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 2wqz_1_C DATA FIRST_RESID 82 DATA SEQUENCE HAGTTYIFSK GGGQITYKWP PNDRPSTRAD RLAIGFSTVQ KEAVLVRVDS DATA SEQUENCE SSGLGDYLEL HIHQGKIGVK FNVGTDDIAI EESNAIINDG KYHVVRFTRS DATA SEQUENCE GGNATLQVDS WPVIERYPAX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXG DATA SEQUENCE RQLTIFNSQA TIIIGGKEQG QPFQGQLSGL YYNGLKVLNM AAENDANIAI DATA SEQUENCE VGNVRLV 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 82 H HA 0.000 nan 4.556 nan 0.000 0.296 82 H C 0.000 175.135 175.328 -0.322 0.000 0.993 82 H CA 0.000 55.496 56.048 -0.921 0.000 1.023 82 H CB 0.000 29.415 29.762 -0.578 0.000 1.292 83 A N -0.014 122.789 122.820 -0.029 0.000 2.590 83 A HA 0.604 4.924 4.320 0.000 0.000 0.296 83 A C 0.239 177.836 177.584 0.022 0.000 1.050 83 A CA 0.703 52.750 52.037 0.017 0.000 0.697 83 A CB 1.103 20.136 19.000 0.055 0.000 1.277 83 A HN 1.701 nan 8.150 nan 0.000 0.411 84 G N 0.051 108.859 108.800 0.014 0.000 2.484 84 G HA2 0.235 4.195 3.960 0.000 0.000 0.225 84 G HA3 0.235 4.195 3.960 0.000 0.000 0.225 84 G C -0.030 174.880 174.900 0.017 0.000 1.250 84 G CA 0.039 45.151 45.100 0.019 0.000 0.926 84 G HN 1.941 nan 8.290 nan 0.000 0.581 85 T N 2.051 116.634 114.554 0.047 0.000 2.739 85 T HA 0.570 4.920 4.350 0.000 0.000 0.298 85 T C 0.380 175.156 174.700 0.127 0.000 0.929 85 T CA 0.635 62.794 62.100 0.097 0.000 1.014 85 T CB 0.837 69.809 68.868 0.172 0.000 0.914 85 T HN 0.762 nan 8.240 nan 0.000 0.509 86 T N 2.860 117.441 114.554 0.045 0.000 2.934 86 T HA 0.504 4.854 4.350 0.000 0.000 0.283 86 T C -0.976 173.808 174.700 0.141 0.000 1.005 86 T CA -0.484 61.607 62.100 -0.015 0.000 1.041 86 T CB 0.711 69.401 68.868 -0.298 0.000 1.042 86 T HN 0.477 nan 8.240 nan 0.000 0.505 87 Y N 0.874 121.173 120.300 -0.002 0.000 2.333 87 Y HA 0.433 4.983 4.550 0.000 0.000 0.324 87 Y C -0.098 175.981 175.900 0.298 0.000 1.033 87 Y CA -0.977 57.218 58.100 0.159 0.000 1.224 87 Y CB 0.821 39.458 38.460 0.296 0.000 1.120 87 Y HN 0.508 nan 8.280 nan 0.000 0.457 88 I N 4.639 125.360 120.570 0.251 0.000 2.496 88 I HA 0.062 4.232 4.170 0.000 0.000 0.285 88 I C -0.769 175.589 176.117 0.402 0.000 1.080 88 I CA 0.170 61.635 61.300 0.274 0.000 1.404 88 I CB 0.383 38.443 38.000 0.100 0.000 1.403 88 I HN 0.383 nan 8.210 nan 0.000 0.539 89 F N 4.652 124.680 119.950 0.130 0.000 2.347 89 F HA 0.314 4.842 4.527 0.000 0.000 0.366 89 F C 0.668 176.473 175.800 0.008 0.000 1.107 89 F CA -0.375 57.695 58.000 0.117 0.000 1.058 89 F CB 1.238 40.383 39.000 0.241 0.000 1.236 89 F HN 0.353 nan 8.300 nan 0.000 0.456 90 S N 2.389 118.146 115.700 0.094 0.000 2.655 90 S HA 0.244 4.714 4.470 0.000 0.000 0.265 90 S C 0.128 174.745 174.600 0.028 0.000 1.240 90 S CA -0.893 57.331 58.200 0.039 0.000 0.986 90 S CB 0.795 64.000 63.200 0.007 0.000 0.985 90 S HN 0.455 nan 8.310 nan 0.000 0.562 91 K N 0.558 120.963 120.400 0.008 0.000 2.436 91 K HA 0.364 4.684 4.320 0.000 0.000 0.275 91 K C 0.792 177.397 176.600 0.009 0.000 0.999 91 K CA 0.898 57.187 56.287 0.004 0.000 0.980 91 K CB -0.140 32.359 32.500 -0.002 0.000 0.919 91 K HN 0.856 nan 8.250 nan 0.000 0.484 92 G N 1.792 110.600 108.800 0.014 0.000 2.475 92 G HA2 -0.089 3.872 3.960 0.000 0.000 0.223 92 G HA3 -0.089 3.872 3.960 0.000 0.000 0.223 92 G C -0.216 174.707 174.900 0.037 0.000 1.201 92 G CA -0.491 44.620 45.100 0.018 0.000 0.962 92 G HN 0.939 nan 8.290 nan 0.000 0.586 93 G N -1.461 107.360 108.800 0.036 0.000 2.733 93 G HA2 1.021 4.982 3.960 0.000 0.000 0.288 93 G HA3 1.021 4.982 3.960 0.000 0.000 0.288 93 G C -0.182 174.735 174.900 0.029 0.000 1.373 93 G CA 0.424 45.566 45.100 0.070 0.000 0.895 93 G HN 2.135 nan 8.290 nan 0.000 0.479 94 G N -1.544 107.296 108.800 0.066 0.000 2.698 94 G HA2 0.619 4.580 3.960 0.000 0.000 0.293 94 G HA3 0.619 4.580 3.960 0.000 0.000 0.293 94 G C -1.722 173.216 174.900 0.064 0.000 1.437 94 G CA -0.405 44.628 45.100 -0.111 0.000 0.852 94 G HN 0.687 nan 8.290 nan 0.000 0.499 95 Q N 0.013 119.814 119.800 0.002 0.000 2.364 95 Q HA 0.418 4.758 4.340 0.000 0.000 0.257 95 Q C -1.635 174.399 176.000 0.056 0.000 0.956 95 Q CA -0.576 55.288 55.803 0.102 0.000 0.924 95 Q CB 1.913 30.698 28.738 0.078 0.000 1.413 95 Q HN 0.544 nan 8.270 nan 0.000 0.418 96 I N 3.608 124.233 120.570 0.091 0.000 2.388 96 I HA 0.303 4.473 4.170 0.000 0.000 0.281 96 I C -0.442 175.695 176.117 0.034 0.000 1.046 96 I CA -0.523 60.801 61.300 0.041 0.000 1.187 96 I CB 1.542 39.551 38.000 0.015 0.000 1.351 96 I HN 0.493 nan 8.210 nan 0.000 0.472 97 T N 5.007 119.575 114.554 0.025 0.000 2.771 97 T HA 0.250 4.600 4.350 0.000 0.000 0.291 97 T C -0.702 174.011 174.700 0.021 0.000 0.954 97 T CA -0.088 62.027 62.100 0.024 0.000 1.045 97 T CB 0.715 69.588 68.868 0.009 0.000 0.917 97 T HN 0.292 nan 8.240 nan 0.000 0.484 98 Y N 2.723 122.953 120.300 -0.117 0.000 2.331 98 Y HA 0.480 5.030 4.550 0.001 0.000 0.338 98 Y C -0.275 175.526 175.900 -0.165 0.000 0.992 98 Y CA -0.983 57.000 58.100 -0.196 0.000 1.121 98 Y CB 0.895 39.154 38.460 -0.334 0.000 1.184 98 Y HN 0.466 nan 8.280 nan 0.000 0.469 99 K N 6.615 126.605 120.400 -0.684 0.000 2.449 99 K HA 0.154 4.475 4.320 0.000 0.000 0.257 99 K C -1.055 175.265 176.600 -0.466 0.000 0.989 99 K CA -0.581 55.492 56.287 -0.357 0.000 0.916 99 K CB 0.934 33.316 32.500 -0.197 0.000 1.136 99 K HN 0.573 nan 8.250 nan 0.000 0.439 100 W N 4.032 125.224 121.300 -0.181 0.000 2.170 100 W HA 0.054 4.714 4.660 0.000 0.000 0.342 100 W C -1.911 174.566 176.519 -0.070 0.000 1.294 100 W CA -1.685 55.639 57.345 -0.035 0.000 1.246 100 W CB 0.254 29.777 29.460 0.105 0.000 1.156 100 W HN 0.328 nan 8.180 nan 0.000 0.572 101 P HA -0.006 nan 4.420 nan 0.000 0.262 101 P C -2.274 175.090 177.300 0.106 0.000 1.199 101 P CA -0.842 62.319 63.100 0.100 0.000 0.763 101 P CB -0.257 31.504 31.700 0.103 0.000 0.790 102 P HA -0.038 nan 4.420 nan 0.000 0.260 102 P C 0.504 177.830 177.300 0.043 0.000 1.207 102 P CA 0.592 63.723 63.100 0.053 0.000 0.780 102 P CB -0.426 31.294 31.700 0.032 0.000 0.789 103 N N 0.923 119.647 118.700 0.039 0.000 2.984 103 N HA -0.141 4.600 4.740 0.000 0.000 0.199 103 N C -0.558 174.969 175.510 0.029 0.000 0.934 103 N CA 0.131 53.196 53.050 0.025 0.000 1.043 103 N CB -1.951 36.549 38.487 0.022 0.000 1.015 103 N HN 0.296 nan 8.380 nan 0.000 0.557 104 D N 0.982 121.414 120.400 0.053 0.000 2.788 104 D HA 0.210 4.850 4.640 0.000 0.000 0.289 104 D C -0.555 175.756 176.300 0.018 0.000 1.340 104 D CA -0.247 53.794 54.000 0.068 0.000 0.831 104 D CB 0.370 41.252 40.800 0.138 0.000 1.103 104 D HN 0.269 nan 8.370 nan 0.000 0.476 105 R N 1.804 122.261 120.500 -0.071 0.000 2.216 105 R HA 0.307 4.647 4.340 0.000 0.000 0.332 105 R C -2.157 173.931 176.300 -0.354 0.000 1.056 105 R CA -1.298 54.659 56.100 -0.238 0.000 0.901 105 R CB 0.997 31.214 30.300 -0.139 0.000 1.039 105 R HN 0.136 nan 8.270 nan 0.000 0.456 106 P HA 0.115 nan 4.420 nan 0.000 0.275 106 P C -0.751 176.291 177.300 -0.429 0.000 1.227 106 P CA -0.255 62.550 63.100 -0.492 0.000 0.781 106 P CB 1.299 32.626 31.700 -0.620 0.000 0.906 107 S N 0.662 116.206 115.700 -0.260 0.000 2.566 107 S HA 0.756 5.227 4.470 0.000 0.000 0.298 107 S C -0.395 174.130 174.600 -0.125 0.000 1.083 107 S CA -0.447 57.645 58.200 -0.179 0.000 0.978 107 S CB 1.730 64.878 63.200 -0.086 0.000 1.073 107 S HN 0.650 nan 8.310 nan 0.000 0.491 108 T N -0.432 114.090 114.554 -0.054 0.000 2.916 108 T HA 0.539 4.890 4.350 0.000 0.000 0.305 108 T C 0.332 175.043 174.700 0.018 0.000 1.119 108 T CA -0.996 61.083 62.100 -0.035 0.000 1.008 108 T CB 1.972 70.803 68.868 -0.062 0.000 1.129 108 T HN 0.449 nan 8.240 nan 0.000 0.480 109 R N 0.484 120.976 120.500 -0.013 0.000 2.123 109 R HA 0.433 4.773 4.340 0.000 0.000 0.209 109 R C 1.443 177.722 176.300 -0.035 0.000 1.078 109 R CA 0.413 56.508 56.100 -0.008 0.000 1.028 109 R CB -0.068 30.221 30.300 -0.017 0.000 0.939 109 R HN 0.807 nan 8.270 nan 0.000 0.463 110 A N 1.394 124.173 122.820 -0.068 0.000 2.292 110 A HA 0.256 4.576 4.320 0.000 0.000 0.265 110 A C -0.626 176.870 177.584 -0.147 0.000 1.133 110 A CA 0.160 52.127 52.037 -0.116 0.000 0.807 110 A CB 0.374 19.299 19.000 -0.125 0.000 1.102 110 A HN 0.181 nan 8.150 nan 0.000 0.502 111 D N -0.701 119.561 120.400 -0.230 0.000 2.115 111 D HA 0.220 4.861 4.640 0.000 0.000 0.161 111 D C -1.441 174.636 176.300 -0.371 0.000 1.181 111 D CA -0.367 53.461 54.000 -0.287 0.000 0.868 111 D CB 0.634 41.356 40.800 -0.130 0.000 2.440 111 D HN 0.424 nan 8.370 nan 0.000 0.502 112 R N 2.071 122.307 120.500 -0.440 0.000 2.360 112 R HA 0.650 4.990 4.340 0.000 0.000 0.318 112 R C -0.743 175.308 176.300 -0.416 0.000 0.950 112 R CA -0.972 54.882 56.100 -0.411 0.000 0.837 112 R CB 1.710 31.749 30.300 -0.435 0.000 1.165 112 R HN 0.373 nan 8.270 nan 0.000 0.458 113 L N 1.248 122.399 121.223 -0.120 0.000 2.408 113 L HA 0.870 5.211 4.340 0.000 0.000 0.268 113 L C -1.384 175.547 176.870 0.101 0.000 0.986 113 L CA -0.559 54.320 54.840 0.065 0.000 0.820 113 L CB 2.215 44.481 42.059 0.346 0.000 1.303 113 L HN 0.775 nan 8.230 nan 0.000 0.411 114 A N 5.593 128.483 122.820 0.115 0.000 2.488 114 A HA 0.811 5.131 4.320 0.000 0.000 0.298 114 A C -1.720 175.963 177.584 0.166 0.000 1.044 114 A CA -0.384 51.745 52.037 0.152 0.000 0.693 114 A CB 1.195 20.297 19.000 0.170 0.000 1.272 114 A HN 0.907 nan 8.150 nan 0.000 0.402 115 I N 1.510 122.172 120.570 0.153 0.000 2.656 115 I HA 0.634 4.804 4.170 0.000 0.000 0.292 115 I C 0.308 176.541 176.117 0.195 0.000 1.144 115 I CA -0.615 60.779 61.300 0.157 0.000 1.038 115 I CB 1.996 40.064 38.000 0.113 0.000 1.244 115 I HN 0.851 nan 8.210 nan 0.000 0.420 116 G N 6.672 115.616 108.800 0.240 0.000 2.349 116 G HA2 0.426 4.386 3.960 0.000 0.000 0.281 116 G HA3 0.426 4.386 3.960 0.000 0.000 0.281 116 G C -0.928 174.235 174.900 0.438 0.000 1.182 116 G CA -0.187 45.144 45.100 0.385 0.000 0.899 116 G HN 0.499 nan 8.290 nan 0.000 0.455 117 F N 0.996 121.147 119.950 0.334 0.000 2.561 117 F HA 0.844 5.371 4.527 0.000 0.000 0.321 117 F C -0.217 175.788 175.800 0.341 0.000 1.065 117 F CA -2.273 55.900 58.000 0.287 0.000 0.934 117 F CB 2.464 41.542 39.000 0.129 0.000 1.215 117 F HN 0.352 nan 8.300 nan 0.000 0.471 118 S N 1.909 118.038 115.700 0.714 0.000 2.571 118 S HA 0.534 5.004 4.470 0.000 0.000 0.238 118 S C -1.171 173.719 174.600 0.483 0.000 1.153 118 S CA -0.126 58.372 58.200 0.497 0.000 1.141 118 S CB 0.566 63.974 63.200 0.348 0.000 1.133 118 S HN 1.202 nan 8.310 nan 0.000 0.464 119 T N 1.722 116.554 114.554 0.464 0.000 2.864 119 T HA 0.558 4.908 4.350 0.000 0.000 0.299 119 T C 0.650 175.454 174.700 0.172 0.000 1.166 119 T CA 0.015 62.252 62.100 0.229 0.000 1.007 119 T CB 1.477 70.478 68.868 0.221 0.000 1.219 119 T HN 1.054 nan 8.240 nan 0.000 0.506 120 V N 0.458 120.412 119.914 0.066 0.000 3.605 120 V HA 0.471 4.592 4.120 0.000 0.000 0.284 120 V C 0.640 176.755 176.094 0.035 0.000 1.386 120 V CA 0.057 62.395 62.300 0.063 0.000 1.053 120 V CB -0.478 31.369 31.823 0.040 0.000 0.857 120 V HN 0.782 nan 8.190 nan 0.000 0.436 121 Q N 1.194 120.999 119.800 0.008 0.000 2.330 121 Q HA 0.168 4.509 4.340 0.000 0.000 0.279 121 Q C 1.020 177.027 176.000 0.013 0.000 1.024 121 Q CA 0.158 55.961 55.803 0.000 0.000 0.900 121 Q CB 1.173 29.903 28.738 -0.013 0.000 1.221 121 Q HN 0.339 nan 8.270 nan 0.000 0.396 122 K N 1.703 122.107 120.400 0.008 0.000 2.031 122 K HA -0.052 4.269 4.320 0.000 0.000 0.205 122 K C -0.170 176.429 176.600 -0.001 0.000 1.049 122 K CA 1.201 57.486 56.287 -0.003 0.000 0.939 122 K CB 0.426 32.919 32.500 -0.011 0.000 0.717 122 K HN 0.620 nan 8.250 nan 0.000 0.438 123 E N -0.534 119.681 120.200 0.026 0.000 2.248 123 E HA 0.557 4.907 4.350 0.000 0.000 0.267 123 E C -1.435 175.202 176.600 0.062 0.000 0.877 123 E CA -0.702 55.734 56.400 0.061 0.000 0.759 123 E CB 2.272 32.035 29.700 0.104 0.000 1.182 123 E HN 0.125 nan 8.360 nan 0.000 0.418 124 A N 1.876 124.741 122.820 0.075 0.000 2.540 124 A HA 0.249 4.569 4.320 0.000 0.000 0.315 124 A C -0.882 176.768 177.584 0.111 0.000 1.037 124 A CA -0.680 51.421 52.037 0.106 0.000 0.940 124 A CB 0.620 19.706 19.000 0.144 0.000 1.262 124 A HN 0.311 nan 8.150 nan 0.000 0.377 125 V N 3.863 123.841 119.914 0.107 0.000 2.740 125 V HA 0.120 4.240 4.120 0.000 0.000 0.303 125 V C 0.867 176.978 176.094 0.028 0.000 1.054 125 V CA 0.215 62.561 62.300 0.075 0.000 1.106 125 V CB 1.198 33.047 31.823 0.045 0.000 0.957 125 V HN 0.880 nan 8.190 nan 0.000 0.486 126 L N 4.924 126.104 121.223 -0.071 0.000 3.076 126 L HA 0.456 4.797 4.340 0.000 0.000 0.173 126 L C 0.234 176.982 176.870 -0.204 0.000 1.343 126 L CA 1.184 55.871 54.840 -0.254 0.000 0.894 126 L CB 0.680 42.549 42.059 -0.316 0.000 1.372 126 L HN 0.413 nan 8.230 nan 0.000 0.565 127 V N 0.656 120.480 119.914 -0.151 0.000 2.680 127 V HA 0.573 4.693 4.120 0.000 0.000 0.309 127 V C -0.351 175.705 176.094 -0.063 0.000 1.052 127 V CA -0.743 61.492 62.300 -0.109 0.000 0.908 127 V CB 2.435 34.191 31.823 -0.112 0.000 1.001 127 V HN 0.394 nan 8.190 nan 0.000 0.431 128 R N 2.552 123.030 120.500 -0.036 0.000 2.508 128 R HA 0.607 4.947 4.340 0.000 0.000 0.283 128 R C -1.700 174.630 176.300 0.049 0.000 1.120 128 R CA -0.412 55.695 56.100 0.012 0.000 0.958 128 R CB 2.162 32.466 30.300 0.007 0.000 1.215 128 R HN 0.695 nan 8.270 nan 0.000 0.427 129 V N 0.455 120.436 119.914 0.111 0.000 2.394 129 V HA 0.595 4.715 4.120 0.000 0.000 0.282 129 V C -0.508 175.829 176.094 0.405 0.000 1.031 129 V CA -0.601 61.813 62.300 0.191 0.000 0.881 129 V CB 1.532 33.408 31.823 0.087 0.000 0.982 129 V HN 0.693 nan 8.190 nan 0.000 0.451 130 D N 2.557 123.163 120.400 0.343 0.000 2.350 130 D HA 0.594 5.234 4.640 0.000 0.000 0.238 130 D C 0.954 177.467 176.300 0.355 0.000 0.989 130 D CA -0.048 54.175 54.000 0.371 0.000 0.921 130 D CB 2.371 43.295 40.800 0.206 0.000 1.297 130 D HN 0.671 nan 8.370 nan 0.000 0.490 131 S N 0.295 116.223 115.700 0.381 0.000 2.315 131 S HA 0.226 4.696 4.470 0.000 0.000 0.211 131 S C 0.511 175.204 174.600 0.154 0.000 1.029 131 S CA 0.427 58.803 58.200 0.294 0.000 0.956 131 S CB -0.256 63.157 63.200 0.356 0.000 0.918 131 S HN 0.652 nan 8.310 nan 0.000 0.470 132 S N -0.644 115.137 115.700 0.136 0.000 2.690 132 S HA 0.345 4.815 4.470 0.000 0.000 0.264 132 S C -1.020 173.626 174.600 0.075 0.000 1.040 132 S CA -0.936 57.319 58.200 0.092 0.000 0.869 132 S CB 0.290 63.532 63.200 0.070 0.000 1.132 132 S HN 0.367 nan 8.310 nan 0.000 0.474 133 S N 0.841 116.574 115.700 0.055 0.000 2.558 133 S HA 0.466 4.936 4.470 0.000 0.000 0.293 133 S C 1.598 176.223 174.600 0.042 0.000 1.292 133 S CA 0.901 59.127 58.200 0.042 0.000 1.063 133 S CB -0.078 63.141 63.200 0.031 0.000 0.831 133 S HN 2.256 nan 8.310 nan 0.000 0.499 134 G N 2.402 111.225 108.800 0.038 0.000 3.329 134 G HA2 -0.253 3.707 3.960 0.000 0.000 0.220 134 G HA3 -0.253 3.707 3.960 0.000 0.000 0.220 134 G C 0.022 174.949 174.900 0.046 0.000 1.358 134 G CA -0.146 44.976 45.100 0.035 0.000 0.856 134 G HN 0.630 nan 8.290 nan 0.000 0.551 135 L N 2.540 123.800 121.223 0.061 0.000 2.433 135 L HA 0.476 4.816 4.340 0.000 0.000 0.275 135 L C 1.742 178.670 176.870 0.098 0.000 1.128 135 L CA 0.475 55.361 54.840 0.078 0.000 0.875 135 L CB 1.022 43.139 42.059 0.097 0.000 1.171 135 L HN 0.376 nan 8.230 nan 0.000 0.463 136 G N 1.638 110.487 108.800 0.083 0.000 3.314 136 G HA2 0.003 3.963 3.960 0.000 0.000 0.238 136 G HA3 0.003 3.963 3.960 0.000 0.000 0.238 136 G C 0.109 175.083 174.900 0.122 0.000 1.184 136 G CA -0.384 44.781 45.100 0.108 0.000 0.806 136 G HN 0.552 nan 8.290 nan 0.000 0.536 137 D N 0.703 121.141 120.400 0.064 0.000 2.371 137 D HA 0.422 5.062 4.640 0.000 0.000 0.256 137 D C -0.189 175.997 176.300 -0.190 0.000 1.193 137 D CA 0.334 54.251 54.000 -0.138 0.000 0.881 137 D CB 0.578 41.362 40.800 -0.026 0.000 1.143 137 D HN 0.507 nan 8.370 nan 0.000 0.473 138 Y N 0.104 120.097 120.300 -0.511 0.000 2.609 138 Y HA 0.626 5.176 4.550 0.000 0.000 0.336 138 Y C -2.039 173.677 175.900 -0.307 0.000 1.129 138 Y CA -1.674 56.224 58.100 -0.338 0.000 1.040 138 Y CB 0.921 39.324 38.460 -0.095 0.000 1.310 138 Y HN 0.200 nan 8.280 nan 0.000 0.460 139 L N 0.611 121.879 121.223 0.075 0.000 2.455 139 L HA 0.789 5.129 4.340 0.000 0.000 0.264 139 L C -1.346 175.623 176.870 0.166 0.000 0.968 139 L CA -0.916 53.993 54.840 0.114 0.000 0.827 139 L CB 2.465 44.605 42.059 0.135 0.000 1.317 139 L HN 0.900 nan 8.230 nan 0.000 0.407 140 E N 3.003 123.248 120.200 0.075 0.000 2.234 140 E HA 0.507 4.857 4.350 0.000 0.000 0.266 140 E C -1.905 174.605 176.600 -0.149 0.000 0.877 140 E CA -0.964 55.417 56.400 -0.031 0.000 0.758 140 E CB 2.275 31.936 29.700 -0.066 0.000 1.170 140 E HN 0.827 nan 8.360 nan 0.000 0.415 141 L N 6.285 127.440 121.223 -0.112 0.000 2.265 141 L HA 0.369 4.709 4.340 0.000 0.000 0.289 141 L C -1.040 175.844 176.870 0.023 0.000 1.033 141 L CA -0.157 54.634 54.840 -0.082 0.000 0.814 141 L CB 0.529 42.525 42.059 -0.105 0.000 1.203 141 L HN 0.581 nan 8.230 nan 0.000 0.423 142 H N 4.324 123.329 119.070 -0.109 0.000 2.907 142 H HA 0.666 5.222 4.556 0.001 0.000 0.361 142 H C -1.000 174.280 175.328 -0.081 0.000 1.194 142 H CA -1.574 54.425 56.048 -0.083 0.000 1.152 142 H CB 0.873 30.606 29.762 -0.048 0.000 1.867 142 H HN 0.515 nan 8.280 nan 0.000 0.561 143 I N 0.578 121.107 120.570 -0.068 0.000 2.693 143 I HA 0.402 4.573 4.170 0.000 0.000 0.303 143 I C -0.854 175.224 176.117 -0.065 0.000 1.025 143 I CA -0.635 60.586 61.300 -0.131 0.000 1.086 143 I CB 1.781 39.718 38.000 -0.106 0.000 1.268 143 I HN 0.676 nan 8.210 nan 0.000 0.440 144 H N 4.236 123.188 119.070 -0.197 0.000 3.163 144 H HA 0.162 4.718 4.556 0.001 0.000 0.322 144 H C -0.612 174.659 175.328 -0.096 0.000 1.047 144 H CA -0.503 55.452 56.048 -0.155 0.000 1.418 144 H CB 0.932 30.544 29.762 -0.250 0.000 2.016 144 H HN 0.657 nan 8.280 nan 0.000 0.454 145 Q N 3.089 122.660 119.800 -0.382 0.000 2.284 145 Q HA -0.296 4.045 4.340 0.000 0.000 0.205 145 Q C 1.015 176.936 176.000 -0.132 0.000 0.682 145 Q CA 1.783 57.411 55.803 -0.290 0.000 1.401 145 Q CB -1.422 27.086 28.738 -0.383 0.000 1.643 145 Q HN 1.287 nan 8.270 nan 0.000 0.717 146 G N -0.203 108.545 108.800 -0.086 0.000 2.604 146 G HA2 -0.261 3.699 3.960 0.000 0.000 0.205 146 G HA3 -0.261 3.699 3.960 0.000 0.000 0.205 146 G C -0.118 174.770 174.900 -0.021 0.000 1.186 146 G CA -0.071 45.011 45.100 -0.030 0.000 0.753 146 G HN 0.188 nan 8.290 nan 0.000 0.526 147 K N 1.141 121.521 120.400 -0.034 0.000 2.436 147 K HA 0.565 4.885 4.320 0.000 0.000 0.275 147 K C 0.199 176.772 176.600 -0.045 0.000 0.999 147 K CA 0.122 56.403 56.287 -0.010 0.000 0.980 147 K CB 1.732 34.228 32.500 -0.007 0.000 0.919 147 K HN 0.473 nan 8.250 nan 0.000 0.484 148 I N 1.085 121.638 120.570 -0.029 0.000 2.437 148 I HA 0.547 4.717 4.170 0.000 0.000 0.298 148 I C 0.074 176.169 176.117 -0.036 0.000 0.984 148 I CA 0.129 61.384 61.300 -0.075 0.000 1.214 148 I CB 1.091 39.044 38.000 -0.078 0.000 1.365 148 I HN 0.721 nan 8.210 nan 0.000 0.469 149 G N 5.437 114.210 108.800 -0.046 0.000 2.682 149 G HA2 0.640 4.600 3.960 0.000 0.000 0.303 149 G HA3 0.640 4.600 3.960 0.000 0.000 0.303 149 G C -1.959 173.010 174.900 0.114 0.000 1.341 149 G CA -0.471 44.650 45.100 0.035 0.000 0.784 149 G HN 0.522 nan 8.290 nan 0.000 0.497 150 V N 0.036 120.002 119.914 0.086 0.000 2.925 150 V HA 0.709 4.829 4.120 0.000 0.000 0.311 150 V C -0.574 175.553 176.094 0.055 0.000 1.104 150 V CA -0.874 61.380 62.300 -0.076 0.000 0.954 150 V CB 2.103 33.556 31.823 -0.615 0.000 1.022 150 V HN 0.885 nan 8.190 nan 0.000 0.427 151 K N 3.877 124.257 120.400 -0.034 0.000 2.427 151 K HA 0.811 5.131 4.320 0.000 0.000 0.252 151 K C -1.683 174.979 176.600 0.104 0.000 0.931 151 K CA -0.445 55.865 56.287 0.038 0.000 0.793 151 K CB 2.236 34.677 32.500 -0.099 0.000 1.211 151 K HN 0.659 nan 8.250 nan 0.000 0.426 152 F N 0.247 120.018 119.950 -0.299 0.000 2.741 152 F HA 0.600 5.127 4.527 0.000 0.000 0.313 152 F C -1.666 173.728 175.800 -0.677 0.000 1.153 152 F CA -1.073 56.581 58.000 -0.577 0.000 0.931 152 F CB 1.546 40.379 39.000 -0.279 0.000 1.335 152 F HN 0.507 nan 8.300 nan 0.000 0.460 153 N N 0.232 118.402 118.700 -0.883 0.000 2.554 153 N HA 0.401 5.141 4.740 0.000 0.000 0.271 153 N C -0.936 174.299 175.510 -0.458 0.000 1.081 153 N CA -0.471 52.176 53.050 -0.672 0.000 0.994 153 N CB 2.116 40.243 38.487 -0.600 0.000 1.641 153 N HN 0.923 nan 8.380 nan 0.000 0.511 154 V N 1.077 120.836 119.914 -0.258 0.000 3.276 154 V HA 0.742 4.862 4.120 0.000 0.000 0.319 154 V C 1.089 177.138 176.094 -0.074 0.000 1.427 154 V CA 0.646 62.853 62.300 -0.155 0.000 1.102 154 V CB 0.140 31.950 31.823 -0.022 0.000 1.020 154 V HN 0.844 nan 8.190 nan 0.000 0.456 155 G N 0.217 108.961 108.800 -0.092 0.000 4.373 155 G HA2 -0.114 3.846 3.960 0.000 0.000 0.195 155 G HA3 -0.114 3.846 3.960 0.000 0.000 0.195 155 G C 0.707 175.574 174.900 -0.054 0.000 1.377 155 G CA 0.579 45.651 45.100 -0.047 0.000 0.858 155 G HN 0.223 nan 8.290 nan 0.000 0.307 156 T N 0.796 115.309 114.554 -0.067 0.000 2.824 156 T HA 0.333 4.683 4.350 0.000 0.000 0.238 156 T C 0.290 174.939 174.700 -0.085 0.000 1.067 156 T CA 1.498 63.560 62.100 -0.062 0.000 1.286 156 T CB -0.141 68.695 68.868 -0.054 0.000 0.980 156 T HN 0.264 nan 8.240 nan 0.000 0.414 157 D N 0.102 120.427 120.400 -0.125 0.000 2.374 157 D HA 0.453 5.094 4.640 0.000 0.000 0.239 157 D C -1.211 174.950 176.300 -0.232 0.000 0.991 157 D CA -0.630 53.286 54.000 -0.141 0.000 0.960 157 D CB 1.224 41.950 40.800 -0.122 0.000 1.284 157 D HN 0.000 nan 8.370 nan 0.000 0.512 158 D N -0.013 120.266 120.400 -0.202 0.000 2.414 158 D HA 0.343 4.983 4.640 0.000 0.000 0.242 158 D C -0.325 175.771 176.300 -0.338 0.000 1.129 158 D CA 0.352 54.186 54.000 -0.277 0.000 0.885 158 D CB 0.495 41.216 40.800 -0.130 0.000 1.198 158 D HN 0.193 nan 8.370 nan 0.000 0.437 159 I N 0.163 120.398 120.570 -0.557 0.000 2.730 159 I HA 0.778 4.948 4.170 0.000 0.000 0.298 159 I C -0.503 175.445 176.117 -0.280 0.000 1.089 159 I CA -1.175 59.835 61.300 -0.483 0.000 1.041 159 I CB 2.127 39.669 38.000 -0.764 0.000 1.235 159 I HN 0.311 nan 8.210 nan 0.000 0.423 160 A N 4.977 127.785 122.820 -0.019 0.000 2.587 160 A HA 0.938 5.258 4.320 0.000 0.000 0.293 160 A C -1.549 176.130 177.584 0.158 0.000 1.087 160 A CA -0.586 51.522 52.037 0.118 0.000 0.692 160 A CB 2.276 21.328 19.000 0.086 0.000 1.291 160 A HN 0.784 nan 8.150 nan 0.000 0.407 161 I N 0.058 120.732 120.570 0.174 0.000 2.722 161 I HA 0.601 4.771 4.170 0.000 0.000 0.292 161 I C -1.287 174.897 176.117 0.112 0.000 1.267 161 I CA -0.064 61.324 61.300 0.146 0.000 1.036 161 I CB 1.932 40.054 38.000 0.203 0.000 1.281 161 I HN 0.886 nan 8.210 nan 0.000 0.423 162 E N 4.552 124.803 120.200 0.085 0.000 2.343 162 E HA 0.236 4.586 4.350 0.000 0.000 0.278 162 E C -1.448 175.191 176.600 0.066 0.000 0.910 162 E CA -0.651 55.788 56.400 0.065 0.000 0.757 162 E CB 1.815 31.547 29.700 0.053 0.000 1.218 162 E HN 0.492 nan 8.360 nan 0.000 0.435 163 E N 1.964 122.207 120.200 0.071 0.000 1.852 163 E HA 0.150 4.500 4.350 0.000 0.000 0.276 163 E C -0.489 176.170 176.600 0.098 0.000 1.163 163 E CA 0.346 56.809 56.400 0.106 0.000 1.117 163 E CB -0.108 29.676 29.700 0.140 0.000 1.124 163 E HN 0.396 nan 8.360 nan 0.000 0.458 164 S N 2.841 118.582 115.700 0.068 0.000 2.496 164 S HA 0.013 4.483 4.470 0.000 0.000 0.224 164 S C 1.293 175.915 174.600 0.036 0.000 0.996 164 S CA 0.028 58.254 58.200 0.043 0.000 0.927 164 S CB 0.026 63.244 63.200 0.030 0.000 0.774 164 S HN 0.477 nan 8.310 nan 0.000 0.524 165 N N 1.512 120.240 118.700 0.046 0.000 2.354 165 N HA 0.146 4.886 4.740 0.000 0.000 0.179 165 N C 0.276 175.779 175.510 -0.012 0.000 1.021 165 N CA 0.437 53.493 53.050 0.010 0.000 0.887 165 N CB 0.109 38.596 38.487 -0.001 0.000 0.974 165 N HN 0.368 nan 8.380 nan 0.000 0.437 166 A N 0.066 122.914 122.820 0.048 0.000 2.475 166 A HA 0.607 4.927 4.320 0.000 0.000 0.301 166 A C -1.021 176.659 177.584 0.160 0.000 1.059 166 A CA -0.551 51.498 52.037 0.021 0.000 0.710 166 A CB 1.495 20.361 19.000 -0.224 0.000 1.288 166 A HN 0.030 nan 8.150 nan 0.000 0.408 167 I N 1.626 122.265 120.570 0.114 0.000 2.385 167 I HA 0.469 4.639 4.170 0.000 0.000 0.294 167 I C 0.440 176.666 176.117 0.182 0.000 0.988 167 I CA -0.403 60.969 61.300 0.121 0.000 1.265 167 I CB 1.556 39.597 38.000 0.068 0.000 1.388 167 I HN 0.616 nan 8.210 nan 0.000 0.480 168 I N 3.666 124.324 120.570 0.148 0.000 4.442 168 I HA 0.355 4.525 4.170 0.000 0.000 0.331 168 I C -0.253 176.051 176.117 0.312 0.000 1.364 168 I CA -0.015 61.360 61.300 0.126 0.000 1.207 168 I CB -0.199 37.833 38.000 0.052 0.000 1.298 168 I HN 0.462 nan 8.210 nan 0.000 0.463 169 N N 2.031 120.863 118.700 0.221 0.000 3.105 169 N HA 0.186 4.926 4.740 0.000 0.000 0.256 169 N C -0.781 174.838 175.510 0.182 0.000 1.174 169 N CA -0.219 52.955 53.050 0.207 0.000 1.030 169 N CB 0.060 38.610 38.487 0.106 0.000 1.305 169 N HN 0.483 nan 8.380 nan 0.000 0.509 170 D N -0.671 119.869 120.400 0.233 0.000 2.865 170 D HA 0.175 4.816 4.640 0.000 0.000 0.347 170 D C 1.005 177.388 176.300 0.138 0.000 1.498 170 D CA -0.426 53.677 54.000 0.170 0.000 0.787 170 D CB -0.474 40.440 40.800 0.190 0.000 1.190 170 D HN 0.386 nan 8.370 nan 0.000 0.445 171 G N 0.935 109.818 108.800 0.139 0.000 2.243 171 G HA2 -0.404 3.556 3.960 0.000 0.000 0.276 171 G HA3 -0.404 3.556 3.960 0.000 0.000 0.276 171 G C 0.363 175.304 174.900 0.068 0.000 0.997 171 G CA 1.133 46.296 45.100 0.106 0.000 0.693 171 G HN 0.625 nan 8.290 nan 0.000 0.529 172 K N -0.841 119.581 120.400 0.036 0.000 2.090 172 K HA 0.540 4.860 4.320 0.000 0.000 0.249 172 K C -0.334 176.096 176.600 -0.284 0.000 0.995 172 K CA -1.109 55.108 56.287 -0.116 0.000 0.914 172 K CB 0.597 33.019 32.500 -0.130 0.000 1.057 172 K HN 0.036 nan 8.250 nan 0.000 0.462 173 Y N 3.212 123.179 120.300 -0.556 0.000 2.327 173 Y HA 0.261 4.811 4.550 0.000 0.000 0.336 173 Y C -0.942 174.424 175.900 -0.891 0.000 1.035 173 Y CA -0.395 57.304 58.100 -0.667 0.000 1.165 173 Y CB 0.391 38.499 38.460 -0.587 0.000 1.181 173 Y HN 0.531 nan 8.280 nan 0.000 0.494 174 H N 4.050 122.630 119.070 -0.816 0.000 2.865 174 H HA 0.584 5.140 4.556 0.000 0.000 0.372 174 H C -1.206 173.447 175.328 -1.125 0.000 1.173 174 H CA -0.908 54.507 56.048 -1.054 0.000 1.147 174 H CB 2.020 31.189 29.762 -0.988 0.000 1.805 174 H HN 0.421 nan 8.280 nan 0.000 0.553 175 V N 2.163 121.665 119.914 -0.686 0.000 2.417 175 V HA 0.217 4.338 4.120 0.000 0.000 0.291 175 V C -0.068 175.872 176.094 -0.256 0.000 1.024 175 V CA -0.706 61.363 62.300 -0.386 0.000 0.861 175 V CB 2.101 33.766 31.823 -0.264 0.000 0.985 175 V HN 0.453 nan 8.190 nan 0.000 0.436 176 V N 7.093 126.971 119.914 -0.059 0.000 2.581 176 V HA 0.709 4.829 4.120 0.000 0.000 0.303 176 V C -0.220 175.921 176.094 0.079 0.000 1.041 176 V CA -0.442 61.890 62.300 0.053 0.000 0.907 176 V CB 1.786 33.754 31.823 0.242 0.000 0.994 176 V HN 0.936 nan 8.190 nan 0.000 0.442 177 R N 4.354 124.901 120.500 0.078 0.000 2.867 177 R HA 0.625 4.965 4.340 0.000 0.000 0.268 177 R C -2.015 174.403 176.300 0.196 0.000 1.014 177 R CA -0.609 55.556 56.100 0.108 0.000 0.946 177 R CB 2.609 32.943 30.300 0.056 0.000 1.208 177 R HN 0.645 nan 8.270 nan 0.000 0.477 178 F N 0.385 120.315 119.950 -0.034 0.000 2.630 178 F HA 0.313 4.840 4.527 0.000 0.000 0.325 178 F C -1.065 174.676 175.800 -0.098 0.000 1.184 178 F CA -0.270 57.695 58.000 -0.059 0.000 1.011 178 F CB 1.796 40.765 39.000 -0.051 0.000 1.268 178 F HN 0.410 nan 8.300 nan 0.000 0.480 179 T N 5.087 119.183 114.554 -0.765 0.000 2.927 179 T HA 0.702 5.052 4.350 0.000 0.000 0.281 179 T C -0.773 173.218 174.700 -1.182 0.000 0.998 179 T CA -0.823 60.829 62.100 -0.748 0.000 1.019 179 T CB 1.853 70.489 68.868 -0.387 0.000 1.061 179 T HN 0.721 nan 8.240 nan 0.000 0.518 180 R N -0.147 119.942 120.500 -0.685 0.000 2.604 180 R HA 0.500 4.840 4.340 0.000 0.000 0.270 180 R C -1.335 174.821 176.300 -0.240 0.000 1.052 180 R CA -0.426 55.371 56.100 -0.505 0.000 0.902 180 R CB 1.754 31.744 30.300 -0.516 0.000 1.233 180 R HN 0.656 nan 8.270 nan 0.000 0.455 181 S N 2.512 118.139 115.700 -0.122 0.000 2.128 181 S HA 0.406 4.876 4.470 0.000 0.000 0.157 181 S C 0.491 175.094 174.600 0.005 0.000 1.650 181 S CA 0.395 58.564 58.200 -0.052 0.000 1.269 181 S CB 0.258 63.439 63.200 -0.032 0.000 1.227 181 S HN 1.068 nan 8.310 nan 0.000 0.405 182 G N 2.772 111.584 108.800 0.019 0.000 2.601 182 G HA2 -0.369 3.591 3.960 0.000 0.000 0.306 182 G HA3 -0.369 3.591 3.960 0.000 0.000 0.306 182 G C 1.166 176.158 174.900 0.153 0.000 1.172 182 G CA 0.278 45.422 45.100 0.073 0.000 0.966 182 G HN 1.329 nan 8.290 nan 0.000 0.542 183 G N 0.836 109.710 108.800 0.123 0.000 2.422 183 G HA2 0.035 3.995 3.960 0.000 0.000 0.218 183 G HA3 0.035 3.995 3.960 0.000 0.000 0.218 183 G C 0.794 175.835 174.900 0.234 0.000 1.146 183 G CA 1.505 46.695 45.100 0.150 0.000 0.769 183 G HN 0.805 nan 8.290 nan 0.000 0.547 184 N N 0.535 119.353 118.700 0.196 0.000 2.476 184 N HA 0.657 5.398 4.740 0.000 0.000 0.275 184 N C -0.138 175.459 175.510 0.145 0.000 1.190 184 N CA 0.339 53.537 53.050 0.246 0.000 0.977 184 N CB 1.772 40.447 38.487 0.313 0.000 1.200 184 N HN 0.361 nan 8.380 nan 0.000 0.515 185 A N -0.799 122.087 122.820 0.111 0.000 2.515 185 A HA 0.695 5.015 4.320 0.000 0.000 0.292 185 A C -1.040 176.526 177.584 -0.029 0.000 1.065 185 A CA -0.571 51.418 52.037 -0.081 0.000 0.641 185 A CB 1.332 20.202 19.000 -0.217 0.000 1.306 185 A HN 0.649 nan 8.150 nan 0.000 0.441 186 T N -0.796 113.702 114.554 -0.095 0.000 2.885 186 T HA 0.625 4.976 4.350 0.000 0.000 0.322 186 T C -2.152 172.582 174.700 0.056 0.000 1.387 186 T CA -0.012 62.084 62.100 -0.007 0.000 1.041 186 T CB 1.160 70.011 68.868 -0.028 0.000 1.287 186 T HN 2.292 nan 8.240 nan 0.000 0.491 187 L N 3.120 124.406 121.223 0.104 0.000 2.472 187 L HA 0.927 5.267 4.340 0.000 0.000 0.260 187 L C -1.946 174.969 176.870 0.076 0.000 0.963 187 L CA -0.305 54.625 54.840 0.151 0.000 0.829 187 L CB 2.133 44.326 42.059 0.222 0.000 1.348 187 L HN 0.985 nan 8.230 nan 0.000 0.408 188 Q N 2.764 122.591 119.800 0.046 0.000 2.352 188 Q HA 0.716 5.057 4.340 0.000 0.000 0.270 188 Q C -2.099 173.837 176.000 -0.106 0.000 1.006 188 Q CA -0.825 54.971 55.803 -0.011 0.000 0.880 188 Q CB 1.984 30.721 28.738 -0.001 0.000 1.392 188 Q HN 0.438 nan 8.270 nan 0.000 0.401 189 V N 3.203 122.960 119.914 -0.260 0.000 2.427 189 V HA 0.379 4.499 4.120 0.000 0.000 0.286 189 V C 0.266 175.889 176.094 -0.784 0.000 1.034 189 V CA 0.113 62.110 62.300 -0.505 0.000 0.893 189 V CB 0.704 32.103 31.823 -0.705 0.000 0.982 189 V HN 1.016 nan 8.190 nan 0.000 0.452 190 D N 3.315 123.369 120.400 -0.577 0.000 3.321 190 D HA -0.244 4.396 4.640 0.000 0.000 0.178 190 D C 0.861 176.983 176.300 -0.297 0.000 1.208 190 D CA 1.593 55.306 54.000 -0.479 0.000 1.074 190 D CB -0.606 39.839 40.800 -0.592 0.000 0.560 190 D HN 0.644 nan 8.370 nan 0.000 0.618 191 S N -0.021 115.599 115.700 -0.133 0.000 2.582 191 S HA 0.103 4.573 4.470 0.000 0.000 0.234 191 S C 0.158 174.908 174.600 0.250 0.000 0.961 191 S CA -0.546 57.696 58.200 0.070 0.000 0.953 191 S CB 0.080 63.345 63.200 0.108 0.000 0.800 191 S HN 0.206 nan 8.310 nan 0.000 0.471 192 W N 2.415 123.702 121.300 -0.021 0.000 1.916 192 W HA 0.420 5.080 4.660 0.001 0.000 0.403 192 W C -2.636 173.877 176.519 -0.010 0.000 1.711 192 W CA -3.142 54.193 57.345 -0.017 0.000 1.879 192 W CB -1.818 27.627 29.460 -0.025 0.000 1.359 192 W HN -0.104 nan 8.180 nan 0.000 0.718 193 P HA 0.037 nan 4.420 nan 0.000 0.265 193 P C -0.305 177.054 177.300 0.098 0.000 1.193 193 P CA -0.121 63.058 63.100 0.130 0.000 0.765 193 P CB 0.141 31.901 31.700 0.101 0.000 0.823 194 V N 2.423 122.374 119.914 0.062 0.000 2.458 194 V HA 0.043 4.163 4.120 0.000 0.000 0.287 194 V C 0.343 176.456 176.094 0.032 0.000 1.009 194 V CA 0.100 62.425 62.300 0.041 0.000 1.091 194 V CB -0.706 31.134 31.823 0.029 0.000 0.960 194 V HN 0.269 nan 8.190 nan 0.000 0.476 195 I N 4.913 125.503 120.570 0.033 0.000 2.291 195 I HA 0.412 4.582 4.170 0.000 0.000 0.292 195 I C 0.653 176.752 176.117 -0.029 0.000 1.064 195 I CA -0.105 61.205 61.300 0.016 0.000 1.269 195 I CB 0.461 38.489 38.000 0.045 0.000 1.418 195 I HN 0.806 nan 8.210 nan 0.000 0.485 196 E N 5.687 125.822 120.200 -0.109 0.000 2.231 196 E HA 0.528 4.878 4.350 0.000 0.000 0.277 196 E C -0.239 176.118 176.600 -0.405 0.000 0.999 196 E CA -0.839 55.394 56.400 -0.279 0.000 0.827 196 E CB 1.801 31.277 29.700 -0.374 0.000 1.101 196 E HN 0.185 nan 8.360 nan 0.000 0.393 197 R N 2.765 122.992 120.500 -0.455 0.000 2.680 197 R HA 0.189 4.529 4.340 0.000 0.000 0.278 197 R C -2.064 174.144 176.300 -0.154 0.000 1.582 197 R CA -0.396 55.556 56.100 -0.246 0.000 1.177 197 R CB 0.086 30.384 30.300 -0.004 0.000 1.232 197 R HN 0.530 nan 8.270 nan 0.000 0.528 198 Y N 4.545 124.879 120.300 0.056 0.000 2.385 198 Y HA 0.465 5.015 4.550 0.000 0.000 0.341 198 Y C -1.591 174.330 175.900 0.035 0.000 0.965 198 Y CA -2.303 55.823 58.100 0.043 0.000 1.180 198 Y CB 1.340 39.817 38.460 0.028 0.000 1.139 198 Y HN 0.393 nan 8.280 nan 0.000 0.502 199 P HA 0.417 nan 4.420 nan 0.000 0.296 199 P C -0.591 176.750 177.300 0.067 0.000 1.306 199 P CA -0.360 62.791 63.100 0.084 0.000 0.818 199 P CB 1.643 33.368 31.700 0.041 0.000 0.969 232 R N 0.428 120.925 120.500 -0.004 0.000 2.638 232 R HA 0.363 4.704 4.340 0.000 0.000 0.268 232 R C -0.366 175.930 176.300 -0.007 0.000 1.006 232 R CA 0.652 56.749 56.100 -0.005 0.000 1.088 232 R CB 0.334 30.630 30.300 -0.007 0.000 0.950 232 R HN 0.389 nan 8.270 nan 0.000 0.419 233 Q N 3.077 122.875 119.800 -0.003 0.000 2.271 233 Q HA 0.285 4.625 4.340 0.000 0.000 0.268 233 Q C -1.111 174.890 176.000 0.001 0.000 1.021 233 Q CA -0.620 55.181 55.803 -0.003 0.000 0.802 233 Q CB 2.044 30.790 28.738 0.012 0.000 1.282 233 Q HN 0.605 nan 8.270 nan 0.000 0.431 234 L N 1.703 122.922 121.223 -0.005 0.000 2.395 234 L HA 0.336 4.676 4.340 0.000 0.000 0.269 234 L C 1.079 177.961 176.870 0.021 0.000 1.133 234 L CA 0.340 55.181 54.840 0.003 0.000 0.812 234 L CB 1.163 43.218 42.059 -0.006 0.000 1.125 234 L HN 0.803 nan 8.230 nan 0.000 0.452 235 T N -0.611 113.961 114.554 0.029 0.000 3.001 235 T HA 0.284 4.635 4.350 0.000 0.000 0.251 235 T C 0.051 174.786 174.700 0.060 0.000 1.040 235 T CA -0.125 62.000 62.100 0.042 0.000 0.985 235 T CB 0.021 68.903 68.868 0.024 0.000 1.011 235 T HN 0.239 nan 8.240 nan 0.000 0.509 236 I N 1.623 122.231 120.570 0.065 0.000 2.411 236 I HA 0.404 4.574 4.170 0.000 0.000 0.284 236 I C -0.691 175.522 176.117 0.161 0.000 1.012 236 I CA -1.905 59.451 61.300 0.093 0.000 1.119 236 I CB 0.753 38.788 38.000 0.057 0.000 1.261 236 I HN -0.073 nan 8.210 nan 0.000 0.448 237 F N 6.055 126.014 119.950 0.015 0.000 2.650 237 F HA 0.216 4.743 4.527 0.000 0.000 0.338 237 F C 0.446 176.242 175.800 -0.007 0.000 1.311 237 F CA -0.657 57.356 58.000 0.021 0.000 1.106 237 F CB -1.002 38.020 39.000 0.038 0.000 1.500 237 F HN 0.476 nan 8.300 nan 0.000 0.670 238 N N 2.901 121.787 118.700 0.310 0.000 2.447 238 N HA 0.067 4.807 4.740 0.000 0.000 0.263 238 N C 0.180 175.757 175.510 0.111 0.000 1.226 238 N CA 0.589 53.725 53.050 0.145 0.000 0.906 238 N CB 0.470 39.018 38.487 0.100 0.000 1.060 238 N HN 0.492 nan 8.380 nan 0.000 0.468 239 S N 0.901 116.574 115.700 -0.046 0.000 3.488 239 S HA -0.220 4.250 4.470 0.000 0.000 0.492 239 S C -0.529 173.969 174.600 -0.169 0.000 0.779 239 S CA 0.079 58.215 58.200 -0.107 0.000 1.378 239 S CB -1.026 62.161 63.200 -0.021 0.000 0.924 239 S HN 0.552 nan 8.310 nan 0.000 0.719 240 Q N 2.051 121.580 119.800 -0.453 0.000 2.259 240 Q HA 0.678 5.018 4.340 0.000 0.000 0.246 240 Q C 0.916 176.746 176.000 -0.284 0.000 0.920 240 Q CA 0.150 55.628 55.803 -0.542 0.000 0.895 240 Q CB 1.405 29.518 28.738 -1.042 0.000 1.220 240 Q HN 0.809 nan 8.270 nan 0.000 0.439 241 A N 1.116 124.004 122.820 0.112 0.000 2.480 241 A HA 0.189 4.509 4.320 0.000 0.000 0.191 241 A C 0.083 177.947 177.584 0.466 0.000 1.503 241 A CA 0.413 52.650 52.037 0.333 0.000 1.110 241 A CB 0.831 19.930 19.000 0.165 0.000 1.401 241 A HN 0.687 nan 8.150 nan 0.000 0.533 242 T N -1.630 113.188 114.554 0.441 0.000 2.923 242 T HA 0.683 5.033 4.350 0.000 0.000 0.311 242 T C -1.146 173.713 174.700 0.264 0.000 1.183 242 T CA -0.422 61.855 62.100 0.296 0.000 1.020 242 T CB 1.253 70.215 68.868 0.157 0.000 1.165 242 T HN 0.263 nan 8.240 nan 0.000 0.482 243 I N 2.923 123.579 120.570 0.143 0.000 2.405 243 I HA 0.393 4.563 4.170 0.000 0.000 0.280 243 I C -0.416 175.711 176.117 0.017 0.000 1.027 243 I CA -0.859 60.450 61.300 0.015 0.000 1.161 243 I CB 1.206 39.108 38.000 -0.164 0.000 1.300 243 I HN 0.564 nan 8.210 nan 0.000 0.463 244 I N 7.033 127.617 120.570 0.023 0.000 2.325 244 I HA 0.338 4.508 4.170 0.000 0.000 0.291 244 I C -0.145 175.974 176.117 0.004 0.000 1.019 244 I CA -0.351 60.963 61.300 0.024 0.000 1.302 244 I CB 1.102 39.121 38.000 0.033 0.000 1.401 244 I HN 0.417 nan 8.210 nan 0.000 0.485 245 I N 5.982 126.566 120.570 0.024 0.000 2.390 245 I HA 0.501 4.671 4.170 0.000 0.000 0.283 245 I C 0.758 176.960 176.117 0.142 0.000 1.016 245 I CA -0.078 61.229 61.300 0.011 0.000 1.151 245 I CB 1.322 39.315 38.000 -0.012 0.000 1.293 245 I HN 0.860 nan 8.210 nan 0.000 0.458 246 G N 3.274 112.139 108.800 0.109 0.000 3.685 246 G HA2 0.087 4.048 3.960 0.000 0.000 0.215 246 G HA3 0.087 4.048 3.960 0.000 0.000 0.215 246 G C 0.893 175.926 174.900 0.222 0.000 0.987 246 G CA 0.154 45.432 45.100 0.297 0.000 0.884 246 G HN 1.071 nan 8.290 nan 0.000 0.406 247 G N 0.306 109.181 108.800 0.125 0.000 2.176 247 G HA2 -0.295 3.666 3.960 0.000 0.000 0.253 247 G HA3 -0.295 3.666 3.960 0.000 0.000 0.253 247 G C 0.969 175.924 174.900 0.091 0.000 0.979 247 G CA 1.427 46.585 45.100 0.097 0.000 0.641 247 G HN 0.721 nan 8.290 nan 0.000 0.530 248 K N 0.159 120.622 120.400 0.105 0.000 2.504 248 K HA 0.057 4.378 4.320 0.000 0.000 0.195 248 K C 1.986 178.615 176.600 0.048 0.000 1.036 248 K CA 1.116 57.450 56.287 0.079 0.000 0.984 248 K CB -0.024 32.525 32.500 0.082 0.000 0.788 248 K HN 0.650 nan 8.250 nan 0.000 0.488 249 E N -0.133 120.091 120.200 0.040 0.000 2.132 249 E HA -0.070 4.280 4.350 0.000 0.000 0.193 249 E C 1.140 177.745 176.600 0.008 0.000 0.951 249 E CA 0.339 56.751 56.400 0.020 0.000 0.843 249 E CB 0.315 30.024 29.700 0.015 0.000 0.807 249 E HN 0.141 nan 8.360 nan 0.000 0.467 250 Q N -0.194 119.610 119.800 0.007 0.000 2.491 250 Q HA 0.059 4.400 4.340 0.000 0.000 0.214 250 Q C 0.875 176.877 176.000 0.002 0.000 0.970 250 Q CA 0.746 56.542 55.803 -0.011 0.000 0.960 250 Q CB 0.127 28.852 28.738 -0.021 0.000 0.996 250 Q HN 0.433 nan 8.270 nan 0.000 0.524 251 G N 0.861 109.670 108.800 0.016 0.000 2.180 251 G HA2 -0.347 3.613 3.960 0.000 0.000 0.263 251 G HA3 -0.347 3.613 3.960 0.000 0.000 0.263 251 G C -0.143 174.775 174.900 0.030 0.000 0.989 251 G CA 0.673 45.785 45.100 0.019 0.000 0.692 251 G HN 0.517 nan 8.290 nan 0.000 0.526 252 Q N -0.989 118.837 119.800 0.043 0.000 3.255 252 Q HA 0.514 4.855 4.340 0.000 0.000 0.231 252 Q C -3.045 173.008 176.000 0.088 0.000 0.935 252 Q CA -2.165 53.673 55.803 0.059 0.000 0.714 252 Q CB 2.187 30.960 28.738 0.058 0.000 1.345 252 Q HN 0.237 nan 8.270 nan 0.000 0.463 253 P HA 0.109 nan 4.420 nan 0.000 0.272 253 P C -1.130 176.293 177.300 0.205 0.000 1.254 253 P CA -0.244 62.949 63.100 0.155 0.000 0.795 253 P CB 0.438 32.218 31.700 0.134 0.000 1.022 254 F N 0.210 120.221 119.950 0.101 0.000 2.469 254 F HA 0.416 4.943 4.527 0.000 0.000 0.332 254 F C -0.606 175.283 175.800 0.148 0.000 1.103 254 F CA -0.410 57.626 58.000 0.061 0.000 0.979 254 F CB 1.595 40.560 39.000 -0.059 0.000 1.137 254 F HN 0.184 nan 8.300 nan 0.000 0.463 255 Q N 4.879 124.206 119.800 -0.789 0.000 2.320 255 Q HA 0.656 4.996 4.340 0.000 0.000 0.268 255 Q C -0.309 175.079 176.000 -1.020 0.000 1.023 255 Q CA -0.667 54.794 55.803 -0.570 0.000 0.744 255 Q CB 1.955 30.549 28.738 -0.241 0.000 1.246 255 Q HN 1.054 nan 8.270 nan 0.000 0.462 256 G N 1.635 109.991 108.800 -0.740 0.000 2.498 256 G HA2 0.136 4.096 3.960 0.000 0.000 0.181 256 G HA3 0.136 4.096 3.960 0.000 0.000 0.181 256 G C -1.641 173.396 174.900 0.228 0.000 1.169 256 G CA -0.546 44.373 45.100 -0.302 0.000 0.992 256 G HN 0.354 nan 8.290 nan 0.000 0.490 257 Q N -0.243 119.826 119.800 0.448 0.000 2.331 257 Q HA 0.664 5.004 4.340 0.000 0.000 0.272 257 Q C -1.456 174.737 176.000 0.323 0.000 1.062 257 Q CA -0.547 55.463 55.803 0.345 0.000 0.806 257 Q CB 2.872 31.747 28.738 0.229 0.000 1.312 257 Q HN 0.448 nan 8.270 nan 0.000 0.431 258 L N 1.605 122.899 121.223 0.119 0.000 2.410 258 L HA 0.657 4.997 4.340 0.000 0.000 0.270 258 L C -0.519 176.361 176.870 0.016 0.000 0.983 258 L CA -0.648 54.218 54.840 0.043 0.000 0.822 258 L CB 2.045 43.995 42.059 -0.182 0.000 1.285 258 L HN 0.683 nan 8.230 nan 0.000 0.409 259 S N 0.041 115.784 115.700 0.072 0.000 2.595 259 S HA 0.759 5.230 4.470 0.000 0.000 0.281 259 S C 0.265 174.931 174.600 0.111 0.000 1.117 259 S CA -0.312 57.920 58.200 0.054 0.000 0.873 259 S CB 1.869 65.068 63.200 -0.000 0.000 1.108 259 S HN 1.097 nan 8.310 nan 0.000 0.477 260 G N 0.590 109.440 108.800 0.084 0.000 2.334 260 G HA2 -0.162 3.799 3.960 0.000 0.000 0.279 260 G HA3 -0.162 3.799 3.960 0.000 0.000 0.279 260 G C -0.451 174.518 174.900 0.115 0.000 0.918 260 G CA 0.238 45.392 45.100 0.091 0.000 1.314 260 G HN 1.154 nan 8.290 nan 0.000 0.463 261 L N 2.378 123.651 121.223 0.084 0.000 2.278 261 L HA 0.709 5.049 4.340 0.000 0.000 0.287 261 L C -0.411 176.566 176.870 0.177 0.000 1.072 261 L CA -1.655 53.245 54.840 0.099 0.000 0.819 261 L CB 0.530 42.599 42.059 0.017 0.000 1.176 261 L HN 0.368 nan 8.230 nan 0.000 0.435 262 Y N 6.385 126.723 120.300 0.064 0.000 2.338 262 Y HA 0.462 5.013 4.550 0.000 0.000 0.333 262 Y C -2.002 173.980 175.900 0.137 0.000 0.968 262 Y CA -1.511 56.631 58.100 0.070 0.000 1.123 262 Y CB 1.060 39.547 38.460 0.045 0.000 1.165 262 Y HN 0.630 nan 8.280 nan 0.000 0.452 263 Y N 7.771 128.032 120.300 -0.066 0.000 2.361 263 Y HA 0.364 4.914 4.550 0.000 0.000 0.328 263 Y C 0.333 176.145 175.900 -0.147 0.000 1.044 263 Y CA -0.811 57.193 58.100 -0.160 0.000 1.085 263 Y CB 0.762 39.209 38.460 -0.023 0.000 1.194 263 Y HN 0.881 nan 8.280 nan 0.000 0.438 264 N N 2.905 121.062 118.700 -0.904 0.000 2.057 264 N HA -0.264 4.477 4.740 0.000 0.000 0.158 264 N C 0.512 175.893 175.510 -0.216 0.000 0.489 264 N CA 2.521 55.231 53.050 -0.568 0.000 1.377 264 N CB -1.432 36.780 38.487 -0.459 0.000 1.348 264 N HN 1.019 nan 8.380 nan 0.000 0.413 265 G N -0.669 108.148 108.800 0.029 0.000 4.864 265 G HA2 0.543 4.504 3.960 0.000 0.000 0.280 265 G HA3 0.543 4.504 3.960 0.000 0.000 0.280 265 G C -1.147 173.869 174.900 0.193 0.000 1.239 265 G CA -0.119 45.105 45.100 0.206 0.000 0.951 265 G HN 0.181 nan 8.290 nan 0.000 0.583 266 L N 0.236 121.588 121.223 0.216 0.000 2.372 266 L HA 0.417 4.757 4.340 0.000 0.000 0.274 266 L C 0.169 177.123 176.870 0.141 0.000 0.988 266 L CA -0.558 54.344 54.840 0.104 0.000 0.833 266 L CB 2.097 44.145 42.059 -0.019 0.000 1.236 266 L HN 0.006 nan 8.230 nan 0.000 0.410 267 K N 2.590 123.034 120.400 0.074 0.000 2.155 267 K HA 0.169 4.489 4.320 0.000 0.000 0.240 267 K C 1.023 177.613 176.600 -0.016 0.000 1.193 267 K CA -0.187 56.127 56.287 0.044 0.000 1.104 267 K CB 0.481 32.986 32.500 0.007 0.000 1.558 267 K HN 0.451 nan 8.250 nan 0.000 0.313 268 V N 1.894 121.780 119.914 -0.048 0.000 2.407 268 V HA -0.270 3.850 4.120 0.000 0.000 0.248 268 V C 1.944 177.969 176.094 -0.116 0.000 1.055 268 V CA 1.582 63.798 62.300 -0.141 0.000 1.049 268 V CB -0.431 31.271 31.823 -0.203 0.000 0.662 268 V HN 0.667 nan 8.190 nan 0.000 0.455 269 L N -0.163 120.996 121.223 -0.108 0.000 2.156 269 L HA -0.129 4.212 4.340 0.000 0.000 0.208 269 L C 2.209 179.033 176.870 -0.075 0.000 1.095 269 L CA 1.613 56.348 54.840 -0.176 0.000 0.770 269 L CB -0.702 41.244 42.059 -0.189 0.000 0.914 269 L HN 0.395 nan 8.230 nan 0.000 0.439 270 N N -0.303 118.388 118.700 -0.014 0.000 2.216 270 N HA -0.136 4.605 4.740 0.000 0.000 0.183 270 N C 1.939 177.459 175.510 0.017 0.000 1.017 270 N CA 0.858 53.922 53.050 0.024 0.000 0.861 270 N CB -0.040 38.458 38.487 0.018 0.000 0.986 270 N HN 0.190 nan 8.380 nan 0.000 0.428 271 M N 0.298 119.893 119.600 -0.008 0.000 2.082 271 M HA -0.195 4.285 4.480 0.000 0.000 0.258 271 M C 1.964 178.275 176.300 0.019 0.000 1.069 271 M CA 1.640 56.941 55.300 0.002 0.000 1.102 271 M CB -0.023 32.562 32.600 -0.025 0.000 1.336 271 M HN 0.275 nan 8.290 nan 0.000 0.404 272 A N -0.734 122.086 122.820 -0.000 0.000 1.970 272 A HA 0.135 4.455 4.320 0.000 0.000 0.216 272 A C 2.186 179.825 177.584 0.091 0.000 1.170 272 A CA 1.283 53.332 52.037 0.019 0.000 0.645 272 A CB -0.808 18.161 19.000 -0.052 0.000 0.816 272 A HN 0.536 nan 8.150 nan 0.000 0.447 273 A N 0.262 123.154 122.820 0.121 0.000 1.845 273 A HA -0.155 4.165 4.320 0.000 0.000 0.215 273 A C 1.873 179.516 177.584 0.098 0.000 1.195 273 A CA 1.531 53.680 52.037 0.187 0.000 0.616 273 A CB -0.518 18.602 19.000 0.201 0.000 0.832 273 A HN 0.486 nan 8.150 nan 0.000 0.443 274 E N -0.671 119.568 120.200 0.064 0.000 2.268 274 E HA -0.127 4.224 4.350 0.000 0.000 0.195 274 E C -0.137 176.484 176.600 0.036 0.000 0.995 274 E CA 0.767 57.192 56.400 0.042 0.000 0.836 274 E CB -0.271 29.448 29.700 0.031 0.000 0.763 274 E HN 0.709 nan 8.360 nan 0.000 0.491 275 N N 1.350 120.074 118.700 0.040 0.000 3.251 275 N HA -0.115 4.626 4.740 0.000 0.000 0.258 275 N C -1.442 174.081 175.510 0.022 0.000 1.076 275 N CA -0.045 53.024 53.050 0.031 0.000 0.671 275 N CB -0.457 38.044 38.487 0.024 0.000 1.089 275 N HN -0.013 nan 8.380 nan 0.000 0.583 276 D N 1.158 121.573 120.400 0.025 0.000 2.295 276 D HA 0.405 5.045 4.640 0.000 0.000 0.248 276 D C 1.357 177.655 176.300 -0.003 0.000 1.154 276 D CA 0.481 54.494 54.000 0.021 0.000 0.857 276 D CB 1.537 42.365 40.800 0.048 0.000 1.117 276 D HN 0.476 nan 8.370 nan 0.000 0.468 277 A N 4.433 127.244 122.820 -0.015 0.000 1.986 277 A HA -0.225 4.095 4.320 0.000 0.000 0.220 277 A C 1.267 178.811 177.584 -0.067 0.000 1.171 277 A CA 1.355 53.373 52.037 -0.032 0.000 0.640 277 A CB -0.639 18.345 19.000 -0.027 0.000 0.811 277 A HN 0.818 nan 8.150 nan 0.000 0.451 278 N N -0.504 118.131 118.700 -0.109 0.000 2.623 278 N HA 0.324 5.064 4.740 0.000 0.000 0.263 278 N C -0.569 174.772 175.510 -0.282 0.000 1.218 278 N CA -0.154 52.763 53.050 -0.222 0.000 0.949 278 N CB -0.005 38.288 38.487 -0.324 0.000 1.270 278 N HN 0.426 nan 8.380 nan 0.000 0.507 279 I N 0.626 121.122 120.570 -0.124 0.000 2.498 279 I HA 0.418 4.588 4.170 0.000 0.000 0.290 279 I C -0.277 175.813 176.117 -0.045 0.000 1.032 279 I CA -1.094 60.167 61.300 -0.065 0.000 1.073 279 I CB 1.986 39.996 38.000 0.016 0.000 1.251 279 I HN 0.098 nan 8.210 nan 0.000 0.426 280 A N 7.546 130.343 122.820 -0.039 0.000 2.304 280 A HA 0.885 5.206 4.320 0.000 0.000 0.301 280 A C -0.530 177.051 177.584 -0.005 0.000 1.132 280 A CA -0.381 51.643 52.037 -0.022 0.000 0.819 280 A CB 0.663 19.650 19.000 -0.023 0.000 1.094 280 A HN 0.663 nan 8.150 nan 0.000 0.492 281 I N 1.239 121.808 120.570 -0.002 0.000 2.582 281 I HA 0.658 4.828 4.170 0.000 0.000 0.292 281 I C -0.754 175.356 176.117 -0.011 0.000 1.066 281 I CA -0.936 60.364 61.300 0.001 0.000 1.053 281 I CB 1.763 39.775 38.000 0.020 0.000 1.241 281 I HN 0.459 nan 8.210 nan 0.000 0.421 282 V N 3.820 123.721 119.914 -0.022 0.000 3.188 282 V HA 0.952 5.073 4.120 0.000 0.000 0.305 282 V C 0.218 176.281 176.094 -0.052 0.000 1.232 282 V CA 0.757 63.041 62.300 -0.027 0.000 1.043 282 V CB 1.844 33.659 31.823 -0.013 0.000 1.068 282 V HN 1.197 nan 8.190 nan 0.000 0.439 283 G N 3.754 112.526 108.800 -0.047 0.000 2.542 283 G HA2 -0.190 3.770 3.960 0.000 0.000 0.235 283 G HA3 -0.190 3.770 3.960 0.000 0.000 0.235 283 G C -0.463 174.384 174.900 -0.089 0.000 1.286 283 G CA 0.102 45.168 45.100 -0.057 0.000 0.904 283 G HN 1.058 nan 8.290 nan 0.000 0.577 284 N N 0.643 119.277 118.700 -0.109 0.000 2.439 284 N HA 0.494 5.234 4.740 0.000 0.000 0.243 284 N C -0.623 174.734 175.510 -0.256 0.000 1.088 284 N CA 0.209 53.184 53.050 -0.126 0.000 0.940 284 N CB 1.346 39.791 38.487 -0.070 0.000 1.180 284 N HN 0.682 nan 8.380 nan 0.000 0.505 285 V N 2.364 122.147 119.914 -0.218 0.000 2.789 285 V HA 0.454 4.574 4.120 0.000 0.000 0.300 285 V C -0.301 175.719 176.094 -0.125 0.000 1.184 285 V CA -0.742 61.402 62.300 -0.260 0.000 0.930 285 V CB 2.755 34.411 31.823 -0.278 0.000 1.041 285 V HN 0.558 nan 8.190 nan 0.000 0.430 286 R N 3.096 123.505 120.500 -0.151 0.000 2.710 286 R HA 0.670 5.010 4.340 0.000 0.000 0.270 286 R C -2.142 173.818 176.300 -0.567 0.000 1.021 286 R CA -0.837 55.098 56.100 -0.275 0.000 0.889 286 R CB 2.083 32.285 30.300 -0.164 0.000 1.243 286 R HN 0.549 nan 8.270 nan 0.000 0.464 287 L N 2.392 123.233 121.223 -0.637 0.000 2.276 287 L HA 0.352 4.692 4.340 0.000 0.000 0.286 287 L C 0.654 177.354 176.870 -0.283 0.000 1.061 287 L CA -0.466 54.002 54.840 -0.621 0.000 0.807 287 L CB 1.016 42.777 42.059 -0.498 0.000 1.177 287 L HN 0.264 nan 8.230 nan 0.000 0.429 288 V N 0.000 119.795 119.914 -0.198 0.000 2.409 288 V HA 0.000 4.120 4.120 0.000 0.000 0.244 288 V CA 0.000 62.232 62.300 -0.113 0.000 1.235 288 V CB 0.000 31.776 31.823 -0.078 0.000 1.184 288 V HN 0.000 nan 8.190 nan 0.000 0.556