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 3cx5_1_C DATA FIRST_RESID 1 DATA SEQUENCE MAFRKSNVYL SLVNSYIIDS PQPSSINYWW NMGSLLGLCL VIQIVTGIFM DATA SEQUENCE AMHYSSNIEL AFSSVEHIMR DVHNGYILRY LHANGASFFF MVMFMHMAKG DATA SEQUENCE LYYGSYRSPR VTLWNVGVII FILTIATAFL GYCCVYGQMS HWGATVITNL DATA SEQUENCE FSAIPFVGND IVSWLWGGFS VSNPTIQRFF ALHYLVPFII AAMVIMHLMA DATA SEQUENCE LHIHGSSNPL GITGNLDRIP MHSYFIFKDL VTVFLFMLIL ALFVFYSPNT DATA SEQUENCE LGHPDNYIPG NPLVTPASIV PEWYLLPFYA ILRSIPDKLL GVITMFAAIL DATA SEQUENCE VLLVLPFTDR SVVRGNTFKV LSKFFFFIFV FNFVLLGQIG ACHVEVPYVL DATA SEQUENCE MGQIATFIYF AYFLIIVPVI STIENVLFYI GRVNK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.340 176.300 0.067 0.000 1.140 1 M CA 0.000 55.326 55.300 0.043 0.000 0.988 1 M CB 0.000 32.617 32.600 0.029 0.000 1.302 2 A N 0.870 123.730 122.820 0.067 0.000 2.520 2 A HA 0.327 4.647 4.320 -0.001 0.000 0.235 2 A C 0.393 178.056 177.584 0.132 0.000 1.065 2 A CA -0.054 52.042 52.037 0.099 0.000 0.764 2 A CB -0.223 18.825 19.000 0.079 0.000 1.002 2 A HN 0.909 nan 8.150 nan 0.000 0.502 3 F N 2.112 122.070 119.950 0.013 0.000 2.161 3 F HA -0.243 4.283 4.527 -0.001 0.000 0.300 3 F C 2.530 178.338 175.800 0.015 0.000 1.089 3 F CA 2.219 60.226 58.000 0.012 0.000 1.282 3 F CB 0.066 39.074 39.000 0.013 0.000 1.010 3 F HN 0.805 nan 8.300 nan 0.000 0.485 4 R N 0.400 120.900 120.500 0.000 0.000 2.193 4 R HA -0.140 4.200 4.340 -0.001 0.000 0.229 4 R C 1.614 177.852 176.300 -0.104 0.000 1.110 4 R CA 1.709 57.763 56.100 -0.078 0.000 0.988 4 R CB -0.512 29.797 30.300 0.015 0.000 0.871 4 R HN 0.277 nan 8.270 nan 0.000 0.458 5 K N 0.014 120.372 120.400 -0.070 0.000 2.276 5 K HA 0.113 4.433 4.320 -0.001 0.000 0.198 5 K C 2.067 178.611 176.600 -0.093 0.000 1.052 5 K CA 0.708 56.962 56.287 -0.055 0.000 0.984 5 K CB 0.281 32.776 32.500 -0.009 0.000 0.836 5 K HN 0.041 nan 8.250 nan 0.000 0.490 6 S N 1.165 116.794 115.700 -0.118 0.000 2.377 6 S HA -0.047 4.423 4.470 -0.001 0.000 0.223 6 S C 0.799 175.265 174.600 -0.224 0.000 1.030 6 S CA 0.359 58.489 58.200 -0.116 0.000 0.970 6 S CB -0.251 62.939 63.200 -0.017 0.000 0.830 6 S HN 0.274 nan 8.310 nan 0.000 0.473 7 N N 1.524 119.941 118.700 -0.472 0.000 2.454 7 N HA -0.044 4.696 4.740 -0.001 0.000 0.260 7 N C 1.186 176.479 175.510 -0.361 0.000 1.218 7 N CA 0.128 52.852 53.050 -0.544 0.000 0.904 7 N CB 1.223 39.082 38.487 -1.046 0.000 1.065 7 N HN 0.181 nan 8.380 nan 0.000 0.462 8 V N 5.463 125.147 119.914 -0.383 0.000 2.380 8 V HA -0.264 3.856 4.120 -0.001 0.000 0.251 8 V C 1.095 176.960 176.094 -0.381 0.000 1.063 8 V CA 1.795 63.840 62.300 -0.424 0.000 1.055 8 V CB -0.603 30.864 31.823 -0.593 0.000 0.657 8 V HN 0.727 nan 8.190 nan 0.000 0.455 9 Y N -1.753 118.487 120.300 -0.100 0.000 2.262 9 Y HA 0.036 4.586 4.550 -0.001 0.000 0.295 9 Y C 2.203 178.048 175.900 -0.091 0.000 1.121 9 Y CA 0.551 58.603 58.100 -0.079 0.000 1.144 9 Y CB -0.286 38.140 38.460 -0.057 0.000 1.043 9 Y HN 0.173 nan 8.280 nan 0.000 0.528 10 L N 0.483 121.702 121.223 -0.005 0.000 2.127 10 L HA -0.233 4.107 4.340 -0.001 0.000 0.211 10 L C 2.602 179.440 176.870 -0.054 0.000 1.089 10 L CA 1.962 56.767 54.840 -0.058 0.000 0.757 10 L CB -1.302 40.649 42.059 -0.181 0.000 0.899 10 L HN 0.310 nan 8.230 nan 0.000 0.434 11 S N -1.461 114.188 115.700 -0.085 0.000 2.383 11 S HA -0.186 4.284 4.470 -0.001 0.000 0.229 11 S C 1.983 176.598 174.600 0.025 0.000 1.030 11 S CA 0.919 59.093 58.200 -0.043 0.000 1.002 11 S CB -0.624 62.538 63.200 -0.063 0.000 0.829 11 S HN 0.267 nan 8.310 nan 0.000 0.467 12 L N 1.319 122.566 121.223 0.040 0.000 2.056 12 L HA 0.037 4.376 4.340 -0.001 0.000 0.207 12 L C 2.766 179.711 176.870 0.125 0.000 1.078 12 L CA 1.180 56.076 54.840 0.093 0.000 0.749 12 L CB -1.508 40.568 42.059 0.029 0.000 0.901 12 L HN 0.290 nan 8.230 nan 0.000 0.433 13 V N 0.284 120.235 119.914 0.060 0.000 2.295 13 V HA -0.302 3.817 4.120 -0.001 0.000 0.246 13 V C 2.445 178.590 176.094 0.086 0.000 1.049 13 V CA 1.934 64.268 62.300 0.057 0.000 1.024 13 V CB -0.703 31.133 31.823 0.022 0.000 0.648 13 V HN 0.575 nan 8.190 nan 0.000 0.447 14 N N -0.217 118.520 118.700 0.062 0.000 2.120 14 N HA -0.204 4.536 4.740 -0.001 0.000 0.188 14 N C 2.132 177.699 175.510 0.096 0.000 1.024 14 N CA 1.769 54.857 53.050 0.063 0.000 0.852 14 N CB -0.017 38.491 38.487 0.034 0.000 1.003 14 N HN 0.442 nan 8.380 nan 0.000 0.424 15 S N -0.915 114.851 115.700 0.110 0.000 2.382 15 S HA -0.101 4.368 4.470 -0.001 0.000 0.228 15 S C 1.526 176.179 174.600 0.088 0.000 1.027 15 S CA 0.955 59.221 58.200 0.110 0.000 0.991 15 S CB -0.235 63.016 63.200 0.086 0.000 0.823 15 S HN 0.464 nan 8.310 nan 0.000 0.469 16 Y N -0.194 120.112 120.300 0.011 0.000 2.503 16 Y HA 0.463 5.013 4.550 -0.001 0.000 0.277 16 Y C 1.795 177.732 175.900 0.061 0.000 1.102 16 Y CA 0.295 58.403 58.100 0.013 0.000 1.261 16 Y CB 0.263 38.666 38.460 -0.095 0.000 1.096 16 Y HN 0.228 nan 8.280 nan 0.000 0.546 17 I N -1.577 119.110 120.570 0.195 0.000 4.323 17 I HA 0.049 4.218 4.170 -0.001 0.000 0.328 17 I C 1.016 177.217 176.117 0.140 0.000 1.310 17 I CA 0.394 61.780 61.300 0.144 0.000 1.186 17 I CB 0.589 38.645 38.000 0.095 0.000 1.130 17 I HN 0.084 nan 8.210 nan 0.000 0.411 18 I N -0.044 120.605 120.570 0.132 0.000 3.345 18 I HA 0.047 4.217 4.170 -0.001 0.000 0.258 18 I C 1.043 177.267 176.117 0.179 0.000 1.134 18 I CA 0.487 61.879 61.300 0.153 0.000 1.457 18 I CB 0.136 38.180 38.000 0.073 0.000 1.425 18 I HN -0.063 nan 8.210 nan 0.000 0.461 19 D N 0.747 121.225 120.400 0.130 0.000 2.349 19 D HA 0.049 4.688 4.640 -0.001 0.000 0.214 19 D C 0.802 177.155 176.300 0.089 0.000 1.063 19 D CA 0.325 54.392 54.000 0.112 0.000 0.847 19 D CB 0.206 41.054 40.800 0.080 0.000 0.933 19 D HN -0.056 nan 8.370 nan 0.000 0.513 20 S N 2.155 117.910 115.700 0.093 0.000 2.737 20 S HA 0.014 4.484 4.470 -0.001 0.000 0.315 20 S C -2.482 172.136 174.600 0.029 0.000 1.236 20 S CA -0.966 57.261 58.200 0.045 0.000 1.093 20 S CB 0.355 63.594 63.200 0.065 0.000 0.832 20 S HN -0.110 nan 8.310 nan 0.000 0.507 21 P HA 0.233 nan 4.420 nan 0.000 0.269 21 P C -0.727 176.536 177.300 -0.062 0.000 1.252 21 P CA -0.233 62.852 63.100 -0.025 0.000 0.780 21 P CB 0.545 32.212 31.700 -0.054 0.000 0.829 22 Q N 5.356 125.133 119.800 -0.039 0.000 2.245 22 Q HA 0.459 4.799 4.340 -0.001 0.000 0.256 22 Q C -2.488 173.423 176.000 -0.148 0.000 0.942 22 Q CA -2.588 53.114 55.803 -0.167 0.000 0.896 22 Q CB 0.600 29.150 28.738 -0.315 0.000 1.272 22 Q HN 0.236 nan 8.270 nan 0.000 0.442 23 P HA -0.010 nan 4.420 nan 0.000 0.267 23 P C 0.006 177.217 177.300 -0.149 0.000 1.205 23 P CA 0.237 63.212 63.100 -0.210 0.000 0.765 23 P CB 0.821 32.335 31.700 -0.310 0.000 0.828 24 S N 1.347 116.996 115.700 -0.085 0.000 2.442 24 S HA -0.147 4.322 4.470 -0.001 0.000 0.236 24 S C 1.455 176.029 174.600 -0.044 0.000 1.007 24 S CA 1.434 59.611 58.200 -0.038 0.000 0.965 24 S CB -0.973 62.173 63.200 -0.090 0.000 0.773 24 S HN 0.491 nan 8.310 nan 0.000 0.504 25 S N 1.514 117.139 115.700 -0.126 0.000 2.540 25 S HA 0.321 4.791 4.470 -0.001 0.000 0.218 25 S C 0.675 175.113 174.600 -0.270 0.000 0.977 25 S CA -0.697 57.413 58.200 -0.150 0.000 0.918 25 S CB -1.001 62.119 63.200 -0.132 0.000 0.806 25 S HN 0.722 nan 8.310 nan 0.000 0.496 26 I N 2.062 122.379 120.570 -0.422 0.000 2.710 26 I HA 0.288 4.457 4.170 -0.001 0.000 0.286 26 I C 0.149 176.118 176.117 -0.247 0.000 1.181 26 I CA -0.614 60.236 61.300 -0.750 0.000 1.430 26 I CB 0.022 37.359 38.000 -1.105 0.000 1.367 26 I HN 0.193 nan 8.210 nan 0.000 0.577 27 N N 4.124 122.792 118.700 -0.054 0.000 2.538 27 N HA 0.178 4.918 4.740 -0.001 0.000 0.292 27 N C 0.333 175.992 175.510 0.249 0.000 1.262 27 N CA -0.401 52.740 53.050 0.151 0.000 0.976 27 N CB -0.028 38.633 38.487 0.291 0.000 1.161 27 N HN 0.594 nan 8.380 nan 0.000 0.598 28 Y N -1.514 118.898 120.300 0.186 0.000 2.384 28 Y HA -0.087 4.463 4.550 -0.001 0.000 0.289 28 Y C 1.384 177.337 175.900 0.088 0.000 1.152 28 Y CA 0.965 59.114 58.100 0.082 0.000 1.258 28 Y CB -0.424 37.985 38.460 -0.086 0.000 0.979 28 Y HN 0.539 nan 8.280 nan 0.000 0.549 29 W N -1.826 119.722 121.300 0.413 0.000 2.392 29 W HA -0.202 4.457 4.660 -0.001 0.000 0.279 29 W C 1.732 178.352 176.519 0.168 0.000 1.225 29 W CA 0.372 57.870 57.345 0.255 0.000 1.233 29 W CB -0.500 29.066 29.460 0.176 0.000 1.122 29 W HN 0.107 nan 8.180 nan 0.000 0.561 30 W N 0.381 121.850 121.300 0.281 0.000 3.077 30 W HA -0.051 4.608 4.660 -0.001 0.000 0.245 30 W C 0.704 177.315 176.519 0.153 0.000 1.316 30 W CA 0.419 57.867 57.345 0.172 0.000 1.537 30 W CB -0.495 28.977 29.460 0.020 0.000 1.131 30 W HN -0.026 nan 8.180 nan 0.000 0.695 31 N N -0.422 118.477 118.700 0.333 0.000 2.373 31 N HA -0.068 4.672 4.740 -0.001 0.000 0.181 31 N C 1.783 177.384 175.510 0.153 0.000 1.082 31 N CA 0.643 53.834 53.050 0.234 0.000 0.885 31 N CB -0.263 38.383 38.487 0.266 0.000 0.977 31 N HN -0.098 nan 8.380 nan 0.000 0.462 32 M N -0.365 119.346 119.600 0.186 0.000 2.213 32 M HA 0.076 4.555 4.480 -0.001 0.000 0.263 32 M C 2.116 178.347 176.300 -0.115 0.000 1.062 32 M CA 0.940 56.303 55.300 0.106 0.000 1.105 32 M CB -1.531 31.224 32.600 0.259 0.000 1.385 32 M HN 0.151 nan 8.290 nan 0.000 0.417 33 G N 0.534 109.244 108.800 -0.151 0.000 2.418 33 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.217 33 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.217 33 G C 1.725 176.541 174.900 -0.140 0.000 1.158 33 G CA 1.594 46.531 45.100 -0.272 0.000 0.771 33 G HN 0.591 nan 8.290 nan 0.000 0.545 34 S N 0.279 115.941 115.700 -0.063 0.000 2.399 34 S HA -0.015 4.455 4.470 -0.001 0.000 0.231 34 S C 2.253 176.745 174.600 -0.181 0.000 1.022 34 S CA 1.094 59.244 58.200 -0.083 0.000 0.983 34 S CB -0.298 62.882 63.200 -0.034 0.000 0.803 34 S HN 0.075 nan 8.310 nan 0.000 0.480 35 L N 1.374 122.472 121.223 -0.207 0.000 2.093 35 L HA 0.192 4.532 4.340 -0.001 0.000 0.208 35 L C 2.409 179.017 176.870 -0.437 0.000 1.085 35 L CA 1.263 55.876 54.840 -0.379 0.000 0.755 35 L CB -0.982 40.902 42.059 -0.291 0.000 0.904 35 L HN 0.359 nan 8.230 nan 0.000 0.435 36 L N -1.501 119.542 121.223 -0.300 0.000 2.093 36 L HA -0.116 4.224 4.340 -0.001 0.000 0.208 36 L C 2.445 179.106 176.870 -0.348 0.000 1.085 36 L CA 1.156 55.826 54.840 -0.283 0.000 0.755 36 L CB -1.086 40.890 42.059 -0.138 0.000 0.904 36 L HN 0.384 nan 8.230 nan 0.000 0.435 37 G N -0.175 108.472 108.800 -0.255 0.000 2.402 37 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.216 37 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.216 37 G C 1.619 176.350 174.900 -0.282 0.000 1.162 37 G CA 0.317 45.288 45.100 -0.214 0.000 0.777 37 G HN 0.222 nan 8.290 nan 0.000 0.539 38 L N 0.211 121.235 121.223 -0.333 0.000 2.046 38 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 38 L C 2.905 179.531 176.870 -0.406 0.000 1.077 38 L CA 1.432 56.066 54.840 -0.344 0.000 0.747 38 L CB -0.439 41.365 42.059 -0.426 0.000 0.896 38 L HN 0.286 nan 8.230 nan 0.000 0.432 39 C N -0.479 118.459 119.300 -0.604 0.000 2.413 39 C HA -0.206 4.253 4.460 -0.001 0.000 0.276 39 C C 2.662 177.178 174.990 -0.790 0.000 1.236 39 C CA 0.792 59.355 59.018 -0.757 0.000 1.735 39 C CB -0.919 26.044 27.740 -1.295 0.000 2.031 39 C HN 0.582 nan 8.230 nan 0.000 0.474 40 L N 0.791 121.544 121.223 -0.785 0.000 2.012 40 L HA -0.102 4.238 4.340 -0.001 0.000 0.210 40 L C 2.488 179.200 176.870 -0.263 0.000 1.073 40 L CA 1.885 56.475 54.840 -0.416 0.000 0.748 40 L CB -0.758 41.169 42.059 -0.219 0.000 0.891 40 L HN 0.207 nan 8.230 nan 0.000 0.431 41 V N -0.213 119.560 119.914 -0.234 0.000 2.295 41 V HA -0.331 3.789 4.120 -0.001 0.000 0.246 41 V C 2.510 178.539 176.094 -0.108 0.000 1.049 41 V CA 2.250 64.462 62.300 -0.147 0.000 1.024 41 V CB -0.482 31.267 31.823 -0.123 0.000 0.648 41 V HN 0.426 nan 8.190 nan 0.000 0.447 42 I N -0.381 120.113 120.570 -0.127 0.000 2.163 42 I HA -0.288 3.882 4.170 -0.001 0.000 0.243 42 I C 2.781 178.888 176.117 -0.016 0.000 1.085 42 I CA 1.431 62.696 61.300 -0.057 0.000 1.347 42 I CB -0.433 37.539 38.000 -0.048 0.000 1.044 42 I HN 0.343 nan 8.210 nan 0.000 0.408 43 Q N 0.448 120.197 119.800 -0.085 0.000 2.050 43 Q HA -0.165 4.174 4.340 -0.001 0.000 0.202 43 Q C 2.326 178.375 176.000 0.083 0.000 0.980 43 Q CA 1.774 57.555 55.803 -0.038 0.000 0.840 43 Q CB -0.480 28.175 28.738 -0.139 0.000 0.898 43 Q HN 0.569 nan 8.270 nan 0.000 0.424 44 I N 0.082 120.616 120.570 -0.059 0.000 2.179 44 I HA -0.243 3.926 4.170 -0.001 0.000 0.242 44 I C 2.325 178.428 176.117 -0.023 0.000 1.088 44 I CA 0.844 62.071 61.300 -0.122 0.000 1.357 44 I CB -0.321 37.535 38.000 -0.239 0.000 1.051 44 I HN -0.023 nan 8.210 nan 0.000 0.409 45 V N 0.845 120.785 119.914 0.043 0.000 2.307 45 V HA -0.263 3.857 4.120 -0.001 0.000 0.245 45 V C 2.719 178.961 176.094 0.246 0.000 1.045 45 V CA 2.490 64.884 62.300 0.157 0.000 1.024 45 V CB -1.243 30.672 31.823 0.154 0.000 0.651 45 V HN 0.626 nan 8.190 nan 0.000 0.449 46 T N -1.154 113.506 114.554 0.178 0.000 2.788 46 T HA -0.095 4.254 4.350 -0.001 0.000 0.268 46 T C 1.990 176.715 174.700 0.041 0.000 1.044 46 T CA 1.504 63.698 62.100 0.158 0.000 1.139 46 T CB -0.883 68.094 68.868 0.182 0.000 0.867 46 T HN 0.470 nan 8.240 nan 0.000 0.454 47 G N 1.610 110.396 108.800 -0.023 0.000 2.421 47 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.216 47 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.216 47 G C 1.558 176.354 174.900 -0.173 0.000 1.171 47 G CA 0.812 45.747 45.100 -0.276 0.000 0.775 47 G HN 0.558 nan 8.290 nan 0.000 0.543 48 I N -0.393 120.100 120.570 -0.128 0.000 2.226 48 I HA -0.128 4.042 4.170 -0.001 0.000 0.245 48 I C 2.478 178.534 176.117 -0.101 0.000 1.100 48 I CA 0.939 62.147 61.300 -0.152 0.000 1.374 48 I CB -0.235 37.681 38.000 -0.140 0.000 1.057 48 I HN 0.094 nan 8.210 nan 0.000 0.413 49 F N 0.061 120.010 119.950 -0.002 0.000 2.234 49 F HA -0.190 4.337 4.527 -0.001 0.000 0.299 49 F C 2.520 178.375 175.800 0.091 0.000 1.087 49 F CA 1.292 59.319 58.000 0.044 0.000 1.340 49 F CB -0.299 38.724 39.000 0.038 0.000 1.031 49 F HN -0.018 nan 8.300 nan 0.000 0.500 50 M N -0.904 118.804 119.600 0.181 0.000 2.288 50 M HA -0.084 4.395 4.480 -0.001 0.000 0.266 50 M C 2.494 178.884 176.300 0.149 0.000 1.072 50 M CA 1.194 56.577 55.300 0.138 0.000 1.132 50 M CB -0.493 32.077 32.600 -0.050 0.000 1.386 50 M HN 0.157 nan 8.290 nan 0.000 0.432 51 A N 0.488 123.368 122.820 0.100 0.000 1.978 51 A HA -0.183 4.137 4.320 -0.001 0.000 0.220 51 A C 2.041 179.729 177.584 0.173 0.000 1.170 51 A CA 1.522 53.687 52.037 0.213 0.000 0.636 51 A CB -0.699 18.470 19.000 0.282 0.000 0.810 51 A HN 0.493 nan 8.150 nan 0.000 0.448 52 M N -1.121 118.504 119.600 0.043 0.000 2.446 52 M HA -0.104 4.375 4.480 -0.001 0.000 0.263 52 M C 0.910 177.025 176.300 -0.307 0.000 1.066 52 M CA 1.045 56.253 55.300 -0.153 0.000 1.087 52 M CB -0.239 32.186 32.600 -0.291 0.000 1.406 52 M HN 0.477 nan 8.290 nan 0.000 0.459 53 H N -2.836 116.315 119.070 0.136 0.000 2.923 53 H HA 0.192 4.748 4.556 -0.001 0.000 0.268 53 H C -0.826 174.595 175.328 0.156 0.000 1.148 53 H CA -0.173 55.972 56.048 0.163 0.000 1.146 53 H CB 0.294 30.162 29.762 0.177 0.000 1.607 53 H HN 0.240 nan 8.280 nan 0.000 0.566 54 Y N 1.660 121.975 120.300 0.026 0.000 2.387 54 Y HA 0.427 4.976 4.550 -0.001 0.000 0.330 54 Y C -0.451 175.327 175.900 -0.204 0.000 1.133 54 Y CA -0.687 57.343 58.100 -0.117 0.000 1.152 54 Y CB 1.391 39.704 38.460 -0.245 0.000 1.215 54 Y HN -0.201 nan 8.280 nan 0.000 0.466 55 S N 2.600 117.683 115.700 -1.029 0.000 2.519 55 S HA 0.178 4.647 4.470 -0.001 0.000 0.309 55 S C 0.327 174.186 174.600 -1.235 0.000 1.100 55 S CA -0.356 57.360 58.200 -0.806 0.000 1.059 55 S CB 1.424 64.355 63.200 -0.449 0.000 1.008 55 S HN 0.769 nan 8.310 nan 0.000 0.478 56 S N 2.108 117.344 115.700 -0.774 0.000 2.528 56 S HA 0.033 4.503 4.470 -0.001 0.000 0.219 56 S C 0.290 174.733 174.600 -0.261 0.000 0.985 56 S CA -0.124 57.814 58.200 -0.437 0.000 0.914 56 S CB -0.499 62.690 63.200 -0.019 0.000 0.776 56 S HN 0.654 nan 8.310 nan 0.000 0.526 57 N N 1.889 120.431 118.700 -0.263 0.000 2.412 57 N HA 0.168 4.907 4.740 -0.001 0.000 0.258 57 N C 0.775 176.137 175.510 -0.246 0.000 1.236 57 N CA 0.144 53.069 53.050 -0.209 0.000 0.882 57 N CB 0.299 38.681 38.487 -0.176 0.000 1.066 57 N HN 0.247 nan 8.380 nan 0.000 0.465 58 I N 1.398 121.796 120.570 -0.285 0.000 2.399 58 I HA -0.327 3.842 4.170 -0.001 0.000 0.254 58 I C 0.993 176.925 176.117 -0.308 0.000 1.146 58 I CA 1.648 62.683 61.300 -0.441 0.000 1.412 58 I CB 0.153 37.837 38.000 -0.527 0.000 1.076 58 I HN 0.569 nan 8.210 nan 0.000 0.432 59 E N -0.373 119.714 120.200 -0.188 0.000 2.442 59 E HA -0.052 4.298 4.350 -0.001 0.000 0.195 59 E C 1.352 177.909 176.600 -0.072 0.000 1.030 59 E CA 0.487 56.824 56.400 -0.104 0.000 0.869 59 E CB 0.173 29.819 29.700 -0.090 0.000 0.857 59 E HN 0.308 nan 8.360 nan 0.000 0.505 60 L N -0.603 120.550 121.223 -0.116 0.000 2.642 60 L HA 0.359 4.699 4.340 -0.001 0.000 0.233 60 L C 1.852 178.642 176.870 -0.135 0.000 1.077 60 L CA 0.484 55.251 54.840 -0.122 0.000 0.879 60 L CB -0.740 41.210 42.059 -0.182 0.000 1.151 60 L HN 0.070 nan 8.230 nan 0.000 0.495 61 A N 0.029 122.759 122.820 -0.150 0.000 1.849 61 A HA -0.318 4.001 4.320 -0.001 0.000 0.217 61 A C 2.266 179.899 177.584 0.082 0.000 1.202 61 A CA 2.251 54.215 52.037 -0.121 0.000 0.629 61 A CB -1.194 17.809 19.000 0.005 0.000 0.834 61 A HN 0.337 nan 8.150 nan 0.000 0.447 62 F N 1.141 121.133 119.950 0.069 0.000 2.091 62 F HA -0.216 4.310 4.527 -0.001 0.000 0.299 62 F C 2.687 178.518 175.800 0.051 0.000 1.103 62 F CA 2.189 60.234 58.000 0.076 0.000 1.228 62 F CB -0.267 38.784 39.000 0.085 0.000 0.984 62 F HN 0.208 nan 8.300 nan 0.000 0.477 63 S N -0.399 115.451 115.700 0.249 0.000 2.399 63 S HA -0.205 4.265 4.470 -0.001 0.000 0.231 63 S C 2.220 176.845 174.600 0.041 0.000 1.022 63 S CA 1.316 59.600 58.200 0.140 0.000 0.983 63 S CB -0.630 62.636 63.200 0.110 0.000 0.803 63 S HN 0.639 nan 8.310 nan 0.000 0.480 64 S N 1.222 116.915 115.700 -0.011 0.000 2.402 64 S HA -0.033 4.437 4.470 -0.001 0.000 0.229 64 S C 1.834 176.490 174.600 0.093 0.000 1.021 64 S CA 0.986 59.191 58.200 0.009 0.000 0.974 64 S CB -0.635 62.475 63.200 -0.150 0.000 0.800 64 S HN 0.292 nan 8.310 nan 0.000 0.484 65 V N 2.135 122.062 119.914 0.023 0.000 2.427 65 V HA -0.077 4.043 4.120 -0.001 0.000 0.248 65 V C 2.962 178.996 176.094 -0.100 0.000 1.051 65 V CA 1.794 64.069 62.300 -0.042 0.000 1.048 65 V CB -0.698 31.032 31.823 -0.154 0.000 0.666 65 V HN 0.437 nan 8.190 nan 0.000 0.456 66 E N -0.146 119.981 120.200 -0.123 0.000 2.106 66 E HA -0.232 4.118 4.350 -0.001 0.000 0.192 66 E C 2.126 178.726 176.600 -0.000 0.000 0.984 66 E CA 1.552 57.912 56.400 -0.067 0.000 0.806 66 E CB -0.332 29.357 29.700 -0.017 0.000 0.750 66 E HN 0.843 nan 8.360 nan 0.000 0.458 67 H N 0.565 119.601 119.070 -0.057 0.000 2.387 67 H HA -0.010 4.546 4.556 -0.001 0.000 0.299 67 H C 2.056 177.334 175.328 -0.085 0.000 1.090 67 H CA 1.586 57.602 56.048 -0.053 0.000 1.332 67 H CB -0.225 29.518 29.762 -0.032 0.000 1.386 67 H HN 0.065 nan 8.280 nan 0.000 0.516 68 I N -0.244 120.228 120.570 -0.162 0.000 2.252 68 I HA -0.243 3.926 4.170 -0.001 0.000 0.245 68 I C 1.955 177.939 176.117 -0.223 0.000 1.102 68 I CA 0.883 62.035 61.300 -0.247 0.000 1.385 68 I CB -0.172 37.766 38.000 -0.104 0.000 1.064 68 I HN 0.347 nan 8.210 nan 0.000 0.414 69 M N 0.088 119.596 119.600 -0.152 0.000 2.175 69 M HA -0.136 4.344 4.480 -0.001 0.000 0.264 69 M C 2.312 178.564 176.300 -0.080 0.000 1.063 69 M CA 1.838 57.069 55.300 -0.114 0.000 1.119 69 M CB -1.052 31.491 32.600 -0.096 0.000 1.377 69 M HN 0.221 nan 8.290 nan 0.000 0.415 70 R N -0.497 119.939 120.500 -0.107 0.000 2.103 70 R HA 0.012 4.351 4.340 -0.001 0.000 0.212 70 R C 1.578 177.787 176.300 -0.152 0.000 1.107 70 R CA 0.831 56.875 56.100 -0.094 0.000 1.025 70 R CB 0.056 30.326 30.300 -0.050 0.000 0.929 70 R HN 0.308 nan 8.270 nan 0.000 0.456 71 D N 0.389 120.635 120.400 -0.257 0.000 2.277 71 D HA 0.025 4.664 4.640 -0.001 0.000 0.209 71 D C 0.400 176.407 176.300 -0.488 0.000 0.970 71 D CA 0.454 54.257 54.000 -0.328 0.000 0.874 71 D CB 0.215 40.855 40.800 -0.266 0.000 0.982 71 D HN -0.103 nan 8.370 nan 0.000 0.504 72 V N 3.339 122.910 119.914 -0.570 0.000 2.521 72 V HA -0.039 4.080 4.120 -0.001 0.000 0.286 72 V C 0.516 176.371 176.094 -0.397 0.000 1.034 72 V CA -0.248 61.716 62.300 -0.559 0.000 1.045 72 V CB 0.411 31.815 31.823 -0.698 0.000 0.974 72 V HN 0.220 nan 8.190 nan 0.000 0.480 73 H N 7.087 126.065 119.070 -0.153 0.000 3.091 73 H HA 0.055 4.610 4.556 -0.001 0.000 0.289 73 H C 1.044 176.294 175.328 -0.130 0.000 0.995 73 H CA 0.491 56.487 56.048 -0.087 0.000 1.461 73 H CB 0.061 29.794 29.762 -0.049 0.000 1.510 73 H HN 0.778 nan 8.280 nan 0.000 0.546 74 N N 1.913 120.577 118.700 -0.059 0.000 2.828 74 N HA -0.161 4.578 4.740 -0.001 0.000 0.248 74 N C 1.574 176.863 175.510 -0.369 0.000 1.044 74 N CA 0.859 53.746 53.050 -0.272 0.000 0.851 74 N CB -1.359 37.016 38.487 -0.186 0.000 1.136 74 N HN 0.821 nan 8.380 nan 0.000 0.572 75 G N 0.492 109.135 108.800 -0.262 0.000 2.442 75 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.219 75 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.219 75 G C 1.228 175.974 174.900 -0.256 0.000 1.141 75 G CA 1.355 46.305 45.100 -0.250 0.000 0.763 75 G HN 0.669 nan 8.290 nan 0.000 0.554 76 Y N 0.227 120.399 120.300 -0.214 0.000 2.293 76 Y HA 0.126 4.675 4.550 -0.001 0.000 0.291 76 Y C 2.346 178.088 175.900 -0.263 0.000 1.137 76 Y CA 0.637 58.545 58.100 -0.319 0.000 1.202 76 Y CB -0.460 37.863 38.460 -0.229 0.000 0.990 76 Y HN 0.197 nan 8.280 nan 0.000 0.537 77 I N 0.420 120.509 120.570 -0.801 0.000 2.252 77 I HA -0.239 3.930 4.170 -0.001 0.000 0.245 77 I C 2.405 178.360 176.117 -0.269 0.000 1.102 77 I CA 1.153 62.138 61.300 -0.526 0.000 1.385 77 I CB -0.398 37.279 38.000 -0.538 0.000 1.064 77 I HN 0.272 nan 8.210 nan 0.000 0.414 78 L N 0.137 121.213 121.223 -0.245 0.000 2.017 78 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 78 L C 2.846 179.675 176.870 -0.067 0.000 1.073 78 L CA 1.239 56.003 54.840 -0.127 0.000 0.745 78 L CB -0.656 41.340 42.059 -0.106 0.000 0.894 78 L HN 0.247 nan 8.230 nan 0.000 0.432 79 R N -0.348 120.075 120.500 -0.129 0.000 2.066 79 R HA -0.181 4.159 4.340 -0.001 0.000 0.232 79 R C 2.350 178.665 176.300 0.026 0.000 1.131 79 R CA 1.714 57.756 56.100 -0.097 0.000 0.955 79 R CB -0.454 29.711 30.300 -0.224 0.000 0.851 79 R HN 0.263 nan 8.270 nan 0.000 0.432 80 Y N 0.727 121.034 120.300 0.012 0.000 2.293 80 Y HA -0.098 4.451 4.550 -0.001 0.000 0.291 80 Y C 2.310 178.194 175.900 -0.026 0.000 1.137 80 Y CA 0.472 58.578 58.100 0.009 0.000 1.202 80 Y CB -0.588 37.852 38.460 -0.033 0.000 0.990 80 Y HN 0.028 nan 8.280 nan 0.000 0.537 81 L N -1.262 120.010 121.223 0.082 0.000 2.056 81 L HA -0.259 4.080 4.340 -0.001 0.000 0.207 81 L C 2.388 179.305 176.870 0.079 0.000 1.078 81 L CA 1.603 56.451 54.840 0.013 0.000 0.749 81 L CB -0.323 41.723 42.059 -0.022 0.000 0.901 81 L HN 0.247 nan 8.230 nan 0.000 0.433 82 H N -0.753 118.336 119.070 0.031 0.000 2.326 82 H HA -0.102 4.454 4.556 -0.001 0.000 0.301 82 H C 2.086 177.486 175.328 0.120 0.000 1.081 82 H CA 1.655 57.740 56.048 0.061 0.000 1.334 82 H CB 0.131 29.921 29.762 0.047 0.000 1.385 82 H HN 0.365 nan 8.280 nan 0.000 0.504 83 A N 0.447 123.417 122.820 0.249 0.000 1.855 83 A HA -0.172 4.147 4.320 -0.001 0.000 0.215 83 A C 2.250 179.981 177.584 0.244 0.000 1.191 83 A CA 1.633 53.824 52.037 0.257 0.000 0.613 83 A CB -0.458 18.725 19.000 0.305 0.000 0.829 83 A HN 0.532 nan 8.150 nan 0.000 0.442 84 N N -0.086 118.734 118.700 0.201 0.000 2.188 84 N HA -0.110 4.629 4.740 -0.001 0.000 0.184 84 N C 1.876 177.459 175.510 0.121 0.000 1.018 84 N CA 1.220 54.366 53.050 0.161 0.000 0.858 84 N CB -0.433 38.072 38.487 0.031 0.000 0.989 84 N HN 0.495 nan 8.380 nan 0.000 0.426 85 G N 1.080 109.895 108.800 0.025 0.000 2.442 85 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.219 85 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.219 85 G C 1.681 176.681 174.900 0.168 0.000 1.141 85 G CA 1.091 46.209 45.100 0.030 0.000 0.763 85 G HN 0.404 nan 8.290 nan 0.000 0.554 86 A N 0.612 123.518 122.820 0.143 0.000 1.902 86 A HA 0.020 4.340 4.320 -0.001 0.000 0.217 86 A C 2.707 180.468 177.584 0.295 0.000 1.181 86 A CA 2.234 54.372 52.037 0.168 0.000 0.623 86 A CB -0.639 18.449 19.000 0.146 0.000 0.818 86 A HN 0.309 nan 8.150 nan 0.000 0.443 87 S N -1.073 114.913 115.700 0.478 0.000 2.368 87 S HA -0.093 4.376 4.470 -0.001 0.000 0.225 87 S C 1.618 176.638 174.600 0.701 0.000 1.030 87 S CA 1.374 60.012 58.200 0.731 0.000 0.999 87 S CB -0.526 63.211 63.200 0.896 0.000 0.844 87 S HN 0.586 nan 8.310 nan 0.000 0.459 88 F N 0.250 120.378 119.950 0.297 0.000 2.186 88 F HA -0.080 4.447 4.527 -0.001 0.000 0.299 88 F C 2.117 178.125 175.800 0.347 0.000 1.090 88 F CA 0.665 58.827 58.000 0.269 0.000 1.307 88 F CB -0.249 38.820 39.000 0.116 0.000 1.019 88 F HN 0.180 nan 8.300 nan 0.000 0.489 89 F N 0.266 120.340 119.950 0.205 0.000 2.095 89 F HA -0.244 4.283 4.527 -0.001 0.000 0.298 89 F C 1.940 177.572 175.800 -0.279 0.000 1.104 89 F CA 1.393 59.322 58.000 -0.118 0.000 1.232 89 F CB -1.138 37.630 39.000 -0.388 0.000 0.987 89 F HN -0.103 nan 8.300 nan 0.000 0.475 90 F N -0.969 118.987 119.950 0.010 0.000 2.206 90 F HA -0.186 4.341 4.527 -0.001 0.000 0.298 90 F C 2.433 178.166 175.800 -0.111 0.000 1.090 90 F CA 1.323 59.120 58.000 -0.339 0.000 1.323 90 F CB -0.872 37.691 39.000 -0.727 0.000 1.028 90 F HN 0.000 nan 8.300 nan 0.000 0.492 91 M N 0.030 119.913 119.600 0.473 0.000 2.099 91 M HA -0.127 4.352 4.480 -0.001 0.000 0.262 91 M C 2.097 178.635 176.300 0.398 0.000 1.067 91 M CA 1.623 57.255 55.300 0.554 0.000 1.124 91 M CB -0.714 32.085 32.600 0.332 0.000 1.353 91 M HN -0.050 nan 8.290 nan 0.000 0.410 92 V N 0.039 120.145 119.914 0.320 0.000 2.407 92 V HA -0.307 3.812 4.120 -0.001 0.000 0.248 92 V C 2.529 178.785 176.094 0.270 0.000 1.055 92 V CA 2.148 64.624 62.300 0.293 0.000 1.049 92 V CB -0.786 31.189 31.823 0.254 0.000 0.662 92 V HN 0.636 nan 8.190 nan 0.000 0.455 93 M N -0.960 118.753 119.600 0.189 0.000 2.117 93 M HA -0.174 4.306 4.480 -0.001 0.000 0.262 93 M C 2.052 178.476 176.300 0.207 0.000 1.065 93 M CA 2.085 57.466 55.300 0.135 0.000 1.114 93 M CB -0.195 32.371 32.600 -0.056 0.000 1.361 93 M HN 0.296 nan 8.290 nan 0.000 0.408 94 F N 0.355 120.467 119.950 0.269 0.000 2.126 94 F HA -0.217 4.310 4.527 -0.001 0.000 0.299 94 F C 2.220 178.119 175.800 0.165 0.000 1.096 94 F CA 1.509 59.627 58.000 0.197 0.000 1.255 94 F CB -0.933 38.247 39.000 0.300 0.000 0.997 94 F HN 0.179 nan 8.300 nan 0.000 0.479 95 M N -1.455 118.407 119.600 0.438 0.000 2.132 95 M HA -0.214 4.265 4.480 -0.001 0.000 0.263 95 M C 2.267 178.769 176.300 0.336 0.000 1.065 95 M CA 1.690 57.218 55.300 0.381 0.000 1.122 95 M CB -0.692 32.200 32.600 0.487 0.000 1.365 95 M HN 0.100 nan 8.290 nan 0.000 0.411 96 H N 0.423 119.627 119.070 0.223 0.000 2.353 96 H HA -0.076 4.480 4.556 -0.001 0.000 0.300 96 H C 1.809 177.222 175.328 0.142 0.000 1.090 96 H CA 2.061 58.206 56.048 0.162 0.000 1.327 96 H CB -0.036 29.808 29.762 0.137 0.000 1.383 96 H HN 0.255 nan 8.280 nan 0.000 0.508 97 M N -0.727 118.951 119.600 0.130 0.000 2.132 97 M HA -0.061 4.418 4.480 -0.001 0.000 0.263 97 M C 2.629 179.022 176.300 0.156 0.000 1.065 97 M CA 1.443 56.795 55.300 0.086 0.000 1.122 97 M CB -0.084 32.517 32.600 0.001 0.000 1.365 97 M HN 0.407 nan 8.290 nan 0.000 0.411 98 A N 0.322 123.216 122.820 0.123 0.000 1.930 98 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 98 A C 2.236 179.859 177.584 0.065 0.000 1.175 98 A CA 1.514 53.624 52.037 0.122 0.000 0.627 98 A CB -0.567 18.472 19.000 0.065 0.000 0.815 98 A HN 0.298 nan 8.150 nan 0.000 0.443 99 K N 0.134 120.502 120.400 -0.053 0.000 2.026 99 K HA -0.136 4.184 4.320 -0.001 0.000 0.208 99 K C 2.054 178.616 176.600 -0.063 0.000 1.048 99 K CA 1.890 58.079 56.287 -0.163 0.000 0.929 99 K CB -1.012 31.419 32.500 -0.114 0.000 0.713 99 K HN 0.358 nan 8.250 nan 0.000 0.439 100 G N 1.399 110.190 108.800 -0.014 0.000 2.418 100 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.217 100 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.217 100 G C 1.609 176.548 174.900 0.065 0.000 1.158 100 G CA 0.696 45.826 45.100 0.050 0.000 0.771 100 G HN 0.244 nan 8.290 nan 0.000 0.545 101 L N -0.851 120.452 121.223 0.133 0.000 2.017 101 L HA 0.015 4.354 4.340 -0.001 0.000 0.208 101 L C 2.471 179.353 176.870 0.020 0.000 1.073 101 L CA 1.414 56.344 54.840 0.151 0.000 0.745 101 L CB -0.975 41.208 42.059 0.206 0.000 0.894 101 L HN 0.358 nan 8.230 nan 0.000 0.432 102 Y N -1.228 118.837 120.300 -0.392 0.000 2.181 102 Y HA -0.296 4.254 4.550 -0.001 0.000 0.288 102 Y C 1.836 177.307 175.900 -0.715 0.000 1.146 102 Y CA 1.686 59.198 58.100 -0.979 0.000 1.164 102 Y CB -0.192 37.302 38.460 -1.610 0.000 0.982 102 Y HN 0.184 nan 8.280 nan 0.000 0.515 103 Y N -0.100 120.115 120.300 -0.142 0.000 2.461 103 Y HA 0.246 4.796 4.550 -0.001 0.000 0.277 103 Y C 1.597 177.356 175.900 -0.235 0.000 1.182 103 Y CA 0.079 58.108 58.100 -0.119 0.000 1.276 103 Y CB 0.055 38.527 38.460 0.019 0.000 1.087 103 Y HN 0.219 nan 8.280 nan 0.000 0.519 104 G N 0.103 108.740 108.800 -0.271 0.000 2.305 104 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.287 104 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.287 104 G C 0.965 175.401 174.900 -0.775 0.000 1.036 104 G CA 0.660 45.309 45.100 -0.750 0.000 0.887 104 G HN 0.415 nan 8.290 nan 0.000 0.505 105 S N -0.879 114.537 115.700 -0.473 0.000 2.447 105 S HA -0.056 4.414 4.470 -0.001 0.000 0.233 105 S C 1.893 176.295 174.600 -0.329 0.000 1.006 105 S CA 1.644 59.688 58.200 -0.259 0.000 0.957 105 S CB -0.303 62.855 63.200 -0.070 0.000 0.773 105 S HN 0.966 nan 8.310 nan 0.000 0.507 106 Y N 1.347 121.393 120.300 -0.423 0.000 2.516 106 Y HA 0.300 4.850 4.550 -0.001 0.000 0.291 106 Y C 0.777 176.433 175.900 -0.406 0.000 1.131 106 Y CA -0.649 57.073 58.100 -0.630 0.000 1.281 106 Y CB -0.669 36.835 38.460 -1.592 0.000 1.013 106 Y HN -0.042 nan 8.280 nan 0.000 0.554 107 R N 1.110 121.162 120.500 -0.747 0.000 2.738 107 R HA 0.152 4.491 4.340 -0.001 0.000 0.268 107 R C 0.609 176.740 176.300 -0.283 0.000 1.062 107 R CA 0.043 55.877 56.100 -0.444 0.000 1.158 107 R CB 0.395 30.404 30.300 -0.485 0.000 1.046 107 R HN 0.212 nan 8.270 nan 0.000 0.493 108 S N 1.774 117.332 115.700 -0.236 0.000 2.558 108 S HA 0.024 4.494 4.470 -0.001 0.000 0.291 108 S C -1.405 173.056 174.600 -0.233 0.000 1.306 108 S CA -1.087 56.987 58.200 -0.209 0.000 1.056 108 S CB 0.425 63.520 63.200 -0.175 0.000 0.836 108 S HN 0.499 nan 8.310 nan 0.000 0.504 109 P HA 0.247 nan 4.420 nan 0.000 0.249 109 P C -0.156 176.908 177.300 -0.393 0.000 1.583 109 P CA -0.068 62.773 63.100 -0.432 0.000 0.988 109 P CB -0.036 31.191 31.700 -0.789 0.000 1.530 110 R N -0.378 120.000 120.500 -0.203 0.000 2.609 110 R HA 0.196 4.536 4.340 -0.001 0.000 0.326 110 R C 1.410 177.743 176.300 0.055 0.000 1.090 110 R CA -0.168 55.904 56.100 -0.046 0.000 1.072 110 R CB 0.205 30.490 30.300 -0.024 0.000 1.330 110 R HN -0.020 nan 8.270 nan 0.000 0.572 111 V N -0.080 119.851 119.914 0.027 0.000 2.343 111 V HA -0.248 3.871 4.120 -0.001 0.000 0.247 111 V C 1.979 178.201 176.094 0.213 0.000 1.051 111 V CA 2.169 64.535 62.300 0.109 0.000 1.036 111 V CB -0.281 31.556 31.823 0.024 0.000 0.654 111 V HN 0.377 nan 8.190 nan 0.000 0.451 112 T N 0.580 115.234 114.554 0.166 0.000 2.720 112 T HA -0.201 4.149 4.350 -0.001 0.000 0.268 112 T C 1.903 176.729 174.700 0.209 0.000 1.037 112 T CA 1.874 64.080 62.100 0.177 0.000 1.144 112 T CB -0.363 68.595 68.868 0.151 0.000 0.864 112 T HN 0.316 nan 8.240 nan 0.000 0.444 113 L N 0.662 122.011 121.223 0.209 0.000 2.012 113 L HA -0.028 4.311 4.340 -0.001 0.000 0.210 113 L C 2.177 179.252 176.870 0.341 0.000 1.073 113 L CA 1.726 56.691 54.840 0.210 0.000 0.748 113 L CB -0.764 41.368 42.059 0.122 0.000 0.891 113 L HN 0.490 nan 8.230 nan 0.000 0.431 114 W N 0.337 121.721 121.300 0.140 0.000 2.355 114 W HA -0.247 4.412 4.660 -0.001 0.000 0.309 114 W C 2.109 178.714 176.519 0.143 0.000 1.206 114 W CA 1.624 59.058 57.345 0.148 0.000 1.284 114 W CB -0.274 29.264 29.460 0.131 0.000 1.145 114 W HN 0.325 nan 8.180 nan 0.000 0.502 115 N N 0.715 119.557 118.700 0.236 0.000 2.166 115 N HA -0.171 4.568 4.740 -0.001 0.000 0.186 115 N C 1.706 177.238 175.510 0.037 0.000 1.019 115 N CA 1.934 55.043 53.050 0.098 0.000 0.856 115 N CB -0.999 37.593 38.487 0.176 0.000 0.993 115 N HN 0.045 nan 8.380 nan 0.000 0.426 116 V N 0.698 120.679 119.914 0.113 0.000 2.407 116 V HA -0.128 3.992 4.120 -0.001 0.000 0.248 116 V C 2.360 178.458 176.094 0.007 0.000 1.055 116 V CA 1.921 64.284 62.300 0.104 0.000 1.049 116 V CB -1.178 30.771 31.823 0.209 0.000 0.662 116 V HN 0.359 nan 8.190 nan 0.000 0.455 117 G N -0.138 108.657 108.800 -0.009 0.000 2.440 117 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.218 117 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.218 117 G C 1.664 176.420 174.900 -0.241 0.000 1.154 117 G CA 1.243 46.218 45.100 -0.209 0.000 0.767 117 G HN 0.393 nan 8.290 nan 0.000 0.552 118 V N 1.176 120.908 119.914 -0.303 0.000 2.343 118 V HA -0.169 3.951 4.120 -0.001 0.000 0.247 118 V C 2.781 178.858 176.094 -0.028 0.000 1.051 118 V CA 1.543 63.724 62.300 -0.198 0.000 1.036 118 V CB -0.386 31.305 31.823 -0.220 0.000 0.654 118 V HN 0.404 nan 8.190 nan 0.000 0.451 119 I N -0.426 120.121 120.570 -0.039 0.000 2.226 119 I HA -0.254 3.916 4.170 -0.001 0.000 0.245 119 I C 2.289 178.385 176.117 -0.035 0.000 1.100 119 I CA 1.775 63.066 61.300 -0.016 0.000 1.374 119 I CB -0.310 37.687 38.000 -0.004 0.000 1.057 119 I HN 0.237 nan 8.210 nan 0.000 0.413 120 I N -0.020 120.511 120.570 -0.065 0.000 2.226 120 I HA -0.325 3.844 4.170 -0.001 0.000 0.245 120 I C 2.499 178.567 176.117 -0.082 0.000 1.100 120 I CA 1.389 62.630 61.300 -0.098 0.000 1.374 120 I CB -0.373 37.528 38.000 -0.167 0.000 1.057 120 I HN 0.164 nan 8.210 nan 0.000 0.413 121 F N 1.801 121.632 119.950 -0.198 0.000 2.095 121 F HA -0.229 4.297 4.527 -0.001 0.000 0.298 121 F C 2.263 177.982 175.800 -0.136 0.000 1.104 121 F CA 1.619 59.511 58.000 -0.180 0.000 1.232 121 F CB -0.392 38.518 39.000 -0.150 0.000 0.987 121 F HN -0.088 nan 8.300 nan 0.000 0.475 122 I N -0.197 120.267 120.570 -0.177 0.000 2.226 122 I HA -0.331 3.839 4.170 -0.001 0.000 0.245 122 I C 2.397 178.400 176.117 -0.189 0.000 1.100 122 I CA 1.260 62.422 61.300 -0.229 0.000 1.374 122 I CB -0.550 37.414 38.000 -0.060 0.000 1.057 122 I HN 0.167 nan 8.210 nan 0.000 0.413 123 L N -0.149 120.993 121.223 -0.135 0.000 2.093 123 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 123 L C 2.572 179.349 176.870 -0.155 0.000 1.085 123 L CA 1.376 56.150 54.840 -0.109 0.000 0.755 123 L CB -0.833 41.176 42.059 -0.084 0.000 0.904 123 L HN 0.254 nan 8.230 nan 0.000 0.435 124 T N 0.047 114.449 114.554 -0.253 0.000 2.777 124 T HA -0.091 4.258 4.350 -0.001 0.000 0.266 124 T C 1.928 176.516 174.700 -0.188 0.000 1.040 124 T CA 1.128 63.006 62.100 -0.371 0.000 1.141 124 T CB -0.113 68.341 68.868 -0.690 0.000 0.868 124 T HN 0.175 nan 8.240 nan 0.000 0.444 125 I N 1.390 121.840 120.570 -0.200 0.000 2.179 125 I HA -0.179 3.990 4.170 -0.001 0.000 0.242 125 I C 2.939 179.036 176.117 -0.033 0.000 1.088 125 I CA 1.148 62.361 61.300 -0.145 0.000 1.357 125 I CB -0.475 37.252 38.000 -0.455 0.000 1.051 125 I HN 0.190 nan 8.210 nan 0.000 0.409 126 A N 0.275 123.070 122.820 -0.043 0.000 1.902 126 A HA -0.214 4.106 4.320 -0.001 0.000 0.217 126 A C 2.381 180.049 177.584 0.141 0.000 1.181 126 A CA 2.493 54.576 52.037 0.076 0.000 0.623 126 A CB -1.122 17.904 19.000 0.043 0.000 0.818 126 A HN 0.386 nan 8.150 nan 0.000 0.443 127 T N 0.289 114.883 114.554 0.067 0.000 2.708 127 T HA -0.055 4.295 4.350 -0.001 0.000 0.266 127 T C 2.221 177.056 174.700 0.224 0.000 1.037 127 T CA 1.728 63.897 62.100 0.116 0.000 1.146 127 T CB -0.475 68.389 68.868 -0.008 0.000 0.865 127 T HN 0.610 nan 8.240 nan 0.000 0.435 128 A N 1.110 124.035 122.820 0.175 0.000 1.933 128 A HA -0.024 4.296 4.320 -0.001 0.000 0.218 128 A C 2.006 179.704 177.584 0.190 0.000 1.175 128 A CA 1.430 53.596 52.037 0.215 0.000 0.628 128 A CB -0.910 18.262 19.000 0.286 0.000 0.814 128 A HN 0.524 nan 8.150 nan 0.000 0.444 129 F N 0.841 120.816 119.950 0.042 0.000 2.075 129 F HA -0.154 4.372 4.527 -0.001 0.000 0.297 129 F C 1.807 177.614 175.800 0.012 0.000 1.113 129 F CA 1.784 59.795 58.000 0.018 0.000 1.218 129 F CB -0.574 38.401 39.000 -0.040 0.000 0.984 129 F HN 0.139 nan 8.300 nan 0.000 0.472 130 L N 0.392 121.350 121.223 -0.441 0.000 2.042 130 L HA -0.154 4.186 4.340 -0.001 0.000 0.210 130 L C 2.865 179.465 176.870 -0.450 0.000 1.076 130 L CA 1.472 55.971 54.840 -0.568 0.000 0.749 130 L CB -1.684 40.264 42.059 -0.185 0.000 0.893 130 L HN 0.403 nan 8.230 nan 0.000 0.432 131 G N -1.300 107.142 108.800 -0.597 0.000 2.418 131 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.217 131 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.217 131 G C 1.486 176.216 174.900 -0.283 0.000 1.158 131 G CA 0.576 45.093 45.100 -0.973 0.000 0.771 131 G HN 0.287 nan 8.290 nan 0.000 0.545 132 Y N 0.927 121.091 120.300 -0.227 0.000 2.224 132 Y HA -0.156 4.393 4.550 -0.001 0.000 0.289 132 Y C 2.874 178.713 175.900 -0.102 0.000 1.146 132 Y CA 0.827 58.865 58.100 -0.104 0.000 1.182 132 Y CB -0.448 37.996 38.460 -0.027 0.000 0.983 132 Y HN 0.262 nan 8.280 nan 0.000 0.524 133 C N -1.336 117.897 119.300 -0.112 0.000 2.422 133 C HA -0.211 4.249 4.460 -0.001 0.000 0.279 133 C C 2.932 177.944 174.990 0.037 0.000 1.305 133 C CA 1.033 60.021 59.018 -0.050 0.000 1.757 133 C CB -1.760 25.976 27.740 -0.008 0.000 1.962 133 C HN 0.719 nan 8.230 nan 0.000 0.499 134 C N 0.361 119.655 119.300 -0.010 0.000 2.410 134 C HA -0.078 4.382 4.460 -0.001 0.000 0.281 134 C C 2.660 177.720 174.990 0.115 0.000 1.318 134 C CA 0.965 60.023 59.018 0.067 0.000 1.776 134 C CB -1.371 26.303 27.740 -0.111 0.000 1.942 134 C HN 0.565 nan 8.230 nan 0.000 0.508 135 V N -1.658 118.241 119.914 -0.024 0.000 2.515 135 V HA -0.172 3.948 4.120 -0.001 0.000 0.250 135 V C 1.340 177.524 176.094 0.150 0.000 1.058 135 V CA 1.595 63.875 62.300 -0.034 0.000 1.064 135 V CB -0.959 30.727 31.823 -0.229 0.000 0.675 135 V HN 0.596 nan 8.190 nan 0.000 0.461 136 Y N 0.589 120.888 120.300 -0.001 0.000 3.389 136 Y HA -0.175 4.374 4.550 -0.001 0.000 0.213 136 Y C 0.880 176.865 175.900 0.143 0.000 1.272 136 Y CA 0.219 58.352 58.100 0.055 0.000 1.444 136 Y CB -1.232 37.271 38.460 0.071 0.000 1.445 136 Y HN 0.286 nan 8.280 nan 0.000 0.583 137 G N 0.079 108.803 108.800 -0.127 0.000 2.532 137 G HA2 0.285 4.245 3.960 -0.001 0.000 0.291 137 G HA3 0.285 4.245 3.960 -0.001 0.000 0.291 137 G C 0.546 175.265 174.900 -0.303 0.000 1.349 137 G CA 0.015 45.062 45.100 -0.088 0.000 1.038 137 G HN 0.267 nan 8.290 nan 0.000 0.518 138 Q N -0.930 118.763 119.800 -0.179 0.000 2.084 138 Q HA -0.089 4.250 4.340 -0.001 0.000 0.202 138 Q C 2.722 178.742 176.000 0.032 0.000 0.978 138 Q CA 1.131 56.895 55.803 -0.065 0.000 0.844 138 Q CB -0.229 28.532 28.738 0.039 0.000 0.898 138 Q HN 0.440 nan 8.270 nan 0.000 0.426 139 M N -0.053 119.529 119.600 -0.031 0.000 2.229 139 M HA -0.075 4.404 4.480 -0.001 0.000 0.264 139 M C 2.132 178.477 176.300 0.074 0.000 1.063 139 M CA 1.022 56.360 55.300 0.063 0.000 1.114 139 M CB -0.947 31.716 32.600 0.104 0.000 1.387 139 M HN 0.008 nan 8.290 nan 0.000 0.420 140 S N -0.583 115.020 115.700 -0.162 0.000 2.348 140 S HA -0.186 4.284 4.470 -0.001 0.000 0.221 140 S C 1.882 176.430 174.600 -0.086 0.000 1.033 140 S CA 1.578 59.681 58.200 -0.162 0.000 1.010 140 S CB -0.555 62.489 63.200 -0.260 0.000 0.891 140 S HN 0.582 nan 8.310 nan 0.000 0.442 141 H N -0.317 118.527 119.070 -0.378 0.000 2.321 141 H HA -0.111 4.444 4.556 -0.001 0.000 0.300 141 H C 1.774 176.780 175.328 -0.536 0.000 1.087 141 H CA 1.969 57.709 56.048 -0.513 0.000 1.319 141 H CB -0.226 28.996 29.762 -0.900 0.000 1.379 141 H HN 0.475 nan 8.280 nan 0.000 0.501 142 W N -0.092 121.285 121.300 0.128 0.000 2.436 142 W HA 0.083 4.743 4.660 -0.001 0.000 0.284 142 W C 2.783 179.380 176.519 0.131 0.000 1.225 142 W CA 0.701 58.121 57.345 0.125 0.000 1.271 142 W CB -0.338 29.191 29.460 0.115 0.000 1.114 142 W HN 0.299 nan 8.180 nan 0.000 0.559 143 G N 0.359 109.329 108.800 0.283 0.000 2.402 143 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.216 143 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.216 143 G C 1.666 176.833 174.900 0.445 0.000 1.162 143 G CA 1.217 46.516 45.100 0.332 0.000 0.777 143 G HN 0.270 nan 8.290 nan 0.000 0.539 144 A N 0.376 123.431 122.820 0.392 0.000 1.902 144 A HA -0.018 4.302 4.320 -0.001 0.000 0.217 144 A C 2.531 180.366 177.584 0.418 0.000 1.181 144 A CA 2.467 54.828 52.037 0.541 0.000 0.623 144 A CB -0.965 18.199 19.000 0.274 0.000 0.818 144 A HN 0.293 nan 8.150 nan 0.000 0.443 145 T N -0.332 114.314 114.554 0.153 0.000 2.674 145 T HA -0.125 4.225 4.350 -0.001 0.000 0.265 145 T C 1.915 176.849 174.700 0.390 0.000 1.039 145 T CA 1.708 63.948 62.100 0.234 0.000 1.150 145 T CB -0.498 68.444 68.868 0.123 0.000 0.864 145 T HN 0.149 nan 8.240 nan 0.000 0.427 146 V N 1.877 121.994 119.914 0.338 0.000 2.295 146 V HA -0.135 3.985 4.120 -0.001 0.000 0.246 146 V C 2.525 178.735 176.094 0.194 0.000 1.049 146 V CA 1.238 63.698 62.300 0.268 0.000 1.024 146 V CB -0.597 31.364 31.823 0.230 0.000 0.648 146 V HN 0.414 nan 8.190 nan 0.000 0.447 147 I N 1.294 121.956 120.570 0.153 0.000 2.179 147 I HA -0.205 3.964 4.170 -0.001 0.000 0.242 147 I C 2.833 179.041 176.117 0.151 0.000 1.088 147 I CA 2.421 63.702 61.300 -0.033 0.000 1.357 147 I CB -1.933 35.749 38.000 -0.530 0.000 1.051 147 I HN 0.556 nan 8.210 nan 0.000 0.409 148 T N -1.059 113.720 114.554 0.376 0.000 2.788 148 T HA -0.133 4.217 4.350 -0.001 0.000 0.268 148 T C 1.700 176.629 174.700 0.383 0.000 1.044 148 T CA 1.177 63.577 62.100 0.499 0.000 1.139 148 T CB -0.516 68.719 68.868 0.611 0.000 0.867 148 T HN 0.190 nan 8.240 nan 0.000 0.454 149 N N 0.947 119.829 118.700 0.303 0.000 2.453 149 N HA 0.024 4.764 4.740 -0.001 0.000 0.183 149 N C 1.525 177.093 175.510 0.096 0.000 1.041 149 N CA 0.324 53.490 53.050 0.193 0.000 0.900 149 N CB -0.404 38.235 38.487 0.252 0.000 0.961 149 N HN 0.237 nan 8.380 nan 0.000 0.443 150 L N 0.075 121.308 121.223 0.017 0.000 2.127 150 L HA -0.104 4.236 4.340 -0.001 0.000 0.211 150 L C 1.451 178.149 176.870 -0.288 0.000 1.089 150 L CA 1.359 56.096 54.840 -0.171 0.000 0.757 150 L CB -1.042 40.813 42.059 -0.340 0.000 0.899 150 L HN 0.100 nan 8.230 nan 0.000 0.434 151 F N -0.972 119.008 119.950 0.050 0.000 2.661 151 F HA -0.068 4.458 4.527 -0.001 0.000 0.298 151 F C 2.544 178.334 175.800 -0.017 0.000 1.137 151 F CA 0.770 58.773 58.000 0.006 0.000 1.454 151 F CB -0.971 38.030 39.000 0.003 0.000 1.103 151 F HN 0.179 nan 8.300 nan 0.000 0.577 152 S N -0.015 115.738 115.700 0.089 0.000 2.547 152 S HA -0.007 4.462 4.470 -0.001 0.000 0.235 152 S C 1.987 176.597 174.600 0.015 0.000 0.980 152 S CA 0.571 58.794 58.200 0.039 0.000 0.941 152 S CB -0.504 62.712 63.200 0.026 0.000 0.763 152 S HN 0.243 nan 8.310 nan 0.000 0.532 153 A N 1.215 124.036 122.820 0.001 0.000 2.123 153 A HA 0.387 4.707 4.320 -0.001 0.000 0.214 153 A C 0.921 178.486 177.584 -0.030 0.000 1.152 153 A CA -0.077 51.948 52.037 -0.020 0.000 0.728 153 A CB -0.525 18.459 19.000 -0.026 0.000 0.814 153 A HN 0.612 nan 8.150 nan 0.000 0.464 154 I N 2.925 123.491 120.570 -0.008 0.000 2.587 154 I HA 0.072 4.241 4.170 -0.001 0.000 0.284 154 I C -1.898 174.202 176.117 -0.028 0.000 1.134 154 I CA -1.565 59.732 61.300 -0.005 0.000 1.410 154 I CB 0.643 38.667 38.000 0.040 0.000 1.392 154 I HN 0.169 nan 8.210 nan 0.000 0.545 155 P HA 0.007 nan 4.420 nan 0.000 0.266 155 P C 0.339 177.579 177.300 -0.099 0.000 1.195 155 P CA 0.329 63.289 63.100 -0.233 0.000 0.768 155 P CB 0.625 32.116 31.700 -0.349 0.000 0.838 156 F N -0.491 119.458 119.950 -0.001 0.000 2.555 156 F HA -0.348 4.178 4.527 -0.001 0.000 0.693 156 F C 1.739 177.534 175.800 -0.008 0.000 0.487 156 F CA 1.834 59.831 58.000 -0.005 0.000 0.748 156 F CB -1.798 37.196 39.000 -0.011 0.000 1.624 156 F HN 0.246 nan 8.300 nan 0.000 0.266 157 V N -1.190 118.831 119.914 0.179 0.000 3.621 157 V HA 0.492 4.611 4.120 -0.001 0.000 0.285 157 V C 1.807 177.927 176.094 0.043 0.000 1.346 157 V CA 1.105 63.453 62.300 0.081 0.000 1.104 157 V CB -0.207 31.640 31.823 0.041 0.000 0.913 157 V HN 0.585 nan 8.190 nan 0.000 0.432 158 G N 1.799 110.625 108.800 0.043 0.000 2.491 158 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.218 158 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.218 158 G C 1.354 176.266 174.900 0.019 0.000 1.180 158 G CA 1.363 46.487 45.100 0.039 0.000 0.774 158 G HN 0.539 nan 8.290 nan 0.000 0.562 159 N N 1.201 119.906 118.700 0.008 0.000 2.166 159 N HA -0.071 4.669 4.740 -0.001 0.000 0.186 159 N C 1.742 177.232 175.510 -0.034 0.000 1.019 159 N CA 1.224 54.263 53.050 -0.019 0.000 0.856 159 N CB -0.314 38.183 38.487 0.016 0.000 0.993 159 N HN 0.279 nan 8.380 nan 0.000 0.426 160 D N 0.885 121.285 120.400 -0.000 0.000 2.117 160 D HA -0.029 4.611 4.640 -0.001 0.000 0.198 160 D C 2.099 178.410 176.300 0.017 0.000 0.982 160 D CA 0.443 54.447 54.000 0.006 0.000 0.828 160 D CB -0.089 40.711 40.800 0.001 0.000 0.967 160 D HN 0.294 nan 8.370 nan 0.000 0.464 161 I N 0.661 121.235 120.570 0.007 0.000 2.226 161 I HA -0.217 3.952 4.170 -0.001 0.000 0.245 161 I C 2.426 178.578 176.117 0.059 0.000 1.100 161 I CA 0.583 61.914 61.300 0.053 0.000 1.374 161 I CB -0.114 37.902 38.000 0.028 0.000 1.057 161 I HN -0.116 nan 8.210 nan 0.000 0.413 162 V N 0.088 119.940 119.914 -0.103 0.000 2.358 162 V HA -0.252 3.867 4.120 -0.001 0.000 0.246 162 V C 2.502 178.236 176.094 -0.600 0.000 1.047 162 V CA 2.068 64.118 62.300 -0.416 0.000 1.035 162 V CB -0.501 30.977 31.823 -0.576 0.000 0.658 162 V HN 0.366 nan 8.190 nan 0.000 0.452 163 S N -1.406 114.110 115.700 -0.307 0.000 2.399 163 S HA -0.237 4.233 4.470 -0.001 0.000 0.231 163 S C 1.485 176.113 174.600 0.047 0.000 1.022 163 S CA 1.692 59.838 58.200 -0.090 0.000 0.983 163 S CB -0.413 62.789 63.200 0.004 0.000 0.803 163 S HN 0.799 nan 8.310 nan 0.000 0.480 164 W N 2.302 123.533 121.300 -0.114 0.000 2.379 164 W HA 0.023 4.683 4.660 -0.001 0.000 0.307 164 W C 1.573 178.072 176.519 -0.032 0.000 1.200 164 W CA 0.830 58.136 57.345 -0.066 0.000 1.297 164 W CB -0.539 28.877 29.460 -0.075 0.000 1.140 164 W HN 0.171 nan 8.180 nan 0.000 0.507 165 L N -0.592 120.576 121.223 -0.092 0.000 2.046 165 L HA -0.235 4.105 4.340 -0.001 0.000 0.208 165 L C 2.367 179.219 176.870 -0.031 0.000 1.077 165 L CA 1.303 56.029 54.840 -0.190 0.000 0.747 165 L CB -1.059 40.988 42.059 -0.020 0.000 0.896 165 L HN 0.083 nan 8.230 nan 0.000 0.432 166 W N -0.015 121.218 121.300 -0.111 0.000 2.418 166 W HA 0.091 4.751 4.660 -0.001 0.000 0.292 166 W C 1.826 178.217 176.519 -0.214 0.000 1.213 166 W CA 1.087 58.335 57.345 -0.161 0.000 1.283 166 W CB -1.175 28.238 29.460 -0.078 0.000 1.119 166 W HN 0.356 nan 8.180 nan 0.000 0.542 167 G N 0.266 109.082 108.800 0.027 0.000 2.147 167 G HA2 0.057 4.017 3.960 -0.001 0.000 0.244 167 G HA3 0.057 4.017 3.960 -0.001 0.000 0.244 167 G C 0.440 175.301 174.900 -0.065 0.000 1.005 167 G CA 0.527 45.586 45.100 -0.069 0.000 0.713 167 G HN 0.750 nan 8.290 nan 0.000 0.515 168 G N -2.176 106.611 108.800 -0.020 0.000 2.364 168 G HA2 0.533 4.493 3.960 -0.001 0.000 0.286 168 G HA3 0.533 4.493 3.960 -0.001 0.000 0.286 168 G C 0.108 174.948 174.900 -0.099 0.000 1.241 168 G CA 0.160 45.156 45.100 -0.174 0.000 0.887 168 G HN 0.379 nan 8.290 nan 0.000 0.484 169 F N 1.820 121.865 119.950 0.158 0.000 2.710 169 F HA 0.408 4.934 4.527 -0.001 0.000 0.298 169 F C 1.582 177.429 175.800 0.079 0.000 1.137 169 F CA 0.793 58.913 58.000 0.201 0.000 1.444 169 F CB 0.325 39.387 39.000 0.104 0.000 1.111 169 F HN 0.637 nan 8.300 nan 0.000 0.580 170 S N -2.515 113.093 115.700 -0.154 0.000 2.655 170 S HA 0.399 4.868 4.470 -0.001 0.000 0.266 170 S C -1.021 172.964 174.600 -1.026 0.000 1.149 170 S CA -1.248 56.339 58.200 -1.022 0.000 0.818 170 S CB 0.873 63.789 63.200 -0.473 0.000 1.130 170 S HN -0.293 nan 8.310 nan 0.000 0.476 171 V N 2.941 122.150 119.914 -1.175 0.000 2.434 171 V HA 0.466 4.586 4.120 -0.001 0.000 0.281 171 V C 0.662 176.531 176.094 -0.376 0.000 1.005 171 V CA 1.112 62.954 62.300 -0.764 0.000 1.089 171 V CB -0.729 30.619 31.823 -0.792 0.000 0.978 171 V HN 1.079 nan 8.190 nan 0.000 0.474 172 S N 3.629 119.137 115.700 -0.320 0.000 2.998 172 S HA 0.313 4.783 4.470 -0.001 0.000 0.321 172 S C 1.102 175.544 174.600 -0.263 0.000 1.171 172 S CA -0.216 57.848 58.200 -0.227 0.000 0.882 172 S CB 1.025 64.132 63.200 -0.154 0.000 1.301 172 S HN 0.496 nan 8.310 nan 0.000 0.629 173 N N 1.850 120.417 118.700 -0.220 0.000 2.037 173 N HA -0.093 4.647 4.740 -0.001 0.000 0.196 173 N C -1.084 174.312 175.510 -0.190 0.000 1.034 173 N CA 2.062 54.983 53.050 -0.214 0.000 0.861 173 N CB -1.220 37.172 38.487 -0.159 0.000 1.039 173 N HN 0.355 nan 8.380 nan 0.000 0.427 174 P HA -0.059 nan 4.420 nan 0.000 0.216 174 P C 1.160 178.334 177.300 -0.209 0.000 1.150 174 P CA 1.549 64.560 63.100 -0.149 0.000 0.837 174 P CB -0.197 31.427 31.700 -0.126 0.000 0.786 175 T N -0.263 114.111 114.554 -0.299 0.000 2.737 175 T HA -0.100 4.250 4.350 -0.001 0.000 0.265 175 T C 1.718 176.038 174.700 -0.633 0.000 1.038 175 T CA 1.057 62.832 62.100 -0.543 0.000 1.144 175 T CB -0.751 67.764 68.868 -0.587 0.000 0.866 175 T HN -0.037 nan 8.240 nan 0.000 0.434 176 I N 1.815 122.153 120.570 -0.386 0.000 2.252 176 I HA -0.114 4.055 4.170 -0.001 0.000 0.245 176 I C 2.585 178.703 176.117 0.002 0.000 1.102 176 I CA 1.326 62.512 61.300 -0.190 0.000 1.385 176 I CB -1.370 36.505 38.000 -0.208 0.000 1.064 176 I HN 0.371 nan 8.210 nan 0.000 0.414 177 Q N 0.569 120.350 119.800 -0.032 0.000 2.119 177 Q HA -0.186 4.153 4.340 -0.001 0.000 0.201 177 Q C 2.305 178.389 176.000 0.139 0.000 0.972 177 Q CA 1.398 57.249 55.803 0.080 0.000 0.847 177 Q CB -0.213 28.531 28.738 0.010 0.000 0.903 177 Q HN 0.628 nan 8.270 nan 0.000 0.433 178 R N -0.511 120.020 120.500 0.052 0.000 2.119 178 R HA -0.043 4.296 4.340 -0.001 0.000 0.222 178 R C 1.765 178.235 176.300 0.284 0.000 1.088 178 R CA 0.905 57.065 56.100 0.101 0.000 0.984 178 R CB -0.366 29.939 30.300 0.008 0.000 0.884 178 R HN 0.053 nan 8.270 nan 0.000 0.447 179 F N 1.170 121.152 119.950 0.052 0.000 2.171 179 F HA -0.054 4.472 4.527 -0.001 0.000 0.300 179 F C 2.142 178.023 175.800 0.136 0.000 1.090 179 F CA 0.210 58.241 58.000 0.053 0.000 1.293 179 F CB -1.019 37.973 39.000 -0.015 0.000 1.013 179 F HN -0.032 nan 8.300 nan 0.000 0.486 180 F N 0.588 120.697 119.950 0.266 0.000 2.146 180 F HA -0.089 4.437 4.527 -0.001 0.000 0.298 180 F C 2.320 178.277 175.800 0.261 0.000 1.096 180 F CA 1.447 59.596 58.000 0.247 0.000 1.275 180 F CB -0.278 38.903 39.000 0.301 0.000 1.008 180 F HN -0.090 nan 8.300 nan 0.000 0.480 181 A N 0.417 123.248 122.820 0.019 0.000 1.902 181 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 181 A C 1.977 179.532 177.584 -0.049 0.000 1.181 181 A CA 1.640 53.619 52.037 -0.096 0.000 0.623 181 A CB -1.015 17.989 19.000 0.007 0.000 0.818 181 A HN 0.412 nan 8.150 nan 0.000 0.443 182 L N -1.034 120.213 121.223 0.041 0.000 2.156 182 L HA -0.072 4.268 4.340 -0.001 0.000 0.208 182 L C 2.242 179.141 176.870 0.049 0.000 1.095 182 L CA 2.097 56.965 54.840 0.046 0.000 0.770 182 L CB -1.486 40.610 42.059 0.061 0.000 0.914 182 L HN 0.662 nan 8.230 nan 0.000 0.439 183 H N -1.968 117.079 119.070 -0.038 0.000 2.421 183 H HA -0.225 4.330 4.556 -0.001 0.000 0.298 183 H C 2.153 177.455 175.328 -0.042 0.000 1.087 183 H CA 1.745 57.767 56.048 -0.044 0.000 1.330 183 H CB -0.118 29.634 29.762 -0.016 0.000 1.388 183 H HN 0.394 nan 8.280 nan 0.000 0.526 184 Y N -0.544 119.583 120.300 -0.290 0.000 2.220 184 Y HA -0.143 4.406 4.550 -0.000 0.000 0.291 184 Y C 2.499 178.388 175.900 -0.018 0.000 1.129 184 Y CA 0.853 58.811 58.100 -0.238 0.000 1.161 184 Y CB 0.060 38.325 38.460 -0.324 0.000 0.997 184 Y HN 0.242 nan 8.280 nan 0.000 0.522 185 L N -0.601 120.746 121.223 0.207 0.000 1.988 185 L HA -0.197 4.143 4.340 -0.001 0.000 0.207 185 L C 2.193 179.165 176.870 0.171 0.000 1.071 185 L CA 1.514 56.476 54.840 0.203 0.000 0.744 185 L CB -0.703 41.397 42.059 0.068 0.000 0.893 185 L HN 0.153 nan 8.230 nan 0.000 0.433 186 V N 0.711 120.653 119.914 0.046 0.000 2.370 186 V HA -0.217 3.903 4.120 -0.001 0.000 0.252 186 V C -0.266 175.799 176.094 -0.048 0.000 1.068 186 V CA 2.021 64.321 62.300 0.001 0.000 1.061 186 V CB -2.037 29.774 31.823 -0.021 0.000 0.656 186 V HN 0.374 nan 8.190 nan 0.000 0.455 187 P HA -0.125 nan 4.420 nan 0.000 0.218 187 P C 1.532 178.651 177.300 -0.301 0.000 1.148 187 P CA 1.505 64.439 63.100 -0.275 0.000 0.822 187 P CB -0.135 31.295 31.700 -0.451 0.000 0.784 188 F N -1.584 118.348 119.950 -0.031 0.000 2.293 188 F HA -0.021 4.506 4.527 -0.000 0.000 0.297 188 F C 2.181 177.967 175.800 -0.023 0.000 1.089 188 F CA 0.802 58.791 58.000 -0.019 0.000 1.377 188 F CB -0.777 38.220 39.000 -0.006 0.000 1.051 188 F HN -0.168 nan 8.300 nan 0.000 0.511 189 I N -0.220 120.424 120.570 0.124 0.000 2.353 189 I HA -0.259 3.911 4.170 -0.001 0.000 0.248 189 I C 2.202 178.330 176.117 0.018 0.000 1.119 189 I CA 1.201 62.538 61.300 0.062 0.000 1.417 189 I CB -0.398 37.627 38.000 0.041 0.000 1.078 189 I HN 0.097 nan 8.210 nan 0.000 0.421 190 I N 0.972 121.531 120.570 -0.020 0.000 2.226 190 I HA -0.291 3.878 4.170 -0.001 0.000 0.245 190 I C 2.857 178.956 176.117 -0.030 0.000 1.100 190 I CA 1.357 62.630 61.300 -0.046 0.000 1.374 190 I CB -0.478 37.474 38.000 -0.080 0.000 1.057 190 I HN 0.177 nan 8.210 nan 0.000 0.413 191 A N 0.842 123.642 122.820 -0.034 0.000 1.908 191 A HA -0.234 4.085 4.320 -0.001 0.000 0.218 191 A C 2.546 180.135 177.584 0.008 0.000 1.181 191 A CA 2.110 54.135 52.037 -0.021 0.000 0.627 191 A CB -0.913 18.076 19.000 -0.018 0.000 0.818 191 A HN 0.451 nan 8.150 nan 0.000 0.445 192 A N -1.141 121.697 122.820 0.030 0.000 1.902 192 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 192 A C 2.135 179.735 177.584 0.027 0.000 1.181 192 A CA 1.968 54.023 52.037 0.030 0.000 0.623 192 A CB -0.454 18.570 19.000 0.040 0.000 0.818 192 A HN 0.430 nan 8.150 nan 0.000 0.443 193 M N -0.486 119.127 119.600 0.020 0.000 2.296 193 M HA -0.050 4.430 4.480 -0.001 0.000 0.265 193 M C 2.092 178.418 176.300 0.043 0.000 1.064 193 M CA 0.993 56.307 55.300 0.025 0.000 1.109 193 M CB -1.137 31.462 32.600 -0.003 0.000 1.396 193 M HN 0.241 nan 8.290 nan 0.000 0.430 194 V N 0.243 120.174 119.914 0.027 0.000 2.453 194 V HA -0.211 3.909 4.120 -0.001 0.000 0.247 194 V C 2.342 178.494 176.094 0.097 0.000 1.048 194 V CA 1.219 63.556 62.300 0.061 0.000 1.049 194 V CB -0.430 31.403 31.823 0.018 0.000 0.672 194 V HN 0.336 nan 8.190 nan 0.000 0.457 195 I N -0.689 119.906 120.570 0.040 0.000 2.226 195 I HA -0.299 3.871 4.170 -0.001 0.000 0.245 195 I C 2.481 178.629 176.117 0.052 0.000 1.100 195 I CA 1.795 63.098 61.300 0.005 0.000 1.374 195 I CB -0.251 37.734 38.000 -0.025 0.000 1.057 195 I HN 0.263 nan 8.210 nan 0.000 0.413 196 M N -0.700 118.947 119.600 0.079 0.000 2.159 196 M HA -0.245 4.234 4.480 -0.001 0.000 0.263 196 M C 2.398 178.799 176.300 0.168 0.000 1.063 196 M CA 1.671 57.034 55.300 0.105 0.000 1.110 196 M CB -0.660 31.996 32.600 0.092 0.000 1.374 196 M HN 0.273 nan 8.290 nan 0.000 0.411 197 H N 0.752 119.866 119.070 0.073 0.000 2.321 197 H HA -0.067 4.488 4.556 -0.001 0.000 0.300 197 H C 1.772 177.182 175.328 0.136 0.000 1.087 197 H CA 1.822 57.932 56.048 0.102 0.000 1.319 197 H CB -0.155 29.662 29.762 0.092 0.000 1.379 197 H HN 0.244 nan 8.280 nan 0.000 0.501 198 L N -0.591 120.744 121.223 0.188 0.000 2.083 198 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 198 L C 2.573 179.610 176.870 0.280 0.000 1.083 198 L CA 1.312 56.263 54.840 0.186 0.000 0.752 198 L CB -0.350 41.791 42.059 0.136 0.000 0.899 198 L HN 0.385 nan 8.230 nan 0.000 0.433 199 M N -0.760 118.966 119.600 0.210 0.000 2.117 199 M HA -0.182 4.298 4.480 -0.001 0.000 0.262 199 M C 2.523 178.928 176.300 0.175 0.000 1.065 199 M CA 1.887 57.324 55.300 0.228 0.000 1.114 199 M CB -0.489 32.196 32.600 0.142 0.000 1.361 199 M HN 0.310 nan 8.290 nan 0.000 0.408 200 A N 0.260 123.158 122.820 0.130 0.000 1.930 200 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 200 A C 2.096 179.742 177.584 0.103 0.000 1.175 200 A CA 1.298 53.402 52.037 0.112 0.000 0.627 200 A CB -0.756 18.316 19.000 0.119 0.000 0.815 200 A HN 0.454 nan 8.150 nan 0.000 0.443 201 L N -0.865 120.401 121.223 0.072 0.000 2.046 201 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 201 L C 2.328 179.244 176.870 0.078 0.000 1.077 201 L CA 2.593 57.471 54.840 0.063 0.000 0.747 201 L CB -0.839 41.237 42.059 0.029 0.000 0.896 201 L HN 0.608 nan 8.230 nan 0.000 0.432 202 H N 0.262 119.317 119.070 -0.025 0.000 2.422 202 H HA -0.149 4.407 4.556 -0.001 0.000 0.298 202 H C 2.173 177.395 175.328 -0.177 0.000 1.098 202 H CA 2.072 58.022 56.048 -0.163 0.000 1.315 202 H CB 0.053 29.623 29.762 -0.320 0.000 1.382 202 H HN 0.638 nan 8.280 nan 0.000 0.523 203 I N -2.075 118.407 120.570 -0.148 0.000 2.676 203 I HA -0.135 4.035 4.170 -0.001 0.000 0.259 203 I C 1.271 177.088 176.117 -0.499 0.000 1.194 203 I CA 1.327 62.420 61.300 -0.345 0.000 1.473 203 I CB -0.258 37.517 38.000 -0.375 0.000 1.096 203 I HN 0.153 nan 8.210 nan 0.000 0.443 204 H N 1.212 120.235 119.070 -0.078 0.000 3.058 204 H HA 0.397 4.953 4.556 -0.001 0.000 0.258 204 H C 1.278 176.550 175.328 -0.093 0.000 1.015 204 H CA 0.530 56.533 56.048 -0.075 0.000 1.210 204 H CB 0.703 30.439 29.762 -0.043 0.000 1.481 204 H HN 0.460 nan 8.280 nan 0.000 0.492 205 G N 1.058 109.844 108.800 -0.022 0.000 2.828 205 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.463 205 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.463 205 G C -0.275 174.631 174.900 0.009 0.000 1.394 205 G CA -0.067 44.999 45.100 -0.056 0.000 0.862 205 G HN 0.285 nan 8.290 nan 0.000 0.540 206 S N -0.653 115.041 115.700 -0.010 0.000 2.603 206 S HA 0.613 5.083 4.470 -0.001 0.000 0.268 206 S C 0.998 175.616 174.600 0.030 0.000 1.317 206 S CA 0.485 58.724 58.200 0.065 0.000 1.012 206 S CB 1.546 64.768 63.200 0.037 0.000 0.926 206 S HN 1.237 nan 8.310 nan 0.000 0.539 207 S N 1.183 116.984 115.700 0.168 0.000 2.607 207 S HA 0.463 4.932 4.470 -0.001 0.000 0.272 207 S C -0.257 174.289 174.600 -0.091 0.000 1.166 207 S CA -0.789 57.465 58.200 0.090 0.000 1.021 207 S CB 0.078 63.382 63.200 0.173 0.000 1.113 207 S HN 0.911 nan 8.310 nan 0.000 0.531 208 N N -0.290 118.315 118.700 -0.158 0.000 2.732 208 N HA 0.337 5.077 4.740 -0.001 0.000 0.259 208 N C -2.771 172.525 175.510 -0.357 0.000 1.402 208 N CA -1.448 51.247 53.050 -0.591 0.000 0.829 208 N CB 1.372 39.595 38.487 -0.440 0.000 1.495 208 N HN 0.270 nan 8.380 nan 0.000 0.511 209 P HA -0.006 nan 4.420 nan 0.000 0.225 209 P C 1.212 178.553 177.300 0.067 0.000 1.148 209 P CA 0.785 63.805 63.100 -0.134 0.000 0.779 209 P CB 0.342 32.002 31.700 -0.067 0.000 0.780 210 L N -1.636 119.594 121.223 0.011 0.000 2.418 210 L HA 0.197 4.536 4.340 -0.001 0.000 0.218 210 L C 1.857 178.812 176.870 0.143 0.000 1.125 210 L CA 0.841 55.745 54.840 0.107 0.000 0.835 210 L CB -1.090 41.058 42.059 0.147 0.000 0.953 210 L HN 0.088 nan 8.230 nan 0.000 0.454 211 G N 1.409 110.256 108.800 0.078 0.000 2.168 211 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.263 211 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.263 211 G C 0.401 175.315 174.900 0.023 0.000 0.977 211 G CA 0.771 45.907 45.100 0.060 0.000 0.659 211 G HN 0.487 nan 8.290 nan 0.000 0.533 212 I N -2.922 117.661 120.570 0.021 0.000 3.474 212 I HA 0.813 4.983 4.170 -0.001 0.000 0.294 212 I C 0.771 176.867 176.117 -0.035 0.000 1.185 212 I CA -0.567 60.728 61.300 -0.007 0.000 1.003 212 I CB 1.149 39.152 38.000 0.004 0.000 1.327 212 I HN 0.038 nan 8.210 nan 0.000 0.541 213 T N 0.808 115.337 114.554 -0.041 0.000 2.928 213 T HA 0.226 4.576 4.350 -0.001 0.000 0.305 213 T C 0.888 175.552 174.700 -0.059 0.000 1.035 213 T CA 0.476 62.546 62.100 -0.050 0.000 1.145 213 T CB 0.345 69.186 68.868 -0.045 0.000 0.963 213 T HN 0.881 nan 8.240 nan 0.000 0.545 214 G N 3.764 112.521 108.800 -0.073 0.000 3.233 214 G HA2 0.023 3.982 3.960 -0.001 0.000 0.234 214 G HA3 0.023 3.982 3.960 -0.001 0.000 0.234 214 G C 1.322 176.176 174.900 -0.076 0.000 1.137 214 G CA -0.322 44.724 45.100 -0.090 0.000 0.763 214 G HN 0.678 nan 8.290 nan 0.000 0.549 215 N N 0.614 119.278 118.700 -0.061 0.000 2.381 215 N HA -0.040 4.700 4.740 -0.001 0.000 0.182 215 N C 1.620 177.101 175.510 -0.048 0.000 1.025 215 N CA 0.540 53.557 53.050 -0.054 0.000 0.888 215 N CB 0.052 38.512 38.487 -0.045 0.000 0.965 215 N HN 0.234 nan 8.380 nan 0.000 0.438 216 L N -0.335 120.860 121.223 -0.047 0.000 2.492 216 L HA 0.124 4.464 4.340 -0.001 0.000 0.223 216 L C 0.028 176.872 176.870 -0.044 0.000 1.132 216 L CA 0.740 55.555 54.840 -0.042 0.000 0.850 216 L CB -0.060 41.977 42.059 -0.038 0.000 0.966 216 L HN -0.076 nan 8.230 nan 0.000 0.454 217 D N -0.083 120.285 120.400 -0.053 0.000 2.411 217 D HA 0.214 4.854 4.640 -0.001 0.000 0.239 217 D C -0.584 175.677 176.300 -0.066 0.000 1.307 217 D CA -0.347 53.619 54.000 -0.057 0.000 0.930 217 D CB 0.756 41.520 40.800 -0.059 0.000 1.395 217 D HN -0.195 nan 8.370 nan 0.000 0.536 218 R N 1.968 122.434 120.500 -0.057 0.000 2.720 218 R HA 0.741 5.080 4.340 -0.001 0.000 0.272 218 R C 0.143 176.419 176.300 -0.040 0.000 0.991 218 R CA -0.891 55.179 56.100 -0.049 0.000 1.010 218 R CB 1.217 31.491 30.300 -0.042 0.000 1.141 218 R HN 0.538 nan 8.270 nan 0.000 0.494 219 I N -2.047 118.519 120.570 -0.007 0.000 2.769 219 I HA 0.540 4.709 4.170 -0.001 0.000 0.298 219 I C -2.756 173.452 176.117 0.151 0.000 1.128 219 I CA -3.080 58.214 61.300 -0.011 0.000 1.031 219 I CB 2.722 40.556 38.000 -0.277 0.000 1.235 219 I HN 0.163 nan 8.210 nan 0.000 0.423 220 P HA 0.144 nan 4.420 nan 0.000 0.268 220 P C 0.436 177.965 177.300 0.382 0.000 1.205 220 P CA -0.302 62.953 63.100 0.257 0.000 0.771 220 P CB 0.690 32.534 31.700 0.239 0.000 0.858 221 M N 3.026 122.823 119.600 0.329 0.000 2.117 221 M HA -0.144 4.335 4.480 -0.001 0.000 0.262 221 M C 0.813 177.331 176.300 0.363 0.000 1.065 221 M CA 1.638 57.175 55.300 0.396 0.000 1.114 221 M CB -0.917 31.836 32.600 0.255 0.000 1.361 221 M HN 0.340 nan 8.290 nan 0.000 0.408 222 H N 0.269 119.455 119.070 0.194 0.000 2.929 222 H HA 0.274 4.830 4.556 -0.001 0.000 0.317 222 H C 0.699 176.074 175.328 0.078 0.000 1.031 222 H CA 0.638 56.766 56.048 0.133 0.000 1.466 222 H CB 0.518 30.339 29.762 0.099 0.000 1.482 222 H HN 0.595 nan 8.280 nan 0.000 0.561 223 S N 2.177 117.661 115.700 -0.361 0.000 2.512 223 S HA -0.314 4.156 4.470 -0.001 0.000 0.252 223 S C 1.478 176.012 174.600 -0.110 0.000 1.147 223 S CA 0.915 58.929 58.200 -0.309 0.000 2.484 223 S CB -1.787 60.934 63.200 -0.798 0.000 0.785 223 S HN 0.733 nan 8.310 nan 0.000 0.482 224 Y N 1.083 121.314 120.300 -0.115 0.000 1.993 224 Y HA -0.197 4.353 4.550 -0.001 0.000 0.267 224 Y C 2.266 177.924 175.900 -0.403 0.000 1.155 224 Y CA 2.507 60.414 58.100 -0.321 0.000 1.105 224 Y CB -0.513 37.634 38.460 -0.522 0.000 0.960 224 Y HN 0.459 nan 8.280 nan 0.000 0.486 225 F N -1.682 118.396 119.950 0.213 0.000 2.512 225 F HA -0.072 4.454 4.527 -0.001 0.000 0.296 225 F C 2.045 177.897 175.800 0.086 0.000 1.110 225 F CA 0.096 58.168 58.000 0.121 0.000 1.446 225 F CB -0.182 38.872 39.000 0.090 0.000 1.092 225 F HN 0.055 nan 8.300 nan 0.000 0.554 226 I N -0.611 120.075 120.570 0.195 0.000 2.252 226 I HA -0.258 3.912 4.170 -0.001 0.000 0.245 226 I C 2.074 178.101 176.117 -0.149 0.000 1.102 226 I CA 1.789 63.105 61.300 0.026 0.000 1.385 226 I CB -1.128 36.895 38.000 0.038 0.000 1.064 226 I HN 0.100 nan 8.210 nan 0.000 0.414 227 F N 0.934 120.898 119.950 0.024 0.000 2.367 227 F HA -0.051 4.475 4.527 -0.001 0.000 0.298 227 F C 2.508 178.336 175.800 0.046 0.000 1.094 227 F CA 0.871 58.881 58.000 0.018 0.000 1.409 227 F CB -0.335 38.651 39.000 -0.023 0.000 1.064 227 F HN -0.015 nan 8.300 nan 0.000 0.528 228 K N 0.375 120.876 120.400 0.169 0.000 2.103 228 K HA -0.145 4.174 4.320 -0.001 0.000 0.204 228 K C 1.453 178.173 176.600 0.200 0.000 1.052 228 K CA 1.541 57.923 56.287 0.159 0.000 0.945 228 K CB -0.081 32.434 32.500 0.026 0.000 0.722 228 K HN 0.029 nan 8.250 nan 0.000 0.443 229 D N 0.888 121.373 120.400 0.143 0.000 2.178 229 D HA -0.151 4.489 4.640 -0.001 0.000 0.201 229 D C 1.722 178.022 176.300 -0.000 0.000 0.980 229 D CA 0.580 54.636 54.000 0.094 0.000 0.842 229 D CB -0.019 40.811 40.800 0.050 0.000 0.948 229 D HN 0.116 nan 8.370 nan 0.000 0.472 230 L N 0.421 121.607 121.223 -0.061 0.000 2.083 230 L HA -0.121 4.218 4.340 -0.001 0.000 0.209 230 L C 2.223 179.032 176.870 -0.100 0.000 1.083 230 L CA 1.064 55.773 54.840 -0.219 0.000 0.752 230 L CB -0.441 41.499 42.059 -0.199 0.000 0.899 230 L HN -0.112 nan 8.230 nan 0.000 0.433 231 V N -0.493 119.499 119.914 0.131 0.000 2.255 231 V HA -0.333 3.786 4.120 -0.001 0.000 0.247 231 V C 2.540 178.737 176.094 0.171 0.000 1.051 231 V CA 2.316 64.748 62.300 0.220 0.000 1.018 231 V CB -1.357 30.631 31.823 0.274 0.000 0.641 231 V HN 0.706 nan 8.190 nan 0.000 0.445 232 T N -2.693 111.952 114.554 0.151 0.000 3.023 232 T HA -0.045 4.305 4.350 -0.001 0.000 0.266 232 T C 1.789 176.567 174.700 0.130 0.000 1.093 232 T CA 1.090 63.270 62.100 0.135 0.000 1.129 232 T CB -0.082 68.878 68.868 0.154 0.000 0.899 232 T HN 0.216 nan 8.240 nan 0.000 0.491 233 V N 0.606 120.522 119.914 0.003 0.000 2.358 233 V HA -0.032 4.087 4.120 -0.001 0.000 0.246 233 V C 2.254 178.401 176.094 0.087 0.000 1.047 233 V CA 1.579 63.839 62.300 -0.066 0.000 1.035 233 V CB -0.760 30.883 31.823 -0.301 0.000 0.658 233 V HN 0.502 nan 8.190 nan 0.000 0.452 234 F N -0.962 119.073 119.950 0.141 0.000 2.146 234 F HA -0.165 4.362 4.527 -0.001 0.000 0.298 234 F C 2.216 178.105 175.800 0.149 0.000 1.096 234 F CA 1.108 59.188 58.000 0.132 0.000 1.275 234 F CB -0.263 38.795 39.000 0.098 0.000 1.008 234 F HN 0.166 nan 8.300 nan 0.000 0.480 235 L N -0.068 121.351 121.223 0.327 0.000 2.046 235 L HA -0.223 4.117 4.340 -0.001 0.000 0.208 235 L C 2.116 179.151 176.870 0.275 0.000 1.077 235 L CA 1.631 56.614 54.840 0.240 0.000 0.747 235 L CB -1.072 41.084 42.059 0.162 0.000 0.896 235 L HN 0.169 nan 8.230 nan 0.000 0.432 236 F N -0.270 119.782 119.950 0.170 0.000 2.102 236 F HA -0.257 4.269 4.527 -0.001 0.000 0.298 236 F C 2.255 178.174 175.800 0.197 0.000 1.105 236 F CA 2.067 60.190 58.000 0.204 0.000 1.239 236 F CB -0.186 38.902 39.000 0.146 0.000 0.991 236 F HN 0.068 nan 8.300 nan 0.000 0.474 237 M N -0.113 119.692 119.600 0.343 0.000 2.159 237 M HA -0.207 4.273 4.480 -0.001 0.000 0.263 237 M C 2.335 178.706 176.300 0.118 0.000 1.063 237 M CA 1.384 56.807 55.300 0.205 0.000 1.110 237 M CB -0.573 32.213 32.600 0.309 0.000 1.374 237 M HN 0.356 nan 8.290 nan 0.000 0.411 238 L N 0.612 121.935 121.223 0.168 0.000 1.994 238 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 238 L C 2.287 179.247 176.870 0.149 0.000 1.071 238 L CA 1.788 56.716 54.840 0.146 0.000 0.745 238 L CB -0.289 41.857 42.059 0.145 0.000 0.892 238 L HN 0.291 nan 8.230 nan 0.000 0.431 239 I N -0.400 120.271 120.570 0.169 0.000 2.226 239 I HA -0.332 3.838 4.170 -0.001 0.000 0.245 239 I C 2.482 178.782 176.117 0.304 0.000 1.100 239 I CA 0.907 62.377 61.300 0.283 0.000 1.374 239 I CB -0.283 37.922 38.000 0.342 0.000 1.057 239 I HN 0.318 nan 8.210 nan 0.000 0.413 240 L N 1.323 122.484 121.223 -0.103 0.000 2.046 240 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 240 L C 2.552 179.338 176.870 -0.140 0.000 1.077 240 L CA 2.137 56.604 54.840 -0.621 0.000 0.747 240 L CB -0.873 40.602 42.059 -0.973 0.000 0.896 240 L HN 0.188 nan 8.230 nan 0.000 0.432 241 A N -0.731 122.112 122.820 0.039 0.000 1.933 241 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 241 A C 2.271 180.042 177.584 0.311 0.000 1.175 241 A CA 1.812 53.992 52.037 0.239 0.000 0.628 241 A CB -0.823 18.338 19.000 0.269 0.000 0.814 241 A HN 0.506 nan 8.150 nan 0.000 0.444 242 L N -2.177 119.209 121.223 0.271 0.000 2.046 242 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 242 L C 2.461 179.443 176.870 0.187 0.000 1.077 242 L CA 1.389 56.400 54.840 0.286 0.000 0.747 242 L CB -0.493 41.670 42.059 0.174 0.000 0.896 242 L HN 0.402 nan 8.230 nan 0.000 0.432 243 F N -1.049 118.970 119.950 0.115 0.000 2.098 243 F HA -0.167 4.359 4.527 -0.001 0.000 0.294 243 F C 2.384 178.153 175.800 -0.053 0.000 1.107 243 F CA 1.203 59.241 58.000 0.062 0.000 1.234 243 F CB -0.686 38.370 39.000 0.092 0.000 1.002 243 F HN -0.272 nan 8.300 nan 0.000 0.472 244 V N -0.547 119.405 119.914 0.062 0.000 2.282 244 V HA -0.326 3.794 4.120 -0.001 0.000 0.249 244 V C 1.991 177.887 176.094 -0.330 0.000 1.057 244 V CA 2.044 64.228 62.300 -0.192 0.000 1.032 244 V CB -0.720 30.891 31.823 -0.353 0.000 0.645 244 V HN 0.242 nan 8.190 nan 0.000 0.447 245 F N -2.522 117.369 119.950 -0.098 0.000 2.446 245 F HA 0.122 4.648 4.527 -0.001 0.000 0.292 245 F C 1.950 177.513 175.800 -0.394 0.000 1.096 245 F CA 0.736 58.579 58.000 -0.261 0.000 1.438 245 F CB -0.101 38.636 39.000 -0.438 0.000 1.107 245 F HN 0.095 nan 8.300 nan 0.000 0.546 246 Y N -2.788 117.582 120.300 0.116 0.000 2.498 246 Y HA 0.244 4.793 4.550 -0.001 0.000 0.259 246 Y C 1.154 177.012 175.900 -0.069 0.000 1.086 246 Y CA 0.071 58.178 58.100 0.012 0.000 1.287 246 Y CB 0.706 39.157 38.460 -0.016 0.000 1.146 246 Y HN -0.223 nan 8.280 nan 0.000 0.523 247 S N 0.728 116.441 115.700 0.023 0.000 2.512 247 S HA 0.199 4.668 4.470 -0.001 0.000 0.161 247 S C -2.162 172.436 174.600 -0.004 0.000 1.383 247 S CA -0.978 57.201 58.200 -0.034 0.000 1.248 247 S CB 0.278 63.392 63.200 -0.143 0.000 1.488 247 S HN -0.003 nan 8.310 nan 0.000 0.382 248 P HA 0.011 nan 4.420 nan 0.000 0.226 248 P C 0.404 177.600 177.300 -0.173 0.000 1.153 248 P CA 0.866 63.729 63.100 -0.395 0.000 0.777 248 P CB 0.118 31.017 31.700 -1.336 0.000 0.794 249 N N -1.412 117.279 118.700 -0.014 0.000 2.187 249 N HA 0.055 4.794 4.740 -0.001 0.000 0.212 249 N C 1.103 176.726 175.510 0.188 0.000 1.152 249 N CA 0.213 53.362 53.050 0.164 0.000 0.872 249 N CB 0.103 38.734 38.487 0.240 0.000 1.025 249 N HN 0.028 nan 8.380 nan 0.000 0.514 250 T N 1.140 115.801 114.554 0.179 0.000 2.788 250 T HA 0.041 4.390 4.350 -0.001 0.000 0.268 250 T C 1.866 176.683 174.700 0.195 0.000 1.044 250 T CA 0.787 62.995 62.100 0.180 0.000 1.139 250 T CB 0.105 69.097 68.868 0.207 0.000 0.867 250 T HN 0.200 nan 8.240 nan 0.000 0.454 251 L N 0.247 121.619 121.223 0.249 0.000 2.558 251 L HA 0.293 4.633 4.340 -0.001 0.000 0.225 251 L C 1.526 178.578 176.870 0.303 0.000 1.128 251 L CA -0.384 54.604 54.840 0.247 0.000 0.868 251 L CB -0.310 41.921 42.059 0.286 0.000 1.006 251 L HN 0.184 nan 8.230 nan 0.000 0.454 252 G N -1.931 107.033 108.800 0.273 0.000 2.613 252 G HA2 0.287 4.247 3.960 -0.001 0.000 0.303 252 G HA3 0.287 4.247 3.960 -0.001 0.000 0.303 252 G C -1.450 173.614 174.900 0.273 0.000 1.312 252 G CA -0.370 44.903 45.100 0.289 0.000 1.036 252 G HN 0.168 nan 8.290 nan 0.000 0.513 253 H N -0.392 118.802 119.070 0.206 0.000 2.505 253 H HA 0.377 4.932 4.556 -0.001 0.000 0.338 253 H C -1.575 173.879 175.328 0.209 0.000 1.057 253 H CA -1.856 54.300 56.048 0.181 0.000 1.202 253 H CB 2.702 32.563 29.762 0.165 0.000 1.466 253 H HN 0.146 nan 8.280 nan 0.000 0.499 254 P HA -0.173 nan 4.420 nan 0.000 0.217 254 P C 0.729 178.283 177.300 0.423 0.000 1.148 254 P CA 1.071 64.444 63.100 0.454 0.000 0.828 254 P CB 0.322 32.205 31.700 0.305 0.000 0.783 255 D N -1.438 119.215 120.400 0.421 0.000 2.265 255 D HA -0.130 4.510 4.640 -0.001 0.000 0.208 255 D C 1.412 177.752 176.300 0.066 0.000 0.977 255 D CA 0.925 54.996 54.000 0.119 0.000 0.871 255 D CB -0.883 39.811 40.800 -0.177 0.000 0.925 255 D HN 0.099 nan 8.370 nan 0.000 0.485 256 N N -0.782 117.958 118.700 0.066 0.000 2.515 256 N HA -0.058 4.681 4.740 -0.001 0.000 0.191 256 N C 0.147 175.682 175.510 0.041 0.000 1.182 256 N CA 0.202 53.235 53.050 -0.028 0.000 0.879 256 N CB -0.120 38.277 38.487 -0.150 0.000 0.984 256 N HN 0.289 nan 8.380 nan 0.000 0.453 257 Y N -0.745 119.703 120.300 0.245 0.000 2.524 257 Y HA 0.368 4.917 4.550 -0.001 0.000 0.266 257 Y C -0.065 176.019 175.900 0.306 0.000 1.180 257 Y CA -0.255 58.059 58.100 0.357 0.000 1.244 257 Y CB 0.567 39.170 38.460 0.238 0.000 1.125 257 Y HN -0.070 nan 8.280 nan 0.000 0.524 258 I N 1.515 122.206 120.570 0.201 0.000 2.406 258 I HA 0.316 4.486 4.170 -0.001 0.000 0.290 258 I C -2.533 173.345 176.117 -0.397 0.000 0.999 258 I CA -2.575 58.673 61.300 -0.087 0.000 1.124 258 I CB 1.773 39.760 38.000 -0.022 0.000 1.289 258 I HN -0.200 nan 8.210 nan 0.000 0.441 259 P HA -0.002 nan 4.420 nan 0.000 0.266 259 P C 0.224 177.239 177.300 -0.474 0.000 1.195 259 P CA -0.060 62.511 63.100 -0.882 0.000 0.768 259 P CB 0.472 31.724 31.700 -0.747 0.000 0.838 260 G N 2.257 110.694 108.800 -0.604 0.000 2.321 260 G HA2 0.045 4.005 3.960 -0.001 0.000 0.237 260 G HA3 0.045 4.005 3.960 -0.001 0.000 0.237 260 G C -0.112 174.556 174.900 -0.386 0.000 1.282 260 G CA 0.113 44.785 45.100 -0.714 0.000 0.886 260 G HN 0.510 nan 8.290 nan 0.000 0.528 261 N N 2.501 121.018 118.700 -0.305 0.000 2.540 261 N HA 0.351 5.091 4.740 -0.001 0.000 0.275 261 N C -1.979 173.423 175.510 -0.180 0.000 1.053 261 N CA -2.279 50.675 53.050 -0.160 0.000 0.876 261 N CB 2.456 40.928 38.487 -0.026 0.000 1.284 261 N HN 0.013 nan 8.380 nan 0.000 0.518 262 P HA 0.018 nan 4.420 nan 0.000 0.225 262 P C 0.885 178.306 177.300 0.203 0.000 1.148 262 P CA 0.916 63.840 63.100 -0.294 0.000 0.779 262 P CB 0.422 32.000 31.700 -0.204 0.000 0.780 263 L N -2.569 118.743 121.223 0.149 0.000 2.554 263 L HA 0.160 4.499 4.340 -0.001 0.000 0.225 263 L C 0.249 177.182 176.870 0.106 0.000 1.104 263 L CA 0.078 54.996 54.840 0.131 0.000 0.866 263 L CB 0.413 42.503 42.059 0.051 0.000 1.047 263 L HN -0.268 nan 8.230 nan 0.000 0.468 264 V N -0.439 119.567 119.914 0.153 0.000 2.569 264 V HA 0.264 4.383 4.120 -0.001 0.000 0.301 264 V C -0.386 175.631 176.094 -0.128 0.000 1.044 264 V CA -0.419 61.881 62.300 0.000 0.000 0.874 264 V CB 1.979 33.806 31.823 0.007 0.000 1.002 264 V HN -0.018 nan 8.190 nan 0.000 0.424 265 T N 6.850 121.075 114.554 -0.548 0.000 2.743 265 T HA 0.451 4.801 4.350 -0.001 0.000 0.292 265 T C -2.436 172.038 174.700 -0.376 0.000 0.972 265 T CA -1.018 60.505 62.100 -0.963 0.000 0.967 265 T CB 1.350 69.508 68.868 -1.183 0.000 0.926 265 T HN 0.425 nan 8.240 nan 0.000 0.459 266 P HA 0.242 nan 4.420 nan 0.000 0.268 266 P C 0.570 177.846 177.300 -0.041 0.000 1.205 266 P CA -0.331 62.730 63.100 -0.066 0.000 0.771 266 P CB 0.526 32.226 31.700 0.000 0.000 0.858 267 A N 2.479 125.302 122.820 0.004 0.000 2.019 267 A HA -0.137 4.182 4.320 -0.001 0.000 0.219 267 A C 1.773 179.428 177.584 0.118 0.000 1.164 267 A CA 1.817 53.885 52.037 0.051 0.000 0.644 267 A CB -1.238 17.796 19.000 0.057 0.000 0.805 267 A HN 0.589 nan 8.150 nan 0.000 0.449 268 S N -0.642 115.133 115.700 0.125 0.000 2.754 268 S HA 0.230 4.700 4.470 -0.001 0.000 0.223 268 S C 0.493 175.231 174.600 0.229 0.000 0.951 268 S CA -0.358 57.953 58.200 0.185 0.000 0.954 268 S CB -0.841 62.489 63.200 0.216 0.000 0.780 268 S HN 0.513 nan 8.310 nan 0.000 0.509 269 I N 2.300 122.943 120.570 0.122 0.000 2.668 269 I HA 0.168 4.338 4.170 -0.001 0.000 0.285 269 I C -1.112 175.073 176.117 0.113 0.000 1.168 269 I CA 0.189 61.540 61.300 0.085 0.000 1.424 269 I CB 0.462 38.481 38.000 0.031 0.000 1.377 269 I HN 0.062 nan 8.210 nan 0.000 0.560 270 V N 7.597 127.602 119.914 0.152 0.000 2.851 270 V HA 0.385 4.505 4.120 -0.001 0.000 0.307 270 V C -2.294 173.755 176.094 -0.075 0.000 1.129 270 V CA -1.249 61.061 62.300 0.017 0.000 0.932 270 V CB 1.748 33.608 31.823 0.062 0.000 1.024 270 V HN 0.679 nan 8.190 nan 0.000 0.426 271 P HA 0.288 nan 4.420 nan 0.000 0.272 271 P C -0.535 176.549 177.300 -0.359 0.000 1.240 271 P CA -0.439 62.423 63.100 -0.397 0.000 0.791 271 P CB 0.474 31.789 31.700 -0.643 0.000 0.978 272 E N 1.074 120.955 120.200 -0.531 0.000 2.442 272 E HA -0.100 4.250 4.350 -0.001 0.000 0.262 272 E C 1.159 177.310 176.600 -0.748 0.000 1.004 272 E CA 0.114 56.067 56.400 -0.746 0.000 0.928 272 E CB -0.058 28.878 29.700 -1.273 0.000 0.937 272 E HN 0.559 nan 8.360 nan 0.000 0.446 273 W N 3.986 124.978 121.300 -0.512 0.000 2.321 273 W HA -0.346 4.314 4.660 -0.001 0.000 0.306 273 W C 1.103 177.488 176.519 -0.223 0.000 1.217 273 W CA 1.398 58.564 57.345 -0.298 0.000 1.257 273 W CB -1.007 28.378 29.460 -0.126 0.000 1.145 273 W HN 0.761 nan 8.180 nan 0.000 0.509 274 Y N 0.194 119.784 120.300 -1.183 0.000 2.574 274 Y HA 0.117 4.667 4.550 -0.001 0.000 0.294 274 Y C 2.202 177.926 175.900 -0.293 0.000 1.142 274 Y CA 0.884 58.439 58.100 -0.909 0.000 1.314 274 Y CB -1.426 36.146 38.460 -1.480 0.000 0.991 274 Y HN -0.060 nan 8.280 nan 0.000 0.555 275 L N -0.307 120.701 121.223 -0.358 0.000 2.616 275 L HA 0.127 4.467 4.340 -0.001 0.000 0.229 275 L C 1.899 178.742 176.870 -0.045 0.000 1.110 275 L CA -0.014 54.775 54.840 -0.086 0.000 0.884 275 L CB -0.173 41.731 42.059 -0.259 0.000 1.115 275 L HN 0.258 nan 8.230 nan 0.000 0.481 276 L N 0.681 121.816 121.223 -0.146 0.000 2.043 276 L HA -0.175 4.165 4.340 -0.001 0.000 0.212 276 L C -0.201 176.567 176.870 -0.170 0.000 1.075 276 L CA 1.727 56.508 54.840 -0.100 0.000 0.752 276 L CB -1.701 40.300 42.059 -0.096 0.000 0.891 276 L HN 0.240 nan 8.230 nan 0.000 0.432 277 P HA -0.166 nan 4.420 nan 0.000 0.216 277 P C 1.450 178.372 177.300 -0.629 0.000 1.153 277 P CA 1.526 64.168 63.100 -0.764 0.000 0.848 277 P CB -0.029 30.742 31.700 -1.547 0.000 0.787 278 F N -2.915 116.934 119.950 -0.167 0.000 2.259 278 F HA -0.118 4.408 4.527 -0.001 0.000 0.298 278 F C 2.443 178.192 175.800 -0.084 0.000 1.088 278 F CA 0.784 58.704 58.000 -0.133 0.000 1.358 278 F CB -1.251 37.686 39.000 -0.106 0.000 1.040 278 F HN -0.104 nan 8.300 nan 0.000 0.505 279 Y N 1.261 121.527 120.300 -0.056 0.000 2.181 279 Y HA -0.180 4.369 4.550 -0.001 0.000 0.288 279 Y C 2.350 178.193 175.900 -0.094 0.000 1.146 279 Y CA 0.968 59.020 58.100 -0.080 0.000 1.164 279 Y CB -0.802 37.600 38.460 -0.098 0.000 0.982 279 Y HN -0.018 nan 8.280 nan 0.000 0.515 280 A N 0.407 123.136 122.820 -0.152 0.000 1.933 280 A HA -0.151 4.169 4.320 -0.001 0.000 0.218 280 A C 2.351 179.823 177.584 -0.187 0.000 1.175 280 A CA 1.872 53.767 52.037 -0.237 0.000 0.628 280 A CB -1.120 17.764 19.000 -0.195 0.000 0.814 280 A HN 0.567 nan 8.150 nan 0.000 0.444 281 I N -0.740 119.739 120.570 -0.152 0.000 2.226 281 I HA -0.250 3.919 4.170 -0.001 0.000 0.245 281 I C 2.523 178.618 176.117 -0.035 0.000 1.100 281 I CA 1.485 62.743 61.300 -0.070 0.000 1.374 281 I CB -0.277 37.679 38.000 -0.072 0.000 1.057 281 I HN 0.448 nan 8.210 nan 0.000 0.413 282 L N 0.777 121.961 121.223 -0.064 0.000 2.017 282 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 282 L C 2.757 179.564 176.870 -0.104 0.000 1.073 282 L CA 1.607 56.409 54.840 -0.063 0.000 0.745 282 L CB -0.321 41.700 42.059 -0.064 0.000 0.894 282 L HN 0.087 nan 8.230 nan 0.000 0.432 283 R N -0.768 119.606 120.500 -0.209 0.000 2.193 283 R HA -0.082 4.258 4.340 -0.001 0.000 0.229 283 R C 2.134 178.367 176.300 -0.111 0.000 1.110 283 R CA 1.203 57.176 56.100 -0.211 0.000 0.988 283 R CB -0.273 29.806 30.300 -0.368 0.000 0.871 283 R HN 0.405 nan 8.270 nan 0.000 0.458 284 S N 0.335 115.988 115.700 -0.078 0.000 2.481 284 S HA 0.049 4.519 4.470 -0.001 0.000 0.231 284 S C 0.729 175.328 174.600 -0.002 0.000 0.996 284 S CA 0.531 58.717 58.200 -0.024 0.000 0.942 284 S CB 0.148 63.352 63.200 0.008 0.000 0.768 284 S HN 0.102 nan 8.310 nan 0.000 0.520 285 I N 3.329 123.894 120.570 -0.009 0.000 2.328 285 I HA 0.260 4.430 4.170 -0.001 0.000 0.287 285 I C -2.314 173.798 176.117 -0.008 0.000 1.012 285 I CA -2.873 58.428 61.300 0.001 0.000 1.195 285 I CB 0.725 38.730 38.000 0.007 0.000 1.350 285 I HN -0.111 nan 8.210 nan 0.000 0.464 286 P HA 0.218 nan 4.420 nan 0.000 0.225 286 P C -0.692 176.606 177.300 -0.003 0.000 1.768 286 P CA 0.298 63.395 63.100 -0.005 0.000 0.943 286 P CB 0.025 31.723 31.700 -0.002 0.000 1.936 287 D N -0.455 119.943 120.400 -0.003 0.000 2.812 287 D HA 0.064 4.704 4.640 -0.001 0.000 0.210 287 D C 0.889 177.188 176.300 -0.001 0.000 1.260 287 D CA -0.621 53.377 54.000 -0.002 0.000 0.817 287 D CB 1.540 42.337 40.800 -0.004 0.000 1.694 287 D HN -0.206 nan 8.370 nan 0.000 0.530 288 K N 2.585 122.985 120.400 0.001 0.000 1.978 288 K HA -0.163 4.156 4.320 -0.001 0.000 0.214 288 K C 1.725 178.326 176.600 0.002 0.000 1.049 288 K CA 1.447 57.736 56.287 0.004 0.000 0.939 288 K CB -0.156 32.349 32.500 0.008 0.000 0.721 288 K HN 0.425 nan 8.250 nan 0.000 0.441 289 L N 1.494 122.713 121.223 -0.006 0.000 2.017 289 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 289 L C 2.062 178.934 176.870 0.003 0.000 1.073 289 L CA 1.605 56.440 54.840 -0.008 0.000 0.745 289 L CB -0.412 41.633 42.059 -0.023 0.000 0.894 289 L HN 0.302 nan 8.230 nan 0.000 0.432 290 L N -0.904 120.319 121.223 -0.000 0.000 2.141 290 L HA -0.070 4.270 4.340 -0.001 0.000 0.209 290 L C 2.482 179.361 176.870 0.015 0.000 1.094 290 L CA 0.954 55.796 54.840 0.003 0.000 0.763 290 L CB -1.289 40.767 42.059 -0.005 0.000 0.908 290 L HN 0.465 nan 8.230 nan 0.000 0.437 291 G N -0.277 108.530 108.800 0.012 0.000 2.402 291 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.216 291 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.216 291 G C 1.588 176.505 174.900 0.028 0.000 1.162 291 G CA 0.813 45.921 45.100 0.013 0.000 0.777 291 G HN 0.165 nan 8.290 nan 0.000 0.539 292 V N 1.193 121.130 119.914 0.038 0.000 2.307 292 V HA -0.132 3.988 4.120 -0.001 0.000 0.245 292 V C 2.783 178.992 176.094 0.192 0.000 1.045 292 V CA 1.482 63.834 62.300 0.085 0.000 1.024 292 V CB -0.427 31.440 31.823 0.073 0.000 0.651 292 V HN 0.373 nan 8.190 nan 0.000 0.449 293 I N 0.113 120.762 120.570 0.131 0.000 2.208 293 I HA -0.267 3.903 4.170 -0.001 0.000 0.245 293 I C 2.547 178.760 176.117 0.159 0.000 1.097 293 I CA 1.975 63.358 61.300 0.137 0.000 1.363 293 I CB -0.651 37.380 38.000 0.052 0.000 1.051 293 I HN 0.339 nan 8.210 nan 0.000 0.413 294 T N 0.673 115.292 114.554 0.108 0.000 2.746 294 T HA -0.238 4.111 4.350 -0.001 0.000 0.267 294 T C 1.855 176.713 174.700 0.264 0.000 1.039 294 T CA 1.583 63.760 62.100 0.127 0.000 1.142 294 T CB -0.228 68.680 68.868 0.066 0.000 0.866 294 T HN 0.364 nan 8.240 nan 0.000 0.444 295 M N 0.073 119.764 119.600 0.152 0.000 2.086 295 M HA -0.067 4.413 4.480 -0.001 0.000 0.261 295 M C 1.781 178.109 176.300 0.046 0.000 1.067 295 M CA 1.828 57.173 55.300 0.075 0.000 1.116 295 M CB -0.314 32.228 32.600 -0.097 0.000 1.348 295 M HN 0.215 nan 8.290 nan 0.000 0.407 296 F N 0.501 120.493 119.950 0.071 0.000 2.171 296 F HA -0.138 4.389 4.527 -0.001 0.000 0.300 296 F C 2.573 178.446 175.800 0.121 0.000 1.090 296 F CA 1.302 59.327 58.000 0.041 0.000 1.293 296 F CB -0.634 38.361 39.000 -0.008 0.000 1.013 296 F HN 0.292 nan 8.300 nan 0.000 0.486 297 A N -0.077 122.960 122.820 0.361 0.000 2.019 297 A HA -0.063 4.257 4.320 -0.001 0.000 0.219 297 A C 2.332 180.223 177.584 0.512 0.000 1.164 297 A CA 1.411 53.677 52.037 0.381 0.000 0.644 297 A CB -1.102 18.089 19.000 0.319 0.000 0.805 297 A HN 0.307 nan 8.150 nan 0.000 0.449 298 A N -0.269 122.848 122.820 0.494 0.000 2.019 298 A HA -0.010 4.309 4.320 -0.001 0.000 0.219 298 A C 2.016 179.832 177.584 0.386 0.000 1.164 298 A CA 1.454 53.675 52.037 0.307 0.000 0.644 298 A CB -0.456 18.595 19.000 0.085 0.000 0.805 298 A HN 0.532 nan 8.150 nan 0.000 0.449 299 I N -0.907 119.843 120.570 0.300 0.000 2.429 299 I HA -0.095 4.074 4.170 -0.001 0.000 0.247 299 I C 2.113 178.329 176.117 0.166 0.000 1.099 299 I CA 0.564 62.017 61.300 0.254 0.000 1.422 299 I CB -0.287 37.806 38.000 0.155 0.000 1.112 299 I HN 0.208 nan 8.210 nan 0.000 0.430 300 L N 0.260 121.586 121.223 0.171 0.000 2.191 300 L HA -0.165 4.175 4.340 -0.001 0.000 0.212 300 L C 2.585 179.498 176.870 0.072 0.000 1.103 300 L CA 0.688 55.601 54.840 0.123 0.000 0.769 300 L CB -0.534 41.607 42.059 0.136 0.000 0.908 300 L HN 0.155 nan 8.230 nan 0.000 0.438 301 V N 0.141 120.090 119.914 0.057 0.000 2.867 301 V HA -0.241 3.878 4.120 -0.001 0.000 0.260 301 V C 2.331 178.205 176.094 -0.368 0.000 1.099 301 V CA 1.116 63.357 62.300 -0.098 0.000 1.122 301 V CB -0.077 31.711 31.823 -0.058 0.000 0.708 301 V HN 0.270 nan 8.190 nan 0.000 0.490 302 L N -0.503 120.548 121.223 -0.287 0.000 2.187 302 L HA -0.120 4.220 4.340 -0.001 0.000 0.213 302 L C 2.159 179.159 176.870 0.216 0.000 1.100 302 L CA 1.859 56.620 54.840 -0.131 0.000 0.765 302 L CB -0.864 41.193 42.059 -0.002 0.000 0.904 302 L HN 0.317 nan 8.230 nan 0.000 0.437 303 L N -1.132 120.192 121.223 0.168 0.000 2.362 303 L HA -0.102 4.237 4.340 -0.001 0.000 0.219 303 L C 2.229 179.275 176.870 0.294 0.000 1.134 303 L CA 0.567 55.575 54.840 0.281 0.000 0.807 303 L CB -0.595 41.580 42.059 0.194 0.000 0.927 303 L HN 0.278 nan 8.230 nan 0.000 0.447 304 V N -3.976 116.038 119.914 0.167 0.000 3.129 304 V HA -0.074 4.045 4.120 -0.001 0.000 0.259 304 V C 2.237 178.450 176.094 0.199 0.000 1.116 304 V CA 0.477 62.920 62.300 0.237 0.000 1.127 304 V CB -0.223 31.663 31.823 0.105 0.000 0.742 304 V HN 0.212 nan 8.190 nan 0.000 0.474 305 L N 1.352 122.560 121.223 -0.025 0.000 2.051 305 L HA -0.021 4.319 4.340 -0.001 0.000 0.214 305 L C -0.009 176.691 176.870 -0.284 0.000 1.076 305 L CA 2.516 57.167 54.840 -0.315 0.000 0.758 305 L CB -1.744 39.833 42.059 -0.804 0.000 0.890 305 L HN 0.323 nan 8.230 nan 0.000 0.433 306 P HA -0.123 nan 4.420 nan 0.000 0.222 306 P C 1.191 178.232 177.300 -0.432 0.000 1.147 306 P CA 1.436 64.366 63.100 -0.284 0.000 0.790 306 P CB -0.034 31.347 31.700 -0.533 0.000 0.780 307 F N -1.350 118.595 119.950 -0.009 0.000 2.530 307 F HA 0.025 4.551 4.527 -0.001 0.000 0.292 307 F C 2.227 178.010 175.800 -0.028 0.000 1.109 307 F CA 1.244 59.237 58.000 -0.011 0.000 1.450 307 F CB -1.538 37.459 39.000 -0.004 0.000 1.114 307 F HN -0.094 nan 8.300 nan 0.000 0.560 308 T N -3.374 111.243 114.554 0.106 0.000 3.067 308 T HA -0.032 4.318 4.350 -0.001 0.000 0.257 308 T C 0.610 175.284 174.700 -0.043 0.000 1.105 308 T CA 0.148 62.259 62.100 0.019 0.000 1.104 308 T CB -0.338 68.525 68.868 -0.010 0.000 0.925 308 T HN -0.038 nan 8.240 nan 0.000 0.498 309 D N 1.668 122.043 120.400 -0.043 0.000 2.374 309 D HA 0.154 4.794 4.640 -0.001 0.000 0.240 309 D C 0.895 177.180 176.300 -0.026 0.000 1.229 309 D CA -0.480 53.499 54.000 -0.035 0.000 0.895 309 D CB 0.644 41.483 40.800 0.064 0.000 1.046 309 D HN 0.027 nan 8.370 nan 0.000 0.498 310 R N 2.038 122.520 120.500 -0.031 0.000 2.317 310 R HA 0.052 4.392 4.340 -0.001 0.000 0.208 310 R C 0.808 177.100 176.300 -0.013 0.000 0.914 310 R CA -0.129 55.959 56.100 -0.020 0.000 1.060 310 R CB -0.467 29.823 30.300 -0.018 0.000 1.015 310 R HN 0.291 nan 8.270 nan 0.000 0.498 311 S N 0.267 115.960 115.700 -0.010 0.000 2.566 311 S HA 0.008 4.477 4.470 -0.001 0.000 0.280 311 S C 1.206 175.800 174.600 -0.010 0.000 1.343 311 S CA -0.176 58.031 58.200 0.011 0.000 1.036 311 S CB 1.109 64.322 63.200 0.020 0.000 0.866 311 S HN 0.043 nan 8.310 nan 0.000 0.526 312 V N 4.620 124.536 119.914 0.002 0.000 3.608 312 V HA 0.254 4.374 4.120 -0.001 0.000 0.269 312 V C 0.319 176.379 176.094 -0.056 0.000 1.245 312 V CA 0.900 63.183 62.300 -0.029 0.000 1.138 312 V CB 0.405 32.216 31.823 -0.019 0.000 0.841 312 V HN 0.699 nan 8.190 nan 0.000 0.451 313 V N -0.111 119.773 119.914 -0.050 0.000 2.769 313 V HA 0.617 4.736 4.120 -0.001 0.000 0.312 313 V C -0.259 175.802 176.094 -0.054 0.000 1.061 313 V CA -1.054 61.210 62.300 -0.060 0.000 0.931 313 V CB 1.769 33.544 31.823 -0.081 0.000 1.010 313 V HN 0.361 nan 8.190 nan 0.000 0.433 314 R N 3.478 123.939 120.500 -0.064 0.000 2.265 314 R HA 0.647 4.987 4.340 -0.001 0.000 0.314 314 R C 0.328 176.584 176.300 -0.073 0.000 1.053 314 R CA 0.936 56.972 56.100 -0.108 0.000 0.931 314 R CB 0.551 30.778 30.300 -0.123 0.000 1.024 314 R HN 2.172 nan 8.270 nan 0.000 0.457 315 G N 2.910 111.626 108.800 -0.139 0.000 2.699 315 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.686 315 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.686 315 G C -0.375 174.378 174.900 -0.246 0.000 1.301 315 G CA -0.461 44.540 45.100 -0.165 0.000 0.816 315 G HN 0.671 nan 8.290 nan 0.000 0.595 316 N N -0.488 117.886 118.700 -0.544 0.000 2.299 316 N HA 0.051 4.790 4.740 -0.001 0.000 0.187 316 N C 2.358 177.596 175.510 -0.454 0.000 1.099 316 N CA 1.141 53.817 53.050 -0.623 0.000 0.867 316 N CB -0.030 37.725 38.487 -1.221 0.000 0.974 316 N HN 0.619 nan 8.380 nan 0.000 0.477 317 T N 0.181 114.505 114.554 -0.383 0.000 2.685 317 T HA -0.144 4.205 4.350 -0.001 0.000 0.268 317 T C 0.901 175.374 174.700 -0.378 0.000 1.034 317 T CA 1.315 63.203 62.100 -0.353 0.000 1.149 317 T CB -0.307 68.234 68.868 -0.545 0.000 0.860 317 T HN 0.308 nan 8.240 nan 0.000 0.449 318 F N 0.828 120.839 119.950 0.103 0.000 2.750 318 F HA 0.368 4.894 4.527 -0.001 0.000 0.297 318 F C 0.448 176.389 175.800 0.235 0.000 1.138 318 F CA -0.577 57.523 58.000 0.168 0.000 1.346 318 F CB 0.223 39.321 39.000 0.162 0.000 0.965 318 F HN -0.219 nan 8.300 nan 0.000 0.514 319 K N 0.544 121.080 120.400 0.227 0.000 2.521 319 K HA 0.331 4.650 4.320 -0.001 0.000 0.248 319 K C 0.654 177.320 176.600 0.110 0.000 0.978 319 K CA -0.329 56.058 56.287 0.168 0.000 0.947 319 K CB 2.371 34.945 32.500 0.123 0.000 1.165 319 K HN -0.062 nan 8.250 nan 0.000 0.445 320 V N 2.583 122.557 119.914 0.100 0.000 2.231 320 V HA -0.303 3.816 4.120 -0.001 0.000 0.248 320 V C 1.848 178.034 176.094 0.153 0.000 1.054 320 V CA 1.784 64.150 62.300 0.109 0.000 1.015 320 V CB -0.361 31.495 31.823 0.055 0.000 0.638 320 V HN 0.628 nan 8.190 nan 0.000 0.444 321 L N 0.051 121.357 121.223 0.138 0.000 2.017 321 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 321 L C 2.633 179.738 176.870 0.392 0.000 1.073 321 L CA 2.008 57.005 54.840 0.261 0.000 0.745 321 L CB -1.190 41.003 42.059 0.224 0.000 0.894 321 L HN 0.244 nan 8.230 nan 0.000 0.432 322 S N -0.763 115.079 115.700 0.236 0.000 2.382 322 S HA -0.204 4.266 4.470 -0.001 0.000 0.228 322 S C 1.954 176.670 174.600 0.193 0.000 1.027 322 S CA 1.247 59.563 58.200 0.192 0.000 0.991 322 S CB -0.169 63.047 63.200 0.027 0.000 0.823 322 S HN 0.391 nan 8.310 nan 0.000 0.469 323 K N 0.272 120.764 120.400 0.154 0.000 2.057 323 K HA -0.060 4.260 4.320 -0.001 0.000 0.207 323 K C 1.822 178.682 176.600 0.432 0.000 1.049 323 K CA 1.361 57.783 56.287 0.225 0.000 0.931 323 K CB -0.313 32.349 32.500 0.269 0.000 0.714 323 K HN 0.339 nan 8.250 nan 0.000 0.440 324 F N 0.630 120.715 119.950 0.224 0.000 2.069 324 F HA -0.210 4.317 4.527 -0.001 0.000 0.298 324 F C 1.714 177.547 175.800 0.055 0.000 1.113 324 F CA 1.538 59.602 58.000 0.107 0.000 1.214 324 F CB -0.191 38.732 39.000 -0.127 0.000 0.978 324 F HN -0.095 nan 8.300 nan 0.000 0.474 325 F N -0.914 119.206 119.950 0.283 0.000 2.293 325 F HA -0.134 4.393 4.527 -0.001 0.000 0.300 325 F C 2.161 178.001 175.800 0.067 0.000 1.086 325 F CA 1.163 59.265 58.000 0.171 0.000 1.375 325 F CB -0.834 38.345 39.000 0.297 0.000 1.045 325 F HN 0.101 nan 8.300 nan 0.000 0.516 326 F N 0.028 120.014 119.950 0.061 0.000 2.102 326 F HA -0.228 4.298 4.527 -0.001 0.000 0.298 326 F C 1.894 177.457 175.800 -0.395 0.000 1.105 326 F CA 1.612 59.464 58.000 -0.247 0.000 1.239 326 F CB -0.764 38.018 39.000 -0.362 0.000 0.991 326 F HN -0.105 nan 8.300 nan 0.000 0.474 327 F N -0.045 119.885 119.950 -0.034 0.000 2.293 327 F HA -0.165 4.361 4.527 -0.001 0.000 0.300 327 F C 2.253 177.910 175.800 -0.239 0.000 1.086 327 F CA 0.325 58.207 58.000 -0.196 0.000 1.375 327 F CB -0.367 38.664 39.000 0.052 0.000 1.045 327 F HN -0.003 nan 8.300 nan 0.000 0.516 328 I N -0.684 119.801 120.570 -0.141 0.000 2.252 328 I HA -0.304 3.865 4.170 -0.001 0.000 0.245 328 I C 2.396 178.405 176.117 -0.179 0.000 1.102 328 I CA 1.545 62.763 61.300 -0.137 0.000 1.385 328 I CB -1.122 36.793 38.000 -0.142 0.000 1.064 328 I HN 0.142 nan 8.210 nan 0.000 0.414 329 F N 1.517 121.151 119.950 -0.526 0.000 2.102 329 F HA -0.200 4.327 4.527 -0.001 0.000 0.298 329 F C 2.444 177.865 175.800 -0.631 0.000 1.105 329 F CA 1.527 59.071 58.000 -0.761 0.000 1.239 329 F CB -0.345 37.717 39.000 -1.564 0.000 0.991 329 F HN -0.209 nan 8.300 nan 0.000 0.474 330 V N 0.246 119.742 119.914 -0.698 0.000 2.255 330 V HA -0.338 3.781 4.120 -0.001 0.000 0.247 330 V C 2.268 178.032 176.094 -0.551 0.000 1.051 330 V CA 2.382 64.248 62.300 -0.724 0.000 1.018 330 V CB -0.976 30.319 31.823 -0.881 0.000 0.641 330 V HN 0.346 nan 8.190 nan 0.000 0.445 331 F N 0.317 120.151 119.950 -0.194 0.000 2.269 331 F HA -0.138 4.389 4.527 -0.001 0.000 0.301 331 F C 2.453 178.153 175.800 -0.167 0.000 1.082 331 F CA 1.536 59.456 58.000 -0.133 0.000 1.360 331 F CB -0.455 38.490 39.000 -0.092 0.000 1.041 331 F HN 0.212 nan 8.300 nan 0.000 0.512 332 N N 0.400 119.033 118.700 -0.112 0.000 2.188 332 N HA -0.229 4.511 4.740 -0.001 0.000 0.184 332 N C 1.985 177.377 175.510 -0.197 0.000 1.018 332 N CA 1.022 53.984 53.050 -0.146 0.000 0.858 332 N CB -0.263 38.103 38.487 -0.201 0.000 0.989 332 N HN 0.338 nan 8.380 nan 0.000 0.426 333 F N 1.351 120.995 119.950 -0.511 0.000 2.146 333 F HA -0.111 4.416 4.527 -0.001 0.000 0.298 333 F C 2.231 177.828 175.800 -0.338 0.000 1.096 333 F CA 0.799 58.500 58.000 -0.499 0.000 1.275 333 F CB -0.056 38.552 39.000 -0.654 0.000 1.008 333 F HN -0.181 nan 8.300 nan 0.000 0.480 334 V N 0.806 120.621 119.914 -0.165 0.000 2.343 334 V HA -0.294 3.825 4.120 -0.001 0.000 0.247 334 V C 2.401 178.395 176.094 -0.166 0.000 1.051 334 V CA 1.615 63.825 62.300 -0.151 0.000 1.036 334 V CB -0.731 31.097 31.823 0.008 0.000 0.654 334 V HN 0.423 nan 8.190 nan 0.000 0.451 335 L N -0.421 120.730 121.223 -0.119 0.000 2.046 335 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 335 L C 2.442 179.211 176.870 -0.168 0.000 1.077 335 L CA 2.080 56.856 54.840 -0.106 0.000 0.747 335 L CB -0.708 41.318 42.059 -0.055 0.000 0.896 335 L HN 0.268 nan 8.230 nan 0.000 0.432 336 L N 0.681 121.760 121.223 -0.240 0.000 2.042 336 L HA -0.128 4.212 4.340 -0.001 0.000 0.210 336 L C 2.693 179.371 176.870 -0.320 0.000 1.076 336 L CA 2.021 56.685 54.840 -0.294 0.000 0.749 336 L CB -1.780 40.027 42.059 -0.421 0.000 0.893 336 L HN 0.329 nan 8.230 nan 0.000 0.432 337 G N -1.800 106.765 108.800 -0.391 0.000 2.418 337 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.217 337 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.217 337 G C 1.515 176.310 174.900 -0.176 0.000 1.158 337 G CA 0.842 45.763 45.100 -0.299 0.000 0.771 337 G HN 0.418 nan 8.290 nan 0.000 0.545 338 Q N 0.221 119.922 119.800 -0.166 0.000 2.084 338 Q HA -0.042 4.298 4.340 -0.001 0.000 0.202 338 Q C 2.417 178.300 176.000 -0.194 0.000 0.978 338 Q CA 1.013 56.726 55.803 -0.150 0.000 0.844 338 Q CB -0.306 28.354 28.738 -0.130 0.000 0.898 338 Q HN 0.383 nan 8.270 nan 0.000 0.426 339 I N 0.011 120.465 120.570 -0.193 0.000 2.286 339 I HA -0.134 4.035 4.170 -0.001 0.000 0.248 339 I C 2.150 178.169 176.117 -0.163 0.000 1.115 339 I CA 1.567 62.742 61.300 -0.209 0.000 1.392 339 I CB -1.761 36.158 38.000 -0.134 0.000 1.065 339 I HN 0.400 nan 8.210 nan 0.000 0.418 340 G N 0.503 109.239 108.800 -0.108 0.000 2.448 340 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.219 340 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.219 340 G C 1.671 176.618 174.900 0.079 0.000 1.127 340 G CA 0.773 45.898 45.100 0.042 0.000 0.766 340 G HN 0.497 nan 8.290 nan 0.000 0.552 341 A N -1.011 121.775 122.820 -0.056 0.000 2.208 341 A HA 0.352 4.671 4.320 -0.001 0.000 0.209 341 A C 1.084 178.576 177.584 -0.152 0.000 1.161 341 A CA 0.216 52.200 52.037 -0.088 0.000 0.782 341 A CB -0.296 18.645 19.000 -0.097 0.000 0.816 341 A HN 0.347 nan 8.150 nan 0.000 0.477 342 C N -0.313 118.868 119.300 -0.198 0.000 2.325 342 C HA 0.502 4.961 4.460 -0.001 0.000 0.370 342 C C 0.614 175.524 174.990 -0.134 0.000 1.217 342 C CA -0.985 57.892 59.018 -0.234 0.000 2.254 342 C CB 0.315 27.713 27.740 -0.569 0.000 2.282 342 C HN 0.586 nan 8.230 nan 0.000 0.564 343 H N -0.257 118.850 119.070 0.061 0.000 2.546 343 H HA 0.186 4.742 4.556 -0.001 0.000 0.365 343 H C -0.362 175.044 175.328 0.129 0.000 1.220 343 H CA 0.032 56.140 56.048 0.100 0.000 1.386 343 H CB 0.681 30.506 29.762 0.104 0.000 1.510 343 H HN 0.334 nan 8.280 nan 0.000 0.591 344 V N 3.079 123.120 119.914 0.211 0.000 2.341 344 V HA 0.060 4.180 4.120 -0.001 0.000 0.248 344 V C 0.222 176.397 176.094 0.135 0.000 1.107 344 V CA 0.575 62.953 62.300 0.130 0.000 1.069 344 V CB -1.042 30.822 31.823 0.068 0.000 1.177 344 V HN 0.663 nan 8.190 nan 0.000 0.492 345 E N 2.197 122.493 120.200 0.161 0.000 2.433 345 E HA 0.503 4.853 4.350 -0.001 0.000 0.278 345 E C -1.296 175.282 176.600 -0.038 0.000 0.976 345 E CA -0.999 55.439 56.400 0.063 0.000 0.793 345 E CB 2.547 32.288 29.700 0.069 0.000 1.311 345 E HN 0.242 nan 8.360 nan 0.000 0.460 346 V N 2.876 122.726 119.914 -0.105 0.000 2.637 346 V HA 0.118 4.237 4.120 -0.001 0.000 0.296 346 V C -1.452 174.429 176.094 -0.355 0.000 1.046 346 V CA -0.514 61.692 62.300 -0.156 0.000 1.066 346 V CB 0.630 32.391 31.823 -0.104 0.000 0.968 346 V HN 0.695 nan 8.190 nan 0.000 0.483 347 P HA 0.158 nan 4.420 nan 0.000 0.269 347 P C 0.730 177.991 177.300 -0.065 0.000 1.478 347 P CA 0.052 63.044 63.100 -0.179 0.000 1.045 347 P CB 0.158 31.781 31.700 -0.130 0.000 1.512 348 Y N -0.138 120.163 120.300 0.002 0.000 2.274 348 Y HA -0.180 4.370 4.550 -0.001 0.000 0.290 348 Y C 2.500 178.393 175.900 -0.012 0.000 1.145 348 Y CA 0.228 58.326 58.100 -0.004 0.000 1.203 348 Y CB -0.683 37.779 38.460 0.003 0.000 0.984 348 Y HN -0.198 nan 8.280 nan 0.000 0.533 349 V N 0.322 120.310 119.914 0.125 0.000 2.295 349 V HA -0.317 3.802 4.120 -0.001 0.000 0.246 349 V C 2.253 178.375 176.094 0.046 0.000 1.049 349 V CA 1.627 63.965 62.300 0.062 0.000 1.024 349 V CB -0.652 31.190 31.823 0.032 0.000 0.648 349 V HN 0.429 nan 8.190 nan 0.000 0.447 350 L N -1.080 120.165 121.223 0.037 0.000 2.056 350 L HA -0.195 4.145 4.340 -0.001 0.000 0.207 350 L C 2.519 179.418 176.870 0.049 0.000 1.078 350 L CA 1.755 56.613 54.840 0.031 0.000 0.749 350 L CB -0.184 41.883 42.059 0.014 0.000 0.901 350 L HN 0.337 nan 8.230 nan 0.000 0.433 351 M N -1.102 118.538 119.600 0.067 0.000 2.108 351 M HA -0.173 4.307 4.480 -0.001 0.000 0.261 351 M C 2.152 178.489 176.300 0.062 0.000 1.066 351 M CA 1.927 57.273 55.300 0.076 0.000 1.107 351 M CB -0.875 31.793 32.600 0.114 0.000 1.356 351 M HN 0.347 nan 8.290 nan 0.000 0.406 352 G N -0.357 108.474 108.800 0.052 0.000 2.402 352 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.216 352 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.216 352 G C 1.396 176.322 174.900 0.044 0.000 1.162 352 G CA 0.495 45.607 45.100 0.019 0.000 0.777 352 G HN 0.483 nan 8.290 nan 0.000 0.539 353 Q N -0.286 119.549 119.800 0.058 0.000 2.119 353 Q HA 0.034 4.373 4.340 -0.001 0.000 0.201 353 Q C 2.577 178.662 176.000 0.141 0.000 0.972 353 Q CA 0.919 56.774 55.803 0.087 0.000 0.847 353 Q CB -0.154 28.618 28.738 0.058 0.000 0.903 353 Q HN 0.529 nan 8.270 nan 0.000 0.433 354 I N 0.375 121.017 120.570 0.120 0.000 2.286 354 I HA -0.223 3.947 4.170 -0.001 0.000 0.245 354 I C 2.385 178.635 176.117 0.222 0.000 1.104 354 I CA 0.846 62.244 61.300 0.163 0.000 1.397 354 I CB -0.372 37.692 38.000 0.107 0.000 1.072 354 I HN 0.145 nan 8.210 nan 0.000 0.417 355 A N 0.334 123.239 122.820 0.142 0.000 1.933 355 A HA -0.186 4.134 4.320 -0.001 0.000 0.218 355 A C 2.365 180.042 177.584 0.155 0.000 1.175 355 A CA 2.308 54.412 52.037 0.112 0.000 0.628 355 A CB -1.008 18.008 19.000 0.027 0.000 0.814 355 A HN 0.371 nan 8.150 nan 0.000 0.444 356 T N -0.912 113.746 114.554 0.174 0.000 2.746 356 T HA -0.113 4.237 4.350 -0.001 0.000 0.267 356 T C 1.587 176.543 174.700 0.427 0.000 1.039 356 T CA 1.527 63.772 62.100 0.242 0.000 1.142 356 T CB -0.370 68.629 68.868 0.218 0.000 0.866 356 T HN 0.521 nan 8.240 nan 0.000 0.444 357 F N 1.590 121.697 119.950 0.262 0.000 2.134 357 F HA 0.003 4.529 4.527 -0.001 0.000 0.299 357 F C 1.918 177.900 175.800 0.303 0.000 1.097 357 F CA 0.953 59.121 58.000 0.280 0.000 1.264 357 F CB -0.401 38.702 39.000 0.172 0.000 1.001 357 F HN 0.080 nan 8.300 nan 0.000 0.479 358 I N -0.815 119.909 120.570 0.257 0.000 2.286 358 I HA -0.323 3.847 4.170 -0.001 0.000 0.248 358 I C 2.256 178.455 176.117 0.136 0.000 1.115 358 I CA 1.576 62.966 61.300 0.150 0.000 1.392 358 I CB -0.709 37.409 38.000 0.198 0.000 1.065 358 I HN 0.252 nan 8.210 nan 0.000 0.418 359 Y N 1.232 121.564 120.300 0.053 0.000 2.097 359 Y HA -0.319 4.231 4.550 -0.001 0.000 0.282 359 Y C 2.252 178.267 175.900 0.191 0.000 1.152 359 Y CA 1.914 60.054 58.100 0.065 0.000 1.136 359 Y CB -0.434 37.971 38.460 -0.091 0.000 0.975 359 Y HN -0.037 nan 8.280 nan 0.000 0.498 360 F N -0.340 119.857 119.950 0.410 0.000 2.163 360 F HA -0.091 4.436 4.527 -0.001 0.000 0.297 360 F C 2.583 178.423 175.800 0.067 0.000 1.094 360 F CA 0.971 59.155 58.000 0.307 0.000 1.290 360 F CB -0.869 38.254 39.000 0.205 0.000 1.017 360 F HN 0.136 nan 8.300 nan 0.000 0.483 361 A N -0.634 122.162 122.820 -0.041 0.000 1.978 361 A HA -0.282 4.037 4.320 -0.001 0.000 0.220 361 A C 1.984 179.516 177.584 -0.087 0.000 1.170 361 A CA 1.565 53.467 52.037 -0.225 0.000 0.636 361 A CB -1.391 17.270 19.000 -0.566 0.000 0.810 361 A HN 0.519 nan 8.150 nan 0.000 0.448 362 Y N -0.269 119.917 120.300 -0.190 0.000 2.097 362 Y HA -0.260 4.289 4.550 -0.001 0.000 0.282 362 Y C 1.906 177.548 175.900 -0.430 0.000 1.152 362 Y CA 2.124 60.009 58.100 -0.359 0.000 1.136 362 Y CB -0.623 37.515 38.460 -0.536 0.000 0.975 362 Y HN 0.313 nan 8.280 nan 0.000 0.498 363 F N -0.700 119.097 119.950 -0.255 0.000 2.206 363 F HA -0.109 4.417 4.527 -0.001 0.000 0.298 363 F C 2.027 177.701 175.800 -0.210 0.000 1.090 363 F CA 1.082 58.893 58.000 -0.314 0.000 1.323 363 F CB -0.359 38.542 39.000 -0.164 0.000 1.028 363 F HN -0.019 nan 8.300 nan 0.000 0.492 364 L N -1.081 120.190 121.223 0.080 0.000 2.477 364 L HA 0.124 4.464 4.340 -0.001 0.000 0.220 364 L C 1.501 178.352 176.870 -0.032 0.000 1.106 364 L CA 0.573 55.436 54.840 0.038 0.000 0.851 364 L CB 0.006 42.119 42.059 0.090 0.000 0.994 364 L HN 0.174 nan 8.230 nan 0.000 0.462 365 I N -1.627 118.890 120.570 -0.089 0.000 3.814 365 I HA 0.004 4.173 4.170 -0.001 0.000 0.264 365 I C 1.991 178.005 176.117 -0.172 0.000 1.145 365 I CA 0.082 61.325 61.300 -0.095 0.000 1.375 365 I CB 0.300 38.268 38.000 -0.054 0.000 1.638 365 I HN -0.086 nan 8.210 nan 0.000 0.432 366 I N 1.163 121.587 120.570 -0.243 0.000 2.127 366 I HA -0.257 3.913 4.170 -0.001 0.000 0.241 366 I C 2.562 178.431 176.117 -0.413 0.000 1.075 366 I CA 1.473 62.551 61.300 -0.369 0.000 1.334 366 I CB -0.376 37.396 38.000 -0.380 0.000 1.040 366 I HN 0.050 nan 8.210 nan 0.000 0.405 367 V N 1.777 121.383 119.914 -0.513 0.000 2.261 367 V HA -0.154 3.965 4.120 -0.001 0.000 0.246 367 V C -0.198 175.744 176.094 -0.252 0.000 1.047 367 V CA 2.234 64.261 62.300 -0.456 0.000 1.015 367 V CB -2.119 29.351 31.823 -0.588 0.000 0.642 367 V HN 0.349 nan 8.190 nan 0.000 0.446 368 P HA -0.083 nan 4.420 nan 0.000 0.217 368 P C 1.892 179.134 177.300 -0.098 0.000 1.150 368 P CA 1.389 64.421 63.100 -0.114 0.000 0.832 368 P CB -0.012 31.642 31.700 -0.078 0.000 0.787 369 V N 0.793 120.635 119.914 -0.120 0.000 2.270 369 V HA -0.188 3.932 4.120 -0.001 0.000 0.245 369 V C 2.727 178.762 176.094 -0.098 0.000 1.043 369 V CA 1.491 63.732 62.300 -0.098 0.000 1.014 369 V CB -1.066 30.693 31.823 -0.106 0.000 0.645 369 V HN -0.042 nan 8.190 nan 0.000 0.447 370 I N 1.398 121.882 120.570 -0.144 0.000 2.286 370 I HA -0.198 3.972 4.170 -0.001 0.000 0.248 370 I C 2.739 178.826 176.117 -0.051 0.000 1.115 370 I CA 2.237 63.478 61.300 -0.099 0.000 1.392 370 I CB -1.462 36.464 38.000 -0.123 0.000 1.065 370 I HN 0.546 nan 8.210 nan 0.000 0.418 371 S N -0.270 115.392 115.700 -0.062 0.000 2.383 371 S HA -0.139 4.331 4.470 -0.001 0.000 0.227 371 S C 1.984 176.583 174.600 -0.000 0.000 1.026 371 S CA 1.596 59.783 58.200 -0.022 0.000 0.981 371 S CB -0.936 62.241 63.200 -0.038 0.000 0.818 371 S HN 0.401 nan 8.310 nan 0.000 0.472 372 T N 2.794 117.336 114.554 -0.020 0.000 2.777 372 T HA 0.137 4.487 4.350 -0.001 0.000 0.266 372 T C 1.736 176.434 174.700 -0.002 0.000 1.040 372 T CA 1.404 63.498 62.100 -0.010 0.000 1.141 372 T CB -0.471 68.384 68.868 -0.022 0.000 0.868 372 T HN 0.372 nan 8.240 nan 0.000 0.444 373 I N 0.995 121.556 120.570 -0.015 0.000 2.179 373 I HA -0.175 3.994 4.170 -0.001 0.000 0.242 373 I C 2.649 178.751 176.117 -0.026 0.000 1.088 373 I CA 1.446 62.736 61.300 -0.017 0.000 1.357 373 I CB -0.365 37.622 38.000 -0.022 0.000 1.051 373 I HN 0.334 nan 8.210 nan 0.000 0.409 374 E N 0.607 120.788 120.200 -0.032 0.000 2.110 374 E HA -0.208 4.141 4.350 -0.001 0.000 0.193 374 E C 1.888 178.501 176.600 0.021 0.000 0.988 374 E CA 0.979 57.319 56.400 -0.100 0.000 0.804 374 E CB -0.149 29.516 29.700 -0.059 0.000 0.745 374 E HN 0.454 nan 8.360 nan 0.000 0.458 375 N N 0.521 119.307 118.700 0.143 0.000 2.069 375 N HA -0.144 4.596 4.740 -0.001 0.000 0.191 375 N C 1.939 177.567 175.510 0.196 0.000 1.031 375 N CA 1.023 54.208 53.050 0.225 0.000 0.852 375 N CB -0.376 38.175 38.487 0.106 0.000 1.018 375 N HN 0.019 nan 8.380 nan 0.000 0.423 376 V N 1.042 121.014 119.914 0.096 0.000 2.358 376 V HA -0.147 3.973 4.120 -0.001 0.000 0.246 376 V C 2.280 178.450 176.094 0.127 0.000 1.047 376 V CA 0.944 63.304 62.300 0.099 0.000 1.035 376 V CB -0.423 31.423 31.823 0.039 0.000 0.658 376 V HN 0.151 nan 8.190 nan 0.000 0.452 377 L N -0.907 120.329 121.223 0.022 0.000 2.042 377 L HA -0.109 4.231 4.340 -0.001 0.000 0.210 377 L C 2.226 179.095 176.870 -0.002 0.000 1.076 377 L CA 1.908 56.718 54.840 -0.049 0.000 0.749 377 L CB -1.196 40.749 42.059 -0.190 0.000 0.893 377 L HN 0.232 nan 8.230 nan 0.000 0.432 378 F N -2.062 117.931 119.950 0.073 0.000 2.171 378 F HA -0.255 4.271 4.527 -0.001 0.000 0.300 378 F C 2.488 178.333 175.800 0.075 0.000 1.090 378 F CA 1.237 59.273 58.000 0.059 0.000 1.293 378 F CB -0.965 38.068 39.000 0.056 0.000 1.013 378 F HN 0.087 nan 8.300 nan 0.000 0.486 379 Y N 1.164 121.572 120.300 0.180 0.000 2.114 379 Y HA -0.168 4.382 4.550 -0.001 0.000 0.284 379 Y C 2.416 178.352 175.900 0.059 0.000 1.119 379 Y CA 2.047 60.203 58.100 0.095 0.000 1.108 379 Y CB -0.620 37.880 38.460 0.067 0.000 0.995 379 Y HN 0.072 nan 8.280 nan 0.000 0.491 380 I N -1.695 118.976 120.570 0.169 0.000 2.614 380 I HA 0.003 4.173 4.170 -0.001 0.000 0.258 380 I C 2.066 178.174 176.117 -0.015 0.000 1.189 380 I CA 1.550 62.878 61.300 0.046 0.000 1.462 380 I CB -1.022 37.045 38.000 0.112 0.000 1.092 380 I HN 0.266 nan 8.210 nan 0.000 0.442 381 G N 1.742 110.547 108.800 0.009 0.000 2.776 381 G HA2 -0.022 3.938 3.960 -0.001 0.000 0.209 381 G HA3 -0.022 3.938 3.960 -0.001 0.000 0.209 381 G C 1.622 176.512 174.900 -0.015 0.000 1.145 381 G CA 0.539 45.640 45.100 0.001 0.000 0.791 381 G HN 0.676 nan 8.290 nan 0.000 0.530 382 R N -1.776 118.689 120.500 -0.058 0.000 3.062 382 R HA 0.193 4.533 4.340 -0.001 0.000 0.161 382 R C 0.162 176.386 176.300 -0.126 0.000 0.778 382 R CA -0.303 55.753 56.100 -0.073 0.000 1.168 382 R CB 0.125 30.392 30.300 -0.055 0.000 1.618 382 R HN 0.029 nan 8.270 nan 0.000 0.566 383 V N 3.998 123.770 119.914 -0.236 0.000 2.763 383 V HA -0.062 4.058 4.120 -0.001 0.000 0.306 383 V C 0.710 176.699 176.094 -0.177 0.000 1.059 383 V CA 0.180 62.306 62.300 -0.289 0.000 1.138 383 V CB 0.945 32.381 31.823 -0.646 0.000 0.940 383 V HN 0.329 nan 8.190 nan 0.000 0.489 384 N N 2.774 121.403 118.700 -0.118 0.000 2.132 384 N HA 0.043 4.783 4.740 -0.001 0.000 0.187 384 N C 0.529 176.013 175.510 -0.044 0.000 1.038 384 N CA 0.948 53.959 53.050 -0.065 0.000 0.846 384 N CB 0.060 38.520 38.487 -0.045 0.000 1.012 384 N HN 0.752 nan 8.380 nan 0.000 0.429 385 K N 0.000 120.380 120.400 -0.034 0.000 2.780 385 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 385 K CA 0.000 56.292 56.287 0.008 0.000 0.838 385 K CB 0.000 32.506 32.500 0.010 0.000 1.064 385 K HN 0.000 nan 8.250 nan 0.000 0.543