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 2zhg_1_A DATA FIRST_RESID 10 DATA SEQUENCE ALLTPGEVAK RSGVAVSALH FYESKGLITS IRNSGNQRRY KRDVLRYVAI DATA SEQUENCE IKIAQRIGIP LATIGEAFGV XXXXXTLSAK EWKQLSSQWR EELDRRIHTL DATA SEQUENCE VALRDELDGC IGCGCLSRSD CPLRNP 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.604 177.584 0.033 0.000 1.274 10 A CA 0.000 52.051 52.037 0.023 0.000 0.836 10 A CB 0.000 19.013 19.000 0.022 0.000 0.831 11 L N 0.943 122.185 121.223 0.033 0.000 2.334 11 L HA 0.499 4.842 4.340 0.005 0.000 0.277 11 L C -0.169 176.740 176.870 0.065 0.000 1.075 11 L CA -0.136 54.732 54.840 0.046 0.000 0.804 11 L CB 0.894 42.966 42.059 0.021 0.000 1.174 11 L HN 0.680 nan 8.230 nan 0.000 0.438 12 L N 1.595 122.886 121.223 0.114 0.000 2.350 12 L HA 0.313 4.656 4.340 0.005 0.000 0.275 12 L C 0.847 177.832 176.870 0.191 0.000 1.099 12 L CA -0.299 54.632 54.840 0.150 0.000 0.808 12 L CB 1.415 43.586 42.059 0.186 0.000 1.149 12 L HN 0.646 nan 8.230 nan 0.000 0.442 13 T N 0.508 115.155 114.554 0.156 0.000 2.913 13 T HA 0.277 4.630 4.350 0.005 0.000 0.287 13 T C -1.762 173.103 174.700 0.276 0.000 1.008 13 T CA -1.764 60.428 62.100 0.154 0.000 1.067 13 T CB 1.540 70.463 68.868 0.091 0.000 0.996 13 T HN 0.332 nan 8.240 nan 0.000 0.513 14 P HA -0.052 nan 4.420 nan 0.000 0.216 14 P C 1.579 178.985 177.300 0.176 0.000 1.154 14 P CA 1.539 64.897 63.100 0.430 0.000 0.865 14 P CB -0.302 31.614 31.700 0.359 0.000 0.789 15 G N -0.078 108.794 108.800 0.120 0.000 2.459 15 G HA2 -0.263 3.700 3.960 0.005 0.000 0.217 15 G HA3 -0.263 3.700 3.960 0.005 0.000 0.217 15 G C 1.397 176.328 174.900 0.052 0.000 1.183 15 G CA 0.864 46.002 45.100 0.063 0.000 0.776 15 G HN 0.275 nan 8.290 nan 0.000 0.552 16 E N 0.007 120.247 120.200 0.068 0.000 2.021 16 E HA -0.162 4.191 4.350 0.005 0.000 0.200 16 E C 2.690 179.313 176.600 0.039 0.000 1.015 16 E CA 1.489 57.921 56.400 0.054 0.000 0.824 16 E CB -0.471 29.270 29.700 0.068 0.000 0.762 16 E HN 0.228 nan 8.360 nan 0.000 0.454 17 V N 1.470 121.412 119.914 0.047 0.000 2.439 17 V HA -0.340 3.783 4.120 0.005 0.000 0.253 17 V C 2.278 178.353 176.094 -0.031 0.000 1.074 17 V CA 1.919 64.209 62.300 -0.017 0.000 1.076 17 V CB -0.902 30.835 31.823 -0.143 0.000 0.664 17 V HN 0.375 nan 8.190 nan 0.000 0.461 18 A N -0.047 122.763 122.820 -0.017 0.000 1.929 18 A HA -0.114 4.209 4.320 0.005 0.000 0.216 18 A C 2.458 180.039 177.584 -0.005 0.000 1.176 18 A CA 2.204 54.229 52.037 -0.020 0.000 0.628 18 A CB -0.540 18.446 19.000 -0.022 0.000 0.816 18 A HN 0.550 nan 8.150 nan 0.000 0.444 19 K N 0.280 120.682 120.400 0.004 0.000 2.031 19 K HA -0.021 4.302 4.320 0.005 0.000 0.205 19 K C 2.053 178.658 176.600 0.009 0.000 1.049 19 K CA 1.296 57.587 56.287 0.007 0.000 0.939 19 K CB -0.610 31.896 32.500 0.011 0.000 0.717 19 K HN 0.601 nan 8.250 nan 0.000 0.438 20 R N 0.335 120.841 120.500 0.010 0.000 2.280 20 R HA 0.080 4.423 4.340 0.005 0.000 0.207 20 R C 2.061 178.369 176.300 0.013 0.000 1.043 20 R CA 1.220 57.327 56.100 0.011 0.000 1.006 20 R CB 0.163 30.471 30.300 0.012 0.000 0.885 20 R HN 0.380 nan 8.270 nan 0.000 0.467 21 S N -1.018 114.690 115.700 0.014 0.000 2.499 21 S HA 0.141 4.614 4.470 0.005 0.000 0.225 21 S C 1.130 175.750 174.600 0.034 0.000 1.050 21 S CA 0.570 58.787 58.200 0.028 0.000 0.928 21 S CB 1.134 64.354 63.200 0.033 0.000 0.803 21 S HN 0.549 nan 8.310 nan 0.000 0.506 22 G N 1.866 110.678 108.800 0.021 0.000 2.171 22 G HA2 -0.198 3.765 3.960 0.005 0.000 0.238 22 G HA3 -0.198 3.765 3.960 0.005 0.000 0.238 22 G C -0.006 174.907 174.900 0.023 0.000 1.039 22 G CA 0.202 45.314 45.100 0.019 0.000 0.759 22 G HN 1.033 nan 8.290 nan 0.000 0.501 23 V N -3.246 116.679 119.914 0.018 0.000 3.001 23 V HA 0.983 5.106 4.120 0.005 0.000 0.314 23 V C 0.627 176.699 176.094 -0.037 0.000 1.099 23 V CA -0.724 61.582 62.300 0.009 0.000 0.989 23 V CB 1.590 33.445 31.823 0.053 0.000 1.040 23 V HN 1.791 nan 8.190 nan 0.000 0.434 24 A N 1.988 124.768 122.820 -0.068 0.000 2.425 24 A HA 0.518 4.840 4.320 0.005 0.000 0.242 24 A C 1.146 178.645 177.584 -0.140 0.000 1.077 24 A CA 0.269 52.249 52.037 -0.096 0.000 0.781 24 A CB 0.712 19.648 19.000 -0.107 0.000 1.020 24 A HN 1.349 nan 8.150 nan 0.000 0.494 25 V N 1.839 121.657 119.914 -0.160 0.000 2.515 25 V HA -0.206 3.917 4.120 0.005 0.000 0.250 25 V C 2.520 178.340 176.094 -0.457 0.000 1.058 25 V CA 2.601 64.750 62.300 -0.253 0.000 1.064 25 V CB -0.739 30.948 31.823 -0.227 0.000 0.675 25 V HN 0.997 nan 8.190 nan 0.000 0.461 26 S N 0.932 116.433 115.700 -0.332 0.000 2.402 26 S HA -0.134 4.339 4.470 0.005 0.000 0.229 26 S C 2.178 176.679 174.600 -0.165 0.000 1.021 26 S CA 1.167 59.215 58.200 -0.253 0.000 0.974 26 S CB -0.488 62.632 63.200 -0.134 0.000 0.800 26 S HN 0.621 nan 8.310 nan 0.000 0.484 27 A N 2.113 124.801 122.820 -0.219 0.000 1.902 27 A HA 0.078 4.401 4.320 0.005 0.000 0.217 27 A C 2.195 179.511 177.584 -0.447 0.000 1.181 27 A CA 1.128 52.950 52.037 -0.357 0.000 0.623 27 A CB -0.778 18.015 19.000 -0.344 0.000 0.818 27 A HN 0.470 nan 8.150 nan 0.000 0.443 28 L N -1.438 119.654 121.223 -0.217 0.000 2.056 28 L HA -0.183 4.159 4.340 0.005 0.000 0.207 28 L C 2.648 179.617 176.870 0.164 0.000 1.078 28 L CA 1.274 56.096 54.840 -0.030 0.000 0.749 28 L CB -0.864 41.169 42.059 -0.043 0.000 0.901 28 L HN 0.402 nan 8.230 nan 0.000 0.433 29 H N -0.750 118.355 119.070 0.059 0.000 2.319 29 H HA -0.220 4.337 4.556 0.002 0.000 0.299 29 H C 1.940 177.340 175.328 0.121 0.000 1.092 29 H CA 1.641 57.751 56.048 0.103 0.000 1.302 29 H CB -0.647 29.168 29.762 0.088 0.000 1.373 29 H HN 0.229 nan 8.280 nan 0.000 0.497 30 F N 0.698 120.686 119.950 0.064 0.000 2.075 30 F HA -0.231 4.298 4.527 0.003 0.000 0.297 30 F C 2.198 178.065 175.800 0.112 0.000 1.113 30 F CA 1.328 59.337 58.000 0.016 0.000 1.218 30 F CB -0.984 37.952 39.000 -0.107 0.000 0.984 30 F HN 0.158 nan 8.300 nan 0.000 0.472 31 Y N 0.114 120.383 120.300 -0.053 0.000 2.207 31 Y HA -0.289 4.265 4.550 0.007 0.000 0.287 31 Y C 2.706 178.537 175.900 -0.113 0.000 1.156 31 Y CA 1.163 59.167 58.100 -0.161 0.000 1.182 31 Y CB -0.508 37.948 38.460 -0.006 0.000 0.979 31 Y HN 0.225 nan 8.280 nan 0.000 0.521 32 E N 0.480 120.775 120.200 0.159 0.000 2.106 32 E HA -0.201 4.152 4.350 0.005 0.000 0.192 32 E C 2.265 178.886 176.600 0.035 0.000 0.984 32 E CA 1.404 57.871 56.400 0.113 0.000 0.806 32 E CB -0.053 29.748 29.700 0.168 0.000 0.750 32 E HN 0.430 nan 8.360 nan 0.000 0.458 33 S N 0.064 115.770 115.700 0.010 0.000 2.402 33 S HA -0.047 4.425 4.470 0.005 0.000 0.229 33 S C 1.714 176.266 174.600 -0.080 0.000 1.021 33 S CA 0.606 58.797 58.200 -0.015 0.000 0.974 33 S CB -0.000 63.221 63.200 0.036 0.000 0.800 33 S HN 0.031 nan 8.310 nan 0.000 0.484 34 K N 1.257 121.539 120.400 -0.197 0.000 2.458 34 K HA 0.238 4.561 4.320 0.005 0.000 0.194 34 K C 1.114 177.650 176.600 -0.107 0.000 1.024 34 K CA 0.482 56.639 56.287 -0.217 0.000 1.108 34 K CB -0.548 31.690 32.500 -0.436 0.000 0.846 34 K HN 0.615 nan 8.250 nan 0.000 0.518 35 G N 1.940 110.709 108.800 -0.051 0.000 2.323 35 G HA2 -0.247 3.716 3.960 0.005 0.000 0.292 35 G HA3 -0.247 3.716 3.960 0.005 0.000 0.292 35 G C 0.519 175.430 174.900 0.018 0.000 1.040 35 G CA 0.320 45.415 45.100 -0.008 0.000 0.942 35 G HN 0.374 nan 8.290 nan 0.000 0.506 36 L N -0.992 120.246 121.223 0.025 0.000 2.638 36 L HA 0.450 4.793 4.340 0.005 0.000 0.232 36 L C 1.426 178.350 176.870 0.091 0.000 1.099 36 L CA 0.406 55.297 54.840 0.084 0.000 0.883 36 L CB -0.027 41.988 42.059 -0.074 0.000 1.136 36 L HN 0.597 nan 8.230 nan 0.000 0.492 37 I N -4.660 115.938 120.570 0.046 0.000 3.095 37 I HA 0.596 4.769 4.170 0.005 0.000 0.310 37 I C -0.868 175.273 176.117 0.039 0.000 1.196 37 I CA -0.549 60.753 61.300 0.002 0.000 0.985 37 I CB 2.360 40.420 38.000 0.100 0.000 1.250 37 I HN -0.333 nan 8.210 nan 0.000 0.446 38 T N 1.585 116.167 114.554 0.047 0.000 2.924 38 T HA 0.603 4.956 4.350 0.005 0.000 0.291 38 T C -0.540 174.261 174.700 0.168 0.000 1.045 38 T CA -0.617 61.528 62.100 0.075 0.000 1.015 38 T CB 1.799 70.670 68.868 0.006 0.000 1.103 38 T HN 0.754 nan 8.240 nan 0.000 0.496 39 S N 0.624 116.373 115.700 0.081 0.000 2.671 39 S HA 0.865 5.338 4.470 0.005 0.000 0.299 39 S C -1.493 173.068 174.600 -0.065 0.000 1.116 39 S CA -0.762 57.425 58.200 -0.022 0.000 0.912 39 S CB 0.895 64.061 63.200 -0.057 0.000 1.130 39 S HN 0.634 nan 8.310 nan 0.000 0.501 40 I N 2.041 122.529 120.570 -0.136 0.000 2.656 40 I HA 0.477 4.650 4.170 0.005 0.000 0.292 40 I C -0.965 175.077 176.117 -0.124 0.000 1.144 40 I CA -0.853 60.390 61.300 -0.095 0.000 1.038 40 I CB 1.863 39.821 38.000 -0.069 0.000 1.244 40 I HN 0.563 nan 8.210 nan 0.000 0.420 41 R N 4.908 125.357 120.500 -0.085 0.000 2.368 41 R HA 0.369 4.712 4.340 0.005 0.000 0.302 41 R C -0.294 175.970 176.300 -0.060 0.000 1.002 41 R CA -0.705 55.347 56.100 -0.079 0.000 0.929 41 R CB 0.672 30.936 30.300 -0.059 0.000 1.073 41 R HN 0.642 nan 8.270 nan 0.000 0.464 42 N N -0.297 118.369 118.700 -0.057 0.000 2.431 42 N HA -0.002 4.741 4.740 0.005 0.000 0.289 42 N C 0.611 176.104 175.510 -0.028 0.000 1.277 42 N CA -0.485 52.542 53.050 -0.039 0.000 0.972 42 N CB 0.239 38.705 38.487 -0.035 0.000 1.143 42 N HN 0.293 nan 8.380 nan 0.000 0.578 43 S N -2.214 113.475 115.700 -0.020 0.000 2.488 43 S HA -0.027 4.446 4.470 0.005 0.000 0.246 43 S C 1.028 175.620 174.600 -0.014 0.000 0.992 43 S CA 1.215 59.406 58.200 -0.015 0.000 0.963 43 S CB -0.955 62.238 63.200 -0.010 0.000 0.754 43 S HN 0.808 nan 8.310 nan 0.000 0.519 44 G N 0.241 109.031 108.800 -0.016 0.000 4.547 44 G HA2 0.291 4.253 3.960 0.005 0.000 0.301 44 G HA3 0.291 4.253 3.960 0.005 0.000 0.301 44 G C 0.288 175.178 174.900 -0.017 0.000 1.240 44 G CA -0.031 45.062 45.100 -0.013 0.000 0.970 44 G HN 0.398 nan 8.290 nan 0.000 0.574 45 N N -0.531 118.155 118.700 -0.024 0.000 2.809 45 N HA -0.216 4.527 4.740 0.005 0.000 0.244 45 N C 0.684 176.171 175.510 -0.039 0.000 1.018 45 N CA 1.265 54.297 53.050 -0.031 0.000 0.917 45 N CB -0.980 37.492 38.487 -0.025 0.000 1.130 45 N HN 0.607 nan 8.380 nan 0.000 0.591 46 Q N 0.522 120.301 119.800 -0.034 0.000 2.352 46 Q HA 0.190 4.533 4.340 0.005 0.000 0.260 46 Q C 0.076 176.029 176.000 -0.078 0.000 0.976 46 Q CA -0.155 55.627 55.803 -0.035 0.000 0.881 46 Q CB 0.653 29.382 28.738 -0.015 0.000 1.235 46 Q HN 0.256 nan 8.270 nan 0.000 0.419 47 R N 1.791 122.227 120.500 -0.107 0.000 2.641 47 R HA 0.310 4.653 4.340 0.005 0.000 0.269 47 R C -0.248 175.843 176.300 -0.348 0.000 1.074 47 R CA -0.167 55.778 56.100 -0.257 0.000 1.133 47 R CB 0.581 30.687 30.300 -0.323 0.000 1.029 47 R HN 0.300 nan 8.270 nan 0.000 0.488 48 R N 2.140 122.361 120.500 -0.465 0.000 2.564 48 R HA 0.272 4.615 4.340 0.005 0.000 0.284 48 R C -1.400 174.648 176.300 -0.420 0.000 1.031 48 R CA -0.842 55.056 56.100 -0.337 0.000 0.904 48 R CB 1.452 31.670 30.300 -0.137 0.000 1.199 48 R HN 0.551 nan 8.270 nan 0.000 0.443 49 Y N 0.703 121.030 120.300 0.046 0.000 2.420 49 Y HA 0.407 4.960 4.550 0.005 0.000 0.334 49 Y C 0.824 176.752 175.900 0.047 0.000 1.094 49 Y CA -0.759 57.372 58.100 0.051 0.000 1.126 49 Y CB 1.739 40.239 38.460 0.068 0.000 1.217 49 Y HN 0.136 nan 8.280 nan 0.000 0.462 50 K N 3.634 124.167 120.400 0.222 0.000 2.292 50 K HA 0.115 4.438 4.320 0.005 0.000 0.290 50 K C 0.716 177.406 176.600 0.150 0.000 1.083 50 K CA -0.250 56.123 56.287 0.144 0.000 0.918 50 K CB 0.402 32.975 32.500 0.121 0.000 1.089 50 K HN 0.708 nan 8.250 nan 0.000 0.473 51 R N 1.824 122.392 120.500 0.114 0.000 2.386 51 R HA -0.328 4.015 4.340 0.005 0.000 0.252 51 R C 1.128 177.478 176.300 0.084 0.000 1.058 51 R CA 2.251 58.402 56.100 0.084 0.000 0.938 51 R CB -0.798 29.531 30.300 0.048 0.000 0.931 51 R HN 0.759 nan 8.270 nan 0.000 0.455 52 D N 0.317 120.773 120.400 0.093 0.000 2.218 52 D HA -0.154 4.489 4.640 0.005 0.000 0.194 52 D C 1.778 178.197 176.300 0.198 0.000 1.007 52 D CA 1.218 55.279 54.000 0.103 0.000 0.879 52 D CB -0.210 40.697 40.800 0.178 0.000 0.918 52 D HN 0.110 nan 8.370 nan 0.000 0.449 53 V N 0.095 120.157 119.914 0.247 0.000 2.380 53 V HA -0.271 3.851 4.120 0.005 0.000 0.251 53 V C 2.499 178.697 176.094 0.173 0.000 1.063 53 V CA 1.521 63.978 62.300 0.262 0.000 1.055 53 V CB -0.314 31.577 31.823 0.113 0.000 0.657 53 V HN 0.294 nan 8.190 nan 0.000 0.455 54 L N -0.655 120.619 121.223 0.084 0.000 2.013 54 L HA -0.246 4.097 4.340 0.005 0.000 0.212 54 L C 2.777 179.662 176.870 0.025 0.000 1.073 54 L CA 2.256 57.121 54.840 0.041 0.000 0.753 54 L CB -0.634 41.434 42.059 0.015 0.000 0.890 54 L HN 0.266 nan 8.230 nan 0.000 0.432 55 R N -1.384 119.091 120.500 -0.042 0.000 2.081 55 R HA -0.177 4.166 4.340 0.005 0.000 0.235 55 R C 2.300 178.531 176.300 -0.114 0.000 1.131 55 R CA 1.545 57.559 56.100 -0.144 0.000 0.960 55 R CB -0.463 29.658 30.300 -0.298 0.000 0.856 55 R HN 0.263 nan 8.270 nan 0.000 0.436 56 Y N 0.377 120.705 120.300 0.047 0.000 2.089 56 Y HA -0.232 4.321 4.550 0.005 0.000 0.282 56 Y C 2.485 178.486 175.900 0.167 0.000 1.139 56 Y CA 1.214 59.382 58.100 0.113 0.000 1.123 56 Y CB -0.796 37.707 38.460 0.072 0.000 0.980 56 Y HN -0.214 nan 8.280 nan 0.000 0.493 57 V N 0.077 120.151 119.914 0.267 0.000 2.282 57 V HA -0.405 3.718 4.120 0.005 0.000 0.249 57 V C 2.544 178.723 176.094 0.140 0.000 1.057 57 V CA 1.916 64.316 62.300 0.167 0.000 1.032 57 V CB -1.546 30.366 31.823 0.147 0.000 0.645 57 V HN 0.505 nan 8.190 nan 0.000 0.447 58 A N -0.239 122.654 122.820 0.121 0.000 1.917 58 A HA -0.240 4.083 4.320 0.005 0.000 0.219 58 A C 2.184 179.867 177.584 0.166 0.000 1.182 58 A CA 2.329 54.429 52.037 0.104 0.000 0.633 58 A CB -0.611 18.421 19.000 0.053 0.000 0.819 58 A HN 0.547 nan 8.150 nan 0.000 0.448 59 I N -0.532 120.185 120.570 0.244 0.000 2.315 59 I HA -0.222 3.951 4.170 0.005 0.000 0.248 59 I C 2.257 178.585 176.117 0.351 0.000 1.117 59 I CA 1.070 62.622 61.300 0.420 0.000 1.404 59 I CB -0.289 38.045 38.000 0.557 0.000 1.071 59 I HN 0.315 nan 8.210 nan 0.000 0.419 60 I N 0.782 121.489 120.570 0.228 0.000 2.208 60 I HA -0.319 3.853 4.170 0.005 0.000 0.245 60 I C 2.459 178.543 176.117 -0.056 0.000 1.097 60 I CA 1.580 62.874 61.300 -0.009 0.000 1.363 60 I CB -0.369 37.505 38.000 -0.210 0.000 1.051 60 I HN 0.193 nan 8.210 nan 0.000 0.413 61 K N 0.643 121.055 120.400 0.021 0.000 2.097 61 K HA -0.073 4.250 4.320 0.005 0.000 0.205 61 K C 2.072 178.675 176.600 0.005 0.000 1.050 61 K CA 1.227 57.525 56.287 0.019 0.000 0.938 61 K CB -0.071 32.464 32.500 0.057 0.000 0.718 61 K HN 0.306 nan 8.250 nan 0.000 0.442 62 I N 1.054 121.662 120.570 0.064 0.000 2.252 62 I HA -0.242 3.930 4.170 0.005 0.000 0.245 62 I C 2.509 178.576 176.117 -0.082 0.000 1.102 62 I CA 0.938 62.285 61.300 0.077 0.000 1.385 62 I CB -0.394 37.752 38.000 0.243 0.000 1.064 62 I HN 0.111 nan 8.210 nan 0.000 0.414 63 A N 0.376 123.037 122.820 -0.264 0.000 1.940 63 A HA -0.233 4.090 4.320 0.005 0.000 0.219 63 A C 2.304 179.590 177.584 -0.496 0.000 1.176 63 A CA 1.449 52.993 52.037 -0.821 0.000 0.631 63 A CB -0.493 17.809 19.000 -1.163 0.000 0.814 63 A HN 0.452 nan 8.150 nan 0.000 0.446 64 Q N -0.643 118.990 119.800 -0.277 0.000 2.050 64 Q HA -0.164 4.179 4.340 0.005 0.000 0.202 64 Q C 2.317 178.234 176.000 -0.139 0.000 0.980 64 Q CA 1.402 57.098 55.803 -0.178 0.000 0.840 64 Q CB -0.311 28.373 28.738 -0.089 0.000 0.898 64 Q HN 0.658 nan 8.270 nan 0.000 0.424 65 R N 0.382 120.821 120.500 -0.102 0.000 2.103 65 R HA -0.130 4.213 4.340 0.005 0.000 0.242 65 R C 2.277 178.525 176.300 -0.088 0.000 1.142 65 R CA 1.149 57.210 56.100 -0.065 0.000 0.960 65 R CB -0.241 30.043 30.300 -0.027 0.000 0.858 65 R HN 0.247 nan 8.270 nan 0.000 0.439 66 I N -0.512 119.975 120.570 -0.138 0.000 2.530 66 I HA -0.107 4.066 4.170 0.005 0.000 0.257 66 I C 1.477 177.503 176.117 -0.151 0.000 1.179 66 I CA 1.620 62.832 61.300 -0.147 0.000 1.440 66 I CB -1.144 36.710 38.000 -0.244 0.000 1.087 66 I HN 0.536 nan 8.210 nan 0.000 0.440 67 G N 1.327 110.028 108.800 -0.166 0.000 2.131 67 G HA2 -0.218 3.745 3.960 0.005 0.000 0.201 67 G HA3 -0.218 3.745 3.960 0.005 0.000 0.201 67 G C 0.169 174.970 174.900 -0.165 0.000 1.000 67 G CA -0.325 44.696 45.100 -0.132 0.000 0.680 67 G HN 0.333 nan 8.290 nan 0.000 0.514 68 I N 2.640 123.054 120.570 -0.260 0.000 2.365 68 I HA 0.336 4.509 4.170 0.005 0.000 0.291 68 I C -1.367 174.617 176.117 -0.223 0.000 1.004 68 I CA -2.312 58.814 61.300 -0.290 0.000 1.311 68 I CB 1.353 39.035 38.000 -0.530 0.000 1.401 68 I HN -0.048 nan 8.210 nan 0.000 0.491 69 P HA 0.145 nan 4.420 nan 0.000 0.275 69 P C 0.795 178.023 177.300 -0.121 0.000 1.227 69 P CA -0.347 62.692 63.100 -0.101 0.000 0.781 69 P CB 1.354 33.016 31.700 -0.062 0.000 0.906 70 L N 2.486 123.658 121.223 -0.085 0.000 1.997 70 L HA -0.311 4.032 4.340 0.005 0.000 0.216 70 L C 2.669 179.463 176.870 -0.127 0.000 1.074 70 L CA 2.422 57.193 54.840 -0.115 0.000 0.763 70 L CB -1.379 40.666 42.059 -0.023 0.000 0.890 70 L HN 0.428 nan 8.230 nan 0.000 0.434 71 A N -0.514 122.263 122.820 -0.071 0.000 1.903 71 A HA -0.273 4.050 4.320 0.005 0.000 0.219 71 A C 2.350 179.893 177.584 -0.069 0.000 1.191 71 A CA 2.724 54.725 52.037 -0.059 0.000 0.638 71 A CB -1.091 17.894 19.000 -0.026 0.000 0.823 71 A HN 0.438 nan 8.150 nan 0.000 0.451 72 T N -0.003 114.509 114.554 -0.071 0.000 2.821 72 T HA -0.042 4.311 4.350 0.005 0.000 0.267 72 T C 1.712 176.367 174.700 -0.075 0.000 1.046 72 T CA 1.377 63.445 62.100 -0.054 0.000 1.139 72 T CB -0.386 68.449 68.868 -0.056 0.000 0.871 72 T HN 0.442 nan 8.240 nan 0.000 0.454 73 I N 0.860 121.322 120.570 -0.179 0.000 2.493 73 I HA -0.061 4.112 4.170 0.005 0.000 0.254 73 I C 2.684 178.519 176.117 -0.470 0.000 1.160 73 I CA 1.003 62.113 61.300 -0.317 0.000 1.445 73 I CB -0.402 37.322 38.000 -0.460 0.000 1.086 73 I HN 0.289 nan 8.210 nan 0.000 0.433 74 G N -0.122 108.517 108.800 -0.269 0.000 2.426 74 G HA2 -0.158 3.804 3.960 0.005 0.000 0.214 74 G HA3 -0.158 3.804 3.960 0.005 0.000 0.214 74 G C 1.482 176.382 174.900 0.000 0.000 1.156 74 G CA 0.072 45.091 45.100 -0.135 0.000 0.802 74 G HN 0.322 nan 8.290 nan 0.000 0.534 75 E N 0.104 120.298 120.200 -0.010 0.000 2.331 75 E HA -0.017 4.335 4.350 0.005 0.000 0.199 75 E C 2.492 179.138 176.600 0.077 0.000 1.008 75 E CA 0.693 57.112 56.400 0.032 0.000 0.843 75 E CB -0.004 29.708 29.700 0.019 0.000 0.761 75 E HN 0.448 nan 8.360 nan 0.000 0.507 76 A N -0.398 122.486 122.820 0.107 0.000 2.140 76 A HA 0.045 4.368 4.320 0.005 0.000 0.209 76 A C 1.361 179.143 177.584 0.329 0.000 1.181 76 A CA -0.053 52.096 52.037 0.187 0.000 0.824 76 A CB 0.045 19.198 19.000 0.255 0.000 0.879 76 A HN 0.156 nan 8.150 nan 0.000 0.480 77 F N 0.237 120.234 119.950 0.079 0.000 2.661 77 F HA 0.256 4.786 4.527 0.004 0.000 0.298 77 F C 2.030 177.850 175.800 0.033 0.000 1.137 77 F CA 0.304 58.344 58.000 0.067 0.000 1.454 77 F CB -0.695 38.340 39.000 0.058 0.000 1.103 77 F HN 0.398 nan 8.300 nan 0.000 0.577 78 G N 0.194 109.114 108.800 0.200 0.000 2.779 78 G HA2 -0.265 3.698 3.960 0.005 0.000 0.284 78 G HA3 -0.265 3.698 3.960 0.005 0.000 0.284 78 G C -0.078 174.873 174.900 0.085 0.000 1.326 78 G CA 0.133 45.296 45.100 0.105 0.000 0.983 78 G HN 0.230 nan 8.290 nan 0.000 0.555 86 L N 3.421 124.672 121.223 0.046 0.000 2.280 86 L HA 0.759 5.102 4.340 0.005 0.000 0.287 86 L C 0.660 177.506 176.870 -0.041 0.000 1.023 86 L CA -0.273 54.553 54.840 -0.023 0.000 0.819 86 L CB 1.343 43.276 42.059 -0.210 0.000 1.212 86 L HN 0.384 nan 8.230 nan 0.000 0.420 87 S N 3.617 119.308 115.700 -0.016 0.000 2.646 87 S HA 0.678 5.151 4.470 0.005 0.000 0.273 87 S C 1.093 175.702 174.600 0.015 0.000 1.168 87 S CA -0.110 58.086 58.200 -0.006 0.000 1.013 87 S CB 1.084 64.286 63.200 0.003 0.000 1.098 87 S HN 0.748 nan 8.310 nan 0.000 0.544 88 A N 0.386 123.221 122.820 0.024 0.000 1.943 88 A HA 0.279 4.602 4.320 0.005 0.000 0.213 88 A C 2.309 179.947 177.584 0.090 0.000 1.181 88 A CA 1.216 53.289 52.037 0.059 0.000 0.653 88 A CB -1.638 17.380 19.000 0.031 0.000 0.833 88 A HN 1.061 nan 8.150 nan 0.000 0.451 89 K N -0.579 119.845 120.400 0.040 0.000 2.025 89 K HA -0.032 4.291 4.320 0.005 0.000 0.207 89 K C 2.159 178.758 176.600 -0.003 0.000 1.049 89 K CA 2.312 58.607 56.287 0.014 0.000 0.933 89 K CB -1.667 30.832 32.500 -0.001 0.000 0.714 89 K HN 0.748 nan 8.250 nan 0.000 0.438 90 E N 0.418 120.622 120.200 0.007 0.000 2.048 90 E HA -0.261 4.092 4.350 0.005 0.000 0.202 90 E C 1.935 178.515 176.600 -0.034 0.000 1.021 90 E CA 1.813 58.203 56.400 -0.017 0.000 0.825 90 E CB -1.428 28.268 29.700 -0.005 0.000 0.756 90 E HN 0.772 nan 8.360 nan 0.000 0.454 91 W N 1.723 122.938 121.300 -0.142 0.000 2.305 91 W HA -0.346 4.317 4.660 0.004 0.000 0.308 91 W C 2.558 178.979 176.519 -0.163 0.000 1.226 91 W CA 3.640 60.889 57.345 -0.160 0.000 1.253 91 W CB -0.366 29.018 29.460 -0.127 0.000 1.146 91 W HN 0.452 nan 8.180 nan 0.000 0.507 92 K N 0.518 120.771 120.400 -0.246 0.000 2.148 92 K HA -0.176 4.147 4.320 0.005 0.000 0.204 92 K C 2.110 178.500 176.600 -0.350 0.000 1.050 92 K CA 2.747 58.835 56.287 -0.332 0.000 0.942 92 K CB -1.560 30.878 32.500 -0.103 0.000 0.724 92 K HN 0.572 nan 8.250 nan 0.000 0.446 93 Q N 0.749 120.385 119.800 -0.274 0.000 2.046 93 Q HA 0.121 4.464 4.340 0.005 0.000 0.200 93 Q C 2.454 178.214 176.000 -0.400 0.000 0.975 93 Q CA 1.557 57.211 55.803 -0.248 0.000 0.836 93 Q CB -0.631 28.013 28.738 -0.156 0.000 0.896 93 Q HN 0.657 nan 8.270 nan 0.000 0.428 94 L N 1.074 121.961 121.223 -0.561 0.000 1.961 94 L HA -0.167 4.176 4.340 0.005 0.000 0.209 94 L C 3.065 179.216 176.870 -1.198 0.000 1.075 94 L CA 1.698 55.943 54.840 -0.992 0.000 0.749 94 L CB -0.804 40.639 42.059 -1.027 0.000 0.890 94 L HN 0.635 nan 8.230 nan 0.000 0.433 95 S N 0.297 115.279 115.700 -1.197 0.000 2.390 95 S HA -0.330 4.143 4.470 0.005 0.000 0.234 95 S C 2.162 176.480 174.600 -0.470 0.000 1.063 95 S CA 2.304 59.944 58.200 -0.932 0.000 1.108 95 S CB -1.165 61.266 63.200 -1.282 0.000 0.975 95 S HN 0.592 nan 8.310 nan 0.000 0.442 96 S N 1.995 117.445 115.700 -0.417 0.000 2.348 96 S HA -0.276 4.197 4.470 0.005 0.000 0.221 96 S C 2.195 176.708 174.600 -0.146 0.000 1.033 96 S CA 1.397 59.466 58.200 -0.218 0.000 1.010 96 S CB -1.237 61.852 63.200 -0.185 0.000 0.891 96 S HN 0.762 nan 8.310 nan 0.000 0.442 97 Q N -0.798 118.873 119.800 -0.214 0.000 2.325 97 Q HA -0.173 4.170 4.340 0.005 0.000 0.211 97 Q C 1.355 177.442 176.000 0.145 0.000 0.988 97 Q CA 1.787 57.536 55.803 -0.091 0.000 0.887 97 Q CB -0.163 28.468 28.738 -0.178 0.000 0.915 97 Q HN 0.796 nan 8.270 nan 0.000 0.440 98 W N -0.081 121.160 121.300 -0.099 0.000 2.640 98 W HA 0.151 4.813 4.660 0.004 0.000 0.271 98 W C 2.223 178.701 176.519 -0.069 0.000 1.218 98 W CA 0.338 57.634 57.345 -0.080 0.000 1.382 98 W CB -0.666 28.739 29.460 -0.092 0.000 1.067 98 W HN 0.226 nan 8.180 nan 0.000 0.590 99 R N 1.529 122.110 120.500 0.136 0.000 2.200 99 R HA -0.178 4.165 4.340 0.005 0.000 0.234 99 R C 1.645 177.975 176.300 0.050 0.000 1.127 99 R CA 1.960 58.096 56.100 0.061 0.000 0.989 99 R CB -0.452 29.851 30.300 0.005 0.000 0.869 99 R HN -0.053 nan 8.270 nan 0.000 0.459 100 E N 0.617 120.852 120.200 0.058 0.000 2.016 100 E HA -0.081 4.271 4.350 0.005 0.000 0.190 100 E C 1.684 178.319 176.600 0.058 0.000 0.985 100 E CA 1.520 57.950 56.400 0.051 0.000 0.802 100 E CB -0.069 29.657 29.700 0.044 0.000 0.762 100 E HN 0.390 nan 8.360 nan 0.000 0.448 101 E N 0.379 120.623 120.200 0.073 0.000 2.085 101 E HA -0.182 4.171 4.350 0.005 0.000 0.194 101 E C 2.030 178.643 176.600 0.021 0.000 0.994 101 E CA 0.654 57.082 56.400 0.047 0.000 0.801 101 E CB -0.281 29.444 29.700 0.043 0.000 0.743 101 E HN 0.242 nan 8.360 nan 0.000 0.453 102 L N 1.480 122.716 121.223 0.023 0.000 2.187 102 L HA -0.211 4.132 4.340 0.005 0.000 0.213 102 L C 1.714 178.572 176.870 -0.021 0.000 1.100 102 L CA 1.730 56.568 54.840 -0.003 0.000 0.765 102 L CB -0.482 41.586 42.059 0.014 0.000 0.904 102 L HN 0.052 nan 8.230 nan 0.000 0.437 103 D N -0.545 119.851 120.400 -0.007 0.000 2.146 103 D HA -0.077 4.566 4.640 0.005 0.000 0.209 103 D C 2.391 178.688 176.300 -0.005 0.000 0.973 103 D CA 1.717 55.695 54.000 -0.036 0.000 0.860 103 D CB 0.293 41.103 40.800 0.017 0.000 1.015 103 D HN 0.191 nan 8.370 nan 0.000 0.465 104 R N 1.064 121.604 120.500 0.068 0.000 2.094 104 R HA -0.148 4.195 4.340 0.005 0.000 0.239 104 R C 2.429 178.769 176.300 0.067 0.000 1.137 104 R CA 2.283 58.446 56.100 0.105 0.000 0.943 104 R CB -1.487 28.855 30.300 0.069 0.000 0.850 104 R HN 0.245 nan 8.270 nan 0.000 0.433 105 R N -0.185 120.328 120.500 0.022 0.000 2.096 105 R HA -0.062 4.281 4.340 0.005 0.000 0.240 105 R C 2.499 178.794 176.300 -0.009 0.000 1.139 105 R CA 2.167 58.269 56.100 0.003 0.000 0.952 105 R CB -0.532 29.758 30.300 -0.016 0.000 0.854 105 R HN 0.580 nan 8.270 nan 0.000 0.436 106 I N -0.386 120.153 120.570 -0.051 0.000 2.163 106 I HA -0.334 3.839 4.170 0.005 0.000 0.243 106 I C 2.213 178.281 176.117 -0.082 0.000 1.085 106 I CA 1.304 62.546 61.300 -0.096 0.000 1.347 106 I CB -0.534 37.359 38.000 -0.178 0.000 1.044 106 I HN 0.359 nan 8.210 nan 0.000 0.408 107 H N 0.518 119.589 119.070 0.001 0.000 2.387 107 H HA -0.137 4.422 4.556 0.005 0.000 0.299 107 H C 2.398 177.726 175.328 -0.000 0.000 1.099 107 H CA 1.975 58.023 56.048 0.001 0.000 1.315 107 H CB -0.568 29.195 29.762 0.002 0.000 1.380 107 H HN 0.332 nan 8.280 nan 0.000 0.513 108 T N 1.341 115.965 114.554 0.117 0.000 2.708 108 T HA -0.116 4.237 4.350 0.005 0.000 0.266 108 T C 2.248 176.972 174.700 0.040 0.000 1.037 108 T CA 0.978 63.117 62.100 0.063 0.000 1.146 108 T CB -0.322 68.570 68.868 0.040 0.000 0.865 108 T HN 0.045 nan 8.240 nan 0.000 0.435 109 L N 0.854 122.091 121.223 0.024 0.000 2.083 109 L HA -0.025 4.318 4.340 0.005 0.000 0.209 109 L C 2.588 179.468 176.870 0.016 0.000 1.083 109 L CA 1.079 55.926 54.840 0.011 0.000 0.752 109 L CB -1.052 41.004 42.059 -0.004 0.000 0.899 109 L HN 0.143 nan 8.230 nan 0.000 0.433 110 V N -0.552 119.377 119.914 0.026 0.000 2.427 110 V HA -0.234 3.889 4.120 0.005 0.000 0.248 110 V C 2.680 178.799 176.094 0.041 0.000 1.051 110 V CA 1.364 63.684 62.300 0.034 0.000 1.048 110 V CB -1.117 30.738 31.823 0.053 0.000 0.666 110 V HN 0.470 nan 8.190 nan 0.000 0.456 111 A N -0.151 122.700 122.820 0.051 0.000 1.865 111 A HA -0.223 4.099 4.320 0.005 0.000 0.217 111 A C 2.287 179.885 177.584 0.023 0.000 1.191 111 A CA 2.090 54.150 52.037 0.037 0.000 0.623 111 A CB -0.664 18.357 19.000 0.034 0.000 0.826 111 A HN 0.451 nan 8.150 nan 0.000 0.444 112 L N -1.026 120.209 121.223 0.020 0.000 1.971 112 L HA -0.269 4.074 4.340 0.005 0.000 0.215 112 L C 2.866 179.742 176.870 0.011 0.000 1.072 112 L CA 2.211 57.058 54.840 0.013 0.000 0.758 112 L CB -0.431 41.634 42.059 0.010 0.000 0.889 112 L HN 0.498 nan 8.230 nan 0.000 0.433 113 R N -0.307 120.200 120.500 0.011 0.000 2.154 113 R HA -0.223 4.119 4.340 0.005 0.000 0.248 113 R C 1.776 178.082 176.300 0.010 0.000 1.155 113 R CA 2.097 58.203 56.100 0.009 0.000 0.979 113 R CB -0.171 30.134 30.300 0.009 0.000 0.869 113 R HN 0.501 nan 8.270 nan 0.000 0.452 114 D N -0.027 120.381 120.400 0.013 0.000 2.085 114 D HA -0.121 4.522 4.640 0.005 0.000 0.199 114 D C 1.787 178.092 176.300 0.009 0.000 0.981 114 D CA 1.134 55.141 54.000 0.012 0.000 0.834 114 D CB -0.309 40.500 40.800 0.015 0.000 0.992 114 D HN 0.339 nan 8.370 nan 0.000 0.457 115 E N 0.864 121.070 120.200 0.009 0.000 2.065 115 E HA -0.187 4.166 4.350 0.005 0.000 0.201 115 E C 2.332 178.935 176.600 0.005 0.000 1.016 115 E CA 0.482 56.886 56.400 0.007 0.000 0.818 115 E CB -0.262 29.442 29.700 0.006 0.000 0.749 115 E HN 0.206 nan 8.360 nan 0.000 0.453 116 L N 1.413 122.639 121.223 0.005 0.000 2.013 116 L HA -0.250 4.093 4.340 0.005 0.000 0.212 116 L C 1.976 178.848 176.870 0.004 0.000 1.073 116 L CA 1.581 56.424 54.840 0.004 0.000 0.753 116 L CB -0.353 41.708 42.059 0.004 0.000 0.890 116 L HN 0.166 nan 8.230 nan 0.000 0.432 117 D N -0.464 119.939 120.400 0.004 0.000 2.182 117 D HA -0.156 4.487 4.640 0.005 0.000 0.201 117 D C 1.902 178.204 176.300 0.003 0.000 0.986 117 D CA 1.436 55.438 54.000 0.004 0.000 0.847 117 D CB -0.106 40.697 40.800 0.005 0.000 0.942 117 D HN 0.527 nan 8.370 nan 0.000 0.467 118 G N 0.272 109.074 108.800 0.004 0.000 2.404 118 G HA2 -0.220 3.743 3.960 0.005 0.000 0.215 118 G HA3 -0.220 3.743 3.960 0.005 0.000 0.215 118 G C 1.785 176.686 174.900 0.002 0.000 1.174 118 G CA 0.649 45.751 45.100 0.003 0.000 0.780 118 G HN 0.319 nan 8.290 nan 0.000 0.537 119 C N 0.837 120.138 119.300 0.002 0.000 2.466 119 C HA 0.207 4.670 4.460 0.005 0.000 0.283 119 C C 2.629 177.620 174.990 0.002 0.000 1.472 119 C CA -0.214 58.805 59.018 0.002 0.000 1.765 119 C CB -1.244 26.497 27.740 0.002 0.000 1.724 119 C HN 0.439 nan 8.230 nan 0.000 0.560 120 I N 1.018 121.589 120.570 0.002 0.000 2.439 120 I HA -0.062 4.111 4.170 0.005 0.000 0.251 120 I C 2.489 178.606 176.117 0.001 0.000 1.139 120 I CA 1.691 62.992 61.300 0.001 0.000 1.438 120 I CB -0.518 37.483 38.000 0.002 0.000 1.085 120 I HN 0.446 nan 8.210 nan 0.000 0.427 121 G N -0.967 107.834 108.800 0.001 0.000 3.042 121 G HA2 -0.031 3.932 3.960 0.005 0.000 0.212 121 G HA3 -0.031 3.932 3.960 0.005 0.000 0.212 121 G C 1.025 175.926 174.900 0.001 0.000 1.166 121 G CA -0.041 45.059 45.100 0.001 0.000 0.767 121 G HN 0.353 nan 8.290 nan 0.000 0.546 122 C N -1.346 117.955 119.300 0.001 0.000 4.006 122 C HA 0.626 5.088 4.460 0.005 0.000 0.146 122 C C 2.344 177.334 174.990 0.001 0.000 2.288 122 C CA 1.623 60.641 59.018 0.001 0.000 1.236 122 C CB -0.003 27.738 27.740 0.001 0.000 1.909 122 C HN 0.982 nan 8.230 nan 0.000 0.523 123 G N -0.398 108.402 108.800 0.001 0.000 2.159 123 G HA2 -0.283 3.680 3.960 0.005 0.000 0.227 123 G HA3 -0.283 3.680 3.960 0.005 0.000 0.227 123 G C 0.894 175.795 174.900 0.000 0.000 0.986 123 G CA 0.813 45.913 45.100 0.000 0.000 0.651 123 G HN 1.372 nan 8.290 nan 0.000 0.523 124 C N -0.228 119.072 119.300 0.000 0.000 2.466 124 C HA 0.502 4.965 4.460 0.005 0.000 0.278 124 C C 2.022 177.013 174.990 0.000 0.000 1.288 124 C CA 0.937 59.955 59.018 0.000 0.000 1.722 124 C CB -1.189 26.551 27.740 0.000 0.000 2.017 124 C HN 1.386 nan 8.230 nan 0.000 0.488 125 L N 0.596 121.819 121.223 0.000 0.000 3.660 125 L HA -0.196 4.147 4.340 0.005 0.000 0.440 125 L C 0.773 177.643 176.870 0.000 0.000 1.262 125 L CA 0.319 55.159 54.840 0.000 0.000 0.837 125 L CB -2.609 39.451 42.059 0.000 0.000 1.689 125 L HN 0.734 nan 8.230 nan 0.000 0.890 126 S N 0.269 115.969 115.700 0.000 0.000 2.515 126 S HA 0.274 4.747 4.470 0.005 0.000 0.285 126 S C 1.363 175.963 174.600 0.000 0.000 1.265 126 S CA 0.235 58.435 58.200 0.000 0.000 1.079 126 S CB 0.608 63.809 63.200 0.000 0.000 0.877 126 S HN 0.443 nan 8.310 nan 0.000 0.493 127 R N 2.626 123.126 120.500 0.000 0.000 2.096 127 R HA -0.126 4.217 4.340 0.005 0.000 0.229 127 R C 2.291 178.591 176.300 0.000 0.000 1.134 127 R CA 1.862 57.962 56.100 0.000 0.000 0.917 127 R CB -0.636 29.664 30.300 0.000 0.000 0.832 127 R HN 0.805 nan 8.270 nan 0.000 0.430 128 S N 0.126 115.826 115.700 0.000 0.000 2.881 128 S HA -0.015 4.458 4.470 0.005 0.000 0.228 128 S C 0.350 174.950 174.600 -0.000 0.000 0.965 128 S CA 0.758 58.958 58.200 -0.000 0.000 0.998 128 S CB 0.154 63.354 63.200 -0.000 0.000 0.795 128 S HN 0.326 nan 8.310 nan 0.000 0.518 129 D N -1.134 119.266 120.400 0.000 0.000 2.475 129 D HA 0.124 4.767 4.640 0.005 0.000 0.306 129 D C -0.627 175.673 176.300 0.000 0.000 1.304 129 D CA -0.168 53.832 54.000 0.000 0.000 0.862 129 D CB 0.099 40.900 40.800 0.000 0.000 1.306 129 D HN 0.427 nan 8.370 nan 0.000 0.494 130 C N 1.438 120.738 119.300 0.001 0.000 2.382 130 C HA 0.525 4.987 4.460 0.005 0.000 0.327 130 C C -1.306 173.685 174.990 0.001 0.000 1.250 130 C CA -2.117 56.902 59.018 0.001 0.000 1.707 130 C CB 1.771 29.512 27.740 0.001 0.000 2.272 130 C HN -0.067 nan 8.230 nan 0.000 0.506 131 P HA -0.084 nan 4.420 nan 0.000 0.212 131 P C 1.705 179.006 177.300 0.002 0.000 1.180 131 P CA 1.096 64.197 63.100 0.002 0.000 0.906 131 P CB -0.038 31.663 31.700 0.003 0.000 0.782 132 L N -0.728 120.496 121.223 0.002 0.000 2.198 132 L HA -0.256 4.087 4.340 0.005 0.000 0.218 132 L C 2.314 179.185 176.870 0.002 0.000 1.084 132 L CA 1.928 56.770 54.840 0.002 0.000 0.779 132 L CB -0.935 41.125 42.059 0.002 0.000 0.890 132 L HN -0.002 nan 8.230 nan 0.000 0.439 133 R N -0.718 119.783 120.500 0.001 0.000 2.075 133 R HA 0.081 4.424 4.340 0.005 0.000 0.220 133 R C 0.159 176.459 176.300 0.001 0.000 1.118 133 R CA 0.777 56.877 56.100 0.001 0.000 0.986 133 R CB -0.114 30.186 30.300 0.001 0.000 0.884 133 R HN 0.443 nan 8.270 nan 0.000 0.439 134 N N 2.777 121.478 118.700 0.001 0.000 2.949 134 N HA 0.182 4.925 4.740 0.005 0.000 0.243 134 N C -2.337 173.173 175.510 0.001 0.000 1.113 134 N CA -1.350 51.700 53.050 0.001 0.000 0.980 134 N CB 0.290 38.777 38.487 0.000 0.000 1.256 134 N HN 0.103 nan 8.380 nan 0.000 0.508 135 P HA 0.000 nan 4.420 nan 0.000 0.216 135 P CA 0.000 63.101 63.100 0.002 0.000 0.800 135 P CB 0.000 31.702 31.700 0.003 0.000 0.726