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 1t5e_1_B DATA FIRST_RESID 29 DATA SEQUENCE TELPGRTNAF RIAEVRPQVN GIILKRLFKE GSDVKAGQQL YQIDPATYEA DATA SEQUENCE DYQSAQANLA STQEQAQRYK LLVADQAVSK QQYADANAAY LQSKAAVEQA DATA SEQUENCE RINLRYTKVL SPISGRIGRS AVTEGALVTN GQANAMATVQ QLDPIYVDVT DATA SEQUENCE QPSTALLRLR RELASGQLER AGDNAAKVSL KLEDGSQYPL EGRLEFSEVS DATA SEQUENCE VDEGTGSVTI RAVFPNPNNE LLPGMFVHAQ L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 29 T HA 0.000 nan 4.350 nan 0.000 0.228 29 T C 0.000 174.730 174.700 0.050 0.000 1.109 29 T CA 0.000 62.124 62.100 0.041 0.000 1.349 29 T CB 0.000 68.901 68.868 0.055 0.000 0.612 30 E N 2.825 123.045 120.200 0.033 0.000 2.129 30 E HA 0.490 4.840 4.350 0.000 0.000 0.268 30 E C -0.626 176.033 176.600 0.099 0.000 0.900 30 E CA -0.632 55.792 56.400 0.041 0.000 0.755 30 E CB 1.342 30.998 29.700 -0.074 0.000 1.117 30 E HN 0.427 nan 8.360 nan 0.000 0.410 31 L N 5.921 127.239 121.223 0.158 0.000 2.272 31 L HA 0.439 4.779 4.340 0.000 0.000 0.289 31 L C -2.085 174.931 176.870 0.244 0.000 1.032 31 L CA -2.137 52.805 54.840 0.171 0.000 0.810 31 L CB 0.807 42.942 42.059 0.126 0.000 1.205 31 L HN 0.275 nan 8.230 nan 0.000 0.422 32 P HA 0.363 nan 4.420 nan 0.000 0.278 32 P C -0.364 176.925 177.300 -0.019 0.000 1.238 32 P CA -0.017 63.135 63.100 0.087 0.000 0.794 32 P CB 2.015 33.792 31.700 0.128 0.000 0.955 33 G N 1.649 110.377 108.800 -0.121 0.000 2.559 33 G HA2 0.506 4.466 3.960 0.000 0.000 0.291 33 G HA3 0.506 4.466 3.960 0.000 0.000 0.291 33 G C -1.493 173.297 174.900 -0.182 0.000 1.424 33 G CA -0.667 44.370 45.100 -0.106 0.000 0.786 33 G HN 0.328 nan 8.290 nan 0.000 0.485 34 R N 0.303 120.689 120.500 -0.190 0.000 2.670 34 R HA 0.621 4.961 4.340 0.000 0.000 0.289 34 R C -0.051 176.150 176.300 -0.164 0.000 0.965 34 R CA -0.600 55.338 56.100 -0.271 0.000 0.899 34 R CB 1.441 31.530 30.300 -0.351 0.000 1.173 34 R HN 0.836 nan 8.270 nan 0.000 0.456 35 T N 0.186 114.641 114.554 -0.164 0.000 2.897 35 T HA 0.452 4.802 4.350 0.000 0.000 0.294 35 T C 0.171 174.840 174.700 -0.051 0.000 1.004 35 T CA -0.698 61.347 62.100 -0.093 0.000 1.106 35 T CB 0.836 69.629 68.868 -0.124 0.000 0.949 35 T HN 0.310 nan 8.240 nan 0.000 0.520 36 N N 0.262 118.982 118.700 0.035 0.000 2.329 36 N HA 0.539 5.279 4.740 0.000 0.000 0.282 36 N C -0.546 175.034 175.510 0.117 0.000 1.198 36 N CA -0.680 52.407 53.050 0.063 0.000 0.790 36 N CB 2.192 40.726 38.487 0.078 0.000 1.579 36 N HN 0.962 nan 8.380 nan 0.000 0.475 37 A N 0.612 123.482 122.820 0.082 0.000 2.520 37 A HA 0.034 4.354 4.320 0.000 0.000 0.235 37 A C 0.817 178.487 177.584 0.143 0.000 1.065 37 A CA 0.125 52.212 52.037 0.084 0.000 0.764 37 A CB -0.207 18.825 19.000 0.053 0.000 1.002 37 A HN 0.713 nan 8.150 nan 0.000 0.502 38 F N 0.751 120.627 119.950 -0.123 0.000 2.367 38 F HA 0.156 4.683 4.527 -0.000 0.000 0.298 38 F C 1.163 176.929 175.800 -0.057 0.000 1.094 38 F CA 1.516 59.330 58.000 -0.311 0.000 1.409 38 F CB 0.064 38.829 39.000 -0.391 0.000 1.064 38 F HN 0.637 nan 8.300 nan 0.000 0.528 39 R N 0.141 120.665 120.500 0.039 0.000 2.633 39 R HA 0.445 4.785 4.340 0.000 0.000 0.255 39 R C -2.014 174.297 176.300 0.018 0.000 1.106 39 R CA -0.492 55.602 56.100 -0.011 0.000 0.959 39 R CB 1.210 31.510 30.300 -0.000 0.000 1.259 39 R HN 0.023 nan 8.270 nan 0.000 0.453 40 I N 2.619 123.190 120.570 0.002 0.000 2.545 40 I HA 0.708 4.878 4.170 0.000 0.000 0.292 40 I C -0.488 175.626 176.117 -0.004 0.000 1.040 40 I CA -0.893 60.408 61.300 0.002 0.000 1.068 40 I CB 2.175 40.177 38.000 0.003 0.000 1.251 40 I HN 0.708 nan 8.210 nan 0.000 0.424 41 A N 4.751 127.568 122.820 -0.006 0.000 2.454 41 A HA 0.766 5.086 4.320 0.000 0.000 0.302 41 A C -1.078 176.503 177.584 -0.005 0.000 1.079 41 A CA -0.590 51.443 52.037 -0.007 0.000 0.731 41 A CB 1.699 20.693 19.000 -0.010 0.000 1.299 41 A HN 0.733 nan 8.150 nan 0.000 0.413 42 E N 0.216 120.417 120.200 0.001 0.000 2.195 42 E HA 0.533 4.883 4.350 0.000 0.000 0.271 42 E C -1.218 175.394 176.600 0.019 0.000 0.923 42 E CA -0.786 55.620 56.400 0.009 0.000 0.790 42 E CB 2.237 31.943 29.700 0.009 0.000 1.155 42 E HN 0.399 nan 8.360 nan 0.000 0.402 43 V N 3.474 123.410 119.914 0.037 0.000 2.370 43 V HA 0.471 4.591 4.120 0.000 0.000 0.279 43 V C -0.030 176.099 176.094 0.058 0.000 1.029 43 V CA -0.561 61.780 62.300 0.068 0.000 0.870 43 V CB 0.750 32.650 31.823 0.128 0.000 0.984 43 V HN 0.596 nan 8.190 nan 0.000 0.451 44 R N 4.943 125.467 120.500 0.041 0.000 2.771 44 R HA 0.593 4.933 4.340 0.000 0.000 0.274 44 R C -2.843 173.456 176.300 -0.001 0.000 0.987 44 R CA -1.685 54.418 56.100 0.005 0.000 0.908 44 R CB 2.851 33.149 30.300 -0.003 0.000 1.213 44 R HN 0.491 nan 8.270 nan 0.000 0.468 45 P HA 0.159 nan 4.420 nan 0.000 0.282 45 P C -0.986 176.268 177.300 -0.078 0.000 1.249 45 P CA -0.372 62.702 63.100 -0.044 0.000 0.806 45 P CB 1.200 32.860 31.700 -0.068 0.000 0.984 46 Q N 0.097 119.820 119.800 -0.129 0.000 2.084 46 Q HA 0.418 4.758 4.340 0.000 0.000 0.230 46 Q C -0.450 175.318 176.000 -0.387 0.000 0.806 46 Q CA -0.173 55.434 55.803 -0.326 0.000 1.083 46 Q CB 1.443 29.811 28.738 -0.616 0.000 1.208 46 Q HN 0.196 nan 8.270 nan 0.000 0.462 47 V N 0.169 119.968 119.914 -0.192 0.000 3.147 47 V HA 0.298 4.418 4.120 0.000 0.000 0.299 47 V C -1.596 174.499 176.094 0.002 0.000 1.302 47 V CA -0.772 61.447 62.300 -0.136 0.000 1.015 47 V CB 2.620 34.293 31.823 -0.250 0.000 1.086 47 V HN 0.290 nan 8.190 nan 0.000 0.437 48 N N 2.276 121.055 118.700 0.131 0.000 2.518 48 N HA 0.757 5.497 4.740 0.000 0.000 0.283 48 N C -0.012 175.617 175.510 0.198 0.000 1.119 48 N CA 0.390 53.518 53.050 0.130 0.000 0.983 48 N CB 1.601 40.147 38.487 0.099 0.000 1.139 48 N HN 1.102 nan 8.380 nan 0.000 0.465 49 G N 0.622 109.484 108.800 0.103 0.000 2.317 49 G HA2 0.178 4.138 3.960 0.000 0.000 0.293 49 G HA3 0.178 4.138 3.960 0.000 0.000 0.293 49 G C -1.921 173.008 174.900 0.049 0.000 1.287 49 G CA -0.715 44.446 45.100 0.102 0.000 0.850 49 G HN 0.294 nan 8.290 nan 0.000 0.515 50 I N 1.291 121.891 120.570 0.050 0.000 2.377 50 I HA 0.358 4.528 4.170 0.000 0.000 0.293 50 I C 0.260 176.398 176.117 0.034 0.000 0.987 50 I CA -0.994 60.322 61.300 0.028 0.000 1.185 50 I CB 1.452 39.465 38.000 0.023 0.000 1.341 50 I HN 0.288 nan 8.210 nan 0.000 0.455 51 I N 6.868 127.448 120.570 0.015 0.000 2.578 51 I HA -0.086 4.084 4.170 0.000 0.000 0.286 51 I C 1.127 177.277 176.117 0.054 0.000 1.126 51 I CA 0.178 61.497 61.300 0.030 0.000 1.380 51 I CB 0.340 38.344 38.000 0.008 0.000 1.408 51 I HN 0.513 nan 8.210 nan 0.000 0.532 52 L N 7.722 128.987 121.223 0.071 0.000 2.084 52 L HA 0.087 4.427 4.340 0.000 0.000 0.202 52 L C 0.796 177.702 176.870 0.061 0.000 1.074 52 L CA 1.719 56.595 54.840 0.060 0.000 0.757 52 L CB -0.063 42.033 42.059 0.061 0.000 0.918 52 L HN 0.521 nan 8.230 nan 0.000 0.444 53 K N -0.939 119.514 120.400 0.088 0.000 2.502 53 K HA 0.361 4.681 4.320 0.000 0.000 0.257 53 K C -0.930 175.736 176.600 0.109 0.000 0.938 53 K CA -0.760 55.568 56.287 0.069 0.000 0.819 53 K CB 2.366 34.888 32.500 0.037 0.000 1.333 53 K HN -0.234 nan 8.250 nan 0.000 0.434 54 R N 4.130 124.638 120.500 0.014 0.000 2.332 54 R HA 0.226 4.566 4.340 0.000 0.000 0.306 54 R C -0.335 175.798 176.300 -0.279 0.000 1.117 54 R CA -0.300 55.708 56.100 -0.153 0.000 1.108 54 R CB 0.098 30.265 30.300 -0.223 0.000 1.126 54 R HN 0.670 nan 8.270 nan 0.000 0.548 55 L N 5.903 127.029 121.223 -0.162 0.000 2.855 55 L HA 0.160 4.500 4.340 0.000 0.000 0.257 55 L C -0.242 176.635 176.870 0.012 0.000 1.206 55 L CA 0.072 54.872 54.840 -0.068 0.000 1.042 55 L CB -1.207 40.853 42.059 0.001 0.000 1.321 55 L HN 0.360 nan 8.230 nan 0.000 0.417 56 F N -2.137 117.719 119.950 -0.157 0.000 2.654 56 F HA 0.519 5.046 4.527 0.000 0.000 0.308 56 F C -0.585 175.160 175.800 -0.091 0.000 1.108 56 F CA -1.757 56.167 58.000 -0.126 0.000 0.957 56 F CB 1.203 40.105 39.000 -0.163 0.000 1.309 56 F HN -0.240 nan 8.300 nan 0.000 0.446 57 K N 2.643 123.144 120.400 0.168 0.000 2.276 57 K HA 0.195 4.515 4.320 0.000 0.000 0.285 57 K C -0.385 176.343 176.600 0.213 0.000 1.062 57 K CA -0.266 56.067 56.287 0.077 0.000 0.918 57 K CB 0.627 33.160 32.500 0.055 0.000 1.055 57 K HN 0.824 nan 8.250 nan 0.000 0.477 58 E N 2.307 122.573 120.200 0.111 0.000 2.465 58 E HA -0.035 4.315 4.350 0.000 0.000 0.260 58 E C 0.697 177.377 176.600 0.133 0.000 0.980 58 E CA 0.902 57.418 56.400 0.193 0.000 0.927 58 E CB 0.324 30.081 29.700 0.094 0.000 0.934 58 E HN 0.984 nan 8.360 nan 0.000 0.459 59 G N 2.516 111.392 108.800 0.127 0.000 2.148 59 G HA2 -0.326 3.634 3.960 0.000 0.000 0.254 59 G HA3 -0.326 3.634 3.960 0.000 0.000 0.254 59 G C 0.425 175.356 174.900 0.052 0.000 0.981 59 G CA 0.557 45.697 45.100 0.068 0.000 0.670 59 G HN 0.663 nan 8.290 nan 0.000 0.528 60 S N -0.964 114.777 115.700 0.068 0.000 2.623 60 S HA 0.685 5.155 4.470 0.000 0.000 0.278 60 S C -0.404 174.199 174.600 0.006 0.000 1.148 60 S CA -0.358 57.867 58.200 0.041 0.000 1.028 60 S CB 1.946 65.184 63.200 0.063 0.000 1.145 60 S HN 0.120 nan 8.310 nan 0.000 0.523 61 D N 0.296 120.694 120.400 -0.003 0.000 2.308 61 D HA 0.553 5.193 4.640 0.000 0.000 0.242 61 D C -1.305 174.974 176.300 -0.034 0.000 1.059 61 D CA -0.210 53.776 54.000 -0.023 0.000 0.830 61 D CB 1.995 42.786 40.800 -0.016 0.000 1.161 61 D HN 0.338 nan 8.370 nan 0.000 0.494 62 V N 2.395 122.273 119.914 -0.061 0.000 2.914 62 V HA 0.445 4.565 4.120 0.000 0.000 0.314 62 V C -1.063 174.995 176.094 -0.060 0.000 1.084 62 V CA -0.669 61.587 62.300 -0.073 0.000 0.963 62 V CB 2.295 34.030 31.823 -0.146 0.000 1.025 62 V HN 0.356 nan 8.190 nan 0.000 0.432 63 K N 4.024 124.395 120.400 -0.049 0.000 2.159 63 K HA 0.748 5.068 4.320 0.000 0.000 0.266 63 K C -0.130 176.446 176.600 -0.039 0.000 0.975 63 K CA -0.254 56.011 56.287 -0.037 0.000 0.865 63 K CB 1.784 34.268 32.500 -0.027 0.000 1.087 63 K HN 0.932 nan 8.250 nan 0.000 0.446 64 A N 1.373 124.174 122.820 -0.031 0.000 2.567 64 A HA 0.344 4.664 4.320 0.000 0.000 0.240 64 A C 1.222 178.790 177.584 -0.026 0.000 1.053 64 A CA 1.138 53.158 52.037 -0.028 0.000 0.755 64 A CB -0.739 18.250 19.000 -0.018 0.000 0.978 64 A HN 0.983 nan 8.150 nan 0.000 0.507 65 G N 0.715 109.498 108.800 -0.028 0.000 2.194 65 G HA2 -0.231 3.729 3.960 0.000 0.000 0.236 65 G HA3 -0.231 3.729 3.960 0.000 0.000 0.236 65 G C 0.358 175.242 174.900 -0.026 0.000 0.987 65 G CA 0.424 45.508 45.100 -0.027 0.000 0.635 65 G HN 1.120 nan 8.290 nan 0.000 0.520 66 Q N 0.748 120.530 119.800 -0.030 0.000 2.304 66 Q HA 0.427 4.767 4.340 0.000 0.000 0.260 66 Q C 0.588 176.576 176.000 -0.020 0.000 0.965 66 Q CA -0.304 55.483 55.803 -0.027 0.000 0.898 66 Q CB 0.438 29.154 28.738 -0.037 0.000 1.196 66 Q HN 0.507 nan 8.270 nan 0.000 0.402 67 Q N 4.011 123.808 119.800 -0.005 0.000 2.255 67 Q HA -0.010 4.330 4.340 0.000 0.000 0.280 67 Q C -0.163 175.849 176.000 0.019 0.000 1.068 67 Q CA 0.231 56.043 55.803 0.016 0.000 0.911 67 Q CB 0.543 29.294 28.738 0.021 0.000 1.157 67 Q HN 0.837 nan 8.270 nan 0.000 0.380 68 L N 3.753 124.992 121.223 0.027 0.000 2.425 68 L HA 0.211 4.551 4.340 0.000 0.000 0.215 68 L C -0.237 176.545 176.870 -0.147 0.000 1.065 68 L CA 0.175 54.999 54.840 -0.026 0.000 0.842 68 L CB 0.275 42.245 42.059 -0.149 0.000 1.033 68 L HN 0.678 nan 8.230 nan 0.000 0.474 69 Y N -1.126 119.267 120.300 0.155 0.000 2.588 69 Y HA 0.481 5.031 4.550 -0.000 0.000 0.343 69 Y C -0.496 175.444 175.900 0.067 0.000 1.065 69 Y CA -1.044 57.124 58.100 0.113 0.000 1.038 69 Y CB 1.707 40.234 38.460 0.112 0.000 1.297 69 Y HN -0.214 nan 8.280 nan 0.000 0.467 70 Q N 2.070 122.016 119.800 0.243 0.000 2.309 70 Q HA 0.538 4.878 4.340 0.000 0.000 0.270 70 Q C -1.835 174.242 176.000 0.128 0.000 1.023 70 Q CA -0.205 55.683 55.803 0.142 0.000 0.758 70 Q CB 1.119 29.914 28.738 0.096 0.000 1.247 70 Q HN 0.657 nan 8.270 nan 0.000 0.455 71 I N 3.072 123.705 120.570 0.105 0.000 2.342 71 I HA 0.151 4.321 4.170 0.000 0.000 0.291 71 I C 0.149 176.334 176.117 0.113 0.000 1.010 71 I CA -0.703 60.655 61.300 0.096 0.000 1.308 71 I CB 1.068 39.119 38.000 0.085 0.000 1.400 71 I HN 0.663 nan 8.210 nan 0.000 0.488 72 D N 9.781 130.243 120.400 0.102 0.000 2.661 72 D HA -0.063 4.577 4.640 0.000 0.000 0.244 72 D C -1.533 174.859 176.300 0.153 0.000 1.196 72 D CA -0.579 53.480 54.000 0.098 0.000 0.881 72 D CB 0.937 41.778 40.800 0.067 0.000 1.141 72 D HN 0.322 nan 8.370 nan 0.000 0.530 73 P HA 0.138 nan 4.420 nan 0.000 0.267 73 P C 0.954 178.341 177.300 0.146 0.000 1.289 73 P CA -0.057 63.168 63.100 0.208 0.000 0.866 73 P CB 0.446 32.235 31.700 0.148 0.000 1.309 74 A N 1.222 124.091 122.820 0.082 0.000 1.929 74 A HA -0.236 4.084 4.320 0.000 0.000 0.221 74 A C 2.166 179.772 177.584 0.036 0.000 1.211 74 A CA 3.005 55.071 52.037 0.049 0.000 0.657 74 A CB -1.852 17.162 19.000 0.023 0.000 0.827 74 A HN 0.280 nan 8.150 nan 0.000 0.462 75 T N -1.911 112.633 114.554 -0.016 0.000 2.770 75 T HA -0.045 4.305 4.350 0.000 0.000 0.258 75 T C 1.781 176.468 174.700 -0.023 0.000 1.039 75 T CA 1.368 63.424 62.100 -0.074 0.000 1.143 75 T CB -0.529 68.214 68.868 -0.207 0.000 0.866 75 T HN 0.536 nan 8.240 nan 0.000 0.428 76 Y N 1.637 121.965 120.300 0.048 0.000 2.151 76 Y HA -0.205 4.345 4.550 0.000 0.000 0.284 76 Y C 2.822 178.778 175.900 0.093 0.000 1.166 76 Y CA 1.328 59.464 58.100 0.061 0.000 1.163 76 Y CB -0.224 38.263 38.460 0.045 0.000 0.974 76 Y HN 0.200 nan 8.280 nan 0.000 0.511 77 E N 0.621 120.967 120.200 0.244 0.000 2.077 77 E HA -0.206 4.144 4.350 0.000 0.000 0.193 77 E C 2.186 178.899 176.600 0.189 0.000 0.989 77 E CA 1.453 57.975 56.400 0.203 0.000 0.800 77 E CB -0.427 29.358 29.700 0.141 0.000 0.746 77 E HN 0.332 nan 8.360 nan 0.000 0.452 78 A N 0.787 123.679 122.820 0.120 0.000 1.898 78 A HA -0.175 4.145 4.320 0.000 0.000 0.216 78 A C 1.937 179.568 177.584 0.078 0.000 1.181 78 A CA 1.797 53.879 52.037 0.075 0.000 0.620 78 A CB -0.680 18.341 19.000 0.036 0.000 0.819 78 A HN 0.304 nan 8.150 nan 0.000 0.442 79 D N -1.496 118.964 120.400 0.099 0.000 2.117 79 D HA -0.163 4.477 4.640 0.000 0.000 0.197 79 D C 1.699 178.081 176.300 0.136 0.000 0.987 79 D CA 1.585 55.643 54.000 0.098 0.000 0.829 79 D CB -0.488 40.379 40.800 0.111 0.000 0.961 79 D HN 0.573 nan 8.370 nan 0.000 0.460 80 Y N 1.808 122.147 120.300 0.065 0.000 2.165 80 Y HA -0.205 4.345 4.550 -0.000 0.000 0.286 80 Y C 2.243 178.164 175.900 0.035 0.000 1.155 80 Y CA 1.687 59.819 58.100 0.053 0.000 1.164 80 Y CB -0.238 38.258 38.460 0.061 0.000 0.978 80 Y HN -0.010 nan 8.280 nan 0.000 0.513 81 Q N -1.303 118.452 119.800 -0.075 0.000 2.187 81 Q HA -0.129 4.211 4.340 0.000 0.000 0.199 81 Q C 2.555 178.478 176.000 -0.128 0.000 0.957 81 Q CA 1.188 56.883 55.803 -0.180 0.000 0.857 81 Q CB -0.197 28.515 28.738 -0.044 0.000 0.929 81 Q HN 0.447 nan 8.270 nan 0.000 0.453 82 S N 0.698 116.365 115.700 -0.055 0.000 2.368 82 S HA -0.190 4.280 4.470 0.000 0.000 0.225 82 S C 1.984 176.549 174.600 -0.058 0.000 1.030 82 S CA 1.187 59.364 58.200 -0.039 0.000 0.999 82 S CB -0.131 63.064 63.200 -0.008 0.000 0.844 82 S HN 0.435 nan 8.310 nan 0.000 0.459 83 A N 0.997 123.775 122.820 -0.070 0.000 1.845 83 A HA -0.124 4.196 4.320 0.000 0.000 0.215 83 A C 2.151 179.664 177.584 -0.117 0.000 1.195 83 A CA 1.706 53.700 52.037 -0.071 0.000 0.616 83 A CB -1.139 17.839 19.000 -0.036 0.000 0.832 83 A HN 0.693 nan 8.150 nan 0.000 0.443 84 Q N -0.664 118.998 119.800 -0.230 0.000 2.173 84 Q HA -0.244 4.096 4.340 0.000 0.000 0.208 84 Q C 2.352 178.280 176.000 -0.120 0.000 0.989 84 Q CA 1.557 57.228 55.803 -0.221 0.000 0.872 84 Q CB -0.463 28.052 28.738 -0.371 0.000 0.909 84 Q HN 0.715 nan 8.270 nan 0.000 0.420 85 A N 1.419 124.176 122.820 -0.104 0.000 1.877 85 A HA -0.249 4.071 4.320 0.000 0.000 0.216 85 A C 1.933 179.493 177.584 -0.040 0.000 1.186 85 A CA 1.594 53.595 52.037 -0.061 0.000 0.620 85 A CB -0.762 18.208 19.000 -0.050 0.000 0.822 85 A HN 0.396 nan 8.150 nan 0.000 0.443 86 N N 0.235 118.911 118.700 -0.040 0.000 2.025 86 N HA -0.187 4.553 4.740 0.000 0.000 0.194 86 N C 1.807 177.311 175.510 -0.010 0.000 1.044 86 N CA 2.024 55.060 53.050 -0.024 0.000 0.851 86 N CB -0.471 38.001 38.487 -0.026 0.000 1.036 86 N HN 0.344 nan 8.380 nan 0.000 0.422 87 L N 1.545 122.758 121.223 -0.016 0.000 2.013 87 L HA -0.106 4.234 4.340 0.000 0.000 0.212 87 L C 2.403 179.305 176.870 0.053 0.000 1.073 87 L CA 2.326 57.176 54.840 0.017 0.000 0.753 87 L CB -1.396 40.657 42.059 -0.011 0.000 0.890 87 L HN 0.254 nan 8.230 nan 0.000 0.432 88 A N -1.269 121.561 122.820 0.016 0.000 1.917 88 A HA -0.288 4.032 4.320 0.000 0.000 0.219 88 A C 2.533 180.126 177.584 0.015 0.000 1.182 88 A CA 2.390 54.437 52.037 0.016 0.000 0.633 88 A CB -1.268 17.727 19.000 -0.008 0.000 0.819 88 A HN 0.645 nan 8.150 nan 0.000 0.448 89 S N -0.637 115.066 115.700 0.005 0.000 2.335 89 S HA -0.175 4.295 4.470 0.000 0.000 0.216 89 S C 2.306 176.903 174.600 -0.005 0.000 1.032 89 S CA 2.646 60.843 58.200 -0.006 0.000 1.000 89 S CB -1.028 62.166 63.200 -0.011 0.000 0.928 89 S HN 0.832 nan 8.310 nan 0.000 0.434 90 T N 0.024 114.589 114.554 0.019 0.000 2.737 90 T HA -0.229 4.121 4.350 0.000 0.000 0.269 90 T C 1.996 176.732 174.700 0.061 0.000 1.040 90 T CA 1.822 63.942 62.100 0.034 0.000 1.142 90 T CB -0.874 68.040 68.868 0.076 0.000 0.861 90 T HN 0.596 nan 8.240 nan 0.000 0.456 91 Q N 0.591 120.471 119.800 0.133 0.000 2.096 91 Q HA -0.201 4.139 4.340 0.000 0.000 0.204 91 Q C 2.570 178.503 176.000 -0.112 0.000 0.982 91 Q CA 1.632 57.450 55.803 0.025 0.000 0.850 91 Q CB -0.157 28.660 28.738 0.131 0.000 0.901 91 Q HN 0.605 nan 8.270 nan 0.000 0.422 92 E N 0.460 120.626 120.200 -0.057 0.000 2.051 92 E HA -0.269 4.081 4.350 0.000 0.000 0.192 92 E C 1.921 178.462 176.600 -0.099 0.000 0.991 92 E CA 1.723 58.083 56.400 -0.066 0.000 0.799 92 E CB -0.117 29.559 29.700 -0.041 0.000 0.748 92 E HN 0.351 nan 8.360 nan 0.000 0.449 93 Q N 0.755 120.475 119.800 -0.133 0.000 2.029 93 Q HA -0.209 4.131 4.340 0.000 0.000 0.209 93 Q C 1.995 177.811 176.000 -0.307 0.000 0.999 93 Q CA 2.891 58.533 55.803 -0.268 0.000 0.857 93 Q CB -0.752 27.813 28.738 -0.288 0.000 0.926 93 Q HN 0.298 nan 8.270 nan 0.000 0.415 94 A N 0.152 122.858 122.820 -0.190 0.000 1.841 94 A HA -0.304 4.016 4.320 0.000 0.000 0.216 94 A C 2.051 179.661 177.584 0.044 0.000 1.199 94 A CA 2.006 54.005 52.037 -0.062 0.000 0.621 94 A CB -1.022 17.876 19.000 -0.171 0.000 0.835 94 A HN 0.641 nan 8.150 nan 0.000 0.445 95 Q N -1.173 118.581 119.800 -0.076 0.000 2.242 95 Q HA -0.270 4.070 4.340 0.000 0.000 0.211 95 Q C 2.328 178.327 176.000 -0.002 0.000 0.992 95 Q CA 1.970 57.747 55.803 -0.044 0.000 0.889 95 Q CB -0.218 28.469 28.738 -0.085 0.000 0.913 95 Q HN 0.673 nan 8.270 nan 0.000 0.422 96 R N -0.595 119.914 120.500 0.015 0.000 2.055 96 R HA -0.108 4.232 4.340 0.000 0.000 0.226 96 R C 1.816 178.208 176.300 0.153 0.000 1.135 96 R CA 0.889 57.026 56.100 0.062 0.000 0.959 96 R CB -0.047 30.294 30.300 0.068 0.000 0.854 96 R HN 0.212 nan 8.270 nan 0.000 0.431 97 Y N 1.641 121.940 120.300 -0.002 0.000 2.365 97 Y HA -0.228 4.322 4.550 0.000 0.000 0.287 97 Y C 2.177 177.897 175.900 -0.299 0.000 1.162 97 Y CA 1.117 59.206 58.100 -0.017 0.000 1.260 97 Y CB -0.485 38.090 38.460 0.190 0.000 0.976 97 Y HN 0.143 nan 8.280 nan 0.000 0.548 98 K N -0.218 120.064 120.400 -0.198 0.000 2.026 98 K HA -0.150 4.170 4.320 0.000 0.000 0.208 98 K C 1.675 178.061 176.600 -0.357 0.000 1.048 98 K CA 1.150 57.082 56.287 -0.590 0.000 0.929 98 K CB -0.157 32.233 32.500 -0.184 0.000 0.713 98 K HN 0.176 nan 8.250 nan 0.000 0.439 99 L N 1.035 122.160 121.223 -0.163 0.000 2.395 99 L HA -0.015 4.325 4.340 0.000 0.000 0.218 99 L C 1.483 178.286 176.870 -0.112 0.000 1.130 99 L CA 0.969 55.741 54.840 -0.113 0.000 0.826 99 L CB -0.428 41.596 42.059 -0.057 0.000 0.941 99 L HN 0.269 nan 8.230 nan 0.000 0.451 100 L N -0.743 120.407 121.223 -0.122 0.000 2.805 100 L HA 0.070 4.410 4.340 0.000 0.000 0.237 100 L C 1.328 178.094 176.870 -0.173 0.000 1.252 100 L CA -0.250 54.513 54.840 -0.129 0.000 1.064 100 L CB 0.164 42.141 42.059 -0.136 0.000 1.361 100 L HN -0.009 nan 8.230 nan 0.000 0.474 101 V N -1.407 118.395 119.914 -0.187 0.000 3.102 101 V HA 0.122 4.242 4.120 0.000 0.000 0.225 101 V C 2.253 178.279 176.094 -0.114 0.000 1.301 101 V CA 1.092 63.289 62.300 -0.171 0.000 1.308 101 V CB 0.443 32.108 31.823 -0.264 0.000 1.129 101 V HN 0.392 nan 8.190 nan 0.000 0.502 102 A N 0.184 122.935 122.820 -0.115 0.000 1.849 102 A HA -0.265 4.055 4.320 0.000 0.000 0.217 102 A C 1.586 179.134 177.584 -0.060 0.000 1.202 102 A CA 2.297 54.289 52.037 -0.076 0.000 0.629 102 A CB -0.683 18.274 19.000 -0.071 0.000 0.834 102 A HN 0.536 nan 8.150 nan 0.000 0.447 103 D N 0.479 120.842 120.400 -0.062 0.000 2.344 103 D HA 0.118 4.758 4.640 0.000 0.000 0.242 103 D C -0.320 175.947 176.300 -0.055 0.000 1.159 103 D CA 0.255 54.225 54.000 -0.050 0.000 0.859 103 D CB -0.402 40.371 40.800 -0.045 0.000 0.925 103 D HN 0.573 nan 8.370 nan 0.000 0.510 104 Q N -0.517 119.245 119.800 -0.063 0.000 2.402 104 Q HA -0.249 4.091 4.340 0.000 0.000 0.356 104 Q C 0.778 176.737 176.000 -0.068 0.000 1.344 104 Q CA 0.434 56.199 55.803 -0.063 0.000 1.062 104 Q CB -1.269 27.442 28.738 -0.044 0.000 1.268 104 Q HN 0.311 nan 8.270 nan 0.000 0.383 105 A N -0.502 122.264 122.820 -0.089 0.000 2.169 105 A HA 0.357 4.677 4.320 0.000 0.000 0.210 105 A C 0.579 178.082 177.584 -0.135 0.000 1.168 105 A CA 0.500 52.480 52.037 -0.094 0.000 0.813 105 A CB 1.050 19.998 19.000 -0.086 0.000 0.861 105 A HN 0.230 nan 8.150 nan 0.000 0.481 106 V N 0.629 120.440 119.914 -0.172 0.000 2.841 106 V HA 0.424 4.544 4.120 0.000 0.000 0.310 106 V C 0.119 176.130 176.094 -0.139 0.000 1.090 106 V CA -0.504 61.656 62.300 -0.233 0.000 0.930 106 V CB 1.982 33.511 31.823 -0.491 0.000 1.014 106 V HN 0.429 nan 8.190 nan 0.000 0.425 107 S N 2.913 118.553 115.700 -0.100 0.000 2.580 107 S HA 0.274 4.744 4.470 0.000 0.000 0.274 107 S C 0.832 175.447 174.600 0.024 0.000 1.329 107 S CA -0.417 57.764 58.200 -0.032 0.000 1.036 107 S CB 0.804 63.992 63.200 -0.020 0.000 0.919 107 S HN 0.698 nan 8.310 nan 0.000 0.515 108 K N 1.006 121.438 120.400 0.054 0.000 2.160 108 K HA -0.237 4.083 4.320 0.000 0.000 0.206 108 K C 2.257 178.914 176.600 0.096 0.000 1.047 108 K CA 1.732 58.086 56.287 0.113 0.000 0.930 108 K CB -0.288 32.263 32.500 0.086 0.000 0.720 108 K HN 0.778 nan 8.250 nan 0.000 0.450 109 Q N 1.602 121.436 119.800 0.057 0.000 2.112 109 Q HA -0.240 4.100 4.340 0.000 0.000 0.206 109 Q C 1.796 177.837 176.000 0.069 0.000 0.987 109 Q CA 1.929 57.760 55.803 0.048 0.000 0.858 109 Q CB -0.004 28.753 28.738 0.031 0.000 0.905 109 Q HN 0.394 nan 8.270 nan 0.000 0.420 110 Q N -1.430 118.421 119.800 0.084 0.000 1.984 110 Q HA -0.133 4.207 4.340 0.000 0.000 0.196 110 Q C 1.882 178.044 176.000 0.270 0.000 0.975 110 Q CA 1.195 57.085 55.803 0.145 0.000 0.827 110 Q CB -0.476 28.294 28.738 0.052 0.000 0.894 110 Q HN 0.492 nan 8.270 nan 0.000 0.438 111 Y N 1.414 121.796 120.300 0.137 0.000 2.348 111 Y HA -0.268 4.282 4.550 -0.000 0.000 0.285 111 Y C 1.897 177.879 175.900 0.138 0.000 1.173 111 Y CA 0.972 59.194 58.100 0.203 0.000 1.263 111 Y CB -0.393 38.131 38.460 0.106 0.000 0.974 111 Y HN 0.127 nan 8.280 nan 0.000 0.547 112 A N -0.189 122.621 122.820 -0.018 0.000 1.855 112 A HA -0.098 4.222 4.320 0.000 0.000 0.213 112 A C 2.063 179.608 177.584 -0.065 0.000 1.195 112 A CA 1.416 53.382 52.037 -0.117 0.000 0.610 112 A CB -0.687 18.298 19.000 -0.024 0.000 0.837 112 A HN 0.456 nan 8.150 nan 0.000 0.444 113 D N 0.550 120.963 120.400 0.020 0.000 2.123 113 D HA -0.122 4.518 4.640 0.000 0.000 0.196 113 D C 2.213 178.531 176.300 0.029 0.000 0.992 113 D CA 1.539 55.560 54.000 0.034 0.000 0.833 113 D CB -0.408 40.433 40.800 0.069 0.000 0.954 113 D HN 0.418 nan 8.370 nan 0.000 0.455 114 A N 1.478 124.338 122.820 0.065 0.000 1.865 114 A HA -0.219 4.101 4.320 0.000 0.000 0.217 114 A C 2.043 179.617 177.584 -0.016 0.000 1.191 114 A CA 1.526 53.572 52.037 0.016 0.000 0.623 114 A CB -0.710 18.331 19.000 0.067 0.000 0.826 114 A HN 0.166 nan 8.150 nan 0.000 0.444 115 N N 0.193 118.828 118.700 -0.107 0.000 2.453 115 N HA -0.062 4.678 4.740 0.000 0.000 0.183 115 N C 1.752 177.276 175.510 0.023 0.000 1.041 115 N CA 1.152 54.157 53.050 -0.076 0.000 0.900 115 N CB -0.193 38.103 38.487 -0.318 0.000 0.961 115 N HN 0.417 nan 8.380 nan 0.000 0.443 116 A N 0.962 123.773 122.820 -0.015 0.000 1.841 116 A HA 0.060 4.380 4.320 0.000 0.000 0.214 116 A C 2.427 180.015 177.584 0.006 0.000 1.195 116 A CA 1.707 53.740 52.037 -0.007 0.000 0.611 116 A CB -1.081 17.913 19.000 -0.011 0.000 0.835 116 A HN 0.341 nan 8.150 nan 0.000 0.443 117 A N -1.220 121.610 122.820 0.017 0.000 1.883 117 A HA -0.187 4.133 4.320 0.000 0.000 0.217 117 A C 2.163 179.763 177.584 0.027 0.000 1.186 117 A CA 1.954 53.999 52.037 0.014 0.000 0.624 117 A CB -1.012 17.997 19.000 0.015 0.000 0.822 117 A HN 0.867 nan 8.150 nan 0.000 0.444 118 Y N 0.560 120.830 120.300 -0.050 0.000 2.114 118 Y HA -0.215 4.335 4.550 -0.000 0.000 0.282 118 Y C 1.908 177.790 175.900 -0.030 0.000 1.165 118 Y CA 1.953 60.028 58.100 -0.042 0.000 1.148 118 Y CB -0.446 37.987 38.460 -0.045 0.000 0.972 118 Y HN 0.222 nan 8.280 nan 0.000 0.504 119 L N -0.078 120.995 121.223 -0.250 0.000 2.056 119 L HA -0.249 4.091 4.340 0.000 0.000 0.207 119 L C 2.567 179.297 176.870 -0.234 0.000 1.078 119 L CA 1.663 56.308 54.840 -0.326 0.000 0.749 119 L CB -0.618 41.374 42.059 -0.112 0.000 0.901 119 L HN 0.318 nan 8.230 nan 0.000 0.433 120 Q N -0.627 119.092 119.800 -0.134 0.000 2.050 120 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 120 Q C 2.412 178.350 176.000 -0.104 0.000 0.980 120 Q CA 1.817 57.565 55.803 -0.091 0.000 0.840 120 Q CB -0.172 28.536 28.738 -0.050 0.000 0.898 120 Q HN 0.412 nan 8.270 nan 0.000 0.424 121 S N 1.163 116.791 115.700 -0.120 0.000 2.353 121 S HA -0.220 4.250 4.470 0.000 0.000 0.222 121 S C 1.824 176.345 174.600 -0.133 0.000 1.035 121 S CA 1.472 59.611 58.200 -0.101 0.000 1.025 121 S CB -0.282 62.872 63.200 -0.076 0.000 0.902 121 S HN 0.285 nan 8.310 nan 0.000 0.440 122 K N 1.188 121.435 120.400 -0.255 0.000 2.127 122 K HA -0.177 4.143 4.320 0.000 0.000 0.208 122 K C 2.138 178.663 176.600 -0.126 0.000 1.047 122 K CA 1.360 57.502 56.287 -0.242 0.000 0.927 122 K CB -0.337 31.890 32.500 -0.456 0.000 0.716 122 K HN 0.338 nan 8.250 nan 0.000 0.450 123 A N 0.654 123.404 122.820 -0.117 0.000 1.897 123 A HA -0.033 4.287 4.320 0.000 0.000 0.215 123 A C 2.306 179.878 177.584 -0.020 0.000 1.181 123 A CA 1.624 53.626 52.037 -0.058 0.000 0.620 123 A CB -0.787 18.179 19.000 -0.056 0.000 0.821 123 A HN 0.456 nan 8.150 nan 0.000 0.443 124 A N -0.382 122.424 122.820 -0.022 0.000 1.908 124 A HA -0.060 4.260 4.320 0.000 0.000 0.218 124 A C 2.231 179.841 177.584 0.044 0.000 1.181 124 A CA 1.961 54.003 52.037 0.009 0.000 0.627 124 A CB -1.026 17.972 19.000 -0.003 0.000 0.818 124 A HN 0.411 nan 8.150 nan 0.000 0.445 125 V N 0.010 119.942 119.914 0.031 0.000 2.343 125 V HA -0.240 3.880 4.120 0.000 0.000 0.247 125 V C 2.625 178.814 176.094 0.157 0.000 1.051 125 V CA 2.417 64.770 62.300 0.088 0.000 1.036 125 V CB -0.744 31.098 31.823 0.032 0.000 0.654 125 V HN 0.697 nan 8.190 nan 0.000 0.451 126 E N 0.433 120.682 120.200 0.081 0.000 2.077 126 E HA -0.264 4.086 4.350 0.000 0.000 0.193 126 E C 2.153 178.794 176.600 0.070 0.000 0.989 126 E CA 1.699 58.141 56.400 0.070 0.000 0.800 126 E CB -0.356 29.361 29.700 0.029 0.000 0.746 126 E HN 0.587 nan 8.360 nan 0.000 0.452 127 Q N -0.233 119.607 119.800 0.067 0.000 2.167 127 Q HA 0.040 4.380 4.340 0.000 0.000 0.202 127 Q C 1.874 177.932 176.000 0.097 0.000 0.970 127 Q CA 1.797 57.642 55.803 0.070 0.000 0.855 127 Q CB -0.513 28.259 28.738 0.057 0.000 0.911 127 Q HN 0.308 nan 8.270 nan 0.000 0.438 128 A N 0.537 123.444 122.820 0.145 0.000 1.873 128 A HA -0.176 4.144 4.320 0.000 0.000 0.215 128 A C 2.144 179.791 177.584 0.105 0.000 1.186 128 A CA 1.510 53.671 52.037 0.207 0.000 0.616 128 A CB -0.683 18.520 19.000 0.339 0.000 0.823 128 A HN 0.425 nan 8.150 nan 0.000 0.442 129 R N -0.247 120.289 120.500 0.059 0.000 2.094 129 R HA -0.165 4.175 4.340 0.000 0.000 0.239 129 R C 1.911 178.096 176.300 -0.191 0.000 1.137 129 R CA 2.030 57.960 56.100 -0.284 0.000 0.943 129 R CB -0.415 29.826 30.300 -0.098 0.000 0.850 129 R HN 0.443 nan 8.270 nan 0.000 0.433 130 I N 1.840 122.376 120.570 -0.056 0.000 2.151 130 I HA -0.306 3.864 4.170 0.000 0.000 0.243 130 I C 1.862 178.016 176.117 0.063 0.000 1.080 130 I CA 1.516 62.811 61.300 -0.009 0.000 1.339 130 I CB -1.513 36.547 38.000 0.100 0.000 1.039 130 I HN 0.320 nan 8.210 nan 0.000 0.409 131 N N 0.880 119.608 118.700 0.047 0.000 2.188 131 N HA -0.138 4.602 4.740 0.000 0.000 0.184 131 N C 2.080 177.431 175.510 -0.266 0.000 1.018 131 N CA 0.847 53.859 53.050 -0.063 0.000 0.858 131 N CB -0.331 38.111 38.487 -0.075 0.000 0.989 131 N HN 0.351 nan 8.380 nan 0.000 0.426 132 L N 1.196 122.305 121.223 -0.190 0.000 2.046 132 L HA -0.134 4.206 4.340 0.000 0.000 0.208 132 L C 2.703 179.456 176.870 -0.195 0.000 1.077 132 L CA 1.120 55.847 54.840 -0.188 0.000 0.747 132 L CB -0.122 41.806 42.059 -0.218 0.000 0.896 132 L HN 0.126 nan 8.230 nan 0.000 0.432 133 R N -0.939 119.428 120.500 -0.221 0.000 2.083 133 R HA -0.244 4.096 4.340 0.000 0.000 0.237 133 R C 2.148 178.307 176.300 -0.234 0.000 1.137 133 R CA 2.038 57.987 56.100 -0.251 0.000 0.951 133 R CB -0.506 29.588 30.300 -0.342 0.000 0.851 133 R HN 0.377 nan 8.270 nan 0.000 0.434 134 Y N -0.179 120.016 120.300 -0.174 0.000 2.651 134 Y HA -0.142 4.408 4.550 -0.000 0.000 0.296 134 Y C 2.364 178.175 175.900 -0.149 0.000 1.150 134 Y CA 1.151 59.161 58.100 -0.150 0.000 1.348 134 Y CB -0.042 38.316 38.460 -0.170 0.000 0.983 134 Y HN 0.128 nan 8.280 nan 0.000 0.555 135 T N -0.170 114.349 114.554 -0.058 0.000 2.881 135 T HA -0.120 4.230 4.350 0.000 0.000 0.270 135 T C 0.685 175.398 174.700 0.021 0.000 1.068 135 T CA 1.043 63.115 62.100 -0.046 0.000 1.131 135 T CB -0.147 68.689 68.868 -0.054 0.000 0.871 135 T HN 0.142 nan 8.240 nan 0.000 0.479 136 K N 2.056 122.459 120.400 0.004 0.000 2.300 136 K HA 0.362 4.682 4.320 0.000 0.000 0.264 136 K C -1.018 175.610 176.600 0.046 0.000 1.083 136 K CA -0.353 55.949 56.287 0.026 0.000 0.958 136 K CB 1.471 33.964 32.500 -0.012 0.000 1.318 136 K HN -0.007 nan 8.250 nan 0.000 0.448 137 V N 5.713 125.696 119.914 0.115 0.000 2.415 137 V HA 0.115 4.235 4.120 0.000 0.000 0.267 137 V C 0.371 176.539 176.094 0.122 0.000 1.042 137 V CA -0.304 62.087 62.300 0.152 0.000 1.000 137 V CB -0.350 31.634 31.823 0.268 0.000 1.015 137 V HN 0.586 nan 8.190 nan 0.000 0.478 138 L N 3.298 124.559 121.223 0.064 0.000 2.387 138 L HA 0.500 4.840 4.340 0.000 0.000 0.266 138 L C 0.704 177.583 176.870 0.016 0.000 1.059 138 L CA -0.233 54.622 54.840 0.024 0.000 0.801 138 L CB 1.634 43.687 42.059 -0.009 0.000 1.223 138 L HN 0.605 nan 8.230 nan 0.000 0.456 139 S N 1.714 117.402 115.700 -0.020 0.000 2.489 139 S HA 0.270 4.740 4.470 0.000 0.000 0.277 139 S C -1.350 173.234 174.600 -0.027 0.000 1.230 139 S CA -1.449 56.725 58.200 -0.043 0.000 1.053 139 S CB 0.977 64.123 63.200 -0.089 0.000 0.955 139 S HN 0.429 nan 8.310 nan 0.000 0.488 140 P HA 0.080 nan 4.420 nan 0.000 0.220 140 P C 0.077 177.368 177.300 -0.014 0.000 1.152 140 P CA 0.557 63.652 63.100 -0.010 0.000 0.812 140 P CB 0.211 31.911 31.700 -0.001 0.000 0.792 141 I N -1.360 119.197 120.570 -0.021 0.000 3.206 141 I HA 0.281 4.451 4.170 0.000 0.000 0.313 141 I C -0.061 176.040 176.117 -0.026 0.000 1.103 141 I CA -1.221 60.070 61.300 -0.015 0.000 0.985 141 I CB 2.073 40.068 38.000 -0.009 0.000 1.240 141 I HN -0.330 nan 8.210 nan 0.000 0.464 142 S N 0.975 116.666 115.700 -0.015 0.000 2.451 142 S HA 0.883 5.353 4.470 0.000 0.000 0.301 142 S C 0.016 174.604 174.600 -0.020 0.000 1.116 142 S CA -0.006 58.181 58.200 -0.023 0.000 1.093 142 S CB 1.199 64.390 63.200 -0.015 0.000 1.017 142 S HN 0.979 nan 8.310 nan 0.000 0.482 143 G N 2.263 111.042 108.800 -0.036 0.000 2.441 143 G HA2 0.330 4.290 3.960 0.000 0.000 0.225 143 G HA3 0.330 4.290 3.960 0.000 0.000 0.225 143 G C -1.679 173.193 174.900 -0.046 0.000 1.200 143 G CA -0.882 44.199 45.100 -0.031 0.000 0.947 143 G HN 0.595 nan 8.290 nan 0.000 0.484 144 R N 0.525 121.001 120.500 -0.041 0.000 2.288 144 R HA 0.540 4.880 4.340 0.000 0.000 0.326 144 R C -0.457 175.806 176.300 -0.061 0.000 0.959 144 R CA -0.614 55.460 56.100 -0.043 0.000 0.834 144 R CB 0.329 30.616 30.300 -0.021 0.000 1.157 144 R HN 0.459 nan 8.270 nan 0.000 0.470 145 I N 2.646 123.151 120.570 -0.108 0.000 2.519 145 I HA 0.408 4.578 4.170 0.000 0.000 0.287 145 I C 1.049 177.154 176.117 -0.020 0.000 1.047 145 I CA -0.255 60.953 61.300 -0.153 0.000 1.381 145 I CB 1.116 38.835 38.000 -0.469 0.000 1.417 145 I HN 0.609 nan 8.210 nan 0.000 0.540 146 G N 4.501 113.317 108.800 0.028 0.000 3.227 146 G HA2 0.454 4.414 3.960 0.000 0.000 0.171 146 G HA3 0.454 4.414 3.960 0.000 0.000 0.171 146 G C -0.019 174.979 174.900 0.164 0.000 1.463 146 G CA -0.963 44.185 45.100 0.081 0.000 1.016 146 G HN 0.562 nan 8.290 nan 0.000 0.594 147 R N -0.416 120.163 120.500 0.132 0.000 2.738 147 R HA 0.402 4.742 4.340 0.000 0.000 0.268 147 R C -0.106 176.326 176.300 0.218 0.000 1.062 147 R CA 0.062 56.250 56.100 0.146 0.000 1.158 147 R CB 0.846 31.201 30.300 0.091 0.000 1.046 147 R HN 0.335 nan 8.270 nan 0.000 0.493 148 S N 0.708 116.537 115.700 0.216 0.000 2.423 148 S HA 0.294 4.764 4.470 0.000 0.000 0.317 148 S C 0.851 175.559 174.600 0.180 0.000 1.065 148 S CA -0.545 57.833 58.200 0.297 0.000 1.111 148 S CB 1.183 64.529 63.200 0.245 0.000 0.968 148 S HN 0.684 nan 8.310 nan 0.000 0.474 149 A N 4.650 127.566 122.820 0.160 0.000 2.225 149 A HA 0.216 4.536 4.320 0.000 0.000 0.215 149 A C 0.633 178.254 177.584 0.061 0.000 1.164 149 A CA 0.597 52.688 52.037 0.088 0.000 0.710 149 A CB -0.072 18.969 19.000 0.068 0.000 0.780 149 A HN 0.661 nan 8.150 nan 0.000 0.473 150 V N 0.858 120.817 119.914 0.076 0.000 2.540 150 V HA 0.378 4.498 4.120 0.000 0.000 0.302 150 V C 0.553 176.677 176.094 0.051 0.000 1.035 150 V CA -0.186 62.127 62.300 0.022 0.000 0.873 150 V CB 1.794 33.571 31.823 -0.075 0.000 0.992 150 V HN 0.506 nan 8.190 nan 0.000 0.428 151 T N 2.014 116.583 114.554 0.025 0.000 2.849 151 T HA 0.465 4.815 4.350 0.000 0.000 0.284 151 T C 0.022 174.739 174.700 0.028 0.000 1.004 151 T CA -0.733 61.383 62.100 0.026 0.000 1.021 151 T CB 0.860 69.735 68.868 0.012 0.000 1.013 151 T HN 0.675 nan 8.240 nan 0.000 0.527 152 E N 0.021 120.238 120.200 0.028 0.000 2.392 152 E HA 0.407 4.757 4.350 0.000 0.000 0.259 152 E C 1.286 177.897 176.600 0.018 0.000 1.108 152 E CA -0.076 56.343 56.400 0.033 0.000 0.916 152 E CB 0.133 29.847 29.700 0.022 0.000 0.989 152 E HN 1.086 nan 8.360 nan 0.000 0.432 153 G N 0.740 109.552 108.800 0.020 0.000 2.212 153 G HA2 -0.363 3.597 3.960 0.000 0.000 0.266 153 G HA3 -0.363 3.597 3.960 0.000 0.000 0.266 153 G C 0.485 175.388 174.900 0.005 0.000 0.978 153 G CA 0.273 45.380 45.100 0.012 0.000 0.632 153 G HN 0.846 nan 8.290 nan 0.000 0.537 154 A N -0.412 122.408 122.820 -0.000 0.000 2.346 154 A HA 0.698 5.018 4.320 0.000 0.000 0.252 154 A C 0.327 177.903 177.584 -0.014 0.000 1.089 154 A CA 0.391 52.422 52.037 -0.010 0.000 0.797 154 A CB 0.653 19.643 19.000 -0.017 0.000 1.047 154 A HN 1.483 nan 8.150 nan 0.000 0.494 155 L N 1.629 122.843 121.223 -0.015 0.000 2.292 155 L HA 0.630 4.970 4.340 0.000 0.000 0.284 155 L C -0.429 176.426 176.870 -0.025 0.000 1.065 155 L CA 0.052 54.884 54.840 -0.013 0.000 0.806 155 L CB 1.348 43.402 42.059 -0.009 0.000 1.175 155 L HN 0.437 nan 8.230 nan 0.000 0.431 156 V N 4.306 124.206 119.914 -0.023 0.000 2.656 156 V HA 0.663 4.783 4.120 0.000 0.000 0.307 156 V C -0.564 175.518 176.094 -0.020 0.000 1.051 156 V CA -0.210 62.067 62.300 -0.038 0.000 0.893 156 V CB 2.536 34.316 31.823 -0.072 0.000 0.999 156 V HN 0.942 nan 8.190 nan 0.000 0.426 157 T N 5.388 119.926 114.554 -0.028 0.000 2.824 157 T HA 0.336 4.686 4.350 0.000 0.000 0.282 157 T C -0.172 174.506 174.700 -0.037 0.000 0.993 157 T CA -0.417 61.670 62.100 -0.022 0.000 0.967 157 T CB 0.957 69.814 68.868 -0.019 0.000 0.960 157 T HN 0.781 nan 8.240 nan 0.000 0.441 158 N N 1.389 120.063 118.700 -0.042 0.000 2.412 158 N HA 0.247 4.987 4.740 0.000 0.000 0.258 158 N C 1.355 176.830 175.510 -0.058 0.000 1.236 158 N CA 1.096 54.103 53.050 -0.072 0.000 0.882 158 N CB 0.096 38.525 38.487 -0.097 0.000 1.066 158 N HN 0.988 nan 8.380 nan 0.000 0.465 159 G N 1.840 110.604 108.800 -0.060 0.000 2.225 159 G HA2 -0.331 3.629 3.960 0.000 0.000 0.254 159 G HA3 -0.331 3.629 3.960 0.000 0.000 0.254 159 G C 0.019 174.899 174.900 -0.034 0.000 0.988 159 G CA 0.451 45.523 45.100 -0.045 0.000 0.625 159 G HN 0.858 nan 8.290 nan 0.000 0.527 160 Q N 0.250 120.029 119.800 -0.034 0.000 2.333 160 Q HA 0.561 4.901 4.340 0.000 0.000 0.299 160 Q C 1.640 177.626 176.000 -0.023 0.000 1.067 160 Q CA 0.793 56.580 55.803 -0.027 0.000 0.943 160 Q CB 0.810 29.530 28.738 -0.030 0.000 1.233 160 Q HN 1.040 nan 8.270 nan 0.000 0.401 161 A N 4.104 126.913 122.820 -0.018 0.000 1.851 161 A HA -0.161 4.159 4.320 0.000 0.000 0.216 161 A C 0.651 178.228 177.584 -0.011 0.000 1.195 161 A CA 1.390 53.418 52.037 -0.014 0.000 0.622 161 A CB -0.571 18.423 19.000 -0.010 0.000 0.831 161 A HN 0.902 nan 8.150 nan 0.000 0.444 162 N N 0.064 118.758 118.700 -0.010 0.000 2.482 162 N HA 0.438 5.178 4.740 0.000 0.000 0.260 162 N C -0.220 175.286 175.510 -0.007 0.000 1.236 162 N CA 0.668 53.715 53.050 -0.006 0.000 0.938 162 N CB 0.708 39.193 38.487 -0.003 0.000 1.128 162 N HN 0.433 nan 8.380 nan 0.000 0.448 163 A N 1.113 123.935 122.820 0.004 0.000 2.304 163 A HA 0.344 4.664 4.320 0.000 0.000 0.301 163 A C 1.202 178.799 177.584 0.022 0.000 1.132 163 A CA -0.518 51.525 52.037 0.010 0.000 0.819 163 A CB 0.492 19.504 19.000 0.020 0.000 1.094 163 A HN 0.742 nan 8.150 nan 0.000 0.492 164 M N 1.075 120.686 119.600 0.018 0.000 2.175 164 M HA 0.092 4.572 4.480 0.000 0.000 0.264 164 M C 0.832 177.240 176.300 0.180 0.000 1.063 164 M CA 2.084 57.402 55.300 0.030 0.000 1.119 164 M CB -0.084 32.436 32.600 -0.134 0.000 1.377 164 M HN 0.862 nan 8.290 nan 0.000 0.415 165 A N -1.228 121.698 122.820 0.177 0.000 2.601 165 A HA 0.659 4.979 4.320 0.000 0.000 0.291 165 A C -0.994 176.629 177.584 0.064 0.000 1.075 165 A CA -0.820 51.316 52.037 0.165 0.000 0.671 165 A CB 1.069 20.213 19.000 0.241 0.000 1.277 165 A HN 0.051 nan 8.150 nan 0.000 0.417 166 T N 1.026 115.598 114.554 0.029 0.000 2.841 166 T HA 0.563 4.913 4.350 0.000 0.000 0.285 166 T C -0.884 173.793 174.700 -0.037 0.000 0.991 166 T CA -0.361 61.738 62.100 -0.001 0.000 0.966 166 T CB 1.273 70.148 68.868 0.012 0.000 0.962 166 T HN 0.744 nan 8.240 nan 0.000 0.438 167 V N 4.623 124.507 119.914 -0.051 0.000 2.347 167 V HA 0.386 4.506 4.120 0.000 0.000 0.280 167 V C -0.088 175.987 176.094 -0.032 0.000 1.021 167 V CA -0.764 61.496 62.300 -0.067 0.000 0.847 167 V CB 1.183 32.951 31.823 -0.091 0.000 0.990 167 V HN 0.806 nan 8.190 nan 0.000 0.444 168 Q N 3.464 123.251 119.800 -0.023 0.000 2.312 168 Q HA 0.452 4.792 4.340 0.000 0.000 0.263 168 Q C -0.636 175.367 176.000 0.005 0.000 0.995 168 Q CA -0.538 55.264 55.803 -0.002 0.000 0.853 168 Q CB 2.731 31.471 28.738 0.004 0.000 1.300 168 Q HN 0.702 nan 8.270 nan 0.000 0.448 169 Q N 3.198 123.017 119.800 0.031 0.000 2.361 169 Q HA 0.183 4.523 4.340 0.000 0.000 0.250 169 Q C -0.072 175.951 176.000 0.039 0.000 1.023 169 Q CA 0.004 55.833 55.803 0.043 0.000 0.915 169 Q CB 0.480 29.285 28.738 0.112 0.000 1.238 169 Q HN 0.733 nan 8.270 nan 0.000 0.451 170 L N 2.996 124.216 121.223 -0.006 0.000 2.616 170 L HA 0.068 4.408 4.340 0.000 0.000 0.229 170 L C 1.281 178.110 176.870 -0.067 0.000 1.110 170 L CA -0.157 54.669 54.840 -0.024 0.000 0.884 170 L CB 0.113 42.160 42.059 -0.021 0.000 1.115 170 L HN 0.724 nan 8.230 nan 0.000 0.481 171 D N 1.705 122.047 120.400 -0.098 0.000 1.852 171 D HA -0.032 4.608 4.640 0.000 0.000 0.277 171 D C -1.732 174.431 176.300 -0.228 0.000 1.056 171 D CA 0.255 54.176 54.000 -0.132 0.000 0.962 171 D CB -0.855 39.863 40.800 -0.136 0.000 1.390 171 D HN -0.012 nan 8.370 nan 0.000 0.518 172 P HA 0.039 nan 4.420 nan 0.000 0.260 172 P C -0.387 176.618 177.300 -0.492 0.000 1.185 172 P CA 0.594 63.343 63.100 -0.586 0.000 0.763 172 P CB 0.237 31.253 31.700 -1.139 0.000 0.776 173 I N 4.164 124.612 120.570 -0.204 0.000 2.530 173 I HA 0.342 4.512 4.170 0.000 0.000 0.297 173 I C -0.300 175.851 176.117 0.057 0.000 1.011 173 I CA -1.525 59.731 61.300 -0.074 0.000 1.107 173 I CB 1.508 39.478 38.000 -0.051 0.000 1.285 173 I HN 0.239 nan 8.210 nan 0.000 0.436 174 Y N 5.090 125.504 120.300 0.190 0.000 2.298 174 Y HA 0.459 5.009 4.550 0.000 0.000 0.329 174 Y C -0.086 175.860 175.900 0.077 0.000 1.293 174 Y CA -0.744 57.448 58.100 0.153 0.000 1.388 174 Y CB 1.539 40.060 38.460 0.102 0.000 1.309 174 Y HN 0.177 nan 8.280 nan 0.000 0.544 175 V N 2.274 122.363 119.914 0.292 0.000 2.498 175 V HA 0.104 4.224 4.120 0.000 0.000 0.283 175 V C -1.366 174.767 176.094 0.065 0.000 1.015 175 V CA -0.982 61.393 62.300 0.125 0.000 0.867 175 V CB 1.179 33.084 31.823 0.137 0.000 1.025 175 V HN 0.677 nan 8.190 nan 0.000 0.441 176 D N 3.463 123.859 120.400 -0.006 0.000 2.339 176 D HA 0.395 5.035 4.640 0.000 0.000 0.256 176 D C -0.149 176.124 176.300 -0.044 0.000 1.214 176 D CA 0.389 54.358 54.000 -0.052 0.000 0.877 176 D CB 1.630 42.382 40.800 -0.079 0.000 1.111 176 D HN 0.274 nan 8.370 nan 0.000 0.478 177 V N 2.672 122.569 119.914 -0.029 0.000 2.513 177 V HA 0.460 4.580 4.120 0.000 0.000 0.299 177 V C 0.344 176.434 176.094 -0.006 0.000 1.035 177 V CA -0.650 61.645 62.300 -0.008 0.000 0.889 177 V CB 2.150 33.984 31.823 0.018 0.000 0.988 177 V HN 0.460 nan 8.190 nan 0.000 0.440 178 T N 4.926 119.483 114.554 0.005 0.000 2.809 178 T HA 0.485 4.835 4.350 0.000 0.000 0.296 178 T C -0.617 174.101 174.700 0.030 0.000 1.015 178 T CA -0.497 61.609 62.100 0.010 0.000 0.954 178 T CB 0.972 69.840 68.868 0.001 0.000 0.950 178 T HN 0.549 nan 8.240 nan 0.000 0.450 179 Q N 2.741 122.563 119.800 0.037 0.000 2.377 179 Q HA 0.437 4.777 4.340 0.000 0.000 0.271 179 Q C -2.684 173.339 176.000 0.038 0.000 1.077 179 Q CA -2.612 53.219 55.803 0.047 0.000 0.820 179 Q CB 2.044 30.822 28.738 0.068 0.000 1.347 179 Q HN 0.305 nan 8.270 nan 0.000 0.444 180 P HA -0.007 nan 4.420 nan 0.000 0.268 180 P C 0.788 178.103 177.300 0.026 0.000 1.204 180 P CA 0.387 63.502 63.100 0.026 0.000 0.768 180 P CB 0.721 32.436 31.700 0.024 0.000 0.842 181 S N 2.195 117.907 115.700 0.020 0.000 2.399 181 S HA -0.243 4.227 4.470 0.000 0.000 0.235 181 S C 1.699 176.309 174.600 0.016 0.000 1.063 181 S CA 2.519 60.730 58.200 0.018 0.000 1.070 181 S CB -0.886 62.321 63.200 0.011 0.000 0.904 181 S HN 0.548 nan 8.310 nan 0.000 0.456 182 T N 1.936 116.498 114.554 0.014 0.000 2.622 182 T HA -0.076 4.274 4.350 0.000 0.000 0.266 182 T C 2.097 176.803 174.700 0.010 0.000 1.047 182 T CA 1.622 63.727 62.100 0.009 0.000 1.159 182 T CB -0.988 67.885 68.868 0.008 0.000 0.863 182 T HN 0.595 nan 8.240 nan 0.000 0.422 183 A N 1.973 124.806 122.820 0.021 0.000 1.927 183 A HA -0.095 4.225 4.320 0.000 0.000 0.220 183 A C 2.290 179.894 177.584 0.034 0.000 1.185 183 A CA 1.360 53.414 52.037 0.029 0.000 0.639 183 A CB -0.976 18.050 19.000 0.044 0.000 0.820 183 A HN 0.444 nan 8.150 nan 0.000 0.451 184 L N -0.513 120.738 121.223 0.046 0.000 2.079 184 L HA -0.152 4.188 4.340 0.000 0.000 0.210 184 L C 2.292 179.158 176.870 -0.007 0.000 1.081 184 L CA 1.923 56.802 54.840 0.065 0.000 0.752 184 L CB -0.786 41.319 42.059 0.076 0.000 0.896 184 L HN 0.484 nan 8.230 nan 0.000 0.433 185 L N -0.643 120.568 121.223 -0.020 0.000 2.044 185 L HA -0.175 4.165 4.340 0.000 0.000 0.205 185 L C 2.856 179.679 176.870 -0.078 0.000 1.075 185 L CA 0.819 55.628 54.840 -0.052 0.000 0.747 185 L CB -0.656 41.385 42.059 -0.030 0.000 0.903 185 L HN 0.280 nan 8.230 nan 0.000 0.435 186 R N 1.099 121.570 120.500 -0.049 0.000 2.112 186 R HA -0.214 4.126 4.340 0.000 0.000 0.242 186 R C 2.119 178.366 176.300 -0.087 0.000 1.137 186 R CA 1.947 58.017 56.100 -0.049 0.000 0.944 186 R CB -0.818 29.471 30.300 -0.019 0.000 0.857 186 R HN 0.367 nan 8.270 nan 0.000 0.435 187 L N 0.283 121.446 121.223 -0.101 0.000 2.141 187 L HA -0.103 4.237 4.340 0.000 0.000 0.209 187 L C 2.852 179.454 176.870 -0.447 0.000 1.094 187 L CA 1.049 55.780 54.840 -0.181 0.000 0.763 187 L CB -0.468 41.560 42.059 -0.052 0.000 0.908 187 L HN 0.150 nan 8.230 nan 0.000 0.437 188 R N 0.345 120.571 120.500 -0.458 0.000 2.120 188 R HA -0.128 4.212 4.340 0.000 0.000 0.234 188 R C 2.411 178.532 176.300 -0.298 0.000 1.123 188 R CA 1.215 57.012 56.100 -0.506 0.000 0.975 188 R CB -0.255 29.868 30.300 -0.296 0.000 0.866 188 R HN 0.430 nan 8.270 nan 0.000 0.446 189 R N 0.829 121.214 120.500 -0.191 0.000 2.064 189 R HA -0.098 4.242 4.340 0.000 0.000 0.228 189 R C 2.211 178.442 176.300 -0.114 0.000 1.144 189 R CA 1.504 57.532 56.100 -0.121 0.000 0.932 189 R CB -0.340 29.911 30.300 -0.082 0.000 0.833 189 R HN 0.328 nan 8.270 nan 0.000 0.429 190 E N 1.211 121.346 120.200 -0.110 0.000 2.169 190 E HA -0.255 4.095 4.350 0.000 0.000 0.202 190 E C 1.980 178.531 176.600 -0.080 0.000 1.016 190 E CA 1.085 57.439 56.400 -0.076 0.000 0.817 190 E CB -0.301 29.364 29.700 -0.058 0.000 0.736 190 E HN 0.241 nan 8.360 nan 0.000 0.462 191 L N 0.943 122.077 121.223 -0.148 0.000 2.017 191 L HA -0.117 4.223 4.340 0.000 0.000 0.208 191 L C 2.289 179.121 176.870 -0.064 0.000 1.073 191 L CA 2.151 56.925 54.840 -0.111 0.000 0.745 191 L CB -0.879 41.034 42.059 -0.244 0.000 0.894 191 L HN 0.104 nan 8.230 nan 0.000 0.432 192 A N -0.211 122.559 122.820 -0.084 0.000 1.929 192 A HA -0.125 4.195 4.320 0.000 0.000 0.216 192 A C 2.057 179.620 177.584 -0.034 0.000 1.176 192 A CA 1.282 53.289 52.037 -0.050 0.000 0.628 192 A CB -0.694 18.273 19.000 -0.056 0.000 0.816 192 A HN 0.662 nan 8.150 nan 0.000 0.444 193 S N -0.654 115.023 115.700 -0.039 0.000 2.859 193 S HA 0.369 4.839 4.470 0.000 0.000 0.245 193 S C 1.342 175.932 174.600 -0.017 0.000 1.008 193 S CA 0.797 58.982 58.200 -0.026 0.000 1.089 193 S CB -1.053 62.130 63.200 -0.028 0.000 0.798 193 S HN 1.769 nan 8.310 nan 0.000 0.477 194 G N 1.404 110.196 108.800 -0.013 0.000 2.230 194 G HA2 -0.444 3.516 3.960 0.000 0.000 0.270 194 G HA3 -0.444 3.516 3.960 0.000 0.000 0.270 194 G C 0.703 175.603 174.900 -0.000 0.000 0.987 194 G CA 0.886 45.984 45.100 -0.003 0.000 0.664 194 G HN 0.642 nan 8.290 nan 0.000 0.539 195 Q N -1.346 118.450 119.800 -0.006 0.000 2.488 195 Q HA 0.261 4.601 4.340 0.000 0.000 0.211 195 Q C 0.258 176.264 176.000 0.009 0.000 0.967 195 Q CA 0.398 56.200 55.803 -0.001 0.000 0.926 195 Q CB -0.041 28.692 28.738 -0.008 0.000 0.992 195 Q HN 0.463 nan 8.270 nan 0.000 0.506 196 L N 0.508 121.739 121.223 0.014 0.000 2.381 196 L HA 0.274 4.614 4.340 0.000 0.000 0.268 196 L C -0.708 176.189 176.870 0.045 0.000 0.997 196 L CA -0.454 54.410 54.840 0.039 0.000 0.818 196 L CB 2.040 44.130 42.059 0.052 0.000 1.310 196 L HN -0.036 nan 8.230 nan 0.000 0.416 197 E N 4.273 124.504 120.200 0.051 0.000 2.161 197 E HA 0.038 4.388 4.350 0.000 0.000 0.263 197 E C -0.189 176.442 176.600 0.051 0.000 1.185 197 E CA -0.454 55.971 56.400 0.043 0.000 0.938 197 E CB 0.292 30.014 29.700 0.036 0.000 1.023 197 E HN 0.280 nan 8.360 nan 0.000 0.433 198 R N 2.247 122.774 120.500 0.044 0.000 2.740 198 R HA -0.035 4.305 4.340 0.000 0.000 0.263 198 R C 0.212 176.533 176.300 0.035 0.000 0.997 198 R CA 0.908 57.037 56.100 0.048 0.000 1.108 198 R CB 0.826 31.147 30.300 0.034 0.000 0.969 198 R HN 0.686 nan 8.270 nan 0.000 0.431 199 A N 0.081 122.922 122.820 0.035 0.000 2.664 199 A HA 0.377 4.697 4.320 0.000 0.000 0.222 199 A C 0.438 178.028 177.584 0.009 0.000 1.320 199 A CA 0.679 52.721 52.037 0.008 0.000 1.029 199 A CB 0.830 19.822 19.000 -0.014 0.000 1.318 199 A HN 0.843 nan 8.150 nan 0.000 0.589 200 G N -0.461 108.356 108.800 0.028 0.000 2.356 200 G HA2 0.327 4.287 3.960 0.000 0.000 0.300 200 G HA3 0.327 4.287 3.960 0.000 0.000 0.300 200 G C -2.185 172.743 174.900 0.048 0.000 1.331 200 G CA -0.608 44.510 45.100 0.028 0.000 0.905 200 G HN -0.006 nan 8.290 nan 0.000 0.587 201 D N 1.452 121.878 120.400 0.043 0.000 2.434 201 D HA 0.142 4.782 4.640 0.000 0.000 0.252 201 D C 0.920 177.270 176.300 0.083 0.000 1.185 201 D CA 0.578 54.610 54.000 0.053 0.000 0.886 201 D CB 0.526 41.350 40.800 0.039 0.000 1.148 201 D HN 0.523 nan 8.370 nan 0.000 0.483 202 N N 0.041 118.814 118.700 0.122 0.000 2.800 202 N HA -0.202 4.538 4.740 0.000 0.000 0.250 202 N C -0.816 174.892 175.510 0.330 0.000 1.078 202 N CA 1.089 54.275 53.050 0.226 0.000 0.804 202 N CB -0.682 37.905 38.487 0.166 0.000 1.135 202 N HN 0.596 nan 8.380 nan 0.000 0.565 203 A N -0.359 122.589 122.820 0.214 0.000 2.374 203 A HA 0.843 5.163 4.320 0.000 0.000 0.305 203 A C -0.352 177.310 177.584 0.130 0.000 1.053 203 A CA 0.162 52.251 52.037 0.088 0.000 0.726 203 A CB 1.838 20.835 19.000 -0.005 0.000 1.229 203 A HN 0.366 nan 8.150 nan 0.000 0.431 204 A N 2.279 125.161 122.820 0.104 0.000 2.337 204 A HA 0.690 5.010 4.320 0.000 0.000 0.329 204 A C -0.043 177.545 177.584 0.005 0.000 1.146 204 A CA -0.683 51.432 52.037 0.130 0.000 0.800 204 A CB 0.635 19.809 19.000 0.290 0.000 1.220 204 A HN 0.783 nan 8.150 nan 0.000 0.472 205 K N 0.509 120.913 120.400 0.007 0.000 2.355 205 K HA 0.450 4.770 4.320 0.000 0.000 0.270 205 K C -0.689 175.899 176.600 -0.020 0.000 1.003 205 K CA 0.116 56.383 56.287 -0.033 0.000 0.957 205 K CB 0.732 33.224 32.500 -0.013 0.000 0.939 205 K HN 0.413 nan 8.250 nan 0.000 0.482 206 V N 0.803 120.682 119.914 -0.057 0.000 3.147 206 V HA 0.263 4.383 4.120 0.000 0.000 0.306 206 V C -0.759 175.415 176.094 0.132 0.000 1.209 206 V CA -0.981 61.337 62.300 0.030 0.000 1.023 206 V CB 2.497 34.339 31.823 0.032 0.000 1.059 206 V HN 0.782 nan 8.190 nan 0.000 0.435 207 S N 1.814 117.662 115.700 0.246 0.000 2.578 207 S HA 0.817 5.287 4.470 0.000 0.000 0.301 207 S C -1.069 173.768 174.600 0.394 0.000 1.091 207 S CA -0.460 57.941 58.200 0.336 0.000 1.032 207 S CB 1.799 65.113 63.200 0.190 0.000 1.064 207 S HN 0.539 nan 8.310 nan 0.000 0.508 208 L N 2.438 123.854 121.223 0.322 0.000 2.329 208 L HA 0.586 4.926 4.340 0.000 0.000 0.279 208 L C -0.545 176.363 176.870 0.062 0.000 1.014 208 L CA -0.205 54.648 54.840 0.022 0.000 0.814 208 L CB 1.269 42.988 42.059 -0.566 0.000 1.257 208 L HN 0.624 nan 8.230 nan 0.000 0.424 209 K N 6.026 126.460 120.400 0.057 0.000 2.521 209 K HA 0.456 4.776 4.320 0.000 0.000 0.248 209 K C -1.091 175.551 176.600 0.069 0.000 0.978 209 K CA -0.573 55.767 56.287 0.088 0.000 0.947 209 K CB 0.607 33.182 32.500 0.125 0.000 1.165 209 K HN 0.673 nan 8.250 nan 0.000 0.445 210 L N 3.551 124.795 121.223 0.034 0.000 2.499 210 L HA -0.023 4.317 4.340 0.000 0.000 0.281 210 L C 1.688 178.592 176.870 0.056 0.000 1.234 210 L CA 0.182 55.031 54.840 0.014 0.000 0.839 210 L CB 0.364 42.431 42.059 0.013 0.000 1.104 210 L HN 0.755 nan 8.230 nan 0.000 0.500 211 E N -0.374 119.855 120.200 0.048 0.000 2.463 211 E HA -0.236 4.114 4.350 0.000 0.000 0.201 211 E C 0.862 177.490 176.600 0.047 0.000 1.045 211 E CA 0.902 57.340 56.400 0.064 0.000 0.872 211 E CB -0.076 29.654 29.700 0.051 0.000 0.797 211 E HN 0.728 nan 8.360 nan 0.000 0.538 212 D N 0.449 120.872 120.400 0.039 0.000 2.144 212 D HA -0.085 4.555 4.640 0.000 0.000 0.200 212 D C 1.576 177.897 176.300 0.035 0.000 0.978 212 D CA 2.098 56.116 54.000 0.030 0.000 0.833 212 D CB 0.077 40.895 40.800 0.030 0.000 0.961 212 D HN 0.380 nan 8.370 nan 0.000 0.470 213 G N -0.605 108.224 108.800 0.049 0.000 2.391 213 G HA2 -0.227 3.733 3.960 0.000 0.000 0.204 213 G HA3 -0.227 3.733 3.960 0.000 0.000 0.204 213 G C 0.454 175.382 174.900 0.047 0.000 1.012 213 G CA 0.472 45.600 45.100 0.048 0.000 0.651 213 G HN 0.647 nan 8.290 nan 0.000 0.494 214 S N 1.085 116.812 115.700 0.045 0.000 2.572 214 S HA 0.496 4.966 4.470 0.000 0.000 0.267 214 S C -0.030 174.607 174.600 0.062 0.000 1.361 214 S CA 0.191 58.419 58.200 0.047 0.000 1.009 214 S CB 1.133 64.361 63.200 0.046 0.000 0.888 214 S HN 0.447 nan 8.310 nan 0.000 0.553 215 Q N 1.113 120.950 119.800 0.061 0.000 2.347 215 Q HA 0.252 4.592 4.340 0.000 0.000 0.262 215 Q C -1.208 174.851 176.000 0.099 0.000 0.980 215 Q CA -0.454 55.396 55.803 0.078 0.000 0.867 215 Q CB 1.326 30.097 28.738 0.055 0.000 1.242 215 Q HN 0.782 nan 8.270 nan 0.000 0.453 216 Y N 6.632 126.928 120.300 -0.008 0.000 2.677 216 Y HA -0.008 4.542 4.550 -0.000 0.000 0.335 216 Y C -1.210 174.705 175.900 0.025 0.000 1.162 216 Y CA -1.343 56.748 58.100 -0.015 0.000 1.483 216 Y CB 0.549 38.962 38.460 -0.079 0.000 1.209 216 Y HN 0.510 nan 8.280 nan 0.000 0.528 217 P HA -0.261 nan 4.420 nan 0.000 0.217 217 P C 0.185 177.304 177.300 -0.302 0.000 1.162 217 P CA 1.618 64.525 63.100 -0.321 0.000 0.901 217 P CB 0.282 31.788 31.700 -0.323 0.000 0.793 218 L N -0.408 120.491 121.223 -0.540 0.000 2.479 218 L HA 0.290 4.630 4.340 0.000 0.000 0.249 218 L C 1.054 178.023 176.870 0.165 0.000 1.178 218 L CA -0.644 54.104 54.840 -0.154 0.000 0.811 218 L CB 0.105 42.110 42.059 -0.090 0.000 1.187 218 L HN 0.081 nan 8.230 nan 0.000 0.480 219 E N -0.967 119.350 120.200 0.195 0.000 2.429 219 E HA 0.787 5.137 4.350 0.000 0.000 0.276 219 E C -0.914 175.658 176.600 -0.046 0.000 0.953 219 E CA -1.008 55.522 56.400 0.217 0.000 0.787 219 E CB 2.254 32.019 29.700 0.108 0.000 1.307 219 E HN 0.629 nan 8.360 nan 0.000 0.458 220 G N 0.332 108.847 108.800 -0.474 0.000 2.721 220 G HA2 0.433 4.393 3.960 0.000 0.000 0.296 220 G HA3 0.433 4.393 3.960 0.000 0.000 0.296 220 G C -1.068 173.516 174.900 -0.526 0.000 1.383 220 G CA -1.193 43.569 45.100 -0.564 0.000 0.788 220 G HN 0.379 nan 8.290 nan 0.000 0.500 221 R N -1.034 119.252 120.500 -0.356 0.000 2.694 221 R HA 0.354 4.694 4.340 0.000 0.000 0.268 221 R C -0.851 175.287 176.300 -0.271 0.000 1.061 221 R CA -0.304 55.653 56.100 -0.239 0.000 1.133 221 R CB 0.839 31.059 30.300 -0.134 0.000 1.020 221 R HN 0.260 nan 8.270 nan 0.000 0.475 222 L N 2.661 123.730 121.223 -0.257 0.000 2.470 222 L HA 0.226 4.566 4.340 0.000 0.000 0.253 222 L C -0.738 175.809 176.870 -0.538 0.000 1.163 222 L CA -0.308 54.328 54.840 -0.341 0.000 0.932 222 L CB 0.881 42.730 42.059 -0.350 0.000 1.213 222 L HN 0.420 nan 8.230 nan 0.000 0.485 223 E N 2.202 122.210 120.200 -0.321 0.000 2.481 223 E HA -0.046 4.304 4.350 0.000 0.000 0.263 223 E C 0.256 176.618 176.600 -0.397 0.000 0.992 223 E CA 0.638 56.883 56.400 -0.257 0.000 0.938 223 E CB 0.468 30.113 29.700 -0.093 0.000 0.933 223 E HN 0.544 nan 8.360 nan 0.000 0.453 224 F N 0.077 120.027 119.950 -0.000 0.000 2.749 224 F HA -0.026 4.501 4.527 0.000 0.000 0.300 224 F C 1.519 177.313 175.800 -0.010 0.000 1.103 224 F CA -0.199 57.799 58.000 -0.003 0.000 1.342 224 F CB 0.416 39.416 39.000 -0.000 0.000 1.098 224 F HN 0.191 nan 8.300 nan 0.000 0.586 225 S N 1.582 117.347 115.700 0.108 0.000 2.516 225 S HA 0.086 4.556 4.470 0.000 0.000 0.282 225 S C -0.037 174.576 174.600 0.020 0.000 1.286 225 S CA -0.901 57.334 58.200 0.059 0.000 1.066 225 S CB 0.255 63.472 63.200 0.028 0.000 0.884 225 S HN 0.364 nan 8.310 nan 0.000 0.491 226 E N 2.775 122.988 120.200 0.022 0.000 2.398 226 E HA 0.287 4.637 4.350 0.000 0.000 0.263 226 E C 0.169 176.749 176.600 -0.033 0.000 1.046 226 E CA -0.698 55.701 56.400 -0.001 0.000 0.908 226 E CB 0.680 30.384 29.700 0.007 0.000 0.963 226 E HN 0.300 nan 8.360 nan 0.000 0.431 227 V N 1.061 120.943 119.914 -0.055 0.000 3.307 227 V HA 0.163 4.283 4.120 0.000 0.000 0.244 227 V C 0.231 176.287 176.094 -0.063 0.000 1.196 227 V CA 0.894 63.146 62.300 -0.080 0.000 1.132 227 V CB -0.101 31.643 31.823 -0.131 0.000 0.875 227 V HN 0.862 nan 8.190 nan 0.000 0.468 228 S N -0.936 114.735 115.700 -0.049 0.000 2.567 228 S HA 0.702 5.172 4.470 0.000 0.000 0.270 228 S C -1.439 173.146 174.600 -0.025 0.000 1.152 228 S CA -0.618 57.559 58.200 -0.038 0.000 0.835 228 S CB 2.290 65.462 63.200 -0.046 0.000 1.115 228 S HN 0.004 nan 8.310 nan 0.000 0.459 229 V N 1.640 121.543 119.914 -0.019 0.000 2.524 229 V HA 0.419 4.539 4.120 0.000 0.000 0.297 229 V C -1.138 174.950 176.094 -0.010 0.000 1.035 229 V CA -0.741 61.552 62.300 -0.011 0.000 0.867 229 V CB 1.777 33.596 31.823 -0.007 0.000 1.004 229 V HN 0.983 nan 8.190 nan 0.000 0.426 230 D N 4.052 124.447 120.400 -0.008 0.000 2.498 230 D HA 0.095 4.735 4.640 0.000 0.000 0.229 230 D C 1.170 177.468 176.300 -0.003 0.000 1.188 230 D CA 0.095 54.092 54.000 -0.007 0.000 1.028 230 D CB 0.963 41.760 40.800 -0.005 0.000 1.087 230 D HN 0.642 nan 8.370 nan 0.000 0.510 231 E N 0.862 121.060 120.200 -0.004 0.000 2.284 231 E HA -0.173 4.177 4.350 0.000 0.000 0.200 231 E C 1.966 178.565 176.600 -0.001 0.000 1.008 231 E CA 0.680 57.078 56.400 -0.002 0.000 0.829 231 E CB 0.121 29.819 29.700 -0.003 0.000 0.744 231 E HN 0.443 nan 8.360 nan 0.000 0.491 232 G N -0.068 108.731 108.800 -0.001 0.000 2.650 232 G HA2 -0.129 3.831 3.960 0.000 0.000 0.214 232 G HA3 -0.129 3.831 3.960 0.000 0.000 0.214 232 G C 1.307 176.208 174.900 0.002 0.000 1.136 232 G CA 0.864 45.964 45.100 0.000 0.000 0.789 232 G HN 0.171 nan 8.290 nan 0.000 0.536 233 T N -1.343 113.212 114.554 0.002 0.000 2.954 233 T HA 0.365 4.715 4.350 0.000 0.000 0.252 233 T C 1.906 176.609 174.700 0.005 0.000 0.983 233 T CA 0.860 62.963 62.100 0.005 0.000 0.941 233 T CB 0.683 69.554 68.868 0.006 0.000 1.141 233 T HN 0.815 nan 8.240 nan 0.000 0.500 234 G N 2.441 111.243 108.800 0.004 0.000 2.267 234 G HA2 -0.312 3.648 3.960 0.000 0.000 0.257 234 G HA3 -0.312 3.648 3.960 0.000 0.000 0.257 234 G C 0.494 175.398 174.900 0.006 0.000 0.998 234 G CA 0.393 45.496 45.100 0.004 0.000 0.620 234 G HN 1.008 nan 8.290 nan 0.000 0.529 235 S N -0.041 115.663 115.700 0.007 0.000 2.562 235 S HA 0.611 5.081 4.470 0.000 0.000 0.281 235 S C 0.405 175.010 174.600 0.007 0.000 1.333 235 S CA 0.022 58.228 58.200 0.010 0.000 1.052 235 S CB 2.251 65.458 63.200 0.011 0.000 0.884 235 S HN 1.117 nan 8.310 nan 0.000 0.506 236 V N 2.134 122.055 119.914 0.012 0.000 2.966 236 V HA 0.624 4.744 4.120 0.000 0.000 0.317 236 V C 0.375 176.471 176.094 0.003 0.000 1.070 236 V CA -0.763 61.542 62.300 0.008 0.000 1.008 236 V CB 1.947 33.782 31.823 0.020 0.000 1.070 236 V HN 1.038 nan 8.190 nan 0.000 0.457 237 T N 3.908 118.455 114.554 -0.011 0.000 2.881 237 T HA 0.657 5.007 4.350 0.000 0.000 0.291 237 T C -0.498 174.177 174.700 -0.043 0.000 0.990 237 T CA -0.164 61.920 62.100 -0.028 0.000 0.976 237 T CB 0.738 69.579 68.868 -0.045 0.000 0.970 237 T HN 0.613 nan 8.240 nan 0.000 0.438 238 I N 0.271 120.815 120.570 -0.043 0.000 2.957 238 I HA 0.767 4.937 4.170 0.000 0.000 0.310 238 I C -0.507 175.549 176.117 -0.102 0.000 1.063 238 I CA -1.509 59.749 61.300 -0.071 0.000 1.033 238 I CB 2.061 40.029 38.000 -0.053 0.000 1.230 238 I HN 0.260 nan 8.210 nan 0.000 0.447 239 R N 2.013 122.430 120.500 -0.139 0.000 2.562 239 R HA 0.776 5.117 4.340 0.000 0.000 0.298 239 R C -0.837 175.443 176.300 -0.033 0.000 0.961 239 R CA -0.753 55.274 56.100 -0.122 0.000 0.881 239 R CB 2.185 32.289 30.300 -0.326 0.000 1.159 239 R HN 0.882 nan 8.270 nan 0.000 0.450 240 A N 2.254 125.123 122.820 0.082 0.000 2.306 240 A HA 0.641 4.961 4.320 0.000 0.000 0.330 240 A C -0.651 177.077 177.584 0.241 0.000 1.146 240 A CA -0.592 51.503 52.037 0.096 0.000 0.827 240 A CB 1.319 20.466 19.000 0.245 0.000 1.178 240 A HN 0.436 nan 8.150 nan 0.000 0.490 241 V N 2.160 122.097 119.914 0.038 0.000 2.419 241 V HA 0.399 4.519 4.120 0.000 0.000 0.287 241 V C -1.323 174.701 176.094 -0.116 0.000 1.017 241 V CA -0.167 62.191 62.300 0.097 0.000 0.844 241 V CB 0.280 32.168 31.823 0.108 0.000 1.011 241 V HN 0.681 nan 8.190 nan 0.000 0.429 242 F N 5.026 124.967 119.950 -0.015 0.000 2.458 242 F HA 0.668 5.195 4.527 0.000 0.000 0.330 242 F C -2.188 173.594 175.800 -0.031 0.000 1.082 242 F CA -2.849 55.152 58.000 0.003 0.000 0.995 242 F CB 1.494 40.498 39.000 0.006 0.000 1.170 242 F HN 0.259 nan 8.300 nan 0.000 0.478 243 P HA 0.156 nan 4.420 nan 0.000 0.275 243 P C -0.686 176.724 177.300 0.183 0.000 1.227 243 P CA -0.124 63.033 63.100 0.094 0.000 0.781 243 P CB 0.560 32.304 31.700 0.074 0.000 0.906 244 N N 2.096 120.841 118.700 0.074 0.000 2.664 244 N HA 0.228 4.968 4.740 0.000 0.000 0.287 244 N C -2.645 172.897 175.510 0.055 0.000 1.869 244 N CA -2.057 51.053 53.050 0.099 0.000 0.832 244 N CB 0.366 38.851 38.487 -0.003 0.000 1.293 244 N HN 0.157 nan 8.380 nan 0.000 0.498 245 P HA 0.270 nan 4.420 nan 0.000 0.286 245 P C -0.229 177.096 177.300 0.041 0.000 1.293 245 P CA 0.121 63.236 63.100 0.023 0.000 0.770 245 P CB 0.704 32.411 31.700 0.011 0.000 1.206 246 N N -1.701 117.013 118.700 0.024 0.000 2.922 246 N HA -0.253 4.487 4.740 0.000 0.000 0.231 246 N C 0.463 175.992 175.510 0.031 0.000 0.889 246 N CA 1.376 54.443 53.050 0.028 0.000 1.027 246 N CB -2.211 36.299 38.487 0.038 0.000 1.059 246 N HN 0.700 nan 8.380 nan 0.000 0.613 247 N N 0.907 119.625 118.700 0.030 0.000 2.721 247 N HA -0.211 4.529 4.740 0.000 0.000 0.249 247 N C 0.422 175.945 175.510 0.022 0.000 1.072 247 N CA 1.411 54.471 53.050 0.016 0.000 0.710 247 N CB -0.572 37.918 38.487 0.006 0.000 0.993 247 N HN 0.645 nan 8.380 nan 0.000 0.547 248 E N -0.304 119.929 120.200 0.055 0.000 2.106 248 E HA -0.024 4.326 4.350 0.000 0.000 0.192 248 E C 0.611 177.209 176.600 -0.003 0.000 0.984 248 E CA 0.669 57.105 56.400 0.060 0.000 0.806 248 E CB 0.160 29.958 29.700 0.162 0.000 0.750 248 E HN 0.445 nan 8.360 nan 0.000 0.458 249 L N 1.988 123.171 121.223 -0.067 0.000 2.326 249 L HA 0.320 4.660 4.340 0.000 0.000 0.278 249 L C -0.230 176.584 176.870 -0.093 0.000 1.092 249 L CA -0.276 54.472 54.840 -0.154 0.000 0.810 249 L CB 0.691 42.557 42.059 -0.322 0.000 1.153 249 L HN 0.022 nan 8.230 nan 0.000 0.439 250 L N 3.877 125.053 121.223 -0.079 0.000 2.354 250 L HA 0.555 4.895 4.340 0.000 0.000 0.264 250 L C -2.364 174.474 176.870 -0.052 0.000 1.008 250 L CA -2.144 52.667 54.840 -0.048 0.000 0.819 250 L CB 2.340 44.384 42.059 -0.024 0.000 1.339 250 L HN 0.308 nan 8.230 nan 0.000 0.420 251 P HA 0.096 nan 4.420 nan 0.000 0.267 251 P C 0.635 177.905 177.300 -0.050 0.000 1.200 251 P CA 0.714 63.790 63.100 -0.041 0.000 0.772 251 P CB 0.637 32.325 31.700 -0.020 0.000 0.855 252 G N 0.857 109.601 108.800 -0.093 0.000 2.176 252 G HA2 -0.265 3.695 3.960 0.000 0.000 0.253 252 G HA3 -0.265 3.695 3.960 0.000 0.000 0.253 252 G C 0.158 174.980 174.900 -0.130 0.000 0.979 252 G CA -0.256 44.771 45.100 -0.122 0.000 0.641 252 G HN 0.443 nan 8.290 nan 0.000 0.530 253 M N 0.520 120.063 119.600 -0.095 0.000 2.228 253 M HA 0.475 4.955 4.480 0.000 0.000 0.351 253 M C -0.261 175.983 176.300 -0.093 0.000 1.233 253 M CA 0.018 55.313 55.300 -0.008 0.000 1.129 253 M CB 0.284 32.854 32.600 -0.049 0.000 1.604 253 M HN 0.044 nan 8.290 nan 0.000 0.457 254 F N 3.580 123.471 119.950 -0.098 0.000 2.368 254 F HA 0.377 4.904 4.527 -0.000 0.000 0.362 254 F C 0.439 176.124 175.800 -0.191 0.000 1.137 254 F CA -0.710 57.210 58.000 -0.134 0.000 1.161 254 F CB -0.045 38.890 39.000 -0.108 0.000 1.265 254 F HN 0.309 nan 8.300 nan 0.000 0.530 255 V N 0.199 120.030 119.914 -0.139 0.000 3.240 255 V HA 0.653 4.773 4.120 0.000 0.000 0.306 255 V C -0.808 175.063 176.094 -0.371 0.000 1.227 255 V CA -0.723 61.461 62.300 -0.193 0.000 1.047 255 V CB 2.302 34.020 31.823 -0.174 0.000 1.203 255 V HN 0.545 nan 8.190 nan 0.000 0.471 256 H N 0.220 119.287 119.070 -0.005 0.000 2.934 256 H HA 0.753 5.309 4.556 0.000 0.000 0.340 256 H C -0.253 175.098 175.328 0.038 0.000 1.008 256 H CA 0.238 56.301 56.048 0.025 0.000 1.317 256 H CB 1.693 31.477 29.762 0.036 0.000 1.670 256 H HN 1.155 nan 8.280 nan 0.000 0.516 257 A N 3.297 126.235 122.820 0.196 0.000 2.316 257 A HA 0.496 4.816 4.320 0.000 0.000 0.284 257 A C -0.182 177.513 177.584 0.185 0.000 1.115 257 A CA -0.516 51.650 52.037 0.215 0.000 0.812 257 A CB 0.765 19.890 19.000 0.208 0.000 1.064 257 A HN 0.720 nan 8.150 nan 0.000 0.489 258 Q N 0.815 120.723 119.800 0.179 0.000 2.356 258 Q HA 0.694 5.034 4.340 0.000 0.000 0.270 258 Q C -1.125 174.943 176.000 0.112 0.000 1.058 258 Q CA -0.332 55.548 55.803 0.128 0.000 0.802 258 Q CB 2.402 31.208 28.738 0.113 0.000 1.303 258 Q HN 0.709 nan 8.270 nan 0.000 0.444 259 L N 0.000 121.278 121.223 0.092 0.000 2.949 259 L HA 0.000 4.340 4.340 0.000 0.000 0.249 259 L CA 0.000 54.892 54.840 0.086 0.000 0.813 259 L CB 0.000 42.121 42.059 0.103 0.000 0.961 259 L HN 0.000 nan 8.230 nan 0.000 0.502