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 1ks8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAYDYKQVLR DSLLFYEAQR SGRLPADQKV TWRKDSALND QGDQGQDLTG DATA SEQUENCE GYFDAGDFVK FGFPMAYTAT VLAWGLIDFE AGYSSAGALD DGRKAVKWAT DATA SEQUENCE DYFIKAHTSQ NEFYGQVGQG DADHAFWGRP EDMTMARPAY KIDTSRPGSD DATA SEQUENCE LAGETAAALA AASIVFRNVD GTYSNNLLTH ARQLFDFANN YRGKYSDSIT DATA SEQUENCE DARNFYASAD YRDELVWAAA WLYRATNDNT YLNTAESLYD EFGLQNWGGG DATA SEQUENCE LNWDSKVSGV QVLLAKLTNK QAYKDTVQSY VNYLINNQQK TPKGLLYIDM DATA SEQUENCE WGTLRHAANA AFIMLEAAEL GLSASSYRQF AQTQIDYALG DGGRSFVCGF DATA SEQUENCE GSNPPTRPHH RSSScPPAPA TcDWNTFNSP DPNYHVLSGA LVGGPDQNDN DATA SEQUENCE YVDDRSDYVH NEVATDYNAG FQSALAALVA LGY 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 0.000 175.876 176.300 -0.706 0.000 1.140 1 M CA 0.000 54.930 55.300 -0.617 0.000 0.988 1 M CB 0.000 32.446 32.600 -0.257 0.000 1.302 2 A N 0.001 122.544 122.820 -0.461 0.000 2.578 2 A HA -0.094 4.225 4.320 -0.001 0.000 0.298 2 A C -1.312 176.062 177.584 -0.350 0.000 1.472 2 A CA 0.723 52.578 52.037 -0.304 0.000 0.734 2 A CB -2.832 16.047 19.000 -0.202 0.000 1.091 2 A HN 0.810 nan 8.150 nan 0.000 0.426 3 Y N 0.054 120.217 120.300 -0.229 0.000 2.309 3 Y HA 0.423 4.972 4.550 -0.001 0.000 0.327 3 Y C 0.945 176.542 175.900 -0.506 0.000 1.172 3 Y CA -0.356 57.556 58.100 -0.313 0.000 1.280 3 Y CB 0.610 38.833 38.460 -0.396 0.000 1.234 3 Y HN 0.505 nan 8.280 nan 0.000 0.512 4 D N 2.451 122.829 120.400 -0.036 0.000 2.517 4 D HA 0.016 4.655 4.640 -0.001 0.000 0.220 4 D C 0.223 176.472 176.300 -0.084 0.000 1.158 4 D CA 0.075 54.048 54.000 -0.045 0.000 0.992 4 D CB -0.227 40.625 40.800 0.086 0.000 1.058 4 D HN 0.457 nan 8.370 nan 0.000 0.516 5 Y N 1.945 122.277 120.300 0.053 0.000 2.256 5 Y HA -0.169 4.381 4.550 -0.001 0.000 0.288 5 Y C 2.273 178.116 175.900 -0.096 0.000 1.155 5 Y CA 0.953 59.018 58.100 -0.059 0.000 1.203 5 Y CB -0.187 38.242 38.460 -0.053 0.000 0.980 5 Y HN 0.278 nan 8.280 nan 0.000 0.530 6 K N -0.385 120.070 120.400 0.090 0.000 2.057 6 K HA -0.261 4.059 4.320 -0.001 0.000 0.207 6 K C 2.151 178.757 176.600 0.010 0.000 1.049 6 K CA 1.687 57.992 56.287 0.030 0.000 0.931 6 K CB -0.200 32.328 32.500 0.045 0.000 0.714 6 K HN 0.172 nan 8.250 nan 0.000 0.440 7 Q N 0.934 120.752 119.800 0.031 0.000 2.172 7 Q HA -0.067 4.272 4.340 -0.001 0.000 0.200 7 Q C 1.808 177.810 176.000 0.004 0.000 0.964 7 Q CA 1.122 56.954 55.803 0.049 0.000 0.855 7 Q CB 0.068 28.873 28.738 0.110 0.000 0.918 7 Q HN 0.074 nan 8.270 nan 0.000 0.444 8 V N 0.618 120.474 119.914 -0.098 0.000 2.427 8 V HA -0.198 3.921 4.120 -0.001 0.000 0.248 8 V C 2.167 178.176 176.094 -0.141 0.000 1.051 8 V CA 1.412 63.576 62.300 -0.227 0.000 1.048 8 V CB -0.720 30.849 31.823 -0.422 0.000 0.666 8 V HN 0.378 nan 8.190 nan 0.000 0.456 9 L N 0.611 121.750 121.223 -0.141 0.000 2.017 9 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 9 L C 2.579 179.428 176.870 -0.036 0.000 1.073 9 L CA 1.927 56.675 54.840 -0.154 0.000 0.745 9 L CB -0.711 41.213 42.059 -0.226 0.000 0.894 9 L HN 0.184 nan 8.230 nan 0.000 0.432 10 R N -0.453 120.047 120.500 0.001 0.000 2.096 10 R HA -0.146 4.193 4.340 -0.001 0.000 0.235 10 R C 1.897 178.250 176.300 0.088 0.000 1.127 10 R CA 1.431 57.565 56.100 0.058 0.000 0.968 10 R CB -0.539 29.798 30.300 0.061 0.000 0.861 10 R HN 0.430 nan 8.270 nan 0.000 0.440 11 D N -0.079 120.368 120.400 0.079 0.000 2.117 11 D HA -0.131 4.508 4.640 -0.001 0.000 0.197 11 D C 1.858 178.251 176.300 0.155 0.000 0.987 11 D CA 1.217 55.287 54.000 0.117 0.000 0.829 11 D CB -0.340 40.524 40.800 0.108 0.000 0.961 11 D HN 0.012 nan 8.370 nan 0.000 0.460 12 S N -0.377 115.412 115.700 0.148 0.000 2.382 12 S HA -0.078 4.392 4.470 -0.001 0.000 0.228 12 S C 2.032 176.813 174.600 0.301 0.000 1.027 12 S CA 0.598 58.938 58.200 0.234 0.000 0.991 12 S CB -0.236 63.092 63.200 0.213 0.000 0.823 12 S HN 0.181 nan 8.310 nan 0.000 0.469 13 L N 0.849 122.227 121.223 0.258 0.000 2.141 13 L HA -0.029 4.311 4.340 -0.001 0.000 0.209 13 L C 2.242 179.228 176.870 0.193 0.000 1.094 13 L CA 0.811 55.818 54.840 0.278 0.000 0.763 13 L CB -0.376 41.807 42.059 0.207 0.000 0.908 13 L HN 0.347 nan 8.230 nan 0.000 0.437 14 L N -1.548 119.767 121.223 0.154 0.000 2.141 14 L HA -0.215 4.124 4.340 -0.001 0.000 0.209 14 L C 2.502 179.433 176.870 0.101 0.000 1.094 14 L CA 0.906 55.809 54.840 0.104 0.000 0.763 14 L CB -0.493 41.640 42.059 0.124 0.000 0.908 14 L HN 0.222 nan 8.230 nan 0.000 0.437 15 F N 0.205 120.148 119.950 -0.012 0.000 2.102 15 F HA -0.254 4.273 4.527 -0.001 0.000 0.298 15 F C 2.288 177.991 175.800 -0.162 0.000 1.105 15 F CA 1.429 59.365 58.000 -0.106 0.000 1.239 15 F CB -0.546 38.330 39.000 -0.206 0.000 0.991 15 F HN -0.052 nan 8.300 nan 0.000 0.474 16 Y N 1.155 121.317 120.300 -0.230 0.000 2.274 16 Y HA -0.155 4.394 4.550 -0.001 0.000 0.290 16 Y C 2.492 178.250 175.900 -0.237 0.000 1.145 16 Y CA 1.767 59.641 58.100 -0.378 0.000 1.203 16 Y CB -0.867 37.469 38.460 -0.207 0.000 0.984 16 Y HN 0.213 nan 8.280 nan 0.000 0.533 17 E N -0.502 119.651 120.200 -0.078 0.000 2.110 17 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 17 E C 2.305 178.723 176.600 -0.302 0.000 0.988 17 E CA 0.912 57.177 56.400 -0.225 0.000 0.804 17 E CB -0.241 29.338 29.700 -0.201 0.000 0.745 17 E HN 0.447 nan 8.360 nan 0.000 0.458 18 A N 0.911 123.566 122.820 -0.275 0.000 2.121 18 A HA -0.128 4.191 4.320 -0.001 0.000 0.218 18 A C 1.868 179.390 177.584 -0.103 0.000 1.154 18 A CA 0.876 52.749 52.037 -0.273 0.000 0.679 18 A CB 0.050 19.001 19.000 -0.082 0.000 0.795 18 A HN 0.067 nan 8.150 nan 0.000 0.458 19 Q N -0.203 119.502 119.800 -0.158 0.000 2.319 19 Q HA 0.119 4.458 4.340 -0.001 0.000 0.202 19 Q C 0.004 176.076 176.000 0.120 0.000 0.896 19 Q CA 0.080 55.910 55.803 0.045 0.000 0.942 19 Q CB 0.169 28.807 28.738 -0.167 0.000 1.083 19 Q HN 0.612 nan 8.270 nan 0.000 0.510 20 R N 0.709 121.125 120.500 -0.140 0.000 2.489 20 R HA 0.177 4.517 4.340 -0.001 0.000 0.287 20 R C 0.238 176.299 176.300 -0.398 0.000 1.053 20 R CA 0.199 56.029 56.100 -0.450 0.000 1.036 20 R CB 0.562 30.282 30.300 -0.965 0.000 0.966 20 R HN -0.100 nan 8.270 nan 0.000 0.432 21 S N 1.236 116.621 115.700 -0.526 0.000 2.638 21 S HA 0.757 5.226 4.470 -0.001 0.000 0.298 21 S C 0.204 174.678 174.600 -0.211 0.000 1.111 21 S CA 0.418 58.124 58.200 -0.823 0.000 1.027 21 S CB 1.458 63.814 63.200 -1.406 0.000 1.064 21 S HN 0.897 nan 8.310 nan 0.000 0.525 22 G N 2.891 111.596 108.800 -0.158 0.000 2.545 22 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.216 22 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.216 22 G C -0.596 174.306 174.900 0.004 0.000 1.314 22 G CA -0.333 44.725 45.100 -0.070 0.000 0.906 22 G HN 0.909 nan 8.290 nan 0.000 0.563 23 R N 0.252 120.754 120.500 0.003 0.000 2.248 23 R HA 0.506 4.845 4.340 -0.001 0.000 0.328 23 R C 0.509 176.887 176.300 0.131 0.000 1.067 23 R CA -0.471 55.642 56.100 0.020 0.000 0.924 23 R CB -0.160 30.123 30.300 -0.027 0.000 1.013 23 R HN 0.460 nan 8.270 nan 0.000 0.454 24 L N 6.912 128.180 121.223 0.075 0.000 2.371 24 L HA 0.392 4.732 4.340 -0.001 0.000 0.272 24 L C -1.489 175.414 176.870 0.054 0.000 1.124 24 L CA -2.018 52.857 54.840 0.059 0.000 0.816 24 L CB 0.803 42.813 42.059 -0.081 0.000 1.129 24 L HN 0.566 nan 8.230 nan 0.000 0.448 25 P HA 0.074 nan 4.420 nan 0.000 0.272 25 P C 0.121 177.419 177.300 -0.004 0.000 1.230 25 P CA -0.402 62.726 63.100 0.046 0.000 0.788 25 P CB 1.135 32.883 31.700 0.080 0.000 0.949 26 A N 2.045 124.863 122.820 -0.003 0.000 2.019 26 A HA -0.182 4.137 4.320 -0.001 0.000 0.219 26 A C 1.329 178.904 177.584 -0.015 0.000 1.164 26 A CA 1.925 53.955 52.037 -0.011 0.000 0.644 26 A CB -1.134 17.861 19.000 -0.008 0.000 0.805 26 A HN 0.678 nan 8.150 nan 0.000 0.449 27 D N -0.743 119.649 120.400 -0.013 0.000 2.336 27 D HA 0.112 4.752 4.640 -0.001 0.000 0.228 27 D C 0.582 176.862 176.300 -0.033 0.000 1.120 27 D CA -0.214 53.777 54.000 -0.014 0.000 0.839 27 D CB -0.761 40.037 40.800 -0.003 0.000 0.932 27 D HN 0.420 nan 8.370 nan 0.000 0.509 28 Q N 1.112 120.877 119.800 -0.058 0.000 2.315 28 Q HA 0.001 4.340 4.340 -0.001 0.000 0.289 28 Q C 0.641 176.587 176.000 -0.090 0.000 1.044 28 Q CA 0.593 56.332 55.803 -0.107 0.000 0.920 28 Q CB 0.949 29.600 28.738 -0.144 0.000 1.214 28 Q HN 0.079 nan 8.270 nan 0.000 0.392 29 K N 2.274 122.616 120.400 -0.096 0.000 2.242 29 K HA 0.130 4.449 4.320 -0.001 0.000 0.200 29 K C -0.190 176.355 176.600 -0.092 0.000 1.050 29 K CA 0.369 56.620 56.287 -0.061 0.000 0.981 29 K CB 0.656 33.141 32.500 -0.025 0.000 0.795 29 K HN 0.372 nan 8.250 nan 0.000 0.477 30 V N 3.496 123.293 119.914 -0.194 0.000 2.223 30 V HA -0.017 4.103 4.120 -0.001 0.000 0.249 30 V C 1.174 176.991 176.094 -0.461 0.000 1.233 30 V CA 0.324 62.405 62.300 -0.364 0.000 1.131 30 V CB -0.046 31.466 31.823 -0.519 0.000 1.298 30 V HN 0.407 nan 8.190 nan 0.000 0.498 31 T N -0.168 114.241 114.554 -0.241 0.000 3.118 31 T HA -0.122 4.227 4.350 -0.001 0.000 0.260 31 T C 1.370 176.015 174.700 -0.091 0.000 1.139 31 T CA 0.445 62.459 62.100 -0.142 0.000 1.085 31 T CB -0.170 68.687 68.868 -0.019 0.000 0.934 31 T HN 0.823 nan 8.240 nan 0.000 0.518 32 W N 0.838 122.079 121.300 -0.099 0.000 2.800 32 W HA 0.319 4.979 4.660 -0.001 0.000 0.249 32 W C 0.242 176.658 176.519 -0.172 0.000 1.294 32 W CA -0.849 56.383 57.345 -0.189 0.000 1.402 32 W CB -0.511 28.619 29.460 -0.550 0.000 1.126 32 W HN -0.037 nan 8.180 nan 0.000 0.652 33 R N 2.438 122.667 120.500 -0.453 0.000 2.441 33 R HA 0.286 4.625 4.340 -0.001 0.000 0.284 33 R C 0.273 176.477 176.300 -0.160 0.000 1.070 33 R CA -0.089 55.810 56.100 -0.335 0.000 1.047 33 R CB 1.116 31.078 30.300 -0.563 0.000 1.016 33 R HN -0.129 nan 8.270 nan 0.000 0.477 34 K N 0.974 121.329 120.400 -0.074 0.000 2.352 34 K HA 0.313 4.633 4.320 -0.001 0.000 0.240 34 K C -0.621 175.950 176.600 -0.049 0.000 1.017 34 K CA -1.045 55.211 56.287 -0.052 0.000 0.851 34 K CB 1.101 33.590 32.500 -0.019 0.000 1.261 34 K HN 0.363 nan 8.250 nan 0.000 0.451 35 D N 1.298 121.674 120.400 -0.041 0.000 2.488 35 D HA 0.121 4.761 4.640 -0.001 0.000 0.238 35 D C 0.271 176.548 176.300 -0.038 0.000 1.138 35 D CA 0.768 54.748 54.000 -0.034 0.000 0.873 35 D CB 0.425 41.206 40.800 -0.032 0.000 1.183 35 D HN 0.545 nan 8.370 nan 0.000 0.458 36 S N -0.669 115.014 115.700 -0.029 0.000 2.611 36 S HA 0.605 5.075 4.470 -0.001 0.000 0.268 36 S C -0.239 174.352 174.600 -0.015 0.000 1.156 36 S CA -0.415 57.765 58.200 -0.034 0.000 0.817 36 S CB 1.431 64.611 63.200 -0.034 0.000 1.122 36 S HN 0.974 nan 8.310 nan 0.000 0.466 37 A N 0.248 123.051 122.820 -0.029 0.000 2.745 37 A HA -0.136 4.184 4.320 -0.001 0.000 0.296 37 A C 0.782 178.328 177.584 -0.062 0.000 1.500 37 A CA 1.122 53.144 52.037 -0.026 0.000 0.766 37 A CB -2.503 16.537 19.000 0.066 0.000 1.030 37 A HN 1.142 nan 8.150 nan 0.000 0.489 38 L N -1.843 119.338 121.223 -0.069 0.000 2.610 38 L HA -0.029 4.310 4.340 -0.001 0.000 0.232 38 L C 1.674 178.496 176.870 -0.081 0.000 1.149 38 L CA 1.382 56.176 54.840 -0.075 0.000 0.872 38 L CB -0.310 41.709 42.059 -0.068 0.000 0.992 38 L HN 0.650 nan 8.230 nan 0.000 0.447 39 N N -1.310 117.341 118.700 -0.082 0.000 2.203 39 N HA 0.026 4.766 4.740 -0.001 0.000 0.207 39 N C -0.514 174.940 175.510 -0.094 0.000 1.130 39 N CA -0.340 52.659 53.050 -0.085 0.000 0.861 39 N CB 0.485 38.923 38.487 -0.081 0.000 1.005 39 N HN 0.103 nan 8.380 nan 0.000 0.507 40 D N 2.504 122.848 120.400 -0.094 0.000 2.472 40 D HA -0.012 4.627 4.640 -0.001 0.000 0.248 40 D C 0.210 176.434 176.300 -0.127 0.000 1.174 40 D CA 0.864 54.803 54.000 -0.100 0.000 0.883 40 D CB 0.410 41.162 40.800 -0.080 0.000 1.149 40 D HN 0.341 nan 8.370 nan 0.000 0.488 41 Q N 0.681 120.385 119.800 -0.161 0.000 2.482 41 Q HA 0.643 4.983 4.340 -0.001 0.000 0.286 41 Q C -0.215 175.599 176.000 -0.309 0.000 1.007 41 Q CA -1.342 54.332 55.803 -0.215 0.000 0.801 41 Q CB 0.934 29.574 28.738 -0.163 0.000 1.455 41 Q HN 0.331 nan 8.270 nan 0.000 0.398 42 G N 0.399 108.931 108.800 -0.446 0.000 2.588 42 G HA2 0.134 4.093 3.960 -0.001 0.000 0.278 42 G HA3 0.134 4.093 3.960 -0.001 0.000 0.278 42 G C -0.040 174.725 174.900 -0.225 0.000 1.307 42 G CA -0.175 44.532 45.100 -0.655 0.000 1.016 42 G HN 0.723 nan 8.290 nan 0.000 0.503 43 D N -0.732 119.666 120.400 -0.003 0.000 2.263 43 D HA -0.046 4.593 4.640 -0.001 0.000 0.208 43 D C 2.041 178.348 176.300 0.011 0.000 0.971 43 D CA 1.043 55.082 54.000 0.066 0.000 0.867 43 D CB 0.214 41.113 40.800 0.166 0.000 0.929 43 D HN 0.282 nan 8.370 nan 0.000 0.492 44 Q N -1.137 118.655 119.800 -0.013 0.000 2.247 44 Q HA 0.379 4.719 4.340 -0.001 0.000 0.204 44 Q C 1.026 176.990 176.000 -0.060 0.000 0.872 44 Q CA 0.341 56.127 55.803 -0.027 0.000 0.951 44 Q CB 0.975 29.703 28.738 -0.016 0.000 1.099 44 Q HN 0.209 nan 8.270 nan 0.000 0.501 45 G N 0.135 108.880 108.800 -0.091 0.000 2.141 45 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.242 45 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.242 45 G C -0.229 174.594 174.900 -0.129 0.000 0.982 45 G CA -0.258 44.780 45.100 -0.104 0.000 0.662 45 G HN 0.312 nan 8.290 nan 0.000 0.527 46 Q N 0.728 120.430 119.800 -0.164 0.000 2.361 46 Q HA 0.415 4.754 4.340 -0.001 0.000 0.276 46 Q C 0.305 176.183 176.000 -0.203 0.000 1.022 46 Q CA 0.243 55.940 55.803 -0.177 0.000 0.898 46 Q CB 0.694 29.308 28.738 -0.208 0.000 1.246 46 Q HN 0.383 nan 8.270 nan 0.000 0.410 47 D N 1.958 122.259 120.400 -0.164 0.000 2.401 47 D HA -0.000 4.639 4.640 -0.001 0.000 0.254 47 D C -0.538 175.654 176.300 -0.179 0.000 1.192 47 D CA 0.439 54.346 54.000 -0.156 0.000 0.885 47 D CB 0.477 41.198 40.800 -0.131 0.000 1.147 47 D HN 0.524 nan 8.370 nan 0.000 0.478 48 L N 3.326 124.455 121.223 -0.158 0.000 3.267 48 L HA 0.146 4.485 4.340 -0.001 0.000 0.289 48 L C 0.630 177.516 176.870 0.027 0.000 1.260 48 L CA -0.396 54.386 54.840 -0.096 0.000 1.034 48 L CB 0.268 42.239 42.059 -0.147 0.000 1.413 48 L HN 0.437 nan 8.230 nan 0.000 0.594 49 T N -1.898 112.616 114.554 -0.066 0.000 2.898 49 T HA 0.634 4.983 4.350 -0.001 0.000 0.301 49 T C 0.690 175.302 174.700 -0.148 0.000 1.049 49 T CA 0.446 62.482 62.100 -0.107 0.000 1.095 49 T CB 1.988 70.778 68.868 -0.130 0.000 0.976 49 T HN 0.439 nan 8.240 nan 0.000 0.539 50 G N 0.374 109.023 108.800 -0.252 0.000 2.447 50 G HA2 0.443 4.402 3.960 -0.001 0.000 0.220 50 G HA3 0.443 4.402 3.960 -0.001 0.000 0.220 50 G C 0.239 174.807 174.900 -0.554 0.000 1.261 50 G CA 0.031 44.884 45.100 -0.411 0.000 1.000 50 G HN 2.642 nan 8.290 nan 0.000 0.515 51 G N -2.083 106.311 108.800 -0.678 0.000 2.741 51 G HA2 0.267 4.226 3.960 -0.001 0.000 0.222 51 G HA3 0.267 4.226 3.960 -0.001 0.000 0.222 51 G C -0.474 174.159 174.900 -0.444 0.000 1.364 51 G CA 0.450 45.113 45.100 -0.728 0.000 0.866 51 G HN 1.861 nan 8.290 nan 0.000 0.555 52 Y N -0.954 119.221 120.300 -0.209 0.000 2.409 52 Y HA 0.668 5.217 4.550 -0.001 0.000 0.339 52 Y C 0.661 176.481 175.900 -0.132 0.000 1.033 52 Y CA -0.775 57.242 58.100 -0.139 0.000 1.094 52 Y CB 1.319 39.797 38.460 0.030 0.000 1.210 52 Y HN 0.468 nan 8.280 nan 0.000 0.456 53 F N 1.462 121.527 119.950 0.192 0.000 2.471 53 F HA 0.038 4.564 4.527 -0.001 0.000 0.353 53 F C 1.488 177.378 175.800 0.150 0.000 1.113 53 F CA -0.528 57.558 58.000 0.142 0.000 1.262 53 F CB 0.570 39.688 39.000 0.196 0.000 1.146 53 F HN 0.608 nan 8.300 nan 0.000 0.578 54 D N 1.228 121.839 120.400 0.352 0.000 2.084 54 D HA -0.020 4.619 4.640 -0.001 0.000 0.194 54 D C 1.018 177.460 176.300 0.237 0.000 0.990 54 D CA 2.000 56.181 54.000 0.300 0.000 0.826 54 D CB 0.295 41.367 40.800 0.454 0.000 0.971 54 D HN 0.557 nan 8.370 nan 0.000 0.453 55 A N -1.480 121.457 122.820 0.196 0.000 2.770 55 A HA 0.578 4.898 4.320 -0.001 0.000 0.183 55 A C 1.520 179.163 177.584 0.097 0.000 1.077 55 A CA 0.191 52.323 52.037 0.160 0.000 1.468 55 A CB -0.312 18.749 19.000 0.103 0.000 2.037 55 A HN 0.143 nan 8.150 nan 0.000 0.730 56 G N 0.583 109.382 108.800 -0.002 0.000 2.985 56 G HA2 0.327 4.287 3.960 -0.001 0.000 0.209 56 G HA3 0.327 4.287 3.960 -0.001 0.000 0.209 56 G C 0.127 174.579 174.900 -0.747 0.000 1.165 56 G CA 1.046 45.981 45.100 -0.275 0.000 0.776 56 G HN 0.732 nan 8.290 nan 0.000 0.541 57 D N -0.740 119.307 120.400 -0.590 0.000 2.564 57 D HA 0.373 5.013 4.640 -0.001 0.000 0.273 57 D C -0.128 175.591 176.300 -0.968 0.000 1.192 57 D CA -1.340 52.198 54.000 -0.769 0.000 1.080 57 D CB 0.327 41.009 40.800 -0.198 0.000 1.160 57 D HN 0.057 nan 8.370 nan 0.000 0.607 58 F N -0.783 119.023 119.950 -0.241 0.000 2.735 58 F HA 0.247 4.774 4.527 -0.001 0.000 0.308 58 F C 0.110 175.904 175.800 -0.011 0.000 1.112 58 F CA -0.764 56.970 58.000 -0.442 0.000 1.235 58 F CB 1.098 39.658 39.000 -0.733 0.000 1.027 58 F HN -0.131 nan 8.300 nan 0.000 0.528 59 V N 1.236 121.184 119.914 0.057 0.000 2.649 59 V HA 0.130 4.249 4.120 -0.001 0.000 0.292 59 V C 0.116 176.162 176.094 -0.080 0.000 1.055 59 V CA -0.650 61.549 62.300 -0.169 0.000 1.023 59 V CB 1.459 32.878 31.823 -0.674 0.000 0.992 59 V HN 0.148 nan 8.190 nan 0.000 0.480 60 K N 4.166 124.485 120.400 -0.135 0.000 2.300 60 K HA 0.417 4.737 4.320 -0.001 0.000 0.264 60 K C -1.205 175.381 176.600 -0.023 0.000 1.083 60 K CA -0.056 56.210 56.287 -0.034 0.000 0.958 60 K CB 0.415 32.852 32.500 -0.105 0.000 1.318 60 K HN 0.417 nan 8.250 nan 0.000 0.448 61 F N 1.216 121.258 119.950 0.153 0.000 2.375 61 F HA 0.189 4.715 4.527 -0.001 0.000 0.362 61 F C 1.593 177.490 175.800 0.162 0.000 1.129 61 F CA -0.466 57.623 58.000 0.149 0.000 1.154 61 F CB 1.128 40.132 39.000 0.006 0.000 1.205 61 F HN 0.679 nan 8.300 nan 0.000 0.513 62 G N 3.432 112.494 108.800 0.438 0.000 2.450 62 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.220 62 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.220 62 G C 1.615 176.724 174.900 0.348 0.000 1.130 62 G CA 0.506 45.867 45.100 0.434 0.000 0.760 62 G HN 0.517 nan 8.290 nan 0.000 0.557 63 F N 2.860 122.812 119.950 0.004 0.000 2.060 63 F HA 0.043 4.569 4.527 -0.001 0.000 0.295 63 F C 0.097 175.929 175.800 0.053 0.000 1.120 63 F CA 0.646 58.602 58.000 -0.072 0.000 1.205 63 F CB -1.086 37.803 39.000 -0.185 0.000 0.986 63 F HN 0.112 nan 8.300 nan 0.000 0.470 64 P HA -0.188 nan 4.420 nan 0.000 0.221 64 P C 2.192 179.575 177.300 0.138 0.000 1.150 64 P CA 1.504 64.479 63.100 -0.209 0.000 0.800 64 P CB -0.313 30.903 31.700 -0.807 0.000 0.787 65 M N -0.333 119.400 119.600 0.221 0.000 2.132 65 M HA -0.080 4.399 4.480 -0.001 0.000 0.263 65 M C 2.097 178.717 176.300 0.533 0.000 1.065 65 M CA 1.857 57.401 55.300 0.405 0.000 1.122 65 M CB -0.393 32.522 32.600 0.524 0.000 1.365 65 M HN -0.089 nan 8.290 nan 0.000 0.411 66 A N -0.570 122.493 122.820 0.404 0.000 1.898 66 A HA -0.238 4.081 4.320 -0.001 0.000 0.216 66 A C 1.923 179.651 177.584 0.240 0.000 1.181 66 A CA 1.532 53.684 52.037 0.191 0.000 0.620 66 A CB -1.263 17.670 19.000 -0.112 0.000 0.819 66 A HN 0.710 nan 8.150 nan 0.000 0.442 67 Y N 1.366 121.753 120.300 0.144 0.000 2.128 67 Y HA -0.222 4.327 4.550 -0.001 0.000 0.284 67 Y C 2.521 178.545 175.900 0.206 0.000 1.154 67 Y CA 2.428 60.622 58.100 0.157 0.000 1.149 67 Y CB -0.883 37.619 38.460 0.070 0.000 0.976 67 Y HN 0.282 nan 8.280 nan 0.000 0.505 68 T N 0.978 115.602 114.554 0.116 0.000 2.684 68 T HA -0.239 4.110 4.350 -0.001 0.000 0.267 68 T C 2.126 176.808 174.700 -0.030 0.000 1.036 68 T CA 1.778 63.892 62.100 0.023 0.000 1.148 68 T CB -0.883 68.091 68.868 0.177 0.000 0.863 68 T HN 0.537 nan 8.240 nan 0.000 0.436 69 A N 1.247 124.139 122.820 0.121 0.000 1.902 69 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 69 A C 2.567 180.158 177.584 0.013 0.000 1.181 69 A CA 2.197 54.314 52.037 0.134 0.000 0.623 69 A CB -1.275 17.967 19.000 0.403 0.000 0.818 69 A HN 0.500 nan 8.150 nan 0.000 0.443 70 T N -0.339 114.197 114.554 -0.030 0.000 2.708 70 T HA -0.120 4.229 4.350 -0.001 0.000 0.266 70 T C 1.868 176.541 174.700 -0.045 0.000 1.037 70 T CA 1.643 63.640 62.100 -0.171 0.000 1.146 70 T CB -0.480 68.338 68.868 -0.084 0.000 0.865 70 T HN 0.155 nan 8.240 nan 0.000 0.435 71 V N 1.457 121.369 119.914 -0.004 0.000 2.427 71 V HA -0.078 4.041 4.120 -0.001 0.000 0.248 71 V C 2.486 178.615 176.094 0.058 0.000 1.051 71 V CA 1.304 63.687 62.300 0.137 0.000 1.048 71 V CB -0.691 31.051 31.823 -0.134 0.000 0.666 71 V HN 0.427 nan 8.190 nan 0.000 0.456 72 L N 0.035 121.239 121.223 -0.031 0.000 2.056 72 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 72 L C 2.746 179.624 176.870 0.012 0.000 1.078 72 L CA 1.598 56.420 54.840 -0.030 0.000 0.749 72 L CB -0.793 41.197 42.059 -0.115 0.000 0.901 72 L HN 0.367 nan 8.230 nan 0.000 0.433 73 A N -0.680 122.134 122.820 -0.010 0.000 1.902 73 A HA -0.261 4.058 4.320 -0.001 0.000 0.217 73 A C 2.024 179.679 177.584 0.118 0.000 1.181 73 A CA 1.318 53.335 52.037 -0.034 0.000 0.623 73 A CB -0.959 17.961 19.000 -0.132 0.000 0.818 73 A HN 0.616 nan 8.150 nan 0.000 0.443 74 W N 0.938 122.230 121.300 -0.013 0.000 2.335 74 W HA -0.122 4.537 4.660 -0.001 0.000 0.311 74 W C 2.222 178.938 176.519 0.327 0.000 1.213 74 W CA 1.610 59.116 57.345 0.268 0.000 1.274 74 W CB -0.987 28.750 29.460 0.461 0.000 1.148 74 W HN 0.249 nan 8.180 nan 0.000 0.498 75 G N 0.315 109.338 108.800 0.373 0.000 2.422 75 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.218 75 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.218 75 G C 1.739 176.879 174.900 0.400 0.000 1.140 75 G CA 0.857 46.195 45.100 0.398 0.000 0.775 75 G HN 0.299 nan 8.290 nan 0.000 0.545 76 L N -0.079 121.265 121.223 0.201 0.000 2.141 76 L HA 0.043 4.382 4.340 -0.001 0.000 0.209 76 L C 2.732 179.617 176.870 0.026 0.000 1.094 76 L CA 0.614 55.436 54.840 -0.029 0.000 0.763 76 L CB -0.134 41.746 42.059 -0.297 0.000 0.908 76 L HN 0.254 nan 8.230 nan 0.000 0.437 77 I N -0.740 119.887 120.570 0.094 0.000 2.235 77 I HA -0.227 3.942 4.170 -0.001 0.000 0.241 77 I C 1.816 177.939 176.117 0.010 0.000 1.085 77 I CA 1.040 62.385 61.300 0.075 0.000 1.378 77 I CB -0.238 37.871 38.000 0.183 0.000 1.076 77 I HN 0.158 nan 8.210 nan 0.000 0.415 78 D N 0.327 120.700 120.400 -0.046 0.000 2.234 78 D HA -0.038 4.601 4.640 -0.001 0.000 0.205 78 D C 0.583 176.402 176.300 -0.802 0.000 0.962 78 D CA 1.264 54.981 54.000 -0.471 0.000 0.855 78 D CB 0.164 40.524 40.800 -0.733 0.000 0.951 78 D HN 0.250 nan 8.370 nan 0.000 0.500 79 F N 0.136 120.168 119.950 0.136 0.000 2.818 79 F HA 0.247 4.774 4.527 -0.001 0.000 0.369 79 F C 1.517 177.425 175.800 0.180 0.000 1.327 79 F CA -0.777 57.295 58.000 0.120 0.000 1.211 79 F CB 0.148 39.208 39.000 0.100 0.000 1.036 79 F HN -0.216 nan 8.300 nan 0.000 0.510 80 E N 1.313 121.641 120.200 0.213 0.000 2.118 80 E HA -0.229 4.120 4.350 -0.001 0.000 0.195 80 E C 2.330 179.056 176.600 0.210 0.000 0.992 80 E CA 1.386 57.901 56.400 0.193 0.000 0.804 80 E CB 0.205 29.942 29.700 0.061 0.000 0.741 80 E HN 0.475 nan 8.360 nan 0.000 0.458 81 A N 0.618 123.536 122.820 0.164 0.000 1.978 81 A HA -0.121 4.199 4.320 -0.001 0.000 0.220 81 A C 2.341 180.009 177.584 0.139 0.000 1.170 81 A CA 1.676 53.793 52.037 0.133 0.000 0.636 81 A CB -1.047 18.019 19.000 0.111 0.000 0.810 81 A HN 0.458 nan 8.150 nan 0.000 0.448 82 G N -1.699 107.199 108.800 0.163 0.000 2.402 82 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.216 82 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.216 82 G C 1.460 176.372 174.900 0.020 0.000 1.162 82 G CA 1.132 46.267 45.100 0.059 0.000 0.777 82 G HN 0.546 nan 8.290 nan 0.000 0.539 83 Y N 1.436 121.770 120.300 0.056 0.000 2.200 83 Y HA -0.084 4.466 4.550 -0.001 0.000 0.290 83 Y C 3.373 179.296 175.900 0.039 0.000 1.137 83 Y CA 1.557 59.681 58.100 0.041 0.000 1.163 83 Y CB -0.168 38.313 38.460 0.034 0.000 0.988 83 Y HN 0.162 nan 8.280 nan 0.000 0.518 84 S N -0.781 115.040 115.700 0.202 0.000 2.368 84 S HA -0.189 4.280 4.470 -0.001 0.000 0.225 84 S C 2.204 176.859 174.600 0.092 0.000 1.030 84 S CA 1.471 59.746 58.200 0.124 0.000 0.999 84 S CB -0.446 62.813 63.200 0.098 0.000 0.844 84 S HN 0.371 nan 8.310 nan 0.000 0.459 85 S N 1.278 117.028 115.700 0.082 0.000 2.419 85 S HA 0.033 4.503 4.470 -0.001 0.000 0.233 85 S C 1.832 176.465 174.600 0.056 0.000 1.016 85 S CA 0.882 59.120 58.200 0.064 0.000 0.974 85 S CB -0.221 63.015 63.200 0.061 0.000 0.786 85 S HN 0.590 nan 8.310 nan 0.000 0.492 86 A N 0.270 123.120 122.820 0.050 0.000 2.275 86 A HA 0.518 4.837 4.320 -0.001 0.000 0.212 86 A C 1.483 179.103 177.584 0.059 0.000 1.201 86 A CA 0.537 52.598 52.037 0.039 0.000 0.843 86 A CB -0.709 18.288 19.000 -0.004 0.000 0.873 86 A HN 0.768 nan 8.150 nan 0.000 0.492 87 G N -1.616 107.228 108.800 0.073 0.000 2.249 87 G HA2 -0.006 3.953 3.960 -0.001 0.000 0.273 87 G HA3 -0.006 3.953 3.960 -0.001 0.000 0.273 87 G C 0.606 175.562 174.900 0.093 0.000 1.036 87 G CA 0.397 45.542 45.100 0.075 0.000 0.824 87 G HN 1.606 nan 8.290 nan 0.000 0.504 88 A N -1.081 121.819 122.820 0.133 0.000 2.606 88 A HA 0.638 4.958 4.320 -0.001 0.000 0.290 88 A C 1.703 179.436 177.584 0.249 0.000 1.174 88 A CA 0.912 53.059 52.037 0.184 0.000 0.958 88 A CB 0.115 19.230 19.000 0.193 0.000 1.194 88 A HN 1.072 nan 8.150 nan 0.000 0.526 89 L N 0.031 121.357 121.223 0.173 0.000 2.017 89 L HA -0.105 4.235 4.340 -0.001 0.000 0.208 89 L C 1.600 178.477 176.870 0.011 0.000 1.073 89 L CA 2.528 57.417 54.840 0.082 0.000 0.745 89 L CB -0.385 41.708 42.059 0.056 0.000 0.894 89 L HN 0.369 nan 8.230 nan 0.000 0.432 90 D N -0.247 120.179 120.400 0.043 0.000 2.104 90 D HA -0.182 4.457 4.640 -0.001 0.000 0.194 90 D C 1.836 178.167 176.300 0.052 0.000 0.994 90 D CA 1.529 55.554 54.000 0.042 0.000 0.830 90 D CB -0.275 40.555 40.800 0.050 0.000 0.959 90 D HN 0.389 nan 8.370 nan 0.000 0.452 91 D N -0.228 120.217 120.400 0.074 0.000 2.144 91 D HA -0.060 4.580 4.640 -0.001 0.000 0.199 91 D C 2.143 178.494 176.300 0.085 0.000 0.984 91 D CA 1.239 55.292 54.000 0.088 0.000 0.834 91 D CB -0.615 40.249 40.800 0.107 0.000 0.955 91 D HN 0.265 nan 8.370 nan 0.000 0.465 92 G N 0.556 109.389 108.800 0.056 0.000 2.418 92 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.217 92 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.217 92 G C 1.723 176.529 174.900 -0.157 0.000 1.158 92 G CA 0.472 45.506 45.100 -0.111 0.000 0.771 92 G HN 0.230 nan 8.290 nan 0.000 0.545 93 R N 0.312 120.731 120.500 -0.135 0.000 2.081 93 R HA 0.017 4.356 4.340 -0.001 0.000 0.235 93 R C 2.640 179.053 176.300 0.188 0.000 1.131 93 R CA 1.316 57.377 56.100 -0.065 0.000 0.960 93 R CB -0.207 30.046 30.300 -0.079 0.000 0.856 93 R HN 0.287 nan 8.270 nan 0.000 0.436 94 K N 0.287 120.776 120.400 0.148 0.000 2.097 94 K HA -0.092 4.228 4.320 -0.001 0.000 0.206 94 K C 2.133 178.852 176.600 0.200 0.000 1.049 94 K CA 1.327 57.718 56.287 0.173 0.000 0.933 94 K CB -0.119 32.456 32.500 0.126 0.000 0.717 94 K HN 0.158 nan 8.250 nan 0.000 0.442 95 A N 0.933 123.844 122.820 0.151 0.000 1.933 95 A HA -0.109 4.210 4.320 -0.001 0.000 0.218 95 A C 2.339 180.044 177.584 0.201 0.000 1.175 95 A CA 1.305 53.446 52.037 0.173 0.000 0.628 95 A CB -0.481 18.546 19.000 0.045 0.000 0.814 95 A HN 0.067 nan 8.150 nan 0.000 0.444 96 V N -0.042 119.959 119.914 0.144 0.000 2.323 96 V HA -0.204 3.915 4.120 -0.001 0.000 0.244 96 V C 2.491 178.719 176.094 0.224 0.000 1.041 96 V CA 2.229 64.629 62.300 0.166 0.000 1.025 96 V CB -0.570 31.337 31.823 0.139 0.000 0.656 96 V HN 0.660 nan 8.190 nan 0.000 0.451 97 K N -0.937 119.631 120.400 0.280 0.000 2.147 97 K HA -0.233 4.086 4.320 -0.001 0.000 0.205 97 K C 2.109 178.697 176.600 -0.020 0.000 1.049 97 K CA 1.515 57.882 56.287 0.133 0.000 0.936 97 K CB -0.214 32.281 32.500 -0.010 0.000 0.722 97 K HN 0.634 nan 8.250 nan 0.000 0.446 98 W N 1.044 122.256 121.300 -0.148 0.000 2.363 98 W HA -0.183 4.476 4.660 -0.001 0.000 0.296 98 W C 1.677 177.926 176.519 -0.451 0.000 1.212 98 W CA 1.811 58.953 57.345 -0.338 0.000 1.260 98 W CB -0.097 29.077 29.460 -0.477 0.000 1.131 98 W HN 0.222 nan 8.180 nan 0.000 0.530 99 A N 0.283 122.997 122.820 -0.177 0.000 1.874 99 A HA -0.172 4.147 4.320 -0.001 0.000 0.214 99 A C 1.959 179.015 177.584 -0.881 0.000 1.189 99 A CA 2.523 54.294 52.037 -0.443 0.000 0.615 99 A CB -1.363 17.581 19.000 -0.093 0.000 0.830 99 A HN 0.297 nan 8.150 nan 0.000 0.443 100 T N -2.119 112.197 114.554 -0.397 0.000 2.867 100 T HA -0.140 4.209 4.350 -0.001 0.000 0.268 100 T C 1.282 175.900 174.700 -0.136 0.000 1.057 100 T CA 1.542 63.537 62.100 -0.175 0.000 1.136 100 T CB -0.462 68.467 68.868 0.102 0.000 0.874 100 T HN 0.299 nan 8.240 nan 0.000 0.466 101 D N 0.309 120.604 120.400 -0.175 0.000 2.144 101 D HA -0.063 4.577 4.640 -0.001 0.000 0.199 101 D C 1.591 177.758 176.300 -0.221 0.000 0.984 101 D CA 0.998 54.885 54.000 -0.189 0.000 0.834 101 D CB -0.446 40.142 40.800 -0.353 0.000 0.955 101 D HN 0.548 nan 8.370 nan 0.000 0.465 102 Y N 0.547 120.584 120.300 -0.438 0.000 2.220 102 Y HA -0.181 4.368 4.550 -0.001 0.000 0.291 102 Y C 1.884 177.729 175.900 -0.091 0.000 1.129 102 Y CA 1.206 59.099 58.100 -0.346 0.000 1.161 102 Y CB -0.460 37.739 38.460 -0.435 0.000 0.997 102 Y HN -0.185 nan 8.280 nan 0.000 0.522 103 F N 0.196 120.099 119.950 -0.079 0.000 2.161 103 F HA -0.218 4.309 4.527 -0.001 0.000 0.300 103 F C 2.350 178.115 175.800 -0.058 0.000 1.089 103 F CA 0.987 58.984 58.000 -0.006 0.000 1.282 103 F CB -1.320 37.761 39.000 0.136 0.000 1.010 103 F HN 0.098 nan 8.300 nan 0.000 0.485 104 I N -0.083 120.472 120.570 -0.025 0.000 2.226 104 I HA -0.306 3.863 4.170 -0.001 0.000 0.245 104 I C 2.315 178.333 176.117 -0.166 0.000 1.100 104 I CA 1.382 62.521 61.300 -0.268 0.000 1.374 104 I CB -0.411 37.395 38.000 -0.323 0.000 1.057 104 I HN 0.094 nan 8.210 nan 0.000 0.413 105 K N 0.812 121.097 120.400 -0.193 0.000 2.057 105 K HA -0.097 4.223 4.320 -0.001 0.000 0.206 105 K C 2.197 178.665 176.600 -0.221 0.000 1.050 105 K CA 1.435 57.598 56.287 -0.206 0.000 0.935 105 K CB -0.255 32.095 32.500 -0.251 0.000 0.715 105 K HN 0.281 nan 8.250 nan 0.000 0.439 106 A N 0.946 123.556 122.820 -0.350 0.000 2.067 106 A HA -0.159 4.160 4.320 -0.001 0.000 0.219 106 A C 0.962 178.508 177.584 -0.064 0.000 1.158 106 A CA 0.835 52.631 52.037 -0.402 0.000 0.661 106 A CB -0.664 17.817 19.000 -0.865 0.000 0.801 106 A HN 0.378 nan 8.150 nan 0.000 0.452 107 H N 1.290 120.418 119.070 0.096 0.000 2.923 107 H HA 0.161 4.717 4.556 -0.001 0.000 0.251 107 H C 1.281 176.703 175.328 0.156 0.000 1.741 107 H CA 0.221 56.455 56.048 0.308 0.000 1.387 107 H CB 0.195 30.170 29.762 0.355 0.000 1.740 107 H HN 0.487 nan 8.280 nan 0.000 0.544 108 T N -0.221 114.410 114.554 0.130 0.000 2.915 108 T HA -0.049 4.301 4.350 -0.001 0.000 0.269 108 T C 0.910 175.564 174.700 -0.077 0.000 1.071 108 T CA 0.293 62.408 62.100 0.026 0.000 1.132 108 T CB 0.288 69.233 68.868 0.129 0.000 0.878 108 T HN 0.275 nan 8.240 nan 0.000 0.479 109 S N -1.097 114.515 115.700 -0.147 0.000 2.607 109 S HA 0.406 4.875 4.470 -0.001 0.000 0.273 109 S C 0.086 174.497 174.600 -0.315 0.000 1.148 109 S CA -0.711 57.365 58.200 -0.206 0.000 0.833 109 S CB 1.863 64.980 63.200 -0.137 0.000 1.130 109 S HN 0.093 nan 8.310 nan 0.000 0.470 110 Q N 1.510 121.165 119.800 -0.243 0.000 2.133 110 Q HA 0.021 4.360 4.340 -0.001 0.000 0.208 110 Q C 0.520 176.512 176.000 -0.013 0.000 0.991 110 Q CA 1.856 57.603 55.803 -0.093 0.000 0.867 110 Q CB -0.064 28.649 28.738 -0.042 0.000 0.911 110 Q HN 0.497 nan 8.270 nan 0.000 0.417 111 N N 0.434 118.960 118.700 -0.290 0.000 2.458 111 N HA 0.109 4.848 4.740 -0.001 0.000 0.274 111 N C -1.051 173.799 175.510 -1.100 0.000 1.242 111 N CA 0.059 52.601 53.050 -0.847 0.000 0.904 111 N CB 0.798 38.905 38.487 -0.634 0.000 1.206 111 N HN 0.265 nan 8.380 nan 0.000 0.510 112 E N 0.499 120.384 120.200 -0.524 0.000 2.275 112 E HA 0.379 4.728 4.350 -0.001 0.000 0.270 112 E C -1.811 174.856 176.600 0.112 0.000 0.882 112 E CA -0.567 55.674 56.400 -0.266 0.000 0.758 112 E CB 1.761 31.364 29.700 -0.162 0.000 1.195 112 E HN -0.060 nan 8.360 nan 0.000 0.419 113 F N 4.108 124.040 119.950 -0.030 0.000 2.588 113 F HA 0.380 4.906 4.527 -0.001 0.000 0.318 113 F C -1.896 173.912 175.800 0.013 0.000 1.155 113 F CA -0.570 57.493 58.000 0.104 0.000 0.967 113 F CB 1.018 40.132 39.000 0.190 0.000 1.236 113 F HN 0.424 nan 8.300 nan 0.000 0.455 114 Y N 4.209 124.137 120.300 -0.619 0.000 2.393 114 Y HA 0.385 4.935 4.550 -0.001 0.000 0.338 114 Y C 1.199 176.785 175.900 -0.524 0.000 1.029 114 Y CA 0.536 58.390 58.100 -0.411 0.000 1.239 114 Y CB 1.617 39.885 38.460 -0.320 0.000 1.170 114 Y HN 0.773 nan 8.280 nan 0.000 0.515 115 G N 2.557 111.376 108.800 0.032 0.000 3.159 115 G HA2 0.122 4.082 3.960 -0.001 0.000 0.232 115 G HA3 0.122 4.082 3.960 -0.001 0.000 0.232 115 G C -0.104 174.998 174.900 0.336 0.000 1.116 115 G CA 0.041 45.279 45.100 0.230 0.000 0.767 115 G HN 0.546 nan 8.290 nan 0.000 0.547 116 Q N -0.348 119.632 119.800 0.301 0.000 2.438 116 Q HA 0.473 4.813 4.340 -0.001 0.000 0.272 116 Q C -2.216 173.846 176.000 0.104 0.000 0.994 116 Q CA -0.480 55.472 55.803 0.248 0.000 0.887 116 Q CB 2.750 31.718 28.738 0.383 0.000 1.432 116 Q HN -0.048 nan 8.270 nan 0.000 0.392 117 V N 2.285 122.198 119.914 -0.001 0.000 2.525 117 V HA 0.903 5.023 4.120 -0.001 0.000 0.299 117 V C -0.054 175.955 176.094 -0.142 0.000 1.034 117 V CA 0.299 62.550 62.300 -0.082 0.000 0.863 117 V CB 1.349 33.158 31.823 -0.024 0.000 0.999 117 V HN 1.016 nan 8.190 nan 0.000 0.423 118 G N 3.722 112.408 108.800 -0.190 0.000 2.784 118 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.686 118 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.686 118 G C -1.092 173.712 174.900 -0.161 0.000 1.156 118 G CA -0.493 44.508 45.100 -0.165 0.000 0.757 118 G HN 0.835 nan 8.290 nan 0.000 0.642 119 Q N 0.966 120.712 119.800 -0.090 0.000 2.241 119 Q HA 0.568 4.907 4.340 -0.001 0.000 0.254 119 Q C 1.645 177.556 176.000 -0.147 0.000 0.917 119 Q CA 0.105 55.924 55.803 0.026 0.000 0.919 119 Q CB 1.166 29.973 28.738 0.115 0.000 1.237 119 Q HN 1.160 nan 8.270 nan 0.000 0.434 120 G N 3.885 112.560 108.800 -0.208 0.000 2.491 120 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.218 120 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.218 120 G C 0.678 175.318 174.900 -0.434 0.000 1.180 120 G CA 1.162 45.868 45.100 -0.657 0.000 0.774 120 G HN 0.739 nan 8.290 nan 0.000 0.562 121 D N 0.853 121.243 120.400 -0.017 0.000 2.097 121 D HA 0.010 4.650 4.640 -0.001 0.000 0.197 121 D C 2.854 179.201 176.300 0.078 0.000 0.984 121 D CA 1.318 55.368 54.000 0.084 0.000 0.826 121 D CB -0.657 40.223 40.800 0.133 0.000 0.973 121 D HN 0.305 nan 8.370 nan 0.000 0.460 122 A N 0.631 123.481 122.820 0.050 0.000 1.933 122 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 122 A C 1.965 179.603 177.584 0.090 0.000 1.175 122 A CA 2.129 54.207 52.037 0.069 0.000 0.628 122 A CB -0.706 18.315 19.000 0.035 0.000 0.814 122 A HN 0.223 nan 8.150 nan 0.000 0.444 123 D N -1.369 119.043 120.400 0.019 0.000 2.084 123 D HA -0.152 4.487 4.640 -0.001 0.000 0.196 123 D C 1.691 178.150 176.300 0.265 0.000 0.985 123 D CA 1.395 55.443 54.000 0.081 0.000 0.826 123 D CB -0.243 40.529 40.800 -0.046 0.000 0.978 123 D HN 0.723 nan 8.370 nan 0.000 0.456 124 H N -0.897 118.246 119.070 0.121 0.000 2.521 124 H HA 0.117 4.672 4.556 -0.001 0.000 0.286 124 H C 1.723 177.263 175.328 0.354 0.000 1.034 124 H CA 0.356 56.514 56.048 0.184 0.000 1.278 124 H CB 0.198 30.060 29.762 0.166 0.000 1.386 124 H HN 0.175 nan 8.280 nan 0.000 0.567 125 A N 0.971 124.060 122.820 0.448 0.000 2.167 125 A HA -0.031 4.288 4.320 -0.001 0.000 0.214 125 A C 0.461 178.475 177.584 0.716 0.000 1.151 125 A CA 0.138 52.453 52.037 0.464 0.000 0.735 125 A CB -0.389 18.783 19.000 0.286 0.000 0.802 125 A HN 0.298 nan 8.150 nan 0.000 0.467 126 F N -0.821 119.376 119.950 0.412 0.000 2.443 126 F HA 0.564 5.091 4.527 -0.001 0.000 0.335 126 F C -0.751 175.020 175.800 -0.048 0.000 1.104 126 F CA -1.627 56.528 58.000 0.258 0.000 1.013 126 F CB 0.883 39.958 39.000 0.124 0.000 1.136 126 F HN 0.209 nan 8.300 nan 0.000 0.470 127 W N 7.989 128.417 121.300 -1.454 0.000 2.587 127 W HA 0.581 5.241 4.660 -0.001 0.000 0.324 127 W C -0.823 174.791 176.519 -1.509 0.000 1.008 127 W CA -0.500 55.867 57.345 -1.630 0.000 1.265 127 W CB 1.405 29.451 29.460 -2.356 0.000 1.328 127 W HN 0.974 nan 8.180 nan 0.000 0.432 128 G N 4.192 112.161 108.800 -1.385 0.000 2.335 128 G HA2 0.242 4.202 3.960 -0.001 0.000 0.291 128 G HA3 0.242 4.202 3.960 -0.001 0.000 0.291 128 G C -1.545 173.242 174.900 -0.188 0.000 1.261 128 G CA -1.226 43.466 45.100 -0.680 0.000 0.871 128 G HN 0.290 nan 8.290 nan 0.000 0.491 129 R N 1.245 121.766 120.500 0.034 0.000 2.490 129 R HA 0.294 4.633 4.340 -0.001 0.000 0.280 129 R C -1.295 174.932 176.300 -0.123 0.000 1.077 129 R CA -1.118 54.992 56.100 0.017 0.000 1.065 129 R CB 1.479 31.797 30.300 0.030 0.000 1.003 129 R HN 0.303 nan 8.270 nan 0.000 0.470 130 P HA -0.232 nan 4.420 nan 0.000 0.218 130 P C 0.574 177.592 177.300 -0.470 0.000 1.148 130 P CA 1.413 63.851 63.100 -1.103 0.000 0.822 130 P CB 0.161 30.934 31.700 -1.544 0.000 0.784 131 E N 0.008 120.057 120.200 -0.252 0.000 2.409 131 E HA -0.154 4.195 4.350 -0.001 0.000 0.198 131 E C 0.502 177.027 176.600 -0.125 0.000 1.024 131 E CA 0.918 57.230 56.400 -0.147 0.000 0.861 131 E CB -0.820 28.831 29.700 -0.080 0.000 0.788 131 E HN 0.235 nan 8.360 nan 0.000 0.521 132 D N 0.513 120.849 120.400 -0.107 0.000 2.349 132 D HA 0.143 4.783 4.640 -0.001 0.000 0.214 132 D C 0.463 176.622 176.300 -0.235 0.000 1.063 132 D CA 0.049 54.014 54.000 -0.058 0.000 0.847 132 D CB 0.039 40.909 40.800 0.117 0.000 0.933 132 D HN 0.218 nan 8.370 nan 0.000 0.513 133 M N 0.322 119.654 119.600 -0.447 0.000 2.248 133 M HA 0.022 4.502 4.480 -0.001 0.000 0.345 133 M C 1.211 177.282 176.300 -0.382 0.000 1.243 133 M CA 0.714 55.600 55.300 -0.691 0.000 1.090 133 M CB 0.832 33.084 32.600 -0.581 0.000 1.683 133 M HN -0.094 nan 8.290 nan 0.000 0.450 134 T N -1.170 113.175 114.554 -0.349 0.000 3.087 134 T HA 0.222 4.572 4.350 -0.001 0.000 0.283 134 T C 0.308 174.921 174.700 -0.145 0.000 0.956 134 T CA -0.643 61.345 62.100 -0.185 0.000 0.894 134 T CB 0.313 69.111 68.868 -0.116 0.000 1.160 134 T HN 0.664 nan 8.240 nan 0.000 0.532 135 M N 2.029 121.524 119.600 -0.176 0.000 2.247 135 M HA 0.780 5.259 4.480 -0.001 0.000 0.326 135 M C 0.089 176.333 176.300 -0.094 0.000 1.134 135 M CA -0.888 54.350 55.300 -0.103 0.000 1.136 135 M CB -0.010 32.542 32.600 -0.080 0.000 1.454 135 M HN 0.082 nan 8.290 nan 0.000 0.467 136 A N 2.955 125.739 122.820 -0.061 0.000 2.498 136 A HA 0.355 4.674 4.320 -0.001 0.000 0.239 136 A C -0.067 177.472 177.584 -0.075 0.000 1.068 136 A CA -0.247 51.753 52.037 -0.062 0.000 0.766 136 A CB -0.035 18.941 19.000 -0.040 0.000 1.003 136 A HN 0.853 nan 8.150 nan 0.000 0.497 137 R N 2.453 122.897 120.500 -0.094 0.000 2.402 137 R HA 0.309 4.649 4.340 -0.001 0.000 0.290 137 R C -2.775 173.427 176.300 -0.162 0.000 1.321 137 R CA -1.400 54.630 56.100 -0.117 0.000 1.283 137 R CB 0.938 31.176 30.300 -0.103 0.000 1.111 137 R HN 0.516 nan 8.270 nan 0.000 0.578 138 P HA 0.065 nan 4.420 nan 0.000 0.269 138 P C -0.966 176.024 177.300 -0.517 0.000 1.215 138 P CA -0.171 62.727 63.100 -0.337 0.000 0.780 138 P CB 1.001 32.481 31.700 -0.367 0.000 0.898 139 A N 2.275 124.853 122.820 -0.402 0.000 2.331 139 A HA 0.648 4.967 4.320 -0.001 0.000 0.320 139 A C -1.426 176.090 177.584 -0.113 0.000 1.138 139 A CA -0.388 51.517 52.037 -0.219 0.000 0.790 139 A CB 0.402 19.359 19.000 -0.072 0.000 1.206 139 A HN 0.409 nan 8.150 nan 0.000 0.470 140 Y N 1.249 121.690 120.300 0.235 0.000 2.429 140 Y HA 0.596 5.146 4.550 -0.001 0.000 0.342 140 Y C 0.505 176.393 175.900 -0.021 0.000 1.004 140 Y CA -0.940 57.231 58.100 0.117 0.000 1.075 140 Y CB 1.988 40.519 38.460 0.117 0.000 1.214 140 Y HN 0.786 nan 8.280 nan 0.000 0.455 141 K N 2.623 122.986 120.400 -0.063 0.000 2.433 141 K HA 0.874 5.194 4.320 -0.001 0.000 0.252 141 K C -1.314 175.255 176.600 -0.052 0.000 1.015 141 K CA -0.930 55.168 56.287 -0.316 0.000 0.860 141 K CB 2.572 34.468 32.500 -1.007 0.000 1.359 141 K HN 0.693 nan 8.250 nan 0.000 0.452 142 I N -1.314 119.287 120.570 0.051 0.000 2.648 142 I HA 0.636 4.805 4.170 -0.001 0.000 0.304 142 I C -1.363 174.876 176.117 0.203 0.000 1.009 142 I CA -0.671 60.740 61.300 0.184 0.000 1.114 142 I CB 1.813 39.994 38.000 0.303 0.000 1.293 142 I HN 0.916 nan 8.210 nan 0.000 0.449 143 D N 0.579 121.113 120.400 0.223 0.000 2.946 143 D HA 0.192 4.832 4.640 -0.001 0.000 0.337 143 D C 0.717 177.083 176.300 0.110 0.000 1.332 143 D CA 0.062 54.093 54.000 0.052 0.000 0.935 143 D CB 0.575 41.316 40.800 -0.099 0.000 1.440 143 D HN 0.629 nan 8.370 nan 0.000 0.540 144 T N -2.554 111.896 114.554 -0.173 0.000 2.881 144 T HA -0.135 4.214 4.350 -0.001 0.000 0.270 144 T C 1.616 176.274 174.700 -0.070 0.000 1.068 144 T CA 1.853 63.745 62.100 -0.346 0.000 1.131 144 T CB -0.687 67.835 68.868 -0.578 0.000 0.871 144 T HN 0.463 nan 8.240 nan 0.000 0.479 145 S N 0.835 116.520 115.700 -0.026 0.000 2.478 145 S HA 0.210 4.680 4.470 -0.001 0.000 0.222 145 S C 1.111 175.729 174.600 0.030 0.000 1.008 145 S CA -0.553 57.657 58.200 0.016 0.000 0.928 145 S CB -0.133 63.069 63.200 0.003 0.000 0.781 145 S HN 0.516 nan 8.310 nan 0.000 0.518 146 R N 2.246 122.768 120.500 0.037 0.000 2.547 146 R HA 0.417 4.756 4.340 -0.001 0.000 0.280 146 R C -2.964 173.376 176.300 0.066 0.000 1.630 146 R CA -1.857 54.265 56.100 0.037 0.000 1.470 146 R CB 1.766 32.082 30.300 0.026 0.000 1.178 146 R HN 0.368 nan 8.270 nan 0.000 0.591 147 P HA 0.158 nan 4.420 nan 0.000 0.275 147 P C -0.080 177.160 177.300 -0.101 0.000 1.266 147 P CA -0.227 62.842 63.100 -0.051 0.000 0.793 147 P CB 1.065 32.708 31.700 -0.094 0.000 1.074 148 G N -0.704 107.942 108.800 -0.255 0.000 4.132 148 G HA2 0.187 4.146 3.960 -0.001 0.000 0.269 148 G HA3 0.187 4.146 3.960 -0.001 0.000 0.269 148 G C 0.642 175.350 174.900 -0.319 0.000 2.594 148 G CA -0.183 44.822 45.100 -0.157 0.000 0.600 148 G HN 0.288 nan 8.290 nan 0.000 0.341 149 S N 1.022 116.458 115.700 -0.440 0.000 2.383 149 S HA -0.145 4.325 4.470 -0.001 0.000 0.229 149 S C 2.247 176.743 174.600 -0.174 0.000 1.030 149 S CA 1.996 59.953 58.200 -0.406 0.000 1.002 149 S CB 0.001 62.836 63.200 -0.608 0.000 0.829 149 S HN 0.757 nan 8.310 nan 0.000 0.467 150 D N 1.756 122.088 120.400 -0.113 0.000 2.097 150 D HA -0.070 4.569 4.640 -0.001 0.000 0.197 150 D C 1.857 178.046 176.300 -0.186 0.000 0.984 150 D CA 0.528 54.500 54.000 -0.047 0.000 0.826 150 D CB -0.840 39.894 40.800 -0.111 0.000 0.973 150 D HN 0.352 nan 8.370 nan 0.000 0.460 151 L N 0.770 121.743 121.223 -0.417 0.000 2.027 151 L HA 0.084 4.424 4.340 -0.001 0.000 0.206 151 L C 2.304 179.044 176.870 -0.216 0.000 1.074 151 L CA 2.091 56.708 54.840 -0.371 0.000 0.745 151 L CB -1.032 40.769 42.059 -0.430 0.000 0.898 151 L HN 0.086 nan 8.230 nan 0.000 0.433 152 A N -0.549 122.122 122.820 -0.248 0.000 1.933 152 A HA -0.031 4.288 4.320 -0.001 0.000 0.218 152 A C 2.312 179.775 177.584 -0.201 0.000 1.175 152 A CA 1.475 53.318 52.037 -0.324 0.000 0.628 152 A CB -1.567 17.248 19.000 -0.309 0.000 0.814 152 A HN 0.547 nan 8.150 nan 0.000 0.444 153 G N -0.502 108.260 108.800 -0.064 0.000 2.404 153 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.215 153 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.215 153 G C 1.472 176.468 174.900 0.160 0.000 1.174 153 G CA 1.281 46.447 45.100 0.111 0.000 0.780 153 G HN 0.537 nan 8.290 nan 0.000 0.537 154 E N 0.413 120.737 120.200 0.208 0.000 2.106 154 E HA -0.063 4.286 4.350 -0.001 0.000 0.192 154 E C 2.614 179.222 176.600 0.014 0.000 0.984 154 E CA 1.570 58.139 56.400 0.282 0.000 0.806 154 E CB -0.528 29.434 29.700 0.437 0.000 0.750 154 E HN 0.330 nan 8.360 nan 0.000 0.458 155 T N 0.017 114.454 114.554 -0.194 0.000 2.821 155 T HA -0.069 4.280 4.350 -0.001 0.000 0.267 155 T C 1.811 176.312 174.700 -0.330 0.000 1.046 155 T CA 1.267 63.080 62.100 -0.478 0.000 1.139 155 T CB -0.415 67.956 68.868 -0.829 0.000 0.871 155 T HN 0.328 nan 8.240 nan 0.000 0.454 156 A N 1.489 124.176 122.820 -0.222 0.000 1.933 156 A HA 0.165 4.485 4.320 -0.001 0.000 0.218 156 A C 2.636 180.124 177.584 -0.160 0.000 1.175 156 A CA 1.767 53.723 52.037 -0.136 0.000 0.628 156 A CB -1.056 17.945 19.000 0.002 0.000 0.814 156 A HN 0.501 nan 8.150 nan 0.000 0.444 157 A N -0.094 122.625 122.820 -0.168 0.000 1.902 157 A HA 0.165 4.484 4.320 -0.001 0.000 0.217 157 A C 2.517 179.776 177.584 -0.541 0.000 1.181 157 A CA 2.087 53.894 52.037 -0.383 0.000 0.623 157 A CB -1.041 17.695 19.000 -0.440 0.000 0.818 157 A HN 1.049 nan 8.150 nan 0.000 0.443 158 A N -0.261 122.364 122.820 -0.324 0.000 1.902 158 A HA -0.052 4.267 4.320 -0.001 0.000 0.217 158 A C 2.180 179.675 177.584 -0.149 0.000 1.181 158 A CA 1.548 53.451 52.037 -0.223 0.000 0.623 158 A CB -0.621 18.381 19.000 0.004 0.000 0.818 158 A HN 0.473 nan 8.150 nan 0.000 0.443 159 L N -0.899 120.262 121.223 -0.103 0.000 2.056 159 L HA -0.169 4.170 4.340 -0.001 0.000 0.207 159 L C 3.092 179.894 176.870 -0.113 0.000 1.078 159 L CA 1.031 55.838 54.840 -0.055 0.000 0.749 159 L CB -0.532 41.504 42.059 -0.037 0.000 0.901 159 L HN 0.435 nan 8.230 nan 0.000 0.433 160 A N 0.016 122.732 122.820 -0.174 0.000 1.898 160 A HA -0.135 4.185 4.320 -0.001 0.000 0.216 160 A C 2.536 180.028 177.584 -0.154 0.000 1.181 160 A CA 1.639 53.584 52.037 -0.154 0.000 0.620 160 A CB -0.704 18.199 19.000 -0.161 0.000 0.819 160 A HN 0.382 nan 8.150 nan 0.000 0.442 161 A N -0.080 122.519 122.820 -0.369 0.000 1.902 161 A HA 0.153 4.473 4.320 -0.001 0.000 0.217 161 A C 2.497 179.968 177.584 -0.188 0.000 1.181 161 A CA 2.104 53.860 52.037 -0.468 0.000 0.623 161 A CB -1.019 17.296 19.000 -1.143 0.000 0.818 161 A HN 1.072 nan 8.150 nan 0.000 0.443 162 A N 0.341 123.090 122.820 -0.119 0.000 1.972 162 A HA -0.089 4.231 4.320 -0.001 0.000 0.219 162 A C 2.484 180.152 177.584 0.139 0.000 1.169 162 A CA 2.263 54.337 52.037 0.063 0.000 0.635 162 A CB -0.970 18.124 19.000 0.157 0.000 0.810 162 A HN 1.052 nan 8.150 nan 0.000 0.446 163 S N 0.049 115.768 115.700 0.032 0.000 2.399 163 S HA -0.126 4.344 4.470 -0.001 0.000 0.231 163 S C 1.828 176.459 174.600 0.052 0.000 1.022 163 S CA 1.439 59.661 58.200 0.036 0.000 0.983 163 S CB -0.711 62.471 63.200 -0.031 0.000 0.803 163 S HN 0.503 nan 8.310 nan 0.000 0.480 164 I N 1.128 121.707 120.570 0.015 0.000 2.286 164 I HA -0.085 4.084 4.170 -0.001 0.000 0.245 164 I C 2.473 178.572 176.117 -0.030 0.000 1.104 164 I CA 0.800 62.103 61.300 0.005 0.000 1.397 164 I CB -0.479 37.540 38.000 0.032 0.000 1.072 164 I HN 0.196 nan 8.210 nan 0.000 0.417 165 V N 0.604 120.463 119.914 -0.092 0.000 2.332 165 V HA -0.284 3.835 4.120 -0.001 0.000 0.248 165 V C 1.839 177.698 176.094 -0.392 0.000 1.055 165 V CA 2.047 64.171 62.300 -0.292 0.000 1.038 165 V CB -0.606 30.927 31.823 -0.483 0.000 0.651 165 V HN 0.303 nan 8.190 nan 0.000 0.450 166 F N -0.651 119.315 119.950 0.025 0.000 2.727 166 F HA 0.251 4.777 4.527 -0.001 0.000 0.302 166 F C 2.081 177.903 175.800 0.038 0.000 1.097 166 F CA 0.012 58.045 58.000 0.056 0.000 1.330 166 F CB -0.472 38.615 39.000 0.146 0.000 1.084 166 F HN -0.055 nan 8.300 nan 0.000 0.578 167 R N 0.867 121.442 120.500 0.125 0.000 2.140 167 R HA -0.227 4.112 4.340 -0.001 0.000 0.250 167 R C 1.550 177.893 176.300 0.072 0.000 1.150 167 R CA 2.296 58.443 56.100 0.078 0.000 0.966 167 R CB -0.127 30.190 30.300 0.028 0.000 0.869 167 R HN 0.239 nan 8.270 nan 0.000 0.445 168 N N -0.632 118.104 118.700 0.060 0.000 2.436 168 N HA -0.085 4.655 4.740 -0.001 0.000 0.178 168 N C 1.587 177.141 175.510 0.072 0.000 1.026 168 N CA 0.888 53.968 53.050 0.051 0.000 0.880 168 N CB -0.175 38.328 38.487 0.025 0.000 1.061 168 N HN 0.084 nan 8.380 nan 0.000 0.434 169 V N 0.870 120.842 119.914 0.096 0.000 2.548 169 V HA -0.060 4.059 4.120 -0.001 0.000 0.249 169 V C -0.140 176.046 176.094 0.153 0.000 1.055 169 V CA 1.548 63.919 62.300 0.118 0.000 1.065 169 V CB -0.029 31.872 31.823 0.131 0.000 0.681 169 V HN 0.119 nan 8.190 nan 0.000 0.462 170 D N -1.425 119.104 120.400 0.215 0.000 2.586 170 D HA 0.287 4.926 4.640 -0.001 0.000 0.254 170 D C 1.076 177.479 176.300 0.171 0.000 1.248 170 D CA 0.556 54.661 54.000 0.177 0.000 0.843 170 D CB 0.805 41.707 40.800 0.170 0.000 1.332 170 D HN 0.226 nan 8.370 nan 0.000 0.523 171 G N 0.783 109.650 108.800 0.112 0.000 2.442 171 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.219 171 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.219 171 G C 1.379 176.323 174.900 0.073 0.000 1.141 171 G CA 1.411 46.562 45.100 0.085 0.000 0.763 171 G HN 0.435 nan 8.290 nan 0.000 0.554 172 T N -0.241 114.356 114.554 0.072 0.000 2.708 172 T HA -0.165 4.184 4.350 -0.001 0.000 0.266 172 T C 2.007 176.760 174.700 0.089 0.000 1.037 172 T CA 1.319 63.456 62.100 0.063 0.000 1.146 172 T CB -0.323 68.576 68.868 0.052 0.000 0.865 172 T HN 0.322 nan 8.240 nan 0.000 0.435 173 Y N 1.619 121.889 120.300 -0.050 0.000 2.242 173 Y HA -0.079 4.470 4.550 -0.001 0.000 0.291 173 Y C 2.850 178.722 175.900 -0.047 0.000 1.137 173 Y CA 1.087 59.126 58.100 -0.101 0.000 1.181 173 Y CB -0.788 37.522 38.460 -0.250 0.000 0.989 173 Y HN 0.160 nan 8.280 nan 0.000 0.527 174 S N -0.011 115.693 115.700 0.007 0.000 2.359 174 S HA -0.261 4.209 4.470 -0.001 0.000 0.224 174 S C 1.837 176.400 174.600 -0.062 0.000 1.035 174 S CA 2.020 60.209 58.200 -0.018 0.000 1.018 174 S CB -0.639 62.614 63.200 0.088 0.000 0.876 174 S HN 0.739 nan 8.310 nan 0.000 0.448 175 N N 0.936 119.621 118.700 -0.025 0.000 2.120 175 N HA -0.143 4.597 4.740 -0.001 0.000 0.188 175 N C 1.794 177.282 175.510 -0.036 0.000 1.024 175 N CA 1.314 54.352 53.050 -0.020 0.000 0.852 175 N CB -0.305 38.182 38.487 -0.000 0.000 1.003 175 N HN 0.452 nan 8.380 nan 0.000 0.424 176 N N 1.477 120.148 118.700 -0.049 0.000 2.084 176 N HA -0.074 4.666 4.740 -0.001 0.000 0.190 176 N C 1.625 177.141 175.510 0.011 0.000 1.030 176 N CA 0.942 53.988 53.050 -0.008 0.000 0.849 176 N CB -0.219 38.275 38.487 0.012 0.000 1.012 176 N HN 0.175 nan 8.380 nan 0.000 0.423 177 L N -0.323 120.787 121.223 -0.190 0.000 2.012 177 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 177 L C 2.247 179.095 176.870 -0.036 0.000 1.073 177 L CA 0.792 55.529 54.840 -0.172 0.000 0.748 177 L CB -0.554 41.312 42.059 -0.322 0.000 0.891 177 L HN 0.256 nan 8.230 nan 0.000 0.431 178 L N -0.659 120.534 121.223 -0.051 0.000 2.083 178 L HA -0.177 4.162 4.340 -0.001 0.000 0.209 178 L C 2.472 179.339 176.870 -0.006 0.000 1.083 178 L CA 1.971 56.790 54.840 -0.034 0.000 0.752 178 L CB -0.698 41.341 42.059 -0.034 0.000 0.899 178 L HN 0.159 nan 8.230 nan 0.000 0.433 179 T N -1.405 113.142 114.554 -0.011 0.000 2.684 179 T HA -0.199 4.151 4.350 -0.001 0.000 0.267 179 T C 1.790 176.468 174.700 -0.037 0.000 1.036 179 T CA 1.651 63.726 62.100 -0.042 0.000 1.148 179 T CB -0.406 68.393 68.868 -0.115 0.000 0.863 179 T HN 0.462 nan 8.240 nan 0.000 0.436 180 H N 0.714 119.818 119.070 0.056 0.000 2.387 180 H HA 0.096 4.652 4.556 -0.001 0.000 0.299 180 H C 2.614 177.930 175.328 -0.020 0.000 1.090 180 H CA 1.347 57.455 56.048 0.099 0.000 1.332 180 H CB -0.430 29.398 29.762 0.111 0.000 1.386 180 H HN 0.391 nan 8.280 nan 0.000 0.516 181 A N 1.524 124.385 122.820 0.069 0.000 1.877 181 A HA -0.189 4.131 4.320 -0.001 0.000 0.216 181 A C 2.520 180.124 177.584 0.033 0.000 1.186 181 A CA 1.334 53.363 52.037 -0.013 0.000 0.620 181 A CB -0.393 18.566 19.000 -0.068 0.000 0.822 181 A HN 0.324 nan 8.150 nan 0.000 0.443 182 R N -0.556 119.981 120.500 0.062 0.000 2.081 182 R HA -0.162 4.178 4.340 -0.001 0.000 0.235 182 R C 2.479 178.914 176.300 0.226 0.000 1.131 182 R CA 1.741 57.940 56.100 0.165 0.000 0.960 182 R CB -0.391 30.012 30.300 0.172 0.000 0.856 182 R HN 0.708 nan 8.270 nan 0.000 0.436 183 Q N 0.492 120.393 119.800 0.167 0.000 2.079 183 Q HA -0.097 4.242 4.340 -0.001 0.000 0.200 183 Q C 2.243 178.359 176.000 0.194 0.000 0.974 183 Q CA 1.121 57.043 55.803 0.198 0.000 0.840 183 Q CB -0.086 28.805 28.738 0.255 0.000 0.898 183 Q HN 0.337 nan 8.270 nan 0.000 0.430 184 L N -0.324 120.938 121.223 0.064 0.000 2.141 184 L HA -0.149 4.191 4.340 -0.001 0.000 0.209 184 L C 2.249 179.185 176.870 0.110 0.000 1.094 184 L CA 0.722 55.566 54.840 0.008 0.000 0.763 184 L CB -0.284 41.617 42.059 -0.264 0.000 0.908 184 L HN 0.209 nan 8.230 nan 0.000 0.437 185 F N 1.146 121.114 119.950 0.030 0.000 2.146 185 F HA -0.218 4.308 4.527 -0.001 0.000 0.298 185 F C 2.155 178.028 175.800 0.122 0.000 1.096 185 F CA 1.606 59.642 58.000 0.060 0.000 1.275 185 F CB -0.224 38.823 39.000 0.077 0.000 1.008 185 F HN 0.087 nan 8.300 nan 0.000 0.480 186 D N -0.011 120.449 120.400 0.099 0.000 2.117 186 D HA -0.215 4.424 4.640 -0.001 0.000 0.197 186 D C 2.126 178.476 176.300 0.084 0.000 0.987 186 D CA 1.364 55.387 54.000 0.038 0.000 0.829 186 D CB -0.730 40.177 40.800 0.179 0.000 0.961 186 D HN 0.334 nan 8.370 nan 0.000 0.460 187 F N 1.832 121.798 119.950 0.028 0.000 2.102 187 F HA -0.129 4.397 4.527 -0.001 0.000 0.298 187 F C 2.151 177.983 175.800 0.052 0.000 1.105 187 F CA 1.470 59.542 58.000 0.121 0.000 1.239 187 F CB -0.769 38.271 39.000 0.066 0.000 0.991 187 F HN -0.056 nan 8.300 nan 0.000 0.474 188 A N 0.076 122.721 122.820 -0.292 0.000 1.902 188 A HA -0.248 4.071 4.320 -0.001 0.000 0.217 188 A C 2.095 179.457 177.584 -0.370 0.000 1.181 188 A CA 2.000 53.771 52.037 -0.443 0.000 0.623 188 A CB -1.120 17.700 19.000 -0.300 0.000 0.818 188 A HN 0.532 nan 8.150 nan 0.000 0.443 189 N N -0.178 118.257 118.700 -0.441 0.000 2.250 189 N HA -0.047 4.692 4.740 -0.001 0.000 0.181 189 N C 1.396 176.762 175.510 -0.239 0.000 1.017 189 N CA 1.601 54.425 53.050 -0.377 0.000 0.866 189 N CB -0.438 37.666 38.487 -0.637 0.000 0.985 189 N HN 0.656 nan 8.380 nan 0.000 0.429 190 N N -1.721 116.840 118.700 -0.232 0.000 2.416 190 N HA -0.042 4.697 4.740 -0.001 0.000 0.177 190 N C -0.550 174.589 175.510 -0.618 0.000 1.036 190 N CA 0.457 53.286 53.050 -0.368 0.000 0.901 190 N CB 0.255 38.522 38.487 -0.367 0.000 0.976 190 N HN 0.223 nan 8.380 nan 0.000 0.444 191 Y N 1.151 121.384 120.300 -0.112 0.000 2.646 191 Y HA 0.337 4.886 4.550 -0.001 0.000 0.334 191 Y C -0.431 175.309 175.900 -0.267 0.000 1.004 191 Y CA -0.987 57.039 58.100 -0.123 0.000 1.301 191 Y CB 0.485 38.930 38.460 -0.025 0.000 1.093 191 Y HN -0.242 nan 8.280 nan 0.000 0.530 192 R N 1.921 122.333 120.500 -0.146 0.000 2.438 192 R HA 0.724 5.063 4.340 -0.001 0.000 0.287 192 R C 0.313 176.410 176.300 -0.338 0.000 1.077 192 R CA -0.326 55.596 56.100 -0.296 0.000 1.034 192 R CB 0.786 31.030 30.300 -0.094 0.000 0.993 192 R HN 0.882 nan 8.270 nan 0.000 0.459 193 G N 1.439 109.810 108.800 -0.715 0.000 2.340 193 G HA2 0.096 4.056 3.960 -0.001 0.000 0.298 193 G HA3 0.096 4.056 3.960 -0.001 0.000 0.298 193 G C -1.497 173.155 174.900 -0.413 0.000 1.498 193 G CA -1.018 43.841 45.100 -0.403 0.000 0.847 193 G HN 0.309 nan 8.290 nan 0.000 0.594 194 K N 0.658 121.020 120.400 -0.062 0.000 2.297 194 K HA 0.269 4.588 4.320 -0.001 0.000 0.286 194 K C 0.995 177.586 176.600 -0.015 0.000 1.053 194 K CA -0.624 55.691 56.287 0.047 0.000 0.940 194 K CB 1.181 33.737 32.500 0.094 0.000 1.019 194 K HN 0.673 nan 8.250 nan 0.000 0.475 195 Y N 1.792 122.021 120.300 -0.118 0.000 2.274 195 Y HA -0.216 4.333 4.550 -0.001 0.000 0.290 195 Y C 1.727 177.621 175.900 -0.010 0.000 1.145 195 Y CA 1.587 59.639 58.100 -0.080 0.000 1.203 195 Y CB -0.408 37.987 38.460 -0.109 0.000 0.984 195 Y HN 0.530 nan 8.280 nan 0.000 0.533 196 S N -1.187 113.990 115.700 -0.873 0.000 2.607 196 S HA -0.072 4.398 4.470 -0.001 0.000 0.224 196 S C 1.005 175.432 174.600 -0.287 0.000 0.969 196 S CA 0.738 58.513 58.200 -0.710 0.000 0.927 196 S CB -0.296 62.559 63.200 -0.573 0.000 0.772 196 S HN 0.491 nan 8.310 nan 0.000 0.533 197 D N 1.174 121.464 120.400 -0.183 0.000 2.346 197 D HA 0.213 4.853 4.640 -0.001 0.000 0.206 197 D C 1.599 177.849 176.300 -0.082 0.000 1.001 197 D CA 0.472 54.412 54.000 -0.100 0.000 0.871 197 D CB 0.273 41.040 40.800 -0.055 0.000 0.943 197 D HN 0.422 nan 8.370 nan 0.000 0.518 198 S N -0.150 115.500 115.700 -0.083 0.000 2.438 198 S HA 0.222 4.692 4.470 -0.001 0.000 0.220 198 S C 1.191 175.757 174.600 -0.057 0.000 1.045 198 S CA -0.061 58.116 58.200 -0.039 0.000 0.940 198 S CB 0.812 64.020 63.200 0.013 0.000 0.863 198 S HN 0.109 nan 8.310 nan 0.000 0.539 199 I N 3.764 124.299 120.570 -0.059 0.000 2.224 199 I HA 0.084 4.253 4.170 -0.001 0.000 0.293 199 I C 1.530 177.555 176.117 -0.153 0.000 1.155 199 I CA -0.168 61.089 61.300 -0.071 0.000 1.297 199 I CB 0.433 38.518 38.000 0.142 0.000 1.487 199 I HN 0.365 nan 8.210 nan 0.000 0.564 200 T N -0.704 113.743 114.554 -0.178 0.000 2.929 200 T HA -0.219 4.130 4.350 -0.001 0.000 0.271 200 T C 1.395 176.039 174.700 -0.093 0.000 1.085 200 T CA 1.370 63.386 62.100 -0.140 0.000 1.125 200 T CB -0.145 68.653 68.868 -0.117 0.000 0.874 200 T HN 0.486 nan 8.240 nan 0.000 0.494 201 D N 1.918 122.244 120.400 -0.123 0.000 2.178 201 D HA 0.036 4.676 4.640 -0.001 0.000 0.201 201 D C 2.202 178.696 176.300 0.324 0.000 0.980 201 D CA 1.092 55.136 54.000 0.075 0.000 0.842 201 D CB -0.529 40.297 40.800 0.042 0.000 0.948 201 D HN 0.545 nan 8.370 nan 0.000 0.472 202 A N -0.093 122.894 122.820 0.277 0.000 2.119 202 A HA -0.044 4.276 4.320 -0.001 0.000 0.217 202 A C 2.101 179.770 177.584 0.142 0.000 1.153 202 A CA 0.847 53.120 52.037 0.393 0.000 0.692 202 A CB -0.511 18.719 19.000 0.382 0.000 0.799 202 A HN 0.179 nan 8.150 nan 0.000 0.458 203 R N 0.366 120.859 120.500 -0.012 0.000 2.159 203 R HA -0.100 4.240 4.340 -0.001 0.000 0.237 203 R C 0.604 176.820 176.300 -0.140 0.000 1.131 203 R CA 1.672 57.722 56.100 -0.084 0.000 0.982 203 R CB -0.118 30.122 30.300 -0.101 0.000 0.868 203 R HN 0.500 nan 8.270 nan 0.000 0.453 204 N N -0.936 117.599 118.700 -0.276 0.000 2.235 204 N HA 0.041 4.781 4.740 -0.001 0.000 0.209 204 N C -0.225 174.742 175.510 -0.904 0.000 1.122 204 N CA 0.374 53.086 53.050 -0.564 0.000 0.845 204 N CB 0.622 38.708 38.487 -0.669 0.000 1.004 204 N HN 0.173 nan 8.380 nan 0.000 0.499 205 F N -1.201 118.623 119.950 -0.210 0.000 2.496 205 F HA 0.276 4.802 4.527 -0.001 0.000 0.274 205 F C -0.074 175.196 175.800 -0.884 0.000 0.924 205 F CA -0.005 57.689 58.000 -0.510 0.000 1.147 205 F CB 0.428 39.123 39.000 -0.510 0.000 0.969 205 F HN -0.181 nan 8.300 nan 0.000 0.749 206 Y N 0.851 121.080 120.300 -0.120 0.000 2.512 206 Y HA 0.645 5.195 4.550 -0.001 0.000 0.326 206 Y C 0.178 176.305 175.900 0.377 0.000 1.008 206 Y CA -1.512 56.522 58.100 -0.110 0.000 1.139 206 Y CB 0.216 38.481 38.460 -0.324 0.000 1.137 206 Y HN 0.011 nan 8.280 nan 0.000 0.630 207 A N 0.519 123.573 122.820 0.389 0.000 2.498 207 A HA 0.383 4.702 4.320 -0.001 0.000 0.239 207 A C 0.608 178.457 177.584 0.442 0.000 1.068 207 A CA -0.049 52.155 52.037 0.278 0.000 0.766 207 A CB 0.219 19.286 19.000 0.112 0.000 1.003 207 A HN 0.437 nan 8.150 nan 0.000 0.497 208 S N 0.568 116.419 115.700 0.251 0.000 2.562 208 S HA 0.404 4.874 4.470 -0.001 0.000 0.281 208 S C 1.126 175.828 174.600 0.170 0.000 1.333 208 S CA -0.020 58.344 58.200 0.273 0.000 1.052 208 S CB 1.318 64.604 63.200 0.144 0.000 0.884 208 S HN 1.076 nan 8.310 nan 0.000 0.506 209 A N 2.049 124.960 122.820 0.152 0.000 2.686 209 A HA 0.409 4.729 4.320 -0.001 0.000 0.221 209 A C 0.177 177.747 177.584 -0.023 0.000 2.249 209 A CA 0.082 52.130 52.037 0.020 0.000 1.005 209 A CB -0.048 18.930 19.000 -0.037 0.000 1.391 209 A HN 0.658 nan 8.150 nan 0.000 0.536 210 D N -0.825 119.559 120.400 -0.027 0.000 2.421 210 D HA 0.327 4.966 4.640 -0.001 0.000 0.254 210 D C 0.242 176.556 176.300 0.022 0.000 1.238 210 D CA -0.607 53.322 54.000 -0.119 0.000 0.919 210 D CB 0.655 41.282 40.800 -0.288 0.000 1.152 210 D HN 0.368 nan 8.370 nan 0.000 0.552 211 Y N 3.132 123.470 120.300 0.064 0.000 2.465 211 Y HA -0.059 4.491 4.550 -0.001 0.000 0.289 211 Y C 1.708 177.645 175.900 0.062 0.000 1.150 211 Y CA 0.818 58.959 58.100 0.069 0.000 1.293 211 Y CB -0.502 37.962 38.460 0.007 0.000 0.977 211 Y HN 0.207 nan 8.280 nan 0.000 0.556 212 R N 1.147 121.501 120.500 -0.242 0.000 2.105 212 R HA -0.175 4.164 4.340 -0.001 0.000 0.239 212 R C 1.895 178.215 176.300 0.032 0.000 1.135 212 R CA 1.626 57.558 56.100 -0.281 0.000 0.967 212 R CB -0.645 29.054 30.300 -1.003 0.000 0.861 212 R HN 0.681 nan 8.270 nan 0.000 0.442 213 D N 0.569 120.967 120.400 -0.003 0.000 2.219 213 D HA -0.172 4.467 4.640 -0.001 0.000 0.205 213 D C 1.270 177.674 176.300 0.173 0.000 0.970 213 D CA 0.890 54.848 54.000 -0.070 0.000 0.851 213 D CB -0.150 40.560 40.800 -0.150 0.000 0.943 213 D HN 0.136 nan 8.370 nan 0.000 0.488 214 E N 0.679 121.039 120.200 0.266 0.000 2.106 214 E HA -0.037 4.312 4.350 -0.001 0.000 0.192 214 E C 2.522 179.378 176.600 0.428 0.000 0.984 214 E CA 0.214 56.840 56.400 0.378 0.000 0.806 214 E CB -0.208 29.710 29.700 0.364 0.000 0.750 214 E HN 0.446 nan 8.360 nan 0.000 0.458 215 L N 0.288 121.753 121.223 0.404 0.000 2.056 215 L HA -0.148 4.192 4.340 -0.001 0.000 0.207 215 L C 2.480 179.640 176.870 0.484 0.000 1.078 215 L CA 0.727 55.850 54.840 0.472 0.000 0.749 215 L CB -0.423 41.915 42.059 0.465 0.000 0.901 215 L HN -0.008 nan 8.230 nan 0.000 0.433 216 V N -1.028 119.116 119.914 0.383 0.000 2.358 216 V HA -0.299 3.821 4.120 -0.001 0.000 0.246 216 V C 2.084 178.348 176.094 0.282 0.000 1.047 216 V CA 1.729 64.197 62.300 0.280 0.000 1.035 216 V CB -0.687 31.273 31.823 0.227 0.000 0.658 216 V HN 0.626 nan 8.190 nan 0.000 0.452 217 W N 1.157 122.530 121.300 0.121 0.000 2.335 217 W HA -0.263 4.397 4.660 -0.001 0.000 0.311 217 W C 2.452 179.078 176.519 0.178 0.000 1.213 217 W CA 1.917 59.337 57.345 0.125 0.000 1.274 217 W CB -0.155 29.414 29.460 0.181 0.000 1.148 217 W HN 0.292 nan 8.180 nan 0.000 0.498 218 A N 0.955 123.954 122.820 0.299 0.000 1.902 218 A HA -0.108 4.212 4.320 -0.001 0.000 0.217 218 A C 2.112 179.577 177.584 -0.199 0.000 1.181 218 A CA 2.617 54.710 52.037 0.093 0.000 0.623 218 A CB -1.384 17.817 19.000 0.336 0.000 0.818 218 A HN 0.367 nan 8.150 nan 0.000 0.443 219 A N -0.148 122.544 122.820 -0.213 0.000 1.902 219 A HA 0.148 4.468 4.320 -0.001 0.000 0.217 219 A C 2.508 179.939 177.584 -0.256 0.000 1.181 219 A CA 2.149 53.926 52.037 -0.434 0.000 0.623 219 A CB -1.019 17.898 19.000 -0.138 0.000 0.818 219 A HN 1.058 nan 8.150 nan 0.000 0.443 220 A N -1.474 121.231 122.820 -0.192 0.000 1.877 220 A HA -0.163 4.157 4.320 -0.001 0.000 0.216 220 A C 2.003 179.355 177.584 -0.387 0.000 1.186 220 A CA 1.371 53.247 52.037 -0.269 0.000 0.620 220 A CB -0.917 17.872 19.000 -0.352 0.000 0.822 220 A HN 0.744 nan 8.150 nan 0.000 0.443 221 W N -0.156 120.871 121.300 -0.455 0.000 2.363 221 W HA -0.044 4.616 4.660 -0.001 0.000 0.296 221 W C 2.080 178.338 176.519 -0.435 0.000 1.212 221 W CA 0.962 58.004 57.345 -0.505 0.000 1.260 221 W CB -0.257 28.815 29.460 -0.646 0.000 1.131 221 W HN 0.226 nan 8.180 nan 0.000 0.530 222 L N -1.118 119.912 121.223 -0.322 0.000 2.093 222 L HA -0.260 4.079 4.340 -0.001 0.000 0.208 222 L C 2.354 178.970 176.870 -0.423 0.000 1.085 222 L CA 1.202 55.681 54.840 -0.601 0.000 0.755 222 L CB -0.884 40.353 42.059 -1.370 0.000 0.904 222 L HN 0.076 nan 8.230 nan 0.000 0.435 223 Y N 0.805 120.902 120.300 -0.340 0.000 2.145 223 Y HA -0.275 4.274 4.550 -0.001 0.000 0.286 223 Y C 2.794 178.611 175.900 -0.138 0.000 1.145 223 Y CA 1.632 59.660 58.100 -0.122 0.000 1.148 223 Y CB -0.333 38.065 38.460 -0.103 0.000 0.981 223 Y HN -0.003 nan 8.280 nan 0.000 0.507 224 R N 0.115 120.406 120.500 -0.349 0.000 2.096 224 R HA -0.136 4.204 4.340 -0.001 0.000 0.235 224 R C 2.129 178.267 176.300 -0.270 0.000 1.127 224 R CA 1.329 57.191 56.100 -0.397 0.000 0.968 224 R CB -0.475 29.611 30.300 -0.356 0.000 0.861 224 R HN 0.432 nan 8.270 nan 0.000 0.440 225 A N -0.675 122.037 122.820 -0.180 0.000 2.123 225 A HA -0.033 4.287 4.320 -0.001 0.000 0.214 225 A C 1.758 179.270 177.584 -0.120 0.000 1.152 225 A CA 1.341 53.308 52.037 -0.118 0.000 0.728 225 A CB -0.017 18.931 19.000 -0.088 0.000 0.814 225 A HN 0.587 nan 8.150 nan 0.000 0.464 226 T N -5.755 108.714 114.554 -0.141 0.000 2.954 226 T HA 0.138 4.487 4.350 -0.001 0.000 0.252 226 T C 0.665 175.318 174.700 -0.078 0.000 0.983 226 T CA 0.736 62.801 62.100 -0.058 0.000 0.941 226 T CB -0.445 68.459 68.868 0.060 0.000 1.141 226 T HN 0.540 nan 8.240 nan 0.000 0.500 227 N N 0.881 119.445 118.700 -0.227 0.000 2.800 227 N HA -0.180 4.559 4.740 -0.001 0.000 0.250 227 N C -1.070 174.461 175.510 0.035 0.000 1.078 227 N CA 0.629 53.511 53.050 -0.280 0.000 0.804 227 N CB -0.958 37.429 38.487 -0.165 0.000 1.135 227 N HN 0.503 nan 8.380 nan 0.000 0.565 228 D N 0.779 121.285 120.400 0.177 0.000 2.365 228 D HA 0.161 4.801 4.640 -0.001 0.000 0.237 228 D C 0.979 177.473 176.300 0.323 0.000 1.190 228 D CA -0.055 54.078 54.000 0.223 0.000 0.867 228 D CB 0.038 40.972 40.800 0.224 0.000 1.050 228 D HN 0.313 nan 8.370 nan 0.000 0.491 229 N N 1.689 120.519 118.700 0.217 0.000 2.247 229 N HA -0.230 4.509 4.740 -0.001 0.000 0.189 229 N C 1.632 177.104 175.510 -0.062 0.000 1.009 229 N CA 1.097 54.188 53.050 0.069 0.000 0.872 229 N CB 0.161 38.658 38.487 0.017 0.000 0.980 229 N HN 0.383 nan 8.380 nan 0.000 0.436 230 T N -0.145 114.355 114.554 -0.090 0.000 2.759 230 T HA -0.186 4.164 4.350 -0.001 0.000 0.269 230 T C 1.433 176.013 174.700 -0.201 0.000 1.042 230 T CA 1.349 63.336 62.100 -0.189 0.000 1.140 230 T CB -0.250 68.439 68.868 -0.299 0.000 0.864 230 T HN 0.264 nan 8.240 nan 0.000 0.455 231 Y N 0.437 120.708 120.300 -0.047 0.000 2.242 231 Y HA 0.117 4.666 4.550 -0.001 0.000 0.291 231 Y C 2.092 177.878 175.900 -0.190 0.000 1.137 231 Y CA 0.616 58.647 58.100 -0.115 0.000 1.181 231 Y CB -0.735 37.672 38.460 -0.088 0.000 0.989 231 Y HN 0.217 nan 8.280 nan 0.000 0.527 232 L N 0.529 121.627 121.223 -0.208 0.000 2.056 232 L HA -0.191 4.148 4.340 -0.001 0.000 0.207 232 L C 1.629 178.337 176.870 -0.270 0.000 1.078 232 L CA 1.888 56.423 54.840 -0.508 0.000 0.749 232 L CB -0.978 40.373 42.059 -1.180 0.000 0.901 232 L HN 0.188 nan 8.230 nan 0.000 0.433 233 N N -1.609 116.970 118.700 -0.202 0.000 2.120 233 N HA -0.190 4.550 4.740 -0.001 0.000 0.188 233 N C 1.508 176.974 175.510 -0.074 0.000 1.024 233 N CA 1.727 54.703 53.050 -0.124 0.000 0.852 233 N CB -0.198 38.227 38.487 -0.102 0.000 1.003 233 N HN 0.381 nan 8.380 nan 0.000 0.424 234 T N 0.724 115.252 114.554 -0.042 0.000 2.708 234 T HA -0.103 4.246 4.350 -0.001 0.000 0.266 234 T C 2.094 176.811 174.700 0.027 0.000 1.037 234 T CA 1.194 63.309 62.100 0.025 0.000 1.146 234 T CB -0.363 68.581 68.868 0.127 0.000 0.865 234 T HN 0.328 nan 8.240 nan 0.000 0.435 235 A N 1.771 124.594 122.820 0.004 0.000 1.865 235 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 235 A C 2.214 179.807 177.584 0.014 0.000 1.191 235 A CA 1.796 53.838 52.037 0.008 0.000 0.623 235 A CB -0.590 18.369 19.000 -0.067 0.000 0.826 235 A HN 0.581 nan 8.150 nan 0.000 0.444 236 E N -0.307 119.875 120.200 -0.031 0.000 2.107 236 E HA -0.087 4.263 4.350 -0.001 0.000 0.191 236 E C 2.319 178.936 176.600 0.029 0.000 0.982 236 E CA 1.098 57.505 56.400 0.012 0.000 0.809 236 E CB -0.147 29.538 29.700 -0.025 0.000 0.756 236 E HN 0.581 nan 8.360 nan 0.000 0.459 237 S N 1.045 116.729 115.700 -0.026 0.000 2.355 237 S HA -0.090 4.379 4.470 -0.001 0.000 0.222 237 S C 1.888 176.403 174.600 -0.142 0.000 1.031 237 S CA 0.681 58.844 58.200 -0.061 0.000 0.993 237 S CB -0.039 63.121 63.200 -0.066 0.000 0.859 237 S HN 0.160 nan 8.310 nan 0.000 0.453 238 L N 0.187 121.292 121.223 -0.197 0.000 2.093 238 L HA -0.040 4.299 4.340 -0.001 0.000 0.208 238 L C 2.126 178.728 176.870 -0.446 0.000 1.085 238 L CA 1.629 56.144 54.840 -0.542 0.000 0.755 238 L CB -1.451 40.372 42.059 -0.393 0.000 0.904 238 L HN 0.376 nan 8.230 nan 0.000 0.435 239 Y N 1.527 121.700 120.300 -0.211 0.000 2.165 239 Y HA -0.272 4.277 4.550 -0.001 0.000 0.286 239 Y C 2.370 178.217 175.900 -0.089 0.000 1.155 239 Y CA 1.856 59.893 58.100 -0.105 0.000 1.164 239 Y CB 0.003 38.460 38.460 -0.006 0.000 0.978 239 Y HN 0.255 nan 8.280 nan 0.000 0.513 240 D N -0.183 120.303 120.400 0.142 0.000 2.123 240 D HA -0.169 4.470 4.640 -0.001 0.000 0.200 240 D C 2.069 178.354 176.300 -0.024 0.000 0.976 240 D CA 1.402 55.451 54.000 0.082 0.000 0.831 240 D CB -0.428 40.412 40.800 0.066 0.000 0.974 240 D HN 0.566 nan 8.370 nan 0.000 0.469 241 E N 0.086 120.207 120.200 -0.131 0.000 2.058 241 E HA -0.160 4.189 4.350 -0.001 0.000 0.194 241 E C 1.771 178.402 176.600 0.052 0.000 0.997 241 E CA 0.892 57.214 56.400 -0.130 0.000 0.801 241 E CB -0.160 29.337 29.700 -0.338 0.000 0.746 241 E HN 0.330 nan 8.360 nan 0.000 0.450 242 F N -0.303 119.637 119.950 -0.017 0.000 2.710 242 F HA 0.161 4.688 4.527 -0.001 0.000 0.298 242 F C 1.447 177.257 175.800 0.016 0.000 1.137 242 F CA -0.056 57.946 58.000 0.003 0.000 1.444 242 F CB 0.343 39.291 39.000 -0.088 0.000 1.111 242 F HN 0.203 nan 8.300 nan 0.000 0.580 243 G N 1.554 110.391 108.800 0.061 0.000 2.295 243 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.287 243 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.287 243 G C 0.618 175.427 174.900 -0.152 0.000 1.055 243 G CA -0.038 45.067 45.100 0.008 0.000 0.922 243 G HN 0.282 nan 8.290 nan 0.000 0.503 244 L N 0.394 121.189 121.223 -0.713 0.000 2.261 244 L HA -0.138 4.201 4.340 -0.001 0.000 0.216 244 L C 3.122 179.674 176.870 -0.530 0.000 1.114 244 L CA 2.562 56.723 54.840 -1.132 0.000 0.777 244 L CB -0.289 40.857 42.059 -1.522 0.000 0.910 244 L HN 0.740 nan 8.230 nan 0.000 0.440 245 Q N -0.794 118.815 119.800 -0.318 0.000 2.291 245 Q HA -0.212 4.128 4.340 -0.001 0.000 0.206 245 Q C 1.150 177.199 176.000 0.082 0.000 0.976 245 Q CA 1.940 57.775 55.803 0.053 0.000 0.875 245 Q CB -0.809 28.031 28.738 0.170 0.000 0.927 245 Q HN 0.662 nan 8.270 nan 0.000 0.450 246 N N -0.920 117.849 118.700 0.115 0.000 2.299 246 N HA 0.044 4.783 4.740 -0.001 0.000 0.187 246 N C -0.598 175.045 175.510 0.221 0.000 1.099 246 N CA -0.468 52.673 53.050 0.152 0.000 0.867 246 N CB 0.203 38.770 38.487 0.133 0.000 0.974 246 N HN 0.119 nan 8.380 nan 0.000 0.477 247 W N 1.912 123.159 121.300 -0.088 0.000 2.150 247 W HA 0.291 4.950 4.660 -0.001 0.000 0.341 247 W C 1.144 177.602 176.519 -0.102 0.000 1.276 247 W CA -0.771 56.514 57.345 -0.100 0.000 1.238 247 W CB -0.050 29.338 29.460 -0.119 0.000 1.128 247 W HN -0.119 nan 8.180 nan 0.000 0.581 248 G N 1.404 110.255 108.800 0.085 0.000 2.340 248 G HA2 0.407 4.367 3.960 -0.001 0.000 0.245 248 G HA3 0.407 4.367 3.960 -0.001 0.000 0.245 248 G C 0.355 175.233 174.900 -0.037 0.000 1.294 248 G CA -0.257 44.843 45.100 0.000 0.000 0.896 248 G HN 0.671 nan 8.290 nan 0.000 0.522 249 G N -0.056 108.654 108.800 -0.149 0.000 2.667 249 G HA2 0.672 4.631 3.960 -0.001 0.000 0.250 249 G HA3 0.672 4.631 3.960 -0.001 0.000 0.250 249 G C 0.502 175.057 174.900 -0.575 0.000 1.212 249 G CA 0.405 45.181 45.100 -0.541 0.000 0.874 249 G HN 1.842 nan 8.290 nan 0.000 0.561 250 G N -1.833 106.511 108.800 -0.761 0.000 2.340 250 G HA2 0.452 4.411 3.960 -0.001 0.000 0.527 250 G HA3 0.452 4.411 3.960 -0.001 0.000 0.527 250 G C -1.811 173.059 174.900 -0.050 0.000 1.381 250 G CA -0.276 44.693 45.100 -0.219 0.000 1.001 250 G HN 1.603 nan 8.290 nan 0.000 0.626 251 L N 1.281 122.570 121.223 0.110 0.000 2.404 251 L HA 0.851 5.190 4.340 -0.001 0.000 0.272 251 L C -0.418 176.542 176.870 0.150 0.000 0.980 251 L CA -0.487 54.451 54.840 0.164 0.000 0.836 251 L CB 1.407 43.668 42.059 0.337 0.000 1.238 251 L HN 0.970 nan 8.230 nan 0.000 0.408 252 N N 2.971 121.652 118.700 -0.033 0.000 2.927 252 N HA 0.252 4.991 4.740 -0.001 0.000 0.248 252 N C 0.224 175.289 175.510 -0.742 0.000 1.443 252 N CA -0.461 52.427 53.050 -0.270 0.000 0.870 252 N CB 1.043 39.386 38.487 -0.240 0.000 1.444 252 N HN 0.727 nan 8.380 nan 0.000 0.519 253 W N 1.061 121.742 121.300 -1.032 0.000 2.374 253 W HA -0.095 4.565 4.660 -0.001 0.000 0.288 253 W C 0.514 176.610 176.519 -0.705 0.000 1.218 253 W CA 1.575 58.194 57.345 -1.210 0.000 1.245 253 W CB -0.581 28.392 29.460 -0.812 0.000 1.126 253 W HN 0.553 nan 8.180 nan 0.000 0.545 254 D N 0.031 119.659 120.400 -1.286 0.000 2.389 254 D HA 0.097 4.737 4.640 -0.001 0.000 0.206 254 D C 0.152 176.246 176.300 -0.344 0.000 1.055 254 D CA 0.194 53.682 54.000 -0.852 0.000 0.856 254 D CB 0.039 39.972 40.800 -1.446 0.000 0.957 254 D HN 0.000 nan 8.370 nan 0.000 0.509 255 S N -0.301 115.189 115.700 -0.349 0.000 2.689 255 S HA 0.406 4.875 4.470 -0.001 0.000 0.274 255 S C -1.136 173.371 174.600 -0.155 0.000 1.176 255 S CA -0.886 57.228 58.200 -0.144 0.000 1.014 255 S CB 0.724 63.861 63.200 -0.105 0.000 1.071 255 S HN 0.225 nan 8.310 nan 0.000 0.478 256 K N 3.486 123.790 120.400 -0.160 0.000 3.123 256 K HA 0.343 4.662 4.320 -0.001 0.000 0.209 256 K C 0.540 177.028 176.600 -0.186 0.000 1.132 256 K CA -0.456 55.698 56.287 -0.222 0.000 0.992 256 K CB 0.191 32.398 32.500 -0.490 0.000 0.773 256 K HN 0.324 nan 8.250 nan 0.000 0.458 257 V N 0.531 120.387 119.914 -0.097 0.000 2.324 257 V HA -0.281 3.838 4.120 -0.001 0.000 0.250 257 V C 2.043 178.114 176.094 -0.039 0.000 1.060 257 V CA 2.274 64.526 62.300 -0.079 0.000 1.042 257 V CB -0.406 31.398 31.823 -0.032 0.000 0.650 257 V HN 0.541 nan 8.190 nan 0.000 0.450 258 S N 0.344 115.992 115.700 -0.086 0.000 2.402 258 S HA -0.084 4.386 4.470 -0.001 0.000 0.229 258 S C 2.049 176.736 174.600 0.145 0.000 1.021 258 S CA 1.193 59.378 58.200 -0.025 0.000 0.974 258 S CB -0.513 62.594 63.200 -0.156 0.000 0.800 258 S HN 0.712 nan 8.310 nan 0.000 0.484 259 G N 1.302 110.187 108.800 0.141 0.000 2.404 259 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.215 259 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.215 259 G C 1.452 176.547 174.900 0.324 0.000 1.174 259 G CA 0.858 46.148 45.100 0.316 0.000 0.780 259 G HN 0.409 nan 8.290 nan 0.000 0.537 260 V N 0.624 120.645 119.914 0.179 0.000 2.287 260 V HA -0.271 3.848 4.120 -0.001 0.000 0.248 260 V C 2.930 179.073 176.094 0.080 0.000 1.053 260 V CA 2.365 64.813 62.300 0.248 0.000 1.027 260 V CB -0.637 31.303 31.823 0.195 0.000 0.646 260 V HN 0.428 nan 8.190 nan 0.000 0.447 261 Q N -0.916 118.952 119.800 0.113 0.000 2.050 261 Q HA -0.165 4.175 4.340 -0.001 0.000 0.202 261 Q C 2.373 178.394 176.000 0.036 0.000 0.980 261 Q CA 1.796 57.640 55.803 0.069 0.000 0.840 261 Q CB -0.397 28.459 28.738 0.198 0.000 0.898 261 Q HN 0.519 nan 8.270 nan 0.000 0.424 262 V N 0.728 120.730 119.914 0.147 0.000 2.667 262 V HA -0.164 3.955 4.120 -0.001 0.000 0.252 262 V C 1.877 178.043 176.094 0.121 0.000 1.065 262 V CA 1.029 63.435 62.300 0.176 0.000 1.083 262 V CB -0.170 31.819 31.823 0.277 0.000 0.692 262 V HN 0.387 nan 8.190 nan 0.000 0.468 263 L N -0.955 120.310 121.223 0.070 0.000 2.023 263 L HA -0.102 4.238 4.340 -0.001 0.000 0.205 263 L C 2.336 179.051 176.870 -0.259 0.000 1.073 263 L CA 1.861 56.616 54.840 -0.141 0.000 0.745 263 L CB -0.171 41.664 42.059 -0.373 0.000 0.900 263 L HN 0.294 nan 8.230 nan 0.000 0.435 264 L N -0.423 120.577 121.223 -0.372 0.000 2.131 264 L HA -0.185 4.155 4.340 -0.001 0.000 0.210 264 L C 2.780 179.385 176.870 -0.442 0.000 1.092 264 L CA 0.956 55.438 54.840 -0.597 0.000 0.759 264 L CB -0.643 40.680 42.059 -1.227 0.000 0.903 264 L HN 0.312 nan 8.230 nan 0.000 0.435 265 A N 0.118 122.790 122.820 -0.246 0.000 1.902 265 A HA -0.258 4.061 4.320 -0.001 0.000 0.217 265 A C 2.406 179.996 177.584 0.011 0.000 1.181 265 A CA 1.972 54.024 52.037 0.025 0.000 0.623 265 A CB -0.377 18.684 19.000 0.101 0.000 0.818 265 A HN 0.337 nan 8.150 nan 0.000 0.443 266 K N -0.362 120.021 120.400 -0.027 0.000 2.062 266 K HA 0.028 4.347 4.320 -0.001 0.000 0.205 266 K C 1.789 178.366 176.600 -0.037 0.000 1.051 266 K CA 1.082 57.356 56.287 -0.021 0.000 0.941 266 K CB -0.248 32.240 32.500 -0.020 0.000 0.719 266 K HN 0.475 nan 8.250 nan 0.000 0.440 267 L N 0.410 121.588 121.223 -0.075 0.000 2.217 267 L HA -0.082 4.258 4.340 -0.001 0.000 0.211 267 L C 2.303 179.197 176.870 0.039 0.000 1.107 267 L CA 1.544 56.374 54.840 -0.016 0.000 0.783 267 L CB -0.299 41.750 42.059 -0.017 0.000 0.919 267 L HN 0.419 nan 8.230 nan 0.000 0.442 268 T N -5.869 108.687 114.554 0.003 0.000 2.969 268 T HA 0.043 4.393 4.350 -0.001 0.000 0.250 268 T C 1.097 175.827 174.700 0.051 0.000 1.021 268 T CA 0.288 62.409 62.100 0.035 0.000 1.003 268 T CB -0.043 68.869 68.868 0.072 0.000 1.040 268 T HN 0.379 nan 8.240 nan 0.000 0.492 269 N N 0.619 119.352 118.700 0.056 0.000 2.828 269 N HA -0.170 4.569 4.740 -0.001 0.000 0.248 269 N C -0.880 174.664 175.510 0.056 0.000 1.044 269 N CA 0.345 53.424 53.050 0.049 0.000 0.851 269 N CB -0.867 37.637 38.487 0.028 0.000 1.136 269 N HN 0.551 nan 8.380 nan 0.000 0.572 270 K N 0.945 121.401 120.400 0.094 0.000 2.368 270 K HA -0.031 4.288 4.320 -0.001 0.000 0.282 270 K C 1.107 177.710 176.600 0.005 0.000 1.035 270 K CA -0.148 56.153 56.287 0.024 0.000 0.973 270 K CB 1.096 33.568 32.500 -0.046 0.000 0.957 270 K HN 0.148 nan 8.250 nan 0.000 0.474 271 Q N 3.240 123.018 119.800 -0.037 0.000 2.124 271 Q HA -0.178 4.162 4.340 -0.001 0.000 0.202 271 Q C 1.751 177.718 176.000 -0.055 0.000 0.977 271 Q CA 2.157 57.945 55.803 -0.025 0.000 0.850 271 Q CB -0.152 28.571 28.738 -0.026 0.000 0.901 271 Q HN 0.787 nan 8.270 nan 0.000 0.429 272 A N -0.481 122.239 122.820 -0.168 0.000 1.892 272 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 272 A C 1.808 179.295 177.584 -0.163 0.000 1.188 272 A CA 1.789 53.695 52.037 -0.219 0.000 0.631 272 A CB -1.094 17.674 19.000 -0.387 0.000 0.822 272 A HN 0.560 nan 8.150 nan 0.000 0.447 273 Y N 0.238 120.510 120.300 -0.046 0.000 2.200 273 Y HA -0.131 4.418 4.550 -0.001 0.000 0.290 273 Y C 2.344 178.261 175.900 0.029 0.000 1.137 273 Y CA 1.493 59.571 58.100 -0.037 0.000 1.163 273 Y CB -0.428 37.973 38.460 -0.098 0.000 0.988 273 Y HN 0.290 nan 8.280 nan 0.000 0.518 274 K N -0.079 120.425 120.400 0.174 0.000 2.147 274 K HA -0.161 4.158 4.320 -0.001 0.000 0.205 274 K C 1.489 178.165 176.600 0.127 0.000 1.049 274 K CA 1.503 57.874 56.287 0.140 0.000 0.936 274 K CB -0.193 32.366 32.500 0.099 0.000 0.722 274 K HN 0.292 nan 8.250 nan 0.000 0.446 275 D N 0.407 120.862 120.400 0.093 0.000 2.097 275 D HA -0.112 4.528 4.640 -0.001 0.000 0.195 275 D C 1.884 178.257 176.300 0.120 0.000 0.989 275 D CA 1.406 55.458 54.000 0.087 0.000 0.827 275 D CB -0.376 40.454 40.800 0.050 0.000 0.966 275 D HN 0.143 nan 8.370 nan 0.000 0.456 276 T N 0.827 115.463 114.554 0.137 0.000 2.788 276 T HA -0.081 4.269 4.350 -0.001 0.000 0.268 276 T C 2.282 177.101 174.700 0.198 0.000 1.044 276 T CA 0.607 62.805 62.100 0.164 0.000 1.139 276 T CB -0.263 68.721 68.868 0.195 0.000 0.867 276 T HN -0.028 nan 8.240 nan 0.000 0.454 277 V N 1.694 121.732 119.914 0.206 0.000 2.307 277 V HA -0.219 3.901 4.120 -0.001 0.000 0.245 277 V C 2.700 178.939 176.094 0.242 0.000 1.045 277 V CA 1.984 64.425 62.300 0.235 0.000 1.024 277 V CB -0.738 31.216 31.823 0.218 0.000 0.651 277 V HN 0.522 nan 8.190 nan 0.000 0.449 278 Q N -0.113 119.821 119.800 0.224 0.000 2.096 278 Q HA -0.251 4.089 4.340 -0.001 0.000 0.204 278 Q C 2.420 178.533 176.000 0.189 0.000 0.982 278 Q CA 2.322 58.272 55.803 0.244 0.000 0.850 278 Q CB -0.324 28.534 28.738 0.199 0.000 0.901 278 Q HN 0.572 nan 8.270 nan 0.000 0.422 279 S N -0.725 115.078 115.700 0.172 0.000 2.370 279 S HA -0.213 4.257 4.470 -0.001 0.000 0.226 279 S C 1.762 176.475 174.600 0.188 0.000 1.033 279 S CA 1.325 59.618 58.200 0.155 0.000 1.011 279 S CB -0.573 62.710 63.200 0.137 0.000 0.852 279 S HN 0.680 nan 8.310 nan 0.000 0.457 280 Y N 2.007 122.359 120.300 0.087 0.000 2.163 280 Y HA -0.046 4.504 4.550 -0.001 0.000 0.288 280 Y C 2.233 178.170 175.900 0.062 0.000 1.136 280 Y CA 1.628 59.784 58.100 0.093 0.000 1.147 280 Y CB -0.811 37.696 38.460 0.079 0.000 0.987 280 Y HN 0.115 nan 8.280 nan 0.000 0.509 281 V N 1.160 120.981 119.914 -0.155 0.000 2.295 281 V HA -0.359 3.761 4.120 -0.001 0.000 0.246 281 V C 1.967 177.820 176.094 -0.402 0.000 1.049 281 V CA 2.374 64.406 62.300 -0.446 0.000 1.024 281 V CB -0.900 30.543 31.823 -0.634 0.000 0.648 281 V HN 0.489 nan 8.190 nan 0.000 0.447 282 N N -0.946 117.664 118.700 -0.150 0.000 2.149 282 N HA -0.250 4.489 4.740 -0.001 0.000 0.188 282 N C 1.944 177.377 175.510 -0.127 0.000 1.019 282 N CA 1.621 54.624 53.050 -0.079 0.000 0.857 282 N CB -0.286 38.234 38.487 0.055 0.000 0.997 282 N HN 0.625 nan 8.380 nan 0.000 0.426 283 Y N 2.011 122.202 120.300 -0.181 0.000 2.145 283 Y HA -0.130 4.420 4.550 -0.001 0.000 0.286 283 Y C 1.948 177.700 175.900 -0.246 0.000 1.145 283 Y CA 1.264 59.266 58.100 -0.164 0.000 1.148 283 Y CB -0.429 37.966 38.460 -0.108 0.000 0.981 283 Y HN -0.005 nan 8.280 nan 0.000 0.507 284 L N -0.340 120.548 121.223 -0.558 0.000 2.017 284 L HA -0.256 4.083 4.340 -0.001 0.000 0.208 284 L C 2.502 178.993 176.870 -0.632 0.000 1.073 284 L CA 1.748 56.209 54.840 -0.631 0.000 0.745 284 L CB -0.637 41.067 42.059 -0.591 0.000 0.894 284 L HN 0.278 nan 8.230 nan 0.000 0.432 285 I N -0.135 119.996 120.570 -0.731 0.000 2.202 285 I HA -0.291 3.878 4.170 -0.001 0.000 0.242 285 I C 1.907 177.778 176.117 -0.410 0.000 1.091 285 I CA 1.814 62.592 61.300 -0.871 0.000 1.368 285 I CB -0.368 37.151 38.000 -0.802 0.000 1.058 285 I HN 0.367 nan 8.210 nan 0.000 0.410 286 N N 0.145 118.656 118.700 -0.315 0.000 2.368 286 N HA -0.037 4.703 4.740 -0.001 0.000 0.176 286 N C 1.152 176.542 175.510 -0.201 0.000 1.021 286 N CA 1.015 53.955 53.050 -0.184 0.000 0.888 286 N CB 0.133 38.555 38.487 -0.108 0.000 0.995 286 N HN 0.368 nan 8.380 nan 0.000 0.437 287 N N -0.608 117.870 118.700 -0.371 0.000 2.360 287 N HA -0.012 4.728 4.740 -0.001 0.000 0.211 287 N C -0.251 174.982 175.510 -0.462 0.000 1.147 287 N CA -0.259 52.573 53.050 -0.364 0.000 0.866 287 N CB 0.390 38.736 38.487 -0.236 0.000 1.206 287 N HN -0.011 nan 8.380 nan 0.000 0.478 288 Q N 2.438 121.771 119.800 -0.777 0.000 2.304 288 Q HA -0.079 4.260 4.340 -0.001 0.000 0.301 288 Q C -0.054 175.846 176.000 -0.166 0.000 1.063 288 Q CA 0.378 55.906 55.803 -0.459 0.000 0.947 288 Q CB 0.429 28.925 28.738 -0.403 0.000 1.201 288 Q HN 0.224 nan 8.270 nan 0.000 0.389 289 Q N 2.793 122.567 119.800 -0.044 0.000 2.315 289 Q HA 0.019 4.359 4.340 -0.001 0.000 0.289 289 Q C -0.957 175.064 176.000 0.036 0.000 1.044 289 Q CA 0.725 56.535 55.803 0.012 0.000 0.920 289 Q CB 0.480 29.260 28.738 0.070 0.000 1.214 289 Q HN 0.585 nan 8.270 nan 0.000 0.392 290 K N 1.821 122.233 120.400 0.021 0.000 2.443 290 K HA 0.363 4.683 4.320 -0.001 0.000 0.251 290 K C -0.673 175.922 176.600 -0.007 0.000 0.972 290 K CA -0.744 55.558 56.287 0.025 0.000 0.833 290 K CB 1.825 34.341 32.500 0.026 0.000 1.317 290 K HN 0.790 nan 8.250 nan 0.000 0.441 291 T N -1.869 112.669 114.554 -0.026 0.000 2.828 291 T HA 0.154 4.503 4.350 -0.001 0.000 0.290 291 T C -1.909 172.787 174.700 -0.007 0.000 1.019 291 T CA -1.379 60.692 62.100 -0.048 0.000 1.031 291 T CB 0.710 69.547 68.868 -0.051 0.000 1.001 291 T HN 0.191 nan 8.240 nan 0.000 0.531 292 P HA -0.032 nan 4.420 nan 0.000 0.218 292 P C 0.979 178.314 177.300 0.058 0.000 1.148 292 P CA 1.166 64.281 63.100 0.025 0.000 0.822 292 P CB 0.041 31.753 31.700 0.020 0.000 0.784 293 K N -1.823 118.640 120.400 0.106 0.000 2.458 293 K HA 0.233 4.552 4.320 -0.001 0.000 0.194 293 K C 1.106 177.812 176.600 0.175 0.000 1.024 293 K CA 0.647 57.037 56.287 0.173 0.000 1.108 293 K CB -0.234 32.442 32.500 0.294 0.000 0.846 293 K HN 0.148 nan 8.250 nan 0.000 0.518 294 G N 1.467 110.313 108.800 0.076 0.000 2.179 294 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.220 294 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.220 294 G C -0.219 174.633 174.900 -0.080 0.000 0.990 294 G CA -0.346 44.768 45.100 0.024 0.000 0.646 294 G HN 0.217 nan 8.290 nan 0.000 0.517 295 L N 2.028 123.103 121.223 -0.247 0.000 2.367 295 L HA 0.653 4.992 4.340 -0.001 0.000 0.275 295 L C 0.804 177.576 176.870 -0.164 0.000 1.129 295 L CA -0.541 54.035 54.840 -0.440 0.000 0.839 295 L CB 0.594 42.023 42.059 -1.050 0.000 1.133 295 L HN 0.175 nan 8.230 nan 0.000 0.453 296 L N 5.959 127.135 121.223 -0.078 0.000 2.513 296 L HA -0.004 4.335 4.340 -0.001 0.000 0.272 296 L C -0.826 176.045 176.870 0.000 0.000 1.187 296 L CA 0.446 55.292 54.840 0.010 0.000 0.895 296 L CB -0.110 41.978 42.059 0.049 0.000 1.147 296 L HN 0.621 nan 8.230 nan 0.000 0.483 297 Y N 4.816 125.069 120.300 -0.078 0.000 2.721 297 Y HA 0.344 4.893 4.550 -0.001 0.000 0.328 297 Y C 0.708 176.577 175.900 -0.052 0.000 1.003 297 Y CA -0.300 57.757 58.100 -0.072 0.000 1.275 297 Y CB 0.598 39.014 38.460 -0.074 0.000 1.097 297 Y HN 0.540 nan 8.280 nan 0.000 0.514 298 I N 2.243 122.631 120.570 -0.303 0.000 2.703 298 I HA 0.076 4.246 4.170 -0.001 0.000 0.259 298 I C 0.030 175.922 176.117 -0.374 0.000 1.151 298 I CA 0.895 62.035 61.300 -0.267 0.000 1.470 298 I CB 0.380 38.217 38.000 -0.273 0.000 1.112 298 I HN 0.496 nan 8.210 nan 0.000 0.437 299 D N -1.272 118.799 120.400 -0.548 0.000 2.683 299 D HA 0.177 4.816 4.640 -0.001 0.000 0.246 299 D C 0.524 176.559 176.300 -0.442 0.000 1.238 299 D CA -0.532 53.254 54.000 -0.357 0.000 0.759 299 D CB 0.876 41.569 40.800 -0.179 0.000 1.349 299 D HN 0.060 nan 8.370 nan 0.000 0.426 300 M N -0.797 118.653 119.600 -0.250 0.000 2.394 300 M HA 0.274 4.753 4.480 -0.001 0.000 0.264 300 M C -0.181 175.941 176.300 -0.296 0.000 1.073 300 M CA 0.557 55.696 55.300 -0.269 0.000 1.111 300 M CB 0.039 32.437 32.600 -0.336 0.000 1.401 300 M HN 0.155 nan 8.290 nan 0.000 0.448 301 W N 2.011 123.337 121.300 0.043 0.000 2.322 301 W HA 0.543 5.203 4.660 -0.001 0.000 0.307 301 W C 1.032 177.577 176.519 0.044 0.000 1.220 301 W CA 0.036 57.440 57.345 0.098 0.000 1.210 301 W CB 0.789 30.350 29.460 0.167 0.000 1.223 301 W HN 0.458 nan 8.180 nan 0.000 0.511 302 G N 2.180 111.079 108.800 0.165 0.000 2.371 302 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.299 302 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.299 302 G C 0.770 175.462 174.900 -0.346 0.000 1.014 302 G CA 0.555 45.398 45.100 -0.428 0.000 1.097 302 G HN 0.585 nan 8.290 nan 0.000 0.512 303 T N 0.324 114.770 114.554 -0.179 0.000 2.635 303 T HA -0.152 4.198 4.350 -0.001 0.000 0.267 303 T C 2.616 177.195 174.700 -0.201 0.000 1.040 303 T CA 1.542 63.536 62.100 -0.176 0.000 1.156 303 T CB -0.115 68.632 68.868 -0.202 0.000 0.863 303 T HN 0.398 nan 8.240 nan 0.000 0.430 304 L N 0.747 121.810 121.223 -0.266 0.000 2.093 304 L HA -0.058 4.281 4.340 -0.001 0.000 0.208 304 L C 2.974 179.711 176.870 -0.222 0.000 1.085 304 L CA 0.995 55.689 54.840 -0.243 0.000 0.755 304 L CB -0.527 41.368 42.059 -0.273 0.000 0.904 304 L HN 0.139 nan 8.230 nan 0.000 0.435 305 R N -0.037 120.243 120.500 -0.367 0.000 2.091 305 R HA -0.207 4.133 4.340 -0.001 0.000 0.238 305 R C 2.110 178.319 176.300 -0.153 0.000 1.136 305 R CA 1.795 57.709 56.100 -0.310 0.000 0.959 305 R CB -0.615 29.323 30.300 -0.604 0.000 0.856 305 R HN 0.451 nan 8.270 nan 0.000 0.437 306 H N 0.162 119.180 119.070 -0.088 0.000 2.357 306 H HA 0.003 4.559 4.556 -0.001 0.000 0.301 306 H C 1.938 177.275 175.328 0.016 0.000 1.082 306 H CA 1.619 57.657 56.048 -0.016 0.000 1.342 306 H CB -0.219 29.506 29.762 -0.062 0.000 1.389 306 H HN 0.395 nan 8.280 nan 0.000 0.511 307 A N 0.994 123.865 122.820 0.085 0.000 1.930 307 A HA -0.028 4.291 4.320 -0.001 0.000 0.217 307 A C 2.662 180.312 177.584 0.109 0.000 1.175 307 A CA 1.546 53.623 52.037 0.066 0.000 0.627 307 A CB -0.657 18.331 19.000 -0.021 0.000 0.815 307 A HN 0.418 nan 8.150 nan 0.000 0.443 308 A N 0.116 123.001 122.820 0.109 0.000 1.929 308 A HA -0.132 4.188 4.320 -0.001 0.000 0.216 308 A C 1.877 179.593 177.584 0.220 0.000 1.176 308 A CA 1.674 53.819 52.037 0.182 0.000 0.628 308 A CB -0.544 18.598 19.000 0.237 0.000 0.816 308 A HN 0.515 nan 8.150 nan 0.000 0.444 309 N N 0.703 119.537 118.700 0.223 0.000 2.120 309 N HA -0.078 4.661 4.740 -0.001 0.000 0.188 309 N C 1.838 177.531 175.510 0.305 0.000 1.024 309 N CA 1.587 54.814 53.050 0.295 0.000 0.852 309 N CB -0.558 38.107 38.487 0.298 0.000 1.003 309 N HN 0.448 nan 8.380 nan 0.000 0.424 310 A N 0.785 123.755 122.820 0.250 0.000 1.902 310 A HA 0.041 4.360 4.320 -0.001 0.000 0.217 310 A C 2.320 180.004 177.584 0.166 0.000 1.181 310 A CA 1.854 54.022 52.037 0.217 0.000 0.623 310 A CB -0.904 18.188 19.000 0.153 0.000 0.818 310 A HN 0.302 nan 8.150 nan 0.000 0.443 311 A N -1.223 121.699 122.820 0.171 0.000 1.908 311 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 311 A C 2.031 179.681 177.584 0.110 0.000 1.181 311 A CA 1.710 53.828 52.037 0.135 0.000 0.627 311 A CB -0.705 18.369 19.000 0.123 0.000 0.818 311 A HN 0.640 nan 8.150 nan 0.000 0.445 312 F N 0.571 120.528 119.950 0.012 0.000 2.186 312 F HA -0.115 4.411 4.527 -0.001 0.000 0.299 312 F C 1.961 177.744 175.800 -0.028 0.000 1.090 312 F CA 0.966 58.934 58.000 -0.054 0.000 1.307 312 F CB -0.084 38.888 39.000 -0.045 0.000 1.019 312 F HN 0.126 nan 8.300 nan 0.000 0.489 313 I N 0.069 120.649 120.570 0.017 0.000 2.286 313 I HA -0.321 3.848 4.170 -0.001 0.000 0.248 313 I C 2.364 178.444 176.117 -0.060 0.000 1.115 313 I CA 1.472 62.773 61.300 0.002 0.000 1.392 313 I CB -1.164 36.970 38.000 0.223 0.000 1.065 313 I HN 0.266 nan 8.210 nan 0.000 0.418 314 M N -0.218 119.346 119.600 -0.060 0.000 2.132 314 M HA -0.200 4.279 4.480 -0.001 0.000 0.263 314 M C 2.349 178.633 176.300 -0.026 0.000 1.065 314 M CA 1.678 56.921 55.300 -0.095 0.000 1.122 314 M CB -0.344 32.196 32.600 -0.100 0.000 1.365 314 M HN 0.152 nan 8.290 nan 0.000 0.411 315 L N -0.403 120.742 121.223 -0.130 0.000 2.093 315 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 315 L C 2.554 179.356 176.870 -0.114 0.000 1.085 315 L CA 0.920 55.659 54.840 -0.168 0.000 0.755 315 L CB -0.566 41.283 42.059 -0.350 0.000 0.904 315 L HN 0.268 nan 8.230 nan 0.000 0.435 316 E N 0.126 120.159 120.200 -0.278 0.000 2.107 316 E HA -0.152 4.198 4.350 -0.001 0.000 0.191 316 E C 2.297 178.907 176.600 0.017 0.000 0.982 316 E CA 1.234 57.528 56.400 -0.176 0.000 0.809 316 E CB -0.057 29.427 29.700 -0.361 0.000 0.756 316 E HN 0.460 nan 8.360 nan 0.000 0.459 317 A N 1.492 124.353 122.820 0.068 0.000 1.930 317 A HA -0.061 4.258 4.320 -0.001 0.000 0.217 317 A C 2.417 180.121 177.584 0.201 0.000 1.175 317 A CA 1.781 53.930 52.037 0.186 0.000 0.627 317 A CB -0.485 18.686 19.000 0.285 0.000 0.815 317 A HN 0.255 nan 8.150 nan 0.000 0.443 318 A N -0.301 122.642 122.820 0.205 0.000 1.978 318 A HA -0.155 4.165 4.320 -0.001 0.000 0.220 318 A C 1.845 179.477 177.584 0.080 0.000 1.170 318 A CA 1.666 53.782 52.037 0.132 0.000 0.636 318 A CB -0.397 18.679 19.000 0.127 0.000 0.810 318 A HN 0.457 nan 8.150 nan 0.000 0.448 319 E N -0.008 120.245 120.200 0.088 0.000 2.268 319 E HA -0.086 4.263 4.350 -0.001 0.000 0.195 319 E C 1.709 178.336 176.600 0.045 0.000 0.995 319 E CA 0.629 57.069 56.400 0.066 0.000 0.836 319 E CB -0.297 29.435 29.700 0.054 0.000 0.763 319 E HN 0.704 nan 8.360 nan 0.000 0.491 320 L N -0.549 120.709 121.223 0.058 0.000 2.552 320 L HA 0.066 4.405 4.340 -0.001 0.000 0.227 320 L C 1.388 178.278 176.870 0.034 0.000 1.146 320 L CA 0.577 55.448 54.840 0.051 0.000 0.858 320 L CB -0.128 41.977 42.059 0.077 0.000 0.969 320 L HN 0.223 nan 8.230 nan 0.000 0.451 321 G N 0.271 109.085 108.800 0.023 0.000 2.141 321 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.231 321 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.231 321 G C 0.089 174.964 174.900 -0.043 0.000 0.984 321 G CA -0.471 44.627 45.100 -0.004 0.000 0.660 321 G HN 0.182 nan 8.290 nan 0.000 0.525 322 L N 1.587 122.780 121.223 -0.051 0.000 2.278 322 L HA 0.437 4.776 4.340 -0.001 0.000 0.287 322 L C 1.173 177.749 176.870 -0.489 0.000 1.072 322 L CA -0.008 54.736 54.840 -0.160 0.000 0.819 322 L CB 1.192 43.253 42.059 0.003 0.000 1.176 322 L HN 0.233 nan 8.230 nan 0.000 0.435 323 S N 2.218 117.619 115.700 -0.498 0.000 3.294 323 S HA -0.309 4.160 4.470 -0.001 0.000 0.361 323 S C 1.612 175.933 174.600 -0.465 0.000 0.935 323 S CA 0.552 58.411 58.200 -0.569 0.000 1.263 323 S CB -0.778 61.883 63.200 -0.898 0.000 0.891 323 S HN 0.882 nan 8.310 nan 0.000 0.487 324 A N 1.411 124.106 122.820 -0.208 0.000 1.884 324 A HA -0.225 4.094 4.320 -0.001 0.000 0.219 324 A C 2.355 179.959 177.584 0.034 0.000 1.197 324 A CA 2.423 54.432 52.037 -0.047 0.000 0.637 324 A CB -1.085 17.913 19.000 -0.003 0.000 0.827 324 A HN 0.677 nan 8.150 nan 0.000 0.450 325 S N 0.017 115.734 115.700 0.028 0.000 2.353 325 S HA -0.181 4.288 4.470 -0.001 0.000 0.222 325 S C 2.418 177.093 174.600 0.126 0.000 1.035 325 S CA 1.932 60.182 58.200 0.084 0.000 1.025 325 S CB -0.532 62.702 63.200 0.056 0.000 0.902 325 S HN 0.938 nan 8.310 nan 0.000 0.440 326 S N 0.741 116.502 115.700 0.101 0.000 2.383 326 S HA -0.086 4.384 4.470 -0.001 0.000 0.227 326 S C 1.730 176.537 174.600 0.345 0.000 1.026 326 S CA 0.924 59.236 58.200 0.187 0.000 0.981 326 S CB -0.742 62.546 63.200 0.146 0.000 0.818 326 S HN 0.438 nan 8.310 nan 0.000 0.472 327 Y N 2.329 122.682 120.300 0.088 0.000 2.200 327 Y HA 0.142 4.691 4.550 -0.001 0.000 0.290 327 Y C 2.774 178.738 175.900 0.107 0.000 1.137 327 Y CA 0.568 58.718 58.100 0.084 0.000 1.163 327 Y CB -0.791 37.693 38.460 0.039 0.000 0.988 327 Y HN 0.258 nan 8.280 nan 0.000 0.518 328 R N -0.399 120.255 120.500 0.256 0.000 2.075 328 R HA -0.205 4.135 4.340 -0.001 0.000 0.232 328 R C 2.244 178.669 176.300 0.208 0.000 1.126 328 R CA 1.502 57.689 56.100 0.146 0.000 0.963 328 R CB -0.319 30.053 30.300 0.121 0.000 0.858 328 R HN 0.235 nan 8.270 nan 0.000 0.435 329 Q N 0.289 120.244 119.800 0.258 0.000 2.050 329 Q HA -0.164 4.176 4.340 -0.001 0.000 0.202 329 Q C 1.671 177.782 176.000 0.186 0.000 0.980 329 Q CA 1.658 57.600 55.803 0.231 0.000 0.840 329 Q CB -0.327 28.524 28.738 0.188 0.000 0.898 329 Q HN 0.306 nan 8.270 nan 0.000 0.424 330 F N 0.149 120.162 119.950 0.105 0.000 2.134 330 F HA -0.092 4.435 4.527 -0.001 0.000 0.299 330 F C 1.995 177.822 175.800 0.045 0.000 1.097 330 F CA 1.398 59.436 58.000 0.064 0.000 1.264 330 F CB -0.525 38.494 39.000 0.031 0.000 1.001 330 F HN 0.192 nan 8.300 nan 0.000 0.479 331 A N -0.290 122.665 122.820 0.226 0.000 1.908 331 A HA -0.306 4.013 4.320 -0.001 0.000 0.218 331 A C 2.204 179.801 177.584 0.022 0.000 1.181 331 A CA 1.941 54.046 52.037 0.112 0.000 0.627 331 A CB -1.078 17.949 19.000 0.046 0.000 0.818 331 A HN 0.589 nan 8.150 nan 0.000 0.445 332 Q N -0.353 119.466 119.800 0.032 0.000 2.124 332 Q HA -0.183 4.156 4.340 -0.001 0.000 0.202 332 Q C 2.137 178.173 176.000 0.060 0.000 0.977 332 Q CA 2.309 58.143 55.803 0.051 0.000 0.850 332 Q CB -0.341 28.504 28.738 0.178 0.000 0.901 332 Q HN 0.829 nan 8.270 nan 0.000 0.429 333 T N -1.572 112.960 114.554 -0.037 0.000 2.833 333 T HA -0.146 4.203 4.350 -0.001 0.000 0.269 333 T C 1.709 176.388 174.700 -0.036 0.000 1.054 333 T CA 0.990 63.046 62.100 -0.073 0.000 1.135 333 T CB -0.082 68.617 68.868 -0.283 0.000 0.869 333 T HN 0.211 nan 8.240 nan 0.000 0.466 334 Q N 0.694 120.443 119.800 -0.086 0.000 2.049 334 Q HA 0.096 4.436 4.340 -0.001 0.000 0.198 334 Q C 2.544 178.613 176.000 0.115 0.000 0.971 334 Q CA 0.851 56.654 55.803 0.001 0.000 0.833 334 Q CB -0.414 28.330 28.738 0.009 0.000 0.896 334 Q HN 0.478 nan 8.270 nan 0.000 0.434 335 I N 1.646 122.284 120.570 0.113 0.000 2.226 335 I HA -0.217 3.953 4.170 -0.001 0.000 0.245 335 I C 1.530 177.749 176.117 0.171 0.000 1.100 335 I CA 1.251 62.652 61.300 0.169 0.000 1.374 335 I CB -1.155 36.891 38.000 0.076 0.000 1.057 335 I HN 0.130 nan 8.210 nan 0.000 0.413 336 D N -0.209 120.298 120.400 0.179 0.000 2.178 336 D HA -0.227 4.413 4.640 -0.001 0.000 0.201 336 D C 2.066 178.452 176.300 0.143 0.000 0.980 336 D CA 0.961 55.069 54.000 0.179 0.000 0.842 336 D CB -0.341 40.662 40.800 0.339 0.000 0.948 336 D HN 0.365 nan 8.370 nan 0.000 0.472 337 Y N 1.500 121.844 120.300 0.074 0.000 2.163 337 Y HA -0.136 4.414 4.550 -0.001 0.000 0.288 337 Y C 2.254 178.230 175.900 0.126 0.000 1.136 337 Y CA 1.602 59.756 58.100 0.091 0.000 1.147 337 Y CB -0.394 38.095 38.460 0.049 0.000 0.987 337 Y HN -0.049 nan 8.280 nan 0.000 0.509 338 A N 0.174 123.200 122.820 0.343 0.000 1.972 338 A HA -0.141 4.178 4.320 -0.001 0.000 0.219 338 A C 2.147 179.803 177.584 0.120 0.000 1.169 338 A CA 1.805 53.999 52.037 0.261 0.000 0.635 338 A CB -1.074 17.996 19.000 0.117 0.000 0.810 338 A HN 0.554 nan 8.150 nan 0.000 0.446 339 L N -2.196 119.003 121.223 -0.041 0.000 2.492 339 L HA 0.179 4.519 4.340 -0.001 0.000 0.223 339 L C 1.727 178.505 176.870 -0.153 0.000 1.132 339 L CA 0.744 55.453 54.840 -0.218 0.000 0.850 339 L CB -0.075 41.495 42.059 -0.814 0.000 0.966 339 L HN 0.590 nan 8.230 nan 0.000 0.454 340 G N -1.410 107.331 108.800 -0.099 0.000 2.902 340 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.215 340 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.215 340 G C 0.367 175.270 174.900 0.006 0.000 0.976 340 G CA -0.162 44.922 45.100 -0.026 0.000 0.794 340 G HN 0.140 nan 8.290 nan 0.000 0.557 341 D N 1.013 121.443 120.400 0.050 0.000 2.309 341 D HA 0.059 4.698 4.640 -0.001 0.000 0.212 341 D C 2.288 178.512 176.300 -0.127 0.000 0.968 341 D CA 1.429 55.452 54.000 0.038 0.000 0.882 341 D CB -0.260 40.620 40.800 0.133 0.000 0.918 341 D HN 0.476 nan 8.370 nan 0.000 0.503 342 G N -1.348 107.203 108.800 -0.415 0.000 2.985 342 G HA2 0.334 4.293 3.960 -0.001 0.000 0.209 342 G HA3 0.334 4.293 3.960 -0.001 0.000 0.209 342 G C 1.170 175.954 174.900 -0.192 0.000 1.165 342 G CA 0.428 45.262 45.100 -0.444 0.000 0.776 342 G HN 0.415 nan 8.290 nan 0.000 0.541 343 G N -0.094 108.607 108.800 -0.166 0.000 2.545 343 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.195 343 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.195 343 G C 0.317 175.120 174.900 -0.163 0.000 1.009 343 G CA 0.049 45.080 45.100 -0.115 0.000 0.703 343 G HN 1.040 nan 8.290 nan 0.000 0.479 344 R N -0.438 119.892 120.500 -0.283 0.000 2.692 344 R HA 0.716 5.056 4.340 -0.001 0.000 0.269 344 R C -0.720 175.249 176.300 -0.551 0.000 1.030 344 R CA 0.046 55.920 56.100 -0.376 0.000 0.882 344 R CB 0.867 30.913 30.300 -0.423 0.000 1.250 344 R HN 0.577 nan 8.270 nan 0.000 0.465 345 S N 0.451 115.904 115.700 -0.410 0.000 2.580 345 S HA 0.345 4.815 4.470 -0.001 0.000 0.274 345 S C -0.399 173.865 174.600 -0.561 0.000 1.329 345 S CA -0.492 57.528 58.200 -0.300 0.000 1.036 345 S CB 0.197 63.365 63.200 -0.054 0.000 0.919 345 S HN 0.476 nan 8.310 nan 0.000 0.515 346 F N 2.925 122.813 119.950 -0.104 0.000 2.698 346 F HA 0.371 4.897 4.527 -0.001 0.000 0.304 346 F C -0.139 175.577 175.800 -0.140 0.000 1.108 346 F CA -0.299 57.598 58.000 -0.172 0.000 1.263 346 F CB 0.824 39.707 39.000 -0.195 0.000 1.013 346 F HN 0.257 nan 8.300 nan 0.000 0.532 347 V N 0.405 120.343 119.914 0.040 0.000 2.357 347 V HA 0.191 4.311 4.120 -0.001 0.000 0.284 347 V C 0.229 176.368 176.094 0.075 0.000 1.018 347 V CA -1.343 60.967 62.300 0.017 0.000 0.841 347 V CB 0.767 32.619 31.823 0.048 0.000 0.991 347 V HN 0.164 nan 8.190 nan 0.000 0.437 348 C N 4.145 123.463 119.300 0.030 0.000 2.634 348 C HA 0.402 4.861 4.460 -0.001 0.000 0.417 348 C C 1.767 176.822 174.990 0.108 0.000 1.334 348 C CA 0.999 60.051 59.018 0.057 0.000 1.829 348 C CB -0.601 27.160 27.740 0.034 0.000 2.665 348 C HN 1.389 nan 8.230 nan 0.000 0.614 349 G N 1.791 110.650 108.800 0.099 0.000 2.155 349 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.257 349 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.257 349 G C -0.319 174.686 174.900 0.174 0.000 0.983 349 G CA 0.582 45.753 45.100 0.117 0.000 0.676 349 G HN 0.889 nan 8.290 nan 0.000 0.528 350 F N 0.085 120.039 119.950 0.006 0.000 2.591 350 F HA 0.591 5.117 4.527 -0.001 0.000 0.309 350 F C 0.773 176.561 175.800 -0.020 0.000 1.098 350 F CA 0.852 58.855 58.000 0.006 0.000 0.937 350 F CB 1.424 40.437 39.000 0.022 0.000 1.250 350 F HN 1.304 nan 8.300 nan 0.000 0.447 351 G N 2.428 110.520 108.800 -1.180 0.000 2.645 351 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.246 351 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.246 351 G C -0.687 174.014 174.900 -0.332 0.000 1.322 351 G CA -0.292 44.329 45.100 -0.798 0.000 0.898 351 G HN 1.212 nan 8.290 nan 0.000 0.573 352 S N 0.031 115.598 115.700 -0.221 0.000 2.499 352 S HA 0.374 4.844 4.470 -0.001 0.000 0.275 352 S C 1.080 175.585 174.600 -0.158 0.000 1.257 352 S CA 1.047 59.151 58.200 -0.160 0.000 1.050 352 S CB -0.406 62.721 63.200 -0.123 0.000 0.937 352 S HN 1.665 nan 8.310 nan 0.000 0.490 353 N N 3.222 121.845 118.700 -0.128 0.000 2.699 353 N HA -0.110 4.629 4.740 -0.001 0.000 0.256 353 N C -2.379 173.050 175.510 -0.135 0.000 0.993 353 N CA -0.114 52.870 53.050 -0.111 0.000 0.759 353 N CB -0.258 38.166 38.487 -0.104 0.000 0.906 353 N HN 0.453 nan 8.380 nan 0.000 0.541 354 P HA 0.246 nan 4.420 nan 0.000 0.274 354 P C -2.681 174.602 177.300 -0.027 0.000 1.256 354 P CA -0.959 62.079 63.100 -0.105 0.000 0.795 354 P CB 0.179 31.854 31.700 -0.042 0.000 1.038 355 P HA 0.082 nan 4.420 nan 0.000 0.271 355 P C 0.737 178.094 177.300 0.095 0.000 1.216 355 P CA 0.464 63.652 63.100 0.147 0.000 0.771 355 P CB 0.026 31.858 31.700 0.220 0.000 0.864 356 T N -0.639 113.969 114.554 0.089 0.000 3.040 356 T HA 0.217 4.567 4.350 -0.001 0.000 0.266 356 T C 0.671 175.410 174.700 0.064 0.000 1.005 356 T CA -0.174 61.957 62.100 0.052 0.000 0.906 356 T CB -0.026 68.850 68.868 0.014 0.000 1.082 356 T HN 0.221 nan 8.240 nan 0.000 0.531 357 R N 2.293 122.853 120.500 0.099 0.000 2.989 357 R HA 0.315 4.655 4.340 -0.001 0.000 0.340 357 R C -2.819 173.592 176.300 0.185 0.000 1.205 357 R CA -1.788 54.377 56.100 0.107 0.000 1.235 357 R CB 0.669 31.001 30.300 0.053 0.000 1.394 357 R HN 0.369 nan 8.270 nan 0.000 0.598 358 P HA -0.109 nan 4.420 nan 0.000 0.267 358 P C -0.528 177.006 177.300 0.389 0.000 1.200 358 P CA 0.070 63.337 63.100 0.279 0.000 0.772 358 P CB 0.647 32.466 31.700 0.199 0.000 0.855 359 H N 2.633 121.918 119.070 0.359 0.000 3.356 359 H HA 0.086 4.642 4.556 -0.001 0.000 0.260 359 H C -0.356 175.255 175.328 0.471 0.000 1.570 359 H CA 0.606 56.939 56.048 0.476 0.000 1.547 359 H CB -1.176 28.847 29.762 0.435 0.000 1.774 359 H HN 0.318 nan 8.280 nan 0.000 0.542 360 H N 3.962 123.166 119.070 0.223 0.000 3.096 360 H HA 0.177 4.733 4.556 -0.001 0.000 0.335 360 H C 0.417 175.659 175.328 -0.142 0.000 0.990 360 H CA -0.570 55.483 56.048 0.009 0.000 1.393 360 H CB 0.865 30.718 29.762 0.151 0.000 1.742 360 H HN 0.626 nan 8.280 nan 0.000 0.501 361 R N 1.247 121.189 120.500 -0.931 0.000 2.070 361 R HA -0.148 4.192 4.340 -0.001 0.000 0.232 361 R C 2.249 178.344 176.300 -0.342 0.000 1.138 361 R CA 2.091 57.518 56.100 -1.123 0.000 0.936 361 R CB -0.124 29.225 30.300 -1.585 0.000 0.839 361 R HN 0.612 nan 8.270 nan 0.000 0.429 362 S N 0.748 116.364 115.700 -0.141 0.000 2.383 362 S HA -0.181 4.288 4.470 -0.001 0.000 0.229 362 S C 2.111 176.964 174.600 0.423 0.000 1.030 362 S CA 1.629 59.997 58.200 0.280 0.000 1.002 362 S CB -0.475 63.004 63.200 0.466 0.000 0.829 362 S HN 0.419 nan 8.310 nan 0.000 0.467 363 S N 2.076 118.082 115.700 0.509 0.000 2.453 363 S HA -0.045 4.424 4.470 -0.001 0.000 0.231 363 S C 1.992 176.677 174.600 0.141 0.000 1.005 363 S CA 0.934 59.222 58.200 0.146 0.000 0.949 363 S CB -0.840 62.492 63.200 0.219 0.000 0.774 363 S HN 0.824 nan 8.310 nan 0.000 0.510 364 S N 0.180 116.013 115.700 0.223 0.000 2.461 364 S HA 0.108 4.578 4.470 -0.001 0.000 0.228 364 S C 0.875 175.554 174.600 0.131 0.000 1.005 364 S CA -0.049 58.277 58.200 0.211 0.000 0.942 364 S CB -1.134 62.312 63.200 0.410 0.000 0.776 364 S HN 0.575 nan 8.310 nan 0.000 0.514 365 c N 4.801 123.463 118.600 0.105 0.000 2.601 365 c HA 0.532 5.101 4.570 -0.001 0.000 0.409 365 c C -1.588 172.348 174.090 -0.255 0.000 1.293 365 c CA -1.582 54.748 56.329 0.002 0.000 2.101 365 c CB 0.569 43.111 42.510 0.054 0.000 2.639 365 c HN 0.471 nan 8.230 nan 0.000 0.592 366 P HA 0.308 nan 4.420 nan 0.000 0.277 366 P C -2.663 174.329 177.300 -0.512 0.000 1.271 366 P CA -1.234 61.246 63.100 -1.033 0.000 0.795 366 P CB -0.061 31.263 31.700 -0.627 0.000 1.101 367 P HA 0.139 nan 4.420 nan 0.000 0.274 367 P C -0.271 176.989 177.300 -0.067 0.000 1.231 367 P CA -0.097 62.945 63.100 -0.097 0.000 0.790 367 P CB 0.373 32.072 31.700 -0.003 0.000 0.951 368 A N 3.885 126.702 122.820 -0.006 0.000 2.448 368 A HA 0.250 4.570 4.320 -0.001 0.000 0.239 368 A C -0.849 176.734 177.584 -0.001 0.000 1.080 368 A CA -0.708 51.328 52.037 -0.002 0.000 0.779 368 A CB -1.190 17.818 19.000 0.014 0.000 1.026 368 A HN 0.541 nan 8.150 nan 0.000 0.499 369 P HA 0.176 nan 4.420 nan 0.000 0.253 369 P C 0.365 177.664 177.300 -0.002 0.000 1.260 369 P CA 0.649 63.751 63.100 0.003 0.000 0.800 369 P CB -0.256 31.449 31.700 0.008 0.000 1.162 370 A N 1.290 124.099 122.820 -0.018 0.000 2.498 370 A HA 0.317 4.636 4.320 -0.001 0.000 0.239 370 A C 0.848 178.423 177.584 -0.015 0.000 1.068 370 A CA 0.087 52.110 52.037 -0.023 0.000 0.766 370 A CB -0.376 18.591 19.000 -0.054 0.000 1.003 370 A HN 0.355 nan 8.150 nan 0.000 0.497 371 T N -0.690 113.865 114.554 0.002 0.000 2.919 371 T HA 0.343 4.693 4.350 -0.001 0.000 0.302 371 T C -0.089 174.617 174.700 0.009 0.000 1.031 371 T CA -0.407 61.704 62.100 0.017 0.000 1.127 371 T CB 0.602 69.490 68.868 0.033 0.000 0.952 371 T HN 0.905 nan 8.240 nan 0.000 0.540 372 c N 5.146 123.756 118.600 0.016 0.000 2.346 372 c HA 0.754 5.324 4.570 -0.001 0.000 0.326 372 c C -0.763 173.321 174.090 -0.010 0.000 1.224 372 c CA -0.270 56.064 56.329 0.009 0.000 1.408 372 c CB -0.403 42.104 42.510 -0.005 0.000 2.089 372 c HN 1.176 nan 8.230 nan 0.000 0.456 373 D N 2.307 122.716 120.400 0.014 0.000 3.057 373 D HA 0.259 4.899 4.640 -0.001 0.000 0.328 373 D C 0.330 176.614 176.300 -0.027 0.000 1.317 373 D CA -0.621 53.362 54.000 -0.029 0.000 0.973 373 D CB -0.009 40.836 40.800 0.075 0.000 1.424 373 D HN 0.440 nan 8.370 nan 0.000 0.569 374 W N -0.014 121.323 121.300 0.061 0.000 2.525 374 W HA 0.091 4.750 4.660 -0.001 0.000 0.259 374 W C 1.556 178.074 176.519 -0.003 0.000 1.253 374 W CA 0.792 58.132 57.345 -0.008 0.000 1.262 374 W CB -0.546 28.908 29.460 -0.010 0.000 1.122 374 W HN 0.385 nan 8.180 nan 0.000 0.607 375 N N -1.012 117.798 118.700 0.183 0.000 2.331 375 N HA -0.123 4.616 4.740 -0.001 0.000 0.180 375 N C 1.560 177.093 175.510 0.038 0.000 1.019 375 N CA 1.815 54.929 53.050 0.106 0.000 0.881 375 N CB -0.371 38.165 38.487 0.082 0.000 0.972 375 N HN -0.046 nan 8.380 nan 0.000 0.435 376 T N 0.268 114.837 114.554 0.026 0.000 2.777 376 T HA -0.110 4.240 4.350 -0.001 0.000 0.266 376 T C 1.505 176.152 174.700 -0.088 0.000 1.040 376 T CA 0.688 62.794 62.100 0.011 0.000 1.141 376 T CB -0.423 68.502 68.868 0.094 0.000 0.868 376 T HN 0.247 nan 8.240 nan 0.000 0.444 377 F N 2.916 122.563 119.950 -0.506 0.000 2.161 377 F HA -0.092 4.434 4.527 -0.001 0.000 0.300 377 F C 1.856 177.434 175.800 -0.370 0.000 1.089 377 F CA 1.162 58.636 58.000 -0.876 0.000 1.282 377 F CB -0.446 37.615 39.000 -1.566 0.000 1.010 377 F HN 0.044 nan 8.300 nan 0.000 0.485 378 N N 0.248 118.814 118.700 -0.223 0.000 2.521 378 N HA -0.060 4.679 4.740 -0.001 0.000 0.188 378 N C 0.233 175.633 175.510 -0.184 0.000 1.146 378 N CA 0.425 53.352 53.050 -0.205 0.000 0.893 378 N CB -0.260 38.239 38.487 0.020 0.000 0.975 378 N HN 0.194 nan 8.380 nan 0.000 0.451 379 S N 0.064 115.665 115.700 -0.165 0.000 2.549 379 S HA 0.157 4.627 4.470 -0.001 0.000 0.283 379 S C -1.557 172.969 174.600 -0.123 0.000 1.320 379 S CA -1.178 56.959 58.200 -0.105 0.000 1.058 379 S CB 0.847 64.010 63.200 -0.062 0.000 0.882 379 S HN 0.123 nan 8.310 nan 0.000 0.498 380 P HA 0.112 nan 4.420 nan 0.000 0.231 380 P C -0.489 176.771 177.300 -0.068 0.000 1.168 380 P CA 0.412 63.462 63.100 -0.082 0.000 0.779 380 P CB 0.059 31.723 31.700 -0.061 0.000 0.844 381 D N 0.819 121.186 120.400 -0.056 0.000 2.357 381 D HA 0.102 4.741 4.640 -0.001 0.000 0.242 381 D C -1.961 174.313 176.300 -0.043 0.000 1.153 381 D CA -1.592 52.381 54.000 -0.045 0.000 0.918 381 D CB -0.499 40.281 40.800 -0.032 0.000 1.181 381 D HN 0.135 nan 8.370 nan 0.000 0.435 382 P HA 0.049 nan 4.420 nan 0.000 0.272 382 P C -0.367 176.919 177.300 -0.023 0.000 1.230 382 P CA -0.501 62.581 63.100 -0.031 0.000 0.788 382 P CB 0.523 32.197 31.700 -0.043 0.000 0.949 383 N N 0.523 119.227 118.700 0.007 0.000 2.357 383 N HA -0.102 4.638 4.740 -0.001 0.000 0.257 383 N C 1.005 176.493 175.510 -0.038 0.000 1.250 383 N CA 0.189 53.257 53.050 0.031 0.000 0.862 383 N CB -0.457 38.074 38.487 0.074 0.000 1.066 383 N HN 0.460 nan 8.380 nan 0.000 0.468 384 Y N 2.752 122.935 120.300 -0.194 0.000 2.114 384 Y HA -0.222 4.327 4.550 -0.001 0.000 0.282 384 Y C 0.592 176.209 175.900 -0.472 0.000 1.165 384 Y CA 1.788 59.677 58.100 -0.351 0.000 1.148 384 Y CB 0.072 38.242 38.460 -0.484 0.000 0.972 384 Y HN 0.574 nan 8.280 nan 0.000 0.504 385 H N -0.475 118.508 119.070 -0.146 0.000 2.458 385 H HA 0.331 4.887 4.556 -0.001 0.000 0.330 385 H C -0.434 174.707 175.328 -0.312 0.000 1.111 385 H CA -0.770 55.000 56.048 -0.464 0.000 1.245 385 H CB 1.310 30.265 29.762 -1.344 0.000 1.456 385 H HN -0.174 nan 8.280 nan 0.000 0.488 386 V N 4.267 124.143 119.914 -0.063 0.000 2.508 386 V HA -0.082 4.037 4.120 -0.001 0.000 0.281 386 V C 0.693 176.868 176.094 0.134 0.000 1.041 386 V CA -0.360 61.958 62.300 0.029 0.000 1.016 386 V CB 0.850 32.703 31.823 0.051 0.000 0.984 386 V HN 0.430 nan 8.190 nan 0.000 0.478 387 L N 6.261 127.565 121.223 0.134 0.000 2.480 387 L HA 0.314 4.654 4.340 -0.001 0.000 0.243 387 L C 0.835 177.825 176.870 0.200 0.000 1.315 387 L CA 0.506 55.476 54.840 0.217 0.000 1.231 387 L CB -0.282 41.821 42.059 0.073 0.000 1.444 387 L HN 0.700 nan 8.230 nan 0.000 0.409 388 S N 2.011 117.852 115.700 0.236 0.000 2.626 388 S HA 0.324 4.794 4.470 -0.001 0.000 0.303 388 S C 1.402 176.117 174.600 0.191 0.000 1.256 388 S CA 0.595 58.915 58.200 0.200 0.000 1.069 388 S CB 0.135 63.459 63.200 0.207 0.000 0.807 388 S HN 1.002 nan 8.310 nan 0.000 0.500 389 G N 1.813 110.697 108.800 0.140 0.000 2.217 389 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.246 389 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.246 389 G C 0.216 175.072 174.900 -0.073 0.000 0.990 389 G CA -0.102 45.064 45.100 0.110 0.000 0.627 389 G HN 1.336 nan 8.290 nan 0.000 0.522 390 A N 0.376 123.045 122.820 -0.252 0.000 2.454 390 A HA 0.636 4.956 4.320 -0.001 0.000 0.260 390 A C 0.244 177.564 177.584 -0.440 0.000 1.106 390 A CA 0.278 51.873 52.037 -0.737 0.000 0.780 390 A CB 0.613 19.206 19.000 -0.677 0.000 1.044 390 A HN 1.459 nan 8.150 nan 0.000 0.498 391 L N 5.382 126.296 121.223 -0.514 0.000 2.278 391 L HA 0.479 4.819 4.340 -0.001 0.000 0.287 391 L C 0.362 177.154 176.870 -0.130 0.000 1.072 391 L CA -0.050 54.549 54.840 -0.401 0.000 0.819 391 L CB 0.887 42.544 42.059 -0.671 0.000 1.176 391 L HN 0.682 nan 8.230 nan 0.000 0.435 392 V N 3.098 122.998 119.914 -0.024 0.000 3.336 392 V HA 0.589 4.709 4.120 -0.001 0.000 0.304 392 V C 1.410 177.572 176.094 0.112 0.000 1.073 392 V CA 0.284 62.669 62.300 0.142 0.000 1.074 392 V CB 0.312 32.259 31.823 0.206 0.000 1.161 392 V HN 0.806 nan 8.190 nan 0.000 0.460 393 G N -0.007 108.937 108.800 0.241 0.000 2.476 393 G HA2 0.344 4.303 3.960 -0.001 0.000 0.218 393 G HA3 0.344 4.303 3.960 -0.001 0.000 0.218 393 G C 1.005 175.880 174.900 -0.041 0.000 1.164 393 G CA 1.171 46.334 45.100 0.104 0.000 0.768 393 G HN 2.174 nan 8.290 nan 0.000 0.560 394 G N -0.812 107.993 108.800 0.009 0.000 2.409 394 G HA2 0.121 4.080 3.960 -0.001 0.000 0.421 394 G HA3 0.121 4.080 3.960 -0.001 0.000 0.421 394 G C -3.014 171.824 174.900 -0.103 0.000 1.259 394 G CA -0.229 44.660 45.100 -0.351 0.000 1.011 394 G HN 0.455 nan 8.290 nan 0.000 0.497 395 P HA 0.375 nan 4.420 nan 0.000 0.277 395 P C -0.534 176.822 177.300 0.095 0.000 1.271 395 P CA 0.164 63.242 63.100 -0.036 0.000 0.795 395 P CB 0.789 32.473 31.700 -0.026 0.000 1.101 396 D N -0.957 119.474 120.400 0.050 0.000 2.440 396 D HA -0.021 4.618 4.640 -0.001 0.000 0.269 396 D C 1.344 177.603 176.300 -0.068 0.000 1.249 396 D CA -0.274 53.791 54.000 0.108 0.000 1.055 396 D CB -0.372 40.437 40.800 0.016 0.000 1.104 396 D HN 0.485 nan 8.370 nan 0.000 0.561 397 Q N -1.253 118.269 119.800 -0.462 0.000 2.439 397 Q HA -0.115 4.225 4.340 -0.001 0.000 0.211 397 Q C 0.005 175.806 176.000 -0.332 0.000 0.978 397 Q CA 1.010 56.317 55.803 -0.826 0.000 0.897 397 Q CB -0.398 27.697 28.738 -1.071 0.000 0.956 397 Q HN 0.295 nan 8.270 nan 0.000 0.483 398 N N 0.874 119.470 118.700 -0.172 0.000 2.282 398 N HA 0.048 4.787 4.740 -0.001 0.000 0.240 398 N C -0.881 174.629 175.510 -0.001 0.000 1.182 398 N CA 0.199 53.202 53.050 -0.078 0.000 0.874 398 N CB 0.790 39.237 38.487 -0.068 0.000 1.126 398 N HN 0.202 nan 8.380 nan 0.000 0.516 399 D N 0.062 120.483 120.400 0.035 0.000 3.012 399 D HA -0.174 4.465 4.640 -0.001 0.000 0.222 399 D C -0.439 175.950 176.300 0.150 0.000 1.167 399 D CA 0.852 54.939 54.000 0.146 0.000 0.854 399 D CB -1.697 39.220 40.800 0.194 0.000 1.107 399 D HN 0.493 nan 8.370 nan 0.000 0.421 400 N N -0.132 118.616 118.700 0.079 0.000 2.498 400 N HA 0.488 5.228 4.740 -0.001 0.000 0.287 400 N C -0.601 174.972 175.510 0.105 0.000 1.097 400 N CA -0.319 52.773 53.050 0.070 0.000 0.973 400 N CB 1.075 39.559 38.487 -0.006 0.000 1.153 400 N HN 0.150 nan 8.380 nan 0.000 0.472 401 Y N 0.941 121.225 120.300 -0.027 0.000 2.521 401 Y HA 0.425 4.974 4.550 -0.001 0.000 0.328 401 Y C -2.020 173.873 175.900 -0.012 0.000 1.151 401 Y CA -0.733 57.344 58.100 -0.038 0.000 1.054 401 Y CB 1.071 39.646 38.460 0.192 0.000 1.338 401 Y HN 0.218 nan 8.280 nan 0.000 0.453 402 V N 4.653 124.057 119.914 -0.849 0.000 2.577 402 V HA 0.239 4.359 4.120 -0.001 0.000 0.303 402 V C -1.104 174.448 176.094 -0.904 0.000 1.042 402 V CA -0.875 61.046 62.300 -0.631 0.000 0.872 402 V CB 1.787 33.425 31.823 -0.310 0.000 0.998 402 V HN 0.768 nan 8.190 nan 0.000 0.423 403 D N 3.681 123.747 120.400 -0.558 0.000 2.367 403 D HA 0.276 4.916 4.640 -0.001 0.000 0.255 403 D C -0.656 175.570 176.300 -0.124 0.000 1.300 403 D CA 0.401 54.264 54.000 -0.228 0.000 0.959 403 D CB 0.435 41.260 40.800 0.041 0.000 1.064 403 D HN 0.648 nan 8.370 nan 0.000 0.509 404 D N 2.201 122.548 120.400 -0.088 0.000 2.788 404 D HA 0.172 4.812 4.640 -0.001 0.000 0.247 404 D C 0.782 177.105 176.300 0.040 0.000 1.236 404 D CA -0.695 53.277 54.000 -0.047 0.000 0.898 404 D CB 1.170 41.925 40.800 -0.076 0.000 1.401 404 D HN 0.216 nan 8.370 nan 0.000 0.549 405 R N 1.954 122.460 120.500 0.009 0.000 2.120 405 R HA -0.122 4.217 4.340 -0.001 0.000 0.234 405 R C 1.425 177.883 176.300 0.264 0.000 1.123 405 R CA 1.891 58.046 56.100 0.093 0.000 0.975 405 R CB 0.052 30.277 30.300 -0.124 0.000 0.866 405 R HN 0.498 nan 8.270 nan 0.000 0.446 406 S N -0.564 115.196 115.700 0.100 0.000 2.527 406 S HA -0.073 4.396 4.470 -0.001 0.000 0.222 406 S C 0.553 175.273 174.600 0.200 0.000 0.985 406 S CA 0.217 58.600 58.200 0.305 0.000 0.921 406 S CB 0.180 63.481 63.200 0.169 0.000 0.772 406 S HN 0.174 nan 8.310 nan 0.000 0.529 407 D N 1.784 122.240 120.400 0.092 0.000 2.483 407 D HA 0.128 4.768 4.640 -0.001 0.000 0.220 407 D C 0.804 177.090 176.300 -0.023 0.000 1.173 407 D CA -0.780 53.193 54.000 -0.046 0.000 0.964 407 D CB -0.031 40.782 40.800 0.021 0.000 1.046 407 D HN 0.519 nan 8.370 nan 0.000 0.517 408 Y N 1.469 121.747 120.300 -0.036 0.000 2.293 408 Y HA -0.086 4.463 4.550 -0.001 0.000 0.291 408 Y C 1.860 177.804 175.900 0.074 0.000 1.137 408 Y CA 0.191 58.231 58.100 -0.100 0.000 1.202 408 Y CB -0.915 37.385 38.460 -0.266 0.000 0.990 408 Y HN 0.101 nan 8.280 nan 0.000 0.537 409 V N 1.446 121.300 119.914 -0.099 0.000 2.255 409 V HA -0.319 3.800 4.120 -0.001 0.000 0.247 409 V C 2.467 178.466 176.094 -0.159 0.000 1.051 409 V CA 2.544 64.727 62.300 -0.194 0.000 1.018 409 V CB -0.726 30.632 31.823 -0.774 0.000 0.641 409 V HN 0.557 nan 8.190 nan 0.000 0.445 410 H N -0.903 118.231 119.070 0.107 0.000 2.497 410 H HA 0.109 4.665 4.556 -0.001 0.000 0.282 410 H C 1.342 176.869 175.328 0.332 0.000 1.003 410 H CA 1.032 57.210 56.048 0.217 0.000 1.307 410 H CB 0.003 29.901 29.762 0.227 0.000 1.437 410 H HN 0.377 nan 8.280 nan 0.000 0.544 411 N N 0.964 119.896 118.700 0.385 0.000 2.238 411 N HA -0.003 4.736 4.740 -0.001 0.000 0.222 411 N C 0.131 175.873 175.510 0.387 0.000 1.133 411 N CA -0.016 53.270 53.050 0.393 0.000 0.854 411 N CB 0.673 39.372 38.487 0.354 0.000 1.041 411 N HN 0.290 nan 8.380 nan 0.000 0.510 412 E N 0.770 121.201 120.200 0.385 0.000 2.383 412 E HA 0.248 4.597 4.350 -0.001 0.000 0.264 412 E C -0.464 176.317 176.600 0.300 0.000 1.050 412 E CA -0.459 56.159 56.400 0.363 0.000 0.896 412 E CB 0.712 30.637 29.700 0.374 0.000 0.982 412 E HN 0.025 nan 8.360 nan 0.000 0.424 413 V N 0.334 120.328 119.914 0.134 0.000 2.876 413 V HA 1.023 5.142 4.120 -0.001 0.000 0.312 413 V C -0.628 175.381 176.094 -0.140 0.000 1.085 413 V CA -0.410 61.889 62.300 -0.001 0.000 0.945 413 V CB 1.232 33.080 31.823 0.041 0.000 1.017 413 V HN 0.913 nan 8.190 nan 0.000 0.428 414 A N 1.857 124.541 122.820 -0.226 0.000 2.608 414 A HA 0.727 5.046 4.320 -0.001 0.000 0.292 414 A C 0.649 178.379 177.584 0.243 0.000 1.066 414 A CA 0.070 52.068 52.037 -0.066 0.000 0.676 414 A CB 1.160 19.874 19.000 -0.477 0.000 1.277 414 A HN 1.882 nan 8.150 nan 0.000 0.413 415 T N -1.312 113.409 114.554 0.278 0.000 2.720 415 T HA -0.195 4.155 4.350 -0.001 0.000 0.268 415 T C 1.059 176.018 174.700 0.431 0.000 1.037 415 T CA 2.279 64.588 62.100 0.348 0.000 1.144 415 T CB -0.618 68.388 68.868 0.230 0.000 0.864 415 T HN 0.816 nan 8.240 nan 0.000 0.444 416 D N -0.088 120.529 120.400 0.362 0.000 2.312 416 D HA -0.116 4.524 4.640 -0.001 0.000 0.211 416 D C 1.634 178.279 176.300 0.576 0.000 0.964 416 D CA 0.559 54.864 54.000 0.509 0.000 0.877 416 D CB -0.706 40.369 40.800 0.458 0.000 0.924 416 D HN 0.397 nan 8.370 nan 0.000 0.515 417 Y N 0.788 121.236 120.300 0.247 0.000 2.263 417 Y HA 0.027 4.576 4.550 -0.001 0.000 0.292 417 Y C 1.664 177.642 175.900 0.129 0.000 1.130 417 Y CA 0.683 58.861 58.100 0.131 0.000 1.179 417 Y CB -0.779 37.695 38.460 0.023 0.000 0.998 417 Y HN 0.016 nan 8.280 nan 0.000 0.532 418 N N -0.607 118.313 118.700 0.366 0.000 2.412 418 N HA 0.076 4.815 4.740 -0.001 0.000 0.184 418 N C 1.762 177.574 175.510 0.503 0.000 1.101 418 N CA 0.634 53.912 53.050 0.380 0.000 0.881 418 N CB -0.057 38.572 38.487 0.236 0.000 0.969 418 N HN 0.240 nan 8.380 nan 0.000 0.459 419 A N 0.358 123.455 122.820 0.461 0.000 1.835 419 A HA 0.006 4.326 4.320 -0.001 0.000 0.215 419 A C 2.314 179.964 177.584 0.110 0.000 1.199 419 A CA 1.818 54.021 52.037 0.277 0.000 0.615 419 A CB -1.344 17.758 19.000 0.170 0.000 0.838 419 A HN 0.316 nan 8.150 nan 0.000 0.444 420 G N -1.320 107.568 108.800 0.147 0.000 2.440 420 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.218 420 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.218 420 G C 1.471 176.391 174.900 0.035 0.000 1.154 420 G CA 1.242 46.354 45.100 0.020 0.000 0.767 420 G HN 0.464 nan 8.290 nan 0.000 0.552 421 F N 1.278 121.235 119.950 0.012 0.000 2.065 421 F HA -0.164 4.362 4.527 -0.001 0.000 0.298 421 F C 2.765 178.541 175.800 -0.040 0.000 1.112 421 F CA 2.355 60.353 58.000 -0.004 0.000 1.212 421 F CB -0.528 38.482 39.000 0.018 0.000 0.975 421 F HN 0.287 nan 8.300 nan 0.000 0.476 422 Q N -0.323 119.447 119.800 -0.050 0.000 2.084 422 Q HA -0.171 4.168 4.340 -0.001 0.000 0.202 422 Q C 2.271 178.131 176.000 -0.234 0.000 0.978 422 Q CA 2.030 57.729 55.803 -0.175 0.000 0.844 422 Q CB -0.221 28.593 28.738 0.127 0.000 0.898 422 Q HN 0.441 nan 8.270 nan 0.000 0.426 423 S N 0.183 115.733 115.700 -0.249 0.000 2.402 423 S HA -0.106 4.364 4.470 -0.001 0.000 0.229 423 S C 1.883 176.318 174.600 -0.274 0.000 1.021 423 S CA 0.856 58.847 58.200 -0.348 0.000 0.974 423 S CB -0.221 62.416 63.200 -0.939 0.000 0.800 423 S HN 0.560 nan 8.310 nan 0.000 0.484 424 A N 1.335 124.017 122.820 -0.230 0.000 1.930 424 A HA 0.052 4.371 4.320 -0.001 0.000 0.217 424 A C 2.068 179.439 177.584 -0.355 0.000 1.175 424 A CA 0.953 52.909 52.037 -0.135 0.000 0.627 424 A CB -0.608 18.366 19.000 -0.043 0.000 0.815 424 A HN 0.445 nan 8.150 nan 0.000 0.443 425 L N -0.754 120.212 121.223 -0.427 0.000 2.046 425 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 425 L C 3.099 179.728 176.870 -0.402 0.000 1.077 425 L CA 1.059 55.626 54.840 -0.455 0.000 0.747 425 L CB -0.520 41.230 42.059 -0.514 0.000 0.896 425 L HN 0.430 nan 8.230 nan 0.000 0.432 426 A N -0.018 122.563 122.820 -0.398 0.000 1.933 426 A HA -0.190 4.129 4.320 -0.001 0.000 0.218 426 A C 2.519 179.925 177.584 -0.297 0.000 1.175 426 A CA 1.790 53.614 52.037 -0.355 0.000 0.628 426 A CB -0.691 18.133 19.000 -0.294 0.000 0.814 426 A HN 0.413 nan 8.150 nan 0.000 0.444 427 A N -0.242 122.237 122.820 -0.567 0.000 1.898 427 A HA -0.019 4.300 4.320 -0.001 0.000 0.216 427 A C 2.159 179.373 177.584 -0.616 0.000 1.181 427 A CA 1.443 52.867 52.037 -1.021 0.000 0.620 427 A CB -0.603 17.431 19.000 -1.610 0.000 0.819 427 A HN 0.470 nan 8.150 nan 0.000 0.442 428 L N -0.479 120.389 121.223 -0.593 0.000 2.083 428 L HA -0.165 4.175 4.340 -0.001 0.000 0.209 428 L C 2.501 179.159 176.870 -0.352 0.000 1.083 428 L CA 1.047 55.501 54.840 -0.644 0.000 0.752 428 L CB -0.562 40.989 42.059 -0.845 0.000 0.899 428 L HN 0.250 nan 8.230 nan 0.000 0.433 429 V N 0.021 119.800 119.914 -0.224 0.000 2.358 429 V HA -0.248 3.872 4.120 -0.001 0.000 0.246 429 V C 2.740 178.827 176.094 -0.011 0.000 1.047 429 V CA 1.709 63.980 62.300 -0.047 0.000 1.035 429 V CB -0.826 30.968 31.823 -0.048 0.000 0.658 429 V HN 0.473 nan 8.190 nan 0.000 0.452 430 A N -0.306 122.494 122.820 -0.033 0.000 1.972 430 A HA -0.109 4.211 4.320 -0.001 0.000 0.219 430 A C 2.077 179.694 177.584 0.054 0.000 1.169 430 A CA 1.521 53.594 52.037 0.060 0.000 0.635 430 A CB -0.485 18.627 19.000 0.186 0.000 0.810 430 A HN 0.541 nan 8.150 nan 0.000 0.446 431 L N -1.263 119.939 121.223 -0.034 0.000 2.599 431 L HA 0.183 4.522 4.340 -0.001 0.000 0.230 431 L C 1.626 178.636 176.870 0.234 0.000 1.141 431 L CA 0.493 55.344 54.840 0.019 0.000 0.877 431 L CB -0.225 41.646 42.059 -0.313 0.000 1.009 431 L HN 0.566 nan 8.230 nan 0.000 0.447 432 G N -1.392 107.527 108.800 0.197 0.000 2.143 432 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.248 432 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.248 432 G C 0.072 175.171 174.900 0.331 0.000 0.991 432 G CA -0.254 44.982 45.100 0.228 0.000 0.689 432 G HN 0.137 nan 8.290 nan 0.000 0.522 433 Y N 0.000 120.337 120.300 0.062 0.000 2.660 433 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 433 Y CA 0.000 58.178 58.100 0.129 0.000 1.940 433 Y CB 0.000 38.458 38.460 -0.004 0.000 1.050 433 Y HN 0.000 nan 8.280 nan 0.000 0.758