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 1bo1_1_A DATA FIRST_RESID 34 DATA SEQUENCE KLFRASEPIL SVLMWGVNHT INELSNVPVP VMLMPDDFKA YSKIKVDNHL DATA SEQUENCE FNKENLPSRF KFKEYCPMVF RNLRERFGID DQDYQNSVTR SAPINSDSQX DATA SEQUENCE XXXTRFLTTY DRRFVIKTVS SEDVAEMHNI LKKYHQFIVE CHGNTLLPQF DATA SEQUENCE LGMYRLTVDG VETYMVVTRN VFSHRLTVHR KYDLKGSTVA REASDKEKAK DATA SEQUENCE DLPTFKDNDF LNEGQKLHVG EESKKNFLEK LKRDVEFLAQ LKIMDYSLLV DATA SEQUENCE GIHDVDRAEQ EEMEVEERAE DEEXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXFD PSVDVYAMKS HESSPKKEVY FMAIIDILTX XXXXXXXXXX DATA SEQUENCE XXXXXXXAGA EISTVNPEQY SKRFNEFMSN ILT 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 34 K HA 0.000 nan 4.320 nan 0.000 0.191 34 K C 0.000 176.470 176.600 -0.216 0.000 0.988 34 K CA 0.000 56.207 56.287 -0.134 0.000 0.838 34 K CB 0.000 32.379 32.500 -0.201 0.000 1.064 35 L N 5.968 127.127 121.223 -0.107 0.000 2.345 35 L HA 0.523 4.863 4.340 -0.000 0.000 0.274 35 L C -0.101 176.821 176.870 0.085 0.000 0.999 35 L CA -0.788 53.996 54.840 -0.092 0.000 0.849 35 L CB 0.816 42.838 42.059 -0.061 0.000 1.220 35 L HN 0.477 nan 8.230 nan 0.000 0.422 36 F N 2.146 122.067 119.950 -0.049 0.000 2.299 36 F HA 0.444 4.970 4.527 -0.000 0.000 0.293 36 F C 1.085 176.854 175.800 -0.052 0.000 1.252 36 F CA -0.929 57.041 58.000 -0.049 0.000 1.160 36 F CB 0.721 39.689 39.000 -0.054 0.000 1.405 36 F HN 0.466 nan 8.300 nan 0.000 0.517 37 R N -0.095 120.496 120.500 0.152 0.000 3.228 37 R HA 0.704 5.044 4.340 -0.000 0.000 0.229 37 R C -0.294 176.016 176.300 0.016 0.000 1.583 37 R CA -0.773 55.353 56.100 0.043 0.000 1.035 37 R CB 0.085 30.377 30.300 -0.013 0.000 1.696 37 R HN 0.641 nan 8.270 nan 0.000 0.523 38 A N -0.121 122.688 122.820 -0.017 0.000 2.717 38 A HA 0.394 4.714 4.320 -0.000 0.000 0.262 38 A C 1.243 178.809 177.584 -0.031 0.000 1.483 38 A CA 0.424 52.450 52.037 -0.018 0.000 0.889 38 A CB -0.175 18.814 19.000 -0.018 0.000 1.604 38 A HN 0.719 nan 8.150 nan 0.000 0.523 39 S N -0.681 115.005 115.700 -0.024 0.000 2.303 39 S HA 0.039 4.509 4.470 -0.000 0.000 0.207 39 S C 0.497 175.078 174.600 -0.033 0.000 1.025 39 S CA 0.611 58.795 58.200 -0.026 0.000 0.953 39 S CB -0.918 62.274 63.200 -0.014 0.000 0.932 39 S HN 0.654 nan 8.310 nan 0.000 0.472 40 E N 2.901 123.086 120.200 -0.026 0.000 2.414 40 E HA 0.121 4.471 4.350 -0.000 0.000 0.263 40 E C -1.923 174.647 176.600 -0.050 0.000 1.000 40 E CA -1.523 54.859 56.400 -0.030 0.000 0.914 40 E CB 0.484 30.174 29.700 -0.018 0.000 0.948 40 E HN 0.276 nan 8.360 nan 0.000 0.444 41 P HA -0.149 nan 4.420 nan 0.000 0.222 41 P C 0.719 177.951 177.300 -0.112 0.000 1.147 41 P CA 0.989 64.033 63.100 -0.094 0.000 0.790 41 P CB 0.154 31.807 31.700 -0.078 0.000 0.780 42 I N -1.617 118.911 120.570 -0.070 0.000 2.315 42 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 42 I C 2.199 178.282 176.117 -0.057 0.000 1.117 42 I CA 1.381 62.647 61.300 -0.056 0.000 1.404 42 I CB -1.006 36.981 38.000 -0.022 0.000 1.071 42 I HN -0.117 nan 8.210 nan 0.000 0.419 43 L N -0.344 120.849 121.223 -0.049 0.000 2.291 43 L HA -0.094 4.245 4.340 -0.000 0.000 0.214 43 L C 2.374 179.202 176.870 -0.070 0.000 1.120 43 L CA 0.900 55.715 54.840 -0.042 0.000 0.799 43 L CB -0.570 41.476 42.059 -0.022 0.000 0.925 43 L HN 0.235 nan 8.230 nan 0.000 0.446 44 S N -0.525 115.110 115.700 -0.108 0.000 2.406 44 S HA -0.069 4.401 4.470 -0.000 0.000 0.224 44 S C 1.987 176.454 174.600 -0.221 0.000 1.030 44 S CA 0.562 58.679 58.200 -0.139 0.000 0.958 44 S CB 0.128 63.232 63.200 -0.161 0.000 0.811 44 S HN 0.138 nan 8.310 nan 0.000 0.489 45 V N 2.053 121.779 119.914 -0.314 0.000 2.667 45 V HA -0.065 4.055 4.120 -0.000 0.000 0.252 45 V C 2.122 178.098 176.094 -0.196 0.000 1.065 45 V CA 1.049 63.076 62.300 -0.454 0.000 1.083 45 V CB -0.519 31.025 31.823 -0.464 0.000 0.692 45 V HN 0.343 nan 8.190 nan 0.000 0.468 46 L N -0.078 121.085 121.223 -0.100 0.000 2.007 46 L HA -0.097 4.242 4.340 -0.000 0.000 0.205 46 L C 2.285 179.030 176.870 -0.208 0.000 1.073 46 L CA 2.080 56.877 54.840 -0.072 0.000 0.744 46 L CB -0.572 41.470 42.059 -0.028 0.000 0.898 46 L HN 0.217 nan 8.230 nan 0.000 0.435 47 M N -2.057 117.460 119.600 -0.138 0.000 2.149 47 M HA -0.255 4.224 4.480 -0.000 0.000 0.261 47 M C 2.184 178.396 176.300 -0.147 0.000 1.064 47 M CA 2.364 57.584 55.300 -0.132 0.000 1.102 47 M CB -0.771 31.788 32.600 -0.070 0.000 1.369 47 M HN 0.516 nan 8.290 nan 0.000 0.408 48 W N 0.859 121.955 121.300 -0.340 0.000 2.388 48 W HA -0.039 4.621 4.660 -0.000 0.000 0.294 48 W C 2.183 178.429 176.519 -0.455 0.000 1.212 48 W CA 1.565 58.718 57.345 -0.320 0.000 1.271 48 W CB -0.341 28.915 29.460 -0.340 0.000 1.126 48 W HN 0.145 nan 8.180 nan 0.000 0.535 49 G N -0.043 108.476 108.800 -0.468 0.000 2.394 49 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.214 49 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.214 49 G C 1.285 175.681 174.900 -0.839 0.000 1.176 49 G CA 1.389 45.583 45.100 -1.510 0.000 0.786 49 G HN 0.169 nan 8.290 nan 0.000 0.533 50 V N 1.504 121.072 119.914 -0.576 0.000 2.759 50 V HA -0.155 3.965 4.120 -0.000 0.000 0.256 50 V C 2.478 178.448 176.094 -0.208 0.000 1.080 50 V CA 1.641 63.768 62.300 -0.288 0.000 1.101 50 V CB -0.325 31.308 31.823 -0.317 0.000 0.698 50 V HN 0.494 nan 8.190 nan 0.000 0.477 51 N N 0.010 118.534 118.700 -0.293 0.000 2.220 51 N HA -0.182 4.558 4.740 -0.000 0.000 0.182 51 N C 2.005 177.340 175.510 -0.292 0.000 1.023 51 N CA 1.476 54.369 53.050 -0.261 0.000 0.856 51 N CB 0.012 38.326 38.487 -0.289 0.000 0.997 51 N HN 0.629 nan 8.380 nan 0.000 0.429 52 H N 0.618 119.349 119.070 -0.566 0.000 2.293 52 H HA -0.067 4.489 4.556 -0.000 0.000 0.300 52 H C 2.195 177.384 175.328 -0.231 0.000 1.082 52 H CA 2.999 58.714 56.048 -0.555 0.000 1.308 52 H CB -0.605 28.580 29.762 -0.960 0.000 1.375 52 H HN 0.318 nan 8.280 nan 0.000 0.495 53 T N -1.653 112.815 114.554 -0.142 0.000 2.788 53 T HA -0.147 4.202 4.350 -0.000 0.000 0.268 53 T C 2.165 176.852 174.700 -0.023 0.000 1.044 53 T CA 1.521 63.620 62.100 -0.002 0.000 1.139 53 T CB -0.593 68.454 68.868 0.298 0.000 0.867 53 T HN 0.255 nan 8.240 nan 0.000 0.454 54 I N 2.357 122.921 120.570 -0.009 0.000 2.286 54 I HA -0.043 4.127 4.170 -0.000 0.000 0.245 54 I C 2.417 178.504 176.117 -0.050 0.000 1.104 54 I CA 1.209 62.522 61.300 0.020 0.000 1.397 54 I CB -0.404 37.636 38.000 0.066 0.000 1.072 54 I HN 0.337 nan 8.210 nan 0.000 0.417 55 N N -0.236 118.391 118.700 -0.122 0.000 2.106 55 N HA -0.234 4.506 4.740 -0.000 0.000 0.188 55 N C 1.781 177.202 175.510 -0.147 0.000 1.029 55 N CA 0.937 53.909 53.050 -0.129 0.000 0.848 55 N CB -0.064 38.327 38.487 -0.161 0.000 1.007 55 N HN 0.197 nan 8.380 nan 0.000 0.423 56 E N 1.250 121.303 120.200 -0.245 0.000 2.130 56 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 56 E C 1.742 178.280 176.600 -0.103 0.000 0.998 56 E CA 0.905 57.171 56.400 -0.224 0.000 0.806 56 E CB -0.171 29.325 29.700 -0.339 0.000 0.738 56 E HN 0.317 nan 8.360 nan 0.000 0.459 57 L N 0.160 121.343 121.223 -0.067 0.000 2.217 57 L HA -0.113 4.227 4.340 -0.000 0.000 0.211 57 L C 2.234 179.090 176.870 -0.023 0.000 1.107 57 L CA 1.152 55.977 54.840 -0.024 0.000 0.783 57 L CB -0.360 41.704 42.059 0.009 0.000 0.919 57 L HN 0.222 nan 8.230 nan 0.000 0.442 58 S N -0.855 114.826 115.700 -0.032 0.000 2.507 58 S HA -0.098 4.371 4.470 -0.000 0.000 0.235 58 S C 1.445 176.032 174.600 -0.023 0.000 0.988 58 S CA 0.927 59.114 58.200 -0.022 0.000 0.944 58 S CB -0.236 62.949 63.200 -0.025 0.000 0.762 58 S HN 0.469 nan 8.310 nan 0.000 0.526 59 N N 0.833 119.515 118.700 -0.030 0.000 2.322 59 N HA 0.135 4.875 4.740 -0.000 0.000 0.181 59 N C 0.153 175.651 175.510 -0.019 0.000 1.088 59 N CA 0.440 53.475 53.050 -0.024 0.000 0.885 59 N CB 0.985 39.455 38.487 -0.028 0.000 1.013 59 N HN 0.445 nan 8.380 nan 0.000 0.472 60 V N 4.099 124.001 119.914 -0.020 0.000 2.334 60 V HA 0.347 4.467 4.120 -0.000 0.000 0.267 60 V C -2.243 173.843 176.094 -0.014 0.000 1.040 60 V CA -1.874 60.416 62.300 -0.016 0.000 0.866 60 V CB 0.772 32.585 31.823 -0.016 0.000 1.019 60 V HN -0.033 nan 8.190 nan 0.000 0.468 61 P HA -0.032 nan 4.420 nan 0.000 0.266 61 P C -0.157 177.135 177.300 -0.014 0.000 1.186 61 P CA 0.229 63.322 63.100 -0.011 0.000 0.767 61 P CB 0.549 32.243 31.700 -0.010 0.000 0.820 62 V N 5.094 125.001 119.914 -0.013 0.000 2.439 62 V HA 0.116 4.236 4.120 -0.000 0.000 0.271 62 V C -0.903 175.182 176.094 -0.016 0.000 1.040 62 V CA -0.994 61.296 62.300 -0.016 0.000 1.002 62 V CB -0.091 31.724 31.823 -0.014 0.000 1.000 62 V HN 0.670 nan 8.190 nan 0.000 0.477 63 P HA 0.159 nan 4.420 nan 0.000 0.272 63 P C 0.948 178.241 177.300 -0.011 0.000 1.230 63 P CA -0.228 62.863 63.100 -0.015 0.000 0.788 63 P CB 1.451 33.138 31.700 -0.021 0.000 0.949 64 V N 0.600 120.510 119.914 -0.006 0.000 2.515 64 V HA -0.108 4.011 4.120 -0.000 0.000 0.250 64 V C 1.362 177.456 176.094 0.001 0.000 1.058 64 V CA 2.139 64.437 62.300 -0.003 0.000 1.064 64 V CB -0.998 30.825 31.823 -0.001 0.000 0.675 64 V HN 0.709 nan 8.190 nan 0.000 0.461 65 M N -2.241 117.361 119.600 0.004 0.000 2.682 65 M HA 0.508 4.988 4.480 -0.000 0.000 0.272 65 M C -1.833 174.476 176.300 0.015 0.000 1.232 65 M CA -0.765 54.545 55.300 0.018 0.000 0.849 65 M CB 2.275 34.891 32.600 0.026 0.000 1.695 65 M HN -0.223 nan 8.290 nan 0.000 0.481 66 L N 2.966 124.208 121.223 0.032 0.000 2.281 66 L HA 0.389 4.729 4.340 -0.000 0.000 0.285 66 L C -0.092 176.844 176.870 0.109 0.000 1.074 66 L CA -0.560 54.294 54.840 0.024 0.000 0.817 66 L CB 1.265 43.301 42.059 -0.038 0.000 1.168 66 L HN 0.678 nan 8.230 nan 0.000 0.434 67 M N 5.480 125.127 119.600 0.078 0.000 2.202 67 M HA 0.189 4.669 4.480 -0.000 0.000 0.316 67 M C -1.080 175.334 176.300 0.191 0.000 1.138 67 M CA -2.242 53.115 55.300 0.096 0.000 1.151 67 M CB 0.444 33.075 32.600 0.052 0.000 1.422 67 M HN 0.282 nan 8.290 nan 0.000 0.471 68 P HA -0.163 nan 4.420 nan 0.000 0.218 68 P C 0.541 177.979 177.300 0.230 0.000 1.149 68 P CA 1.357 64.552 63.100 0.160 0.000 0.817 68 P CB 0.152 31.881 31.700 0.047 0.000 0.785 69 D N 0.296 120.782 120.400 0.144 0.000 2.178 69 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 69 D C 1.512 177.879 176.300 0.112 0.000 0.980 69 D CA 0.904 54.971 54.000 0.112 0.000 0.842 69 D CB -0.543 40.291 40.800 0.057 0.000 0.948 69 D HN 0.165 nan 8.370 nan 0.000 0.472 70 D N -0.318 120.126 120.400 0.073 0.000 2.311 70 D HA -0.144 4.496 4.640 -0.000 0.000 0.212 70 D C 1.187 177.349 176.300 -0.231 0.000 0.972 70 D CA 0.531 54.465 54.000 -0.110 0.000 0.887 70 D CB -0.155 40.490 40.800 -0.258 0.000 0.915 70 D HN 0.317 nan 8.370 nan 0.000 0.497 71 F N 0.184 120.135 119.950 0.001 0.000 2.732 71 F HA 0.200 4.727 4.527 -0.000 0.000 0.303 71 F C 1.848 177.731 175.800 0.138 0.000 1.110 71 F CA 0.197 58.213 58.000 0.028 0.000 1.355 71 F CB 0.375 39.367 39.000 -0.012 0.000 1.081 71 F HN -0.201 nan 8.300 nan 0.000 0.565 72 K N -0.530 120.019 120.400 0.247 0.000 2.491 72 K HA 0.391 4.711 4.320 -0.000 0.000 0.211 72 K C 0.885 177.622 176.600 0.229 0.000 1.210 72 K CA 0.035 56.451 56.287 0.215 0.000 1.003 72 K CB 0.717 33.308 32.500 0.152 0.000 1.009 72 K HN 0.062 nan 8.250 nan 0.000 0.577 73 A N 1.268 124.198 122.820 0.183 0.000 2.280 73 A HA 0.505 4.825 4.320 -0.000 0.000 0.268 73 A C -0.465 177.306 177.584 0.311 0.000 1.111 73 A CA 0.043 52.166 52.037 0.143 0.000 0.814 73 A CB -0.028 18.996 19.000 0.040 0.000 1.093 73 A HN 0.288 nan 8.150 nan 0.000 0.498 74 Y N -2.594 117.763 120.300 0.096 0.000 2.732 74 Y HA 0.578 5.127 4.550 -0.000 0.000 0.342 74 Y C -0.593 175.342 175.900 0.059 0.000 1.203 74 Y CA -0.654 57.501 58.100 0.091 0.000 1.092 74 Y CB 0.497 39.018 38.460 0.102 0.000 1.345 74 Y HN 1.002 nan 8.280 nan 0.000 0.458 75 S N 1.419 117.270 115.700 0.252 0.000 2.500 75 S HA 0.777 5.247 4.470 -0.000 0.000 0.301 75 S C -1.328 173.435 174.600 0.271 0.000 1.092 75 S CA -0.842 57.465 58.200 0.178 0.000 1.030 75 S CB 2.064 65.371 63.200 0.178 0.000 1.031 75 S HN 0.825 nan 8.310 nan 0.000 0.483 76 K N 2.065 122.608 120.400 0.238 0.000 2.443 76 K HA 0.701 5.020 4.320 -0.000 0.000 0.252 76 K C -1.902 174.817 176.600 0.198 0.000 0.933 76 K CA -0.674 55.749 56.287 0.228 0.000 0.792 76 K CB 1.132 33.793 32.500 0.267 0.000 1.185 76 K HN 0.725 nan 8.250 nan 0.000 0.425 77 I N 2.903 123.600 120.570 0.212 0.000 2.499 77 I HA 0.348 4.518 4.170 -0.000 0.000 0.288 77 I C -0.818 175.326 176.117 0.045 0.000 1.048 77 I CA -0.500 60.901 61.300 0.169 0.000 1.062 77 I CB 1.973 40.143 38.000 0.284 0.000 1.238 77 I HN 0.353 nan 8.210 nan 0.000 0.426 78 K N 5.834 126.204 120.400 -0.050 0.000 2.449 78 K HA 0.696 5.016 4.320 -0.000 0.000 0.257 78 K C -1.529 174.893 176.600 -0.297 0.000 0.989 78 K CA -0.473 55.715 56.287 -0.165 0.000 0.916 78 K CB 1.333 33.776 32.500 -0.095 0.000 1.136 78 K HN 0.493 nan 8.250 nan 0.000 0.439 79 V N 3.732 123.275 119.914 -0.618 0.000 2.481 79 V HA 0.328 4.448 4.120 -0.000 0.000 0.286 79 V C -0.540 175.222 176.094 -0.554 0.000 1.042 79 V CA -0.546 61.312 62.300 -0.737 0.000 0.928 79 V CB 1.605 32.516 31.823 -1.520 0.000 0.986 79 V HN 0.777 nan 8.190 nan 0.000 0.462 80 D N 3.588 123.810 120.400 -0.298 0.000 2.381 80 D HA 0.232 4.872 4.640 -0.000 0.000 0.245 80 D C -0.689 175.580 176.300 -0.052 0.000 1.297 80 D CA -0.250 53.653 54.000 -0.162 0.000 0.931 80 D CB 0.997 41.727 40.800 -0.116 0.000 1.334 80 D HN 0.575 nan 8.370 nan 0.000 0.535 81 N N 0.874 119.577 118.700 0.004 0.000 2.434 81 N HA 0.115 4.854 4.740 -0.000 0.000 0.272 81 N C -0.324 175.298 175.510 0.186 0.000 1.040 81 N CA -0.354 52.783 53.050 0.145 0.000 0.956 81 N CB 1.723 40.363 38.487 0.254 0.000 1.108 81 N HN 0.343 nan 8.380 nan 0.000 0.481 82 H N 4.253 123.370 119.070 0.079 0.000 2.594 82 H HA 0.154 4.710 4.556 -0.001 0.000 0.304 82 H C 0.476 175.863 175.328 0.098 0.000 1.068 82 H CA -0.508 55.574 56.048 0.057 0.000 1.308 82 H CB 0.435 30.211 29.762 0.024 0.000 1.409 82 H HN 0.665 nan 8.280 nan 0.000 0.460 83 L N 4.113 125.254 121.223 -0.136 0.000 4.137 83 L HA -0.323 4.017 4.340 -0.000 0.000 0.421 83 L C -0.808 176.079 176.870 0.029 0.000 1.162 83 L CA 0.585 55.332 54.840 -0.155 0.000 0.978 83 L CB -1.694 40.154 42.059 -0.352 0.000 1.957 83 L HN 0.387 nan 8.230 nan 0.000 0.978 84 F N 0.457 120.370 119.950 -0.062 0.000 2.565 84 F HA 0.425 4.952 4.527 -0.000 0.000 0.313 84 F C 1.039 176.839 175.800 -0.000 0.000 1.091 84 F CA -0.761 57.224 58.000 -0.026 0.000 0.915 84 F CB 1.148 40.144 39.000 -0.007 0.000 1.208 84 F HN 0.126 nan 8.300 nan 0.000 0.453 85 N N 3.145 121.204 118.700 -1.068 0.000 2.686 85 N HA -0.276 4.464 4.740 -0.000 0.000 0.261 85 N C -0.575 174.745 175.510 -0.318 0.000 1.001 85 N CA 0.961 53.530 53.050 -0.801 0.000 0.764 85 N CB -0.287 37.594 38.487 -1.009 0.000 0.898 85 N HN 0.585 nan 8.380 nan 0.000 0.544 86 K N -0.904 119.363 120.400 -0.222 0.000 2.506 86 K HA 0.240 4.560 4.320 -0.000 0.000 0.204 86 K C 0.544 177.066 176.600 -0.131 0.000 1.045 86 K CA -0.338 55.870 56.287 -0.131 0.000 1.074 86 K CB 0.607 33.061 32.500 -0.076 0.000 0.842 86 K HN 0.092 nan 8.250 nan 0.000 0.514 87 E N 0.949 121.049 120.200 -0.168 0.000 2.482 87 E HA 0.034 4.384 4.350 -0.000 0.000 0.196 87 E C 0.296 176.786 176.600 -0.182 0.000 1.047 87 E CA 0.465 56.757 56.400 -0.181 0.000 0.869 87 E CB 0.114 29.672 29.700 -0.237 0.000 0.836 87 E HN 0.412 nan 8.360 nan 0.000 0.520 88 N N -1.087 117.520 118.700 -0.156 0.000 2.026 88 N HA 0.101 4.841 4.740 -0.000 0.000 0.239 88 N C 0.065 175.501 175.510 -0.124 0.000 1.283 88 N CA 0.031 53.002 53.050 -0.132 0.000 0.816 88 N CB 1.387 39.801 38.487 -0.122 0.000 1.263 88 N HN 0.022 nan 8.380 nan 0.000 0.470 89 L N 1.931 123.079 121.223 -0.126 0.000 2.334 89 L HA 0.552 4.892 4.340 -0.000 0.000 0.270 89 L C -2.298 174.515 176.870 -0.096 0.000 1.018 89 L CA -1.662 53.076 54.840 -0.170 0.000 0.811 89 L CB 1.510 43.468 42.059 -0.167 0.000 1.271 89 L HN -0.243 nan 8.230 nan 0.000 0.443 90 P HA 0.160 nan 4.420 nan 0.000 0.274 90 P C -0.009 177.377 177.300 0.144 0.000 1.231 90 P CA -0.187 62.932 63.100 0.032 0.000 0.790 90 P CB 0.933 32.664 31.700 0.053 0.000 0.951 91 S N 1.084 116.830 115.700 0.076 0.000 2.423 91 S HA -0.032 4.438 4.470 -0.000 0.000 0.231 91 S C 0.569 175.174 174.600 0.008 0.000 1.014 91 S CA 1.109 59.344 58.200 0.057 0.000 0.965 91 S CB -0.242 62.987 63.200 0.048 0.000 0.785 91 S HN 0.415 nan 8.310 nan 0.000 0.495 92 R N -0.003 120.508 120.500 0.018 0.000 2.621 92 R HA 0.604 4.944 4.340 -0.000 0.000 0.284 92 R C -1.408 174.889 176.300 -0.005 0.000 0.998 92 R CA -0.615 55.420 56.100 -0.110 0.000 0.895 92 R CB 1.860 32.116 30.300 -0.074 0.000 1.195 92 R HN 0.274 nan 8.270 nan 0.000 0.450 93 F N -1.416 118.439 119.950 -0.157 0.000 2.799 93 F HA 0.533 5.060 4.527 -0.000 0.000 0.316 93 F C -1.799 173.909 175.800 -0.154 0.000 1.155 93 F CA -1.319 56.585 58.000 -0.160 0.000 0.916 93 F CB 1.293 40.166 39.000 -0.212 0.000 1.294 93 F HN 0.180 nan 8.300 nan 0.000 0.447 94 K N 1.143 121.623 120.400 0.133 0.000 2.385 94 K HA 0.715 5.035 4.320 -0.000 0.000 0.248 94 K C -2.215 174.540 176.600 0.260 0.000 0.955 94 K CA -0.832 55.505 56.287 0.083 0.000 0.816 94 K CB 3.094 35.600 32.500 0.010 0.000 1.250 94 K HN 0.647 nan 8.250 nan 0.000 0.434 95 F N 1.671 121.681 119.950 0.101 0.000 2.561 95 F HA 0.379 4.906 4.527 -0.000 0.000 0.313 95 F C -1.085 174.787 175.800 0.120 0.000 1.126 95 F CA -0.602 57.488 58.000 0.149 0.000 0.918 95 F CB 1.691 40.885 39.000 0.324 0.000 1.199 95 F HN 0.270 nan 8.300 nan 0.000 0.444 96 K N 4.976 125.078 120.400 -0.497 0.000 2.443 96 K HA 0.308 4.628 4.320 -0.000 0.000 0.252 96 K C -1.524 174.776 176.600 -0.500 0.000 0.933 96 K CA -0.547 55.528 56.287 -0.354 0.000 0.792 96 K CB 1.812 34.061 32.500 -0.418 0.000 1.185 96 K HN 0.811 nan 8.250 nan 0.000 0.425 97 E N 4.453 124.543 120.200 -0.183 0.000 2.129 97 E HA 0.171 4.521 4.350 -0.000 0.000 0.268 97 E C -1.372 175.172 176.600 -0.093 0.000 0.900 97 E CA -0.684 55.653 56.400 -0.105 0.000 0.755 97 E CB 0.702 30.538 29.700 0.227 0.000 1.117 97 E HN 0.473 nan 8.360 nan 0.000 0.410 98 Y N 2.539 122.863 120.300 0.039 0.000 2.402 98 Y HA 0.114 4.663 4.550 -0.000 0.000 0.333 98 Y C 0.671 176.727 175.900 0.259 0.000 1.076 98 Y CA -0.524 57.687 58.100 0.185 0.000 1.299 98 Y CB 0.539 39.117 38.460 0.197 0.000 1.197 98 Y HN 0.595 nan 8.280 nan 0.000 0.517 99 C N 4.128 123.669 119.300 0.403 0.000 3.514 99 C HA -0.172 4.288 4.460 -0.000 0.000 0.286 99 C C -1.039 174.055 174.990 0.175 0.000 1.302 99 C CA -1.069 58.069 59.018 0.201 0.000 2.239 99 C CB -2.097 25.665 27.740 0.037 0.000 1.429 99 C HN 0.773 nan 8.230 nan 0.000 0.565 100 P HA -0.234 nan 4.420 nan 0.000 0.217 100 P C 1.876 179.209 177.300 0.055 0.000 1.158 100 P CA 1.869 65.044 63.100 0.125 0.000 0.887 100 P CB -0.030 31.728 31.700 0.096 0.000 0.792 101 M N -1.670 117.909 119.600 -0.034 0.000 2.175 101 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 101 M C 2.057 178.240 176.300 -0.195 0.000 1.063 101 M CA 1.489 56.728 55.300 -0.102 0.000 1.119 101 M CB -1.553 30.972 32.600 -0.125 0.000 1.377 101 M HN -0.143 nan 8.290 nan 0.000 0.415 102 V N -0.159 119.541 119.914 -0.357 0.000 2.358 102 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 102 V C 2.208 178.081 176.094 -0.369 0.000 1.047 102 V CA 1.662 63.619 62.300 -0.570 0.000 1.035 102 V CB -0.764 30.448 31.823 -1.018 0.000 0.658 102 V HN 0.211 nan 8.190 nan 0.000 0.452 103 F N 0.015 119.886 119.950 -0.132 0.000 2.206 103 F HA -0.051 4.476 4.527 -0.000 0.000 0.298 103 F C 2.611 178.356 175.800 -0.090 0.000 1.090 103 F CA 1.542 59.501 58.000 -0.069 0.000 1.323 103 F CB -0.344 38.604 39.000 -0.087 0.000 1.028 103 F HN -0.050 nan 8.300 nan 0.000 0.492 104 R N 1.005 121.553 120.500 0.080 0.000 2.127 104 R HA -0.221 4.119 4.340 -0.000 0.000 0.238 104 R C 1.999 178.283 176.300 -0.026 0.000 1.134 104 R CA 1.747 57.852 56.100 0.009 0.000 0.975 104 R CB -0.692 29.611 30.300 0.006 0.000 0.865 104 R HN 0.361 nan 8.270 nan 0.000 0.447 105 N N 0.541 119.212 118.700 -0.048 0.000 2.207 105 N HA -0.095 4.645 4.740 -0.000 0.000 0.182 105 N C 1.990 177.445 175.510 -0.091 0.000 1.020 105 N CA 0.634 53.652 53.050 -0.053 0.000 0.858 105 N CB 0.042 38.510 38.487 -0.032 0.000 0.991 105 N HN 0.240 nan 8.380 nan 0.000 0.427 106 L N 0.836 122.012 121.223 -0.078 0.000 2.187 106 L HA -0.110 4.230 4.340 -0.000 0.000 0.213 106 L C 2.708 179.419 176.870 -0.265 0.000 1.100 106 L CA 0.828 55.533 54.840 -0.226 0.000 0.765 106 L CB -0.219 41.874 42.059 0.058 0.000 0.904 106 L HN 0.175 nan 8.230 nan 0.000 0.437 107 R N 0.235 120.701 120.500 -0.057 0.000 2.061 107 R HA -0.188 4.151 4.340 -0.000 0.000 0.230 107 R C 2.285 178.579 176.300 -0.011 0.000 1.140 107 R CA 1.740 57.837 56.100 -0.005 0.000 0.940 107 R CB -0.229 30.016 30.300 -0.092 0.000 0.839 107 R HN 0.478 nan 8.270 nan 0.000 0.429 108 E N 0.411 120.581 120.200 -0.049 0.000 2.204 108 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 108 E C 1.953 178.505 176.600 -0.080 0.000 0.990 108 E CA 1.124 57.503 56.400 -0.035 0.000 0.821 108 E CB -0.109 29.570 29.700 -0.036 0.000 0.750 108 E HN 0.136 nan 8.360 nan 0.000 0.477 109 R N -0.447 119.928 120.500 -0.209 0.000 2.189 109 R HA 0.026 4.366 4.340 -0.000 0.000 0.218 109 R C 0.787 176.922 176.300 -0.275 0.000 1.074 109 R CA 0.991 56.888 56.100 -0.339 0.000 0.991 109 R CB -0.020 29.936 30.300 -0.573 0.000 0.883 109 R HN 0.271 nan 8.270 nan 0.000 0.457 110 F N -0.619 119.314 119.950 -0.028 0.000 2.647 110 F HA 0.294 4.821 4.527 -0.000 0.000 0.300 110 F C 1.082 176.900 175.800 0.030 0.000 1.106 110 F CA -0.219 57.777 58.000 -0.007 0.000 1.313 110 F CB 1.212 40.217 39.000 0.009 0.000 1.007 110 F HN 0.118 nan 8.300 nan 0.000 0.536 111 G N 2.437 111.332 108.800 0.157 0.000 2.366 111 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.299 111 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.299 111 G C -0.264 174.742 174.900 0.176 0.000 1.020 111 G CA 0.004 45.182 45.100 0.130 0.000 1.026 111 G HN 0.433 nan 8.290 nan 0.000 0.512 112 I N 0.035 120.707 120.570 0.170 0.000 2.433 112 I HA 0.271 4.440 4.170 -0.000 0.000 0.292 112 I C -0.198 176.001 176.117 0.136 0.000 1.001 112 I CA -0.915 60.503 61.300 0.197 0.000 1.119 112 I CB 1.756 39.874 38.000 0.196 0.000 1.289 112 I HN 0.064 nan 8.210 nan 0.000 0.438 113 D N 4.702 125.197 120.400 0.159 0.000 2.308 113 D HA 0.021 4.661 4.640 -0.000 0.000 0.251 113 D C 0.464 176.844 176.300 0.135 0.000 1.127 113 D CA -0.023 54.050 54.000 0.121 0.000 0.876 113 D CB 1.615 42.486 40.800 0.118 0.000 1.176 113 D HN 0.501 nan 8.370 nan 0.000 0.446 114 D N 2.123 122.583 120.400 0.100 0.000 2.133 114 D HA -0.214 4.426 4.640 -0.000 0.000 0.195 114 D C 1.614 178.010 176.300 0.160 0.000 0.997 114 D CA 1.276 55.353 54.000 0.129 0.000 0.840 114 D CB 0.139 40.989 40.800 0.083 0.000 0.947 114 D HN 0.551 nan 8.370 nan 0.000 0.452 115 Q N -0.172 119.692 119.800 0.107 0.000 2.230 115 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 115 Q C 0.985 177.044 176.000 0.098 0.000 0.963 115 Q CA 0.995 56.847 55.803 0.081 0.000 0.866 115 Q CB 0.243 29.012 28.738 0.052 0.000 0.931 115 Q HN 0.188 nan 8.270 nan 0.000 0.452 116 D N -0.654 119.827 120.400 0.135 0.000 2.149 116 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 116 D C 1.405 177.844 176.300 0.232 0.000 0.972 116 D CA 0.850 54.942 54.000 0.153 0.000 0.835 116 D CB -0.284 40.617 40.800 0.169 0.000 0.966 116 D HN 0.369 nan 8.370 nan 0.000 0.476 117 Y N 1.312 121.673 120.300 0.103 0.000 2.145 117 Y HA -0.244 4.306 4.550 -0.000 0.000 0.286 117 Y C 2.533 178.449 175.900 0.027 0.000 1.145 117 Y CA 1.861 59.960 58.100 -0.001 0.000 1.148 117 Y CB 0.057 38.425 38.460 -0.153 0.000 0.981 117 Y HN -0.080 nan 8.280 nan 0.000 0.507 118 Q N 0.286 120.062 119.800 -0.040 0.000 2.050 118 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 118 Q C 1.757 177.701 176.000 -0.094 0.000 0.980 118 Q CA 1.935 57.665 55.803 -0.122 0.000 0.840 118 Q CB -0.203 28.523 28.738 -0.020 0.000 0.898 118 Q HN 0.501 nan 8.270 nan 0.000 0.424 119 N N -0.012 118.685 118.700 -0.005 0.000 2.188 119 N HA -0.083 4.657 4.740 -0.000 0.000 0.184 119 N C 1.852 177.430 175.510 0.112 0.000 1.018 119 N CA 1.374 54.451 53.050 0.044 0.000 0.858 119 N CB -0.244 38.281 38.487 0.063 0.000 0.989 119 N HN 0.162 nan 8.380 nan 0.000 0.426 120 S N 0.296 116.036 115.700 0.066 0.000 2.399 120 S HA -0.038 4.432 4.470 -0.000 0.000 0.231 120 S C 2.094 176.732 174.600 0.062 0.000 1.022 120 S CA 0.687 58.898 58.200 0.019 0.000 0.983 120 S CB 0.016 63.285 63.200 0.116 0.000 0.803 120 S HN 0.124 nan 8.310 nan 0.000 0.480 121 V N 1.357 121.251 119.914 -0.034 0.000 2.992 121 V HA -0.000 4.119 4.120 -0.000 0.000 0.250 121 V C 2.418 178.493 176.094 -0.031 0.000 1.090 121 V CA 1.620 63.879 62.300 -0.069 0.000 1.101 121 V CB -0.510 31.164 31.823 -0.249 0.000 0.743 121 V HN 0.710 nan 8.190 nan 0.000 0.468 122 T N -2.640 111.896 114.554 -0.030 0.000 2.990 122 T HA 0.053 4.403 4.350 -0.000 0.000 0.249 122 T C 1.829 176.512 174.700 -0.027 0.000 1.039 122 T CA 0.231 62.306 62.100 -0.042 0.000 1.036 122 T CB 0.069 68.888 68.868 -0.081 0.000 0.994 122 T HN 0.252 nan 8.240 nan 0.000 0.489 123 R N 1.374 121.884 120.500 0.016 0.000 2.080 123 R HA 0.049 4.389 4.340 -0.000 0.000 0.236 123 R C 0.602 176.766 176.300 -0.227 0.000 1.137 123 R CA 1.399 57.445 56.100 -0.090 0.000 0.943 123 R CB -0.177 30.101 30.300 -0.038 0.000 0.846 123 R HN 0.397 nan 8.270 nan 0.000 0.431 124 S N -1.376 114.184 115.700 -0.234 0.000 2.548 124 S HA 0.561 5.031 4.470 -0.000 0.000 0.276 124 S C -1.192 173.401 174.600 -0.011 0.000 1.129 124 S CA -0.531 57.530 58.200 -0.232 0.000 0.931 124 S CB 1.726 64.597 63.200 -0.549 0.000 1.068 124 S HN 0.420 nan 8.310 nan 0.000 0.480 125 A N 5.682 128.499 122.820 -0.005 0.000 2.584 125 A HA 0.368 4.687 4.320 -0.000 0.000 0.239 125 A C -2.168 175.457 177.584 0.068 0.000 1.043 125 A CA -0.419 51.634 52.037 0.027 0.000 0.756 125 A CB -0.553 18.454 19.000 0.011 0.000 0.963 125 A HN 0.673 nan 8.150 nan 0.000 0.511 126 P HA 0.187 nan 4.420 nan 0.000 0.271 126 P C 0.019 177.359 177.300 0.066 0.000 1.233 126 P CA 0.191 63.339 63.100 0.080 0.000 0.764 126 P CB 0.219 31.955 31.700 0.059 0.000 0.825 127 I N 0.598 121.213 120.570 0.075 0.000 2.823 127 I HA 0.277 4.447 4.170 -0.000 0.000 0.290 127 I C 0.186 176.343 176.117 0.065 0.000 1.091 127 I CA -0.678 60.660 61.300 0.063 0.000 1.365 127 I CB 0.237 38.276 38.000 0.065 0.000 1.427 127 I HN 0.116 nan 8.210 nan 0.000 0.583 128 N N 2.744 121.481 118.700 0.061 0.000 2.467 128 N HA 0.231 4.971 4.740 -0.000 0.000 0.262 128 N C 0.051 175.609 175.510 0.080 0.000 1.234 128 N CA -0.207 52.887 53.050 0.074 0.000 0.952 128 N CB 1.454 39.980 38.487 0.063 0.000 1.158 128 N HN 0.697 nan 8.380 nan 0.000 0.463 129 S N -0.348 115.416 115.700 0.106 0.000 3.769 129 S HA 0.234 4.704 4.470 -0.000 0.000 0.183 129 S C -0.800 173.839 174.600 0.066 0.000 0.903 129 S CA -0.160 58.096 58.200 0.094 0.000 1.413 129 S CB -0.026 63.253 63.200 0.131 0.000 0.753 129 S HN 0.680 nan 8.310 nan 0.000 0.773 130 D N 0.990 121.417 120.400 0.045 0.000 2.735 130 D HA 0.314 4.954 4.640 -0.000 0.000 0.291 130 D C -0.987 175.288 176.300 -0.041 0.000 1.205 130 D CA -0.151 53.847 54.000 -0.003 0.000 0.777 130 D CB 0.435 41.216 40.800 -0.032 0.000 1.234 130 D HN 0.364 nan 8.370 nan 0.000 0.520 131 S N 1.025 116.763 115.700 0.063 0.000 2.575 131 S HA 0.067 4.537 4.470 -0.000 0.000 0.295 131 S C 0.367 174.994 174.600 0.044 0.000 1.267 131 S CA -0.361 57.920 58.200 0.136 0.000 1.074 131 S CB 0.909 64.248 63.200 0.232 0.000 0.829 131 S HN 0.294 nan 8.310 nan 0.000 0.497 138 R N 0.291 120.838 120.500 0.079 0.000 2.536 138 R HA 0.754 5.094 4.340 -0.000 0.000 0.279 138 R C -1.689 174.643 176.300 0.052 0.000 1.001 138 R CA -0.583 55.574 56.100 0.096 0.000 1.027 138 R CB 1.176 31.508 30.300 0.053 0.000 1.096 138 R HN 0.373 nan 8.270 nan 0.000 0.502 139 F N 2.452 122.426 119.950 0.040 0.000 2.553 139 F HA 0.380 4.907 4.527 -0.000 0.000 0.335 139 F C -0.413 175.409 175.800 0.037 0.000 1.148 139 F CA -0.411 57.612 58.000 0.038 0.000 0.963 139 F CB 1.049 40.066 39.000 0.027 0.000 1.217 139 F HN 0.139 nan 8.300 nan 0.000 0.441 140 L N 1.861 123.161 121.223 0.127 0.000 2.298 140 L HA 0.779 5.119 4.340 -0.000 0.000 0.268 140 L C -0.191 176.751 176.870 0.120 0.000 1.010 140 L CA -0.796 54.109 54.840 0.109 0.000 0.812 140 L CB 2.438 44.534 42.059 0.062 0.000 1.331 140 L HN 0.407 nan 8.230 nan 0.000 0.450 141 T N -0.393 114.216 114.554 0.093 0.000 3.097 141 T HA 0.299 4.649 4.350 -0.000 0.000 0.332 141 T C -0.556 174.174 174.700 0.050 0.000 1.269 141 T CA -0.555 61.590 62.100 0.075 0.000 1.076 141 T CB 1.138 70.042 68.868 0.061 0.000 1.209 141 T HN 0.775 nan 8.240 nan 0.000 0.474 142 T N 2.492 117.062 114.554 0.028 0.000 2.791 142 T HA 0.081 4.430 4.350 -0.000 0.000 0.323 142 T C 1.480 176.152 174.700 -0.046 0.000 1.082 142 T CA 0.416 62.513 62.100 -0.006 0.000 1.084 142 T CB 0.051 68.884 68.868 -0.058 0.000 0.992 142 T HN 0.776 nan 8.240 nan 0.000 0.547 143 Y N 1.066 121.357 120.300 -0.015 0.000 2.193 143 Y HA -0.144 4.406 4.550 -0.000 0.000 0.285 143 Y C 1.626 177.508 175.900 -0.029 0.000 1.166 143 Y CA 1.463 59.552 58.100 -0.018 0.000 1.181 143 Y CB -1.113 37.334 38.460 -0.021 0.000 0.976 143 Y HN 0.709 nan 8.280 nan 0.000 0.520 144 D N -0.517 119.396 120.400 -0.812 0.000 2.324 144 D HA 0.015 4.655 4.640 -0.000 0.000 0.235 144 D C 0.885 176.994 176.300 -0.318 0.000 1.095 144 D CA 0.165 53.801 54.000 -0.607 0.000 0.871 144 D CB -0.329 39.943 40.800 -0.881 0.000 0.906 144 D HN 0.469 nan 8.370 nan 0.000 0.522 145 R N -1.372 119.001 120.500 -0.211 0.000 4.024 145 R HA -0.302 4.037 4.340 -0.000 0.000 0.391 145 R C 1.474 177.658 176.300 -0.193 0.000 1.157 145 R CA 1.336 57.364 56.100 -0.121 0.000 1.215 145 R CB -1.497 28.779 30.300 -0.040 0.000 1.738 145 R HN 0.275 nan 8.270 nan 0.000 0.566 146 R N -0.074 120.170 120.500 -0.427 0.000 2.093 146 R HA 0.084 4.424 4.340 -0.000 0.000 0.224 146 R C 0.171 176.055 176.300 -0.693 0.000 1.101 146 R CA 1.132 56.814 56.100 -0.696 0.000 0.979 146 R CB 0.239 29.834 30.300 -1.175 0.000 0.877 146 R HN 0.021 nan 8.270 nan 0.000 0.441 147 F N -0.774 119.138 119.950 -0.064 0.000 2.546 147 F HA 0.426 4.952 4.527 -0.000 0.000 0.320 147 F C -0.370 175.437 175.800 0.012 0.000 1.076 147 F CA -1.306 56.697 58.000 0.005 0.000 0.928 147 F CB 1.909 40.948 39.000 0.066 0.000 1.189 147 F HN -0.381 nan 8.300 nan 0.000 0.465 148 V N 3.788 123.840 119.914 0.229 0.000 2.555 148 V HA 0.450 4.570 4.120 -0.000 0.000 0.302 148 V C -0.297 175.869 176.094 0.120 0.000 1.038 148 V CA -0.747 61.645 62.300 0.153 0.000 0.887 148 V CB 2.066 33.984 31.823 0.158 0.000 0.991 148 V HN 0.512 nan 8.190 nan 0.000 0.434 149 I N 5.451 126.059 120.570 0.063 0.000 2.354 149 I HA 0.448 4.618 4.170 -0.000 0.000 0.286 149 I C -0.066 175.963 176.117 -0.146 0.000 1.007 149 I CA -0.491 60.818 61.300 0.016 0.000 1.167 149 I CB 1.041 39.075 38.000 0.056 0.000 1.320 149 I HN 0.479 nan 8.210 nan 0.000 0.458 150 K N 4.197 124.449 120.400 -0.246 0.000 2.123 150 K HA 0.561 4.880 4.320 -0.000 0.000 0.259 150 K C -0.510 175.965 176.600 -0.208 0.000 0.960 150 K CA -0.798 55.195 56.287 -0.490 0.000 0.872 150 K CB 1.670 33.776 32.500 -0.657 0.000 1.079 150 K HN 0.376 nan 8.250 nan 0.000 0.440 151 T N 1.987 116.437 114.554 -0.173 0.000 2.811 151 T HA 0.200 4.550 4.350 -0.000 0.000 0.309 151 T C 0.569 175.260 174.700 -0.016 0.000 1.005 151 T CA -0.768 61.313 62.100 -0.032 0.000 0.955 151 T CB 0.104 68.976 68.868 0.007 0.000 0.970 151 T HN 0.448 nan 8.240 nan 0.000 0.496 152 V N 1.641 121.562 119.914 0.012 0.000 3.653 152 V HA 0.809 4.928 4.120 -0.000 0.000 0.282 152 V C 0.527 176.613 176.094 -0.014 0.000 0.993 152 V CA -0.904 61.389 62.300 -0.012 0.000 0.986 152 V CB 0.925 32.722 31.823 -0.043 0.000 1.249 152 V HN 0.815 nan 8.190 nan 0.000 0.423 153 S N -1.392 114.248 115.700 -0.101 0.000 2.704 153 S HA 0.413 4.883 4.470 -0.000 0.000 0.305 153 S C 1.128 175.469 174.600 -0.432 0.000 1.107 153 S CA 0.179 58.275 58.200 -0.174 0.000 0.993 153 S CB 1.176 64.310 63.200 -0.109 0.000 1.110 153 S HN 1.166 nan 8.310 nan 0.000 0.534 154 S N 0.363 115.733 115.700 -0.550 0.000 2.400 154 S HA -0.136 4.334 4.470 -0.000 0.000 0.232 154 S C 1.572 175.935 174.600 -0.396 0.000 1.025 154 S CA 1.482 59.251 58.200 -0.719 0.000 0.993 154 S CB -0.748 62.205 63.200 -0.412 0.000 0.808 154 S HN 0.699 nan 8.310 nan 0.000 0.478 155 E N 1.625 121.675 120.200 -0.251 0.000 2.017 155 E HA -0.129 4.220 4.350 -0.000 0.000 0.193 155 E C 1.810 178.308 176.600 -0.171 0.000 0.997 155 E CA 1.318 57.619 56.400 -0.166 0.000 0.804 155 E CB -0.795 28.839 29.700 -0.110 0.000 0.757 155 E HN 0.603 nan 8.360 nan 0.000 0.448 156 D N 1.080 121.376 120.400 -0.173 0.000 2.116 156 D HA -0.131 4.509 4.640 -0.000 0.000 0.193 156 D C 2.180 178.357 176.300 -0.204 0.000 0.998 156 D CA 0.937 54.841 54.000 -0.159 0.000 0.836 156 D CB -0.409 40.313 40.800 -0.130 0.000 0.951 156 D HN 0.006 nan 8.370 nan 0.000 0.449 157 V N 1.400 121.153 119.914 -0.268 0.000 2.568 157 V HA -0.241 3.879 4.120 -0.000 0.000 0.253 157 V C 2.467 178.447 176.094 -0.190 0.000 1.072 157 V CA 1.759 63.885 62.300 -0.290 0.000 1.084 157 V CB -0.691 30.901 31.823 -0.384 0.000 0.676 157 V HN 0.215 nan 8.190 nan 0.000 0.469 158 A N -0.662 122.057 122.820 -0.167 0.000 1.930 158 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 158 A C 2.168 179.718 177.584 -0.057 0.000 1.176 158 A CA 1.223 53.207 52.037 -0.087 0.000 0.632 158 A CB -0.314 18.617 19.000 -0.115 0.000 0.819 158 A HN 0.559 nan 8.150 nan 0.000 0.445 159 E N -0.795 119.345 120.200 -0.101 0.000 2.077 159 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 159 E C 2.002 178.527 176.600 -0.126 0.000 0.989 159 E CA 1.148 57.492 56.400 -0.094 0.000 0.800 159 E CB -0.185 29.457 29.700 -0.097 0.000 0.746 159 E HN 0.395 nan 8.360 nan 0.000 0.452 160 M N -0.062 119.415 119.600 -0.205 0.000 2.149 160 M HA -0.181 4.298 4.480 -0.000 0.000 0.261 160 M C 1.766 177.906 176.300 -0.267 0.000 1.064 160 M CA 1.802 56.910 55.300 -0.319 0.000 1.102 160 M CB -0.712 31.642 32.600 -0.409 0.000 1.369 160 M HN 0.227 nan 8.290 nan 0.000 0.408 161 H N -1.027 117.965 119.070 -0.130 0.000 2.395 161 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 161 H C 1.879 177.190 175.328 -0.028 0.000 1.070 161 H CA 1.797 57.808 56.048 -0.062 0.000 1.356 161 H CB -0.091 29.621 29.762 -0.083 0.000 1.401 161 H HN 0.443 nan 8.280 nan 0.000 0.524 162 N N 0.058 118.790 118.700 0.053 0.000 2.142 162 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 162 N C 1.853 177.368 175.510 0.008 0.000 1.023 162 N CA 1.497 54.557 53.050 0.018 0.000 0.852 162 N CB 0.037 38.517 38.487 -0.013 0.000 0.998 162 N HN 0.467 nan 8.380 nan 0.000 0.424 163 I N -2.137 118.432 120.570 -0.002 0.000 2.716 163 I HA 0.032 4.202 4.170 -0.000 0.000 0.259 163 I C 1.817 178.021 176.117 0.146 0.000 1.172 163 I CA 0.445 61.777 61.300 0.054 0.000 1.478 163 I CB -0.203 37.831 38.000 0.056 0.000 1.104 163 I HN -0.011 nan 8.210 nan 0.000 0.439 164 L N 2.202 123.466 121.223 0.068 0.000 2.085 164 L HA -0.272 4.067 4.340 -0.000 0.000 0.218 164 L C 2.432 179.496 176.870 0.323 0.000 1.080 164 L CA 2.151 57.075 54.840 0.139 0.000 0.776 164 L CB -0.895 41.155 42.059 -0.015 0.000 0.891 164 L HN 0.358 nan 8.230 nan 0.000 0.437 165 K N -0.429 120.057 120.400 0.143 0.000 2.116 165 K HA -0.092 4.228 4.320 -0.000 0.000 0.203 165 K C 2.023 178.653 176.600 0.050 0.000 1.052 165 K CA 1.491 57.675 56.287 -0.172 0.000 0.952 165 K CB -0.082 32.084 32.500 -0.556 0.000 0.729 165 K HN 0.340 nan 8.250 nan 0.000 0.446 166 K N -0.933 119.552 120.400 0.141 0.000 2.007 166 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 166 K C 2.188 179.072 176.600 0.473 0.000 1.047 166 K CA 1.549 57.980 56.287 0.242 0.000 0.937 166 K CB -0.477 32.121 32.500 0.162 0.000 0.718 166 K HN 0.163 nan 8.250 nan 0.000 0.438 167 Y N 1.472 122.042 120.300 0.451 0.000 2.151 167 Y HA -0.343 4.207 4.550 -0.000 0.000 0.284 167 Y C 2.491 178.549 175.900 0.263 0.000 1.166 167 Y CA 1.911 60.270 58.100 0.430 0.000 1.163 167 Y CB -0.318 38.398 38.460 0.427 0.000 0.974 167 Y HN 0.246 nan 8.280 nan 0.000 0.511 168 H N -0.436 118.803 119.070 0.281 0.000 2.389 168 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 168 H C 2.001 177.324 175.328 -0.007 0.000 1.081 168 H CA 1.805 57.907 56.048 0.090 0.000 1.345 168 H CB 0.022 29.929 29.762 0.242 0.000 1.393 168 H HN 0.409 nan 8.280 nan 0.000 0.520 169 Q N 0.474 120.344 119.800 0.117 0.000 2.119 169 Q HA -0.119 4.221 4.340 -0.000 0.000 0.201 169 Q C 2.384 178.379 176.000 -0.008 0.000 0.972 169 Q CA 1.494 57.321 55.803 0.040 0.000 0.847 169 Q CB -0.829 27.973 28.738 0.107 0.000 0.903 169 Q HN 0.562 nan 8.270 nan 0.000 0.433 170 F N -0.402 119.438 119.950 -0.184 0.000 2.075 170 F HA -0.214 4.312 4.527 -0.000 0.000 0.297 170 F C 1.502 177.078 175.800 -0.374 0.000 1.113 170 F CA 0.825 58.642 58.000 -0.305 0.000 1.218 170 F CB 0.025 38.618 39.000 -0.678 0.000 0.984 170 F HN 0.078 nan 8.300 nan 0.000 0.472 171 I N 0.340 120.573 120.570 -0.562 0.000 2.423 171 I HA -0.227 3.942 4.170 -0.000 0.000 0.254 171 I C 2.353 178.148 176.117 -0.537 0.000 1.151 171 I CA 0.898 61.806 61.300 -0.654 0.000 1.421 171 I CB -1.473 36.111 38.000 -0.694 0.000 1.079 171 I HN 0.123 nan 8.210 nan 0.000 0.431 172 V N 1.706 121.327 119.914 -0.487 0.000 2.358 172 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 172 V C 1.778 177.688 176.094 -0.307 0.000 1.047 172 V CA 1.699 63.753 62.300 -0.409 0.000 1.035 172 V CB -0.655 30.982 31.823 -0.310 0.000 0.658 172 V HN 0.556 nan 8.190 nan 0.000 0.452 173 E N -1.531 118.548 120.200 -0.201 0.000 2.405 173 E HA 0.121 4.470 4.350 -0.000 0.000 0.214 173 E C 0.572 177.141 176.600 -0.051 0.000 1.101 173 E CA 0.145 56.506 56.400 -0.065 0.000 1.254 173 E CB -0.127 29.579 29.700 0.009 0.000 1.240 173 E HN 0.584 nan 8.360 nan 0.000 0.439 174 C N -0.833 118.402 119.300 -0.110 0.000 4.154 174 C HA 0.165 4.625 4.460 -0.000 0.000 0.359 174 C C -0.105 174.912 174.990 0.046 0.000 1.702 174 C CA -0.428 58.499 59.018 -0.151 0.000 1.900 174 C CB -0.767 26.654 27.740 -0.532 0.000 3.051 174 C HN 0.666 nan 8.230 nan 0.000 0.670 175 H N 0.818 119.761 119.070 -0.212 0.000 2.770 175 H HA -0.074 4.481 4.556 -0.000 0.000 0.309 175 H C 1.331 176.592 175.328 -0.111 0.000 1.206 175 H CA 1.469 57.427 56.048 -0.150 0.000 1.147 175 H CB -1.691 28.012 29.762 -0.099 0.000 1.422 175 H HN 0.866 nan 8.280 nan 0.000 0.420 176 G N -0.125 108.638 108.800 -0.063 0.000 2.203 176 G HA2 -0.376 3.583 3.960 -0.000 0.000 0.263 176 G HA3 -0.376 3.583 3.960 -0.000 0.000 0.263 176 G C 0.185 175.142 174.900 0.095 0.000 1.012 176 G CA 0.299 45.481 45.100 0.137 0.000 0.749 176 G HN 0.656 nan 8.290 nan 0.000 0.512 177 N N 1.435 120.116 118.700 -0.031 0.000 3.091 177 N HA 0.347 5.087 4.740 -0.000 0.000 0.255 177 N C 0.165 175.600 175.510 -0.126 0.000 1.204 177 N CA 0.807 53.825 53.050 -0.053 0.000 0.990 177 N CB 0.987 39.454 38.487 -0.034 0.000 1.260 177 N HN 0.638 nan 8.380 nan 0.000 0.502 178 T N -2.530 111.942 114.554 -0.136 0.000 2.883 178 T HA 0.400 4.750 4.350 -0.000 0.000 0.301 178 T C 0.937 175.581 174.700 -0.094 0.000 1.158 178 T CA -0.752 61.258 62.100 -0.150 0.000 1.007 178 T CB 1.192 69.913 68.868 -0.245 0.000 1.186 178 T HN 0.070 nan 8.240 nan 0.000 0.499 179 L N 0.576 121.767 121.223 -0.054 0.000 2.591 179 L HA 0.316 4.656 4.340 -0.000 0.000 0.228 179 L C 0.684 177.538 176.870 -0.026 0.000 1.133 179 L CA -0.060 54.771 54.840 -0.015 0.000 0.880 179 L CB -0.375 41.693 42.059 0.014 0.000 1.033 179 L HN 0.440 nan 8.230 nan 0.000 0.450 180 L N 0.916 122.114 121.223 -0.041 0.000 2.452 180 L HA 0.201 4.540 4.340 -0.000 0.000 0.267 180 L C -1.955 174.841 176.870 -0.123 0.000 1.188 180 L CA -1.769 53.059 54.840 -0.019 0.000 0.821 180 L CB 0.447 42.565 42.059 0.098 0.000 1.102 180 L HN -0.221 nan 8.230 nan 0.000 0.470 181 P HA 0.021 nan 4.420 nan 0.000 0.267 181 P C -1.324 175.570 177.300 -0.677 0.000 1.205 181 P CA 0.056 62.879 63.100 -0.463 0.000 0.765 181 P CB 0.355 31.700 31.700 -0.592 0.000 0.828 182 Q N 2.781 122.200 119.800 -0.635 0.000 2.456 182 Q HA 0.301 4.641 4.340 -0.000 0.000 0.234 182 Q C -0.642 175.163 176.000 -0.324 0.000 1.061 182 Q CA -0.298 55.067 55.803 -0.730 0.000 0.896 182 Q CB 0.000 27.803 28.738 -1.559 0.000 1.233 182 Q HN 0.417 nan 8.270 nan 0.000 0.506 183 F N 2.174 122.326 119.950 0.337 0.000 2.543 183 F HA 0.025 4.552 4.527 -0.000 0.000 0.375 183 F C 1.008 177.039 175.800 0.386 0.000 1.075 183 F CA -0.056 58.112 58.000 0.281 0.000 1.225 183 F CB 0.472 39.645 39.000 0.287 0.000 1.099 183 F HN 0.474 nan 8.300 nan 0.000 0.561 184 L N 2.545 123.924 121.223 0.260 0.000 2.609 184 L HA 0.453 4.792 4.340 -0.000 0.000 0.230 184 L C 0.898 177.649 176.870 -0.199 0.000 1.087 184 L CA -0.029 54.827 54.840 0.026 0.000 0.874 184 L CB 0.108 41.990 42.059 -0.295 0.000 1.114 184 L HN 0.788 nan 8.230 nan 0.000 0.488 185 G N 0.548 109.107 108.800 -0.402 0.000 2.556 185 G HA2 0.462 4.422 3.960 -0.000 0.000 0.294 185 G HA3 0.462 4.422 3.960 -0.000 0.000 0.294 185 G C -1.841 172.414 174.900 -1.075 0.000 1.516 185 G CA -0.510 44.044 45.100 -0.910 0.000 0.824 185 G HN -0.139 nan 8.290 nan 0.000 0.535 186 M N 1.595 120.346 119.600 -1.415 0.000 2.213 186 M HA 0.751 5.231 4.480 -0.000 0.000 0.286 186 M C -1.926 173.970 176.300 -0.673 0.000 1.008 186 M CA -0.772 54.059 55.300 -0.782 0.000 0.937 186 M CB 1.520 33.811 32.600 -0.514 0.000 1.600 186 M HN 0.592 nan 8.290 nan 0.000 0.450 187 Y N 1.814 122.096 120.300 -0.029 0.000 2.634 187 Y HA 0.679 5.229 4.550 -0.000 0.000 0.340 187 Y C -0.549 175.220 175.900 -0.218 0.000 1.058 187 Y CA -1.080 56.873 58.100 -0.246 0.000 1.081 187 Y CB 1.621 39.879 38.460 -0.336 0.000 1.295 187 Y HN 0.597 nan 8.280 nan 0.000 0.487 188 R N 1.953 122.247 120.500 -0.343 0.000 2.521 188 R HA 0.523 4.863 4.340 -0.000 0.000 0.295 188 R C -2.312 173.737 176.300 -0.418 0.000 1.183 188 R CA -0.533 55.316 56.100 -0.418 0.000 0.957 188 R CB 0.466 30.441 30.300 -0.540 0.000 1.171 188 R HN 0.663 nan 8.270 nan 0.000 0.494 189 L N 2.429 123.501 121.223 -0.251 0.000 2.357 189 L HA 0.564 4.904 4.340 -0.000 0.000 0.273 189 L C 0.498 177.320 176.870 -0.080 0.000 1.080 189 L CA -0.423 54.371 54.840 -0.076 0.000 0.803 189 L CB 1.747 43.851 42.059 0.076 0.000 1.174 189 L HN 0.600 nan 8.230 nan 0.000 0.443 190 T N -0.683 113.868 114.554 -0.006 0.000 2.879 190 T HA 0.837 5.186 4.350 -0.000 0.000 0.290 190 T C -0.844 173.878 174.700 0.036 0.000 0.993 190 T CA -0.683 61.408 62.100 -0.015 0.000 0.975 190 T CB 1.287 70.136 68.868 -0.033 0.000 0.981 190 T HN 0.298 nan 8.240 nan 0.000 0.439 191 V N 2.332 122.255 119.914 0.015 0.000 2.686 191 V HA 0.479 4.599 4.120 -0.000 0.000 0.306 191 V C -0.654 175.446 176.094 0.008 0.000 1.065 191 V CA -1.019 61.295 62.300 0.023 0.000 0.894 191 V CB 1.638 33.460 31.823 -0.001 0.000 1.004 191 V HN 1.075 nan 8.190 nan 0.000 0.424 192 D N 3.070 123.476 120.400 0.010 0.000 2.746 192 D HA -0.180 4.460 4.640 -0.000 0.000 0.236 192 D C 1.359 177.659 176.300 0.001 0.000 1.129 192 D CA 1.507 55.509 54.000 0.003 0.000 0.691 192 D CB -1.229 39.571 40.800 0.001 0.000 1.077 192 D HN 1.646 nan 8.370 nan 0.000 0.432 193 G N -1.420 107.379 108.800 -0.001 0.000 2.200 193 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.268 193 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.268 193 G C 0.481 175.377 174.900 -0.006 0.000 0.986 193 G CA 0.618 45.715 45.100 -0.005 0.000 0.677 193 G HN 0.673 nan 8.290 nan 0.000 0.532 194 V N 1.571 121.483 119.914 -0.005 0.000 2.385 194 V HA 0.316 4.436 4.120 -0.000 0.000 0.269 194 V C 0.616 176.696 176.094 -0.023 0.000 1.043 194 V CA -0.722 61.576 62.300 -0.004 0.000 0.906 194 V CB 1.315 33.140 31.823 0.003 0.000 0.995 194 V HN 0.380 nan 8.190 nan 0.000 0.467 195 E N 2.974 123.153 120.200 -0.035 0.000 2.354 195 E HA 0.443 4.793 4.350 -0.000 0.000 0.269 195 E C -0.474 176.064 176.600 -0.104 0.000 1.036 195 E CA -0.175 56.153 56.400 -0.119 0.000 0.876 195 E CB 1.325 30.929 29.700 -0.161 0.000 1.009 195 E HN 0.634 nan 8.360 nan 0.000 0.416 196 T N 2.255 116.691 114.554 -0.196 0.000 2.921 196 T HA 0.358 4.708 4.350 -0.000 0.000 0.297 196 T C -1.193 173.405 174.700 -0.169 0.000 1.013 196 T CA -0.666 61.389 62.100 -0.076 0.000 0.990 196 T CB 0.391 69.246 68.868 -0.021 0.000 1.023 196 T HN 0.233 nan 8.240 nan 0.000 0.447 197 Y N 2.209 122.527 120.300 0.031 0.000 2.387 197 Y HA 0.758 5.308 4.550 -0.000 0.000 0.336 197 Y C 0.411 176.333 175.900 0.038 0.000 1.067 197 Y CA -1.118 57.011 58.100 0.049 0.000 1.114 197 Y CB 1.508 39.994 38.460 0.044 0.000 1.208 197 Y HN 0.364 nan 8.280 nan 0.000 0.458 198 M N 2.541 122.265 119.600 0.206 0.000 2.484 198 M HA 0.570 5.050 4.480 -0.000 0.000 0.289 198 M C -1.651 174.713 176.300 0.107 0.000 1.206 198 M CA -0.998 54.388 55.300 0.143 0.000 0.892 198 M CB 2.733 35.437 32.600 0.174 0.000 1.712 198 M HN 0.252 nan 8.290 nan 0.000 0.462 199 V N 3.005 122.948 119.914 0.049 0.000 2.385 199 V HA 0.281 4.401 4.120 -0.000 0.000 0.277 199 V C -0.359 175.780 176.094 0.076 0.000 1.012 199 V CA -0.750 61.554 62.300 0.008 0.000 0.832 199 V CB 1.606 33.427 31.823 -0.002 0.000 1.028 199 V HN 0.670 nan 8.190 nan 0.000 0.436 200 V N 4.691 124.671 119.914 0.109 0.000 2.637 200 V HA 0.562 4.682 4.120 -0.000 0.000 0.296 200 V C 0.597 176.786 176.094 0.158 0.000 1.046 200 V CA 0.242 62.650 62.300 0.179 0.000 1.066 200 V CB 1.223 33.245 31.823 0.332 0.000 0.968 200 V HN 1.013 nan 8.190 nan 0.000 0.483 201 T N 1.905 116.556 114.554 0.162 0.000 2.982 201 T HA 0.496 4.846 4.350 -0.000 0.000 0.321 201 T C -0.576 174.230 174.700 0.178 0.000 1.229 201 T CA -1.037 61.129 62.100 0.110 0.000 1.044 201 T CB 1.361 70.245 68.868 0.026 0.000 1.184 201 T HN 0.750 nan 8.240 nan 0.000 0.477 202 R N 2.662 123.267 120.500 0.175 0.000 2.585 202 R HA 0.166 4.506 4.340 -0.000 0.000 0.275 202 R C 0.505 176.839 176.300 0.057 0.000 1.018 202 R CA -0.242 56.010 56.100 0.254 0.000 1.072 202 R CB 0.286 30.680 30.300 0.156 0.000 0.953 202 R HN 0.788 nan 8.270 nan 0.000 0.419 203 N N 3.150 121.858 118.700 0.014 0.000 2.467 203 N HA -0.017 4.722 4.740 -0.000 0.000 0.262 203 N C 0.708 176.145 175.510 -0.122 0.000 1.234 203 N CA -0.412 52.593 53.050 -0.075 0.000 0.952 203 N CB 0.950 39.377 38.487 -0.100 0.000 1.158 203 N HN 0.330 nan 8.380 nan 0.000 0.463 204 V N 0.170 119.951 119.914 -0.221 0.000 2.270 204 V HA -0.053 4.067 4.120 -0.000 0.000 0.245 204 V C 1.040 177.097 176.094 -0.062 0.000 1.043 204 V CA 1.150 63.352 62.300 -0.162 0.000 1.014 204 V CB -0.780 30.864 31.823 -0.299 0.000 0.645 204 V HN 0.545 nan 8.190 nan 0.000 0.447 205 F N 0.965 120.754 119.950 -0.268 0.000 2.403 205 F HA 0.336 4.863 4.527 -0.000 0.000 0.320 205 F C 1.146 176.535 175.800 -0.684 0.000 1.176 205 F CA -0.555 57.013 58.000 -0.720 0.000 1.206 205 F CB 0.496 39.202 39.000 -0.489 0.000 1.235 205 F HN 0.087 nan 8.300 nan 0.000 0.565 206 S N -0.020 115.189 115.700 -0.818 0.000 2.617 206 S HA 0.058 4.528 4.470 -0.000 0.000 0.269 206 S C 0.794 175.248 174.600 -0.243 0.000 1.292 206 S CA -0.682 57.286 58.200 -0.387 0.000 1.010 206 S CB 0.860 63.862 63.200 -0.328 0.000 0.944 206 S HN 0.797 nan 8.310 nan 0.000 0.536 207 H N 1.168 120.108 119.070 -0.218 0.000 2.502 207 H HA 0.144 4.700 4.556 -0.000 0.000 0.283 207 H C 1.771 177.002 175.328 -0.161 0.000 1.015 207 H CA 0.913 56.841 56.048 -0.201 0.000 1.298 207 H CB -0.100 29.510 29.762 -0.253 0.000 1.411 207 H HN 0.740 nan 8.280 nan 0.000 0.556 208 R N 0.946 121.015 120.500 -0.719 0.000 2.056 208 R HA 0.220 4.560 4.340 -0.000 0.000 0.215 208 R C 0.589 176.708 176.300 -0.302 0.000 1.205 208 R CA -0.031 55.762 56.100 -0.511 0.000 1.020 208 R CB 0.153 30.099 30.300 -0.589 0.000 0.911 208 R HN 0.107 nan 8.270 nan 0.000 0.451 209 L N 2.712 123.737 121.223 -0.329 0.000 2.426 209 L HA 0.192 4.532 4.340 -0.000 0.000 0.271 209 L C -0.111 176.598 176.870 -0.268 0.000 1.169 209 L CA -0.431 54.191 54.840 -0.364 0.000 0.836 209 L CB 1.200 42.916 42.059 -0.572 0.000 1.112 209 L HN 0.364 nan 8.230 nan 0.000 0.465 210 T N -0.328 114.136 114.554 -0.149 0.000 2.845 210 T HA 0.389 4.739 4.350 -0.000 0.000 0.288 210 T C -0.036 174.548 174.700 -0.194 0.000 0.980 210 T CA -0.789 61.235 62.100 -0.126 0.000 1.071 210 T CB 1.766 70.596 68.868 -0.063 0.000 0.941 210 T HN 0.222 nan 8.240 nan 0.000 0.487 211 V N 4.456 124.239 119.914 -0.218 0.000 2.356 211 V HA 0.086 4.205 4.120 -0.000 0.000 0.258 211 V C 1.168 177.159 176.094 -0.171 0.000 1.065 211 V CA -0.345 61.806 62.300 -0.249 0.000 0.935 211 V CB -0.485 30.996 31.823 -0.570 0.000 1.061 211 V HN 0.881 nan 8.190 nan 0.000 0.484 212 H N 3.826 122.912 119.070 0.027 0.000 2.363 212 H HA 0.092 4.648 4.556 -0.000 0.000 0.301 212 H C 1.281 176.613 175.328 0.008 0.000 1.074 212 H CA 0.938 56.991 56.048 0.008 0.000 1.354 212 H CB 0.354 30.113 29.762 -0.005 0.000 1.397 212 H HN 0.455 nan 8.280 nan 0.000 0.516 213 R N 0.608 121.185 120.500 0.128 0.000 2.575 213 R HA 0.326 4.666 4.340 -0.000 0.000 0.293 213 R C -0.896 175.398 176.300 -0.011 0.000 0.983 213 R CA -0.550 55.606 56.100 0.094 0.000 0.887 213 R CB 2.046 32.462 30.300 0.194 0.000 1.184 213 R HN 0.002 nan 8.270 nan 0.000 0.445 214 K N 3.029 123.329 120.400 -0.166 0.000 2.281 214 K HA 0.435 4.755 4.320 -0.000 0.000 0.242 214 K C -1.612 174.786 176.600 -0.336 0.000 0.971 214 K CA -0.567 55.633 56.287 -0.144 0.000 0.834 214 K CB 1.227 33.672 32.500 -0.092 0.000 1.181 214 K HN 0.518 nan 8.250 nan 0.000 0.435 215 Y N -0.314 120.120 120.300 0.224 0.000 2.597 215 Y HA 0.196 4.746 4.550 -0.000 0.000 0.340 215 Y C -0.700 175.281 175.900 0.135 0.000 1.097 215 Y CA -0.870 57.356 58.100 0.210 0.000 1.037 215 Y CB 2.186 40.759 38.460 0.188 0.000 1.305 215 Y HN 0.540 nan 8.280 nan 0.000 0.463 216 D N 2.690 123.248 120.400 0.264 0.000 2.613 216 D HA 0.222 4.862 4.640 -0.000 0.000 0.312 216 D C -1.291 175.052 176.300 0.070 0.000 1.202 216 D CA -0.078 54.010 54.000 0.147 0.000 0.825 216 D CB 0.431 41.294 40.800 0.104 0.000 1.113 216 D HN 0.525 nan 8.370 nan 0.000 0.502 217 L N 2.668 123.881 121.223 -0.016 0.000 2.600 217 L HA 0.099 4.439 4.340 -0.000 0.000 0.278 217 L C 1.636 178.356 176.870 -0.250 0.000 1.139 217 L CA 0.110 54.800 54.840 -0.251 0.000 0.933 217 L CB 0.397 42.202 42.059 -0.423 0.000 1.266 217 L HN -0.057 nan 8.230 nan 0.000 0.471 218 K N 2.255 122.524 120.400 -0.218 0.000 2.243 218 K HA 0.117 4.437 4.320 -0.000 0.000 0.201 218 K C 1.624 178.143 176.600 -0.134 0.000 1.051 218 K CA 0.637 56.900 56.287 -0.040 0.000 0.970 218 K CB 0.081 32.595 32.500 0.023 0.000 0.755 218 K HN 0.866 nan 8.250 nan 0.000 0.465 219 G N 1.455 109.895 108.800 -0.601 0.000 2.205 219 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.261 219 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.261 219 G C 0.359 175.210 174.900 -0.081 0.000 0.980 219 G CA 0.495 45.199 45.100 -0.660 0.000 0.632 219 G HN 0.465 nan 8.290 nan 0.000 0.533 220 S N 0.812 116.529 115.700 0.027 0.000 2.568 220 S HA 0.467 4.936 4.470 -0.000 0.000 0.282 220 S C 0.741 175.384 174.600 0.072 0.000 1.338 220 S CA 0.737 58.985 58.200 0.080 0.000 1.045 220 S CB 0.915 64.115 63.200 0.000 0.000 0.873 220 S HN 1.733 nan 8.310 nan 0.000 0.516 221 T N 0.536 115.137 114.554 0.079 0.000 2.829 221 T HA 0.241 4.591 4.350 -0.000 0.000 0.293 221 T C 0.382 175.119 174.700 0.061 0.000 0.970 221 T CA -0.825 61.325 62.100 0.083 0.000 1.168 221 T CB -0.552 68.354 68.868 0.063 0.000 0.911 221 T HN 0.868 nan 8.240 nan 0.000 0.535 222 V N 3.235 123.198 119.914 0.081 0.000 3.121 222 V HA 0.131 4.251 4.120 -0.000 0.000 0.277 222 V C 0.991 177.111 176.094 0.044 0.000 1.474 222 V CA 1.321 63.663 62.300 0.069 0.000 1.468 222 V CB -2.202 29.662 31.823 0.069 0.000 0.819 222 V HN 1.425 nan 8.190 nan 0.000 0.450 223 A N 5.169 128.013 122.820 0.041 0.000 3.169 223 A HA 0.497 4.817 4.320 -0.000 0.000 0.146 223 A C 0.647 178.252 177.584 0.034 0.000 1.265 223 A CA 0.085 52.138 52.037 0.027 0.000 2.339 223 A CB 0.368 19.374 19.000 0.011 0.000 2.810 223 A HN 0.584 nan 8.150 nan 0.000 1.169 224 R N 1.275 121.791 120.500 0.028 0.000 4.576 224 R HA 0.142 4.482 4.340 -0.000 0.000 0.185 224 R C -0.790 175.540 176.300 0.049 0.000 1.837 224 R CA -0.012 56.110 56.100 0.037 0.000 1.520 224 R CB -0.222 30.095 30.300 0.029 0.000 1.403 224 R HN 0.411 nan 8.270 nan 0.000 0.831 225 E N 0.837 121.074 120.200 0.061 0.000 2.304 225 E HA 0.169 4.519 4.350 -0.000 0.000 0.212 225 E C -0.544 176.124 176.600 0.112 0.000 1.185 225 E CA -0.009 56.440 56.400 0.081 0.000 1.326 225 E CB 0.827 30.581 29.700 0.091 0.000 1.283 225 E HN 0.520 nan 8.360 nan 0.000 0.440 226 A N -0.363 122.521 122.820 0.107 0.000 2.610 226 A HA 0.575 4.895 4.320 -0.000 0.000 0.291 226 A C -0.664 176.994 177.584 0.124 0.000 1.086 226 A CA -0.555 51.561 52.037 0.132 0.000 0.677 226 A CB 1.687 20.753 19.000 0.111 0.000 1.278 226 A HN 0.002 nan 8.150 nan 0.000 0.414 227 S N 0.395 116.189 115.700 0.155 0.000 2.462 227 S HA 0.357 4.827 4.470 -0.000 0.000 0.294 227 S C 0.145 174.805 174.600 0.101 0.000 1.144 227 S CA -0.623 57.651 58.200 0.123 0.000 1.088 227 S CB 0.574 63.853 63.200 0.132 0.000 1.009 227 S HN 0.651 nan 8.310 nan 0.000 0.484 228 D N 3.303 123.744 120.400 0.067 0.000 1.913 228 D HA -0.013 4.627 4.640 -0.000 0.000 0.280 228 D C 0.774 177.104 176.300 0.050 0.000 1.012 228 D CA 0.768 54.800 54.000 0.054 0.000 0.892 228 D CB 0.046 40.870 40.800 0.040 0.000 1.119 228 D HN 0.518 nan 8.370 nan 0.000 0.434 229 K N 0.923 121.343 120.400 0.034 0.000 2.522 229 K HA 0.025 4.345 4.320 -0.000 0.000 0.194 229 K C 1.499 178.107 176.600 0.014 0.000 1.026 229 K CA 0.156 56.458 56.287 0.026 0.000 1.119 229 K CB 0.362 32.873 32.500 0.019 0.000 0.856 229 K HN 0.133 nan 8.250 nan 0.000 0.513 230 E N 1.515 121.721 120.200 0.010 0.000 2.107 230 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 230 E C 1.211 177.786 176.600 -0.040 0.000 0.982 230 E CA 0.955 57.333 56.400 -0.037 0.000 0.809 230 E CB 0.130 29.792 29.700 -0.064 0.000 0.756 230 E HN 0.280 nan 8.360 nan 0.000 0.459 231 K N 1.049 121.478 120.400 0.047 0.000 2.520 231 K HA -0.086 4.234 4.320 -0.000 0.000 0.197 231 K C 1.866 178.505 176.600 0.065 0.000 1.043 231 K CA 0.482 56.840 56.287 0.118 0.000 0.944 231 K CB -0.186 32.416 32.500 0.170 0.000 0.770 231 K HN 0.034 nan 8.250 nan 0.000 0.480 232 A N 2.106 124.942 122.820 0.027 0.000 2.127 232 A HA -0.331 3.989 4.320 -0.000 0.000 0.225 232 A C 1.978 179.574 177.584 0.020 0.000 1.543 232 A CA 2.610 54.658 52.037 0.018 0.000 0.873 232 A CB -0.318 18.683 19.000 0.003 0.000 0.808 232 A HN 0.395 nan 8.150 nan 0.000 0.510 233 K N -4.058 116.346 120.400 0.006 0.000 2.633 233 K HA 0.049 4.369 4.320 -0.000 0.000 0.166 233 K C 0.098 176.696 176.600 -0.002 0.000 1.858 233 K CA 0.347 56.640 56.287 0.011 0.000 1.287 233 K CB 0.131 32.638 32.500 0.013 0.000 1.944 233 K HN 0.538 nan 8.250 nan 0.000 0.583 234 D N 0.925 121.314 120.400 -0.018 0.000 2.132 234 D HA -0.035 4.605 4.640 -0.000 0.000 0.265 234 D C -0.203 176.065 176.300 -0.053 0.000 1.194 234 D CA 0.230 54.215 54.000 -0.026 0.000 0.988 234 D CB 0.327 41.109 40.800 -0.029 0.000 1.167 234 D HN -0.022 nan 8.370 nan 0.000 0.517 235 L N 1.805 122.985 121.223 -0.072 0.000 2.282 235 L HA 0.278 4.617 4.340 -0.000 0.000 0.287 235 L C -2.321 174.411 176.870 -0.230 0.000 1.075 235 L CA -1.253 53.516 54.840 -0.119 0.000 0.839 235 L CB 0.803 42.818 42.059 -0.075 0.000 1.219 235 L HN -0.011 nan 8.230 nan 0.000 0.434 236 P HA 0.172 nan 4.420 nan 0.000 0.271 236 P C -0.758 176.057 177.300 -0.809 0.000 1.216 236 P CA -0.142 62.554 63.100 -0.673 0.000 0.776 236 P CB 0.503 31.545 31.700 -1.096 0.000 0.881 237 T N 3.693 117.957 114.554 -0.483 0.000 3.598 237 T HA 0.287 4.637 4.350 -0.000 0.000 0.343 237 T C 0.292 174.885 174.700 -0.178 0.000 1.697 237 T CA -0.273 61.660 62.100 -0.278 0.000 1.247 237 T CB -1.351 67.444 68.868 -0.122 0.000 1.210 237 T HN 0.174 nan 8.240 nan 0.000 0.820 238 F N 2.209 122.122 119.950 -0.062 0.000 2.626 238 F HA 0.100 4.626 4.527 -0.000 0.000 0.354 238 F C 1.425 177.337 175.800 0.186 0.000 1.168 238 F CA -0.069 57.949 58.000 0.029 0.000 1.368 238 F CB 0.639 39.582 39.000 -0.095 0.000 1.092 238 F HN 0.129 nan 8.300 nan 0.000 0.612 239 K N 1.180 121.841 120.400 0.434 0.000 2.316 239 K HA 0.231 4.551 4.320 -0.000 0.000 0.234 239 K C 0.189 176.971 176.600 0.304 0.000 1.054 239 K CA -0.883 55.580 56.287 0.294 0.000 0.879 239 K CB 1.049 33.658 32.500 0.182 0.000 1.252 239 K HN 0.435 nan 8.250 nan 0.000 0.471 240 D N 1.098 121.596 120.400 0.163 0.000 2.355 240 D HA -0.257 4.383 4.640 -0.000 0.000 0.192 240 D C 1.343 177.844 176.300 0.334 0.000 1.014 240 D CA 1.974 56.084 54.000 0.184 0.000 0.862 240 D CB -0.102 40.728 40.800 0.051 0.000 0.986 240 D HN 0.414 nan 8.370 nan 0.000 0.456 241 N N 0.357 119.203 118.700 0.242 0.000 2.289 241 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 241 N C 1.076 176.699 175.510 0.189 0.000 1.016 241 N CA 0.809 53.981 53.050 0.204 0.000 0.872 241 N CB -0.231 38.340 38.487 0.141 0.000 0.973 241 N HN 0.252 nan 8.380 nan 0.000 0.433 242 D N 0.008 120.546 120.400 0.230 0.000 2.084 242 D HA -0.125 4.514 4.640 -0.000 0.000 0.194 242 D C 1.666 178.092 176.300 0.211 0.000 0.990 242 D CA 0.625 54.737 54.000 0.187 0.000 0.826 242 D CB -0.498 40.454 40.800 0.254 0.000 0.971 242 D HN 0.256 nan 8.370 nan 0.000 0.453 243 F N 0.703 120.758 119.950 0.173 0.000 2.186 243 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 243 F C 2.006 177.784 175.800 -0.036 0.000 1.090 243 F CA 0.696 58.701 58.000 0.008 0.000 1.307 243 F CB -0.058 38.833 39.000 -0.182 0.000 1.019 243 F HN -0.100 nan 8.300 nan 0.000 0.489 244 L N 1.741 123.105 121.223 0.235 0.000 2.056 244 L HA -0.216 4.124 4.340 -0.000 0.000 0.207 244 L C 2.208 179.042 176.870 -0.060 0.000 1.078 244 L CA 2.192 57.078 54.840 0.077 0.000 0.749 244 L CB -1.260 40.903 42.059 0.173 0.000 0.901 244 L HN 0.435 nan 8.230 nan 0.000 0.433 245 N N -0.831 117.855 118.700 -0.022 0.000 2.354 245 N HA -0.183 4.557 4.740 -0.000 0.000 0.179 245 N C 1.396 176.849 175.510 -0.095 0.000 1.021 245 N CA 1.235 54.257 53.050 -0.047 0.000 0.887 245 N CB -0.710 37.769 38.487 -0.013 0.000 0.974 245 N HN 0.456 nan 8.380 nan 0.000 0.437 246 E N -0.153 119.966 120.200 -0.135 0.000 2.526 246 E HA 0.096 4.446 4.350 -0.000 0.000 0.198 246 E C 0.455 176.935 176.600 -0.199 0.000 1.091 246 E CA 0.242 56.547 56.400 -0.158 0.000 0.880 246 E CB -0.618 28.989 29.700 -0.154 0.000 0.873 246 E HN 0.569 nan 8.360 nan 0.000 0.527 247 G N 2.017 110.683 108.800 -0.223 0.000 2.341 247 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.292 247 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.292 247 G C 0.076 174.799 174.900 -0.295 0.000 1.021 247 G CA -0.033 44.936 45.100 -0.217 0.000 0.905 247 G HN 0.202 nan 8.290 nan 0.000 0.508 248 Q N -0.239 119.251 119.800 -0.517 0.000 2.520 248 Q HA 0.035 4.375 4.340 -0.000 0.000 0.320 248 Q C 0.729 176.452 176.000 -0.462 0.000 1.104 248 Q CA 1.080 56.492 55.803 -0.651 0.000 1.062 248 Q CB 0.250 28.066 28.738 -1.536 0.000 1.005 248 Q HN 0.568 nan 8.270 nan 0.000 0.390 249 K N 3.055 123.273 120.400 -0.303 0.000 2.297 249 K HA 0.310 4.630 4.320 -0.000 0.000 0.286 249 K C -0.100 176.204 176.600 -0.493 0.000 1.053 249 K CA -0.233 55.831 56.287 -0.371 0.000 0.940 249 K CB 0.879 33.348 32.500 -0.051 0.000 1.019 249 K HN 0.293 nan 8.250 nan 0.000 0.475 250 L N 4.812 125.577 121.223 -0.763 0.000 2.448 250 L HA 0.181 4.521 4.340 -0.000 0.000 0.257 250 L C -1.443 175.032 176.870 -0.658 0.000 1.504 250 L CA -0.438 53.970 54.840 -0.721 0.000 0.852 250 L CB 0.235 41.983 42.059 -0.517 0.000 1.051 250 L HN 0.794 nan 8.230 nan 0.000 0.518 251 H N 0.377 119.416 119.070 -0.052 0.000 2.820 251 H HA 0.312 4.868 4.556 -0.000 0.000 0.278 251 H C 1.139 176.515 175.328 0.079 0.000 1.142 251 H CA -0.467 55.583 56.048 0.003 0.000 1.346 251 H CB 1.095 30.887 29.762 0.051 0.000 1.438 251 H HN 0.115 nan 8.280 nan 0.000 0.473 252 V N 2.285 122.195 119.914 -0.006 0.000 3.174 252 V HA 0.270 4.390 4.120 -0.000 0.000 0.254 252 V C 1.499 177.548 176.094 -0.074 0.000 1.120 252 V CA 1.106 63.365 62.300 -0.069 0.000 1.114 252 V CB -0.363 31.253 31.823 -0.345 0.000 0.756 252 V HN 1.161 nan 8.190 nan 0.000 0.467 253 G N 0.165 108.948 108.800 -0.028 0.000 2.352 253 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.324 253 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.324 253 G C 0.094 174.977 174.900 -0.027 0.000 1.249 253 G CA 0.181 45.270 45.100 -0.019 0.000 1.053 253 G HN 0.125 nan 8.290 nan 0.000 0.492 254 E N -1.115 119.075 120.200 -0.017 0.000 2.508 254 E HA 0.170 4.520 4.350 -0.000 0.000 0.217 254 E C 1.754 178.353 176.600 -0.001 0.000 0.896 254 E CA 0.838 57.234 56.400 -0.006 0.000 1.118 254 E CB 0.407 30.107 29.700 0.001 0.000 1.133 254 E HN 0.341 nan 8.360 nan 0.000 0.526 255 E N 0.201 120.398 120.200 -0.006 0.000 2.140 255 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 255 E C 1.760 178.366 176.600 0.009 0.000 0.973 255 E CA 1.245 57.648 56.400 0.005 0.000 0.829 255 E CB -0.177 29.526 29.700 0.005 0.000 0.781 255 E HN 0.049 nan 8.360 nan 0.000 0.466 256 S N -0.414 115.269 115.700 -0.029 0.000 2.414 256 S HA -0.034 4.436 4.470 -0.000 0.000 0.227 256 S C 1.851 176.444 174.600 -0.013 0.000 1.022 256 S CA 1.150 59.319 58.200 -0.052 0.000 0.958 256 S CB -0.297 62.766 63.200 -0.228 0.000 0.797 256 S HN 0.312 nan 8.310 nan 0.000 0.493 257 K N 1.161 121.540 120.400 -0.036 0.000 2.147 257 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 257 K C 2.208 178.902 176.600 0.157 0.000 1.049 257 K CA 1.328 57.642 56.287 0.045 0.000 0.936 257 K CB -0.195 32.306 32.500 0.001 0.000 0.722 257 K HN 0.299 nan 8.250 nan 0.000 0.446 258 K N 0.749 121.209 120.400 0.100 0.000 2.001 258 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 258 K C 1.583 178.255 176.600 0.119 0.000 1.048 258 K CA 2.038 58.382 56.287 0.095 0.000 0.932 258 K CB -0.144 32.390 32.500 0.057 0.000 0.715 258 K HN 0.281 nan 8.250 nan 0.000 0.437 259 N N -0.148 118.627 118.700 0.126 0.000 2.223 259 N HA -0.169 4.571 4.740 -0.000 0.000 0.185 259 N C 1.656 177.281 175.510 0.192 0.000 1.016 259 N CA 1.235 54.364 53.050 0.132 0.000 0.863 259 N CB -0.201 38.362 38.487 0.126 0.000 0.983 259 N HN 0.174 nan 8.380 nan 0.000 0.429 260 F N 1.662 121.687 119.950 0.124 0.000 2.074 260 F HA 0.028 4.555 4.527 -0.000 0.000 0.293 260 F C 1.829 177.694 175.800 0.108 0.000 1.116 260 F CA 1.039 59.133 58.000 0.158 0.000 1.212 260 F CB -0.353 38.812 39.000 0.275 0.000 0.998 260 F HN -0.100 nan 8.300 nan 0.000 0.471 261 L N 0.288 121.607 121.223 0.160 0.000 2.187 261 L HA -0.206 4.134 4.340 -0.000 0.000 0.213 261 L C 2.301 179.146 176.870 -0.041 0.000 1.100 261 L CA 1.539 56.382 54.840 0.005 0.000 0.765 261 L CB -0.648 41.500 42.059 0.147 0.000 0.904 261 L HN 0.314 nan 8.230 nan 0.000 0.437 262 E N -0.203 119.998 120.200 0.001 0.000 2.112 262 E HA -0.223 4.127 4.350 -0.000 0.000 0.190 262 E C 2.089 178.676 176.600 -0.022 0.000 0.979 262 E CA 0.706 57.108 56.400 0.003 0.000 0.814 262 E CB 0.086 29.799 29.700 0.022 0.000 0.762 262 E HN 0.359 nan 8.360 nan 0.000 0.460 263 K N 1.064 121.429 120.400 -0.058 0.000 2.103 263 K HA -0.135 4.184 4.320 -0.000 0.000 0.204 263 K C 2.210 178.742 176.600 -0.113 0.000 1.052 263 K CA 0.584 56.827 56.287 -0.073 0.000 0.945 263 K CB 0.037 32.494 32.500 -0.071 0.000 0.722 263 K HN 0.031 nan 8.250 nan 0.000 0.443 264 L N 1.985 123.059 121.223 -0.248 0.000 2.056 264 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 264 L C 2.356 179.197 176.870 -0.049 0.000 1.078 264 L CA 1.755 56.462 54.840 -0.221 0.000 0.749 264 L CB -0.522 41.283 42.059 -0.424 0.000 0.901 264 L HN 0.130 nan 8.230 nan 0.000 0.433 265 K N 0.227 120.609 120.400 -0.030 0.000 2.044 265 K HA -0.267 4.052 4.320 -0.000 0.000 0.210 265 K C 2.229 178.853 176.600 0.039 0.000 1.049 265 K CA 2.148 58.448 56.287 0.021 0.000 0.927 265 K CB -0.166 32.348 32.500 0.023 0.000 0.713 265 K HN 0.551 nan 8.250 nan 0.000 0.443 266 R N -0.343 120.193 120.500 0.060 0.000 2.193 266 R HA -0.009 4.331 4.340 -0.000 0.000 0.213 266 R C 1.261 177.647 176.300 0.144 0.000 1.055 266 R CA 1.350 57.519 56.100 0.115 0.000 0.995 266 R CB -0.045 30.362 30.300 0.178 0.000 0.893 266 R HN 0.154 nan 8.270 nan 0.000 0.459 267 D N 1.160 121.641 120.400 0.135 0.000 2.107 267 D HA -0.065 4.575 4.640 -0.000 0.000 0.204 267 D C 2.091 178.375 176.300 -0.027 0.000 0.978 267 D CA 1.381 55.452 54.000 0.119 0.000 0.852 267 D CB -0.311 40.532 40.800 0.072 0.000 1.008 267 D HN 0.062 nan 8.370 nan 0.000 0.458 268 V N 1.296 121.159 119.914 -0.085 0.000 2.688 268 V HA -0.206 3.914 4.120 -0.000 0.000 0.256 268 V C 2.307 178.353 176.094 -0.079 0.000 1.084 268 V CA 1.559 63.758 62.300 -0.169 0.000 1.103 268 V CB -0.517 31.273 31.823 -0.055 0.000 0.688 268 V HN 0.218 nan 8.190 nan 0.000 0.480 269 E N -0.327 119.855 120.200 -0.030 0.000 2.112 269 E HA -0.178 4.172 4.350 -0.000 0.000 0.190 269 E C 2.033 178.587 176.600 -0.076 0.000 0.979 269 E CA 1.000 57.384 56.400 -0.027 0.000 0.814 269 E CB -0.096 29.606 29.700 0.003 0.000 0.762 269 E HN 0.623 nan 8.360 nan 0.000 0.460 270 F N 1.331 121.101 119.950 -0.301 0.000 2.084 270 F HA -0.143 4.384 4.527 -0.000 0.000 0.296 270 F C 1.804 177.418 175.800 -0.308 0.000 1.111 270 F CA 1.312 59.037 58.000 -0.458 0.000 1.224 270 F CB -0.217 38.161 39.000 -1.037 0.000 0.991 270 F HN -0.042 nan 8.300 nan 0.000 0.471 271 L N 0.382 121.481 121.223 -0.207 0.000 2.079 271 L HA -0.215 4.124 4.340 -0.000 0.000 0.210 271 L C 2.847 179.583 176.870 -0.224 0.000 1.081 271 L CA 1.149 55.822 54.840 -0.277 0.000 0.752 271 L CB -1.418 40.443 42.059 -0.330 0.000 0.896 271 L HN 0.332 nan 8.230 nan 0.000 0.433 272 A N -0.357 122.375 122.820 -0.147 0.000 1.873 272 A HA -0.280 4.040 4.320 -0.000 0.000 0.215 272 A C 2.268 179.776 177.584 -0.126 0.000 1.186 272 A CA 1.722 53.718 52.037 -0.069 0.000 0.616 272 A CB -0.593 18.392 19.000 -0.025 0.000 0.823 272 A HN 0.447 nan 8.150 nan 0.000 0.442 273 Q N -0.512 119.168 119.800 -0.200 0.000 2.152 273 Q HA -0.190 4.149 4.340 -0.000 0.000 0.206 273 Q C 1.758 177.618 176.000 -0.233 0.000 0.985 273 Q CA 1.673 57.349 55.803 -0.212 0.000 0.863 273 Q CB -0.265 28.312 28.738 -0.269 0.000 0.904 273 Q HN 0.728 nan 8.270 nan 0.000 0.422 274 L N -0.797 120.230 121.223 -0.326 0.000 1.958 274 L HA -0.027 4.313 4.340 -0.000 0.000 0.211 274 L C 2.105 178.891 176.870 -0.140 0.000 1.139 274 L CA 1.363 56.047 54.840 -0.260 0.000 0.815 274 L CB -0.120 41.739 42.059 -0.332 0.000 0.910 274 L HN 0.101 nan 8.230 nan 0.000 0.456 275 K N -1.367 118.974 120.400 -0.100 0.000 2.343 275 K HA 0.156 4.476 4.320 -0.000 0.000 0.168 275 K C 0.054 176.667 176.600 0.022 0.000 1.857 275 K CA -0.103 56.164 56.287 -0.033 0.000 1.014 275 K CB 0.442 32.922 32.500 -0.034 0.000 1.735 275 K HN 0.120 nan 8.250 nan 0.000 0.527 276 I N 2.949 123.533 120.570 0.024 0.000 2.919 276 I HA -0.086 4.084 4.170 -0.000 0.000 0.303 276 I C 0.514 176.814 176.117 0.306 0.000 1.221 276 I CA 1.082 62.458 61.300 0.126 0.000 1.444 276 I CB 0.228 38.275 38.000 0.078 0.000 1.331 276 I HN 0.257 nan 8.210 nan 0.000 0.572 277 M N 3.116 122.909 119.600 0.322 0.000 3.213 277 M HA 0.204 4.684 4.480 -0.000 0.000 0.278 277 M C -0.364 176.029 176.300 0.155 0.000 1.332 277 M CA -0.511 54.958 55.300 0.281 0.000 0.810 277 M CB 2.016 34.676 32.600 0.099 0.000 1.676 277 M HN 0.675 nan 8.290 nan 0.000 0.463 278 D N -0.479 119.937 120.400 0.028 0.000 3.006 278 D HA -0.210 4.430 4.640 -0.000 0.000 0.208 278 D C -0.748 175.606 176.300 0.090 0.000 1.116 278 D CA 1.394 55.388 54.000 -0.012 0.000 0.998 278 D CB -1.766 39.015 40.800 -0.031 0.000 1.124 278 D HN 0.571 nan 8.370 nan 0.000 0.413 279 Y N 1.411 121.874 120.300 0.272 0.000 2.379 279 Y HA 0.469 5.019 4.550 -0.000 0.000 0.337 279 Y C 0.882 176.882 175.900 0.167 0.000 1.238 279 Y CA -0.626 57.545 58.100 0.119 0.000 1.405 279 Y CB 0.657 39.098 38.460 -0.032 0.000 1.310 279 Y HN -0.044 nan 8.280 nan 0.000 0.569 280 S N 2.417 118.341 115.700 0.373 0.000 2.745 280 S HA 0.710 5.179 4.470 -0.000 0.000 0.306 280 S C -1.386 173.514 174.600 0.501 0.000 1.137 280 S CA -1.103 57.357 58.200 0.433 0.000 0.900 280 S CB 1.825 65.158 63.200 0.222 0.000 1.176 280 S HN 0.882 nan 8.310 nan 0.000 0.520 281 L N 1.198 122.658 121.223 0.396 0.000 2.287 281 L HA 0.578 4.918 4.340 -0.000 0.000 0.287 281 L C -0.970 176.017 176.870 0.194 0.000 1.022 281 L CA -0.765 54.266 54.840 0.318 0.000 0.814 281 L CB 1.034 43.196 42.059 0.173 0.000 1.217 281 L HN 0.769 nan 8.230 nan 0.000 0.420 282 L N 6.007 127.354 121.223 0.207 0.000 2.305 282 L HA 0.492 4.832 4.340 -0.000 0.000 0.281 282 L C -1.008 176.052 176.870 0.317 0.000 1.085 282 L CA -0.477 54.497 54.840 0.224 0.000 0.813 282 L CB 1.485 43.620 42.059 0.126 0.000 1.157 282 L HN 0.449 nan 8.230 nan 0.000 0.436 283 V N 4.021 124.171 119.914 0.392 0.000 2.443 283 V HA 0.542 4.662 4.120 -0.000 0.000 0.293 283 V C 0.339 176.720 176.094 0.479 0.000 1.021 283 V CA -0.534 62.016 62.300 0.416 0.000 0.848 283 V CB 1.580 33.591 31.823 0.314 0.000 0.998 283 V HN 0.886 nan 8.190 nan 0.000 0.424 284 G N 4.941 114.003 108.800 0.437 0.000 2.470 284 G HA2 0.782 4.742 3.960 -0.000 0.000 0.320 284 G HA3 0.782 4.742 3.960 -0.000 0.000 0.320 284 G C -1.012 174.020 174.900 0.220 0.000 1.245 284 G CA -0.510 44.648 45.100 0.097 0.000 0.935 284 G HN 0.590 nan 8.290 nan 0.000 0.476 285 I N 1.746 122.414 120.570 0.165 0.000 2.441 285 I HA 0.345 4.515 4.170 -0.000 0.000 0.295 285 I C -0.527 175.640 176.117 0.082 0.000 0.994 285 I CA -0.916 60.472 61.300 0.146 0.000 1.144 285 I CB 2.268 40.434 38.000 0.277 0.000 1.314 285 I HN 0.485 nan 8.210 nan 0.000 0.445 286 H N 6.044 125.026 119.070 -0.146 0.000 2.860 286 H HA 0.217 4.772 4.556 -0.000 0.000 0.312 286 H C -1.556 173.760 175.328 -0.020 0.000 0.995 286 H CA -0.560 55.415 56.048 -0.122 0.000 1.311 286 H CB 1.527 31.205 29.762 -0.139 0.000 1.478 286 H HN 0.577 nan 8.280 nan 0.000 0.508 287 D N 5.157 125.498 120.400 -0.098 0.000 2.339 287 D HA 0.039 4.679 4.640 -0.000 0.000 0.241 287 D C 1.244 177.340 176.300 -0.340 0.000 1.183 287 D CA -0.162 53.751 54.000 -0.146 0.000 0.859 287 D CB 1.569 42.336 40.800 -0.055 0.000 1.067 287 D HN 0.364 nan 8.370 nan 0.000 0.484 288 V N 4.288 124.039 119.914 -0.272 0.000 2.261 288 V HA -0.246 3.873 4.120 -0.000 0.000 0.246 288 V C 1.856 177.899 176.094 -0.085 0.000 1.047 288 V CA 1.501 63.707 62.300 -0.156 0.000 1.015 288 V CB -0.350 31.457 31.823 -0.028 0.000 0.642 288 V HN 0.561 nan 8.190 nan 0.000 0.446 289 D N -0.156 120.201 120.400 -0.072 0.000 2.158 289 D HA -0.223 4.417 4.640 -0.000 0.000 0.197 289 D C 2.245 178.502 176.300 -0.071 0.000 0.995 289 D CA 1.681 55.649 54.000 -0.053 0.000 0.846 289 D CB -0.330 40.441 40.800 -0.049 0.000 0.941 289 D HN 0.423 nan 8.370 nan 0.000 0.456 290 R N 0.718 121.144 120.500 -0.123 0.000 2.092 290 R HA -0.034 4.305 4.340 -0.000 0.000 0.231 290 R C 2.142 178.366 176.300 -0.126 0.000 1.119 290 R CA 1.289 57.279 56.100 -0.182 0.000 0.970 290 R CB -0.120 29.957 30.300 -0.372 0.000 0.864 290 R HN 0.092 nan 8.270 nan 0.000 0.440 291 A N 1.205 124.000 122.820 -0.041 0.000 1.908 291 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 291 A C 1.909 179.526 177.584 0.054 0.000 1.181 291 A CA 1.682 53.775 52.037 0.094 0.000 0.627 291 A CB -0.487 18.599 19.000 0.144 0.000 0.818 291 A HN 0.533 nan 8.150 nan 0.000 0.445 292 E N -0.350 119.864 120.200 0.023 0.000 2.049 292 E HA -0.276 4.074 4.350 -0.000 0.000 0.198 292 E C 2.342 178.949 176.600 0.012 0.000 1.007 292 E CA 1.683 58.096 56.400 0.022 0.000 0.809 292 E CB -0.277 29.430 29.700 0.012 0.000 0.749 292 E HN 0.758 nan 8.360 nan 0.000 0.450 293 Q N 0.594 120.389 119.800 -0.008 0.000 2.077 293 Q HA -0.236 4.104 4.340 -0.000 0.000 0.206 293 Q C 2.139 178.138 176.000 -0.003 0.000 0.989 293 Q CA 1.638 57.433 55.803 -0.013 0.000 0.853 293 Q CB -0.210 28.508 28.738 -0.033 0.000 0.907 293 Q HN 0.356 nan 8.270 nan 0.000 0.418 294 E N 0.758 120.957 120.200 -0.001 0.000 2.077 294 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 294 E C 1.954 178.571 176.600 0.029 0.000 0.989 294 E CA 1.038 57.448 56.400 0.017 0.000 0.800 294 E CB -0.049 29.676 29.700 0.041 0.000 0.746 294 E HN 0.362 nan 8.360 nan 0.000 0.452 295 E N 0.605 120.827 120.200 0.037 0.000 2.106 295 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 295 E C 2.097 178.713 176.600 0.026 0.000 0.984 295 E CA 0.750 57.173 56.400 0.037 0.000 0.806 295 E CB 0.014 29.741 29.700 0.045 0.000 0.750 295 E HN 0.190 nan 8.360 nan 0.000 0.458 296 M N 0.673 120.285 119.600 0.020 0.000 2.067 296 M HA -0.217 4.263 4.480 -0.000 0.000 0.260 296 M C 2.287 178.595 176.300 0.013 0.000 1.069 296 M CA 1.880 57.189 55.300 0.015 0.000 1.117 296 M CB -0.192 32.414 32.600 0.010 0.000 1.334 296 M HN 0.082 nan 8.290 nan 0.000 0.407 297 E N -0.426 119.780 120.200 0.010 0.000 2.097 297 E HA -0.217 4.132 4.350 -0.000 0.000 0.196 297 E C 1.730 178.337 176.600 0.012 0.000 1.000 297 E CA 1.976 58.382 56.400 0.009 0.000 0.804 297 E CB -0.105 29.599 29.700 0.007 0.000 0.740 297 E HN 0.444 nan 8.360 nan 0.000 0.454 298 V N 1.166 121.089 119.914 0.016 0.000 2.332 298 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 298 V C 1.967 178.070 176.094 0.016 0.000 1.055 298 V CA 2.306 64.616 62.300 0.017 0.000 1.038 298 V CB -0.446 31.390 31.823 0.022 0.000 0.651 298 V HN 0.322 nan 8.190 nan 0.000 0.450 299 E N -0.812 119.398 120.200 0.016 0.000 2.285 299 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 299 E C 2.206 178.814 176.600 0.012 0.000 0.997 299 E CA 0.387 56.796 56.400 0.015 0.000 0.845 299 E CB -0.015 29.695 29.700 0.017 0.000 0.782 299 E HN 0.519 nan 8.360 nan 0.000 0.491 300 E N 1.351 121.558 120.200 0.011 0.000 2.158 300 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 300 E C 1.822 178.427 176.600 0.008 0.000 0.982 300 E CA 0.519 56.924 56.400 0.008 0.000 0.823 300 E CB 0.204 29.908 29.700 0.007 0.000 0.766 300 E HN 0.191 nan 8.360 nan 0.000 0.468 301 R N -0.137 120.368 120.500 0.009 0.000 2.115 301 R HA 0.018 4.358 4.340 -0.000 0.000 0.226 301 R C 2.223 178.528 176.300 0.008 0.000 1.100 301 R CA 0.892 56.997 56.100 0.008 0.000 0.980 301 R CB -0.133 30.172 30.300 0.009 0.000 0.875 301 R HN 0.029 nan 8.270 nan 0.000 0.445 302 A N 0.971 123.796 122.820 0.009 0.000 2.168 302 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 302 A C 1.539 179.128 177.584 0.008 0.000 1.152 302 A CA 1.021 53.064 52.037 0.009 0.000 0.716 302 A CB -0.058 18.948 19.000 0.010 0.000 0.794 302 A HN 0.305 nan 8.150 nan 0.000 0.465 303 E N -0.902 119.303 120.200 0.007 0.000 2.201 303 E HA -0.034 4.316 4.350 -0.000 0.000 0.193 303 E C 0.913 177.516 176.600 0.005 0.000 0.957 303 E CA 0.458 56.862 56.400 0.006 0.000 0.858 303 E CB 0.082 29.786 29.700 0.007 0.000 0.816 303 E HN 0.538 nan 8.360 nan 0.000 0.475 304 D N 1.091 121.495 120.400 0.005 0.000 2.429 304 D HA -0.039 4.601 4.640 -0.000 0.000 0.242 304 D C 1.722 178.025 176.300 0.004 0.000 1.076 304 D CA 0.578 54.581 54.000 0.005 0.000 0.955 304 D CB 0.178 40.981 40.800 0.004 0.000 1.076 304 D HN 0.057 nan 8.370 nan 0.000 0.448 305 E N 0.710 120.913 120.200 0.005 0.000 2.160 305 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 305 E C 0.459 177.062 176.600 0.005 0.000 0.991 305 E CA 0.890 57.292 56.400 0.005 0.000 0.810 305 E CB 0.155 29.858 29.700 0.005 0.000 0.742 305 E HN 0.342 nan 8.360 nan 0.000 0.466 343 D N 0.114 120.237 120.400 -0.462 0.000 2.181 343 D HA 0.253 4.893 4.640 -0.000 0.000 0.282 343 D C -2.423 173.685 176.300 -0.319 0.000 1.244 343 D CA 0.393 54.250 54.000 -0.239 0.000 1.190 343 D CB 0.127 40.902 40.800 -0.042 0.000 1.845 343 D HN 0.150 nan 8.370 nan 0.000 0.485 344 P HA 0.320 nan 4.420 nan 0.000 0.304 344 P C -0.469 176.665 177.300 -0.276 0.000 1.310 344 P CA -0.564 62.344 63.100 -0.319 0.000 0.796 344 P CB 0.817 32.373 31.700 -0.239 0.000 1.297 345 S N -1.040 114.581 115.700 -0.131 0.000 2.572 345 S HA 0.136 4.605 4.470 -0.000 0.000 0.262 345 S C 0.051 174.643 174.600 -0.014 0.000 1.375 345 S CA -0.445 57.738 58.200 -0.029 0.000 0.996 345 S CB -0.492 62.745 63.200 0.062 0.000 0.892 345 S HN 0.217 nan 8.310 nan 0.000 0.562 346 V N 2.108 122.058 119.914 0.059 0.000 2.326 346 V HA 0.237 4.357 4.120 -0.000 0.000 0.281 346 V C 0.392 176.517 176.094 0.052 0.000 1.015 346 V CA -0.696 61.643 62.300 0.063 0.000 0.823 346 V CB 0.764 32.679 31.823 0.153 0.000 1.009 346 V HN 0.872 nan 8.190 nan 0.000 0.436 347 D N 2.734 123.152 120.400 0.030 0.000 2.157 347 D HA -0.215 4.424 4.640 -0.000 0.000 0.191 347 D C 2.047 178.357 176.300 0.016 0.000 1.004 347 D CA 1.972 55.993 54.000 0.036 0.000 0.854 347 D CB 0.083 40.899 40.800 0.028 0.000 0.936 347 D HN 0.456 nan 8.370 nan 0.000 0.446 348 V N -0.753 119.125 119.914 -0.061 0.000 2.270 348 V HA -0.269 3.851 4.120 -0.000 0.000 0.245 348 V C 1.751 177.820 176.094 -0.042 0.000 1.043 348 V CA 1.608 63.836 62.300 -0.120 0.000 1.014 348 V CB -0.510 31.130 31.823 -0.306 0.000 0.645 348 V HN 0.310 nan 8.190 nan 0.000 0.447 349 Y N 0.954 121.290 120.300 0.060 0.000 2.109 349 Y HA 0.251 4.800 4.550 -0.000 0.000 0.281 349 Y C 1.943 177.873 175.900 0.050 0.000 1.113 349 Y CA 0.619 58.748 58.100 0.049 0.000 1.098 349 Y CB -0.461 38.037 38.460 0.064 0.000 0.996 349 Y HN 0.314 nan 8.280 nan 0.000 0.485 350 A N 1.389 124.362 122.820 0.254 0.000 3.004 350 A HA 0.292 4.611 4.320 -0.000 0.000 0.286 350 A C -0.278 177.393 177.584 0.146 0.000 1.632 350 A CA -0.452 51.687 52.037 0.169 0.000 1.339 350 A CB -1.427 17.668 19.000 0.158 0.000 1.136 350 A HN 0.399 nan 8.150 nan 0.000 0.577 351 M N -0.159 119.508 119.600 0.111 0.000 3.512 351 M HA 0.480 4.960 4.480 -0.000 0.000 0.231 351 M C -0.069 176.275 176.300 0.074 0.000 1.345 351 M CA 0.468 55.820 55.300 0.086 0.000 1.504 351 M CB -0.365 32.271 32.600 0.060 0.000 1.074 351 M HN 0.338 nan 8.290 nan 0.000 0.615 352 K N -0.974 119.495 120.400 0.115 0.000 2.582 352 K HA 0.116 4.435 4.320 -0.000 0.000 0.191 352 K C -0.120 176.554 176.600 0.124 0.000 1.593 352 K CA 0.221 56.570 56.287 0.103 0.000 1.040 352 K CB 0.678 33.257 32.500 0.132 0.000 1.374 352 K HN 0.644 nan 8.250 nan 0.000 0.608 353 S N 0.131 115.956 115.700 0.207 0.000 2.600 353 S HA 0.256 4.726 4.470 -0.000 0.000 0.265 353 S C -0.335 174.333 174.600 0.113 0.000 1.325 353 S CA -0.089 58.213 58.200 0.171 0.000 1.002 353 S CB 0.647 63.973 63.200 0.210 0.000 0.921 353 S HN 0.266 nan 8.310 nan 0.000 0.554 354 H N -0.222 118.840 119.070 -0.013 0.000 3.083 354 H HA 0.273 4.829 4.556 -0.000 0.000 0.339 354 H C -0.923 174.396 175.328 -0.014 0.000 1.020 354 H CA -0.646 55.427 56.048 0.043 0.000 1.360 354 H CB 1.351 31.188 29.762 0.125 0.000 1.811 354 H HN 0.749 nan 8.280 nan 0.000 0.493 355 E N 1.709 121.957 120.200 0.080 0.000 2.343 355 E HA 0.142 4.492 4.350 -0.000 0.000 0.269 355 E C -0.195 176.419 176.600 0.023 0.000 1.047 355 E CA -0.588 55.803 56.400 -0.015 0.000 0.874 355 E CB 1.257 30.956 29.700 -0.003 0.000 1.033 355 E HN 0.519 nan 8.360 nan 0.000 0.409 356 S N 1.253 116.932 115.700 -0.034 0.000 2.564 356 S HA 0.011 4.481 4.470 -0.000 0.000 0.278 356 S C 1.153 175.799 174.600 0.077 0.000 1.333 356 S CA -0.581 57.686 58.200 0.112 0.000 1.048 356 S CB 1.724 64.943 63.200 0.031 0.000 0.900 356 S HN 0.517 nan 8.310 nan 0.000 0.505 357 S N 2.237 118.002 115.700 0.109 0.000 2.392 357 S HA -0.022 4.448 4.470 -0.000 0.000 0.232 357 S C -1.580 173.020 174.600 0.001 0.000 1.041 357 S CA 0.929 59.153 58.200 0.040 0.000 1.026 357 S CB -1.229 61.995 63.200 0.041 0.000 0.845 357 S HN 0.782 nan 8.310 nan 0.000 0.465 358 P HA 0.344 nan 4.420 nan 0.000 0.296 358 P C -1.208 176.077 177.300 -0.024 0.000 1.310 358 P CA -0.691 62.385 63.100 -0.041 0.000 0.900 358 P CB 0.826 32.472 31.700 -0.090 0.000 1.111 359 K N 2.660 123.049 120.400 -0.018 0.000 2.245 359 K HA 0.036 4.356 4.320 -0.000 0.000 0.281 359 K C 0.550 177.137 176.600 -0.022 0.000 1.079 359 K CA 0.437 56.718 56.287 -0.010 0.000 1.000 359 K CB -0.204 32.300 32.500 0.007 0.000 1.038 359 K HN 0.416 nan 8.250 nan 0.000 0.430 360 K N 2.877 123.254 120.400 -0.038 0.000 2.479 360 K HA 0.068 4.388 4.320 -0.000 0.000 0.175 360 K C -0.760 175.790 176.600 -0.085 0.000 1.873 360 K CA 0.046 56.305 56.287 -0.047 0.000 1.147 360 K CB 0.695 33.174 32.500 -0.035 0.000 1.777 360 K HN 0.542 nan 8.250 nan 0.000 0.558 361 E N 0.191 120.306 120.200 -0.143 0.000 2.437 361 E HA 0.369 4.719 4.350 -0.000 0.000 0.280 361 E C -1.706 174.643 176.600 -0.418 0.000 1.044 361 E CA -1.025 55.214 56.400 -0.269 0.000 0.826 361 E CB 2.969 32.458 29.700 -0.351 0.000 1.358 361 E HN -0.083 nan 8.360 nan 0.000 0.459 362 V N 1.502 121.116 119.914 -0.501 0.000 2.638 362 V HA 0.417 4.537 4.120 -0.000 0.000 0.306 362 V C -1.433 174.146 176.094 -0.857 0.000 1.052 362 V CA -0.883 61.059 62.300 -0.598 0.000 0.885 362 V CB 0.945 32.499 31.823 -0.449 0.000 0.999 362 V HN 0.558 nan 8.190 nan 0.000 0.424 363 Y N 3.223 123.278 120.300 -0.408 0.000 2.420 363 Y HA 0.718 5.268 4.550 -0.000 0.000 0.334 363 Y C -0.428 175.185 175.900 -0.478 0.000 1.094 363 Y CA -0.831 57.055 58.100 -0.355 0.000 1.126 363 Y CB 1.739 40.146 38.460 -0.087 0.000 1.217 363 Y HN 0.532 nan 8.280 nan 0.000 0.462 364 F N 3.321 123.414 119.950 0.239 0.000 2.434 364 F HA 0.577 5.104 4.527 -0.000 0.000 0.355 364 F C -0.615 175.331 175.800 0.244 0.000 1.115 364 F CA -0.684 57.446 58.000 0.216 0.000 1.010 364 F CB 0.970 40.158 39.000 0.314 0.000 1.234 364 F HN 0.234 nan 8.300 nan 0.000 0.439 365 M N 3.573 123.344 119.600 0.284 0.000 2.327 365 M HA 0.849 5.329 4.480 -0.000 0.000 0.298 365 M C -0.846 175.597 176.300 0.238 0.000 1.065 365 M CA -0.569 54.881 55.300 0.249 0.000 0.916 365 M CB 2.559 35.256 32.600 0.161 0.000 1.630 365 M HN 0.584 nan 8.290 nan 0.000 0.442 366 A N 2.781 125.734 122.820 0.222 0.000 2.594 366 A HA 0.762 5.082 4.320 -0.000 0.000 0.296 366 A C -1.013 176.672 177.584 0.169 0.000 1.061 366 A CA -0.759 51.373 52.037 0.158 0.000 0.689 366 A CB 1.138 20.181 19.000 0.072 0.000 1.280 366 A HN 0.855 nan 8.150 nan 0.000 0.406 367 I N 1.446 122.106 120.570 0.149 0.000 2.813 367 I HA 0.058 4.228 4.170 -0.000 0.000 0.287 367 I C 0.826 177.008 176.117 0.108 0.000 1.196 367 I CA 0.331 61.726 61.300 0.158 0.000 1.421 367 I CB 0.615 38.606 38.000 -0.014 0.000 1.365 367 I HN 0.741 nan 8.210 nan 0.000 0.591 368 I N 2.014 122.679 120.570 0.159 0.000 3.878 368 I HA 0.034 4.204 4.170 -0.000 0.000 0.273 368 I C 0.911 177.134 176.117 0.176 0.000 1.165 368 I CA 0.712 62.095 61.300 0.139 0.000 1.360 368 I CB 0.183 38.252 38.000 0.115 0.000 1.539 368 I HN 0.437 nan 8.210 nan 0.000 0.447 369 D N 2.033 122.564 120.400 0.220 0.000 2.856 369 D HA 0.139 4.779 4.640 -0.000 0.000 0.242 369 D C 1.966 178.408 176.300 0.238 0.000 1.226 369 D CA 0.198 54.331 54.000 0.221 0.000 0.855 369 D CB -0.101 40.819 40.800 0.200 0.000 1.065 369 D HN 0.339 nan 8.370 nan 0.000 0.462 370 I N -0.208 120.493 120.570 0.218 0.000 2.597 370 I HA -0.269 3.901 4.170 -0.000 0.000 0.262 370 I C 0.836 177.050 176.117 0.161 0.000 1.194 370 I CA 1.053 62.470 61.300 0.194 0.000 1.437 370 I CB 0.338 38.488 38.000 0.249 0.000 1.096 370 I HN 0.114 nan 8.210 nan 0.000 0.451 371 L N -1.195 120.109 121.223 0.136 0.000 3.277 371 L HA 0.297 4.637 4.340 -0.000 0.000 0.178 371 L C 0.611 177.517 176.870 0.060 0.000 1.384 371 L CA 0.121 54.998 54.840 0.061 0.000 1.254 371 L CB -0.279 41.782 42.059 0.004 0.000 1.593 371 L HN 0.000 nan 8.230 nan 0.000 0.748 392 G N -0.905 107.897 108.800 0.003 0.000 4.148 392 G HA2 0.314 4.274 3.960 -0.000 0.000 0.221 392 G HA3 0.314 4.274 3.960 -0.000 0.000 0.221 392 G C 0.887 175.787 174.900 0.000 0.000 1.373 392 G CA 1.697 46.799 45.100 0.002 0.000 0.940 392 G HN 2.778 nan 8.290 nan 0.000 0.610 393 A N -0.402 122.417 122.820 -0.002 0.000 2.513 393 A HA 0.727 5.047 4.320 -0.000 0.000 0.285 393 A C 0.168 177.748 177.584 -0.008 0.000 1.047 393 A CA 1.157 53.192 52.037 -0.004 0.000 0.864 393 A CB 1.174 20.172 19.000 -0.003 0.000 1.373 393 A HN 0.748 nan 8.150 nan 0.000 0.403 394 E N 2.604 122.798 120.200 -0.010 0.000 2.122 394 E HA 0.057 4.407 4.350 -0.000 0.000 0.190 394 E C 0.177 176.767 176.600 -0.017 0.000 0.977 394 E CA 0.572 56.964 56.400 -0.015 0.000 0.820 394 E CB -0.024 29.668 29.700 -0.014 0.000 0.770 394 E HN 0.774 nan 8.360 nan 0.000 0.462 395 I N 2.607 123.169 120.570 -0.013 0.000 2.366 395 I HA 0.058 4.228 4.170 -0.000 0.000 0.302 395 I C -0.766 175.343 176.117 -0.013 0.000 1.194 395 I CA -0.046 61.246 61.300 -0.014 0.000 1.667 395 I CB -0.182 37.812 38.000 -0.011 0.000 1.501 395 I HN 0.075 nan 8.210 nan 0.000 0.776 396 S N 1.135 116.825 115.700 -0.016 0.000 4.445 396 S HA 0.006 4.475 4.470 -0.000 0.000 0.064 396 S C -0.151 174.439 174.600 -0.017 0.000 0.860 396 S CA -0.533 57.658 58.200 -0.014 0.000 0.857 396 S CB -1.011 62.184 63.200 -0.008 0.000 0.742 396 S HN 0.590 nan 8.310 nan 0.000 0.768 397 T N -0.982 113.557 114.554 -0.026 0.000 2.769 397 T HA 0.836 5.186 4.350 -0.000 0.000 0.258 397 T C 0.170 174.847 174.700 -0.039 0.000 1.008 397 T CA -0.711 61.367 62.100 -0.037 0.000 1.021 397 T CB 0.450 69.285 68.868 -0.055 0.000 1.788 397 T HN 0.732 nan 8.240 nan 0.000 0.577 398 V N 3.264 123.139 119.914 -0.064 0.000 2.509 398 V HA 0.365 4.484 4.120 -0.000 0.000 0.284 398 V C 0.579 176.630 176.094 -0.071 0.000 1.047 398 V CA -1.018 61.246 62.300 -0.060 0.000 0.952 398 V CB 0.656 32.431 31.823 -0.080 0.000 0.988 398 V HN 0.943 nan 8.190 nan 0.000 0.469 399 N N 4.735 123.423 118.700 -0.019 0.000 2.476 399 N HA 0.373 5.112 4.740 -0.000 0.000 0.276 399 N C -2.350 173.188 175.510 0.047 0.000 1.204 399 N CA -1.680 51.368 53.050 -0.003 0.000 0.974 399 N CB 1.751 40.243 38.487 0.008 0.000 1.204 399 N HN 0.121 nan 8.380 nan 0.000 0.543 400 P HA -0.172 nan 4.420 nan 0.000 0.215 400 P C 1.084 178.462 177.300 0.130 0.000 1.163 400 P CA 1.625 64.795 63.100 0.118 0.000 0.894 400 P CB 0.178 31.917 31.700 0.065 0.000 0.791 401 E N -0.895 119.351 120.200 0.076 0.000 2.265 401 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 401 E C 2.007 178.661 176.600 0.089 0.000 0.996 401 E CA 0.980 57.420 56.400 0.066 0.000 0.832 401 E CB -0.357 29.364 29.700 0.036 0.000 0.756 401 E HN 0.386 nan 8.360 nan 0.000 0.491 402 Q N -0.837 119.025 119.800 0.104 0.000 2.250 402 Q HA -0.067 4.272 4.340 -0.000 0.000 0.200 402 Q C 1.888 178.006 176.000 0.196 0.000 0.941 402 Q CA 0.405 56.277 55.803 0.116 0.000 0.872 402 Q CB -0.196 28.592 28.738 0.083 0.000 0.965 402 Q HN 0.325 nan 8.270 nan 0.000 0.480 403 Y N 1.876 122.201 120.300 0.042 0.000 2.293 403 Y HA -0.137 4.413 4.550 -0.000 0.000 0.291 403 Y C 2.219 178.196 175.900 0.129 0.000 1.137 403 Y CA 0.779 58.905 58.100 0.042 0.000 1.202 403 Y CB -0.175 38.259 38.460 -0.044 0.000 0.990 403 Y HN -0.007 nan 8.280 nan 0.000 0.537 404 S N 0.176 115.981 115.700 0.175 0.000 2.354 404 S HA -0.234 4.235 4.470 -0.000 0.000 0.219 404 S C 2.023 176.713 174.600 0.151 0.000 1.035 404 S CA 1.696 59.970 58.200 0.124 0.000 1.037 404 S CB -0.375 62.881 63.200 0.094 0.000 0.956 404 S HN 0.374 nan 8.310 nan 0.000 0.428 405 K N 0.642 121.121 120.400 0.133 0.000 2.152 405 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 405 K C 2.468 179.156 176.600 0.147 0.000 1.048 405 K CA 1.035 57.395 56.287 0.123 0.000 0.933 405 K CB -0.102 32.456 32.500 0.097 0.000 0.721 405 K HN 0.180 nan 8.250 nan 0.000 0.447 406 R N -0.142 120.464 120.500 0.177 0.000 2.062 406 R HA -0.121 4.218 4.340 -0.000 0.000 0.229 406 R C 2.158 178.583 176.300 0.208 0.000 1.128 406 R CA 1.336 57.556 56.100 0.199 0.000 0.960 406 R CB -0.346 30.102 30.300 0.246 0.000 0.855 406 R HN 0.131 nan 8.270 nan 0.000 0.432 407 F N 1.907 121.859 119.950 0.003 0.000 2.095 407 F HA -0.260 4.267 4.527 -0.000 0.000 0.298 407 F C 2.221 178.059 175.800 0.064 0.000 1.104 407 F CA 1.947 59.914 58.000 -0.056 0.000 1.232 407 F CB -0.344 38.526 39.000 -0.216 0.000 0.987 407 F HN 0.129 nan 8.300 nan 0.000 0.475 408 N N 0.611 119.474 118.700 0.272 0.000 2.270 408 N HA -0.215 4.524 4.740 -0.000 0.000 0.181 408 N C 1.912 177.486 175.510 0.108 0.000 1.016 408 N CA 1.432 54.587 53.050 0.175 0.000 0.870 408 N CB -0.316 38.267 38.487 0.160 0.000 0.979 408 N HN 0.598 nan 8.380 nan 0.000 0.431 409 E N -0.817 119.452 120.200 0.117 0.000 2.107 409 E HA -0.149 4.200 4.350 -0.000 0.000 0.191 409 E C 1.857 178.505 176.600 0.080 0.000 0.982 409 E CA 0.529 56.983 56.400 0.090 0.000 0.809 409 E CB -0.170 29.585 29.700 0.092 0.000 0.756 409 E HN 0.347 nan 8.360 nan 0.000 0.459 410 F N 0.760 120.681 119.950 -0.048 0.000 2.060 410 F HA -0.210 4.317 4.527 -0.000 0.000 0.295 410 F C 2.109 177.841 175.800 -0.113 0.000 1.120 410 F CA 1.253 59.204 58.000 -0.081 0.000 1.205 410 F CB 0.007 38.929 39.000 -0.130 0.000 0.986 410 F HN 0.054 nan 8.300 nan 0.000 0.470 411 M N -0.335 119.371 119.600 0.178 0.000 2.279 411 M HA -0.145 4.334 4.480 -0.000 0.000 0.264 411 M C 2.385 178.759 176.300 0.124 0.000 1.062 411 M CA 1.184 56.544 55.300 0.101 0.000 1.099 411 M CB -2.068 30.526 32.600 -0.010 0.000 1.394 411 M HN 0.234 nan 8.290 nan 0.000 0.426 412 S N 0.731 116.487 115.700 0.094 0.000 2.419 412 S HA -0.075 4.395 4.470 -0.000 0.000 0.233 412 S C 1.702 176.321 174.600 0.032 0.000 1.016 412 S CA 1.082 59.338 58.200 0.092 0.000 0.974 412 S CB -0.145 63.094 63.200 0.066 0.000 0.786 412 S HN 0.536 nan 8.310 nan 0.000 0.492 413 N N 0.416 119.096 118.700 -0.034 0.000 2.392 413 N HA 0.166 4.906 4.740 -0.000 0.000 0.177 413 N C 1.585 177.050 175.510 -0.076 0.000 1.066 413 N CA 0.454 53.457 53.050 -0.078 0.000 0.895 413 N CB 0.001 38.402 38.487 -0.144 0.000 0.988 413 N HN 0.427 nan 8.380 nan 0.000 0.457 414 I N 2.046 122.586 120.570 -0.051 0.000 2.069 414 I HA -0.221 3.949 4.170 -0.000 0.000 0.237 414 I C 1.114 177.171 176.117 -0.099 0.000 1.053 414 I CA 1.054 62.359 61.300 0.008 0.000 1.311 414 I CB -0.397 37.575 38.000 -0.047 0.000 1.030 414 I HN 0.060 nan 8.210 nan 0.000 0.398 415 L N -0.145 120.984 121.223 -0.157 0.000 2.399 415 L HA 0.504 4.844 4.340 -0.000 0.000 0.266 415 L C 0.117 176.906 176.870 -0.135 0.000 1.114 415 L CA -0.611 54.093 54.840 -0.226 0.000 0.804 415 L CB 0.866 42.736 42.059 -0.314 0.000 1.146 415 L HN 0.148 nan 8.230 nan 0.000 0.451 416 T N 0.000 114.477 114.554 -0.128 0.000 3.816 416 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 416 T CA 0.000 62.068 62.100 -0.054 0.000 1.349 416 T CB 0.000 68.853 68.868 -0.025 0.000 0.612 416 T HN 0.000 nan 8.240 nan 0.000 0.658