.130 0.000 1.024 74 V CB -0.261 31.644 31.823 0.137 0.000 0.651 74 V HN 0.328 nan 8.190 nan 0.000 0.449 75 M N 0.074 119.766 119.600 0.154 0.000 2.279 75 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 75 M C 1.963 178.335 176.300 0.120 0.000 1.062 75 M CA 1.922 57.293 55.300 0.119 0.000 1.099 75 M CB -0.701 31.822 32.600 -0.128 0.000 1.394 75 M HN 0.358 nan 8.290 nan 0.000 0.426 76 T N 0.010 114.633 114.554 0.116 0.000 2.812 76 T HA 0.049 4.399 4.350 -0.000 0.000 0.264 76 T C 1.804 176.500 174.700 -0.007 0.000 1.042 76 T CA 1.367 63.505 62.100 0.064 0.000 1.140 76 T CB -0.544 68.375 68.868 0.086 0.000 0.870 76 T HN 0.511 nan 8.240 nan 0.000 0.445 77 A N 1.361 124.188 122.820 0.011 0.000 1.969 77 A HA 0.270 4.590 4.320 -0.000 0.000 0.218 77 A C 2.583 180.179 177.584 0.020 0.000 1.169 77 A CA 1.586 53.624 52.037 0.001 0.000 0.635 77 A CB -0.924 18.074 19.000 -0.003 0.000 0.810 77 A HN 0.484 nan 8.150 nan 0.000 0.445 78 A N -0.052 122.771 122.820 0.005 0.000 1.930 78 A HA 0.201 4.521 4.320 -0.000 0.000 0.217 78 A C 2.460 179.729 177.584 -0.526 0.000 1.175 78 A CA 1.826 53.829 52.037 -0.056 0.000 0.627 78 A CB -0.898 18.207 19.000 0.175 0.000 0.815 78 A HN 0.992 nan 8.150 nan 0.000 0.443 79 A N -0.440 121.914 122.820 -0.776 0.000 1.902 79 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 79 A C 2.217 179.522 177.584 -0.464 0.000 1.181 79 A CA 1.849 53.234 52.037 -1.088 0.000 0.623 79 A CB -0.877 17.797 19.000 -0.544 0.000 0.818 79 A HN 0.386 nan 8.150 nan 0.000 0.443 80 V N 0.062 119.850 119.914 -0.209 0.000 2.307 80 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 80 V C 2.548 178.617 176.094 -0.042 0.000 1.045 80 V CA 1.862 64.126 62.300 -0.060 0.000 1.024 80 V CB -0.814 30.998 31.823 -0.019 0.000 0.651 80 V HN 0.569 nan 8.190 nan 0.000 0.449 81 L N 0.063 121.267 121.223 -0.031 0.000 2.042 81 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 81 L C 2.636 179.495 176.870 -0.018 0.000 1.076 81 L CA 1.831 56.678 54.840 0.012 0.000 0.749 81 L CB -0.620 41.468 42.059 0.049 0.000 0.893 81 L HN 0.318 nan 8.230 nan 0.000 0.432 82 K N 0.463 120.802 120.400 -0.102 0.000 2.063 82 K HA -0.210 4.109 4.320 -0.000 0.000 0.208 82 K C 2.049 178.665 176.600 0.027 0.000 1.048 82 K CA 1.621 57.889 56.287 -0.032 0.000 0.928 82 K CB -0.261 32.182 32.500 -0.095 0.000 0.713 82 K HN 0.300 nan 8.250 nan 0.000 0.442 83 Q N 0.005 119.814 119.800 0.016 0.000 2.096 83 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 83 Q C 1.940 178.049 176.000 0.182 0.000 0.982 83 Q CA 1.905 57.783 55.803 0.126 0.000 0.850 83 Q CB -0.270 28.521 28.738 0.088 0.000 0.901 83 Q HN 0.580 nan 8.270 nan 0.000 0.422 84 S N 0.182 115.941 115.700 0.099 0.000 2.500 84 S HA -0.141 4.329 4.470 -0.000 0.000 0.239 84 S C 1.404 176.043 174.600 0.065 0.000 0.989 84 S CA 0.898 59.150 58.200 0.087 0.000 0.951 84 S CB -0.071 63.158 63.200 0.048 0.000 0.759 84 S HN 0.328 nan 8.310 nan 0.000 0.523 85 E N 0.447 120.683 120.200 0.060 0.000 2.216 85 E HA -0.021 4.329 4.350 -0.000 0.000 0.192 85 E C 1.522 178.126 176.600 0.007 0.000 0.988 85 E CA 1.335 57.755 56.400 0.032 0.000 0.834 85 E CB 0.032 29.755 29.700 0.039 0.000 0.772 85 E HN 0.620 nan 8.360 nan 0.000 0.479 86 T N -1.041 113.516 114.554 0.004 0.000 3.056 86 T HA 0.041 4.391 4.350 -0.000 0.000 0.241 86 T C -0.112 174.428 174.700 -0.267 0.000 1.006 86 T CA 0.216 62.227 62.100 -0.148 0.000 1.115 86 T CB 0.103 68.828 68.868 -0.237 0.000 0.939 86 T HN 0.080 nan 8.240 nan 0.000 0.462 87 H N 2.379 121.461 119.070 0.021 0.000 2.787 87 H HA 0.324 4.880 4.556 -0.000 0.000 0.275 87 H C -0.487 174.851 175.328 0.017 0.000 1.183 87 H CA -0.802 55.260 56.048 0.022 0.000 1.290 87 H CB -0.082 29.701 29.762 0.034 0.000 1.438 87 H HN 0.136 nan 8.280 nan 0.000 0.487 88 D N 2.428 122.869 120.400 0.068 0.000 2.493 88 D HA 0.061 4.701 4.640 -0.000 0.000 0.240 88 D C 1.414 177.747 176.300 0.054 0.000 1.142 88 D CA 1.506 55.533 54.000 0.045 0.000 0.872 88 D CB 0.993 41.805 40.800 0.019 0.000 1.173 88 D HN 0.979 nan 8.370 nan 0.000 0.467 89 G N 2.696 111.520 108.800 0.039 0.000 2.189 89 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.267 89 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.267 89 G C 1.088 176.006 174.900 0.030 0.000 0.975 89 G CA 0.398 45.516 45.100 0.030 0.000 0.644 89 G HN 0.623 nan 8.290 nan 0.000 0.537 90 I N 0.347 120.945 120.570 0.047 0.000 2.423 90 I HA -0.102 4.068 4.170 -0.000 0.000 0.254 90 I C 2.551 178.653 176.117 -0.026 0.000 1.151 90 I CA 1.396 62.709 61.300 0.022 0.000 1.421 90 I CB -0.060 37.970 38.000 0.050 0.000 1.079 90 I HN 0.392 nan 8.210 nan 0.000 0.431 91 L N -0.058 121.164 121.223 -0.001 0.000 2.265 91 L HA -0.204 4.136 4.340 -0.000 0.000 0.215 91 L C 1.938 178.803 176.870 -0.007 0.000 1.117 91 L CA 0.824 55.665 54.840 0.003 0.000 0.782 91 L CB -0.436 41.653 42.059 0.049 0.000 0.914 91 L HN 0.301 nan 8.230 nan 0.000 0.441 92 Q N -0.706 119.090 119.800 -0.007 0.000 2.360 92 Q HA 0.042 4.381 4.340 -0.000 0.000 0.202 92 Q C 0.556 176.541 176.000 -0.024 0.000 0.915 92 Q CA 0.088 55.886 55.803 -0.008 0.000 0.943 92 Q CB 0.138 28.878 28.738 0.005 0.000 1.064 92 Q HN 0.362 nan 8.270 nan 0.000 0.511 93 Q N 1.093 120.868 119.800 -0.042 0.000 2.361 93 Q HA 0.028 4.368 4.340 -0.000 0.000 0.276 93 Q C -0.727 175.235 176.000 -0.063 0.000 1.022 93 Q CA 0.442 56.216 55.803 -0.048 0.000 0.898 93 Q CB 0.585 29.284 28.738 -0.065 0.000 1.246 93 Q HN 0.002 nan 8.270 nan 0.000 0.410 94 K N 3.319 123.695 120.400 -0.040 0.000 2.095 94 K HA 0.538 4.858 4.320 -0.000 0.000 0.252 94 K C -0.552 176.026 176.600 -0.037 0.000 0.977 94 K CA -0.355 55.908 56.287 -0.041 0.000 0.900 94 K CB 1.338 33.827 32.500 -0.019 0.000 1.060 94 K HN 0.576 nan 8.250 nan 0.000 0.449 95 M N 1.163 120.736 119.600 -0.044 0.000 2.433 95 M HA 0.189 4.669 4.480 -0.000 0.000 0.290 95 M C -0.589 175.696 176.300 -0.025 0.000 1.173 95 M CA -0.924 54.358 55.300 -0.031 0.000 0.905 95 M CB 2.530 35.104 32.600 -0.043 0.000 1.692 95 M HN 0.739 nan 8.290 nan 0.000 0.462 96 T N 0.231 114.780 114.554 -0.009 0.000 2.889 96 T HA 0.590 4.940 4.350 -0.000 0.000 0.291 96 T C -0.287 174.413 174.700 -0.001 0.000 0.995 96 T CA -0.694 61.407 62.100 0.001 0.000 1.092 96 T CB 0.721 69.593 68.868 0.007 0.000 0.954 96 T HN 0.435 nan 8.240 nan 0.000 0.506 97 I N 3.196 123.773 120.570 0.012 0.000 2.371 97 I HA 0.394 4.564 4.170 -0.000 0.000 0.282 97 I C 0.392 176.520 176.117 0.018 0.000 1.031 97 I CA -0.617 60.691 61.300 0.013 0.000 1.180 97 I CB 0.725 38.745 38.000 0.034 0.000 1.336 97 I HN 0.737 nan 8.210 nan 0.000 0.467 98 K N 4.156 124.561 120.400 0.009 0.000 2.238 98 K HA 0.396 4.716 4.320 -0.000 0.000 0.239 98 K C 0.834 177.437 176.600 0.005 0.000 0.987 98 K CA -0.880 55.411 56.287 0.008 0.000 0.857 98 K CB 2.370 34.874 32.500 0.006 0.000 1.154 98 K HN 0.257 nan 8.250 nan 0.000 0.439 99 K N 0.967 121.369 120.400 0.003 0.000 2.218 99 K HA -0.211 4.109 4.320 -0.000 0.000 0.205 99 K C 1.651 178.253 176.600 0.004 0.000 1.046 99 K CA 1.736 58.024 56.287 0.001 0.000 0.933 99 K CB -0.105 32.395 32.500 0.000 0.000 0.728 99 K HN 0.694 nan 8.250 nan 0.000 0.454 100 A N 0.939 123.762 122.820 0.005 0.000 2.119 100 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 100 A C 1.289 178.879 177.584 0.009 0.000 1.153 100 A CA 1.518 53.559 52.037 0.007 0.000 0.692 100 A CB -0.120 18.884 19.000 0.007 0.000 0.799 100 A HN 0.314 nan 8.150 nan 0.000 0.458 101 D N -0.093 120.311 120.400 0.007 0.000 2.249 101 D HA 0.064 4.704 4.640 -0.000 0.000 0.205 101 D C 0.647 176.952 176.300 0.008 0.000 0.962 101 D CA 0.124 54.128 54.000 0.007 0.000 0.860 101 D CB -0.183 40.618 40.800 0.002 0.000 0.955 101 D HN 0.384 nan 8.370 nan 0.000 0.505 102 L N 1.657 122.883 121.223 0.005 0.000 2.543 102 L HA -0.009 4.331 4.340 -0.000 0.000 0.285 102 L C 1.466 178.349 176.870 0.022 0.000 1.236 102 L CA 0.319 55.162 54.840 0.005 0.000 0.871 102 L CB 0.265 42.324 42.059 -0.001 0.000 1.121 102 L HN 0.102 nan 8.230 nan 0.000 0.501 103 T N -1.936 112.639 114.554 0.035 0.000 2.619 103 T HA 0.193 4.543 4.350 -0.000 0.000 0.244 103 T C 0.894 175.649 174.700 0.092 0.000 0.893 103 T CA -0.306 61.832 62.100 0.064 0.000 1.093 103 T CB 0.545 69.461 68.868 0.081 0.000 1.567 103 T HN 0.624 nan 8.240 nan 0.000 0.549 104 N N -0.595 118.187 118.700 0.137 0.000 2.467 104 N HA -0.007 4.733 4.740 -0.000 0.000 0.184 104 N C -0.051 175.657 175.510 0.331 0.000 1.106 104 N CA -0.095 53.065 53.050 0.184 0.000 0.892 104 N CB 0.240 38.824 38.487 0.162 0.000 0.969 104 N HN 0.768 nan 8.380 nan 0.000 0.454 105 W N 1.293 122.617 121.300 0.040 0.000 2.740 105 W HA 0.346 5.006 4.660 -0.000 0.000 0.316 105 W C -1.582 174.957 176.519 0.032 0.000 1.020 105 W CA -0.536 56.835 57.345 0.044 0.000 1.278 105 W CB 0.857 30.349 29.460 0.053 0.000 1.224 105 W HN -0.136 nan 8.180 nan 0.000 0.393 106 N N 7.330 125.758 118.700 -0.453 0.000 2.642 106 N HA 0.107 4.847 4.740 -0.000 0.000 0.308 106 N C -1.751 173.427 175.510 -0.553 0.000 1.914 106 N CA -0.943 51.868 53.050 -0.397 0.000 0.893 106 N CB 0.939 39.316 38.487 -0.182 0.000 1.322 106 N HN 0.265 nan 8.380 nan 0.000 0.490 107 P HA -0.142 nan 4.420 nan 0.000 0.216 107 P C 1.278 178.323 177.300 -0.425 0.000 1.153 107 P CA 1.132 63.809 63.100 -0.706 0.000 0.858 107 P CB 0.695 31.984 31.700 -0.684 0.000 0.789 108 V N 0.066 119.772 119.914 -0.347 0.000 2.521 108 V HA -0.091 4.029 4.120 -0.000 0.000 0.239 108 V C 2.891 178.961 176.094 -0.040 0.000 1.053 108 V CA 2.140 64.313 62.300 -0.212 0.000 1.073 108 V CB -1.848 29.844 31.823 -0.218 0.000 0.746 108 V HN 0.193 nan 8.190 nan 0.000 0.476 109 T N 0.694 115.196 114.554 -0.086 0.000 2.849 109 T HA -0.281 4.069 4.350 -0.000 0.000 0.270 109 T C 1.596 176.308 174.700 0.019 0.000 1.066 109 T CA 1.836 63.926 62.100 -0.017 0.000 1.130 109 T CB -0.570 68.257 68.868 -0.069 0.000 0.864 109 T HN 0.793 nan 8.240 nan 0.000 0.481 110 E N 1.518 121.682 120.200 -0.061 0.000 2.338 110 E HA -0.125 4.225 4.350 -0.000 0.000 0.197 110 E C 1.926 178.495 176.600 -0.052 0.000 1.007 110 E CA 0.728 57.090 56.400 -0.064 0.000 0.849 110 E CB -0.271 29.362 29.700 -0.113 0.000 0.774 110 E HN 0.505 nan 8.360 nan 0.000 0.506 111 K N -0.427 119.951 120.400 -0.037 0.000 2.361 111 K HA 0.000 4.320 4.320 -0.000 0.000 0.196 111 K C 0.374 176.831 176.600 -0.239 0.000 1.039 111 K CA 0.543 56.743 56.287 -0.144 0.000 1.001 111 K CB 0.195 32.572 32.500 -0.205 0.000 0.795 111 K HN 0.219 nan 8.250 nan 0.000 0.495 112 Y N 0.309 120.560 120.300 -0.081 0.000 2.555 112 Y HA 0.120 4.670 4.550 -0.000 0.000 0.259 112 Y C 0.250 176.119 175.900 -0.051 0.000 1.179 112 Y CA -0.673 57.389 58.100 -0.062 0.000 1.230 112 Y CB 0.483 38.905 38.460 -0.063 0.000 1.146 112 Y HN -0.309 nan 8.280 nan 0.000 0.526 113 V N 1.083 121.030 119.914 0.055 0.000 2.557 113 V HA 0.183 4.303 4.120 -0.000 0.000 0.301 113 V C 1.275 177.376 176.094 0.012 0.000 1.026 113 V CA 1.454 63.768 62.300 0.025 0.000 1.137 113 V CB 0.078 31.900 31.823 -0.002 0.000 0.917 113 V HN 0.731 nan 8.190 nan 0.000 0.484 114 G N 3.594 112.405 108.800 0.019 0.000 2.157 114 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.239 114 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.239 114 G C 0.029 174.941 174.900 0.020 0.000 0.982 114 G CA 0.460 45.566 45.100 0.010 0.000 0.650 114 G HN 0.804 nan 8.290 nan 0.000 0.527 115 N N -1.300 117.429 118.700 0.048 0.000 3.439 115 N HA 0.725 5.465 4.740 -0.000 0.000 0.343 115 N C -0.180 175.382 175.510 0.086 0.000 1.597 115 N CA 0.039 53.131 53.050 0.070 0.000 0.733 115 N CB 1.321 39.863 38.487 0.091 0.000 1.973 115 N HN 0.350 nan 8.380 nan 0.000 0.646 116 T N -1.186 113.431 114.554 0.106 0.000 2.916 116 T HA 0.658 5.008 4.350 -0.000 0.000 0.292 116 T C -0.727 173.980 174.700 0.012 0.000 1.055 116 T CA -0.713 61.416 62.100 0.047 0.000 1.009 116 T CB 1.678 70.559 68.868 0.021 0.000 1.118 116 T HN 0.358 nan 8.240 nan 0.000 0.497 117 M N 2.004 121.536 119.600 -0.113 0.000 2.501 117 M HA 0.445 4.924 4.480 -0.000 0.000 0.293 117 M C 0.050 176.253 176.300 -0.162 0.000 1.192 117 M CA -0.842 54.303 55.300 -0.259 0.000 0.886 117 M CB 2.926 35.258 32.600 -0.447 0.000 1.710 117 M HN 1.013 nan 8.290 nan 0.000 0.457 118 T N -0.999 113.469 114.554 -0.143 0.000 2.849 118 T HA 0.429 4.779 4.350 -0.000 0.000 0.284 118 T C 1.109 175.733 174.700 -0.126 0.000 1.004 118 T CA -0.846 61.194 62.100 -0.100 0.000 1.021 118 T CB 0.751 69.587 68.868 -0.052 0.000 1.013 118 T HN 0.661 nan 8.240 nan 0.000 0.527 119 L N 0.855 122.000 121.223 -0.130 0.000 2.187 119 L HA -0.068 4.272 4.340 -0.000 0.000 0.213 119 L C 3.097 179.909 176.870 -0.097 0.000 1.100 119 L CA 1.482 56.226 54.840 -0.160 0.000 0.765 119 L CB -1.036 40.883 42.059 -0.234 0.000 0.904 119 L HN 0.947 nan 8.230 nan 0.000 0.437 120 A N 0.262 123.074 122.820 -0.013 0.000 1.873 120 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 120 A C 2.167 179.745 177.584 -0.009 0.000 1.186 120 A CA 1.446 53.557 52.037 0.123 0.000 0.616 120 A CB -0.373 18.745 19.000 0.196 0.000 0.823 120 A HN 0.436 nan 8.150 nan 0.000 0.442 121 E N -0.039 120.121 120.200 -0.065 0.000 2.110 121 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 121 E C 1.932 178.393 176.600 -0.232 0.000 0.988 121 E CA 1.151 57.465 56.400 -0.142 0.000 0.804 121 E CB -0.328 29.246 29.700 -0.209 0.000 0.745 121 E HN 0.604 nan 8.360 nan 0.000 0.458 122 L N 0.728 121.811 121.223 -0.234 0.000 2.093 122 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 122 L C 2.521 179.228 176.870 -0.272 0.000 1.085 122 L CA 0.811 55.513 54.840 -0.230 0.000 0.755 122 L CB -0.228 41.720 42.059 -0.186 0.000 0.904 122 L HN 0.054 nan 8.230 nan 0.000 0.435 123 S N -0.124 115.353 115.700 -0.372 0.000 2.355 123 S HA -0.141 4.328 4.470 -0.000 0.000 0.222 123 S C 2.205 176.281 174.600 -0.872 0.000 1.031 123 S CA 1.169 59.005 58.200 -0.606 0.000 0.993 123 S CB -0.280 62.434 63.200 -0.810 0.000 0.859 123 S HN 0.491 nan 8.310 nan 0.000 0.453 124 A N 1.547 123.791 122.820 -0.960 0.000 1.933 124 A HA 0.096 4.416 4.320 -0.000 0.000 0.218 124 A C 2.326 179.731 177.584 -0.299 0.000 1.175 124 A CA 1.732 53.278 52.037 -0.819 0.000 0.628 124 A CB -1.022 17.770 19.000 -0.346 0.000 0.814 124 A HN 0.509 nan 8.150 nan 0.000 0.444 125 A N -1.684 121.019 122.820 -0.194 0.000 1.898 125 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 125 A C 2.369 179.960 177.584 0.011 0.000 1.181 125 A CA 2.287 54.304 52.037 -0.032 0.000 0.620 125 A CB -1.197 17.733 19.000 -0.116 0.000 0.819 125 A HN 0.430 nan 8.150 nan 0.000 0.442 126 T N -0.718 113.786 114.554 -0.082 0.000 2.904 126 T HA 0.039 4.389 4.350 -0.000 0.000 0.267 126 T C 1.706 176.397 174.700 -0.015 0.000 1.059 126 T CA 1.253 63.340 62.100 -0.023 0.000 1.137 126 T CB -0.345 68.492 68.868 -0.052 0.000 0.879 126 T HN 0.349 nan 8.240 nan 0.000 0.467 127 L N -0.037 121.126 121.223 -0.101 0.000 2.127 127 L HA 0.098 4.438 4.340 -0.000 0.000 0.203 127 L C 2.684 179.534 176.870 -0.033 0.000 1.080 127 L CA 1.001 55.800 54.840 -0.069 0.000 0.768 127 L CB -0.267 41.713 42.059 -0.131 0.000 0.924 127 L HN 0.256 nan 8.230 nan 0.000 0.444 128 Q N -1.640 118.132 119.800 -0.046 0.000 2.402 128 Q HA -0.013 4.327 4.340 -0.000 0.000 0.206 128 Q C 0.670 176.471 176.000 -0.333 0.000 0.919 128 Q CA 0.777 56.498 55.803 -0.138 0.000 0.923 128 Q CB 0.513 29.183 28.738 -0.115 0.000 1.048 128 Q HN 0.489 nan 8.270 nan 0.000 0.515 129 Y N -1.449 118.891 120.300 0.067 0.000 2.563 129 Y HA 0.229 4.779 4.550 0.000 0.000 0.250 129 Y C 0.700 176.774 175.900 0.291 0.000 1.126 129 Y CA -0.200 57.998 58.100 0.164 0.000 1.231 129 Y CB 1.276 39.801 38.460 0.109 0.000 1.288 129 Y HN -0.143 nan 8.280 nan 0.000 0.537 130 S N 1.402 117.266 115.700 0.274 0.000 3.635 130 S HA -0.226 4.244 4.470 -0.000 0.000 0.328 130 S C -0.090 174.744 174.600 0.390 0.000 1.135 130 S CA 0.634 58.981 58.200 0.244 0.000 0.942 130 S CB -1.299 61.991 63.200 0.151 0.000 0.930 130 S HN 0.577 nan 8.310 nan 0.000 0.512 131 D N 0.992 121.567 120.400 0.293 0.000 2.502 131 D HA 0.036 4.676 4.640 -0.000 0.000 0.249 131 D C 1.270 177.665 176.300 0.158 0.000 1.188 131 D CA 0.145 54.241 54.000 0.161 0.000 0.890 131 D CB 0.310 41.106 40.800 -0.006 0.000 1.140 131 D HN 0.420 nan 8.370 nan 0.000 0.505 132 N N 2.214 121.045 118.700 0.219 0.000 2.216 132 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 132 N C 1.541 177.096 175.510 0.075 0.000 1.017 132 N CA 0.861 54.003 53.050 0.153 0.000 0.861 132 N CB -0.056 38.546 38.487 0.192 0.000 0.986 132 N HN 0.421 nan 8.380 nan 0.000 0.428 133 T N 0.844 115.423 114.554 0.042 0.000 2.821 133 T HA -0.010 4.340 4.350 -0.000 0.000 0.267 133 T C 1.956 176.650 174.700 -0.010 0.000 1.046 133 T CA 1.200 63.306 62.100 0.010 0.000 1.139 133 T CB -0.244 68.615 68.868 -0.015 0.000 0.871 133 T HN 0.299 nan 8.240 nan 0.000 0.454 134 A N 1.633 124.436 122.820 -0.028 0.000 1.902 134 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 134 A C 2.247 179.811 177.584 -0.034 0.000 1.181 134 A CA 2.004 54.007 52.037 -0.057 0.000 0.623 134 A CB -0.707 18.243 19.000 -0.083 0.000 0.818 134 A HN 0.453 nan 8.150 nan 0.000 0.443 135 M N 0.817 120.416 119.600 -0.002 0.000 2.065 135 M HA -0.182 4.298 4.480 -0.000 0.000 0.259 135 M C 1.395 177.707 176.300 0.019 0.000 1.069 135 M CA 2.305 57.614 55.300 0.014 0.000 1.110 135 M CB -0.847 31.779 32.600 0.042 0.000 1.328 135 M HN 0.383 nan 8.290 nan 0.000 0.405 136 N N 0.398 119.112 118.700 0.023 0.000 2.205 136 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 136 N C 1.556 177.077 175.510 0.019 0.000 1.015 136 N CA 1.307 54.372 53.050 0.025 0.000 0.862 136 N CB -0.408 38.094 38.487 0.026 0.000 0.986 136 N HN 0.483 nan 8.380 nan 0.000 0.429 137 K N 0.873 121.276 120.400 0.005 0.000 2.057 137 K HA 0.000 4.320 4.320 -0.000 0.000 0.206 137 K C 2.158 178.774 176.600 0.026 0.000 1.050 137 K CA 0.557 56.846 56.287 0.003 0.000 0.935 137 K CB -0.440 32.042 32.500 -0.030 0.000 0.715 137 K HN 0.250 nan 8.250 nan 0.000 0.439 138 L N 0.913 122.143 121.223 0.012 0.000 2.046 138 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 138 L C 2.522 179.440 176.870 0.079 0.000 1.077 138 L CA 0.897 55.761 54.840 0.040 0.000 0.747 138 L CB -0.543 41.514 42.059 -0.002 0.000 0.896 138 L HN 0.114 nan 8.230 nan 0.000 0.432 139 L N -0.252 121.002 121.223 0.051 0.000 2.046 139 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 139 L C 2.916 179.807 176.870 0.036 0.000 1.077 139 L CA 1.236 56.104 54.840 0.047 0.000 0.747 139 L CB -0.725 41.361 42.059 0.044 0.000 0.896 139 L HN 0.252 nan 8.230 nan 0.000 0.432 140 A N -0.441 122.402 122.820 0.039 0.000 1.902 140 A HA -0.304 4.016 4.320 -0.000 0.000 0.217 140 A C 2.113 179.710 177.584 0.021 0.000 1.181 140 A CA 2.014 54.066 52.037 0.026 0.000 0.623 140 A CB -0.861 18.157 19.000 0.029 0.000 0.818 140 A HN 0.569 nan 8.150 nan 0.000 0.443 141 H N -0.076 118.979 119.070 -0.024 0.000 2.321 141 H HA 0.001 4.557 4.556 -0.000 0.000 0.300 141 H C 1.577 176.882 175.328 -0.037 0.000 1.087 141 H CA 1.969 57.996 56.048 -0.035 0.000 1.319 141 H CB -0.319 29.417 29.762 -0.044 0.000 1.379 141 H HN 0.349 nan 8.280 nan 0.000 0.501 142 L N -0.797 120.336 121.223 -0.150 0.000 2.465 142 L HA 0.079 4.419 4.340 -0.000 0.000 0.224 142 L C 1.751 178.543 176.870 -0.131 0.000 1.145 142 L CA 0.779 55.517 54.840 -0.170 0.000 0.834 142 L CB -0.069 41.979 42.059 -0.018 0.000 0.944 142 L HN 0.740 nan 8.230 nan 0.000 0.451 143 G N -0.657 108.086 108.800 -0.096 0.000 2.144 143 G HA2 0.003 3.963 3.960 -0.000 0.000 0.218 143 G HA3 0.003 3.963 3.960 -0.000 0.000 0.218 143 G C 0.458 175.348 174.900 -0.016 0.000 0.988 143 G CA -0.170 44.895 45.100 -0.059 0.000 0.659 143 G HN 0.864 nan 8.290 nan 0.000 0.522 144 G N -1.754 107.047 108.800 0.002 0.000 2.406 144 G HA2 0.402 4.362 3.960 -0.000 0.000 0.680 144 G HA3 0.402 4.362 3.960 -0.000 0.000 0.680 144 G C -1.351 173.577 174.900 0.047 0.000 1.338 144 G CA 0.152 45.266 45.100 0.023 0.000 0.941 144 G HN 0.344 nan 8.290 nan 0.000 0.633 145 P HA -0.012 nan 4.420 nan 0.000 0.216 145 P C 2.116 179.484 177.300 0.112 0.000 1.150 145 P CA 2.078 65.231 63.100 0.088 0.000 0.837 145 P CB 0.007 31.745 31.700 0.065 0.000 0.786 146 G N -0.273 108.576 108.800 0.082 0.000 2.450 146 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.220 146 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.220 146 G C 1.529 176.490 174.900 0.102 0.000 1.130 146 G CA 0.746 45.898 45.100 0.087 0.000 0.760 146 G HN 0.244 nan 8.290 nan 0.000 0.557 147 N N -0.057 118.695 118.700 0.087 0.000 2.409 147 N HA -0.020 4.720 4.740 -0.000 0.000 0.179 147 N C 2.196 177.786 175.510 0.134 0.000 1.032 147 N CA 0.447 53.549 53.050 0.087 0.000 0.898 147 N CB 0.133 38.645 38.487 0.043 0.000 0.971 147 N HN 0.220 nan 8.380 nan 0.000 0.441 148 V N 0.410 120.422 119.914 0.163 0.000 2.488 148 V HA -0.111 4.009 4.120 -0.000 0.000 0.246 148 V C 2.045 178.288 176.094 0.247 0.000 1.046 148 V CA 1.471 63.900 62.300 0.215 0.000 1.053 148 V CB -0.686 31.293 31.823 0.259 0.000 0.679 148 V HN 0.274 nan 8.190 nan 0.000 0.458 149 T N 0.614 115.350 114.554 0.303 0.000 2.777 149 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 149 T C 2.089 176.884 174.700 0.158 0.000 1.040 149 T CA 1.525 63.820 62.100 0.326 0.000 1.141 149 T CB -0.358 68.676 68.868 0.277 0.000 0.868 149 T HN 0.544 nan 8.240 nan 0.000 0.444 150 A N 1.058 123.960 122.820 0.137 0.000 1.933 150 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 150 A C 1.987 179.626 177.584 0.091 0.000 1.175 150 A CA 1.314 53.409 52.037 0.098 0.000 0.628 150 A CB -0.893 18.165 19.000 0.096 0.000 0.814 150 A HN 0.502 nan 8.150 nan 0.000 0.444 151 F N 1.010 120.949 119.950 -0.019 0.000 2.186 151 F HA 0.034 4.561 4.527 -0.000 0.000 0.299 151 F C 2.428 178.167 175.800 -0.102 0.000 1.090 151 F CA 0.863 58.833 58.000 -0.049 0.000 1.307 151 F CB -0.536 38.432 39.000 -0.052 0.000 1.019 151 F HN 0.238 nan 8.300 nan 0.000 0.489 152 A N 1.288 123.913 122.820 -0.326 0.000 1.902 152 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 152 A C 2.375 179.773 177.584 -0.311 0.000 1.181 152 A CA 1.579 53.322 52.037 -0.489 0.000 0.623 152 A CB -0.661 18.002 19.000 -0.561 0.000 0.818 152 A HN 0.388 nan 8.150 nan 0.000 0.443 153 R N 0.423 120.832 120.500 -0.151 0.000 2.096 153 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 153 R C 2.478 178.700 176.300 -0.130 0.000 1.127 153 R CA 1.657 57.704 56.100 -0.088 0.000 0.968 153 R CB -0.966 29.323 30.300 -0.018 0.000 0.861 153 R HN 0.738 nan 8.270 nan 0.000 0.440 154 S N 1.351 116.945 115.700 -0.176 0.000 2.474 154 S HA -0.081 4.389 4.470 -0.000 0.000 0.235 154 S C 1.895 176.362 174.600 -0.221 0.000 0.997 154 S CA 1.022 59.127 58.200 -0.158 0.000 0.949 154 S CB -0.505 62.636 63.200 -0.097 0.000 0.766 154 S HN 0.554 nan 8.310 nan 0.000 0.517 155 I N -3.180 117.183 120.570 -0.345 0.000 3.904 155 I HA 0.620 4.790 4.170 -0.000 0.000 0.333 155 I C 1.231 177.240 176.117 -0.180 0.000 1.361 155 I CA 0.070 61.197 61.300 -0.289 0.000 1.116 155 I CB -0.182 37.566 38.000 -0.421 0.000 1.028 155 I HN 0.326 nan 8.210 nan 0.000 0.398 156 G N 1.351 110.066 108.800 -0.143 0.000 2.159 156 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.227 156 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.227 156 G C -0.218 174.641 174.900 -0.067 0.000 0.986 156 G CA 0.197 45.246 45.100 -0.086 0.000 0.651 156 G HN 0.540 nan 8.290 nan 0.000 0.523 157 D N 1.489 121.837 120.400 -0.087 0.000 2.380 157 D HA 0.484 5.124 4.640 -0.000 0.000 0.230 157 D C 1.649 177.957 176.300 0.015 0.000 1.154 157 D CA 0.508 54.488 54.000 -0.032 0.000 0.859 157 D CB 0.707 41.474 40.800 -0.055 0.000 1.045 157 D HN 0.257 nan 8.370 nan 0.000 0.495 158 T N -0.356 114.217 114.554 0.032 0.000 3.163 158 T HA 0.087 4.437 4.350 -0.000 0.000 0.252 158 T C 1.210 175.954 174.700 0.073 0.000 1.056 158 T CA -0.055 62.072 62.100 0.046 0.000 0.947 158 T CB 0.314 69.197 68.868 0.025 0.000 1.016 158 T HN 0.179 nan 8.240 nan 0.000 0.554 159 T N 0.835 115.452 114.554 0.105 0.000 3.046 159 T HA 0.288 4.638 4.350 -0.000 0.000 0.242 159 T C 0.207 175.000 174.700 0.155 0.000 1.018 159 T CA -0.490 61.677 62.100 0.111 0.000 1.131 159 T CB -0.265 68.668 68.868 0.109 0.000 0.904 159 T HN 0.455 nan 8.240 nan 0.000 0.459 160 F N 5.028 125.002 119.950 0.039 0.000 2.629 160 F HA 0.235 4.762 4.527 -0.000 0.000 0.369 160 F C 0.547 176.373 175.800 0.042 0.000 1.125 160 F CA -0.524 57.507 58.000 0.051 0.000 1.330 160 F CB 0.339 39.369 39.000 0.050 0.000 1.071 160 F HN 0.079 nan 8.300 nan 0.000 0.595 161 R N 6.092 126.348 120.500 -0.407 0.000 2.542 161 R HA 0.552 4.892 4.340 -0.000 0.000 0.284 161 R C -2.485 173.564 176.300 -0.420 0.000 1.167 161 R CA -1.096 54.884 56.100 -0.200 0.000 1.000 161 R CB 0.817 31.076 30.300 -0.068 0.000 1.229 161 R HN 0.639 nan 8.270 nan 0.000 0.416 162 L N 2.966 124.069 121.223 -0.200 0.000 2.280 162 L HA 0.445 4.785 4.340 -0.000 0.000 0.287 162 L C -0.608 176.251 176.870 -0.018 0.000 1.023 162 L CA 0.240 55.006 54.840 -0.123 0.000 0.819 162 L CB 1.631 43.743 42.059 0.088 0.000 1.212 162 L HN 0.787 nan 8.230 nan 0.000 0.420 163 D N 2.783 123.159 120.400 -0.040 0.000 2.422 163 D HA 0.216 4.856 4.640 -0.000 0.000 0.218 163 D C 0.042 176.344 176.300 0.002 0.000 1.047 163 D CA 0.436 54.429 54.000 -0.012 0.000 0.885 163 D CB 0.463 41.248 40.800 -0.025 0.000 1.035 163 D HN 0.419 nan 8.370 nan 0.000 0.502 164 R N 0.112 120.611 120.500 -0.001 0.000 2.888 164 R HA 0.482 4.822 4.340 -0.000 0.000 0.264 164 R C -0.492 175.821 176.300 0.020 0.000 1.045 164 R CA -0.982 55.125 56.100 0.011 0.000 0.962 164 R CB 1.818 32.122 30.300 0.006 0.000 1.210 164 R HN -0.070 nan 8.270 nan 0.000 0.479 165 K N 0.324 120.740 120.400 0.026 0.000 2.399 165 K HA 0.321 4.641 4.320 -0.000 0.000 0.247 165 K C -0.459 176.162 176.600 0.035 0.000 1.036 165 K CA -0.840 55.467 56.287 0.033 0.000 0.977 165 K CB 0.588 33.108 32.500 0.032 0.000 1.272 165 K HN 0.208 nan 8.250 nan 0.000 0.501 166 E N 1.311 121.537 120.200 0.043 0.000 2.331 166 E HA 0.087 4.437 4.350 -0.000 0.000 0.272 166 E C -1.794 174.837 176.600 0.052 0.000 1.036 166 E CA -1.974 54.457 56.400 0.052 0.000 0.864 166 E CB 1.318 31.058 29.700 0.067 0.000 1.035 166 E HN 0.484 nan 8.360 nan 0.000 0.408 167 P HA 0.131 nan 4.420 nan 0.000 0.268 167 P C 0.264 177.592 177.300 0.047 0.000 1.329 167 P CA 0.169 63.304 63.100 0.059 0.000 0.899 167 P CB 0.673 32.416 31.700 0.073 0.000 1.378 168 E N 1.164 121.387 120.200 0.038 0.000 2.160 168 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 168 E C 1.747 178.362 176.600 0.025 0.000 0.991 168 E CA 1.176 57.595 56.400 0.031 0.000 0.810 168 E CB -1.222 28.492 29.700 0.024 0.000 0.742 168 E HN 0.310 nan 8.360 nan 0.000 0.466 169 L N -1.093 120.142 121.223 0.019 0.000 2.642 169 L HA -0.005 4.335 4.340 -0.000 0.000 0.236 169 L C 0.631 177.505 176.870 0.005 0.000 1.169 169 L CA 1.410 56.251 54.840 0.003 0.000 0.851 169 L CB -0.654 41.402 42.059 -0.004 0.000 0.968 169 L HN -0.062 nan 8.230 nan 0.000 0.453 170 N N -0.481 118.237 118.700 0.029 0.000 2.336 170 N HA -0.035 4.705 4.740 -0.000 0.000 0.189 170 N C 1.522 177.078 175.510 0.077 0.000 1.113 170 N CA 0.638 53.717 53.050 0.047 0.000 0.858 170 N CB 0.036 38.563 38.487 0.068 0.000 0.970 170 N HN 0.601 nan 8.380 nan 0.000 0.471 171 T N -1.565 113.029 114.554 0.066 0.000 2.788 171 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 171 T C 1.504 176.297 174.700 0.156 0.000 1.044 171 T CA 0.764 62.926 62.100 0.103 0.000 1.139 171 T CB -0.460 68.451 68.868 0.071 0.000 0.867 171 T HN 0.194 nan 8.240 nan 0.000 0.454 172 A N 0.996 123.855 122.820 0.065 0.000 2.665 172 A HA -0.145 4.175 4.320 -0.000 0.000 0.301 172 A C 0.410 177.901 177.584 -0.156 0.000 1.509 172 A CA 0.682 52.721 52.037 0.004 0.000 0.789 172 A CB -2.661 16.387 19.000 0.080 0.000 1.024 172 A HN 0.773 nan 8.150 nan 0.000 0.460 173 I N 0.274 120.747 120.570 -0.162 0.000 2.598 173 I HA 0.132 4.302 4.170 -0.000 0.000 0.284 173 I C -1.730 174.128 176.117 -0.431 0.000 1.140 173 I CA -1.638 59.449 61.300 -0.356 0.000 1.420 173 I CB 0.412 38.343 38.000 -0.114 0.000 1.387 173 I HN 0.123 nan 8.210 nan 0.000 0.553 174 P HA 0.004 nan 4.420 nan 0.000 0.261 174 P C 0.835 177.985 177.300 -0.250 0.000 1.183 174 P CA 0.822 63.675 63.100 -0.410 0.000 0.761 174 P CB 0.576 32.037 31.700 -0.399 0.000 0.785 175 G N 2.269 110.943 108.800 -0.211 0.000 2.241 175 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.244 175 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.244 175 G C 0.210 175.034 174.900 -0.127 0.000 0.998 175 G CA -0.025 44.984 45.100 -0.151 0.000 0.621 175 G HN 0.618 nan 8.290 nan 0.000 0.519 176 D N 1.056 121.373 120.400 -0.138 0.000 2.348 176 D HA 0.414 5.054 4.640 -0.000 0.000 0.253 176 D C 1.325 177.564 176.300 -0.102 0.000 1.161 176 D CA -0.143 53.795 54.000 -0.105 0.000 0.876 176 D CB 0.600 41.340 40.800 -0.099 0.000 1.160 176 D HN 0.493 nan 8.370 nan 0.000 0.459 177 E N 2.378 122.530 120.200 -0.080 0.000 2.474 177 E HA 0.047 4.397 4.350 -0.000 0.000 0.194 177 E C 0.270 176.824 176.600 -0.076 0.000 1.041 177 E CA -0.125 56.230 56.400 -0.075 0.000 0.874 177 E CB 0.520 30.185 29.700 -0.058 0.000 0.914 177 E HN 0.280 nan 8.360 nan 0.000 0.498 178 R N 2.139 122.597 120.500 -0.070 0.000 2.570 178 R HA -0.035 4.305 4.340 -0.000 0.000 0.277 178 R C -0.187 176.055 176.300 -0.095 0.000 1.039 178 R CA 0.330 56.388 56.100 -0.070 0.000 1.065 178 R CB 0.137 30.407 30.300 -0.050 0.000 0.964 178 R HN 0.081 nan 8.270 nan 0.000 0.428 179 D N 0.614 120.939 120.400 -0.126 0.000 2.689 179 D HA -0.165 4.475 4.640 -0.000 0.000 0.237 179 D C -0.158 176.026 176.300 -0.192 0.000 1.148 179 D CA 1.740 55.634 54.000 -0.176 0.000 0.656 179 D CB -0.969 39.763 40.800 -0.114 0.000 1.050 179 D HN 0.743 nan 8.370 nan 0.000 0.426 180 T N -3.957 110.480 114.554 -0.195 0.000 2.907 180 T HA 0.783 5.133 4.350 -0.000 0.000 0.290 180 T C -0.034 174.599 174.700 -0.111 0.000 1.066 180 T CA -0.410 61.611 62.100 -0.132 0.000 1.012 180 T CB 3.699 72.520 68.868 -0.078 0.000 1.184 180 T HN 0.073 nan 8.240 nan 0.000 0.522 181 T N -0.336 114.240 114.554 0.036 0.000 2.677 181 T HA 0.628 4.978 4.350 -0.000 0.000 0.305 181 T C -1.351 173.521 174.700 0.286 0.000 1.569 181 T CA -0.182 62.004 62.100 0.143 0.000 0.984 181 T CB 1.054 70.043 68.868 0.202 0.000 1.629 181 T HN 1.334 nan 8.240 nan 0.000 0.494 182 S N 0.913 116.772 115.700 0.265 0.000 2.638 182 S HA 0.641 5.111 4.470 -0.000 0.000 0.298 182 S C -2.192 172.514 174.600 0.176 0.000 1.111 182 S CA -1.233 57.136 58.200 0.282 0.000 1.027 182 S CB 1.560 64.866 63.200 0.176 0.000 1.064 182 S HN 0.471 nan 8.310 nan 0.000 0.525 183 P HA -0.087 nan 4.420 nan 0.000 0.215 183 P C 1.650 178.869 177.300 -0.134 0.000 1.157 183 P CA 0.521 63.474 63.100 -0.245 0.000 0.868 183 P CB -0.002 31.557 31.700 -0.235 0.000 0.788 184 L N -0.380 120.820 121.223 -0.038 0.000 2.046 184 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 184 L C 2.201 179.066 176.870 -0.008 0.000 1.077 184 L CA 2.016 56.841 54.840 -0.026 0.000 0.747 184 L CB -1.618 40.440 42.059 -0.001 0.000 0.896 184 L HN -0.129 nan 8.230 nan 0.000 0.432 185 A N -0.956 121.883 122.820 0.030 0.000 1.902 185 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 185 A C 2.316 179.931 177.584 0.052 0.000 1.181 185 A CA 2.207 54.274 52.037 0.051 0.000 0.623 185 A CB -0.675 18.383 19.000 0.097 0.000 0.818 185 A HN 0.517 nan 8.150 nan 0.000 0.443 186 M N 0.072 119.709 119.600 0.061 0.000 2.175 186 M HA 0.051 4.531 4.480 -0.000 0.000 0.264 186 M C 2.131 178.424 176.300 -0.011 0.000 1.063 186 M CA 1.499 56.837 55.300 0.065 0.000 1.119 186 M CB -0.650 31.996 32.600 0.077 0.000 1.377 186 M HN 0.376 nan 8.290 nan 0.000 0.415 187 A N 0.020 122.803 122.820 -0.062 0.000 1.877 187 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 187 A C 2.186 179.738 177.584 -0.053 0.000 1.186 187 A CA 2.045 54.036 52.037 -0.076 0.000 0.620 187 A CB -0.676 18.268 19.000 -0.094 0.000 0.822 187 A HN 0.576 nan 8.150 nan 0.000 0.443 188 K N -0.186 120.190 120.400 -0.040 0.000 2.057 188 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 188 K C 2.390 178.966 176.600 -0.039 0.000 1.049 188 K CA 1.520 57.785 56.287 -0.038 0.000 0.931 188 K CB -0.224 32.258 32.500 -0.029 0.000 0.714 188 K HN 0.411 nan 8.250 nan 0.000 0.440 189 S N 1.323 117.004 115.700 -0.032 0.000 2.368 189 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 189 S C 1.811 176.396 174.600 -0.025 0.000 1.029 189 S CA 0.877 59.050 58.200 -0.046 0.000 0.988 189 S CB -0.199 62.970 63.200 -0.052 0.000 0.838 189 S HN 0.172 nan 8.310 nan 0.000 0.462 190 L N 2.178 123.394 121.223 -0.011 0.000 2.083 190 L HA -0.011 4.329 4.340 -0.000 0.000 0.209 190 L C 2.287 179.149 176.870 -0.013 0.000 1.083 190 L CA 1.661 56.502 54.840 0.002 0.000 0.752 190 L CB -0.507 41.547 42.059 -0.007 0.000 0.899 190 L HN 0.166 nan 8.230 nan 0.000 0.433 191 R N -0.358 120.119 120.500 -0.038 0.000 2.066 191 R HA -0.174 4.166 4.340 -0.000 0.000 0.232 191 R C 2.271 178.557 176.300 -0.024 0.000 1.131 191 R CA 1.732 57.803 56.100 -0.048 0.000 0.955 191 R CB -0.151 30.112 30.300 -0.061 0.000 0.851 191 R HN 0.343 nan 8.270 nan 0.000 0.432 192 K N 0.279 120.665 120.400 -0.024 0.000 2.097 192 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 192 K C 2.114 178.719 176.600 0.008 0.000 1.049 192 K CA 1.380 57.656 56.287 -0.018 0.000 0.933 192 K CB -0.084 32.392 32.500 -0.041 0.000 0.717 192 K HN 0.243 nan 8.250 nan 0.000 0.442 193 L N 0.349 121.586 121.223 0.024 0.000 2.131 193 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 193 L C 2.590 179.506 176.870 0.076 0.000 1.087 193 L CA 1.414 56.295 54.840 0.069 0.000 0.767 193 L CB -0.576 41.542 42.059 0.099 0.000 0.917 193 L HN 0.343 nan 8.230 nan 0.000 0.441 194 T N -3.629 110.965 114.554 0.066 0.000 3.044 194 T HA 0.135 4.485 4.350 -0.000 0.000 0.255 194 T C 1.566 176.326 174.700 0.100 0.000 1.073 194 T CA 0.315 62.473 62.100 0.095 0.000 1.125 194 T CB 0.129 69.061 68.868 0.107 0.000 0.908 194 T HN 0.185 nan 8.240 nan 0.000 0.480 195 L N -0.177 121.079 121.223 0.055 0.000 2.766 195 L HA 0.488 4.828 4.340 -0.000 0.000 0.241 195 L C 1.861 178.750 176.870 0.030 0.000 1.080 195 L CA -0.064 54.808 54.840 0.053 0.000 0.909 195 L CB -0.161 41.906 42.059 0.014 0.000 1.277 195 L HN 0.363 nan 8.230 nan 0.000 0.510 196 G N -0.508 108.301 108.800 0.016 0.000 2.504 196 G HA2 0.073 4.033 3.960 -0.000 0.000 0.257 196 G HA3 0.073 4.033 3.960 -0.000 0.000 0.257 196 G C -0.242 174.667 174.900 0.015 0.000 1.451 196 G CA -0.146 44.959 45.100 0.007 0.000 1.059 196 G HN 0.030 nan 8.290 nan 0.000 0.550 197 D N -0.049 120.355 120.400 0.008 0.000 2.463 197 D HA 0.270 4.910 4.640 -0.000 0.000 0.224 197 D C 1.932 178.244 176.300 0.019 0.000 1.174 197 D CA 0.295 54.303 54.000 0.013 0.000 0.829 197 D CB 0.719 41.523 40.800 0.007 0.000 0.993 197 D HN 0.294 nan 8.370 nan 0.000 0.497 198 A N 0.139 122.971 122.820 0.021 0.000 1.972 198 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 198 A C 1.097 178.735 177.584 0.089 0.000 1.169 198 A CA 0.862 52.917 52.037 0.030 0.000 0.635 198 A CB 0.035 19.040 19.000 0.009 0.000 0.810 198 A HN 0.218 nan 8.150 nan 0.000 0.446 199 L N -1.805 119.469 121.223 0.086 0.000 2.319 199 L HA 0.667 5.007 4.340 -0.000 0.000 0.267 199 L C 0.425 177.325 176.870 0.050 0.000 1.011 199 L CA -0.956 53.938 54.840 0.089 0.000 0.818 199 L CB 1.821 43.937 42.059 0.095 0.000 1.316 199 L HN 0.182 nan 8.230 nan 0.000 0.432 200 A N 0.635 123.478 122.820 0.038 0.000 2.313 200 A HA 0.482 4.802 4.320 -0.000 0.000 0.261 200 A C 1.236 178.823 177.584 0.005 0.000 1.090 200 A CA 0.349 52.397 52.037 0.018 0.000 0.807 200 A CB 0.301 19.308 19.000 0.013 0.000 1.055 200 A HN 0.948 nan 8.150 nan 0.000 0.492 201 G N 0.631 109.429 108.800 -0.003 0.000 2.631 201 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 201 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 201 G C -0.613 174.267 174.900 -0.032 0.000 1.214 201 G CA 1.762 46.853 45.100 -0.014 0.000 0.785 201 G HN 0.606 nan 8.290 nan 0.000 0.596 202 P HA -0.090 nan 4.420 nan 0.000 0.215 202 P C 1.881 179.128 177.300 -0.089 0.000 1.153 202 P CA 1.542 64.603 63.100 -0.065 0.000 0.853 202 P CB -0.043 31.626 31.700 -0.052 0.000 0.788 203 Q N -1.010 118.754 119.800 -0.060 0.000 2.079 203 Q HA -0.119 4.221 4.340 -0.000 0.000 0.200 203 Q C 2.315 178.279 176.000 -0.060 0.000 0.974 203 Q CA 1.414 57.180 55.803 -0.063 0.000 0.840 203 Q CB -0.724 28.008 28.738 -0.010 0.000 0.898 203 Q HN 0.157 nan 8.270 nan 0.000 0.430 204 R N 0.055 120.540 120.500 -0.025 0.000 2.073 204 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 204 R C 2.043 178.323 176.300 -0.033 0.000 1.134 204 R CA 1.408 57.508 56.100 -0.001 0.000 0.952 204 R CB -0.364 29.947 30.300 0.018 0.000 0.850 204 R HN 0.281 nan 8.270 nan 0.000 0.433 205 A N 0.447 123.225 122.820 -0.069 0.000 1.908 205 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 205 A C 2.079 179.554 177.584 -0.182 0.000 1.181 205 A CA 1.681 53.657 52.037 -0.103 0.000 0.627 205 A CB -0.608 18.327 19.000 -0.107 0.000 0.818 205 A HN 0.474 nan 8.150 nan 0.000 0.445 206 Q N -0.660 118.973 119.800 -0.279 0.000 2.119 206 Q HA -0.114 4.226 4.340 -0.000 0.000 0.201 206 Q C 1.833 177.489 176.000 -0.573 0.000 0.972 206 Q CA 1.707 57.166 55.803 -0.574 0.000 0.847 206 Q CB -0.490 27.805 28.738 -0.739 0.000 0.903 206 Q HN 0.517 nan 8.270 nan 0.000 0.433 207 L N -0.692 120.403 121.223 -0.213 0.000 2.056 207 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 207 L C 2.050 178.992 176.870 0.119 0.000 1.078 207 L CA 1.433 56.325 54.840 0.086 0.000 0.749 207 L CB -0.683 41.459 42.059 0.138 0.000 0.901 207 L HN 0.142 nan 8.230 nan 0.000 0.433 208 V N -0.064 119.882 119.914 0.053 0.000 2.295 208 V HA -0.317 3.803 4.120 -0.000 0.000 0.246 208 V C 2.333 178.464 176.094 0.062 0.000 1.049 208 V CA 2.042 64.403 62.300 0.102 0.000 1.024 208 V CB -0.767 31.102 31.823 0.077 0.000 0.648 208 V HN 0.575 nan 8.190 nan 0.000 0.447 209 D N -1.142 119.233 120.400 -0.042 0.000 2.117 209 D HA -0.217 4.423 4.640 -0.000 0.000 0.197 209 D C 1.988 178.347 176.300 0.098 0.000 0.987 209 D CA 1.453 55.426 54.000 -0.046 0.000 0.829 209 D CB -0.119 40.581 40.800 -0.166 0.000 0.961 209 D HN 0.446 nan 8.370 nan 0.000 0.460 210 W N 0.720 122.037 121.300 0.028 0.000 2.355 210 W HA -0.054 4.606 4.660 0.000 0.000 0.309 210 W C 2.281 178.821 176.519 0.035 0.000 1.206 210 W CA 0.477 57.841 57.345 0.031 0.000 1.284 210 W CB -1.143 28.337 29.460 0.034 0.000 1.145 210 W HN 0.153 nan 8.180 nan 0.000 0.502 211 L N 0.156 121.553 121.223 0.290 0.000 2.046 211 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 211 L C 2.371 179.333 176.870 0.153 0.000 1.077 211 L CA 1.467 56.424 54.840 0.194 0.000 0.747 211 L CB -0.883 41.291 42.059 0.191 0.000 0.896 211 L HN -0.080 nan 8.230 nan 0.000 0.432 212 K N -0.078 120.411 120.400 0.148 0.000 2.209 212 K HA -0.086 4.234 4.320 -0.000 0.000 0.204 212 K C 1.809 178.459 176.600 0.085 0.000 1.048 212 K CA 1.119 57.473 56.287 0.111 0.000 0.940 212 K CB -0.290 32.247 32.500 0.062 0.000 0.729 212 K HN 0.378 nan 8.250 nan 0.000 0.451 213 G N 1.096 109.956 108.800 0.101 0.000 3.088 213 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.212 213 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.212 213 G C 0.147 175.056 174.900 0.015 0.000 1.173 213 G CA -0.394 44.751 45.100 0.075 0.000 0.779 213 G HN 0.172 nan 8.290 nan 0.000 0.540 214 N N 0.899 119.608 118.700 0.015 0.000 2.412 214 N HA 0.065 4.805 4.740 -0.000 0.000 0.254 214 N C 1.562 177.011 175.510 -0.101 0.000 1.232 214 N CA 0.977 53.996 53.050 -0.052 0.000 0.880 214 N CB 1.045 39.528 38.487 -0.007 0.000 1.076 214 N HN 0.035 nan 8.380 nan 0.000 0.458 215 T N -1.916 112.507 114.554 -0.217 0.000 3.054 215 T HA 0.026 4.376 4.350 -0.000 0.000 0.255 215 T C 1.201 175.839 174.700 -0.103 0.000 1.035 215 T CA 0.579 62.564 62.100 -0.191 0.000 0.941 215 T CB -0.457 68.192 68.868 -0.364 0.000 1.026 215 T HN 0.549 nan 8.240 nan 0.000 0.533 216 T N -2.249 112.253 114.554 -0.086 0.000 3.069 216 T HA 0.354 4.704 4.350 -0.000 0.000 0.252 216 T C 1.793 176.472 174.700 -0.036 0.000 1.053 216 T CA 0.358 62.432 62.100 -0.044 0.000 0.964 216 T CB -0.028 68.814 68.868 -0.044 0.000 1.005 216 T HN 0.345 nan 8.240 nan 0.000 0.532 217 G N 0.427 109.212 108.800 -0.026 0.000 3.189 217 G HA2 0.403 4.363 3.960 -0.000 0.000 0.225 217 G HA3 0.403 4.363 3.960 -0.000 0.000 0.225 217 G C 1.316 176.212 174.900 -0.005 0.000 1.159 217 G CA 0.090 45.181 45.100 -0.015 0.000 0.763 217 G HN 0.517 nan 8.290 nan 0.000 0.549 218 G N 0.806 109.604 108.800 -0.003 0.000 2.469 218 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 218 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 218 G C 1.476 176.376 174.900 0.000 0.000 1.136 218 G CA 0.770 45.872 45.100 0.003 0.000 0.759 218 G HN 0.481 nan 8.290 nan 0.000 0.562 219 Q N -0.050 119.749 119.800 -0.002 0.000 2.220 219 Q HA 0.387 4.727 4.340 -0.000 0.000 0.205 219 Q C 1.374 177.367 176.000 -0.011 0.000 0.865 219 Q CA -0.112 55.689 55.803 -0.003 0.000 0.960 219 Q CB 1.037 29.779 28.738 0.007 0.000 1.097 219 Q HN 0.394 nan 8.270 nan 0.000 0.493 220 S N -0.973 114.718 115.700 -0.014 0.000 4.213 220 S HA 0.297 4.767 4.470 -0.000 0.000 0.205 220 S C 1.423 176.011 174.600 -0.021 0.000 1.008 220 S CA -0.562 57.627 58.200 -0.019 0.000 1.742 220 S CB -0.248 62.941 63.200 -0.019 0.000 0.754 220 S HN 0.146 nan 8.310 nan 0.000 0.715 221 I N 1.850 122.411 120.570 -0.015 0.000 2.151 221 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 221 I C 2.689 178.801 176.117 -0.007 0.000 1.080 221 I CA 1.469 62.761 61.300 -0.013 0.000 1.339 221 I CB -0.383 37.615 38.000 -0.003 0.000 1.039 221 I HN 0.359 nan 8.210 nan 0.000 0.409 222 R N 0.614 121.117 120.500 0.005 0.000 2.103 222 R HA -0.193 4.147 4.340 -0.000 0.000 0.242 222 R C 2.348 178.637 176.300 -0.018 0.000 1.142 222 R CA 1.596 57.702 56.100 0.010 0.000 0.960 222 R CB -0.558 29.755 30.300 0.021 0.000 0.858 222 R HN 0.401 nan 8.270 nan 0.000 0.439 223 A N 0.404 123.210 122.820 -0.024 0.000 2.125 223 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 223 A C 1.926 179.476 177.584 -0.057 0.000 1.156 223 A CA 1.536 53.552 52.037 -0.035 0.000 0.671 223 A CB -0.385 18.598 19.000 -0.028 0.000 0.794 223 A HN 0.466 nan 8.150 nan 0.000 0.459 224 G N -1.079 107.683 108.800 -0.063 0.000 3.337 224 G HA2 0.473 4.433 3.960 -0.000 0.000 0.246 224 G HA3 0.473 4.433 3.960 -0.000 0.000 0.246 224 G C 0.125 174.947 174.900 -0.130 0.000 1.131 224 G CA -0.225 44.824 45.100 -0.085 0.000 0.773 224 G HN 0.325 nan 8.290 nan 0.000 0.544 225 L N -0.255 120.874 121.223 -0.157 0.000 2.323 225 L HA 0.457 4.797 4.340 -0.000 0.000 0.265 225 L C -2.406 174.211 176.870 -0.422 0.000 1.012 225 L CA -2.396 52.256 54.840 -0.313 0.000 0.820 225 L CB 2.174 44.139 42.059 -0.156 0.000 1.334 225 L HN -0.213 nan 8.230 nan 0.000 0.427 226 P HA 0.021 nan 4.420 nan 0.000 0.264 226 P C 0.195 177.312 177.300 -0.305 0.000 1.193 226 P CA 0.063 62.794 63.100 -0.615 0.000 0.763 226 P CB 0.960 31.999 31.700 -1.102 0.000 0.810 227 A N 3.844 126.631 122.820 -0.055 0.000 1.986 227 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 227 A C 1.697 179.367 177.584 0.143 0.000 1.171 227 A CA 1.754 53.815 52.037 0.039 0.000 0.640 227 A CB -1.242 17.784 19.000 0.042 0.000 0.811 227 A HN 0.770 nan 8.150 nan 0.000 0.451 228 H N -3.679 115.416 119.070 0.042 0.000 2.548 228 H HA -0.003 4.553 4.556 -0.000 0.000 0.265 228 H C -0.175 175.333 175.328 0.299 0.000 0.969 228 H CA -0.252 55.882 56.048 0.144 0.000 1.155 228 H CB -0.671 29.174 29.762 0.139 0.000 1.394 228 H HN 0.483 nan 8.280 nan 0.000 0.570 229 W N 1.933 123.036 121.300 -0.328 0.000 2.181 229 W HA 0.272 4.932 4.660 -0.000 0.000 0.335 229 W C 0.035 176.540 176.519 -0.023 0.000 1.310 229 W CA -0.835 56.379 57.345 -0.218 0.000 1.226 229 W CB 0.442 29.800 29.460 -0.170 0.000 1.155 229 W HN -0.214 nan 8.180 nan 0.000 0.565 230 V N 4.583 124.644 119.914 0.245 0.000 2.432 230 V HA 0.395 4.515 4.120 -0.000 0.000 0.275 230 V C 0.016 176.327 176.094 0.362 0.000 1.043 230 V CA -0.742 61.697 62.300 0.231 0.000 0.925 230 V CB 0.861 32.757 31.823 0.121 0.000 0.985 230 V HN 0.250 nan 8.190 nan 0.000 0.466 231 V N 3.433 123.516 119.914 0.281 0.000 2.789 231 V HA 0.842 4.962 4.120 -0.000 0.000 0.311 231 V C 0.339 176.581 176.094 0.247 0.000 1.073 231 V CA -0.473 61.992 62.300 0.275 0.000 0.921 231 V CB 2.169 34.098 31.823 0.177 0.000 1.009 231 V HN 0.940 nan 8.190 nan 0.000 0.426 232 G N 2.499 111.460 108.800 0.267 0.000 2.530 232 G HA2 0.773 4.733 3.960 -0.000 0.000 0.316 232 G HA3 0.773 4.733 3.960 -0.000 0.000 0.316 232 G C -1.499 173.480 174.900 0.133 0.000 1.298 232 G CA -0.269 44.961 45.100 0.217 0.000 0.948 232 G HN 0.810 nan 8.290 nan 0.000 0.486 233 D N 0.238 120.699 120.400 0.101 0.000 2.639 233 D HA 0.529 5.169 4.640 -0.000 0.000 0.271 233 D C -1.471 174.865 176.300 0.060 0.000 1.254 233 D CA -0.851 53.191 54.000 0.069 0.000 0.810 233 D CB 2.434 43.263 40.800 0.047 0.000 1.351 233 D HN 0.312 nan 8.370 nan 0.000 0.427 234 K N 0.674 121.105 120.400 0.052 0.000 2.578 234 K HA 0.404 4.724 4.320 -0.000 0.000 0.250 234 K C -0.672 175.947 176.600 0.032 0.000 0.955 234 K CA -0.308 56.006 56.287 0.045 0.000 0.825 234 K CB 1.472 34.013 32.500 0.068 0.000 1.151 234 K HN 0.607 nan 8.250 nan 0.000 0.432 235 T N -0.137 114.416 114.554 -0.003 0.000 2.824 235 T HA 0.845 5.195 4.350 -0.000 0.000 0.277 235 T C 0.328 174.991 174.700 -0.063 0.000 0.975 235 T CA -0.518 61.560 62.100 -0.036 0.000 0.966 235 T CB 1.463 70.283 68.868 -0.081 0.000 1.054 235 T HN 0.610 nan 8.240 nan 0.000 0.533 236 G N -1.064 107.663 108.800 -0.123 0.000 2.755 236 G HA2 0.692 4.652 3.960 -0.000 0.000 0.297 236 G HA3 0.692 4.652 3.960 -0.000 0.000 0.297 236 G C -1.577 173.128 174.900 -0.324 0.000 1.441 236 G CA -0.504 44.490 45.100 -0.176 0.000 0.964 236 G HN 1.125 nan 8.290 nan 0.000 0.540 237 A N -0.028 122.511 122.820 -0.468 0.000 2.488 237 A HA 0.905 5.225 4.320 -0.000 0.000 0.295 237 A C -0.094 177.230 177.584 -0.433 0.000 1.045 237 A CA -0.096 51.447 52.037 -0.823 0.000 0.703 237 A CB 0.708 18.573 19.000 -1.892 0.000 1.271 237 A HN 2.410 nan 8.150 nan 0.000 0.400 241 Y N 0.764 121.087 120.300 0.038 0.000 3.825 241 Y HA -0.105 4.445 4.550 -0.000 0.000 0.221 241 Y C 1.344 177.263 175.900 0.032 0.000 1.195 241 Y CA 1.382 59.485 58.100 0.006 0.000 1.699 241 Y CB -1.657 36.791 38.460 -0.021 0.000 1.531 241 Y HN 0.857 nan 8.280 nan 0.000 0.640 242 G N -0.035 108.864 108.800 0.164 0.000 2.296 242 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.282 242 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.282 242 G C 0.275 175.401 174.900 0.377 0.000 1.014 242 G CA 0.633 45.900 45.100 0.278 0.000 0.812 242 G HN 0.573 nan 8.290 nan 0.000 0.508 243 T N 1.472 116.212 114.554 0.310 0.000 2.817 243 T HA 0.439 4.789 4.350 -0.000 0.000 0.295 243 T C 0.524 175.294 174.700 0.116 0.000 0.958 243 T CA 1.011 63.208 62.100 0.163 0.000 1.157 243 T CB 0.773 69.698 68.868 0.095 0.000 0.898 243 T HN 0.310 nan 8.240 nan 0.000 0.536 244 T N 5.774 120.423 114.554 0.158 0.000 2.847 244 T HA 0.458 4.808 4.350 -0.000 0.000 0.291 244 T C -0.232 174.525 174.700 0.095 0.000 0.998 244 T CA -1.015 61.127 62.100 0.069 0.000 0.967 244 T CB 0.782 69.790 68.868 0.234 0.000 0.954 244 T HN 0.423 nan 8.240 nan 0.000 0.441 245 N N 2.014 120.712 118.700 -0.004 0.000 2.469 245 N HA 0.757 5.496 4.740 -0.000 0.000 0.286 245 N C -1.441 174.118 175.510 0.082 0.000 1.275 245 N CA -0.688 52.427 53.050 0.108 0.000 0.790 245 N CB 2.126 40.646 38.487 0.055 0.000 1.446 245 N HN 0.598 nan 8.380 nan 0.000 0.501 246 D N 0.151 120.639 120.400 0.148 0.000 2.812 246 D HA 0.371 5.011 4.640 -0.000 0.000 0.210 246 D C -1.365 174.962 176.300 0.045 0.000 1.260 246 D CA -0.451 53.590 54.000 0.068 0.000 0.817 246 D CB 1.111 41.922 40.800 0.020 0.000 1.694 246 D HN 0.496 nan 8.370 nan 0.000 0.530 247 I N -0.137 120.456 120.570 0.039 0.000 2.608 247 I HA 1.015 5.185 4.170 -0.000 0.000 0.295 247 I C -1.078 175.040 176.117 0.001 0.000 1.049 247 I CA -0.762 60.533 61.300 -0.008 0.000 1.063 247 I CB 2.017 40.027 38.000 0.016 0.000 1.248 247 I HN 0.447 nan 8.210 nan 0.000 0.424 248 A N 4.599 127.403 122.820 -0.028 0.000 2.606 248 A HA 0.795 5.115 4.320 -0.000 0.000 0.293 248 A C -1.580 175.957 177.584 -0.078 0.000 1.082 248 A CA -0.641 51.384 52.037 -0.019 0.000 0.685 248 A CB 1.935 20.936 19.000 0.002 0.000 1.284 248 A HN 0.571 nan 8.150 nan 0.000 0.408 249 V N 1.518 121.372 119.914 -0.100 0.000 2.417 249 V HA 0.552 4.672 4.120 -0.000 0.000 0.291 249 V C -0.595 175.274 176.094 -0.374 0.000 1.024 249 V CA -0.146 61.963 62.300 -0.319 0.000 0.861 249 V CB 1.163 32.760 31.823 -0.376 0.000 0.985 249 V HN 0.646 nan 8.190 nan 0.000 0.436 250 I N 3.702 123.981 120.570 -0.486 0.000 2.465 250 I HA 0.414 4.584 4.170 -0.000 0.000 0.291 250 I C -0.858 174.967 176.117 -0.488 0.000 1.014 250 I CA -0.366 60.766 61.300 -0.281 0.000 1.093 250 I CB 2.089 40.043 38.000 -0.077 0.000 1.267 250 I HN 0.517 nan 8.210 nan 0.000 0.431 251 W N 7.934 129.139 121.300 -0.158 0.000 2.298 251 W HA 0.319 4.979 4.660 -0.000 0.000 0.327 251 W C -2.446 173.780 176.519 -0.489 0.000 0.988 251 W CA -1.459 55.735 57.345 -0.251 0.000 1.448 251 W CB 1.436 30.806 29.460 -0.151 0.000 1.243 251 W HN 0.180 nan 8.180 nan 0.000 0.388 255 D N 1.087 121.468 120.400 -0.032 0.000 2.388 255 D HA 0.145 4.785 4.640 -0.000 0.000 0.221 255 D C 0.067 176.352 176.300 -0.026 0.000 1.133 255 D CA -0.065 53.926 54.000 -0.014 0.000 0.831 255 D CB 0.087 40.889 40.800 0.003 0.000 0.962 255 D HN 0.047 nan 8.370 nan 0.000 0.502 256 R N 0.237 120.691 120.500 -0.077 0.000 2.596 256 R HA 0.668 5.008 4.340 -0.000 0.000 0.267 256 R C 0.170 176.417 176.300 -0.088 0.000 1.026 256 R CA -0.896 55.151 56.100 -0.089 0.000 1.087 256 R CB 1.006 31.225 30.300 -0.135 0.000 1.132 256 R HN 0.073 nan 8.270 nan 0.000 0.531 257 A N 3.382 126.152 122.820 -0.083 0.000 2.565 257 A HA 0.117 4.437 4.320 -0.000 0.000 0.237 257 A C -1.852 175.615 177.584 -0.194 0.000 1.053 257 A CA -0.756 51.227 52.037 -0.090 0.000 0.755 257 A CB -0.537 18.413 19.000 -0.082 0.000 0.980 257 A HN 0.446 nan 8.150 nan 0.000 0.506 258 P HA 0.256 nan 4.420 nan 0.000 0.270 258 P C -0.825 176.221 177.300 -0.423 0.000 1.223 258 P CA 0.212 62.966 63.100 -0.577 0.000 0.785 258 P CB 0.525 31.623 31.700 -1.004 0.000 0.923 259 L N 0.951 121.909 121.223 -0.443 0.000 2.342 259 L HA 0.550 4.890 4.340 -0.000 0.000 0.271 259 L C -0.121 176.575 176.870 -0.289 0.000 1.008 259 L CA -1.284 53.384 54.840 -0.287 0.000 0.818 259 L CB 2.123 44.057 42.059 -0.208 0.000 1.296 259 L HN 0.066 nan 8.230 nan 0.000 0.427 260 V N 3.535 123.327 119.914 -0.205 0.000 2.409 260 V HA 0.480 4.600 4.120 -0.000 0.000 0.291 260 V C -0.599 175.417 176.094 -0.130 0.000 1.020 260 V CA -0.449 61.745 62.300 -0.176 0.000 0.848 260 V CB 1.961 33.694 31.823 -0.150 0.000 0.990 260 V HN 0.450 nan 8.190 nan 0.000 0.430 261 L N 6.378 127.531 121.223 -0.118 0.000 2.386 261 L HA 0.813 5.153 4.340 -0.000 0.000 0.271 261 L C -0.909 175.885 176.870 -0.127 0.000 0.993 261 L CA -0.185 54.592 54.840 -0.106 0.000 0.819 261 L CB 2.201 44.215 42.059 -0.075 0.000 1.294 261 L HN 0.402 nan 8.230 nan 0.000 0.414 262 V N 3.038 122.844 119.914 -0.180 0.000 2.487 262 V HA 0.641 4.761 4.120 -0.000 0.000 0.298 262 V C -0.399 175.508 176.094 -0.311 0.000 1.028 262 V CA -0.253 61.865 62.300 -0.302 0.000 0.860 262 V CB 2.016 33.560 31.823 -0.465 0.000 0.991 262 V HN 0.863 nan 8.190 nan 0.000 0.427 263 T N 1.891 116.298 114.554 -0.245 0.000 2.892 263 T HA 0.661 5.011 4.350 -0.000 0.000 0.311 263 T C -1.126 173.577 174.700 0.005 0.000 1.033 263 T CA -0.584 61.435 62.100 -0.135 0.000 0.991 263 T CB 0.636 69.468 68.868 -0.059 0.000 0.981 263 T HN 0.270 nan 8.240 nan 0.000 0.457 264 Y N 2.517 122.681 120.300 -0.227 0.000 2.409 264 Y HA 0.800 5.350 4.550 0.000 0.000 0.339 264 Y C -0.615 175.220 175.900 -0.107 0.000 1.033 264 Y CA -2.393 55.527 58.100 -0.299 0.000 1.094 264 Y CB 1.862 39.863 38.460 -0.765 0.000 1.210 264 Y HN 0.801 nan 8.280 nan 0.000 0.456 265 F N 1.220 121.217 119.950 0.078 0.000 2.604 265 F HA 0.561 5.088 4.527 -0.000 0.000 0.316 265 F C -0.964 174.974 175.800 0.231 0.000 1.136 265 F CA -0.448 57.655 58.000 0.172 0.000 0.989 265 F CB 1.987 41.055 39.000 0.113 0.000 1.258 265 F HN 0.388 nan 8.300 nan 0.000 0.451 266 T N 4.566 118.832 114.554 -0.481 0.000 2.883 266 T HA 0.595 4.945 4.350 -0.000 0.000 0.301 266 T C -1.379 172.978 174.700 -0.570 0.000 1.158 266 T CA -0.337 61.547 62.100 -0.360 0.000 1.007 266 T CB 1.807 70.642 68.868 -0.056 0.000 1.186 266 T HN 0.755 nan 8.240 nan 0.000 0.499 267 Q N 1.858 121.499 119.800 -0.265 0.000 2.445 267 Q HA 0.406 4.746 4.340 -0.000 0.000 0.281 267 Q C -1.889 174.132 176.000 0.035 0.000 1.101 267 Q CA -2.164 53.551 55.803 -0.147 0.000 0.833 267 Q CB 1.821 30.517 28.738 -0.070 0.000 1.416 267 Q HN 0.318 nan 8.270 nan 0.000 0.451 268 P HA -0.122 nan 4.420 nan 0.000 0.219 268 P C -0.668 176.738 177.300 0.176 0.000 1.150 268 P CA 1.094 64.252 63.100 0.098 0.000 0.814 268 P CB 0.376 32.106 31.700 0.050 0.000 0.787 269 Q N -0.538 119.314 119.800 0.088 0.000 2.256 269 Q HA 0.185 4.525 4.340 -0.000 0.000 0.254 269 Q C 1.238 177.092 176.000 -0.242 0.000 0.916 269 Q CA -0.058 55.729 55.803 -0.027 0.000 0.932 269 Q CB 0.508 29.215 28.738 -0.051 0.000 1.207 269 Q HN 0.109 nan 8.270 nan 0.000 0.426 270 Q N 2.090 121.539 119.800 -0.585 0.000 2.135 270 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 270 Q C 0.221 175.889 176.000 -0.554 0.000 0.981 270 Q CA 1.860 56.967 55.803 -1.159 0.000 0.856 270 Q CB 0.291 28.518 28.738 -0.852 0.000 0.902 270 Q HN 0.833 nan 8.270 nan 0.000 0.425 271 D N -0.575 119.630 120.400 -0.325 0.000 2.388 271 D HA 0.166 4.806 4.640 -0.000 0.000 0.221 271 D C -0.169 176.013 176.300 -0.198 0.000 1.133 271 D CA 0.149 54.007 54.000 -0.235 0.000 0.831 271 D CB -0.102 40.588 40.800 -0.183 0.000 0.962 271 D HN 0.286 nan 8.370 nan 0.000 0.502 272 A N 0.925 123.648 122.820 -0.161 0.000 2.483 272 A HA 0.198 4.518 4.320 -0.000 0.000 0.238 272 A C 0.696 178.189 177.584 -0.152 0.000 1.070 272 A CA -0.117 51.862 52.037 -0.096 0.000 0.770 272 A CB 0.545 19.535 19.000 -0.017 0.000 1.008 272 A HN -0.007 nan 8.150 nan 0.000 0.497 273 K N 0.792 121.122 120.400 -0.117 0.000 2.154 273 K HA 0.147 4.467 4.320 -0.000 0.000 0.264 273 K C -0.259 176.344 176.600 0.004 0.000 1.008 273 K CA -0.217 55.961 56.287 -0.183 0.000 0.937 273 K CB 0.429 32.869 32.500 -0.100 0.000 1.002 273 K HN 0.717 nan 8.250 nan 0.000 0.469 274 W N 1.637 122.966 121.300 0.048 0.000 2.170 274 W HA 0.127 4.786 4.660 -0.000 0.000 0.336 274 W C 0.690 177.266 176.519 0.095 0.000 1.283 274 W CA -0.295 57.098 57.345 0.080 0.000 1.224 274 W CB 0.063 29.547 29.460 0.040 0.000 1.132 274 W HN 0.142 nan 8.180 nan 0.000 0.571 275 R N 2.440 123.168 120.500 0.381 0.000 2.724 275 R HA 0.139 4.479 4.340 -0.000 0.000 0.284 275 R C 0.993 177.342 176.300 0.082 0.000 1.481 275 R CA -0.476 55.739 56.100 0.191 0.000 1.652 275 R CB 0.328 30.717 30.300 0.147 0.000 1.175 275 R HN 0.519 nan 8.270 nan 0.000 0.613 276 K N 0.602 121.053 120.400 0.085 0.000 2.147 276 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 276 K C 1.225 177.811 176.600 -0.024 0.000 1.049 276 K CA 1.681 57.982 56.287 0.024 0.000 0.936 276 K CB 0.260 32.776 32.500 0.027 0.000 0.722 276 K HN 0.382 nan 8.250 nan 0.000 0.446 277 D N 0.856 121.240 120.400 -0.026 0.000 2.182 277 D HA -0.143 4.497 4.640 -0.000 0.000 0.201 277 D C 1.766 178.002 176.300 -0.107 0.000 0.986 277 D CA 0.944 54.912 54.000 -0.053 0.000 0.847 277 D CB -0.432 40.345 40.800 -0.039 0.000 0.942 277 D HN -0.002 nan 8.370 nan 0.000 0.467 278 V N 0.952 120.760 119.914 -0.175 0.000 2.427 278 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 278 V C 2.753 178.706 176.094 -0.234 0.000 1.051 278 V CA 0.943 63.061 62.300 -0.302 0.000 1.048 278 V CB -0.425 30.989 31.823 -0.682 0.000 0.666 278 V HN 0.221 nan 8.190 nan 0.000 0.456 279 L N 0.017 121.146 121.223 -0.156 0.000 2.093 279 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 279 L C 2.752 179.574 176.870 -0.081 0.000 1.085 279 L CA 1.455 56.239 54.840 -0.093 0.000 0.755 279 L CB -0.890 41.146 42.059 -0.039 0.000 0.904 279 L HN 0.357 nan 8.230 nan 0.000 0.435 280 A N 0.371 123.146 122.820 -0.075 0.000 1.902 280 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 280 A C 2.564 180.101 177.584 -0.077 0.000 1.181 280 A CA 1.734 53.732 52.037 -0.065 0.000 0.623 280 A CB -0.617 18.349 19.000 -0.056 0.000 0.818 280 A HN 0.388 nan 8.150 nan 0.000 0.443 281 A N -0.098 122.666 122.820 -0.094 0.000 1.877 281 A HA 0.159 4.478 4.320 -0.000 0.000 0.216 281 A C 2.525 180.049 177.584 -0.100 0.000 1.186 281 A CA 2.141 54.119 52.037 -0.097 0.000 0.620 281 A CB -1.082 17.851 19.000 -0.113 0.000 0.822 281 A HN 1.079 nan 8.150 nan 0.000 0.443 282 A N -0.142 122.608 122.820 -0.116 0.000 1.902 282 A HA 0.131 4.451 4.320 -0.000 0.000 0.217 282 A C 2.506 180.043 177.584 -0.079 0.000 1.181 282 A CA 2.208 54.178 52.037 -0.112 0.000 0.623 282 A CB -1.024 17.904 19.000 -0.119 0.000 0.818 282 A HN 1.060 nan 8.150 nan 0.000 0.443 283 A N -0.154 122.626 122.820 -0.066 0.000 1.877 283 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 283 A C 2.150 179.711 177.584 -0.039 0.000 1.186 283 A CA 2.043 54.054 52.037 -0.042 0.000 0.620 283 A CB -0.521 18.459 19.000 -0.035 0.000 0.822 283 A HN 0.558 nan 8.150 nan 0.000 0.443 284 K N -0.306 120.059 120.400 -0.059 0.000 2.063 284 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 284 K C 1.843 178.414 176.600 -0.049 0.000 1.048 284 K CA 1.747 57.993 56.287 -0.067 0.000 0.928 284 K CB -0.340 32.114 32.500 -0.076 0.000 0.713 284 K HN 0.527 nan 8.250 nan 0.000 0.442 285 I N 0.963 121.502 120.570 -0.052 0.000 2.142 285 I HA -0.248 3.922 4.170 -0.000 0.000 0.240 285 I C 2.239 178.341 176.117 -0.024 0.000 1.078 285 I CA 1.310 62.583 61.300 -0.045 0.000 1.343 285 I CB -0.245 37.716 38.000 -0.066 0.000 1.046 285 I HN 0.118 nan 8.210 nan 0.000 0.405 286 V N -2.022 117.878 119.914 -0.023 0.000 3.217 286 V HA -0.055 4.065 4.120 -0.000 0.000 0.264 286 V C 1.945 178.054 176.094 0.024 0.000 1.135 286 V CA 1.642 63.939 62.300 -0.005 0.000 1.142 286 V CB -1.187 30.627 31.823 -0.015 0.000 0.754 286 V HN 0.585 nan 8.190 nan 0.000 0.484 287 T N -3.323 111.259 114.554 0.048 0.000 3.054 287 T HA 0.167 4.517 4.350 -0.000 0.000 0.255 287 T C 0.769 175.561 174.700 0.154 0.000 1.035 287 T CA -0.069 62.109 62.100 0.130 0.000 0.941 287 T CB -0.125 68.880 68.868 0.227 0.000 1.026 287 T HN 0.483 nan 8.240 nan 0.000 0.533 288 E N 1.875 122.116 120.200 0.068 0.000 2.480 288 E HA 0.241 4.591 4.350 -0.000 0.000 0.258 288 E C 1.372 178.025 176.600 0.088 0.000 0.984 288 E CA 1.265 57.698 56.400 0.055 0.000 0.930 288 E CB 0.051 29.759 29.700 0.014 0.000 0.936 288 E HN 0.626 nan 8.360 nan 0.000 0.466 289 G N 4.395 113.266 108.800 0.118 0.000 2.179 289 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.260 289 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.260 289 G C 0.361 175.341 174.900 0.134 0.000 0.977 289 G CA 0.583 45.751 45.100 0.113 0.000 0.641 289 G HN 0.494 nan 8.290 nan 0.000 0.533 290 K N 0.000 120.516 120.400 0.194 0.000 2.780 290 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 290 K CA 0.000 56.347 56.287 0.099 0.000 0.838 290 K CB 0.000 32.537 32.500 0.062 0.000 1.064 290 K HN 0.000 nan 8.250 nan 0.000 0.543