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 2fik_1_A DATA FIRST_RESID 8 DATA SEQUENCE YTFRCLQMSS FANRSWSRTD SVVWLGDLQT HRWSNDSATI SFTKPWSQGK DATA SEQUENCE LSNQQWEKLQ HMFQVYRVSF TRDIQELVKX XXXXXXYPIE IQLSAGCEMY DATA SEQUENCE PGNASESFLH VAFQGKYVVR FWGTSWQTVP GAPSWLDLPI KVLNADQGTS DATA SEQUENCE ATVQMLLNDT CPLFVRGLLE AGKSDLEKQE KPVAWLSSVP SSAHGHRQLV DATA SEQUENCE cHVSGFYPKP VWVMWMRGDQ EQQGTHRGDF LPNADETWYL QATLDVEAGE DATA SEQUENCE EAGLAcRVKH SSLGGQDIIL YW 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 8 Y HA 0.000 nan 4.550 nan 0.000 0.201 8 Y C 0.000 175.938 175.900 0.063 0.000 1.272 8 Y CA 0.000 58.130 58.100 0.049 0.000 1.940 8 Y CB 0.000 38.502 38.460 0.070 0.000 1.050 9 T N 4.281 118.992 114.554 0.260 0.000 2.749 9 T HA 0.382 4.732 4.350 -0.000 0.000 0.287 9 T C -1.078 173.856 174.700 0.390 0.000 0.970 9 T CA -0.352 61.911 62.100 0.271 0.000 0.980 9 T CB 0.239 69.213 68.868 0.177 0.000 0.924 9 T HN 0.366 nan 8.240 nan 0.000 0.456 10 F N 5.771 125.876 119.950 0.258 0.000 2.405 10 F HA 0.554 5.081 4.527 0.000 0.000 0.355 10 F C 0.342 176.315 175.800 0.290 0.000 1.121 10 F CA -1.182 56.971 58.000 0.256 0.000 1.112 10 F CB 0.581 39.690 39.000 0.181 0.000 1.126 10 F HN 0.484 nan 8.300 nan 0.000 0.481 11 R N 5.469 125.815 120.500 -0.257 0.000 2.575 11 R HA 0.702 5.042 4.340 -0.000 0.000 0.293 11 R C -1.985 174.126 176.300 -0.314 0.000 0.983 11 R CA -0.752 55.266 56.100 -0.137 0.000 0.887 11 R CB 0.670 31.113 30.300 0.239 0.000 1.184 11 R HN 0.628 nan 8.270 nan 0.000 0.445 12 C N 4.453 123.598 119.300 -0.259 0.000 2.281 12 C HA 0.504 4.964 4.460 -0.000 0.000 0.325 12 C C 0.011 175.003 174.990 0.003 0.000 1.282 12 C CA -0.723 58.196 59.018 -0.165 0.000 1.640 12 C CB -0.031 27.599 27.740 -0.184 0.000 2.288 12 C HN 0.639 nan 8.230 nan 0.000 0.507 13 L N 3.815 125.077 121.223 0.065 0.000 2.305 13 L HA 0.547 4.887 4.340 -0.000 0.000 0.284 13 L C -0.076 176.848 176.870 0.089 0.000 1.013 13 L CA -0.120 54.793 54.840 0.122 0.000 0.819 13 L CB 1.080 43.260 42.059 0.201 0.000 1.227 13 L HN 0.688 nan 8.230 nan 0.000 0.417 14 Q N 3.967 123.818 119.800 0.084 0.000 2.282 14 Q HA 0.652 4.992 4.340 -0.000 0.000 0.260 14 Q C -1.376 174.665 176.000 0.068 0.000 0.964 14 Q CA -0.705 55.125 55.803 0.045 0.000 0.880 14 Q CB 2.039 30.781 28.738 0.006 0.000 1.286 14 Q HN 0.632 nan 8.270 nan 0.000 0.445 15 M N 2.412 122.039 119.600 0.044 0.000 2.093 15 M HA 0.353 4.833 4.480 -0.000 0.000 0.297 15 M C -1.307 175.021 176.300 0.047 0.000 0.938 15 M CA -0.300 55.047 55.300 0.077 0.000 0.920 15 M CB 2.314 34.959 32.600 0.076 0.000 1.517 15 M HN 0.408 nan 8.290 nan 0.000 0.427 16 S N 1.241 117.015 115.700 0.125 0.000 2.502 16 S HA 0.675 5.145 4.470 -0.000 0.000 0.304 16 S C -0.643 174.041 174.600 0.139 0.000 1.097 16 S CA -0.777 57.473 58.200 0.083 0.000 1.045 16 S CB 1.848 65.226 63.200 0.296 0.000 1.019 16 S HN 0.580 nan 8.310 nan 0.000 0.481 17 S N 2.308 117.974 115.700 -0.057 0.000 2.502 17 S HA 0.648 5.118 4.470 -0.000 0.000 0.304 17 S C -1.269 173.320 174.600 -0.019 0.000 1.097 17 S CA -0.569 57.715 58.200 0.140 0.000 1.045 17 S CB 0.360 63.713 63.200 0.254 0.000 1.019 17 S HN 0.536 nan 8.310 nan 0.000 0.481 18 F N 1.595 121.738 119.950 0.321 0.000 2.382 18 F HA 0.518 5.045 4.527 0.000 0.000 0.361 18 F C 0.901 176.910 175.800 0.349 0.000 1.109 18 F CA -0.910 57.300 58.000 0.350 0.000 1.031 18 F CB 1.175 40.406 39.000 0.385 0.000 1.234 18 F HN 0.727 nan 8.300 nan 0.000 0.445 19 A N 3.014 126.084 122.820 0.417 0.000 1.984 19 A HA 0.196 4.516 4.320 -0.000 0.000 0.214 19 A C 0.504 177.935 177.584 -0.255 0.000 1.173 19 A CA 1.255 53.348 52.037 0.094 0.000 0.673 19 A CB -0.377 18.529 19.000 -0.157 0.000 0.830 19 A HN 0.828 nan 8.150 nan 0.000 0.453 20 N N -3.811 114.585 118.700 -0.506 0.000 3.395 20 N HA 0.181 4.921 4.740 -0.000 0.000 0.293 20 N C -0.022 175.078 175.510 -0.683 0.000 1.489 20 N CA -0.594 51.799 53.050 -1.095 0.000 0.871 20 N CB 0.032 38.251 38.487 -0.446 0.000 1.649 20 N HN -0.110 nan 8.380 nan 0.000 0.501 21 R N -0.672 119.604 120.500 -0.372 0.000 2.159 21 R HA -0.041 4.299 4.340 -0.000 0.000 0.237 21 R C 0.294 176.602 176.300 0.013 0.000 1.131 21 R CA 1.965 58.048 56.100 -0.029 0.000 0.982 21 R CB -0.297 30.023 30.300 0.034 0.000 0.868 21 R HN 0.721 nan 8.270 nan 0.000 0.453 22 S N -2.879 112.821 115.700 -0.000 0.000 2.730 22 S HA 0.097 4.567 4.470 -0.000 0.000 0.244 22 S C -0.598 174.056 174.600 0.091 0.000 1.022 22 S CA -0.870 57.352 58.200 0.037 0.000 1.014 22 S CB 0.163 63.380 63.200 0.029 0.000 0.963 22 S HN 0.348 nan 8.310 nan 0.000 0.540 23 W N 2.723 123.964 121.300 -0.098 0.000 2.647 23 W HA 0.666 5.327 4.660 0.000 0.000 0.328 23 W C -0.806 175.649 176.519 -0.106 0.000 1.018 23 W CA -0.169 57.118 57.345 -0.097 0.000 1.245 23 W CB 1.722 31.122 29.460 -0.100 0.000 1.356 23 W HN 0.238 nan 8.180 nan 0.000 0.443 24 S N 5.156 120.541 115.700 -0.524 0.000 2.570 24 S HA 0.854 5.324 4.470 -0.000 0.000 0.270 24 S C -1.226 172.761 174.600 -1.021 0.000 1.149 24 S CA -1.237 56.565 58.200 -0.663 0.000 0.837 24 S CB 2.272 65.126 63.200 -0.576 0.000 1.124 24 S HN 0.730 nan 8.310 nan 0.000 0.465 25 R N -0.363 119.615 120.500 -0.870 0.000 2.668 25 R HA 0.763 5.103 4.340 -0.000 0.000 0.272 25 R C -1.457 174.579 176.300 -0.440 0.000 1.019 25 R CA -0.690 55.025 56.100 -0.642 0.000 0.894 25 R CB 1.529 31.450 30.300 -0.632 0.000 1.228 25 R HN 0.797 nan 8.270 nan 0.000 0.460 26 T N -0.054 114.274 114.554 -0.376 0.000 2.848 26 T HA 0.432 4.782 4.350 -0.000 0.000 0.285 26 T C -1.170 173.347 174.700 -0.306 0.000 0.995 26 T CA -0.664 61.261 62.100 -0.292 0.000 0.970 26 T CB 1.463 70.177 68.868 -0.257 0.000 0.976 26 T HN 0.616 nan 8.240 nan 0.000 0.441 27 D N 2.820 123.105 120.400 -0.192 0.000 2.457 27 D HA 0.620 5.260 4.640 -0.000 0.000 0.240 27 D C -0.716 175.543 176.300 -0.068 0.000 1.041 27 D CA -0.524 53.388 54.000 -0.146 0.000 0.861 27 D CB 2.381 43.137 40.800 -0.072 0.000 1.394 27 D HN 0.559 nan 8.370 nan 0.000 0.473 28 S N 0.098 115.791 115.700 -0.011 0.000 2.570 28 S HA 0.694 5.164 4.470 -0.000 0.000 0.286 28 S C -0.469 174.175 174.600 0.073 0.000 1.099 28 S CA -0.769 57.464 58.200 0.056 0.000 0.913 28 S CB 2.199 65.466 63.200 0.111 0.000 1.085 28 S HN 0.394 nan 8.310 nan 0.000 0.480 29 V N -0.672 119.270 119.914 0.046 0.000 3.078 29 V HA 0.965 5.085 4.120 -0.000 0.000 0.311 29 V C -1.226 174.814 176.094 -0.090 0.000 1.138 29 V CA -0.744 61.530 62.300 -0.044 0.000 1.007 29 V CB 1.683 33.467 31.823 -0.065 0.000 1.045 29 V HN 0.591 nan 8.190 nan 0.000 0.432 30 V N 2.002 121.784 119.914 -0.220 0.000 2.638 30 V HA 0.613 4.733 4.120 -0.000 0.000 0.306 30 V C -1.333 174.577 176.094 -0.308 0.000 1.052 30 V CA -0.306 61.892 62.300 -0.169 0.000 0.885 30 V CB 1.925 33.761 31.823 0.021 0.000 0.999 30 V HN 1.010 nan 8.190 nan 0.000 0.424 31 W N 4.427 125.705 121.300 -0.038 0.000 2.702 31 W HA 0.750 5.410 4.660 -0.000 0.000 0.331 31 W C -0.794 175.802 176.519 0.129 0.000 1.049 31 W CA -0.679 56.705 57.345 0.064 0.000 1.230 31 W CB 1.900 31.404 29.460 0.073 0.000 1.408 31 W HN 0.385 nan 8.180 nan 0.000 0.492 32 L N 4.130 125.661 121.223 0.514 0.000 2.318 32 L HA 0.759 5.099 4.340 -0.000 0.000 0.277 32 L C 0.671 177.848 176.870 0.512 0.000 1.008 32 L CA 0.662 55.824 54.840 0.536 0.000 0.846 32 L CB 0.328 42.698 42.059 0.518 0.000 1.220 32 L HN 0.792 nan 8.230 nan 0.000 0.423 33 G N 4.561 113.651 108.800 0.483 0.000 2.629 33 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.313 33 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.313 33 G C 0.327 175.464 174.900 0.397 0.000 1.217 33 G CA 0.679 46.032 45.100 0.421 0.000 0.994 33 G HN 0.940 nan 8.290 nan 0.000 0.549 34 D N 0.625 121.290 120.400 0.443 0.000 2.368 34 D HA 0.336 4.976 4.640 -0.000 0.000 0.218 34 D C 0.830 177.483 176.300 0.587 0.000 1.112 34 D CA -0.004 54.258 54.000 0.436 0.000 0.834 34 D CB -0.100 41.023 40.800 0.537 0.000 0.953 34 D HN 0.525 nan 8.370 nan 0.000 0.505 35 L N 0.821 122.415 121.223 0.618 0.000 2.313 35 L HA 0.338 4.678 4.340 -0.000 0.000 0.283 35 L C 0.210 177.276 176.870 0.327 0.000 1.013 35 L CA -0.892 54.224 54.840 0.459 0.000 0.816 35 L CB 2.144 44.429 42.059 0.378 0.000 1.236 35 L HN -0.043 nan 8.230 nan 0.000 0.419 36 Q N 1.185 120.940 119.800 -0.075 0.000 2.297 36 Q HA 0.093 4.433 4.340 -0.000 0.000 0.267 36 Q C 0.651 176.402 176.000 -0.415 0.000 1.006 36 Q CA 0.067 55.482 55.803 -0.647 0.000 0.896 36 Q CB 1.156 29.324 28.738 -0.950 0.000 1.186 36 Q HN 0.811 nan 8.270 nan 0.000 0.392 37 T N -0.096 114.241 114.554 -0.363 0.000 2.990 37 T HA 0.180 4.530 4.350 -0.000 0.000 0.249 37 T C -0.161 174.128 174.700 -0.684 0.000 1.039 37 T CA 0.159 61.955 62.100 -0.506 0.000 1.036 37 T CB 0.184 68.913 68.868 -0.232 0.000 0.994 37 T HN 0.675 nan 8.240 nan 0.000 0.489 38 H N 0.684 119.636 119.070 -0.197 0.000 3.016 38 H HA 0.734 5.290 4.556 -0.000 0.000 0.362 38 H C -0.706 174.559 175.328 -0.105 0.000 1.233 38 H CA -1.196 54.810 56.048 -0.070 0.000 1.124 38 H CB 1.489 31.290 29.762 0.064 0.000 1.850 38 H HN 0.359 nan 8.280 nan 0.000 0.549 39 R N 0.598 121.162 120.500 0.107 0.000 2.795 39 R HA 0.573 4.912 4.340 -0.000 0.000 0.275 39 R C -1.830 174.609 176.300 0.230 0.000 0.981 39 R CA -1.052 55.105 56.100 0.095 0.000 0.917 39 R CB 2.099 32.413 30.300 0.023 0.000 1.202 39 R HN 0.569 nan 8.270 nan 0.000 0.469 40 W N 2.905 124.194 121.300 -0.018 0.000 2.604 40 W HA 0.342 5.002 4.660 0.000 0.000 0.302 40 W C -0.920 175.578 176.519 -0.035 0.000 1.013 40 W CA -1.024 56.308 57.345 -0.021 0.000 1.338 40 W CB 1.595 31.030 29.460 -0.042 0.000 1.233 40 W HN 0.735 nan 8.180 nan 0.000 0.390 41 S N 3.190 118.959 115.700 0.115 0.000 2.576 41 S HA -0.004 4.466 4.470 -0.000 0.000 0.276 41 S C 1.349 175.796 174.600 -0.254 0.000 1.339 41 S CA 0.505 58.667 58.200 -0.062 0.000 1.039 41 S CB 0.853 64.050 63.200 -0.005 0.000 0.902 41 S HN 0.590 nan 8.310 nan 0.000 0.516 42 N N 2.441 120.973 118.700 -0.280 0.000 2.137 42 N HA -0.158 4.582 4.740 -0.000 0.000 0.190 42 N C 0.868 176.239 175.510 -0.232 0.000 1.017 42 N CA 2.219 55.069 53.050 -0.333 0.000 0.859 42 N CB -0.131 38.171 38.487 -0.307 0.000 1.002 42 N HN 0.689 nan 8.380 nan 0.000 0.428 43 D N -1.127 119.189 120.400 -0.140 0.000 2.348 43 D HA -0.043 4.597 4.640 -0.000 0.000 0.216 43 D C 0.164 176.450 176.300 -0.022 0.000 0.970 43 D CA 0.467 54.420 54.000 -0.078 0.000 0.889 43 D CB -0.085 40.685 40.800 -0.049 0.000 0.912 43 D HN 0.119 nan 8.370 nan 0.000 0.524 44 S N -0.413 115.297 115.700 0.016 0.000 2.451 44 S HA 0.491 4.961 4.470 -0.000 0.000 0.301 44 S C 0.925 175.675 174.600 0.250 0.000 1.116 44 S CA -0.526 57.752 58.200 0.129 0.000 1.093 44 S CB 1.775 65.094 63.200 0.197 0.000 1.017 44 S HN 0.074 nan 8.310 nan 0.000 0.482 45 A N 3.644 126.585 122.820 0.202 0.000 2.015 45 A HA 0.157 4.477 4.320 -0.000 0.000 0.219 45 A C 1.192 178.980 177.584 0.340 0.000 1.163 45 A CA 1.519 53.703 52.037 0.245 0.000 0.646 45 A CB -0.775 18.301 19.000 0.127 0.000 0.806 45 A HN 0.971 nan 8.150 nan 0.000 0.448 46 T N -2.983 111.713 114.554 0.238 0.000 2.908 46 T HA 0.671 5.021 4.350 -0.000 0.000 0.290 46 T C -0.308 174.267 174.700 -0.209 0.000 1.034 46 T CA -0.751 61.334 62.100 -0.025 0.000 1.010 46 T CB 1.289 70.140 68.868 -0.029 0.000 1.068 46 T HN 0.120 nan 8.240 nan 0.000 0.481 47 I N 2.450 122.693 120.570 -0.544 0.000 2.556 47 I HA 0.235 4.405 4.170 -0.000 0.000 0.284 47 I C 0.531 176.617 176.117 -0.051 0.000 1.114 47 I CA -0.142 60.903 61.300 -0.425 0.000 1.418 47 I CB 0.895 38.692 38.000 -0.338 0.000 1.394 47 I HN 0.663 nan 8.210 nan 0.000 0.552 48 S N 5.948 121.682 115.700 0.056 0.000 2.525 48 S HA 0.549 5.019 4.470 -0.000 0.000 0.290 48 S C -0.453 174.241 174.600 0.158 0.000 1.152 48 S CA -0.627 57.579 58.200 0.011 0.000 1.072 48 S CB 0.956 64.170 63.200 0.023 0.000 1.027 48 S HN 0.184 nan 8.310 nan 0.000 0.500 49 F N 2.162 122.033 119.950 -0.132 0.000 2.384 49 F HA 0.350 4.877 4.527 -0.000 0.000 0.338 49 F C 1.812 177.426 175.800 -0.309 0.000 1.103 49 F CA -1.433 56.382 58.000 -0.308 0.000 1.157 49 F CB 0.820 39.609 39.000 -0.351 0.000 1.167 49 F HN 0.689 nan 8.300 nan 0.000 0.529 50 T N -1.457 112.947 114.554 -0.250 0.000 3.084 50 T HA 0.306 4.656 4.350 -0.000 0.000 0.270 50 T C 0.303 174.762 174.700 -0.401 0.000 1.008 50 T CA -0.221 61.714 62.100 -0.276 0.000 0.900 50 T CB 0.132 68.832 68.868 -0.281 0.000 1.084 50 T HN 0.214 nan 8.240 nan 0.000 0.538 51 K N 1.105 121.158 120.400 -0.578 0.000 2.482 51 K HA 0.455 4.775 4.320 -0.000 0.000 0.257 51 K C -2.512 173.725 176.600 -0.606 0.000 0.969 51 K CA -2.270 53.552 56.287 -0.774 0.000 0.842 51 K CB 1.856 33.375 32.500 -1.634 0.000 1.359 51 K HN -0.313 nan 8.250 nan 0.000 0.441 52 P HA -0.084 nan 4.420 nan 0.000 0.220 52 P C 0.494 177.685 177.300 -0.181 0.000 1.148 52 P CA 1.184 64.181 63.100 -0.171 0.000 0.803 52 P CB 0.123 31.833 31.700 0.016 0.000 0.782 53 W N -2.528 118.625 121.300 -0.245 0.000 3.102 53 W HA 0.431 5.091 4.660 0.000 0.000 0.401 53 W C 0.438 176.697 176.519 -0.433 0.000 1.070 53 W CA -0.246 56.926 57.345 -0.287 0.000 1.921 53 W CB -1.317 28.010 29.460 -0.222 0.000 1.118 53 W HN -0.175 nan 8.180 nan 0.000 0.647 54 S N 1.235 116.436 115.700 -0.832 0.000 2.440 54 S HA -0.265 4.205 4.470 -0.000 0.000 0.238 54 S C 1.720 175.753 174.600 -0.945 0.000 1.010 54 S CA 1.520 59.052 58.200 -1.113 0.000 0.972 54 S CB -0.202 62.022 63.200 -1.627 0.000 0.774 54 S HN 0.405 nan 8.310 nan 0.000 0.501 55 Q N 0.413 119.618 119.800 -0.993 0.000 2.451 55 Q HA 0.191 4.531 4.340 -0.000 0.000 0.206 55 Q C 1.361 177.358 176.000 -0.004 0.000 0.947 55 Q CA 0.396 55.862 55.803 -0.562 0.000 0.937 55 Q CB -0.190 28.280 28.738 -0.447 0.000 1.025 55 Q HN 0.523 nan 8.270 nan 0.000 0.511 56 G N 1.448 110.192 108.800 -0.094 0.000 2.611 56 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.301 56 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.301 56 G C 0.289 175.176 174.900 -0.023 0.000 1.233 56 G CA 0.395 45.434 45.100 -0.101 0.000 0.993 56 G HN 0.317 nan 8.290 nan 0.000 0.553 57 K N 0.414 120.816 120.400 0.003 0.000 2.387 57 K HA 0.322 4.642 4.320 -0.000 0.000 0.198 57 K C 1.103 177.758 176.600 0.091 0.000 1.022 57 K CA -0.113 56.190 56.287 0.028 0.000 1.128 57 K CB 0.070 32.569 32.500 -0.002 0.000 0.853 57 K HN 0.435 nan 8.250 nan 0.000 0.523 58 L N 2.545 123.874 121.223 0.176 0.000 2.416 58 L HA 0.024 4.364 4.340 -0.000 0.000 0.272 58 L C 1.072 178.046 176.870 0.172 0.000 1.161 58 L CA -0.126 54.843 54.840 0.214 0.000 0.845 58 L CB 0.550 42.823 42.059 0.356 0.000 1.119 58 L HN 0.089 nan 8.230 nan 0.000 0.464 59 S N 1.671 117.458 115.700 0.144 0.000 2.600 59 S HA 0.089 4.559 4.470 -0.000 0.000 0.265 59 S C 0.934 175.639 174.600 0.174 0.000 1.325 59 S CA -0.703 57.571 58.200 0.122 0.000 1.002 59 S CB 0.758 64.010 63.200 0.086 0.000 0.921 59 S HN 0.598 nan 8.310 nan 0.000 0.554 60 N N 1.701 120.489 118.700 0.146 0.000 2.149 60 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 60 N C 1.973 177.589 175.510 0.178 0.000 1.019 60 N CA 1.960 55.118 53.050 0.181 0.000 0.857 60 N CB -0.727 37.831 38.487 0.118 0.000 0.997 60 N HN 0.894 nan 8.380 nan 0.000 0.426 61 Q N 0.468 120.335 119.800 0.112 0.000 2.046 61 Q HA -0.100 4.240 4.340 -0.000 0.000 0.200 61 Q C 1.843 177.883 176.000 0.066 0.000 0.975 61 Q CA 1.286 57.131 55.803 0.069 0.000 0.836 61 Q CB -0.497 28.264 28.738 0.039 0.000 0.896 61 Q HN 0.352 nan 8.270 nan 0.000 0.428 62 Q N -0.255 119.601 119.800 0.094 0.000 2.084 62 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 62 Q C 1.809 177.860 176.000 0.085 0.000 0.978 62 Q CA 1.334 57.182 55.803 0.075 0.000 0.844 62 Q CB -0.331 28.466 28.738 0.099 0.000 0.898 62 Q HN 0.576 nan 8.270 nan 0.000 0.426 63 W N 1.639 122.953 121.300 0.022 0.000 2.355 63 W HA -0.189 4.471 4.660 -0.000 0.000 0.309 63 W C 1.331 177.857 176.519 0.012 0.000 1.206 63 W CA 1.228 58.592 57.345 0.031 0.000 1.284 63 W CB 0.155 29.686 29.460 0.118 0.000 1.145 63 W HN 0.141 nan 8.180 nan 0.000 0.502 64 E N 0.608 120.811 120.200 0.005 0.000 2.110 64 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 64 E C 1.911 178.424 176.600 -0.144 0.000 0.988 64 E CA 1.414 57.766 56.400 -0.080 0.000 0.804 64 E CB -0.530 29.183 29.700 0.023 0.000 0.745 64 E HN 0.367 nan 8.360 nan 0.000 0.458 65 K N 0.332 120.659 120.400 -0.121 0.000 2.025 65 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 65 K C 2.192 178.680 176.600 -0.187 0.000 1.049 65 K CA 0.583 56.803 56.287 -0.113 0.000 0.933 65 K CB -0.119 32.327 32.500 -0.090 0.000 0.714 65 K HN -0.026 nan 8.250 nan 0.000 0.438 66 L N 2.014 123.053 121.223 -0.306 0.000 1.989 66 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 66 L C 2.490 179.076 176.870 -0.473 0.000 1.071 66 L CA 1.896 56.469 54.840 -0.445 0.000 0.749 66 L CB -0.868 40.879 42.059 -0.520 0.000 0.890 66 L HN 0.342 nan 8.230 nan 0.000 0.431 67 Q N -1.689 117.745 119.800 -0.611 0.000 2.096 67 Q HA -0.297 4.043 4.340 -0.000 0.000 0.204 67 Q C 2.367 178.240 176.000 -0.211 0.000 0.982 67 Q CA 1.885 57.401 55.803 -0.478 0.000 0.850 67 Q CB -0.425 27.955 28.738 -0.598 0.000 0.901 67 Q HN 0.714 nan 8.270 nan 0.000 0.422 68 H N 0.245 119.180 119.070 -0.226 0.000 2.352 68 H HA -0.178 4.378 4.556 -0.000 0.000 0.299 68 H C 2.098 177.370 175.328 -0.094 0.000 1.097 68 H CA 1.817 57.793 56.048 -0.119 0.000 1.311 68 H CB -0.190 29.511 29.762 -0.103 0.000 1.377 68 H HN 0.434 nan 8.280 nan 0.000 0.504 69 M N -0.042 119.432 119.600 -0.210 0.000 2.080 69 M HA -0.215 4.265 4.480 -0.000 0.000 0.260 69 M C 1.774 177.940 176.300 -0.224 0.000 1.068 69 M CA 1.819 56.947 55.300 -0.285 0.000 1.109 69 M CB -0.312 32.036 32.600 -0.420 0.000 1.342 69 M HN 0.126 nan 8.290 nan 0.000 0.405 70 F N 0.861 120.751 119.950 -0.100 0.000 2.234 70 F HA -0.168 4.360 4.527 0.000 0.000 0.299 70 F C 2.527 178.496 175.800 0.280 0.000 1.087 70 F CA 1.431 59.478 58.000 0.078 0.000 1.340 70 F CB -0.847 38.081 39.000 -0.120 0.000 1.031 70 F HN 0.295 nan 8.300 nan 0.000 0.500 71 Q N -0.393 119.567 119.800 0.268 0.000 2.084 71 Q HA -0.143 4.196 4.340 -0.000 0.000 0.202 71 Q C 2.408 178.488 176.000 0.133 0.000 0.978 71 Q CA 1.592 57.572 55.803 0.295 0.000 0.844 71 Q CB -0.391 28.407 28.738 0.100 0.000 0.898 71 Q HN 0.253 nan 8.270 nan 0.000 0.426 72 V N 0.138 120.029 119.914 -0.037 0.000 2.307 72 V HA -0.273 3.847 4.120 -0.000 0.000 0.245 72 V C 1.932 178.077 176.094 0.085 0.000 1.045 72 V CA 1.906 64.181 62.300 -0.042 0.000 1.024 72 V CB -0.682 31.049 31.823 -0.153 0.000 0.651 72 V HN 0.415 nan 8.190 nan 0.000 0.449 73 Y N 1.602 121.940 120.300 0.065 0.000 2.114 73 Y HA -0.313 4.237 4.550 -0.000 0.000 0.282 73 Y C 2.755 178.770 175.900 0.192 0.000 1.165 73 Y CA 2.412 60.598 58.100 0.143 0.000 1.148 73 Y CB -0.403 38.161 38.460 0.174 0.000 0.972 73 Y HN 0.099 nan 8.280 nan 0.000 0.504 74 R N -0.191 120.274 120.500 -0.058 0.000 2.091 74 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 74 R C 2.001 178.206 176.300 -0.158 0.000 1.136 74 R CA 1.964 57.918 56.100 -0.243 0.000 0.959 74 R CB -0.513 29.665 30.300 -0.204 0.000 0.856 74 R HN 0.379 nan 8.270 nan 0.000 0.437 75 V N 0.151 120.026 119.914 -0.065 0.000 2.307 75 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 75 V C 2.270 178.351 176.094 -0.022 0.000 1.045 75 V CA 2.086 64.364 62.300 -0.038 0.000 1.024 75 V CB -0.356 31.460 31.823 -0.013 0.000 0.651 75 V HN 0.360 nan 8.190 nan 0.000 0.449 76 S N -0.299 115.391 115.700 -0.016 0.000 2.356 76 S HA -0.181 4.289 4.470 -0.000 0.000 0.223 76 S C 1.790 176.387 174.600 -0.005 0.000 1.032 76 S CA 1.825 60.028 58.200 0.006 0.000 1.005 76 S CB -0.487 62.746 63.200 0.056 0.000 0.867 76 S HN 0.588 nan 8.310 nan 0.000 0.449 77 F N 2.591 122.400 119.950 -0.234 0.000 2.095 77 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 77 F C 2.439 178.214 175.800 -0.042 0.000 1.104 77 F CA 1.780 59.653 58.000 -0.212 0.000 1.232 77 F CB -0.869 37.815 39.000 -0.528 0.000 0.987 77 F HN 0.117 nan 8.300 nan 0.000 0.475 78 T N 0.502 115.131 114.554 0.125 0.000 2.708 78 T HA -0.232 4.118 4.350 -0.000 0.000 0.266 78 T C 2.046 176.791 174.700 0.074 0.000 1.037 78 T CA 1.647 63.860 62.100 0.188 0.000 1.146 78 T CB -0.396 68.540 68.868 0.113 0.000 0.865 78 T HN 0.278 nan 8.240 nan 0.000 0.435 79 R N 0.898 121.398 120.500 0.001 0.000 2.081 79 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 79 R C 1.851 178.103 176.300 -0.081 0.000 1.131 79 R CA 1.785 57.872 56.100 -0.022 0.000 0.960 79 R CB -0.227 30.063 30.300 -0.018 0.000 0.856 79 R HN 0.258 nan 8.270 nan 0.000 0.436 80 D N 0.455 120.770 120.400 -0.141 0.000 2.144 80 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 80 D C 1.884 178.019 176.300 -0.276 0.000 0.984 80 D CA 0.958 54.844 54.000 -0.190 0.000 0.834 80 D CB -0.053 40.625 40.800 -0.204 0.000 0.955 80 D HN 0.231 nan 8.370 nan 0.000 0.465 81 I N 1.057 121.377 120.570 -0.418 0.000 2.202 81 I HA -0.181 3.989 4.170 -0.000 0.000 0.242 81 I C 2.284 178.165 176.117 -0.392 0.000 1.091 81 I CA 1.033 62.009 61.300 -0.540 0.000 1.368 81 I CB -1.014 36.404 38.000 -0.970 0.000 1.058 81 I HN 0.064 nan 8.210 nan 0.000 0.410 82 Q N 0.750 120.420 119.800 -0.218 0.000 2.124 82 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 82 Q C 2.100 178.056 176.000 -0.074 0.000 0.977 82 Q CA 1.384 57.152 55.803 -0.057 0.000 0.850 82 Q CB -0.215 28.573 28.738 0.082 0.000 0.901 82 Q HN 0.597 nan 8.270 nan 0.000 0.429 83 E N 0.374 120.517 120.200 -0.095 0.000 2.051 83 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 83 E C 2.005 178.534 176.600 -0.117 0.000 0.991 83 E CA 0.716 57.065 56.400 -0.086 0.000 0.799 83 E CB -0.104 29.549 29.700 -0.078 0.000 0.748 83 E HN 0.092 nan 8.360 nan 0.000 0.449 84 L N 0.755 121.881 121.223 -0.162 0.000 2.042 84 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 84 L C 2.170 178.910 176.870 -0.217 0.000 1.076 84 L CA 1.413 56.150 54.840 -0.173 0.000 0.749 84 L CB -0.452 41.496 42.059 -0.185 0.000 0.893 84 L HN -0.034 nan 8.230 nan 0.000 0.432 85 V N -0.363 119.396 119.914 -0.257 0.000 2.660 85 V HA -0.252 3.868 4.120 -0.000 0.000 0.257 85 V C 1.616 177.562 176.094 -0.246 0.000 1.088 85 V CA 1.379 63.486 62.300 -0.322 0.000 1.106 85 V CB -1.011 30.575 31.823 -0.396 0.000 0.686 85 V HN 0.443 nan 8.190 nan 0.000 0.481 95 P HA -0.042 nan 4.420 nan 0.000 0.258 95 P C -1.056 176.378 177.300 0.224 0.000 1.128 95 P CA 1.398 64.653 63.100 0.258 0.000 0.760 95 P CB 0.018 31.792 31.700 0.123 0.000 0.715 96 I N 3.281 124.056 120.570 0.342 0.000 2.406 96 I HA 0.194 4.364 4.170 -0.000 0.000 0.290 96 I C 0.450 176.778 176.117 0.352 0.000 0.999 96 I CA -0.673 60.790 61.300 0.272 0.000 1.124 96 I CB 1.886 40.053 38.000 0.279 0.000 1.289 96 I HN 0.173 nan 8.210 nan 0.000 0.441 97 E N 7.494 127.810 120.200 0.192 0.000 2.158 97 E HA 0.576 4.926 4.350 -0.000 0.000 0.271 97 E C -0.845 175.921 176.600 0.276 0.000 0.911 97 E CA -0.488 56.053 56.400 0.234 0.000 0.767 97 E CB 2.714 32.489 29.700 0.124 0.000 1.120 97 E HN 0.431 nan 8.360 nan 0.000 0.405 98 I N 2.056 122.869 120.570 0.405 0.000 2.509 98 I HA 0.270 4.440 4.170 -0.000 0.000 0.293 98 I C -0.126 176.200 176.117 0.349 0.000 1.020 98 I CA -0.645 60.921 61.300 0.443 0.000 1.088 98 I CB 1.745 40.114 38.000 0.614 0.000 1.267 98 I HN 0.181 nan 8.210 nan 0.000 0.430 99 Q N 4.902 124.887 119.800 0.309 0.000 2.394 99 Q HA 0.692 5.032 4.340 -0.000 0.000 0.273 99 Q C -1.633 174.526 176.000 0.266 0.000 1.089 99 Q CA -0.884 55.064 55.803 0.242 0.000 0.812 99 Q CB 3.345 32.207 28.738 0.207 0.000 1.353 99 Q HN 0.340 nan 8.270 nan 0.000 0.438 100 L N 0.827 122.182 121.223 0.220 0.000 2.408 100 L HA 0.706 5.046 4.340 -0.000 0.000 0.268 100 L C -1.472 175.528 176.870 0.218 0.000 0.986 100 L CA -0.225 54.764 54.840 0.248 0.000 0.820 100 L CB 2.279 44.462 42.059 0.207 0.000 1.303 100 L HN 0.601 nan 8.230 nan 0.000 0.411 101 S N 3.736 119.595 115.700 0.265 0.000 2.605 101 S HA 0.972 5.442 4.470 -0.000 0.000 0.308 101 S C -1.028 173.740 174.600 0.281 0.000 1.113 101 S CA 0.126 58.488 58.200 0.270 0.000 1.049 101 S CB 0.963 64.335 63.200 0.287 0.000 1.001 101 S HN 1.189 nan 8.310 nan 0.000 0.480 102 A N 3.183 126.048 122.820 0.076 0.000 2.515 102 A HA 1.032 5.352 4.320 -0.000 0.000 0.298 102 A C 0.269 177.503 177.584 -0.582 0.000 1.059 102 A CA -0.133 51.729 52.037 -0.291 0.000 0.698 102 A CB 1.266 20.198 19.000 -0.113 0.000 1.289 102 A HN 1.743 nan 8.150 nan 0.000 0.404 103 G N -1.104 107.045 108.800 -1.084 0.000 2.441 103 G HA2 0.563 4.523 3.960 -0.000 0.000 0.222 103 G HA3 0.563 4.523 3.960 -0.000 0.000 0.222 103 G C -0.536 174.002 174.900 -0.602 0.000 1.254 103 G CA 0.581 45.353 45.100 -0.547 0.000 0.959 103 G HN 2.590 nan 8.290 nan 0.000 0.474 104 C N -1.365 117.950 119.300 0.025 0.000 3.170 104 C HA 0.862 5.322 4.460 -0.000 0.000 0.319 104 C C -0.802 174.383 174.990 0.325 0.000 1.260 104 C CA -0.802 58.339 59.018 0.206 0.000 1.374 104 C CB 1.179 28.990 27.740 0.118 0.000 1.739 104 C HN 1.192 nan 8.230 nan 0.000 0.479 105 E N 2.365 122.682 120.200 0.195 0.000 2.156 105 E HA 0.650 5.000 4.350 -0.000 0.000 0.279 105 E C -0.545 175.810 176.600 -0.409 0.000 0.965 105 E CA -0.265 56.086 56.400 -0.083 0.000 0.789 105 E CB 0.816 30.428 29.700 -0.146 0.000 1.098 105 E HN 0.655 nan 8.360 nan 0.000 0.397 106 M N 4.431 123.853 119.600 -0.295 0.000 2.157 106 M HA 0.313 4.793 4.480 -0.000 0.000 0.354 106 M C -1.056 175.057 176.300 -0.311 0.000 1.170 106 M CA -0.521 54.646 55.300 -0.222 0.000 1.060 106 M CB 0.397 33.005 32.600 0.014 0.000 1.615 106 M HN 0.502 nan 8.290 nan 0.000 0.460 107 Y N 2.268 122.626 120.300 0.098 0.000 2.602 107 Y HA 0.591 5.141 4.550 0.000 0.000 0.330 107 Y C -1.719 174.216 175.900 0.060 0.000 1.114 107 Y CA -2.347 55.794 58.100 0.069 0.000 1.182 107 Y CB -0.031 38.464 38.460 0.058 0.000 1.305 107 Y HN 0.494 nan 8.280 nan 0.000 0.502 108 P HA 0.147 nan 4.420 nan 0.000 0.265 108 P C 0.350 177.716 177.300 0.111 0.000 1.193 108 P CA 0.736 63.912 63.100 0.126 0.000 0.765 108 P CB 0.558 32.312 31.700 0.090 0.000 0.823 109 G N 2.680 111.528 108.800 0.080 0.000 2.165 109 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.226 109 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.226 109 G C 0.496 175.436 174.900 0.066 0.000 1.035 109 G CA 0.068 45.204 45.100 0.061 0.000 0.744 109 G HN 0.650 nan 8.290 nan 0.000 0.501 110 N N -2.274 116.468 118.700 0.070 0.000 2.741 110 N HA -0.112 4.628 4.740 -0.000 0.000 0.250 110 N C 0.586 176.147 175.510 0.084 0.000 1.115 110 N CA 2.105 55.191 53.050 0.061 0.000 0.724 110 N CB -1.158 37.352 38.487 0.040 0.000 1.090 110 N HN 1.954 nan 8.380 nan 0.000 0.558 111 A N -0.388 122.513 122.820 0.136 0.000 2.312 111 A HA 0.812 5.132 4.320 -0.000 0.000 0.328 111 A C 0.468 178.213 177.584 0.268 0.000 1.158 111 A CA 0.405 52.557 52.037 0.193 0.000 0.821 111 A CB 1.254 20.378 19.000 0.207 0.000 1.170 111 A HN 0.714 nan 8.150 nan 0.000 0.490 112 S N 0.517 116.372 115.700 0.258 0.000 2.638 112 S HA 0.722 5.192 4.470 -0.000 0.000 0.274 112 S C -1.073 173.700 174.600 0.287 0.000 1.157 112 S CA -0.642 57.683 58.200 0.209 0.000 0.826 112 S CB 1.736 64.982 63.200 0.078 0.000 1.139 112 S HN 0.983 nan 8.310 nan 0.000 0.474 113 E N 0.440 120.803 120.200 0.272 0.000 2.263 113 E HA 0.651 5.001 4.350 -0.000 0.000 0.268 113 E C -1.224 175.540 176.600 0.273 0.000 0.884 113 E CA -0.352 56.233 56.400 0.307 0.000 0.766 113 E CB 2.074 32.048 29.700 0.456 0.000 1.196 113 E HN 0.631 nan 8.360 nan 0.000 0.416 114 S N 3.226 119.054 115.700 0.213 0.000 2.687 114 S HA 0.800 5.270 4.470 -0.000 0.000 0.283 114 S C -0.921 173.838 174.600 0.265 0.000 1.170 114 S CA -0.578 57.707 58.200 0.143 0.000 1.008 114 S CB 0.349 63.564 63.200 0.025 0.000 1.026 114 S HN 0.479 nan 8.310 nan 0.000 0.541 115 F N -0.326 119.687 119.950 0.105 0.000 2.654 115 F HA 0.787 5.314 4.527 -0.000 0.000 0.308 115 F C -1.563 174.252 175.800 0.024 0.000 1.108 115 F CA -1.270 56.768 58.000 0.064 0.000 0.957 115 F CB 1.224 40.142 39.000 -0.137 0.000 1.309 115 F HN 0.455 nan 8.300 nan 0.000 0.446 116 L N 3.652 125.022 121.223 0.246 0.000 2.611 116 L HA 0.502 4.842 4.340 -0.000 0.000 0.263 116 L C -1.877 175.335 176.870 0.569 0.000 0.969 116 L CA -0.284 54.715 54.840 0.265 0.000 0.894 116 L CB 0.956 43.131 42.059 0.194 0.000 1.229 116 L HN 0.826 nan 8.230 nan 0.000 0.416 117 H N 2.946 122.297 119.070 0.468 0.000 2.621 117 H HA 0.740 5.296 4.556 -0.000 0.000 0.360 117 H C -0.843 174.758 175.328 0.455 0.000 1.163 117 H CA -0.762 55.577 56.048 0.485 0.000 1.194 117 H CB 2.529 32.443 29.762 0.254 0.000 1.649 117 H HN 0.255 nan 8.280 nan 0.000 0.532 118 V N 0.985 121.278 119.914 0.633 0.000 2.638 118 V HA 0.709 4.829 4.120 -0.000 0.000 0.306 118 V C -0.132 176.235 176.094 0.456 0.000 1.052 118 V CA -0.929 61.661 62.300 0.484 0.000 0.885 118 V CB 1.725 33.810 31.823 0.438 0.000 0.999 118 V HN 0.974 nan 8.190 nan 0.000 0.424 119 A N 3.981 127.036 122.820 0.392 0.000 2.355 119 A HA 0.921 5.241 4.320 -0.000 0.000 0.324 119 A C -1.380 176.428 177.584 0.375 0.000 1.117 119 A CA -0.461 51.788 52.037 0.354 0.000 0.785 119 A CB 1.382 20.555 19.000 0.289 0.000 1.254 119 A HN 0.903 nan 8.150 nan 0.000 0.453 120 F N 1.916 121.971 119.950 0.176 0.000 2.477 120 F HA 0.448 4.975 4.527 0.000 0.000 0.335 120 F C 0.460 176.354 175.800 0.156 0.000 1.130 120 F CA -0.441 57.662 58.000 0.172 0.000 0.948 120 F CB 1.507 40.596 39.000 0.148 0.000 1.154 120 F HN 0.712 nan 8.300 nan 0.000 0.439 121 Q N 4.277 123.835 119.800 -0.403 0.000 2.475 121 Q HA -0.215 4.125 4.340 -0.000 0.000 0.280 121 Q C 1.063 177.009 176.000 -0.090 0.000 1.234 121 Q CA 1.324 56.916 55.803 -0.351 0.000 0.873 121 Q CB -2.089 26.293 28.738 -0.594 0.000 1.256 121 Q HN 1.657 nan 8.270 nan 0.000 0.475 122 G N -0.405 108.406 108.800 0.018 0.000 2.157 122 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.248 122 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.248 122 G C -0.005 174.955 174.900 0.100 0.000 0.979 122 G CA 0.628 45.768 45.100 0.067 0.000 0.650 122 G HN 0.391 nan 8.290 nan 0.000 0.529 123 K N -0.187 120.291 120.400 0.130 0.000 2.376 123 K HA 0.555 4.875 4.320 -0.000 0.000 0.257 123 K C -0.063 176.681 176.600 0.240 0.000 0.939 123 K CA -1.268 55.116 56.287 0.162 0.000 0.809 123 K CB 0.881 33.459 32.500 0.129 0.000 1.121 123 K HN 0.124 nan 8.250 nan 0.000 0.425 124 Y N 4.765 125.117 120.300 0.086 0.000 2.802 124 Y HA -0.012 4.538 4.550 -0.000 0.000 0.333 124 Y C 0.499 176.432 175.900 0.055 0.000 1.244 124 Y CA 0.688 58.831 58.100 0.072 0.000 1.558 124 Y CB 0.426 38.894 38.460 0.013 0.000 1.233 124 Y HN 0.399 nan 8.280 nan 0.000 0.547 125 V N 3.424 123.282 119.914 -0.092 0.000 3.408 125 V HA 0.410 4.530 4.120 -0.000 0.000 0.263 125 V C -0.252 175.677 176.094 -0.275 0.000 1.503 125 V CA 0.217 62.393 62.300 -0.208 0.000 1.046 125 V CB 0.162 31.946 31.823 -0.065 0.000 0.851 125 V HN 0.376 nan 8.190 nan 0.000 0.435 126 V N 2.492 122.317 119.914 -0.148 0.000 2.932 126 V HA 0.699 4.818 4.120 -0.000 0.000 0.307 126 V C -0.791 175.465 176.094 0.269 0.000 1.147 126 V CA -0.602 61.724 62.300 0.043 0.000 0.951 126 V CB 2.428 34.355 31.823 0.173 0.000 1.031 126 V HN 0.808 nan 8.190 nan 0.000 0.426 127 R N 2.600 123.294 120.500 0.323 0.000 2.836 127 R HA 0.623 4.963 4.340 -0.000 0.000 0.269 127 R C -1.924 174.674 176.300 0.496 0.000 1.010 127 R CA -0.639 55.781 56.100 0.532 0.000 0.930 127 R CB 2.219 32.825 30.300 0.511 0.000 1.218 127 R HN 0.515 nan 8.270 nan 0.000 0.473 128 F N 2.064 122.179 119.950 0.275 0.000 2.410 128 F HA 0.440 4.966 4.527 -0.000 0.000 0.349 128 F C -0.924 175.010 175.800 0.224 0.000 1.117 128 F CA -0.311 57.654 58.000 -0.059 0.000 1.104 128 F CB 1.089 39.766 39.000 -0.540 0.000 1.122 128 F HN 0.492 nan 8.300 nan 0.000 0.483 129 W N 8.385 129.398 121.300 -0.479 0.000 2.756 129 W HA 0.421 5.081 4.660 -0.000 0.000 0.333 129 W C 0.250 176.554 176.519 -0.359 0.000 1.025 129 W CA -0.110 57.104 57.345 -0.218 0.000 1.246 129 W CB 1.593 31.002 29.460 -0.085 0.000 1.358 129 W HN 0.923 nan 8.180 nan 0.000 0.444 130 G N 2.907 111.295 108.800 -0.687 0.000 4.610 130 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.323 130 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.323 130 G C 0.683 175.401 174.900 -0.304 0.000 1.377 130 G CA 1.846 46.627 45.100 -0.532 0.000 1.023 130 G HN 1.051 nan 8.290 nan 0.000 0.755 131 T N -2.100 112.225 114.554 -0.382 0.000 3.058 131 T HA 0.627 4.977 4.350 -0.000 0.000 0.278 131 T C 0.440 174.882 174.700 -0.428 0.000 0.974 131 T CA 1.321 63.286 62.100 -0.225 0.000 0.893 131 T CB 0.241 69.055 68.868 -0.091 0.000 1.138 131 T HN 2.068 nan 8.240 nan 0.000 0.529 132 S N -0.553 114.597 115.700 -0.917 0.000 2.607 132 S HA 0.691 5.160 4.470 -0.000 0.000 0.273 132 S C -1.579 172.510 174.600 -0.852 0.000 1.148 132 S CA -1.286 56.520 58.200 -0.657 0.000 0.833 132 S CB 0.523 63.619 63.200 -0.172 0.000 1.130 132 S HN 0.383 nan 8.310 nan 0.000 0.470 133 W N 1.378 122.594 121.300 -0.140 0.000 2.238 133 W HA 0.531 5.191 4.660 -0.000 0.000 0.321 133 W C 0.548 177.068 176.519 0.002 0.000 1.293 133 W CA -0.071 57.306 57.345 0.055 0.000 1.204 133 W CB 0.468 30.039 29.460 0.186 0.000 1.167 133 W HN 0.598 nan 8.180 nan 0.000 0.553 134 Q N 1.457 121.401 119.800 0.240 0.000 2.359 134 Q HA 0.347 4.687 4.340 -0.000 0.000 0.274 134 Q C -0.198 175.837 176.000 0.058 0.000 1.074 134 Q CA -0.971 54.895 55.803 0.106 0.000 0.810 134 Q CB 2.297 31.066 28.738 0.052 0.000 1.342 134 Q HN 0.490 nan 8.270 nan 0.000 0.427 135 T N -1.781 112.760 114.554 -0.021 0.000 2.904 135 T HA 0.462 4.812 4.350 -0.000 0.000 0.290 135 T C 0.300 174.901 174.700 -0.166 0.000 1.018 135 T CA -0.645 61.389 62.100 -0.112 0.000 1.075 135 T CB 0.778 69.558 68.868 -0.147 0.000 0.986 135 T HN 0.257 nan 8.240 nan 0.000 0.523 136 V N 3.915 123.668 119.914 -0.268 0.000 2.567 136 V HA 0.335 4.455 4.120 -0.000 0.000 0.289 136 V C -1.957 174.011 176.094 -0.210 0.000 1.049 136 V CA -1.938 60.176 62.300 -0.310 0.000 0.969 136 V CB 0.784 32.252 31.823 -0.593 0.000 0.995 136 V HN 0.846 nan 8.190 nan 0.000 0.471 137 P HA 0.247 nan 4.420 nan 0.000 0.266 137 P C 0.897 178.133 177.300 -0.106 0.000 1.195 137 P CA 1.311 64.344 63.100 -0.113 0.000 0.768 137 P CB 0.539 32.188 31.700 -0.085 0.000 0.838 138 G N 1.334 110.079 108.800 -0.091 0.000 2.241 138 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.244 138 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.244 138 G C 0.484 175.326 174.900 -0.096 0.000 0.998 138 G CA 0.009 45.064 45.100 -0.076 0.000 0.621 138 G HN 0.861 nan 8.290 nan 0.000 0.519 139 A N 1.726 124.459 122.820 -0.146 0.000 2.483 139 A HA 0.601 4.921 4.320 -0.000 0.000 0.238 139 A C -0.969 176.469 177.584 -0.243 0.000 1.070 139 A CA -0.068 51.852 52.037 -0.195 0.000 0.770 139 A CB -0.103 18.746 19.000 -0.252 0.000 1.008 139 A HN 0.345 nan 8.150 nan 0.000 0.497 140 P HA 0.039 nan 4.420 nan 0.000 0.267 140 P C 0.884 177.881 177.300 -0.506 0.000 1.200 140 P CA 0.430 63.289 63.100 -0.401 0.000 0.772 140 P CB 0.680 32.035 31.700 -0.574 0.000 0.855 141 S N 2.085 117.632 115.700 -0.255 0.000 2.447 141 S HA -0.113 4.357 4.470 -0.000 0.000 0.233 141 S C 1.666 176.190 174.600 -0.127 0.000 1.006 141 S CA 0.178 58.285 58.200 -0.155 0.000 0.957 141 S CB -1.067 62.109 63.200 -0.041 0.000 0.773 141 S HN 0.731 nan 8.310 nan 0.000 0.507 142 W N 1.250 122.506 121.300 -0.073 0.000 2.525 142 W HA 0.161 4.821 4.660 -0.000 0.000 0.259 142 W C 1.082 177.530 176.519 -0.118 0.000 1.253 142 W CA -0.159 57.131 57.345 -0.091 0.000 1.262 142 W CB -0.726 28.674 29.460 -0.100 0.000 1.122 142 W HN 0.275 nan 8.180 nan 0.000 0.607 143 L N 1.001 121.900 121.223 -0.541 0.000 2.313 143 L HA -0.115 4.225 4.340 -0.000 0.000 0.214 143 L C 2.240 178.991 176.870 -0.197 0.000 1.119 143 L CA 0.911 55.481 54.840 -0.451 0.000 0.809 143 L CB -0.635 41.014 42.059 -0.683 0.000 0.933 143 L HN -0.196 nan 8.230 nan 0.000 0.449 144 D N 0.258 120.568 120.400 -0.150 0.000 2.104 144 D HA -0.214 4.426 4.640 -0.000 0.000 0.194 144 D C 2.034 178.311 176.300 -0.039 0.000 0.994 144 D CA 1.274 55.224 54.000 -0.084 0.000 0.830 144 D CB -0.023 40.739 40.800 -0.063 0.000 0.959 144 D HN 0.152 nan 8.370 nan 0.000 0.452 145 L N 0.855 122.069 121.223 -0.016 0.000 2.044 145 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 145 L C -1.079 175.789 176.870 -0.003 0.000 1.075 145 L CA 1.662 56.502 54.840 0.000 0.000 0.747 145 L CB -1.411 40.656 42.059 0.013 0.000 0.903 145 L HN -0.035 nan 8.230 nan 0.000 0.435 146 P HA -0.167 nan 4.420 nan 0.000 0.218 146 P C 1.968 179.240 177.300 -0.047 0.000 1.148 146 P CA 1.388 64.473 63.100 -0.025 0.000 0.822 146 P CB -0.129 31.560 31.700 -0.017 0.000 0.784 147 I N -0.329 120.213 120.570 -0.046 0.000 2.252 147 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 147 I C 2.272 178.410 176.117 0.035 0.000 1.102 147 I CA 1.382 62.669 61.300 -0.021 0.000 1.385 147 I CB -1.273 36.725 38.000 -0.003 0.000 1.064 147 I HN -0.025 nan 8.210 nan 0.000 0.414 148 K N 1.535 121.950 120.400 0.026 0.000 2.020 148 K HA -0.164 4.156 4.320 -0.000 0.000 0.212 148 K C 2.017 178.645 176.600 0.045 0.000 1.050 148 K CA 1.728 58.039 56.287 0.040 0.000 0.929 148 K CB -0.675 31.839 32.500 0.022 0.000 0.714 148 K HN 0.110 nan 8.250 nan 0.000 0.443 149 V N 0.849 120.777 119.914 0.023 0.000 2.295 149 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 149 V C 2.306 178.420 176.094 0.033 0.000 1.049 149 V CA 1.737 64.050 62.300 0.021 0.000 1.024 149 V CB -0.586 31.238 31.823 0.001 0.000 0.648 149 V HN 0.378 nan 8.190 nan 0.000 0.447 150 L N 0.916 122.145 121.223 0.009 0.000 2.081 150 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 150 L C 2.102 179.068 176.870 0.160 0.000 1.080 150 L CA 1.980 56.824 54.840 0.007 0.000 0.754 150 L CB -1.009 40.941 42.059 -0.180 0.000 0.893 150 L HN 0.320 nan 8.230 nan 0.000 0.433 151 N N -0.198 118.627 118.700 0.207 0.000 2.453 151 N HA -0.047 4.693 4.740 -0.000 0.000 0.183 151 N C 1.690 177.307 175.510 0.179 0.000 1.041 151 N CA 1.077 54.291 53.050 0.273 0.000 0.900 151 N CB -0.162 38.456 38.487 0.217 0.000 0.961 151 N HN 0.535 nan 8.380 nan 0.000 0.443 152 A N 0.101 122.995 122.820 0.124 0.000 2.119 152 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 152 A C 0.861 178.504 177.584 0.100 0.000 1.153 152 A CA 0.455 52.547 52.037 0.092 0.000 0.692 152 A CB -0.083 18.955 19.000 0.062 0.000 0.799 152 A HN 0.063 nan 8.150 nan 0.000 0.458 153 D N -0.163 120.316 120.400 0.130 0.000 2.483 153 D HA 0.208 4.848 4.640 -0.000 0.000 0.220 153 D C 1.014 177.405 176.300 0.150 0.000 1.173 153 D CA -0.186 53.890 54.000 0.127 0.000 0.964 153 D CB 0.750 41.630 40.800 0.134 0.000 1.046 153 D HN 0.238 nan 8.370 nan 0.000 0.517 154 Q N 2.523 122.391 119.800 0.112 0.000 2.224 154 Q HA -0.003 4.337 4.340 -0.000 0.000 0.203 154 Q C 1.847 177.900 176.000 0.090 0.000 0.970 154 Q CA 1.749 57.614 55.803 0.104 0.000 0.865 154 Q CB -0.369 28.413 28.738 0.074 0.000 0.922 154 Q HN 0.545 nan 8.270 nan 0.000 0.445 155 G N -0.880 107.966 108.800 0.078 0.000 2.446 155 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 155 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 155 G C 1.447 176.387 174.900 0.066 0.000 1.168 155 G CA 1.300 46.435 45.100 0.058 0.000 0.771 155 G HN 0.436 nan 8.290 nan 0.000 0.551 156 T N 0.501 115.122 114.554 0.112 0.000 2.737 156 T HA -0.120 4.230 4.350 -0.000 0.000 0.265 156 T C 2.671 177.447 174.700 0.126 0.000 1.038 156 T CA 1.625 63.811 62.100 0.144 0.000 1.144 156 T CB -0.352 68.659 68.868 0.237 0.000 0.866 156 T HN 0.323 nan 8.240 nan 0.000 0.434 157 S N 0.954 116.769 115.700 0.193 0.000 2.359 157 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 157 S C 2.380 177.008 174.600 0.047 0.000 1.035 157 S CA 1.520 59.828 58.200 0.181 0.000 1.018 157 S CB -0.563 62.791 63.200 0.258 0.000 0.876 157 S HN 0.520 nan 8.310 nan 0.000 0.448 158 A N 0.384 123.228 122.820 0.041 0.000 1.902 158 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 158 A C 2.383 179.930 177.584 -0.062 0.000 1.181 158 A CA 2.271 54.307 52.037 -0.001 0.000 0.623 158 A CB -1.564 17.441 19.000 0.009 0.000 0.818 158 A HN 0.602 nan 8.150 nan 0.000 0.443 159 T N -0.209 114.300 114.554 -0.075 0.000 2.708 159 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 159 T C 1.898 176.471 174.700 -0.211 0.000 1.037 159 T CA 1.661 63.686 62.100 -0.125 0.000 1.146 159 T CB -0.534 68.273 68.868 -0.103 0.000 0.865 159 T HN 0.157 nan 8.240 nan 0.000 0.435 160 V N 1.747 121.480 119.914 -0.302 0.000 2.287 160 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 160 V C 2.666 178.463 176.094 -0.494 0.000 1.053 160 V CA 1.777 63.752 62.300 -0.541 0.000 1.027 160 V CB -0.808 30.390 31.823 -1.042 0.000 0.646 160 V HN 0.536 nan 8.190 nan 0.000 0.447 161 Q N -0.664 118.920 119.800 -0.360 0.000 2.077 161 Q HA -0.260 4.080 4.340 -0.000 0.000 0.206 161 Q C 2.269 178.202 176.000 -0.112 0.000 0.989 161 Q CA 2.078 57.803 55.803 -0.131 0.000 0.853 161 Q CB -0.320 28.417 28.738 -0.002 0.000 0.907 161 Q HN 0.610 nan 8.270 nan 0.000 0.418 162 M N 0.153 119.683 119.600 -0.116 0.000 2.117 162 M HA -0.164 4.316 4.480 -0.000 0.000 0.262 162 M C 2.198 178.432 176.300 -0.109 0.000 1.065 162 M CA 1.354 56.597 55.300 -0.095 0.000 1.114 162 M CB -0.370 32.174 32.600 -0.093 0.000 1.361 162 M HN 0.202 nan 8.290 nan 0.000 0.408 163 L N -0.128 121.002 121.223 -0.154 0.000 2.017 163 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 163 L C 2.476 179.284 176.870 -0.103 0.000 1.073 163 L CA 0.868 55.620 54.840 -0.146 0.000 0.745 163 L CB -0.572 41.368 42.059 -0.199 0.000 0.894 163 L HN 0.281 nan 8.230 nan 0.000 0.432 164 L N -0.219 120.927 121.223 -0.128 0.000 2.044 164 L HA -0.148 4.192 4.340 -0.000 0.000 0.205 164 L C 2.239 179.083 176.870 -0.044 0.000 1.075 164 L CA 1.678 56.466 54.840 -0.087 0.000 0.747 164 L CB -1.309 40.693 42.059 -0.096 0.000 0.903 164 L HN 0.273 nan 8.230 nan 0.000 0.435 165 N N -0.799 117.873 118.700 -0.046 0.000 2.300 165 N HA -0.089 4.651 4.740 -0.000 0.000 0.179 165 N C 1.176 176.675 175.510 -0.017 0.000 1.016 165 N CA 1.006 54.040 53.050 -0.026 0.000 0.876 165 N CB 0.061 38.529 38.487 -0.031 0.000 0.979 165 N HN 0.317 nan 8.380 nan 0.000 0.432 166 D N -1.315 119.068 120.400 -0.027 0.000 3.161 166 D HA 0.120 4.760 4.640 -0.000 0.000 0.287 166 D C 1.677 177.971 176.300 -0.011 0.000 1.343 166 D CA 0.979 54.967 54.000 -0.019 0.000 1.070 166 D CB -0.647 40.135 40.800 -0.029 0.000 1.188 166 D HN -0.025 nan 8.370 nan 0.000 0.409 167 T N 0.532 115.072 114.554 -0.024 0.000 2.777 167 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 167 T C 2.115 176.835 174.700 0.033 0.000 1.040 167 T CA 0.942 63.036 62.100 -0.010 0.000 1.141 167 T CB -0.618 68.215 68.868 -0.058 0.000 0.868 167 T HN 0.176 nan 8.240 nan 0.000 0.444 168 C N 2.513 121.826 119.300 0.023 0.000 2.418 168 C HA -0.051 4.409 4.460 -0.000 0.000 0.280 168 C C -0.105 174.891 174.990 0.010 0.000 1.223 168 C CA 1.106 60.153 59.018 0.049 0.000 1.736 168 C CB -1.171 26.604 27.740 0.058 0.000 2.056 168 C HN 0.426 nan 8.230 nan 0.000 0.459 169 P HA -0.105 nan 4.420 nan 0.000 0.216 169 P C 1.696 178.982 177.300 -0.022 0.000 1.150 169 P CA 1.371 64.465 63.100 -0.010 0.000 0.837 169 P CB -0.392 31.316 31.700 0.012 0.000 0.786 170 L N -0.861 120.368 121.223 0.009 0.000 1.994 170 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 170 L C 2.470 179.360 176.870 0.034 0.000 1.071 170 L CA 1.812 56.664 54.840 0.020 0.000 0.745 170 L CB -1.706 40.378 42.059 0.040 0.000 0.892 170 L HN -0.201 nan 8.230 nan 0.000 0.431 171 F N -0.331 119.558 119.950 -0.101 0.000 2.095 171 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 171 F C 2.157 177.832 175.800 -0.209 0.000 1.104 171 F CA 2.084 60.009 58.000 -0.125 0.000 1.232 171 F CB -0.712 38.211 39.000 -0.127 0.000 0.987 171 F HN -0.029 nan 8.300 nan 0.000 0.475 172 V N 0.939 120.607 119.914 -0.409 0.000 2.358 172 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 172 V C 2.532 178.426 176.094 -0.334 0.000 1.047 172 V CA 2.105 64.101 62.300 -0.508 0.000 1.035 172 V CB -0.747 30.854 31.823 -0.370 0.000 0.658 172 V HN 0.265 nan 8.190 nan 0.000 0.452 173 R N 0.261 120.638 120.500 -0.204 0.000 2.113 173 R HA -0.186 4.154 4.340 -0.000 0.000 0.244 173 R C 2.477 178.663 176.300 -0.189 0.000 1.142 173 R CA 1.764 57.771 56.100 -0.155 0.000 0.953 173 R CB -0.975 29.274 30.300 -0.085 0.000 0.860 173 R HN 0.608 nan 8.270 nan 0.000 0.438 174 G N 1.037 109.716 108.800 -0.201 0.000 2.418 174 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 174 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 174 G C 1.478 176.215 174.900 -0.270 0.000 1.158 174 G CA 0.436 45.419 45.100 -0.195 0.000 0.771 174 G HN 0.135 nan 8.290 nan 0.000 0.545 175 L N -0.081 120.898 121.223 -0.407 0.000 2.042 175 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 175 L C 2.947 179.579 176.870 -0.396 0.000 1.076 175 L CA 0.776 55.414 54.840 -0.336 0.000 0.749 175 L CB -0.419 41.414 42.059 -0.375 0.000 0.893 175 L HN 0.205 nan 8.230 nan 0.000 0.432 176 L N -0.609 120.382 121.223 -0.385 0.000 2.083 176 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 176 L C 2.535 179.181 176.870 -0.372 0.000 1.083 176 L CA 1.310 55.898 54.840 -0.420 0.000 0.752 176 L CB -0.466 41.389 42.059 -0.341 0.000 0.899 176 L HN 0.344 nan 8.230 nan 0.000 0.433 177 E N 0.190 120.218 120.200 -0.286 0.000 2.016 177 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 177 E C 2.344 178.777 176.600 -0.278 0.000 0.985 177 E CA 1.042 57.304 56.400 -0.231 0.000 0.802 177 E CB -0.271 29.334 29.700 -0.157 0.000 0.762 177 E HN 0.445 nan 8.360 nan 0.000 0.448 178 A N 1.349 124.007 122.820 -0.269 0.000 1.978 178 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 178 A C 2.271 179.559 177.584 -0.493 0.000 1.170 178 A CA 1.658 53.555 52.037 -0.233 0.000 0.636 178 A CB -0.793 18.154 19.000 -0.087 0.000 0.810 178 A HN 0.333 nan 8.150 nan 0.000 0.448 179 G N -1.128 107.095 108.800 -0.962 0.000 3.284 179 G HA2 0.121 4.081 3.960 -0.000 0.000 0.236 179 G HA3 0.121 4.081 3.960 -0.000 0.000 0.236 179 G C 1.139 175.381 174.900 -1.097 0.000 1.158 179 G CA 0.587 44.458 45.100 -2.049 0.000 0.774 179 G HN 0.575 nan 8.290 nan 0.000 0.545 180 K N 1.470 121.500 120.400 -0.616 0.000 2.020 180 K HA -0.213 4.107 4.320 -0.000 0.000 0.212 180 K C 2.742 179.190 176.600 -0.254 0.000 1.050 180 K CA 2.093 58.166 56.287 -0.357 0.000 0.929 180 K CB -0.150 32.210 32.500 -0.234 0.000 0.714 180 K HN 0.372 nan 8.250 nan 0.000 0.443 181 S N 0.134 115.698 115.700 -0.226 0.000 2.423 181 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 181 S C 1.364 175.916 174.600 -0.082 0.000 1.014 181 S CA 1.387 59.518 58.200 -0.114 0.000 0.965 181 S CB -0.187 62.968 63.200 -0.075 0.000 0.785 181 S HN 0.311 nan 8.310 nan 0.000 0.495 182 D N 1.823 122.144 120.400 -0.132 0.000 2.149 182 D HA 0.145 4.785 4.640 -0.000 0.000 0.206 182 D C 1.989 178.278 176.300 -0.019 0.000 0.967 182 D CA 0.781 54.760 54.000 -0.035 0.000 0.848 182 D CB -0.426 40.465 40.800 0.153 0.000 0.998 182 D HN 0.364 nan 8.370 nan 0.000 0.474 183 L N 0.690 121.854 121.223 -0.098 0.000 2.131 183 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 183 L C 1.591 178.575 176.870 0.189 0.000 1.092 183 L CA 1.162 56.028 54.840 0.044 0.000 0.759 183 L CB -0.230 41.721 42.059 -0.179 0.000 0.903 183 L HN -0.029 nan 8.230 nan 0.000 0.435 184 E N 0.253 120.505 120.200 0.086 0.000 2.444 184 E HA 0.015 4.365 4.350 -0.000 0.000 0.191 184 E C 0.200 176.892 176.600 0.154 0.000 1.041 184 E CA -0.244 56.231 56.400 0.125 0.000 0.883 184 E CB 0.277 30.006 29.700 0.048 0.000 1.024 184 E HN 0.426 nan 8.360 nan 0.000 0.470 185 K N 1.011 121.516 120.400 0.176 0.000 2.319 185 K HA 0.088 4.408 4.320 -0.000 0.000 0.265 185 K C 0.015 176.803 176.600 0.313 0.000 1.000 185 K CA 0.041 56.431 56.287 0.173 0.000 0.943 185 K CB 0.711 33.252 32.500 0.070 0.000 0.950 185 K HN -0.232 nan 8.250 nan 0.000 0.485 186 Q N 1.943 121.894 119.800 0.251 0.000 2.310 186 Q HA 0.244 4.584 4.340 -0.000 0.000 0.270 186 Q C -1.120 175.049 176.000 0.281 0.000 1.025 186 Q CA -0.598 55.387 55.803 0.303 0.000 0.772 186 Q CB 2.174 31.040 28.738 0.212 0.000 1.253 186 Q HN 0.638 nan 8.270 nan 0.000 0.450 187 E N 1.849 122.263 120.200 0.357 0.000 2.210 187 E HA 0.357 4.707 4.350 -0.000 0.000 0.266 187 E C -0.736 176.015 176.600 0.252 0.000 0.883 187 E CA -0.662 55.895 56.400 0.262 0.000 0.761 187 E CB 2.230 32.074 29.700 0.240 0.000 1.156 187 E HN 0.265 nan 8.360 nan 0.000 0.412 188 K N 3.308 123.822 120.400 0.190 0.000 2.276 188 K HA 0.252 4.572 4.320 -0.000 0.000 0.283 188 K C -2.134 174.552 176.600 0.144 0.000 1.044 188 K CA -1.550 54.833 56.287 0.160 0.000 0.944 188 K CB 0.464 33.048 32.500 0.139 0.000 1.012 188 K HN 0.202 nan 8.250 nan 0.000 0.472 189 P HA 0.018 nan 4.420 nan 0.000 0.271 189 P C -0.654 176.740 177.300 0.156 0.000 1.218 189 P CA -0.236 62.963 63.100 0.164 0.000 0.780 189 P CB 0.776 32.483 31.700 0.010 0.000 0.901 190 V N 2.403 122.448 119.914 0.218 0.000 2.459 190 V HA 0.625 4.745 4.120 -0.000 0.000 0.295 190 V C 0.411 176.698 176.094 0.322 0.000 1.029 190 V CA -0.563 61.879 62.300 0.238 0.000 0.874 190 V CB 1.378 33.345 31.823 0.241 0.000 0.985 190 V HN 0.797 nan 8.190 nan 0.000 0.438 191 A N 4.780 127.760 122.820 0.267 0.000 2.354 191 A HA 1.046 5.366 4.320 -0.000 0.000 0.321 191 A C -1.241 176.601 177.584 0.431 0.000 1.125 191 A CA -0.623 51.540 52.037 0.210 0.000 0.799 191 A CB 1.480 20.478 19.000 -0.004 0.000 1.293 191 A HN 1.269 nan 8.150 nan 0.000 0.452 192 W N -0.163 121.194 121.300 0.095 0.000 3.146 192 W HA 0.676 5.336 4.660 -0.000 0.000 0.319 192 W C -2.421 174.262 176.519 0.273 0.000 1.258 192 W CA -0.936 56.494 57.345 0.141 0.000 1.189 192 W CB 0.788 30.307 29.460 0.098 0.000 1.412 192 W HN 0.535 nan 8.180 nan 0.000 0.567 193 L N 3.676 125.190 121.223 0.485 0.000 2.346 193 L HA 0.819 5.159 4.340 -0.000 0.000 0.276 193 L C 0.200 177.460 176.870 0.650 0.000 1.006 193 L CA -0.875 54.270 54.840 0.509 0.000 0.817 193 L CB 1.825 44.259 42.059 0.624 0.000 1.272 193 L HN 0.733 nan 8.230 nan 0.000 0.421 194 S N 0.811 116.862 115.700 0.584 0.000 2.720 194 S HA 0.895 5.365 4.470 -0.000 0.000 0.287 194 S C -0.738 174.039 174.600 0.295 0.000 1.168 194 S CA -0.552 57.976 58.200 0.547 0.000 0.832 194 S CB 2.146 65.662 63.200 0.526 0.000 1.166 194 S HN 0.705 nan 8.310 nan 0.000 0.493 195 S N -0.725 115.142 115.700 0.278 0.000 2.570 195 S HA 0.817 5.287 4.470 -0.000 0.000 0.270 195 S C -0.901 173.762 174.600 0.104 0.000 1.149 195 S CA -0.362 57.874 58.200 0.059 0.000 0.837 195 S CB 0.932 64.088 63.200 -0.074 0.000 1.124 195 S HN 2.058 nan 8.310 nan 0.000 0.465 196 V N -2.019 117.914 119.914 0.032 0.000 2.962 196 V HA 0.808 4.928 4.120 -0.000 0.000 0.313 196 V C -3.169 172.934 176.094 0.016 0.000 1.099 196 V CA -2.823 59.504 62.300 0.044 0.000 0.971 196 V CB 0.999 32.847 31.823 0.043 0.000 1.028 196 V HN 0.748 nan 8.190 nan 0.000 0.430 197 P HA 0.220 nan 4.420 nan 0.000 0.267 197 P C -0.109 177.198 177.300 0.013 0.000 1.200 197 P CA 0.355 63.468 63.100 0.021 0.000 0.772 197 P CB 0.545 32.266 31.700 0.034 0.000 0.855 198 S N 0.924 116.631 115.700 0.012 0.000 2.687 198 S HA 0.404 4.874 4.470 -0.000 0.000 0.283 198 S C -0.095 174.514 174.600 0.015 0.000 1.170 198 S CA -0.615 57.586 58.200 0.003 0.000 1.008 198 S CB 0.403 63.596 63.200 -0.011 0.000 1.026 198 S HN 0.372 nan 8.310 nan 0.000 0.541 199 S N 1.040 116.739 115.700 -0.001 0.000 2.437 199 S HA 0.570 5.040 4.470 -0.000 0.000 0.304 199 S C 0.096 174.689 174.600 -0.012 0.000 1.167 199 S CA -0.276 57.926 58.200 0.004 0.000 1.106 199 S CB -0.891 62.306 63.200 -0.004 0.000 1.099 199 S HN 2.044 nan 8.310 nan 0.000 0.524 200 A N 2.301 125.138 122.820 0.029 0.000 0.663 200 A HA 0.119 4.439 4.320 -0.000 0.000 0.177 200 A C -0.261 177.428 177.584 0.174 0.000 0.845 200 A CA -0.739 51.325 52.037 0.044 0.000 0.486 200 A CB -1.218 17.704 19.000 -0.130 0.000 0.373 200 A HN 0.968 nan 8.150 nan 0.000 0.331 201 H N 1.547 120.667 119.070 0.084 0.000 3.195 201 H HA 0.207 4.763 4.556 -0.000 0.000 0.302 201 H C 1.583 176.983 175.328 0.121 0.000 0.950 201 H CA 2.659 58.757 56.048 0.083 0.000 1.398 201 H CB 0.507 30.300 29.762 0.051 0.000 1.377 201 H HN 2.356 nan 8.280 nan 0.000 0.572 202 G N 3.994 112.577 108.800 -0.361 0.000 2.162 202 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 202 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 202 G C -0.316 174.420 174.900 -0.274 0.000 0.976 202 G CA 0.633 45.531 45.100 -0.338 0.000 0.655 202 G HN 0.853 nan 8.290 nan 0.000 0.533 203 H N -0.194 118.811 119.070 -0.109 0.000 2.529 203 H HA 0.809 5.365 4.556 -0.000 0.000 0.348 203 H C 0.626 175.898 175.328 -0.093 0.000 1.152 203 H CA -0.524 55.468 56.048 -0.094 0.000 1.202 203 H CB 0.988 30.701 29.762 -0.080 0.000 1.562 203 H HN 0.302 nan 8.280 nan 0.000 0.515 204 R N 1.385 121.880 120.500 -0.009 0.000 2.750 204 R HA 0.299 4.639 4.340 -0.000 0.000 0.281 204 R C -0.971 175.246 176.300 -0.138 0.000 0.972 204 R CA -1.018 55.040 56.100 -0.069 0.000 0.912 204 R CB 2.366 32.608 30.300 -0.097 0.000 1.187 204 R HN 0.589 nan 8.270 nan 0.000 0.464 205 Q N 2.530 122.241 119.800 -0.149 0.000 2.340 205 Q HA 0.256 4.596 4.340 -0.000 0.000 0.259 205 Q C -1.139 174.675 176.000 -0.310 0.000 0.964 205 Q CA -0.777 54.900 55.803 -0.209 0.000 0.900 205 Q CB 0.938 29.602 28.738 -0.124 0.000 1.228 205 Q HN 0.267 nan 8.270 nan 0.000 0.449 206 L N 4.311 125.218 121.223 -0.526 0.000 2.326 206 L HA 0.426 4.766 4.340 -0.000 0.000 0.278 206 L C -0.604 176.068 176.870 -0.330 0.000 1.092 206 L CA -0.299 54.126 54.840 -0.691 0.000 0.810 206 L CB 1.669 42.912 42.059 -1.360 0.000 1.153 206 L HN 0.467 nan 8.230 nan 0.000 0.439 207 V N 2.144 122.012 119.914 -0.077 0.000 2.487 207 V HA 0.361 4.481 4.120 -0.000 0.000 0.298 207 V C -0.424 175.661 176.094 -0.014 0.000 1.028 207 V CA -0.743 61.521 62.300 -0.061 0.000 0.860 207 V CB 1.885 33.553 31.823 -0.259 0.000 0.991 207 V HN 0.870 nan 8.190 nan 0.000 0.427 208 c N 6.428 124.957 118.600 -0.118 0.000 2.264 208 c HA 0.561 5.131 4.570 -0.000 0.000 0.324 208 c C 0.088 173.819 174.090 -0.598 0.000 1.267 208 c CA -0.369 55.746 56.329 -0.357 0.000 1.618 208 c CB -0.861 41.283 42.510 -0.611 0.000 2.278 208 c HN 0.933 nan 8.230 nan 0.000 0.499 209 H N 4.248 122.914 119.070 -0.674 0.000 2.458 209 H HA 0.551 5.107 4.556 -0.000 0.000 0.330 209 H C -0.682 174.092 175.328 -0.923 0.000 1.111 209 H CA -0.433 54.994 56.048 -1.035 0.000 1.245 209 H CB 1.621 30.254 29.762 -1.882 0.000 1.456 209 H HN 0.468 nan 8.280 nan 0.000 0.488 210 V N 2.401 121.927 119.914 -0.648 0.000 2.447 210 V HA 0.228 4.348 4.120 -0.000 0.000 0.292 210 V C -0.108 175.951 176.094 -0.059 0.000 1.021 210 V CA -0.552 61.589 62.300 -0.265 0.000 0.850 210 V CB 1.564 33.239 31.823 -0.248 0.000 1.005 210 V HN 0.760 nan 8.190 nan 0.000 0.426 211 S N 2.855 118.689 115.700 0.222 0.000 2.549 211 S HA 0.770 5.240 4.470 -0.000 0.000 0.280 211 S C 0.584 175.395 174.600 0.351 0.000 1.109 211 S CA 0.590 59.011 58.200 0.368 0.000 0.905 211 S CB 1.764 65.348 63.200 0.640 0.000 1.081 211 S HN 2.099 nan 8.310 nan 0.000 0.477 212 G N 2.326 111.256 108.800 0.217 0.000 2.144 212 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 212 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 212 G C -0.170 174.829 174.900 0.164 0.000 0.988 212 G CA 0.233 45.428 45.100 0.157 0.000 0.659 212 G HN 1.265 nan 8.290 nan 0.000 0.522 213 F N -0.513 119.517 119.950 0.134 0.000 2.379 213 F HA 0.855 5.382 4.527 0.000 0.000 0.332 213 F C -0.200 175.770 175.800 0.284 0.000 1.096 213 F CA -2.327 55.677 58.000 0.007 0.000 1.105 213 F CB 0.933 39.692 39.000 -0.402 0.000 1.189 213 F HN 0.138 nan 8.300 nan 0.000 0.515 214 Y N 3.454 123.963 120.300 0.348 0.000 2.482 214 Y HA 0.472 5.022 4.550 -0.000 0.000 0.334 214 Y C -2.832 173.402 175.900 0.557 0.000 1.091 214 Y CA -2.431 55.935 58.100 0.443 0.000 1.027 214 Y CB 2.432 41.048 38.460 0.260 0.000 1.306 214 Y HN 0.509 nan 8.280 nan 0.000 0.446 215 P HA 0.163 nan 4.420 nan 0.000 0.289 215 P C -0.021 177.315 177.300 0.059 0.000 1.299 215 P CA -0.163 62.622 63.100 -0.524 0.000 0.766 215 P CB 1.321 32.811 31.700 -0.350 0.000 1.226 216 K N -0.307 119.981 120.400 -0.186 0.000 2.057 216 K HA -0.034 4.286 4.320 -0.000 0.000 0.207 216 K C -1.228 175.344 176.600 -0.046 0.000 1.049 216 K CA 1.007 57.116 56.287 -0.297 0.000 0.931 216 K CB -1.694 30.284 32.500 -0.870 0.000 0.714 216 K HN 0.432 nan 8.250 nan 0.000 0.440 217 P HA -0.051 nan 4.420 nan 0.000 0.262 217 P C -1.150 176.219 177.300 0.114 0.000 1.199 217 P CA 0.312 63.402 63.100 -0.018 0.000 0.763 217 P CB 1.225 32.878 31.700 -0.079 0.000 0.790 218 V N 5.083 125.083 119.914 0.144 0.000 3.147 218 V HA 0.708 4.828 4.120 -0.000 0.000 0.306 218 V C -2.048 174.105 176.094 0.098 0.000 1.209 218 V CA -0.842 61.488 62.300 0.050 0.000 1.023 218 V CB 2.302 33.904 31.823 -0.368 0.000 1.059 218 V HN 0.579 nan 8.190 nan 0.000 0.435 219 W N 4.777 125.993 121.300 -0.140 0.000 2.683 219 W HA 0.792 5.452 4.660 0.000 0.000 0.329 219 W C -1.792 174.618 176.519 -0.182 0.000 1.037 219 W CA -0.403 56.864 57.345 -0.130 0.000 1.232 219 W CB 1.914 31.316 29.460 -0.097 0.000 1.390 219 W HN 0.486 nan 8.180 nan 0.000 0.465 220 V N 7.966 127.551 119.914 -0.548 0.000 2.569 220 V HA 0.554 4.674 4.120 -0.000 0.000 0.301 220 V C -0.458 175.123 176.094 -0.854 0.000 1.044 220 V CA -0.864 61.098 62.300 -0.563 0.000 0.874 220 V CB 1.536 33.088 31.823 -0.452 0.000 1.002 220 V HN 0.513 nan 8.190 nan 0.000 0.424 221 M N 3.376 122.475 119.600 -0.836 0.000 2.378 221 M HA 0.438 4.918 4.480 -0.000 0.000 0.289 221 M C -1.314 174.743 176.300 -0.404 0.000 1.136 221 M CA -0.641 54.257 55.300 -0.671 0.000 0.917 221 M CB 2.397 34.472 32.600 -0.876 0.000 1.669 221 M HN 0.679 nan 8.290 nan 0.000 0.461 222 W N 4.112 125.273 121.300 -0.231 0.000 2.190 222 W HA 0.462 5.122 4.660 -0.000 0.000 0.330 222 W C -0.012 176.457 176.519 -0.084 0.000 1.299 222 W CA -0.066 57.192 57.345 -0.145 0.000 1.215 222 W CB 0.550 29.923 29.460 -0.144 0.000 1.147 222 W HN 0.320 nan 8.180 nan 0.000 0.563 223 M N 3.293 123.009 119.600 0.193 0.000 2.518 223 M HA 0.440 4.920 4.480 -0.000 0.000 0.300 223 M C -0.598 175.799 176.300 0.162 0.000 1.175 223 M CA -1.152 54.232 55.300 0.140 0.000 0.890 223 M CB 2.363 35.023 32.600 0.100 0.000 1.710 223 M HN 0.388 nan 8.290 nan 0.000 0.453 224 R N 0.680 121.257 120.500 0.129 0.000 2.310 224 R HA 0.578 4.918 4.340 -0.000 0.000 0.316 224 R C 0.757 177.124 176.300 0.112 0.000 1.004 224 R CA 0.076 56.251 56.100 0.124 0.000 0.900 224 R CB 1.201 31.558 30.300 0.094 0.000 1.152 224 R HN 1.036 nan 8.270 nan 0.000 0.513 225 G N 2.934 111.812 108.800 0.130 0.000 2.596 225 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.304 225 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.304 225 G C 0.379 175.338 174.900 0.099 0.000 1.189 225 G CA 0.493 45.663 45.100 0.115 0.000 0.986 225 G HN 0.602 nan 8.290 nan 0.000 0.548 226 D N 1.674 122.121 120.400 0.078 0.000 2.349 226 D HA 0.102 4.742 4.640 -0.000 0.000 0.224 226 D C 0.788 177.133 176.300 0.076 0.000 1.029 226 D CA 0.710 54.751 54.000 0.068 0.000 0.879 226 D CB 0.158 40.987 40.800 0.048 0.000 0.906 226 D HN 0.322 nan 8.370 nan 0.000 0.528 227 Q N 1.205 121.053 119.800 0.079 0.000 2.360 227 Q HA 0.208 4.548 4.340 -0.000 0.000 0.254 227 Q C -0.120 175.934 176.000 0.090 0.000 0.975 227 Q CA -0.108 55.741 55.803 0.075 0.000 0.912 227 Q CB 1.135 29.909 28.738 0.059 0.000 1.212 227 Q HN 0.237 nan 8.270 nan 0.000 0.452 228 E N 2.259 122.519 120.200 0.100 0.000 2.480 228 E HA -0.035 4.315 4.350 -0.000 0.000 0.258 228 E C -0.241 176.395 176.600 0.061 0.000 0.984 228 E CA 0.096 56.554 56.400 0.096 0.000 0.930 228 E CB 0.565 30.334 29.700 0.115 0.000 0.936 228 E HN 0.175 nan 8.360 nan 0.000 0.466 229 Q N 2.910 122.747 119.800 0.062 0.000 2.361 229 Q HA 0.014 4.354 4.340 -0.000 0.000 0.250 229 Q C 0.283 176.287 176.000 0.008 0.000 1.023 229 Q CA 0.256 56.083 55.803 0.040 0.000 0.915 229 Q CB 0.925 29.700 28.738 0.061 0.000 1.238 229 Q HN 0.578 nan 8.270 nan 0.000 0.451 230 Q N 0.962 120.757 119.800 -0.008 0.000 2.488 230 Q HA -0.030 4.310 4.340 -0.000 0.000 0.211 230 Q C 1.464 177.436 176.000 -0.046 0.000 0.967 230 Q CA 0.750 56.538 55.803 -0.026 0.000 0.926 230 Q CB 0.218 28.943 28.738 -0.021 0.000 0.992 230 Q HN 0.777 nan 8.270 nan 0.000 0.506 231 G N 0.504 109.272 108.800 -0.053 0.000 2.679 231 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.212 231 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.212 231 G C 0.447 175.308 174.900 -0.064 0.000 1.137 231 G CA 0.006 45.059 45.100 -0.079 0.000 0.787 231 G HN 0.148 nan 8.290 nan 0.000 0.534 232 T N 1.038 115.578 114.554 -0.023 0.000 2.793 232 T HA 0.060 4.409 4.350 -0.000 0.000 0.289 232 T C -0.342 174.380 174.700 0.037 0.000 0.956 232 T CA 0.291 62.414 62.100 0.038 0.000 1.177 232 T CB 0.127 69.010 68.868 0.025 0.000 0.897 232 T HN 0.376 nan 8.240 nan 0.000 0.533 233 H N 3.830 122.854 119.070 -0.076 0.000 2.638 233 H HA 0.325 4.881 4.556 -0.000 0.000 0.303 233 H C 0.392 175.651 175.328 -0.115 0.000 1.034 233 H CA -1.014 54.977 56.048 -0.095 0.000 1.225 233 H CB 0.436 30.143 29.762 -0.092 0.000 1.394 233 H HN 0.424 nan 8.280 nan 0.000 0.477 234 R N 3.583 124.049 120.500 -0.057 0.000 2.389 234 R HA 0.193 4.533 4.340 -0.000 0.000 0.295 234 R C 0.117 176.229 176.300 -0.314 0.000 1.075 234 R CA -0.159 55.810 56.100 -0.219 0.000 1.005 234 R CB 0.815 30.985 30.300 -0.216 0.000 0.987 234 R HN 0.747 nan 8.270 nan 0.000 0.452 235 G N 2.184 110.785 108.800 -0.331 0.000 2.508 235 G HA2 0.048 4.008 3.960 -0.000 0.000 0.278 235 G HA3 0.048 4.008 3.960 -0.000 0.000 0.278 235 G C -0.618 174.143 174.900 -0.232 0.000 1.389 235 G CA -0.521 44.408 45.100 -0.284 0.000 1.050 235 G HN 0.610 nan 8.290 nan 0.000 0.522 236 D N -0.821 119.504 120.400 -0.126 0.000 2.312 236 D HA 0.314 4.954 4.640 -0.000 0.000 0.248 236 D C -0.329 175.943 176.300 -0.048 0.000 1.086 236 D CA 0.018 53.989 54.000 -0.048 0.000 0.948 236 D CB 0.923 41.750 40.800 0.045 0.000 1.162 236 D HN 0.065 nan 8.370 nan 0.000 0.446 237 F N 0.568 120.527 119.950 0.016 0.000 2.467 237 F HA 0.203 4.730 4.527 -0.000 0.000 0.362 237 F C 0.504 176.484 175.800 0.300 0.000 1.090 237 F CA -0.196 57.851 58.000 0.078 0.000 1.202 237 F CB 0.310 39.122 39.000 -0.314 0.000 1.113 237 F HN -0.111 nan 8.300 nan 0.000 0.541 238 L N 6.144 127.732 121.223 0.608 0.000 2.346 238 L HA 0.502 4.842 4.340 -0.000 0.000 0.276 238 L C -2.383 174.767 176.870 0.467 0.000 1.006 238 L CA -2.276 52.846 54.840 0.470 0.000 0.817 238 L CB 2.008 44.247 42.059 0.300 0.000 1.272 238 L HN 0.337 nan 8.230 nan 0.000 0.421 239 P HA 0.176 nan 4.420 nan 0.000 0.284 239 P C -1.189 176.053 177.300 -0.097 0.000 1.253 239 P CA -0.488 62.497 63.100 -0.192 0.000 0.800 239 P CB 1.228 32.771 31.700 -0.262 0.000 0.961 240 N N 1.080 119.692 118.700 -0.147 0.000 2.434 240 N HA 0.269 5.009 4.740 -0.000 0.000 0.266 240 N C 1.153 176.602 175.510 -0.102 0.000 1.223 240 N CA -0.469 52.536 53.050 -0.075 0.000 0.972 240 N CB 0.678 39.148 38.487 -0.028 0.000 1.207 240 N HN 0.390 nan 8.380 nan 0.000 0.525 241 A N -0.138 122.648 122.820 -0.057 0.000 2.238 241 A HA -0.048 4.272 4.320 -0.000 0.000 0.208 241 A C 0.412 177.963 177.584 -0.054 0.000 1.177 241 A CA 0.538 52.546 52.037 -0.048 0.000 0.804 241 A CB -0.252 18.732 19.000 -0.028 0.000 0.823 241 A HN 0.657 nan 8.150 nan 0.000 0.482 242 D N -0.846 119.516 120.400 -0.063 0.000 2.643 242 D HA 0.122 4.762 4.640 -0.000 0.000 0.244 242 D C -0.154 176.092 176.300 -0.091 0.000 1.257 242 D CA -0.218 53.747 54.000 -0.059 0.000 0.831 242 D CB -0.850 39.930 40.800 -0.033 0.000 1.043 242 D HN 0.396 nan 8.370 nan 0.000 0.488 243 E N -0.309 119.814 120.200 -0.128 0.000 2.389 243 E HA -0.176 4.174 4.350 -0.000 0.000 0.243 243 E C -0.493 175.999 176.600 -0.180 0.000 1.154 243 E CA 0.985 57.281 56.400 -0.174 0.000 0.723 243 E CB -1.906 27.696 29.700 -0.164 0.000 1.261 243 E HN 0.715 nan 8.360 nan 0.000 0.390 244 T N -3.810 110.628 114.554 -0.192 0.000 2.865 244 T HA 0.670 5.020 4.350 -0.000 0.000 0.294 244 T C -0.524 173.958 174.700 -0.364 0.000 1.119 244 T CA -0.942 61.082 62.100 -0.127 0.000 1.007 244 T CB 1.365 70.224 68.868 -0.015 0.000 1.225 244 T HN 0.236 nan 8.240 nan 0.000 0.515 245 W N -0.093 121.023 121.300 -0.306 0.000 2.578 245 W HA 0.701 5.362 4.660 0.000 0.000 0.353 245 W C -0.901 175.346 176.519 -0.455 0.000 1.088 245 W CA -0.867 56.198 57.345 -0.467 0.000 1.235 245 W CB 1.367 30.373 29.460 -0.758 0.000 1.362 245 W HN 0.811 nan 8.180 nan 0.000 0.592 246 Y N 2.514 122.896 120.300 0.136 0.000 2.477 246 Y HA 0.702 5.252 4.550 0.000 0.000 0.347 246 Y C -1.677 174.373 175.900 0.251 0.000 0.981 246 Y CA -1.352 56.864 58.100 0.194 0.000 1.033 246 Y CB 1.322 39.881 38.460 0.166 0.000 1.245 246 Y HN 0.362 nan 8.280 nan 0.000 0.455 247 L N 6.011 127.060 121.223 -0.290 0.000 2.505 247 L HA 0.463 4.803 4.340 -0.000 0.000 0.259 247 L C -1.775 174.741 176.870 -0.592 0.000 0.952 247 L CA -0.287 54.367 54.840 -0.310 0.000 0.840 247 L CB 2.314 44.198 42.059 -0.292 0.000 1.358 247 L HN 0.790 nan 8.230 nan 0.000 0.409 248 Q N 3.677 123.230 119.800 -0.411 0.000 2.416 248 Q HA 0.985 5.324 4.340 -0.000 0.000 0.279 248 Q C -1.559 174.235 176.000 -0.344 0.000 1.101 248 Q CA -1.039 54.503 55.803 -0.435 0.000 0.830 248 Q CB 2.580 31.071 28.738 -0.413 0.000 1.402 248 Q HN 0.858 nan 8.270 nan 0.000 0.445 249 A N 1.059 123.694 122.820 -0.309 0.000 2.427 249 A HA 0.690 5.010 4.320 -0.000 0.000 0.298 249 A C -0.568 177.030 177.584 0.024 0.000 1.036 249 A CA -0.416 51.515 52.037 -0.177 0.000 0.701 249 A CB 1.835 20.706 19.000 -0.214 0.000 1.250 249 A HN 0.820 nan 8.150 nan 0.000 0.412 250 T N -0.666 113.900 114.554 0.021 0.000 2.950 250 T HA 0.783 5.133 4.350 -0.000 0.000 0.288 250 T C -0.849 173.782 174.700 -0.115 0.000 1.035 250 T CA -0.717 61.374 62.100 -0.014 0.000 1.028 250 T CB 1.442 70.255 68.868 -0.091 0.000 1.109 250 T HN 1.406 nan 8.240 nan 0.000 0.514 251 L N 1.335 122.311 121.223 -0.413 0.000 2.516 251 L HA 0.483 4.823 4.340 -0.000 0.000 0.267 251 L C -1.343 175.267 176.870 -0.433 0.000 0.957 251 L CA -0.471 54.056 54.840 -0.522 0.000 0.860 251 L CB 2.050 43.478 42.059 -1.051 0.000 1.265 251 L HN 0.903 nan 8.230 nan 0.000 0.403 252 D N 3.794 124.037 120.400 -0.262 0.000 2.277 252 D HA 0.499 5.139 4.640 -0.000 0.000 0.249 252 D C -0.840 175.363 176.300 -0.162 0.000 1.134 252 D CA 0.111 54.000 54.000 -0.186 0.000 0.863 252 D CB 1.516 42.246 40.800 -0.117 0.000 1.143 252 D HN 0.460 nan 8.370 nan 0.000 0.458 253 V N 0.628 120.451 119.914 -0.152 0.000 2.876 253 V HA 0.524 4.644 4.120 -0.000 0.000 0.312 253 V C -0.167 175.860 176.094 -0.111 0.000 1.085 253 V CA -1.058 61.157 62.300 -0.143 0.000 0.945 253 V CB 1.870 33.538 31.823 -0.258 0.000 1.017 253 V HN 0.405 nan 8.190 nan 0.000 0.428 254 E N 2.227 122.321 120.200 -0.176 0.000 2.338 254 E HA 0.511 4.861 4.350 -0.000 0.000 0.272 254 E C 0.401 176.853 176.600 -0.247 0.000 1.029 254 E CA -0.113 56.048 56.400 -0.398 0.000 0.872 254 E CB 1.524 31.030 29.700 -0.323 0.000 1.015 254 E HN 1.094 nan 8.360 nan 0.000 0.417 255 A N 2.587 125.254 122.820 -0.255 0.000 2.546 255 A HA 0.361 4.681 4.320 -0.000 0.000 0.243 255 A C 1.241 178.764 177.584 -0.102 0.000 1.063 255 A CA 0.842 52.797 52.037 -0.137 0.000 0.757 255 A CB -0.247 18.676 19.000 -0.129 0.000 0.991 255 A HN 0.849 nan 8.150 nan 0.000 0.503 256 G N 1.380 110.155 108.800 -0.043 0.000 2.604 256 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.205 256 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.205 256 G C 0.703 175.597 174.900 -0.009 0.000 1.186 256 G CA 0.365 45.451 45.100 -0.024 0.000 0.753 256 G HN 0.640 nan 8.290 nan 0.000 0.526 257 E N 1.766 121.943 120.200 -0.039 0.000 2.516 257 E HA 0.032 4.382 4.350 -0.000 0.000 0.199 257 E C 2.032 178.627 176.600 -0.008 0.000 1.069 257 E CA 1.022 57.405 56.400 -0.029 0.000 0.876 257 E CB -0.140 29.525 29.700 -0.059 0.000 0.843 257 E HN 0.846 nan 8.360 nan 0.000 0.530 258 E N 0.976 121.188 120.200 0.020 0.000 2.150 258 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 258 E C 0.844 177.577 176.600 0.222 0.000 0.985 258 E CA 0.466 56.914 56.400 0.081 0.000 0.814 258 E CB -0.033 29.790 29.700 0.204 0.000 0.752 258 E HN 0.065 nan 8.360 nan 0.000 0.466 259 A N 0.818 123.743 122.820 0.175 0.000 2.488 259 A HA 0.393 4.713 4.320 -0.000 0.000 0.249 259 A C 1.289 178.969 177.584 0.160 0.000 1.083 259 A CA 0.630 52.770 52.037 0.173 0.000 0.768 259 A CB -0.069 18.993 19.000 0.104 0.000 1.017 259 A HN 0.332 nan 8.150 nan 0.000 0.496 260 G N 1.128 110.045 108.800 0.196 0.000 2.194 260 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.236 260 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.236 260 G C 0.138 175.186 174.900 0.247 0.000 0.987 260 G CA 0.221 45.436 45.100 0.192 0.000 0.635 260 G HN 0.767 nan 8.290 nan 0.000 0.520 261 L N 1.081 122.475 121.223 0.285 0.000 2.417 261 L HA 0.663 5.003 4.340 -0.000 0.000 0.268 261 L C 0.738 177.859 176.870 0.417 0.000 1.158 261 L CA 0.202 55.239 54.840 0.329 0.000 0.819 261 L CB 1.436 43.653 42.059 0.263 0.000 1.112 261 L HN 0.480 nan 8.230 nan 0.000 0.458 262 A N 2.056 125.063 122.820 0.313 0.000 2.515 262 A HA 0.588 4.908 4.320 -0.000 0.000 0.296 262 A C -1.420 176.051 177.584 -0.189 0.000 1.094 262 A CA -0.513 51.530 52.037 0.009 0.000 0.718 262 A CB 1.733 20.559 19.000 -0.290 0.000 1.307 262 A HN 0.731 nan 8.150 nan 0.000 0.408 263 c N 1.262 119.525 118.600 -0.562 0.000 2.303 263 c HA 0.815 5.385 4.570 -0.000 0.000 0.326 263 c C 0.139 173.956 174.090 -0.454 0.000 1.285 263 c CA -0.461 55.365 56.329 -0.837 0.000 1.675 263 c CB 0.076 41.860 42.510 -1.210 0.000 2.289 263 c HN 0.894 nan 8.230 nan 0.000 0.512 264 R N 4.217 124.538 120.500 -0.299 0.000 2.494 264 R HA 0.736 5.076 4.340 -0.000 0.000 0.305 264 R C -1.359 174.952 176.300 0.017 0.000 0.959 264 R CA -0.398 55.658 56.100 -0.074 0.000 0.864 264 R CB 1.756 32.127 30.300 0.118 0.000 1.159 264 R HN 0.695 nan 8.270 nan 0.000 0.446 265 V N 3.884 123.808 119.914 0.016 0.000 2.540 265 V HA 0.542 4.662 4.120 -0.000 0.000 0.302 265 V C -1.354 174.799 176.094 0.099 0.000 1.035 265 V CA -0.683 61.649 62.300 0.053 0.000 0.873 265 V CB 1.739 33.496 31.823 -0.109 0.000 0.992 265 V HN 0.804 nan 8.190 nan 0.000 0.428 266 K N 5.926 126.434 120.400 0.181 0.000 2.221 266 K HA 0.610 4.930 4.320 -0.000 0.000 0.258 266 K C -1.008 175.650 176.600 0.096 0.000 0.944 266 K CA -0.666 55.660 56.287 0.065 0.000 0.823 266 K CB 1.532 33.982 32.500 -0.083 0.000 1.113 266 K HN 0.894 nan 8.250 nan 0.000 0.431 267 H N 0.587 119.633 119.070 -0.041 0.000 3.046 267 H HA 0.025 4.581 4.556 0.000 0.000 0.363 267 H C 0.506 175.831 175.328 -0.004 0.000 1.203 267 H CA -0.210 55.816 56.048 -0.035 0.000 1.169 267 H CB 2.084 31.817 29.762 -0.048 0.000 1.851 267 H HN 0.710 nan 8.280 nan 0.000 0.546 268 S N 1.939 117.309 115.700 -0.550 0.000 2.407 268 S HA -0.243 4.227 4.470 -0.000 0.000 0.235 268 S C 1.811 176.365 174.600 -0.076 0.000 1.036 268 S CA 1.761 59.783 58.200 -0.296 0.000 1.013 268 S CB -0.472 62.529 63.200 -0.331 0.000 0.820 268 S HN 0.578 nan 8.310 nan 0.000 0.476 269 S N 1.334 117.102 115.700 0.113 0.000 2.522 269 S HA 0.228 4.698 4.470 -0.000 0.000 0.227 269 S C 1.458 176.158 174.600 0.166 0.000 0.986 269 S CA 0.191 58.531 58.200 0.234 0.000 0.929 269 S CB -0.668 62.783 63.200 0.419 0.000 0.769 269 S HN 0.557 nan 8.310 nan 0.000 0.529 270 L N 1.150 122.456 121.223 0.138 0.000 2.591 270 L HA 0.298 4.638 4.340 -0.000 0.000 0.228 270 L C 1.950 178.850 176.870 0.050 0.000 1.133 270 L CA 0.220 55.116 54.840 0.093 0.000 0.880 270 L CB -1.030 41.080 42.059 0.085 0.000 1.033 270 L HN 0.615 nan 8.230 nan 0.000 0.450 271 G N 1.008 109.831 108.800 0.037 0.000 2.687 271 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.303 271 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.303 271 G C 0.725 175.621 174.900 -0.005 0.000 1.209 271 G CA 0.042 45.151 45.100 0.015 0.000 0.968 271 G HN 0.437 nan 8.290 nan 0.000 0.549 272 G N -0.655 108.140 108.800 -0.009 0.000 4.530 272 G HA2 0.491 4.451 3.960 -0.000 0.000 0.284 272 G HA3 0.491 4.451 3.960 -0.000 0.000 0.284 272 G C 0.058 174.944 174.900 -0.024 0.000 1.008 272 G CA 1.192 46.276 45.100 -0.028 0.000 0.770 272 G HN 0.731 nan 8.290 nan 0.000 0.424 273 Q N 1.982 121.779 119.800 -0.004 0.000 2.430 273 Q HA 0.355 4.695 4.340 -0.000 0.000 0.245 273 Q C -0.728 175.275 176.000 0.006 0.000 1.021 273 Q CA -0.608 55.197 55.803 0.003 0.000 0.867 273 Q CB 0.381 29.129 28.738 0.017 0.000 1.210 273 Q HN 0.140 nan 8.270 nan 0.000 0.487 274 D N 3.068 123.462 120.400 -0.010 0.000 2.423 274 D HA 0.057 4.697 4.640 -0.000 0.000 0.238 274 D C 0.036 176.339 176.300 0.005 0.000 1.142 274 D CA 0.344 54.339 54.000 -0.008 0.000 0.884 274 D CB 0.657 41.439 40.800 -0.030 0.000 1.199 274 D HN 0.577 nan 8.370 nan 0.000 0.438 275 I N 1.977 122.549 120.570 0.004 0.000 2.496 275 I HA 0.133 4.303 4.170 -0.000 0.000 0.285 275 I C 0.218 176.305 176.117 -0.050 0.000 1.080 275 I CA 0.047 61.343 61.300 -0.006 0.000 1.404 275 I CB 0.357 38.353 38.000 -0.007 0.000 1.403 275 I HN 0.058 nan 8.210 nan 0.000 0.539 276 I N 7.529 128.059 120.570 -0.066 0.000 2.447 276 I HA 0.383 4.553 4.170 -0.000 0.000 0.287 276 I C -0.669 175.292 176.117 -0.261 0.000 1.023 276 I CA -0.441 60.738 61.300 -0.201 0.000 1.083 276 I CB 1.407 39.277 38.000 -0.216 0.000 1.245 276 I HN 0.317 nan 8.210 nan 0.000 0.434 277 L N 6.089 127.118 121.223 -0.324 0.000 2.334 277 L HA 0.526 4.866 4.340 -0.000 0.000 0.276 277 L C -1.196 175.479 176.870 -0.325 0.000 1.014 277 L CA -0.866 53.858 54.840 -0.193 0.000 0.815 277 L CB 1.489 43.517 42.059 -0.052 0.000 1.268 277 L HN 0.415 nan 8.230 nan 0.000 0.428 278 Y N 1.034 121.407 120.300 0.122 0.000 2.341 278 Y HA 0.231 4.781 4.550 -0.000 0.000 0.337 278 Y C 0.152 176.209 175.900 0.261 0.000 1.014 278 Y CA -0.340 57.866 58.100 0.177 0.000 1.111 278 Y CB 1.425 39.953 38.460 0.113 0.000 1.194 278 Y HN 0.551 nan 8.280 nan 0.000 0.462 279 W N 0.000 121.470 121.300 0.283 0.000 2.388 279 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 279 W CA 0.000 57.494 57.345 0.249 0.000 1.226 279 W CB 0.000 29.625 29.460 0.275 0.000 1.126 279 W HN 0.000 nan 8.180 nan 0.000 0.535