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 1lnl_1_B DATA FIRST_RESID -3 DATA SEQUENCE GHRXNLVRKS VRNLSPAERA SLVAALKSLQ EDSSADGFQS LASFHAQPPL DATA SEQUENCE cPAPAANKAF AcCVHGMATF PEWHRLYTVQ FEDALRRHGS VVGIPYWDTV DATA SEQUENCE VPQEDLPAFF NDEIWDDALF HANFTNPFNG ADIDFNHQKI ARDINVDKLA DATA SEQUENCE KEGPKGYDTW SFKQYIYALE QEDYcDFEVQ FEIAHNAIHA WVGGTEEYSM DATA SEQUENCE GHLHYASYDP VFILHHSNTD RLFALWQELQ KFRGHDPNEV NcALEMMREP DATA SEQUENCE LKPFSFGAPY NLNPTTKEHS KPEDTFDYKG HFHYEYDHLE LQGMNVQRLH DATA SEQUENCE DYINQQKEAD RVFAGFLLEG IGTSAHLDFS IcAIDGEcTH AGYFDVLGGS DATA SEQUENCE LETPWQFDRL YKYEITDVLE SKGLDVHDVF DIKITQTSWD NEDISTDRFP DATA SEQUENCE PPSVIYVPK 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 -3 G HA2 0.000 nan 3.960 nan 0.000 0.244 -3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -3 G C 0.000 174.975 174.900 0.126 0.000 0.946 -3 G CA 0.000 45.185 45.100 0.141 0.000 0.502 -2 H N 0.060 119.129 119.070 -0.002 0.000 3.309 -2 H HA 0.649 5.205 4.556 -0.000 0.000 0.195 -2 H C 0.985 176.188 175.328 -0.208 0.000 1.202 -2 H CA 0.256 56.245 56.048 -0.099 0.000 1.470 -2 H CB 0.482 30.211 29.762 -0.055 0.000 1.411 -2 H HN 0.132 nan 8.280 nan 0.000 0.477 2 L N 0.764 122.051 121.223 0.107 0.000 2.518 2 L HA 0.537 4.877 4.340 -0.000 0.000 0.257 2 L C -1.280 175.644 176.870 0.089 0.000 0.980 2 L CA -0.683 54.210 54.840 0.089 0.000 0.837 2 L CB 2.125 44.248 42.059 0.106 0.000 1.410 2 L HN 0.353 nan 8.230 nan 0.000 0.410 3 V N 2.791 122.737 119.914 0.054 0.000 2.350 3 V HA 0.554 4.674 4.120 -0.000 0.000 0.285 3 V C -0.376 175.736 176.094 0.030 0.000 1.014 3 V CA -0.419 61.909 62.300 0.046 0.000 0.831 3 V CB 1.268 33.116 31.823 0.041 0.000 1.000 3 V HN 0.669 nan 8.190 nan 0.000 0.433 4 R N 6.031 126.534 120.500 0.005 0.000 2.316 4 R HA 0.384 4.724 4.340 -0.000 0.000 0.314 4 R C -0.142 176.282 176.300 0.206 0.000 1.069 4 R CA -0.199 55.931 56.100 0.050 0.000 0.959 4 R CB 0.850 31.134 30.300 -0.028 0.000 0.987 4 R HN 0.683 nan 8.270 nan 0.000 0.446 5 K N 0.925 121.353 120.400 0.047 0.000 2.109 5 K HA 0.188 4.508 4.320 -0.000 0.000 0.243 5 K C 0.272 176.510 176.600 -0.604 0.000 1.006 5 K CA -0.622 55.629 56.287 -0.060 0.000 0.917 5 K CB 1.155 33.589 32.500 -0.110 0.000 1.081 5 K HN 0.353 nan 8.250 nan 0.000 0.468 6 S N 0.037 115.194 115.700 -0.904 0.000 2.572 6 S HA -0.023 4.447 4.470 -0.000 0.000 0.279 6 S C 0.752 174.995 174.600 -0.594 0.000 1.341 6 S CA -0.584 56.868 58.200 -1.247 0.000 1.043 6 S CB 0.821 63.691 63.200 -0.550 0.000 0.887 6 S HN 0.419 nan 8.310 nan 0.000 0.516 7 V N 5.422 125.057 119.914 -0.465 0.000 3.570 7 V HA 0.182 4.302 4.120 -0.000 0.000 0.293 7 V C 1.378 177.361 176.094 -0.185 0.000 1.237 7 V CA 1.173 63.259 62.300 -0.357 0.000 1.226 7 V CB -1.306 30.357 31.823 -0.267 0.000 1.028 7 V HN 0.873 nan 8.190 nan 0.000 0.430 8 R N -1.132 119.280 120.500 -0.147 0.000 2.756 8 R HA 0.256 4.596 4.340 -0.000 0.000 0.170 8 R C 0.980 177.251 176.300 -0.049 0.000 0.800 8 R CA -0.022 56.047 56.100 -0.051 0.000 1.052 8 R CB -0.054 30.250 30.300 0.007 0.000 1.437 8 R HN 0.245 nan 8.270 nan 0.000 0.607 9 N N 2.079 120.739 118.700 -0.068 0.000 2.715 9 N HA 0.072 4.812 4.740 -0.000 0.000 0.254 9 N C -0.771 174.707 175.510 -0.053 0.000 1.306 9 N CA 0.516 53.544 53.050 -0.038 0.000 0.956 9 N CB 0.085 38.562 38.487 -0.016 0.000 1.296 9 N HN 0.142 nan 8.380 nan 0.000 0.512 10 L N 0.474 121.663 121.223 -0.056 0.000 2.275 10 L HA 0.180 4.520 4.340 -0.000 0.000 0.288 10 L C 0.736 177.616 176.870 0.017 0.000 1.046 10 L CA -0.428 54.387 54.840 -0.042 0.000 0.805 10 L CB 1.436 43.459 42.059 -0.060 0.000 1.193 10 L HN 0.002 nan 8.230 nan 0.000 0.426 11 S N 4.383 120.099 115.700 0.026 0.000 2.489 11 S HA 0.295 4.765 4.470 -0.000 0.000 0.277 11 S C -1.630 173.015 174.600 0.075 0.000 1.230 11 S CA -1.289 56.938 58.200 0.044 0.000 1.053 11 S CB 1.314 64.536 63.200 0.037 0.000 0.955 11 S HN 0.381 nan 8.310 nan 0.000 0.488 12 P HA -0.203 nan 4.420 nan 0.000 0.218 12 P C 1.346 178.721 177.300 0.124 0.000 1.150 12 P CA 1.987 65.153 63.100 0.110 0.000 0.841 12 P CB 0.005 31.741 31.700 0.060 0.000 0.784 13 A N -0.605 122.268 122.820 0.089 0.000 1.902 13 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 13 A C 2.155 179.810 177.584 0.120 0.000 1.181 13 A CA 1.749 53.845 52.037 0.098 0.000 0.623 13 A CB -1.024 18.019 19.000 0.071 0.000 0.818 13 A HN 0.201 nan 8.150 nan 0.000 0.443 14 E N -0.924 119.338 120.200 0.102 0.000 2.015 14 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 14 E C 2.339 179.019 176.600 0.134 0.000 0.991 14 E CA 1.038 57.493 56.400 0.092 0.000 0.802 14 E CB -0.227 29.503 29.700 0.051 0.000 0.759 14 E HN 0.594 nan 8.360 nan 0.000 0.447 15 R N 0.963 121.567 120.500 0.172 0.000 2.113 15 R HA -0.248 4.092 4.340 -0.000 0.000 0.244 15 R C 2.280 178.708 176.300 0.213 0.000 1.142 15 R CA 1.671 57.931 56.100 0.267 0.000 0.953 15 R CB -0.364 30.110 30.300 0.291 0.000 0.860 15 R HN 0.163 nan 8.270 nan 0.000 0.438 16 A N 0.119 123.110 122.820 0.286 0.000 1.884 16 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 16 A C 2.255 179.943 177.584 0.173 0.000 1.197 16 A CA 2.308 54.555 52.037 0.350 0.000 0.637 16 A CB -1.162 18.056 19.000 0.364 0.000 0.827 16 A HN 0.558 nan 8.150 nan 0.000 0.450 17 S N -0.733 115.055 115.700 0.147 0.000 2.382 17 S HA -0.095 4.375 4.470 -0.000 0.000 0.228 17 S C 1.853 176.513 174.600 0.101 0.000 1.027 17 S CA 1.544 59.811 58.200 0.112 0.000 0.991 17 S CB -0.488 62.774 63.200 0.103 0.000 0.823 17 S HN 0.470 nan 8.310 nan 0.000 0.469 18 L N 0.751 122.055 121.223 0.134 0.000 2.240 18 L HA 0.068 4.408 4.340 -0.000 0.000 0.211 18 L C 2.273 179.260 176.870 0.195 0.000 1.106 18 L CA 0.425 55.403 54.840 0.229 0.000 0.793 18 L CB -0.276 41.971 42.059 0.314 0.000 0.927 18 L HN 0.207 nan 8.230 nan 0.000 0.446 19 V N -0.241 119.630 119.914 -0.072 0.000 2.719 19 V HA -0.093 4.027 4.120 -0.000 0.000 0.252 19 V C 2.431 178.305 176.094 -0.366 0.000 1.065 19 V CA 1.535 63.597 62.300 -0.397 0.000 1.086 19 V CB -0.290 30.836 31.823 -1.162 0.000 0.700 19 V HN 0.442 nan 8.190 nan 0.000 0.467 20 A N -0.451 122.253 122.820 -0.192 0.000 2.044 20 A HA 0.347 4.667 4.320 -0.000 0.000 0.213 20 A C 2.306 179.833 177.584 -0.094 0.000 1.169 20 A CA 1.136 53.085 52.037 -0.146 0.000 0.724 20 A CB -0.297 18.687 19.000 -0.025 0.000 0.840 20 A HN 0.450 nan 8.150 nan 0.000 0.463 21 A N 0.123 122.924 122.820 -0.031 0.000 1.845 21 A HA -0.076 4.244 4.320 -0.000 0.000 0.215 21 A C 2.079 179.612 177.584 -0.084 0.000 1.195 21 A CA 1.699 53.743 52.037 0.010 0.000 0.616 21 A CB -0.772 18.269 19.000 0.068 0.000 0.832 21 A HN 0.574 nan 8.150 nan 0.000 0.443 22 L N -0.210 120.904 121.223 -0.182 0.000 2.131 22 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 22 L C 2.392 179.038 176.870 -0.374 0.000 1.092 22 L CA 2.178 56.788 54.840 -0.382 0.000 0.759 22 L CB -0.326 41.252 42.059 -0.803 0.000 0.903 22 L HN 0.453 nan 8.230 nan 0.000 0.435 23 K N -1.299 118.911 120.400 -0.316 0.000 2.074 23 K HA -0.220 4.099 4.320 -0.000 0.000 0.209 23 K C 2.310 178.796 176.600 -0.191 0.000 1.048 23 K CA 1.734 57.852 56.287 -0.281 0.000 0.926 23 K CB -0.182 32.152 32.500 -0.275 0.000 0.713 23 K HN 0.351 nan 8.250 nan 0.000 0.444 24 S N 0.522 116.164 115.700 -0.097 0.000 2.371 24 S HA -0.096 4.374 4.470 -0.000 0.000 0.224 24 S C 1.808 176.461 174.600 0.088 0.000 1.029 24 S CA 0.800 59.050 58.200 0.084 0.000 0.978 24 S CB -0.229 63.135 63.200 0.273 0.000 0.833 24 S HN 0.333 nan 8.310 nan 0.000 0.466 25 L N 2.224 123.308 121.223 -0.232 0.000 2.012 25 L HA -0.053 4.287 4.340 -0.000 0.000 0.210 25 L C 2.161 178.918 176.870 -0.189 0.000 1.073 25 L CA 1.945 56.477 54.840 -0.514 0.000 0.748 25 L CB -1.013 40.801 42.059 -0.408 0.000 0.891 25 L HN 0.352 nan 8.230 nan 0.000 0.431 26 Q N -0.582 119.062 119.800 -0.261 0.000 2.500 26 Q HA -0.107 4.233 4.340 -0.000 0.000 0.213 26 Q C 0.552 176.484 176.000 -0.114 0.000 0.974 26 Q CA 0.739 56.359 55.803 -0.304 0.000 0.918 26 Q CB 0.049 28.468 28.738 -0.531 0.000 0.980 26 Q HN 0.587 nan 8.270 nan 0.000 0.505 27 E N 0.689 120.858 120.200 -0.050 0.000 2.496 27 E HA 0.041 4.391 4.350 -0.000 0.000 0.200 27 E C -0.623 176.018 176.600 0.068 0.000 1.016 27 E CA 0.064 56.467 56.400 0.005 0.000 0.962 27 E CB 0.306 30.007 29.700 0.001 0.000 1.071 27 E HN 0.112 nan 8.360 nan 0.000 0.457 28 D N 1.273 121.734 120.400 0.101 0.000 2.467 28 D HA 0.017 4.657 4.640 -0.000 0.000 0.220 28 D C 1.218 177.581 176.300 0.105 0.000 1.103 28 D CA -0.177 53.913 54.000 0.150 0.000 0.886 28 D CB 0.828 41.752 40.800 0.206 0.000 1.025 28 D HN -0.077 nan 8.370 nan 0.000 0.514 29 S N 2.136 117.886 115.700 0.082 0.000 2.469 29 S HA -0.116 4.354 4.470 -0.000 0.000 0.238 29 S C 1.142 175.779 174.600 0.062 0.000 0.998 29 S CA 0.413 58.654 58.200 0.068 0.000 0.957 29 S CB -0.309 62.922 63.200 0.051 0.000 0.764 29 S HN 0.422 nan 8.310 nan 0.000 0.514 30 S N 0.798 116.537 115.700 0.064 0.000 2.580 30 S HA 0.518 4.988 4.470 -0.000 0.000 0.266 30 S C 1.541 176.167 174.600 0.043 0.000 1.354 30 S CA -0.109 58.121 58.200 0.051 0.000 1.008 30 S CB 0.635 63.872 63.200 0.061 0.000 0.898 30 S HN 0.752 nan 8.310 nan 0.000 0.555 31 A N 1.495 124.335 122.820 0.032 0.000 1.958 31 A HA -0.120 4.200 4.320 -0.000 0.000 0.221 31 A C 1.607 179.197 177.584 0.011 0.000 1.178 31 A CA 2.108 54.166 52.037 0.035 0.000 0.642 31 A CB -1.015 18.007 19.000 0.038 0.000 0.816 31 A HN 0.910 nan 8.150 nan 0.000 0.453 32 D N -0.760 119.649 120.400 0.016 0.000 2.561 32 D HA 0.357 4.997 4.640 -0.000 0.000 0.232 32 D C 0.581 176.868 176.300 -0.021 0.000 1.198 32 D CA 0.514 54.498 54.000 -0.027 0.000 0.826 32 D CB -0.379 40.434 40.800 0.022 0.000 0.992 32 D HN 0.354 nan 8.370 nan 0.000 0.490 33 G N -0.791 108.008 108.800 -0.002 0.000 2.462 33 G HA2 0.213 4.173 3.960 -0.000 0.000 0.319 33 G HA3 0.213 4.173 3.960 -0.000 0.000 0.319 33 G C 0.541 175.460 174.900 0.032 0.000 1.171 33 G CA -0.682 44.441 45.100 0.037 0.000 0.920 33 G HN 0.151 nan 8.290 nan 0.000 0.499 34 F N 0.366 120.291 119.950 -0.043 0.000 2.008 34 F HA -0.250 4.277 4.527 -0.000 0.000 0.297 34 F C 2.973 178.788 175.800 0.025 0.000 1.156 34 F CA 2.636 60.635 58.000 -0.002 0.000 1.191 34 F CB -0.172 38.788 39.000 -0.068 0.000 0.955 34 F HN 0.472 nan 8.300 nan 0.000 0.497 35 Q N 0.260 120.262 119.800 0.336 0.000 2.242 35 Q HA -0.204 4.136 4.340 -0.000 0.000 0.211 35 Q C 2.154 178.218 176.000 0.106 0.000 0.992 35 Q CA 2.348 58.337 55.803 0.309 0.000 0.889 35 Q CB -0.488 28.433 28.738 0.305 0.000 0.913 35 Q HN 0.478 nan 8.270 nan 0.000 0.422 36 S N -0.695 115.012 115.700 0.013 0.000 2.348 36 S HA 0.025 4.495 4.470 -0.000 0.000 0.219 36 S C 1.662 176.081 174.600 -0.301 0.000 1.033 36 S CA 0.813 58.977 58.200 -0.061 0.000 0.974 36 S CB -0.231 62.958 63.200 -0.019 0.000 0.868 36 S HN 0.391 nan 8.310 nan 0.000 0.459 37 L N 1.537 122.473 121.223 -0.479 0.000 2.450 37 L HA -0.133 4.207 4.340 -0.000 0.000 0.225 37 L C 2.434 178.902 176.870 -0.670 0.000 1.145 37 L CA 0.780 55.088 54.840 -0.887 0.000 0.801 37 L CB -0.717 40.872 42.059 -0.784 0.000 0.924 37 L HN 0.310 nan 8.230 nan 0.000 0.447 38 A N -1.111 121.411 122.820 -0.498 0.000 2.067 38 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 38 A C 2.536 179.873 177.584 -0.412 0.000 1.156 38 A CA 1.560 53.252 52.037 -0.574 0.000 0.683 38 A CB -0.223 18.155 19.000 -1.037 0.000 0.808 38 A HN 0.329 nan 8.150 nan 0.000 0.455 39 S N -1.247 114.328 115.700 -0.208 0.000 2.406 39 S HA -0.003 4.467 4.470 -0.000 0.000 0.224 39 S C 1.715 176.371 174.600 0.093 0.000 1.030 39 S CA 0.522 58.703 58.200 -0.031 0.000 0.958 39 S CB -0.620 62.606 63.200 0.044 0.000 0.811 39 S HN 0.577 nan 8.310 nan 0.000 0.489 40 F N 1.277 121.120 119.950 -0.178 0.000 2.141 40 F HA -0.277 4.250 4.527 -0.000 0.000 0.300 40 F C 2.576 178.241 175.800 -0.225 0.000 1.079 40 F CA 1.714 59.565 58.000 -0.247 0.000 1.264 40 F CB -0.503 38.319 39.000 -0.297 0.000 1.011 40 F HN 0.468 nan 8.300 nan 0.000 0.487 41 H N -0.545 118.417 119.070 -0.180 0.000 2.276 41 H HA -0.093 4.463 4.556 -0.000 0.000 0.301 41 H C 1.739 176.922 175.328 -0.242 0.000 1.073 41 H CA 1.619 57.485 56.048 -0.303 0.000 1.311 41 H CB 0.234 29.813 29.762 -0.306 0.000 1.379 41 H HN 0.323 nan 8.280 nan 0.000 0.494 42 A N -0.278 122.437 122.820 -0.176 0.000 1.687 42 A HA 0.142 4.462 4.320 -0.000 0.000 0.158 42 A C 0.158 177.727 177.584 -0.024 0.000 1.516 42 A CA -0.195 51.746 52.037 -0.159 0.000 1.427 42 A CB 0.487 19.356 19.000 -0.219 0.000 1.263 42 A HN 0.367 nan 8.150 nan 0.000 0.837 43 Q N 0.705 120.541 119.800 0.060 0.000 2.312 43 Q HA 0.530 4.870 4.340 -0.000 0.000 0.263 43 Q C -2.844 173.094 176.000 -0.103 0.000 0.995 43 Q CA -2.453 53.306 55.803 -0.073 0.000 0.853 43 Q CB 2.132 30.798 28.738 -0.121 0.000 1.300 43 Q HN 0.168 nan 8.270 nan 0.000 0.448 44 P HA 0.038 nan 4.420 nan 0.000 0.264 44 P C -2.532 174.636 177.300 -0.221 0.000 1.193 44 P CA -0.614 62.219 63.100 -0.444 0.000 0.763 44 P CB 0.291 31.723 31.700 -0.447 0.000 0.810 45 P HA 0.139 nan 4.420 nan 0.000 0.276 45 P C -1.161 176.045 177.300 -0.156 0.000 1.235 45 P CA -0.031 62.981 63.100 -0.146 0.000 0.772 45 P CB 0.557 32.182 31.700 -0.126 0.000 0.871 46 L N 2.461 123.577 121.223 -0.179 0.000 2.420 46 L HA 0.383 4.723 4.340 -0.000 0.000 0.260 46 L C 0.408 177.152 176.870 -0.211 0.000 1.508 46 L CA -0.378 54.336 54.840 -0.210 0.000 0.835 46 L CB -0.389 41.484 42.059 -0.311 0.000 1.018 46 L HN 0.248 nan 8.230 nan 0.000 0.520 47 c N 0.744 119.287 118.600 -0.096 0.000 3.814 47 c HA 0.348 4.918 4.570 -0.000 0.000 0.247 47 c C -0.312 173.841 174.090 0.104 0.000 1.881 47 c CA 0.662 56.975 56.329 -0.027 0.000 1.457 47 c CB 0.291 42.809 42.510 0.015 0.000 1.670 47 c HN 0.633 nan 8.230 nan 0.000 0.727 48 P HA 0.061 nan 4.420 nan 0.000 0.215 48 P C -0.046 177.333 177.300 0.131 0.000 1.157 48 P CA 2.397 65.569 63.100 0.120 0.000 0.874 48 P CB 0.026 31.782 31.700 0.093 0.000 0.790 49 A N -2.428 120.447 122.820 0.092 0.000 2.533 49 A HA 0.619 4.939 4.320 -0.000 0.000 0.293 49 A C -2.533 175.082 177.584 0.052 0.000 1.228 49 A CA -0.881 51.177 52.037 0.036 0.000 0.689 49 A CB 0.383 19.344 19.000 -0.065 0.000 1.303 49 A HN -0.139 nan 8.150 nan 0.000 0.444 50 P HA 0.379 nan 4.420 nan 0.000 0.280 50 P C 0.151 177.429 177.300 -0.038 0.000 1.431 50 P CA 0.972 64.018 63.100 -0.090 0.000 1.058 50 P CB 1.226 32.719 31.700 -0.346 0.000 1.521 51 A N -0.927 121.880 122.820 -0.021 0.000 2.474 51 A HA 0.644 4.964 4.320 -0.000 0.000 0.221 51 A C 1.138 178.707 177.584 -0.024 0.000 1.298 51 A CA 0.262 52.295 52.037 -0.006 0.000 1.008 51 A CB -0.272 18.740 19.000 0.019 0.000 1.217 51 A HN 0.194 nan 8.150 nan 0.000 0.553 52 A N 0.486 123.284 122.820 -0.037 0.000 2.406 52 A HA 0.372 4.692 4.320 -0.000 0.000 0.243 52 A C 0.947 178.495 177.584 -0.061 0.000 1.082 52 A CA 0.269 52.281 52.037 -0.042 0.000 0.786 52 A CB -0.022 18.955 19.000 -0.038 0.000 1.029 52 A HN 0.338 nan 8.150 nan 0.000 0.495 53 N N 0.286 118.952 118.700 -0.056 0.000 2.007 53 N HA -0.124 4.616 4.740 -0.000 0.000 0.197 53 N C 0.719 176.163 175.510 -0.110 0.000 1.050 53 N CA 1.877 54.886 53.050 -0.067 0.000 0.856 53 N CB -0.099 38.357 38.487 -0.051 0.000 1.050 53 N HN 0.672 nan 8.380 nan 0.000 0.423 54 K N 0.748 121.060 120.400 -0.147 0.000 2.240 54 K HA 0.537 4.857 4.320 -0.000 0.000 0.271 54 K C -1.489 174.867 176.600 -0.406 0.000 1.018 54 K CA -0.405 55.729 56.287 -0.256 0.000 0.874 54 K CB 1.239 33.602 32.500 -0.229 0.000 1.098 54 K HN 0.096 nan 8.250 nan 0.000 0.458 55 A N 4.506 127.046 122.820 -0.468 0.000 2.354 55 A HA 0.821 5.141 4.320 -0.000 0.000 0.321 55 A C -1.325 175.902 177.584 -0.596 0.000 1.125 55 A CA -0.730 51.041 52.037 -0.443 0.000 0.799 55 A CB 0.616 19.481 19.000 -0.225 0.000 1.293 55 A HN 0.678 nan 8.150 nan 0.000 0.452 56 F N -0.281 119.629 119.950 -0.067 0.000 2.664 56 F HA 0.660 5.187 4.527 -0.000 0.000 0.329 56 F C 0.783 176.513 175.800 -0.118 0.000 1.090 56 F CA -0.604 57.350 58.000 -0.075 0.000 0.978 56 F CB 1.740 40.697 39.000 -0.072 0.000 1.378 56 F HN 0.669 nan 8.300 nan 0.000 0.495 57 A N -0.026 122.855 122.820 0.103 0.000 2.451 57 A HA 0.169 4.489 4.320 -0.000 0.000 0.266 57 A C 0.698 178.177 177.584 -0.175 0.000 1.119 57 A CA -0.281 51.703 52.037 -0.088 0.000 0.786 57 A CB -0.376 18.522 19.000 -0.171 0.000 1.061 57 A HN 1.025 nan 8.150 nan 0.000 0.503 58 c N 2.440 120.898 118.600 -0.237 0.000 2.485 58 c HA 0.013 4.583 4.570 -0.000 0.000 0.283 58 c C 1.592 175.382 174.090 -0.500 0.000 1.478 58 c CA 0.304 56.458 56.329 -0.291 0.000 1.741 58 c CB -2.519 39.804 42.510 -0.312 0.000 1.675 58 c HN 0.884 nan 8.230 nan 0.000 0.573 59 C N 0.521 119.419 119.300 -0.670 0.000 2.536 59 C HA 0.624 5.084 4.460 -0.000 0.000 0.396 59 C C 0.254 174.827 174.990 -0.695 0.000 1.279 59 C CA -0.802 57.489 59.018 -1.212 0.000 2.148 59 C CB -0.390 26.710 27.740 -1.067 0.000 2.584 59 C HN 0.208 nan 8.230 nan 0.000 0.579 60 V N 5.076 124.492 119.914 -0.830 0.000 2.508 60 V HA 0.304 4.424 4.120 -0.000 0.000 0.281 60 V C 0.042 175.847 176.094 -0.481 0.000 1.041 60 V CA 0.698 62.792 62.300 -0.344 0.000 1.016 60 V CB -0.241 31.538 31.823 -0.073 0.000 0.984 60 V HN 1.015 nan 8.190 nan 0.000 0.478 61 H N 2.039 120.881 119.070 -0.380 0.000 2.894 61 H HA 0.596 5.152 4.556 -0.000 0.000 0.367 61 H C 0.826 175.562 175.328 -0.987 0.000 1.144 61 H CA 0.236 55.879 56.048 -0.674 0.000 1.180 61 H CB 1.907 31.273 29.762 -0.660 0.000 1.758 61 H HN 0.706 nan 8.280 nan 0.000 0.541 62 G N 1.388 109.529 108.800 -1.098 0.000 2.245 62 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.264 62 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.264 62 G C 0.146 174.680 174.900 -0.611 0.000 0.985 62 G CA 0.663 44.867 45.100 -1.493 0.000 0.625 62 G HN 0.439 nan 8.290 nan 0.000 0.536 63 M N -0.296 119.136 119.600 -0.281 0.000 2.598 63 M HA 0.693 5.173 4.480 -0.000 0.000 0.317 63 M C 1.682 178.032 176.300 0.084 0.000 1.201 63 M CA -0.211 55.063 55.300 -0.044 0.000 0.971 63 M CB 1.565 34.147 32.600 -0.030 0.000 1.657 63 M HN 0.262 nan 8.290 nan 0.000 0.470 64 A N 0.692 123.587 122.820 0.125 0.000 1.917 64 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 64 A C 1.786 179.473 177.584 0.172 0.000 1.182 64 A CA 2.548 54.674 52.037 0.149 0.000 0.633 64 A CB -1.414 17.698 19.000 0.188 0.000 0.819 64 A HN 0.939 nan 8.150 nan 0.000 0.448 65 T N -3.134 111.518 114.554 0.164 0.000 3.380 65 T HA 0.135 4.485 4.350 -0.000 0.000 0.250 65 T C 1.082 175.893 174.700 0.185 0.000 1.082 65 T CA 0.556 62.766 62.100 0.183 0.000 0.968 65 T CB -0.752 68.224 68.868 0.180 0.000 1.027 65 T HN 0.446 nan 8.240 nan 0.000 0.575 66 F N 3.088 123.023 119.950 -0.024 0.000 2.075 66 F HA 0.096 4.623 4.527 -0.000 0.000 0.297 66 F C -1.194 174.603 175.800 -0.005 0.000 1.113 66 F CA 0.217 58.181 58.000 -0.061 0.000 1.218 66 F CB -0.922 37.945 39.000 -0.223 0.000 0.984 66 F HN 0.159 nan 8.300 nan 0.000 0.472 67 P HA -0.124 nan 4.420 nan 0.000 0.229 67 P C 0.561 177.643 177.300 -0.363 0.000 1.150 67 P CA 1.485 64.017 63.100 -0.946 0.000 0.765 67 P CB -0.000 30.912 31.700 -1.313 0.000 0.783 68 E N -2.654 117.474 120.200 -0.120 0.000 2.132 68 E HA -0.044 4.306 4.350 -0.000 0.000 0.193 68 E C 1.522 178.173 176.600 0.084 0.000 0.951 68 E CA 0.349 56.748 56.400 -0.002 0.000 0.843 68 E CB -0.969 28.743 29.700 0.021 0.000 0.807 68 E HN 0.183 nan 8.360 nan 0.000 0.467 69 W N 1.357 122.685 121.300 0.047 0.000 2.301 69 W HA -0.301 4.359 4.660 -0.000 0.000 0.325 69 W C 1.826 178.429 176.519 0.141 0.000 1.250 69 W CA 2.429 59.861 57.345 0.144 0.000 1.261 69 W CB -0.366 29.177 29.460 0.138 0.000 1.157 69 W HN 0.236 nan 8.180 nan 0.000 0.473 70 H N -0.880 118.412 119.070 0.370 0.000 2.521 70 H HA -0.061 4.495 4.556 -0.000 0.000 0.286 70 H C 1.956 177.322 175.328 0.065 0.000 1.034 70 H CA 1.757 58.004 56.048 0.331 0.000 1.278 70 H CB -0.323 29.553 29.762 0.191 0.000 1.386 70 H HN 0.199 nan 8.280 nan 0.000 0.567 71 R N 0.483 121.009 120.500 0.043 0.000 2.062 71 R HA 0.017 4.357 4.340 -0.000 0.000 0.226 71 R C 1.767 177.906 176.300 -0.268 0.000 1.125 71 R CA 0.776 56.846 56.100 -0.051 0.000 0.966 71 R CB -0.453 29.845 30.300 -0.003 0.000 0.861 71 R HN 0.254 nan 8.270 nan 0.000 0.433 72 L N 0.229 121.205 121.223 -0.412 0.000 2.261 72 L HA -0.203 4.137 4.340 -0.000 0.000 0.216 72 L C 2.070 178.502 176.870 -0.730 0.000 1.114 72 L CA 1.106 55.477 54.840 -0.781 0.000 0.777 72 L CB -0.437 40.951 42.059 -1.118 0.000 0.910 72 L HN 0.327 nan 8.230 nan 0.000 0.440 73 Y N 0.734 120.708 120.300 -0.543 0.000 2.231 73 Y HA -0.199 4.351 4.550 -0.000 0.000 0.294 73 Y C 2.905 178.698 175.900 -0.178 0.000 1.120 73 Y CA 1.551 59.466 58.100 -0.308 0.000 1.141 73 Y CB -0.662 37.616 38.460 -0.302 0.000 1.022 73 Y HN 0.270 nan 8.280 nan 0.000 0.523 74 T N -2.559 111.938 114.554 -0.095 0.000 2.803 74 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 74 T C 1.951 176.524 174.700 -0.212 0.000 1.052 74 T CA 1.597 63.640 62.100 -0.094 0.000 1.136 74 T CB -1.189 67.634 68.868 -0.075 0.000 0.864 74 T HN 0.129 nan 8.240 nan 0.000 0.467 75 V N 1.545 121.256 119.914 -0.338 0.000 2.591 75 V HA -0.080 4.040 4.120 -0.000 0.000 0.249 75 V C 2.855 178.796 176.094 -0.255 0.000 1.053 75 V CA 1.843 63.936 62.300 -0.344 0.000 1.068 75 V CB -0.723 30.804 31.823 -0.494 0.000 0.689 75 V HN 0.509 nan 8.190 nan 0.000 0.462 76 Q N 0.058 119.670 119.800 -0.314 0.000 2.079 76 Q HA -0.158 4.182 4.340 -0.000 0.000 0.200 76 Q C 1.950 177.820 176.000 -0.217 0.000 0.974 76 Q CA 2.077 57.734 55.803 -0.244 0.000 0.840 76 Q CB -0.378 28.267 28.738 -0.154 0.000 0.898 76 Q HN 0.610 nan 8.270 nan 0.000 0.430 77 F N 0.179 119.962 119.950 -0.279 0.000 2.163 77 F HA -0.064 4.463 4.527 -0.000 0.000 0.297 77 F C 2.357 178.067 175.800 -0.151 0.000 1.094 77 F CA 1.012 58.859 58.000 -0.255 0.000 1.290 77 F CB 0.034 38.860 39.000 -0.290 0.000 1.017 77 F HN 0.247 nan 8.300 nan 0.000 0.483 78 E N 0.826 121.061 120.200 0.059 0.000 2.033 78 E HA -0.297 4.053 4.350 -0.000 0.000 0.199 78 E C 1.445 178.061 176.600 0.027 0.000 1.011 78 E CA 2.114 58.520 56.400 0.010 0.000 0.815 78 E CB -0.158 29.486 29.700 -0.092 0.000 0.755 78 E HN 0.301 nan 8.360 nan 0.000 0.451 79 D N -0.552 119.853 120.400 0.008 0.000 2.271 79 D HA -0.151 4.489 4.640 -0.000 0.000 0.207 79 D C 1.415 177.750 176.300 0.058 0.000 0.983 79 D CA 1.183 55.206 54.000 0.040 0.000 0.878 79 D CB -0.010 40.809 40.800 0.032 0.000 0.920 79 D HN 0.319 nan 8.370 nan 0.000 0.479 80 A N -0.569 122.281 122.820 0.050 0.000 2.030 80 A HA 0.110 4.430 4.320 -0.000 0.000 0.215 80 A C 2.014 179.623 177.584 0.041 0.000 1.164 80 A CA 0.164 52.233 52.037 0.052 0.000 0.697 80 A CB -0.185 18.835 19.000 0.035 0.000 0.827 80 A HN 0.159 nan 8.150 nan 0.000 0.457 81 L N -0.989 120.264 121.223 0.050 0.000 2.044 81 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 81 L C 2.699 179.625 176.870 0.094 0.000 1.075 81 L CA 1.415 56.282 54.840 0.046 0.000 0.747 81 L CB -0.489 41.615 42.059 0.076 0.000 0.903 81 L HN 0.450 nan 8.230 nan 0.000 0.435 82 R N 0.637 121.192 120.500 0.092 0.000 2.143 82 R HA -0.299 4.041 4.340 -0.000 0.000 0.239 82 R C 2.476 178.850 176.300 0.124 0.000 1.126 82 R CA 2.385 58.544 56.100 0.099 0.000 0.927 82 R CB -0.466 29.888 30.300 0.089 0.000 0.860 82 R HN 0.206 nan 8.270 nan 0.000 0.433 83 R N -0.038 120.548 120.500 0.142 0.000 2.204 83 R HA -0.177 4.163 4.340 -0.000 0.000 0.253 83 R C 0.288 176.705 176.300 0.195 0.000 1.172 83 R CA 1.851 58.050 56.100 0.164 0.000 0.994 83 R CB -0.343 30.081 30.300 0.205 0.000 0.874 83 R HN 0.585 nan 8.270 nan 0.000 0.462 84 H N -1.305 117.781 119.070 0.025 0.000 2.579 84 H HA 0.163 4.719 4.556 -0.000 0.000 0.289 84 H C 0.724 176.061 175.328 0.015 0.000 1.270 84 H CA 0.085 56.140 56.048 0.011 0.000 1.060 84 H CB 0.718 30.478 29.762 -0.003 0.000 1.554 84 H HN 0.593 nan 8.280 nan 0.000 0.515 85 G N 0.871 109.736 108.800 0.109 0.000 2.241 85 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.244 85 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.244 85 G C 0.649 175.601 174.900 0.086 0.000 0.998 85 G CA 0.429 45.578 45.100 0.081 0.000 0.621 85 G HN 0.487 nan 8.290 nan 0.000 0.519 86 S N -0.205 115.555 115.700 0.099 0.000 2.573 86 S HA 0.426 4.896 4.470 -0.000 0.000 0.277 86 S C 1.298 175.947 174.600 0.082 0.000 1.346 86 S CA 0.909 59.165 58.200 0.093 0.000 1.034 86 S CB 1.313 64.573 63.200 0.100 0.000 0.879 86 S HN 1.664 nan 8.310 nan 0.000 0.528 87 V N 1.784 121.744 119.914 0.076 0.000 3.172 87 V HA 0.511 4.631 4.120 -0.000 0.000 0.343 87 V C -0.242 175.886 176.094 0.057 0.000 1.429 87 V CA -0.041 62.299 62.300 0.067 0.000 1.149 87 V CB -0.532 31.331 31.823 0.066 0.000 1.106 87 V HN 0.821 nan 8.190 nan 0.000 0.526 88 V N -2.718 117.227 119.914 0.053 0.000 3.114 88 V HA 1.037 5.157 4.120 -0.000 0.000 0.308 88 V C 0.369 176.475 176.094 0.020 0.000 1.168 88 V CA 0.005 62.325 62.300 0.033 0.000 1.015 88 V CB 1.400 33.236 31.823 0.022 0.000 1.050 88 V HN 0.501 nan 8.190 nan 0.000 0.433 89 G N 1.477 110.277 108.800 -0.001 0.000 2.572 89 G HA2 0.518 4.478 3.960 -0.000 0.000 0.261 89 G HA3 0.518 4.478 3.960 -0.000 0.000 0.261 89 G C -0.057 174.811 174.900 -0.052 0.000 1.197 89 G CA -0.959 44.121 45.100 -0.034 0.000 0.870 89 G HN 0.952 nan 8.290 nan 0.000 0.548 90 I N 3.361 123.891 120.570 -0.068 0.000 2.671 90 I HA 0.035 4.205 4.170 -0.000 0.000 0.285 90 I C -1.309 174.766 176.117 -0.069 0.000 1.148 90 I CA -0.966 60.303 61.300 -0.051 0.000 1.386 90 I CB 0.594 38.583 38.000 -0.019 0.000 1.406 90 I HN 0.309 nan 8.210 nan 0.000 0.540 91 P HA -0.001 nan 4.420 nan 0.000 0.271 91 P C -1.375 175.882 177.300 -0.071 0.000 1.244 91 P CA 0.086 63.053 63.100 -0.222 0.000 0.793 91 P CB 0.413 31.794 31.700 -0.533 0.000 0.984 92 Y N -2.405 117.890 120.300 -0.007 0.000 2.364 92 Y HA 0.531 5.081 4.550 -0.000 0.000 0.340 92 Y C -0.726 175.263 175.900 0.148 0.000 0.975 92 Y CA -1.572 56.570 58.100 0.070 0.000 1.089 92 Y CB 0.777 39.286 38.460 0.083 0.000 1.192 92 Y HN 0.347 nan 8.280 nan 0.000 0.454 93 W N 6.873 128.211 121.300 0.064 0.000 2.247 93 W HA 0.289 4.949 4.660 -0.000 0.000 0.394 93 W C -0.478 176.150 176.519 0.182 0.000 0.939 93 W CA -1.274 56.122 57.345 0.085 0.000 1.548 93 W CB -0.154 29.345 29.460 0.064 0.000 1.610 93 W HN 0.734 nan 8.180 nan 0.000 0.336 94 D N 2.899 123.519 120.400 0.367 0.000 2.425 94 D HA -0.025 4.615 4.640 -0.000 0.000 0.247 94 D C 1.089 177.377 176.300 -0.020 0.000 1.147 94 D CA 0.832 54.940 54.000 0.179 0.000 0.879 94 D CB 1.330 42.292 40.800 0.271 0.000 1.179 94 D HN 0.381 nan 8.370 nan 0.000 0.456 95 T N -0.142 114.339 114.554 -0.122 0.000 3.016 95 T HA -0.007 4.343 4.350 -0.000 0.000 0.271 95 T C 1.793 176.552 174.700 0.099 0.000 0.968 95 T CA 0.447 62.484 62.100 -0.105 0.000 0.891 95 T CB -0.532 68.174 68.868 -0.269 0.000 1.149 95 T HN 0.245 nan 8.240 nan 0.000 0.524 96 V N 0.531 120.506 119.914 0.102 0.000 2.944 96 V HA 0.155 4.275 4.120 -0.000 0.000 0.265 96 V C 0.881 177.101 176.094 0.211 0.000 1.125 96 V CA 0.525 62.950 62.300 0.208 0.000 1.145 96 V CB -1.144 30.780 31.823 0.169 0.000 0.725 96 V HN 0.364 nan 8.190 nan 0.000 0.510 97 V N 3.105 123.117 119.914 0.164 0.000 2.435 97 V HA 0.428 4.548 4.120 -0.000 0.000 0.290 97 V C -2.155 174.041 176.094 0.171 0.000 1.030 97 V CA -1.950 60.446 62.300 0.160 0.000 0.881 97 V CB 1.774 33.681 31.823 0.140 0.000 0.983 97 V HN 0.339 nan 8.190 nan 0.000 0.445 98 P HA 0.013 nan 4.420 nan 0.000 0.261 98 P C -0.868 176.527 177.300 0.159 0.000 1.203 98 P CA -0.051 63.141 63.100 0.152 0.000 0.767 98 P CB 0.393 32.163 31.700 0.117 0.000 0.785 99 Q N 3.365 123.283 119.800 0.196 0.000 2.295 99 Q HA 0.029 4.369 4.340 -0.000 0.000 0.259 99 Q C 1.476 177.573 176.000 0.161 0.000 0.976 99 Q CA 0.039 55.981 55.803 0.232 0.000 0.923 99 Q CB 1.050 30.018 28.738 0.383 0.000 1.185 99 Q HN 0.581 nan 8.270 nan 0.000 0.410 100 E N 1.780 122.055 120.200 0.126 0.000 2.299 100 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 100 E C -0.117 176.528 176.600 0.075 0.000 0.998 100 E CA 0.694 57.144 56.400 0.084 0.000 0.851 100 E CB 0.417 30.156 29.700 0.065 0.000 0.795 100 E HN 0.640 nan 8.360 nan 0.000 0.492 101 D N 0.166 120.620 120.400 0.090 0.000 2.636 101 D HA 0.280 4.920 4.640 -0.000 0.000 0.275 101 D C -0.463 175.879 176.300 0.070 0.000 1.130 101 D CA -0.877 53.157 54.000 0.057 0.000 1.031 101 D CB 1.080 41.892 40.800 0.020 0.000 1.451 101 D HN -0.123 nan 8.370 nan 0.000 0.505 102 L N 0.726 121.937 121.223 -0.020 0.000 2.265 102 L HA 0.351 4.691 4.340 -0.000 0.000 0.289 102 L C -2.302 174.366 176.870 -0.337 0.000 1.033 102 L CA -1.446 53.309 54.840 -0.142 0.000 0.814 102 L CB 0.997 42.949 42.059 -0.179 0.000 1.203 102 L HN 0.145 nan 8.230 nan 0.000 0.423 103 P HA -0.024 nan 4.420 nan 0.000 0.260 103 P C 0.592 177.583 177.300 -0.514 0.000 1.172 103 P CA 0.208 63.088 63.100 -0.368 0.000 0.760 103 P CB 0.823 32.348 31.700 -0.291 0.000 0.773 104 A N 4.551 127.229 122.820 -0.237 0.000 1.881 104 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 104 A C 1.941 179.436 177.584 -0.149 0.000 1.215 104 A CA 1.940 53.876 52.037 -0.168 0.000 0.648 104 A CB -1.877 17.090 19.000 -0.055 0.000 0.832 104 A HN 0.585 nan 8.150 nan 0.000 0.455 105 F N 0.398 120.245 119.950 -0.172 0.000 2.076 105 F HA -0.348 4.179 4.527 -0.000 0.000 0.294 105 F C 1.742 177.521 175.800 -0.035 0.000 1.078 105 F CA 2.869 60.813 58.000 -0.092 0.000 1.247 105 F CB -0.463 38.477 39.000 -0.100 0.000 0.984 105 F HN 0.431 nan 8.300 nan 0.000 0.491 106 F N -2.216 117.750 119.950 0.026 0.000 2.682 106 F HA 0.318 4.845 4.527 -0.000 0.000 0.308 106 F C 1.413 177.187 175.800 -0.043 0.000 1.093 106 F CA 0.216 58.210 58.000 -0.009 0.000 1.244 106 F CB -1.195 37.842 39.000 0.061 0.000 1.052 106 F HN -0.001 nan 8.300 nan 0.000 0.573 107 N N 0.009 118.409 118.700 -0.500 0.000 2.414 107 N HA -0.039 4.701 4.740 -0.000 0.000 0.177 107 N C -0.321 175.100 175.510 -0.150 0.000 1.062 107 N CA -0.087 52.746 53.050 -0.361 0.000 0.890 107 N CB 0.200 38.401 38.487 -0.477 0.000 1.070 107 N HN 0.084 nan 8.380 nan 0.000 0.454 108 D N 1.392 121.723 120.400 -0.115 0.000 2.472 108 D HA -0.102 4.538 4.640 -0.000 0.000 0.237 108 D C 0.844 177.135 176.300 -0.014 0.000 1.141 108 D CA 0.486 54.459 54.000 -0.044 0.000 0.875 108 D CB 1.375 42.175 40.800 0.000 0.000 1.192 108 D HN 0.383 nan 8.370 nan 0.000 0.450 109 E N 1.169 121.369 120.200 -0.001 0.000 2.107 109 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 109 E C 0.294 176.916 176.600 0.038 0.000 0.982 109 E CA 0.994 57.402 56.400 0.013 0.000 0.809 109 E CB 0.201 29.907 29.700 0.009 0.000 0.756 109 E HN 0.452 nan 8.360 nan 0.000 0.459 110 I N -1.414 119.191 120.570 0.058 0.000 3.002 110 I HA 0.431 4.601 4.170 -0.000 0.000 0.310 110 I C -0.732 175.503 176.117 0.198 0.000 1.087 110 I CA -1.591 59.781 61.300 0.120 0.000 1.017 110 I CB 0.744 38.794 38.000 0.085 0.000 1.226 110 I HN 0.074 nan 8.210 nan 0.000 0.443 111 W N 2.338 123.629 121.300 -0.015 0.000 2.799 111 W HA 0.661 5.321 4.660 -0.000 0.000 0.349 111 W C -1.938 174.570 176.519 -0.018 0.000 1.100 111 W CA -0.913 56.422 57.345 -0.016 0.000 1.174 111 W CB 1.388 30.843 29.460 -0.008 0.000 1.427 111 W HN 0.611 nan 8.180 nan 0.000 0.547 112 D N 3.476 123.365 120.400 -0.852 0.000 2.461 112 D HA -0.009 4.631 4.640 -0.000 0.000 0.240 112 D C 1.058 176.526 176.300 -1.387 0.000 1.094 112 D CA -0.268 53.176 54.000 -0.927 0.000 0.868 112 D CB 1.609 42.144 40.800 -0.443 0.000 1.062 112 D HN 0.469 nan 8.370 nan 0.000 0.530 113 D N 3.570 123.178 120.400 -1.320 0.000 3.048 113 D HA -0.353 4.287 4.640 -0.000 0.000 0.192 113 D C 0.574 176.481 176.300 -0.655 0.000 1.125 113 D CA 2.269 55.816 54.000 -0.754 0.000 0.878 113 D CB 0.070 40.804 40.800 -0.111 0.000 0.924 113 D HN 0.656 nan 8.370 nan 0.000 0.496 114 A N -1.100 121.377 122.820 -0.572 0.000 2.203 114 A HA -0.081 4.239 4.320 -0.000 0.000 0.279 114 A C 0.602 177.960 177.584 -0.376 0.000 1.396 114 A CA 1.110 52.841 52.037 -0.510 0.000 0.747 114 A CB -1.538 17.232 19.000 -0.385 0.000 1.151 114 A HN 0.720 nan 8.150 nan 0.000 0.345 115 L N -1.753 119.207 121.223 -0.438 0.000 3.859 115 L HA 0.255 4.595 4.340 -0.000 0.000 0.524 115 L C 0.139 176.923 176.870 -0.143 0.000 0.786 115 L CA 1.242 55.945 54.840 -0.228 0.000 1.941 115 L CB -0.565 41.480 42.059 -0.023 0.000 1.526 115 L HN 0.947 nan 8.230 nan 0.000 0.444 116 F N -1.520 118.237 119.950 -0.321 0.000 3.420 116 F HA 0.103 4.630 4.527 -0.000 0.000 0.397 116 F C -0.022 175.900 175.800 0.204 0.000 1.046 116 F CA 0.208 58.233 58.000 0.042 0.000 0.627 116 F CB -0.056 38.982 39.000 0.064 0.000 1.938 116 F HN 0.205 nan 8.300 nan 0.000 0.424 117 H N -0.227 118.870 119.070 0.044 0.000 3.389 117 H HA 0.312 4.868 4.556 -0.000 0.000 0.278 117 H C -0.096 175.158 175.328 -0.123 0.000 0.746 117 H CA 0.523 56.517 56.048 -0.088 0.000 0.842 117 H CB -1.239 28.477 29.762 -0.077 0.000 1.442 117 H HN 0.737 nan 8.280 nan 0.000 0.303 118 A N 2.726 125.435 122.820 -0.184 0.000 2.549 118 A HA 0.573 4.893 4.320 -0.000 0.000 0.291 118 A C -1.051 176.145 177.584 -0.647 0.000 1.034 118 A CA -0.759 51.062 52.037 -0.360 0.000 0.655 118 A CB 1.144 19.919 19.000 -0.376 0.000 1.299 118 A HN 0.644 nan 8.150 nan 0.000 0.427 119 N N -0.188 118.083 118.700 -0.716 0.000 2.421 119 N HA 0.765 5.505 4.740 -0.000 0.000 0.285 119 N C -1.403 173.662 175.510 -0.742 0.000 1.027 119 N CA -0.070 52.660 53.050 -0.534 0.000 0.918 119 N CB 1.174 39.516 38.487 -0.243 0.000 1.152 119 N HN 0.484 nan 8.380 nan 0.000 0.485 120 F N -0.509 119.591 119.950 0.249 0.000 2.662 120 F HA 0.343 4.870 4.527 -0.000 0.000 0.312 120 F C 0.247 176.181 175.800 0.223 0.000 1.113 120 F CA -1.067 57.072 58.000 0.232 0.000 0.951 120 F CB 1.825 41.019 39.000 0.323 0.000 1.344 120 F HN 0.179 nan 8.300 nan 0.000 0.462 121 T N 0.779 115.499 114.554 0.278 0.000 2.913 121 T HA 0.058 4.408 4.350 -0.000 0.000 0.297 121 T C -0.141 174.584 174.700 0.043 0.000 1.029 121 T CA -0.461 61.720 62.100 0.135 0.000 1.104 121 T CB 0.376 69.277 68.868 0.055 0.000 0.964 121 T HN 0.330 nan 8.240 nan 0.000 0.532 122 N N 3.268 121.969 118.700 0.001 0.000 2.406 122 N HA 0.115 4.855 4.740 -0.000 0.000 0.265 122 N C -1.714 173.702 175.510 -0.157 0.000 1.203 122 N CA -2.065 50.912 53.050 -0.121 0.000 0.945 122 N CB 1.118 39.567 38.487 -0.063 0.000 1.165 122 N HN 0.240 nan 8.380 nan 0.000 0.485 123 P HA -0.043 nan 4.420 nan 0.000 0.215 123 P C 0.788 177.899 177.300 -0.315 0.000 1.157 123 P CA 1.009 63.917 63.100 -0.319 0.000 0.859 123 P CB -0.057 31.387 31.700 -0.427 0.000 0.786 124 F N -0.205 119.587 119.950 -0.263 0.000 2.717 124 F HA -0.079 4.448 4.527 -0.000 0.000 0.296 124 F C 1.801 177.585 175.800 -0.027 0.000 1.268 124 F CA 0.694 58.608 58.000 -0.142 0.000 1.466 124 F CB -0.877 37.994 39.000 -0.214 0.000 1.120 124 F HN 0.054 nan 8.300 nan 0.000 0.596 125 N N -0.384 118.349 118.700 0.055 0.000 2.227 125 N HA 0.183 4.923 4.740 -0.000 0.000 0.196 125 N C 0.503 176.063 175.510 0.084 0.000 1.142 125 N CA 0.854 53.961 53.050 0.096 0.000 0.887 125 N CB 0.789 39.300 38.487 0.041 0.000 1.022 125 N HN 0.307 nan 8.380 nan 0.000 0.500 126 G N -0.459 108.356 108.800 0.025 0.000 2.320 126 G HA2 0.556 4.516 3.960 -0.000 0.000 0.296 126 G HA3 0.556 4.516 3.960 -0.000 0.000 0.296 126 G C -2.041 172.841 174.900 -0.031 0.000 1.306 126 G CA 0.022 45.146 45.100 0.040 0.000 0.836 126 G HN 0.350 nan 8.290 nan 0.000 0.517 127 A N -0.863 121.961 122.820 0.007 0.000 2.557 127 A HA 0.821 5.141 4.320 -0.000 0.000 0.292 127 A C -1.532 176.057 177.584 0.008 0.000 1.139 127 A CA -0.543 51.471 52.037 -0.039 0.000 0.665 127 A CB 1.271 20.245 19.000 -0.043 0.000 1.285 127 A HN 0.590 nan 8.150 nan 0.000 0.433 128 D N -0.705 119.695 120.400 -0.001 0.000 2.478 128 D HA 0.660 5.300 4.640 -0.000 0.000 0.263 128 D C -0.814 175.470 176.300 -0.027 0.000 1.153 128 D CA 0.157 54.132 54.000 -0.041 0.000 1.038 128 D CB 1.412 42.182 40.800 -0.049 0.000 1.120 128 D HN 0.359 nan 8.370 nan 0.000 0.564 129 I N 1.450 121.904 120.570 -0.194 0.000 2.595 129 I HA 0.045 4.215 4.170 -0.000 0.000 0.276 129 I C 0.385 176.251 176.117 -0.419 0.000 1.109 129 I CA -0.360 60.693 61.300 -0.411 0.000 1.084 129 I CB 1.553 39.143 38.000 -0.684 0.000 1.206 129 I HN 0.059 nan 8.210 nan 0.000 0.486 130 D N 4.362 124.641 120.400 -0.203 0.000 2.084 130 D HA -0.196 4.444 4.640 -0.000 0.000 0.194 130 D C 2.020 178.084 176.300 -0.394 0.000 0.990 130 D CA 1.693 55.557 54.000 -0.226 0.000 0.826 130 D CB -0.129 40.636 40.800 -0.058 0.000 0.971 130 D HN 0.583 nan 8.370 nan 0.000 0.453 131 F N 1.900 121.726 119.950 -0.208 0.000 2.115 131 F HA -0.214 4.313 4.527 -0.000 0.000 0.300 131 F C 1.664 177.316 175.800 -0.246 0.000 1.092 131 F CA 1.525 59.400 58.000 -0.208 0.000 1.245 131 F CB -1.163 37.803 39.000 -0.057 0.000 0.995 131 F HN -0.155 nan 8.300 nan 0.000 0.481 132 N N -1.103 116.677 118.700 -1.533 0.000 2.521 132 N HA -0.155 4.585 4.740 -0.000 0.000 0.188 132 N C 0.164 175.375 175.510 -0.499 0.000 1.146 132 N CA 0.495 52.935 53.050 -1.018 0.000 0.893 132 N CB -0.454 37.282 38.487 -1.253 0.000 0.975 132 N HN 0.369 nan 8.380 nan 0.000 0.451 133 H N -0.870 117.950 119.070 -0.418 0.000 2.684 133 H HA -0.188 4.368 4.556 -0.000 0.000 0.309 133 H C -0.311 174.792 175.328 -0.375 0.000 1.102 133 H CA 0.883 56.752 56.048 -0.298 0.000 1.147 133 H CB -1.082 28.564 29.762 -0.194 0.000 1.391 133 H HN 0.540 nan 8.280 nan 0.000 0.398 134 Q N 0.063 119.585 119.800 -0.463 0.000 2.712 134 Q HA 0.578 4.918 4.340 -0.000 0.000 0.267 134 Q C 0.229 175.958 176.000 -0.452 0.000 1.062 134 Q CA -0.836 54.620 55.803 -0.579 0.000 0.888 134 Q CB 2.056 30.122 28.738 -1.120 0.000 1.374 134 Q HN 0.231 nan 8.270 nan 0.000 0.498 135 K N 0.918 121.077 120.400 -0.401 0.000 2.427 135 K HA 0.365 4.685 4.320 -0.000 0.000 0.252 135 K C -0.208 176.313 176.600 -0.132 0.000 0.931 135 K CA -0.765 55.393 56.287 -0.215 0.000 0.793 135 K CB 1.421 33.842 32.500 -0.132 0.000 1.211 135 K HN 0.372 nan 8.250 nan 0.000 0.426 136 I N 0.526 121.078 120.570 -0.030 0.000 3.292 136 I HA 0.309 4.479 4.170 -0.000 0.000 0.279 136 I C 0.320 176.480 176.117 0.073 0.000 1.268 136 I CA -0.021 61.324 61.300 0.075 0.000 1.342 136 I CB -0.199 37.895 38.000 0.156 0.000 1.366 136 I HN 0.741 nan 8.210 nan 0.000 0.615 137 A N 2.306 125.198 122.820 0.120 0.000 2.568 137 A HA 0.947 5.267 4.320 -0.000 0.000 0.291 137 A C -0.482 177.190 177.584 0.148 0.000 1.159 137 A CA -0.905 51.202 52.037 0.116 0.000 0.679 137 A CB 1.420 20.489 19.000 0.114 0.000 1.285 137 A HN 0.740 nan 8.150 nan 0.000 0.428 138 R N -0.815 119.770 120.500 0.142 0.000 2.766 138 R HA 0.632 4.972 4.340 -0.000 0.000 0.270 138 R C -2.326 174.064 176.300 0.150 0.000 1.035 138 R CA -0.611 55.588 56.100 0.165 0.000 0.911 138 R CB 2.137 32.545 30.300 0.180 0.000 1.243 138 R HN 0.763 nan 8.270 nan 0.000 0.460 139 D N 1.205 121.701 120.400 0.159 0.000 2.251 139 D HA 0.073 4.713 4.640 -0.000 0.000 0.210 139 D C -0.154 176.232 176.300 0.143 0.000 1.304 139 D CA -0.367 53.713 54.000 0.134 0.000 0.912 139 D CB 0.827 41.705 40.800 0.131 0.000 1.553 139 D HN 0.390 nan 8.370 nan 0.000 0.526 140 I N 3.901 124.553 120.570 0.135 0.000 3.555 140 I HA -0.106 4.064 4.170 -0.000 0.000 0.304 140 I C 1.942 178.104 176.117 0.076 0.000 1.246 140 I CA 0.270 61.659 61.300 0.149 0.000 1.220 140 I CB -2.071 36.031 38.000 0.170 0.000 1.001 140 I HN 0.568 nan 8.210 nan 0.000 0.513 141 N N 1.803 120.538 118.700 0.058 0.000 1.455 141 N HA -0.313 4.427 4.740 -0.000 0.000 0.110 141 N C 0.691 176.142 175.510 -0.099 0.000 0.227 141 N CA 2.051 55.099 53.050 -0.005 0.000 1.113 141 N CB -1.180 37.319 38.487 0.020 0.000 0.703 141 N HN 0.333 nan 8.380 nan 0.000 1.264 142 V N 2.045 121.844 119.914 -0.192 0.000 2.192 142 V HA 0.114 4.234 4.120 -0.000 0.000 0.264 142 V C 0.701 176.619 176.094 -0.293 0.000 1.155 142 V CA -0.197 61.894 62.300 -0.349 0.000 1.005 142 V CB 0.758 32.190 31.823 -0.651 0.000 1.201 142 V HN 0.267 nan 8.190 nan 0.000 0.468 143 D N 2.627 122.951 120.400 -0.127 0.000 2.378 143 D HA -0.049 4.591 4.640 -0.000 0.000 0.227 143 D C 1.698 177.925 176.300 -0.120 0.000 1.012 143 D CA 0.367 54.333 54.000 -0.056 0.000 0.905 143 D CB 0.432 41.238 40.800 0.011 0.000 0.895 143 D HN 0.335 nan 8.370 nan 0.000 0.532 144 K N 0.402 120.679 120.400 -0.206 0.000 2.555 144 K HA -0.056 4.264 4.320 -0.000 0.000 0.193 144 K C 2.042 178.469 176.600 -0.288 0.000 1.032 144 K CA 0.089 56.250 56.287 -0.210 0.000 1.004 144 K CB -0.343 32.020 32.500 -0.228 0.000 0.804 144 K HN 0.303 nan 8.250 nan 0.000 0.496 145 L N -0.039 120.915 121.223 -0.449 0.000 1.997 145 L HA -0.174 4.166 4.340 -0.000 0.000 0.216 145 L C 2.349 179.151 176.870 -0.114 0.000 1.074 145 L CA 2.280 56.830 54.840 -0.482 0.000 0.763 145 L CB -1.613 40.204 42.059 -0.403 0.000 0.890 145 L HN 0.056 nan 8.230 nan 0.000 0.434 146 A N -0.077 122.720 122.820 -0.039 0.000 1.909 146 A HA -0.272 4.048 4.320 -0.000 0.000 0.221 146 A C 1.606 179.196 177.584 0.010 0.000 1.223 146 A CA 2.023 54.075 52.037 0.026 0.000 0.658 146 A CB -1.044 17.971 19.000 0.024 0.000 0.831 146 A HN 0.595 nan 8.150 nan 0.000 0.462 147 K N 0.663 121.042 120.400 -0.034 0.000 2.315 147 K HA 0.203 4.523 4.320 -0.000 0.000 0.281 147 K C -0.320 176.280 176.600 -0.001 0.000 1.086 147 K CA 0.379 56.650 56.287 -0.027 0.000 1.042 147 K CB 0.025 32.493 32.500 -0.053 0.000 0.949 147 K HN 0.539 nan 8.250 nan 0.000 0.450 148 E N 0.509 120.732 120.200 0.037 0.000 2.409 148 E HA 0.452 4.801 4.350 -0.000 0.000 0.280 148 E C -1.316 175.328 176.600 0.072 0.000 1.079 148 E CA -0.107 56.341 56.400 0.080 0.000 0.840 148 E CB 1.649 31.432 29.700 0.138 0.000 1.309 148 E HN 0.409 nan 8.360 nan 0.000 0.447 149 G N 3.178 112.030 108.800 0.088 0.000 2.905 149 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.210 149 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.210 149 G C -1.896 173.015 174.900 0.019 0.000 0.991 149 G CA -0.193 44.938 45.100 0.051 0.000 1.210 149 G HN 0.425 nan 8.290 nan 0.000 0.602 150 P HA 0.018 nan 4.420 nan 0.000 0.229 150 P C 0.731 178.027 177.300 -0.007 0.000 1.150 150 P CA 1.140 64.256 63.100 0.026 0.000 0.765 150 P CB 0.284 32.014 31.700 0.051 0.000 0.783 151 K N -1.273 119.101 120.400 -0.043 0.000 3.253 151 K HA 0.429 4.749 4.320 -0.000 0.000 0.171 151 K C 0.496 176.958 176.600 -0.231 0.000 1.035 151 K CA 0.407 56.632 56.287 -0.103 0.000 1.013 151 K CB 0.604 33.054 32.500 -0.083 0.000 0.674 151 K HN 0.193 nan 8.250 nan 0.000 0.407 152 G N 0.705 109.385 108.800 -0.199 0.000 2.785 152 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.218 152 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.218 152 G C 0.361 175.137 174.900 -0.205 0.000 1.251 152 G CA 0.064 44.992 45.100 -0.287 0.000 1.129 152 G HN 0.179 nan 8.290 nan 0.000 0.573 153 Y N 2.266 122.497 120.300 -0.114 0.000 2.509 153 Y HA 0.294 4.844 4.550 -0.000 0.000 0.293 153 Y C 1.455 177.218 175.900 -0.228 0.000 1.133 153 Y CA 0.411 58.400 58.100 -0.185 0.000 1.283 153 Y CB -1.255 37.007 38.460 -0.329 0.000 1.001 153 Y HN 0.391 nan 8.280 nan 0.000 0.555 154 D N 1.759 122.208 120.400 0.082 0.000 2.738 154 D HA 0.037 4.677 4.640 -0.000 0.000 0.226 154 D C 0.239 176.732 176.300 0.321 0.000 1.070 154 D CA 0.345 54.500 54.000 0.259 0.000 1.153 154 D CB -0.917 40.030 40.800 0.246 0.000 1.141 154 D HN 0.426 nan 8.370 nan 0.000 0.459 155 T N -4.256 110.511 114.554 0.356 0.000 2.849 155 T HA 0.104 4.454 4.350 -0.000 0.000 0.284 155 T C 1.004 175.968 174.700 0.440 0.000 1.004 155 T CA -1.068 61.248 62.100 0.360 0.000 1.021 155 T CB 1.156 70.238 68.868 0.357 0.000 1.013 155 T HN 0.438 nan 8.240 nan 0.000 0.527 156 W N 1.831 123.282 121.300 0.251 0.000 2.278 156 W HA -0.311 4.349 4.660 -0.000 0.000 0.339 156 W C 2.504 179.147 176.519 0.206 0.000 1.348 156 W CA 2.912 60.384 57.345 0.211 0.000 1.289 156 W CB -1.040 28.571 29.460 0.253 0.000 1.124 156 W HN 0.741 nan 8.180 nan 0.000 0.469 157 S N -0.039 116.017 115.700 0.594 0.000 2.420 157 S HA -0.269 4.201 4.470 -0.000 0.000 0.237 157 S C 1.495 176.275 174.600 0.300 0.000 1.023 157 S CA 1.443 59.852 58.200 0.348 0.000 0.991 157 S CB -0.929 62.599 63.200 0.547 0.000 0.792 157 S HN 0.410 nan 8.310 nan 0.000 0.488 158 F N 2.314 122.397 119.950 0.221 0.000 2.060 158 F HA -0.057 4.470 4.527 -0.000 0.000 0.295 158 F C 2.092 177.995 175.800 0.171 0.000 1.120 158 F CA 1.426 59.552 58.000 0.210 0.000 1.205 158 F CB -0.429 38.702 39.000 0.218 0.000 0.986 158 F HN -0.032 nan 8.300 nan 0.000 0.470 159 K N -0.350 120.173 120.400 0.205 0.000 2.089 159 K HA -0.316 4.004 4.320 -0.000 0.000 0.210 159 K C 2.146 178.665 176.600 -0.136 0.000 1.048 159 K CA 2.067 58.384 56.287 0.051 0.000 0.926 159 K CB -0.357 32.183 32.500 0.066 0.000 0.714 159 K HN 0.293 nan 8.250 nan 0.000 0.448 160 Q N -0.228 119.397 119.800 -0.292 0.000 2.020 160 Q HA -0.090 4.250 4.340 -0.000 0.000 0.198 160 Q C 1.672 177.501 176.000 -0.286 0.000 0.974 160 Q CA 1.646 57.147 55.803 -0.504 0.000 0.829 160 Q CB -0.223 27.913 28.738 -1.003 0.000 0.894 160 Q HN 0.412 nan 8.270 nan 0.000 0.433 161 Y N -0.977 119.223 120.300 -0.166 0.000 2.286 161 Y HA -0.096 4.454 4.550 -0.000 0.000 0.293 161 Y C 1.975 177.860 175.900 -0.025 0.000 1.124 161 Y CA 0.498 58.563 58.100 -0.058 0.000 1.178 161 Y CB -0.027 38.410 38.460 -0.039 0.000 1.010 161 Y HN 0.164 nan 8.280 nan 0.000 0.536 162 I N -0.296 120.249 120.570 -0.041 0.000 2.185 162 I HA -0.393 3.777 4.170 -0.000 0.000 0.246 162 I C 2.207 178.369 176.117 0.075 0.000 1.088 162 I CA 1.685 62.909 61.300 -0.126 0.000 1.347 162 I CB -0.715 37.007 38.000 -0.463 0.000 1.041 162 I HN 0.300 nan 8.210 nan 0.000 0.415 163 Y N 1.024 121.314 120.300 -0.016 0.000 2.200 163 Y HA -0.166 4.384 4.550 -0.000 0.000 0.290 163 Y C 2.403 178.373 175.900 0.115 0.000 1.137 163 Y CA 1.870 59.995 58.100 0.040 0.000 1.163 163 Y CB -0.627 37.839 38.460 0.009 0.000 0.988 163 Y HN 0.212 nan 8.280 nan 0.000 0.518 164 A N -0.132 122.853 122.820 0.274 0.000 2.019 164 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 164 A C 2.129 179.978 177.584 0.442 0.000 1.164 164 A CA 1.584 53.858 52.037 0.395 0.000 0.644 164 A CB -0.997 18.313 19.000 0.517 0.000 0.805 164 A HN 0.564 nan 8.150 nan 0.000 0.449 165 L N -1.101 120.294 121.223 0.287 0.000 2.492 165 L HA -0.032 4.308 4.340 -0.000 0.000 0.223 165 L C 2.363 179.272 176.870 0.066 0.000 1.132 165 L CA 0.826 55.803 54.840 0.229 0.000 0.850 165 L CB -0.145 42.028 42.059 0.190 0.000 0.966 165 L HN 0.595 nan 8.230 nan 0.000 0.454 166 E N 0.041 120.222 120.200 -0.030 0.000 2.046 166 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 166 E C 0.405 176.937 176.600 -0.113 0.000 0.982 166 E CA 0.276 56.613 56.400 -0.105 0.000 0.800 166 E CB 0.289 29.850 29.700 -0.231 0.000 0.756 166 E HN 0.321 nan 8.360 nan 0.000 0.449 167 Q N 1.030 120.743 119.800 -0.146 0.000 2.283 167 Q HA -0.090 4.250 4.340 -0.000 0.000 0.301 167 Q C 0.150 176.163 176.000 0.022 0.000 1.063 167 Q CA 0.806 56.573 55.803 -0.061 0.000 0.952 167 Q CB 0.824 29.564 28.738 0.003 0.000 1.166 167 Q HN 0.356 nan 8.270 nan 0.000 0.381 168 E N 0.662 120.854 120.200 -0.014 0.000 2.472 168 E HA -0.037 4.313 4.350 -0.000 0.000 0.196 168 E C -0.256 176.358 176.600 0.024 0.000 1.033 168 E CA -0.048 56.306 56.400 -0.077 0.000 0.886 168 E CB 0.554 30.199 29.700 -0.092 0.000 0.944 168 E HN 0.471 nan 8.360 nan 0.000 0.492 169 D N -0.321 120.148 120.400 0.116 0.000 2.313 169 D HA -0.052 4.588 4.640 -0.000 0.000 0.239 169 D C 0.610 177.092 176.300 0.303 0.000 1.142 169 D CA -0.271 53.833 54.000 0.174 0.000 0.847 169 D CB 0.779 41.647 40.800 0.113 0.000 1.082 169 D HN 0.030 nan 8.370 nan 0.000 0.480 170 Y N 3.588 124.070 120.300 0.304 0.000 2.096 170 Y HA -0.407 4.143 4.550 -0.000 0.000 0.278 170 Y C 2.080 178.087 175.900 0.177 0.000 1.192 170 Y CA 1.918 60.181 58.100 0.272 0.000 1.143 170 Y CB -0.352 38.267 38.460 0.264 0.000 0.963 170 Y HN 0.535 nan 8.280 nan 0.000 0.505 171 c N 0.212 118.899 118.600 0.146 0.000 2.453 171 c HA -0.154 4.416 4.570 -0.000 0.000 0.277 171 c C 2.254 176.310 174.090 -0.057 0.000 1.262 171 c CA 1.214 57.540 56.329 -0.005 0.000 1.718 171 c CB -1.288 41.286 42.510 0.108 0.000 2.031 171 c HN 0.590 nan 8.230 nan 0.000 0.480 172 D N 0.200 120.614 120.400 0.023 0.000 2.265 172 D HA -0.139 4.501 4.640 -0.000 0.000 0.208 172 D C 1.628 177.936 176.300 0.013 0.000 0.977 172 D CA 1.128 55.133 54.000 0.009 0.000 0.871 172 D CB -0.228 40.591 40.800 0.031 0.000 0.925 172 D HN 0.700 nan 8.370 nan 0.000 0.485 173 F N 0.546 120.383 119.950 -0.189 0.000 2.374 173 F HA 0.141 4.668 4.527 -0.000 0.000 0.291 173 F C 1.949 177.549 175.800 -0.332 0.000 1.084 173 F CA 0.294 58.158 58.000 -0.227 0.000 1.413 173 F CB 0.015 38.887 39.000 -0.213 0.000 1.099 173 F HN -0.238 nan 8.300 nan 0.000 0.534 174 E N 0.999 120.679 120.200 -0.866 0.000 2.331 174 E HA -0.148 4.202 4.350 -0.000 0.000 0.199 174 E C 2.063 178.317 176.600 -0.576 0.000 1.008 174 E CA 1.273 57.097 56.400 -0.960 0.000 0.843 174 E CB -0.098 29.180 29.700 -0.703 0.000 0.761 174 E HN 0.452 nan 8.360 nan 0.000 0.507 175 V N 0.547 120.171 119.914 -0.484 0.000 2.343 175 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 175 V C 2.339 178.155 176.094 -0.464 0.000 1.051 175 V CA 1.888 63.830 62.300 -0.596 0.000 1.036 175 V CB -0.462 31.062 31.823 -0.498 0.000 0.654 175 V HN 0.176 nan 8.190 nan 0.000 0.451 176 Q N -0.865 118.766 119.800 -0.281 0.000 2.062 176 Q HA -0.007 4.333 4.340 -0.000 0.000 0.196 176 Q C 1.959 177.738 176.000 -0.368 0.000 0.967 176 Q CA 1.536 57.231 55.803 -0.180 0.000 0.832 176 Q CB -0.496 28.267 28.738 0.042 0.000 0.899 176 Q HN 0.632 nan 8.270 nan 0.000 0.442 177 F N 1.221 120.774 119.950 -0.662 0.000 2.192 177 F HA -0.277 4.250 4.527 -0.000 0.000 0.301 177 F C 1.981 177.532 175.800 -0.415 0.000 1.079 177 F CA 1.750 59.356 58.000 -0.657 0.000 1.303 177 F CB 0.148 38.431 39.000 -1.195 0.000 1.024 177 F HN 0.165 nan 8.300 nan 0.000 0.494 178 E N 0.182 120.215 120.200 -0.278 0.000 2.021 178 E HA -0.163 4.187 4.350 -0.000 0.000 0.189 178 E C 2.251 178.645 176.600 -0.344 0.000 0.980 178 E CA 1.095 57.347 56.400 -0.247 0.000 0.803 178 E CB -0.100 29.409 29.700 -0.318 0.000 0.766 178 E HN 0.284 nan 8.360 nan 0.000 0.449 179 I N 1.712 122.012 120.570 -0.449 0.000 2.315 179 I HA -0.273 3.897 4.170 -0.000 0.000 0.251 179 I C 2.477 178.364 176.117 -0.384 0.000 1.125 179 I CA 1.402 62.413 61.300 -0.482 0.000 1.392 179 I CB -1.625 35.778 38.000 -0.995 0.000 1.065 179 I HN 0.167 nan 8.210 nan 0.000 0.424 180 A N 0.164 122.668 122.820 -0.526 0.000 1.877 180 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 180 A C 2.252 179.645 177.584 -0.319 0.000 1.186 180 A CA 1.688 53.370 52.037 -0.590 0.000 0.620 180 A CB -1.215 17.038 19.000 -1.246 0.000 0.822 180 A HN 0.634 nan 8.150 nan 0.000 0.443 181 H N -0.201 118.621 119.070 -0.413 0.000 2.568 181 H HA -0.012 4.544 4.556 -0.000 0.000 0.281 181 H C 0.415 175.745 175.328 0.002 0.000 1.028 181 H CA 1.143 57.062 56.048 -0.214 0.000 1.199 181 H CB -0.151 29.474 29.762 -0.228 0.000 1.352 181 H HN 0.388 nan 8.280 nan 0.000 0.605 182 N N 0.179 118.758 118.700 -0.200 0.000 2.353 182 N HA 0.076 4.816 4.740 -0.000 0.000 0.185 182 N C 1.666 177.035 175.510 -0.236 0.000 1.098 182 N CA 0.703 53.640 53.050 -0.188 0.000 0.872 182 N CB 0.311 38.738 38.487 -0.100 0.000 0.970 182 N HN 0.439 nan 8.380 nan 0.000 0.467 183 A N 0.570 123.180 122.820 -0.350 0.000 1.861 183 A HA 0.060 4.380 4.320 -0.000 0.000 0.212 183 A C 1.869 178.770 177.584 -1.138 0.000 1.199 183 A CA 0.584 52.122 52.037 -0.832 0.000 0.613 183 A CB -0.386 17.970 19.000 -1.074 0.000 0.846 183 A HN 0.051 nan 8.150 nan 0.000 0.446 184 I N 0.446 120.463 120.570 -0.922 0.000 2.236 184 I HA -0.285 3.885 4.170 -0.000 0.000 0.249 184 I C 2.298 178.120 176.117 -0.492 0.000 1.102 184 I CA 1.374 62.205 61.300 -0.782 0.000 1.365 184 I CB -0.906 36.299 38.000 -1.324 0.000 1.051 184 I HN 0.399 nan 8.210 nan 0.000 0.420 185 H N 0.101 118.898 119.070 -0.456 0.000 2.290 185 H HA -0.118 4.438 4.556 -0.000 0.000 0.298 185 H C 2.237 177.506 175.328 -0.098 0.000 1.087 185 H CA 1.892 57.833 56.048 -0.178 0.000 1.291 185 H CB -0.374 29.294 29.762 -0.155 0.000 1.369 185 H HN 0.372 nan 8.280 nan 0.000 0.492 186 A N 0.670 123.467 122.820 -0.039 0.000 1.898 186 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 186 A C 1.647 179.355 177.584 0.206 0.000 1.181 186 A CA 1.057 53.117 52.037 0.039 0.000 0.620 186 A CB -0.768 18.217 19.000 -0.025 0.000 0.819 186 A HN 0.385 nan 8.150 nan 0.000 0.442 187 W N -0.548 120.726 121.300 -0.043 0.000 3.204 187 W HA 0.284 4.944 4.660 -0.000 0.000 0.249 187 W C 1.120 177.670 176.519 0.052 0.000 1.322 187 W CA -0.020 57.309 57.345 -0.027 0.000 1.593 187 W CB -0.770 28.653 29.460 -0.061 0.000 1.122 187 W HN 0.173 nan 8.180 nan 0.000 0.710 188 V N -1.243 118.827 119.914 0.260 0.000 3.539 188 V HA 0.246 4.366 4.120 -0.000 0.000 0.262 188 V C 1.892 178.121 176.094 0.225 0.000 1.381 188 V CA 1.331 63.788 62.300 0.261 0.000 1.060 188 V CB 0.379 32.358 31.823 0.260 0.000 0.842 188 V HN 0.105 nan 8.190 nan 0.000 0.445 189 G N -0.574 108.346 108.800 0.201 0.000 3.159 189 G HA2 0.403 4.363 3.960 -0.000 0.000 0.232 189 G HA3 0.403 4.363 3.960 -0.000 0.000 0.232 189 G C 1.252 176.257 174.900 0.175 0.000 1.116 189 G CA 0.774 45.983 45.100 0.182 0.000 0.767 189 G HN 0.564 nan 8.290 nan 0.000 0.547 190 G N 1.309 110.216 108.800 0.178 0.000 2.679 190 G HA2 -0.461 3.499 3.960 -0.000 0.000 0.373 190 G HA3 -0.461 3.499 3.960 -0.000 0.000 0.373 190 G C 1.514 176.543 174.900 0.215 0.000 1.114 190 G CA 2.774 47.973 45.100 0.165 0.000 0.898 190 G HN 1.113 nan 8.290 nan 0.000 0.648 191 T N -1.238 113.449 114.554 0.222 0.000 3.054 191 T HA 0.399 4.749 4.350 -0.000 0.000 0.255 191 T C 0.540 175.494 174.700 0.423 0.000 1.035 191 T CA 0.599 62.893 62.100 0.323 0.000 0.941 191 T CB 0.548 69.534 68.868 0.197 0.000 1.026 191 T HN 0.448 nan 8.240 nan 0.000 0.533 192 E N 2.293 122.660 120.200 0.278 0.000 2.324 192 E HA 0.105 4.455 4.350 -0.000 0.000 0.271 192 E C 0.930 177.621 176.600 0.151 0.000 1.028 192 E CA -0.024 56.520 56.400 0.241 0.000 0.890 192 E CB 1.593 31.401 29.700 0.179 0.000 1.004 192 E HN 0.575 nan 8.360 nan 0.000 0.431 193 E N 3.401 123.709 120.200 0.181 0.000 2.005 193 E HA -0.214 4.136 4.350 -0.000 0.000 0.198 193 E C -0.134 176.328 176.600 -0.231 0.000 1.010 193 E CA 1.168 57.444 56.400 -0.206 0.000 0.825 193 E CB -0.083 29.557 29.700 -0.101 0.000 0.769 193 E HN 0.474 nan 8.360 nan 0.000 0.456 194 Y N 1.611 121.867 120.300 -0.073 0.000 2.758 194 Y HA 0.103 4.653 4.550 -0.000 0.000 0.351 194 Y C 0.424 176.343 175.900 0.032 0.000 1.214 194 Y CA -0.091 57.918 58.100 -0.151 0.000 1.983 194 Y CB -0.496 37.690 38.460 -0.457 0.000 2.062 194 Y HN 0.103 nan 8.280 nan 0.000 0.416 195 S N -0.938 114.881 115.700 0.199 0.000 4.205 195 S HA 0.376 4.846 4.470 -0.000 0.000 0.268 195 S C 0.767 175.534 174.600 0.278 0.000 1.082 195 S CA -0.822 57.514 58.200 0.227 0.000 1.431 195 S CB 0.811 64.121 63.200 0.182 0.000 1.370 195 S HN 0.293 nan 8.310 nan 0.000 0.740 196 M N 1.162 120.927 119.600 0.275 0.000 2.502 196 M HA 0.225 4.705 4.480 -0.000 0.000 0.243 196 M C 1.407 177.915 176.300 0.347 0.000 1.130 196 M CA 0.598 56.123 55.300 0.375 0.000 1.055 196 M CB -0.305 32.513 32.600 0.364 0.000 1.457 196 M HN 0.899 nan 8.290 nan 0.000 0.488 197 G N -1.552 107.353 108.800 0.175 0.000 3.189 197 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.225 197 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.225 197 G C -0.087 174.745 174.900 -0.115 0.000 1.159 197 G CA -0.088 45.041 45.100 0.049 0.000 0.763 197 G HN 0.488 nan 8.290 nan 0.000 0.549 198 H N -0.187 118.779 119.070 -0.174 0.000 2.658 198 H HA 0.351 4.907 4.556 -0.000 0.000 0.337 198 H C 1.115 176.302 175.328 -0.234 0.000 1.009 198 H CA -1.087 54.769 56.048 -0.321 0.000 1.231 198 H CB 1.827 31.355 29.762 -0.390 0.000 1.508 198 H HN -0.075 nan 8.280 nan 0.000 0.517 199 L N 4.630 125.744 121.223 -0.182 0.000 2.010 199 L HA -0.282 4.058 4.340 -0.000 0.000 0.219 199 L C 1.578 178.383 176.870 -0.108 0.000 1.077 199 L CA 1.968 56.663 54.840 -0.242 0.000 0.773 199 L CB -0.767 40.977 42.059 -0.524 0.000 0.892 199 L HN 0.785 nan 8.230 nan 0.000 0.436 200 H N -0.689 118.400 119.070 0.031 0.000 2.446 200 H HA -0.213 4.343 4.556 -0.000 0.000 0.296 200 H C 2.240 177.443 175.328 -0.209 0.000 1.047 200 H CA 2.665 58.506 56.048 -0.344 0.000 1.156 200 H CB -1.433 27.711 29.762 -1.030 0.000 1.405 200 H HN 0.517 nan 8.280 nan 0.000 0.588 201 Y N 0.668 121.119 120.300 0.252 0.000 2.293 201 Y HA -0.062 4.488 4.550 -0.000 0.000 0.291 201 Y C 2.846 178.989 175.900 0.406 0.000 1.137 201 Y CA 0.359 58.682 58.100 0.371 0.000 1.202 201 Y CB -0.609 37.963 38.460 0.187 0.000 0.990 201 Y HN 0.243 nan 8.280 nan 0.000 0.537 202 A N 0.814 123.894 122.820 0.434 0.000 1.969 202 A HA -0.364 3.956 4.320 -0.000 0.000 0.223 202 A C 2.288 180.058 177.584 0.310 0.000 1.218 202 A CA 2.638 54.939 52.037 0.441 0.000 0.667 202 A CB -1.338 17.991 19.000 0.548 0.000 0.826 202 A HN 0.551 nan 8.150 nan 0.000 0.472 203 S N -2.379 113.368 115.700 0.080 0.000 2.660 203 S HA 0.029 4.499 4.470 -0.000 0.000 0.228 203 S C 1.293 175.840 174.600 -0.090 0.000 0.966 203 S CA 0.717 58.695 58.200 -0.369 0.000 0.940 203 S CB -0.702 62.140 63.200 -0.596 0.000 0.773 203 S HN 0.571 nan 8.310 nan 0.000 0.535 204 Y N 1.765 122.163 120.300 0.163 0.000 2.475 204 Y HA 0.203 4.753 4.550 -0.000 0.000 0.289 204 Y C 1.252 177.324 175.900 0.287 0.000 1.121 204 Y CA 0.388 58.620 58.100 0.220 0.000 1.257 204 Y CB 0.053 38.675 38.460 0.270 0.000 1.026 204 Y HN 0.355 nan 8.280 nan 0.000 0.555 205 D N -0.202 120.426 120.400 0.380 0.000 2.255 205 D HA 0.091 4.731 4.640 -0.000 0.000 0.249 205 D C -2.127 174.363 176.300 0.316 0.000 1.078 205 D CA -2.367 51.830 54.000 0.329 0.000 0.896 205 D CB 1.953 42.940 40.800 0.312 0.000 1.194 205 D HN -0.045 nan 8.370 nan 0.000 0.429 206 P HA -0.092 nan 4.420 nan 0.000 0.221 206 P C 1.436 178.916 177.300 0.300 0.000 1.150 206 P CA 0.222 63.468 63.100 0.243 0.000 0.800 206 P CB 0.329 32.108 31.700 0.131 0.000 0.787 207 V N -0.954 119.097 119.914 0.227 0.000 2.982 207 V HA -0.227 3.893 4.120 -0.000 0.000 0.265 207 V C 1.789 178.037 176.094 0.257 0.000 1.122 207 V CA 1.270 63.619 62.300 0.082 0.000 1.143 207 V CB -1.321 30.389 31.823 -0.189 0.000 0.726 207 V HN 0.003 nan 8.190 nan 0.000 0.507 208 F N 0.691 120.773 119.950 0.219 0.000 2.010 208 F HA -0.218 4.309 4.527 -0.000 0.000 0.296 208 F C 2.062 178.080 175.800 0.364 0.000 1.146 208 F CA 2.571 60.776 58.000 0.343 0.000 1.181 208 F CB -0.324 38.858 39.000 0.304 0.000 0.965 208 F HN 0.138 nan 8.300 nan 0.000 0.480 209 I N 0.739 121.679 120.570 0.617 0.000 2.121 209 I HA -0.425 3.745 4.170 -0.000 0.000 0.243 209 I C 2.459 178.714 176.117 0.230 0.000 1.047 209 I CA 1.964 63.480 61.300 0.360 0.000 1.308 209 I CB -0.860 37.264 38.000 0.206 0.000 1.015 209 I HN 0.327 nan 8.210 nan 0.000 0.410 210 L N -0.476 120.885 121.223 0.230 0.000 2.081 210 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 210 L C 2.672 179.671 176.870 0.215 0.000 1.080 210 L CA 1.565 56.504 54.840 0.165 0.000 0.754 210 L CB -0.918 41.180 42.059 0.065 0.000 0.893 210 L HN 0.386 nan 8.230 nan 0.000 0.433 211 H N -0.230 118.884 119.070 0.073 0.000 2.294 211 H HA -0.111 4.445 4.556 -0.000 0.000 0.306 211 H C 1.934 177.191 175.328 -0.118 0.000 1.065 211 H CA 1.670 57.681 56.048 -0.062 0.000 1.343 211 H CB -0.201 29.426 29.762 -0.224 0.000 1.396 211 H HN 0.268 nan 8.280 nan 0.000 0.506 212 H N -1.091 117.786 119.070 -0.321 0.000 2.568 212 H HA 0.040 4.596 4.556 -0.000 0.000 0.275 212 H C 1.781 177.040 175.328 -0.115 0.000 1.028 212 H CA 0.902 56.765 56.048 -0.309 0.000 1.173 212 H CB 0.192 29.720 29.762 -0.390 0.000 1.335 212 H HN 0.235 nan 8.280 nan 0.000 0.614 213 S N -0.563 115.149 115.700 0.022 0.000 2.506 213 S HA -0.048 4.422 4.470 -0.000 0.000 0.219 213 S C 1.876 176.534 174.600 0.097 0.000 1.031 213 S CA 0.335 58.601 58.200 0.110 0.000 0.911 213 S CB 0.139 63.433 63.200 0.157 0.000 0.812 213 S HN 0.470 nan 8.310 nan 0.000 0.497 214 N N 1.184 119.881 118.700 -0.006 0.000 2.415 214 N HA -0.048 4.692 4.740 -0.000 0.000 0.176 214 N C 1.690 177.069 175.510 -0.219 0.000 1.042 214 N CA 1.877 54.885 53.050 -0.069 0.000 0.902 214 N CB -0.269 38.231 38.487 0.021 0.000 0.986 214 N HN 0.515 nan 8.380 nan 0.000 0.447 215 T N -2.839 111.565 114.554 -0.250 0.000 2.812 215 T HA -0.088 4.262 4.350 -0.000 0.000 0.264 215 T C 1.609 176.387 174.700 0.130 0.000 1.042 215 T CA 1.322 63.345 62.100 -0.129 0.000 1.140 215 T CB -0.689 68.019 68.868 -0.267 0.000 0.870 215 T HN 0.087 nan 8.240 nan 0.000 0.445 216 D N 0.833 121.283 120.400 0.084 0.000 2.263 216 D HA -0.067 4.573 4.640 -0.000 0.000 0.208 216 D C 2.343 178.666 176.300 0.039 0.000 0.971 216 D CA 0.532 54.632 54.000 0.166 0.000 0.867 216 D CB -0.189 40.717 40.800 0.177 0.000 0.929 216 D HN 0.231 nan 8.370 nan 0.000 0.492 217 R N -0.199 120.167 120.500 -0.222 0.000 2.066 217 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 217 R C 2.333 178.397 176.300 -0.394 0.000 1.131 217 R CA 0.704 56.326 56.100 -0.797 0.000 0.955 217 R CB -0.404 29.314 30.300 -0.970 0.000 0.851 217 R HN 0.298 nan 8.270 nan 0.000 0.432 218 L N 0.011 121.128 121.223 -0.176 0.000 2.042 218 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 218 L C 2.469 179.486 176.870 0.246 0.000 1.076 218 L CA 1.083 55.938 54.840 0.026 0.000 0.749 218 L CB -0.620 41.483 42.059 0.074 0.000 0.893 218 L HN 0.151 nan 8.230 nan 0.000 0.432 219 F N 1.078 121.072 119.950 0.074 0.000 2.161 219 F HA -0.249 4.278 4.527 -0.000 0.000 0.300 219 F C 2.349 178.213 175.800 0.108 0.000 1.089 219 F CA 1.152 59.136 58.000 -0.027 0.000 1.282 219 F CB -0.601 38.273 39.000 -0.209 0.000 1.010 219 F HN 0.028 nan 8.300 nan 0.000 0.485 220 A N 0.290 123.124 122.820 0.023 0.000 1.872 220 A HA -0.088 4.232 4.320 -0.000 0.000 0.214 220 A C 2.126 179.760 177.584 0.084 0.000 1.187 220 A CA 1.301 53.335 52.037 -0.004 0.000 0.614 220 A CB -1.305 17.667 19.000 -0.045 0.000 0.826 220 A HN 0.431 nan 8.150 nan 0.000 0.442 221 L N -1.143 120.104 121.223 0.041 0.000 2.043 221 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 221 L C 2.124 179.063 176.870 0.115 0.000 1.075 221 L CA 2.570 57.436 54.840 0.043 0.000 0.752 221 L CB -1.064 40.992 42.059 -0.006 0.000 0.891 221 L HN 0.645 nan 8.230 nan 0.000 0.432 222 W N 0.688 121.974 121.300 -0.024 0.000 2.354 222 W HA -0.220 4.440 4.660 -0.000 0.000 0.315 222 W C 2.503 178.969 176.519 -0.088 0.000 1.206 222 W CA 2.009 59.286 57.345 -0.113 0.000 1.290 222 W CB -0.376 28.941 29.460 -0.238 0.000 1.152 222 W HN 0.296 nan 8.180 nan 0.000 0.489 223 Q N -0.016 119.969 119.800 0.309 0.000 2.389 223 Q HA -0.249 4.091 4.340 -0.000 0.000 0.213 223 Q C 1.770 177.728 176.000 -0.071 0.000 0.989 223 Q CA 1.568 57.406 55.803 0.058 0.000 0.891 223 Q CB -0.254 28.558 28.738 0.124 0.000 0.923 223 Q HN 0.397 nan 8.270 nan 0.000 0.455 224 E N 0.377 120.553 120.200 -0.041 0.000 2.075 224 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 224 E C 1.886 178.443 176.600 -0.072 0.000 0.969 224 E CA 0.296 56.671 56.400 -0.041 0.000 0.815 224 E CB -0.309 29.374 29.700 -0.028 0.000 0.776 224 E HN 0.192 nan 8.360 nan 0.000 0.457 225 L N 1.830 122.979 121.223 -0.123 0.000 2.263 225 L HA -0.192 4.148 4.340 -0.000 0.000 0.216 225 L C 1.990 178.750 176.870 -0.182 0.000 1.111 225 L CA 1.620 56.398 54.840 -0.103 0.000 0.773 225 L CB -0.316 41.661 42.059 -0.137 0.000 0.906 225 L HN 0.039 nan 8.230 nan 0.000 0.439 226 Q N -0.892 118.679 119.800 -0.382 0.000 2.123 226 Q HA -0.139 4.201 4.340 -0.000 0.000 0.196 226 Q C 2.184 178.162 176.000 -0.037 0.000 0.958 226 Q CA 0.790 56.359 55.803 -0.389 0.000 0.841 226 Q CB -0.216 27.994 28.738 -0.881 0.000 0.915 226 Q HN 0.457 nan 8.270 nan 0.000 0.455 227 K N 0.508 120.868 120.400 -0.066 0.000 2.057 227 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 227 K C 1.906 178.521 176.600 0.024 0.000 1.050 227 K CA 0.747 57.026 56.287 -0.013 0.000 0.935 227 K CB -0.253 32.242 32.500 -0.009 0.000 0.715 227 K HN 0.090 nan 8.250 nan 0.000 0.439 228 F N 1.748 121.626 119.950 -0.120 0.000 2.269 228 F HA -0.109 4.418 4.527 -0.000 0.000 0.301 228 F C 2.180 177.871 175.800 -0.181 0.000 1.082 228 F CA 1.180 59.106 58.000 -0.123 0.000 1.360 228 F CB -0.039 38.899 39.000 -0.103 0.000 1.041 228 F HN -0.035 nan 8.300 nan 0.000 0.512 229 R N -0.260 120.133 120.500 -0.179 0.000 2.240 229 R HA 0.227 4.567 4.340 -0.000 0.000 0.203 229 R C 1.299 177.377 176.300 -0.370 0.000 1.011 229 R CA 1.015 56.927 56.100 -0.313 0.000 1.007 229 R CB -0.103 30.143 30.300 -0.090 0.000 0.911 229 R HN 0.370 nan 8.270 nan 0.000 0.468 230 G N -1.393 107.216 108.800 -0.319 0.000 2.234 230 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.153 230 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.153 230 G C -0.720 173.921 174.900 -0.433 0.000 1.013 230 G CA -0.386 44.471 45.100 -0.405 0.000 0.712 230 G HN 0.414 nan 8.290 nan 0.000 0.491 231 H N 0.161 119.131 119.070 -0.166 0.000 2.567 231 H HA 0.608 5.164 4.556 -0.000 0.000 0.345 231 H C -0.694 174.557 175.328 -0.128 0.000 1.169 231 H CA -0.441 55.520 56.048 -0.146 0.000 1.227 231 H CB 1.625 31.281 29.762 -0.177 0.000 1.607 231 H HN 0.098 nan 8.280 nan 0.000 0.534 232 D N 2.022 122.445 120.400 0.038 0.000 2.380 232 D HA 0.162 4.802 4.640 -0.000 0.000 0.230 232 D C -1.790 174.492 176.300 -0.031 0.000 1.154 232 D CA -2.069 51.918 54.000 -0.022 0.000 0.859 232 D CB 1.013 41.786 40.800 -0.045 0.000 1.045 232 D HN 0.192 nan 8.370 nan 0.000 0.495 233 P HA -0.202 nan 4.420 nan 0.000 0.206 233 P C 0.755 178.055 177.300 0.000 0.000 1.142 233 P CA 1.257 64.360 63.100 0.006 0.000 0.946 233 P CB 0.091 31.799 31.700 0.013 0.000 0.777 234 N N -0.907 117.782 118.700 -0.019 0.000 2.389 234 N HA -0.177 4.563 4.740 -0.000 0.000 0.194 234 N C 0.686 175.930 175.510 -0.444 0.000 1.008 234 N CA 0.998 53.976 53.050 -0.121 0.000 0.898 234 N CB -0.370 38.089 38.487 -0.047 0.000 0.957 234 N HN 0.395 nan 8.380 nan 0.000 0.447 235 E N -0.234 119.767 120.200 -0.332 0.000 2.235 235 E HA 0.484 4.834 4.350 -0.000 0.000 0.265 235 E C -1.220 175.177 176.600 -0.337 0.000 0.940 235 E CA -0.638 55.546 56.400 -0.359 0.000 0.819 235 E CB 1.822 31.408 29.700 -0.190 0.000 1.206 235 E HN -0.251 nan 8.360 nan 0.000 0.409 236 V N 2.824 122.543 119.914 -0.324 0.000 2.789 236 V HA 0.256 4.376 4.120 -0.000 0.000 0.311 236 V C -0.273 175.778 176.094 -0.073 0.000 1.073 236 V CA -0.890 61.298 62.300 -0.185 0.000 0.921 236 V CB 2.103 33.753 31.823 -0.289 0.000 1.009 236 V HN 0.628 nan 8.190 nan 0.000 0.426 237 N N 2.020 120.730 118.700 0.017 0.000 2.546 237 N HA 0.314 5.054 4.740 -0.000 0.000 0.286 237 N C -0.710 174.837 175.510 0.063 0.000 1.259 237 N CA 0.208 53.277 53.050 0.031 0.000 0.939 237 N CB 0.876 39.394 38.487 0.051 0.000 1.243 237 N HN 0.670 nan 8.380 nan 0.000 0.511 238 c N -1.224 117.416 118.600 0.067 0.000 3.239 238 c HA 0.583 5.153 4.570 -0.000 0.000 0.329 238 c C 0.545 174.707 174.090 0.119 0.000 1.252 238 c CA 0.078 56.476 56.329 0.115 0.000 1.323 238 c CB 0.803 43.433 42.510 0.199 0.000 1.663 238 c HN 0.542 nan 8.230 nan 0.000 0.487 239 A N 2.892 125.784 122.820 0.119 0.000 2.790 239 A HA -0.225 4.095 4.320 -0.000 0.000 0.277 239 A C 0.664 178.300 177.584 0.087 0.000 1.435 239 A CA 1.530 53.639 52.037 0.120 0.000 0.877 239 A CB -2.094 17.014 19.000 0.181 0.000 1.007 239 A HN 1.368 nan 8.150 nan 0.000 0.613 240 L N -0.392 120.865 121.223 0.056 0.000 2.450 240 L HA -0.093 4.247 4.340 -0.000 0.000 0.224 240 L C 2.198 179.093 176.870 0.041 0.000 1.149 240 L CA 2.095 56.956 54.840 0.035 0.000 0.816 240 L CB -0.648 41.418 42.059 0.012 0.000 0.932 240 L HN 0.725 nan 8.230 nan 0.000 0.449 241 E N 0.709 120.939 120.200 0.049 0.000 2.077 241 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 241 E C 1.951 178.584 176.600 0.055 0.000 0.989 241 E CA 1.762 58.190 56.400 0.046 0.000 0.800 241 E CB -0.465 29.263 29.700 0.047 0.000 0.746 241 E HN 0.672 nan 8.360 nan 0.000 0.452 242 M N -1.665 117.978 119.600 0.072 0.000 2.371 242 M HA 0.385 4.865 4.480 -0.000 0.000 0.246 242 M C 1.313 177.674 176.300 0.101 0.000 1.103 242 M CA 0.147 55.498 55.300 0.084 0.000 1.010 242 M CB 0.308 32.962 32.600 0.090 0.000 1.457 242 M HN -0.049 nan 8.290 nan 0.000 0.486 243 M N 1.447 121.104 119.600 0.095 0.000 2.722 243 M HA 0.097 4.577 4.480 -0.000 0.000 0.238 243 M C 1.517 177.875 176.300 0.097 0.000 1.098 243 M CA 1.000 56.368 55.300 0.113 0.000 1.062 243 M CB -0.601 32.044 32.600 0.075 0.000 1.573 243 M HN 0.400 nan 8.290 nan 0.000 0.531 244 R N -0.984 119.564 120.500 0.081 0.000 2.539 244 R HA 0.174 4.514 4.340 -0.000 0.000 0.342 244 R C -0.277 176.067 176.300 0.074 0.000 0.941 244 R CA -0.017 56.123 56.100 0.068 0.000 1.146 244 R CB 0.649 30.976 30.300 0.045 0.000 1.541 244 R HN 0.241 nan 8.270 nan 0.000 0.525 245 E N 3.401 123.652 120.200 0.084 0.000 2.129 245 E HA 0.164 4.514 4.350 -0.000 0.000 0.283 245 E C -2.112 174.553 176.600 0.109 0.000 1.080 245 E CA -2.430 54.022 56.400 0.086 0.000 0.867 245 E CB 0.819 30.567 29.700 0.080 0.000 1.056 245 E HN 0.063 nan 8.360 nan 0.000 0.404 246 P HA -0.152 nan 4.420 nan 0.000 0.261 246 P C -0.514 176.882 177.300 0.160 0.000 1.165 246 P CA 0.663 63.844 63.100 0.134 0.000 0.759 246 P CB 0.450 32.227 31.700 0.129 0.000 0.772 247 L N 3.797 125.137 121.223 0.195 0.000 2.380 247 L HA 0.172 4.512 4.340 -0.000 0.000 0.273 247 L C 1.315 178.280 176.870 0.158 0.000 1.138 247 L CA -0.035 54.949 54.840 0.241 0.000 0.832 247 L CB 0.160 42.415 42.059 0.327 0.000 1.124 247 L HN 0.257 nan 8.230 nan 0.000 0.454 248 K N 4.729 125.169 120.400 0.068 0.000 2.110 248 K HA 0.309 4.629 4.320 -0.000 0.000 0.263 248 K C -1.801 174.477 176.600 -0.537 0.000 0.975 248 K CA -1.512 54.649 56.287 -0.210 0.000 0.895 248 K CB 1.533 33.960 32.500 -0.122 0.000 1.060 248 K HN 0.346 nan 8.250 nan 0.000 0.448 249 P HA 0.014 nan 4.420 nan 0.000 0.261 249 P C 0.545 177.424 177.300 -0.702 0.000 1.268 249 P CA 0.216 62.458 63.100 -1.430 0.000 0.833 249 P CB 0.221 30.797 31.700 -1.872 0.000 1.231 250 F N 2.199 121.850 119.950 -0.499 0.000 2.257 250 F HA -0.222 4.305 4.527 -0.000 0.000 0.302 250 F C 2.554 178.318 175.800 -0.060 0.000 1.056 250 F CA 1.889 59.739 58.000 -0.250 0.000 1.353 250 F CB -1.697 37.178 39.000 -0.208 0.000 1.064 250 F HN 0.129 nan 8.300 nan 0.000 0.520 251 S N -0.801 115.012 115.700 0.187 0.000 2.421 251 S HA -0.115 4.355 4.470 -0.000 0.000 0.224 251 S C 1.969 176.752 174.600 0.305 0.000 1.035 251 S CA 0.284 58.629 58.200 0.240 0.000 0.953 251 S CB -1.048 62.294 63.200 0.236 0.000 0.810 251 S HN 0.123 nan 8.310 nan 0.000 0.497 252 F N 3.472 123.429 119.950 0.011 0.000 2.076 252 F HA 0.016 4.543 4.527 -0.000 0.000 0.294 252 F C 2.131 177.976 175.800 0.075 0.000 1.078 252 F CA 1.013 59.033 58.000 0.033 0.000 1.247 252 F CB -1.601 37.405 39.000 0.010 0.000 0.984 252 F HN 0.652 nan 8.300 nan 0.000 0.491 253 G N -1.080 107.890 108.800 0.284 0.000 2.693 253 G HA2 0.095 4.055 3.960 -0.000 0.000 0.226 253 G HA3 0.095 4.055 3.960 -0.000 0.000 0.226 253 G C -0.059 174.965 174.900 0.207 0.000 1.354 253 G CA -0.298 44.922 45.100 0.201 0.000 0.873 253 G HN 0.948 nan 8.290 nan 0.000 0.562 254 A N 0.351 123.254 122.820 0.137 0.000 2.520 254 A HA 0.551 4.871 4.320 -0.000 0.000 0.235 254 A C -0.398 177.244 177.584 0.096 0.000 1.065 254 A CA 0.617 52.714 52.037 0.100 0.000 0.764 254 A CB 0.042 19.077 19.000 0.059 0.000 1.002 254 A HN 0.936 nan 8.150 nan 0.000 0.502 255 P HA 0.229 nan 4.420 nan 0.000 0.259 255 P C -0.470 176.738 177.300 -0.154 0.000 1.530 255 P CA 0.550 63.602 63.100 -0.081 0.000 1.022 255 P CB -0.076 31.512 31.700 -0.186 0.000 1.514 256 Y N -0.302 120.105 120.300 0.179 0.000 2.467 256 Y HA 0.268 4.818 4.550 -0.000 0.000 0.250 256 Y C 0.611 176.665 175.900 0.257 0.000 1.155 256 Y CA -0.266 57.957 58.100 0.204 0.000 1.249 256 Y CB 0.483 39.064 38.460 0.201 0.000 1.146 256 Y HN -0.009 nan 8.280 nan 0.000 0.524 257 N N 0.229 119.133 118.700 0.340 0.000 2.594 257 N HA 0.184 4.923 4.740 -0.000 0.000 0.280 257 N C -0.435 175.207 175.510 0.220 0.000 1.156 257 N CA -0.074 53.181 53.050 0.342 0.000 0.831 257 N CB 0.561 39.237 38.487 0.315 0.000 1.379 257 N HN 0.085 nan 8.380 nan 0.000 0.536 258 L N 0.353 121.680 121.223 0.173 0.000 2.610 258 L HA 0.152 4.492 4.340 -0.000 0.000 0.232 258 L C 0.814 177.745 176.870 0.101 0.000 1.149 258 L CA 0.172 55.078 54.840 0.111 0.000 0.872 258 L CB -0.511 41.597 42.059 0.081 0.000 0.992 258 L HN 0.543 nan 8.230 nan 0.000 0.447 259 N N 1.587 120.360 118.700 0.122 0.000 2.499 259 N HA 0.106 4.846 4.740 -0.000 0.000 0.281 259 N C -1.795 173.763 175.510 0.080 0.000 1.098 259 N CA -1.583 51.522 53.050 0.091 0.000 0.979 259 N CB 1.958 40.501 38.487 0.093 0.000 1.121 259 N HN -0.116 nan 8.380 nan 0.000 0.466 260 P HA 0.092 nan 4.420 nan 0.000 0.229 260 P C 0.675 177.962 177.300 -0.021 0.000 1.160 260 P CA 0.573 63.691 63.100 0.030 0.000 0.855 260 P CB 0.524 32.240 31.700 0.026 0.000 0.898 261 T N -0.759 113.770 114.554 -0.042 0.000 2.904 261 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 261 T C 1.948 176.589 174.700 -0.099 0.000 1.059 261 T CA 1.576 63.588 62.100 -0.147 0.000 1.137 261 T CB -1.179 67.638 68.868 -0.086 0.000 0.879 261 T HN 0.099 nan 8.240 nan 0.000 0.467 262 T N 1.731 116.262 114.554 -0.038 0.000 2.622 262 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 262 T C 1.957 176.651 174.700 -0.009 0.000 1.047 262 T CA 1.662 63.707 62.100 -0.091 0.000 1.159 262 T CB -0.220 68.619 68.868 -0.048 0.000 0.863 262 T HN 0.488 nan 8.240 nan 0.000 0.422 263 K N 0.652 121.094 120.400 0.071 0.000 1.963 263 K HA -0.146 4.174 4.320 -0.000 0.000 0.216 263 K C 2.242 178.908 176.600 0.109 0.000 1.045 263 K CA 1.574 57.932 56.287 0.119 0.000 0.954 263 K CB -0.353 32.220 32.500 0.122 0.000 0.732 263 K HN 0.055 nan 8.250 nan 0.000 0.442 264 E N 0.739 120.980 120.200 0.068 0.000 2.324 264 E HA -0.220 4.130 4.350 -0.000 0.000 0.205 264 E C 0.156 176.911 176.600 0.258 0.000 1.031 264 E CA 1.416 57.880 56.400 0.107 0.000 0.836 264 E CB -0.181 29.542 29.700 0.038 0.000 0.742 264 E HN 0.522 nan 8.360 nan 0.000 0.491 265 H N -1.122 118.001 119.070 0.088 0.000 2.502 265 H HA 0.158 4.714 4.556 -0.000 0.000 0.268 265 H C 1.291 176.667 175.328 0.081 0.000 1.177 265 H CA 0.192 56.288 56.048 0.080 0.000 0.961 265 H CB 0.502 30.333 29.762 0.115 0.000 1.737 265 H HN 0.079 nan 8.280 nan 0.000 0.569 266 S N 0.055 115.871 115.700 0.193 0.000 2.489 266 S HA -0.029 4.441 4.470 -0.000 0.000 0.228 266 S C 0.826 175.516 174.600 0.149 0.000 0.995 266 S CA 0.075 58.373 58.200 0.163 0.000 0.934 266 S CB 0.043 63.351 63.200 0.180 0.000 0.771 266 S HN 0.301 nan 8.310 nan 0.000 0.522 267 K N 2.443 122.919 120.400 0.127 0.000 2.349 267 K HA 0.228 4.548 4.320 -0.000 0.000 0.289 267 K C -2.153 174.516 176.600 0.114 0.000 1.064 267 K CA -2.000 54.353 56.287 0.110 0.000 0.947 267 K CB 0.738 33.285 32.500 0.079 0.000 1.007 267 K HN -0.015 nan 8.250 nan 0.000 0.478 268 P HA -0.307 nan 4.420 nan 0.000 0.217 268 P C 1.047 178.543 177.300 0.326 0.000 1.151 268 P CA 1.414 64.630 63.100 0.193 0.000 0.849 268 P CB 0.157 31.984 31.700 0.213 0.000 0.787 269 E N -0.303 120.046 120.200 0.248 0.000 2.058 269 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 269 E C 0.910 177.601 176.600 0.151 0.000 0.997 269 E CA 1.331 57.850 56.400 0.197 0.000 0.801 269 E CB -1.247 28.453 29.700 0.001 0.000 0.746 269 E HN 0.146 nan 8.360 nan 0.000 0.450 270 D N 1.076 121.468 120.400 -0.012 0.000 2.370 270 D HA -0.037 4.603 4.640 -0.000 0.000 0.256 270 D C 0.548 176.580 176.300 -0.446 0.000 1.197 270 D CA 1.274 55.112 54.000 -0.270 0.000 0.922 270 D CB 0.139 40.786 40.800 -0.255 0.000 0.911 270 D HN 0.456 nan 8.370 nan 0.000 0.517 271 T N -4.540 109.967 114.554 -0.078 0.000 3.262 271 T HA 0.118 4.468 4.350 -0.000 0.000 0.300 271 T C 1.278 176.025 174.700 0.078 0.000 0.959 271 T CA -0.423 61.666 62.100 -0.017 0.000 0.936 271 T CB -0.655 68.358 68.868 0.242 0.000 1.169 271 T HN -0.173 nan 8.240 nan 0.000 0.532 272 F N 2.421 122.342 119.950 -0.048 0.000 2.163 272 F HA 0.233 4.760 4.527 -0.000 0.000 0.297 272 F C 1.361 177.168 175.800 0.011 0.000 1.094 272 F CA 0.589 58.586 58.000 -0.005 0.000 1.290 272 F CB -0.069 38.912 39.000 -0.031 0.000 1.017 272 F HN 0.225 nan 8.300 nan 0.000 0.483 273 D N -0.032 120.451 120.400 0.138 0.000 2.522 273 D HA 0.011 4.651 4.640 -0.000 0.000 0.218 273 D C 0.992 177.285 176.300 -0.012 0.000 1.149 273 D CA -0.253 53.739 54.000 -0.014 0.000 0.981 273 D CB -0.305 40.479 40.800 -0.026 0.000 1.041 273 D HN 0.213 nan 8.370 nan 0.000 0.518 274 Y N 2.544 122.829 120.300 -0.024 0.000 2.014 274 Y HA -0.213 4.337 4.550 -0.000 0.000 0.272 274 Y C 0.960 176.737 175.900 -0.205 0.000 1.164 274 Y CA 1.038 59.124 58.100 -0.024 0.000 1.114 274 Y CB -1.354 36.901 38.460 -0.341 0.000 0.961 274 Y HN 0.173 nan 8.280 nan 0.000 0.489 275 K N 1.523 121.611 120.400 -0.521 0.000 2.166 275 K HA 0.476 4.796 4.320 -0.000 0.000 0.273 275 K C 0.569 177.008 176.600 -0.269 0.000 1.095 275 K CA 0.506 56.594 56.287 -0.330 0.000 0.985 275 K CB 0.166 32.456 32.500 -0.350 0.000 1.172 275 K HN 0.692 nan 8.250 nan 0.000 0.401 276 G N 2.434 111.077 108.800 -0.262 0.000 3.819 276 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.210 276 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.210 276 G C 0.527 175.098 174.900 -0.547 0.000 1.018 276 G CA -0.385 44.510 45.100 -0.343 0.000 0.882 276 G HN 0.623 nan 8.290 nan 0.000 0.377 277 H N -0.356 118.448 119.070 -0.444 0.000 2.348 277 H HA 0.474 5.030 4.556 -0.000 0.000 0.313 277 H C 0.097 175.032 175.328 -0.654 0.000 1.051 277 H CA 0.545 56.246 56.048 -0.578 0.000 1.420 277 H CB 0.212 29.317 29.762 -1.097 0.000 1.484 277 H HN 0.255 nan 8.280 nan 0.000 0.609 278 F N 2.370 122.343 119.950 0.037 0.000 2.334 278 F HA 0.204 4.731 4.527 -0.000 0.000 0.367 278 F C -0.038 175.753 175.800 -0.013 0.000 1.115 278 F CA -0.980 57.041 58.000 0.036 0.000 1.116 278 F CB 0.690 39.871 39.000 0.302 0.000 1.230 278 F HN 0.198 nan 8.300 nan 0.000 0.484 279 H N 5.008 124.213 119.070 0.225 0.000 3.253 279 H HA 0.069 4.625 4.556 -0.000 0.000 0.250 279 H C -0.828 174.641 175.328 0.234 0.000 1.051 279 H CA 0.266 56.385 56.048 0.118 0.000 1.458 279 H CB -0.521 29.266 29.762 0.040 0.000 1.549 279 H HN 0.717 nan 8.280 nan 0.000 0.506 280 Y N 0.289 120.686 120.300 0.161 0.000 2.380 280 Y HA 0.405 4.955 4.550 -0.000 0.000 0.320 280 Y C -1.616 174.321 175.900 0.062 0.000 1.272 280 Y CA -1.040 57.106 58.100 0.077 0.000 1.165 280 Y CB 0.546 39.030 38.460 0.041 0.000 1.319 280 Y HN 0.314 nan 8.280 nan 0.000 0.443 281 E N 1.949 122.236 120.200 0.145 0.000 2.458 281 E HA 0.635 4.985 4.350 -0.000 0.000 0.250 281 E C -1.863 174.699 176.600 -0.063 0.000 0.883 281 E CA -1.012 55.429 56.400 0.069 0.000 0.868 281 E CB 1.617 31.375 29.700 0.096 0.000 1.593 281 E HN 0.526 nan 8.360 nan 0.000 0.410 282 Y N 1.139 121.544 120.300 0.174 0.000 2.446 282 Y HA 0.146 4.696 4.550 -0.000 0.000 0.345 282 Y C 0.723 176.668 175.900 0.075 0.000 0.984 282 Y CA -0.725 57.445 58.100 0.118 0.000 1.058 282 Y CB 1.340 39.818 38.460 0.029 0.000 1.220 282 Y HN 0.557 nan 8.280 nan 0.000 0.455 283 D N -0.148 120.379 120.400 0.211 0.000 2.149 283 D HA -0.199 4.441 4.640 -0.000 0.000 0.194 283 D C 0.020 176.254 176.300 -0.111 0.000 1.001 283 D CA 2.095 56.047 54.000 -0.079 0.000 0.849 283 D CB -0.105 40.549 40.800 -0.244 0.000 0.939 283 D HN 0.461 nan 8.370 nan 0.000 0.449 284 H N -1.739 117.437 119.070 0.177 0.000 3.017 284 H HA 0.568 5.124 4.556 -0.000 0.000 0.346 284 H C -0.840 174.480 175.328 -0.013 0.000 1.286 284 H CA -1.060 55.035 56.048 0.078 0.000 1.120 284 H CB 1.371 31.176 29.762 0.072 0.000 1.860 284 H HN -0.070 nan 8.280 nan 0.000 0.542 285 L N 2.394 123.670 121.223 0.089 0.000 2.485 285 L HA 0.365 4.705 4.340 -0.000 0.000 0.260 285 L C -0.855 175.984 176.870 -0.051 0.000 0.998 285 L CA -0.325 54.486 54.840 -0.047 0.000 0.883 285 L CB 0.964 43.017 42.059 -0.009 0.000 1.196 285 L HN 0.606 nan 8.230 nan 0.000 0.443 286 E N 3.580 123.736 120.200 -0.073 0.000 2.381 286 E HA 0.397 4.747 4.350 -0.000 0.000 0.286 286 E C -1.529 175.033 176.600 -0.063 0.000 0.960 286 E CA -0.893 55.468 56.400 -0.064 0.000 0.793 286 E CB 3.096 32.757 29.700 -0.066 0.000 1.225 286 E HN 0.278 nan 8.360 nan 0.000 0.420 287 L N 2.802 124.000 121.223 -0.043 0.000 2.289 287 L HA 0.209 4.549 4.340 -0.000 0.000 0.285 287 L C 0.374 177.251 176.870 0.012 0.000 1.049 287 L CA -0.132 54.700 54.840 -0.013 0.000 0.804 287 L CB 0.663 42.733 42.059 0.018 0.000 1.195 287 L HN 0.639 nan 8.230 nan 0.000 0.428 288 Q N 3.590 123.400 119.800 0.017 0.000 2.461 288 Q HA -0.237 4.103 4.340 -0.000 0.000 0.273 288 Q C 0.890 176.842 176.000 -0.081 0.000 1.163 288 Q CA 0.933 56.706 55.803 -0.050 0.000 0.929 288 Q CB -1.665 26.954 28.738 -0.199 0.000 1.334 288 Q HN 1.224 nan 8.270 nan 0.000 0.499 289 G N -0.320 108.455 108.800 -0.041 0.000 2.179 289 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.257 289 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.257 289 G C 0.176 175.020 174.900 -0.093 0.000 1.010 289 G CA 0.866 45.931 45.100 -0.058 0.000 0.736 289 G HN 0.349 nan 8.290 nan 0.000 0.513 290 M N 0.603 120.147 119.600 -0.093 0.000 2.300 290 M HA 0.306 4.786 4.480 -0.000 0.000 0.348 290 M C 0.522 176.769 176.300 -0.089 0.000 1.151 290 M CA -0.830 54.409 55.300 -0.101 0.000 1.046 290 M CB 0.863 33.390 32.600 -0.121 0.000 1.647 290 M HN 0.048 nan 8.290 nan 0.000 0.451 291 N N 0.917 119.557 118.700 -0.100 0.000 2.307 291 N HA -0.003 4.737 4.740 -0.000 0.000 0.230 291 N C 0.985 176.415 175.510 -0.134 0.000 1.297 291 N CA 0.011 52.987 53.050 -0.124 0.000 0.884 291 N CB 1.006 39.407 38.487 -0.143 0.000 1.115 291 N HN 0.444 nan 8.380 nan 0.000 0.436 292 V N 1.424 121.224 119.914 -0.190 0.000 2.295 292 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 292 V C 2.513 178.406 176.094 -0.335 0.000 1.049 292 V CA 1.879 64.045 62.300 -0.223 0.000 1.024 292 V CB -0.560 31.093 31.823 -0.283 0.000 0.648 292 V HN 0.676 nan 8.190 nan 0.000 0.447 293 Q N 0.786 120.245 119.800 -0.568 0.000 1.985 293 Q HA -0.285 4.055 4.340 -0.000 0.000 0.207 293 Q C 2.307 178.270 176.000 -0.063 0.000 0.996 293 Q CA 2.402 57.900 55.803 -0.508 0.000 0.851 293 Q CB -0.480 28.040 28.738 -0.363 0.000 0.921 293 Q HN 0.469 nan 8.270 nan 0.000 0.418 294 R N -0.572 119.890 120.500 -0.063 0.000 2.185 294 R HA -0.168 4.172 4.340 -0.000 0.000 0.247 294 R C 2.199 178.545 176.300 0.076 0.000 1.159 294 R CA 1.581 57.684 56.100 0.004 0.000 0.988 294 R CB -0.310 29.970 30.300 -0.034 0.000 0.871 294 R HN 0.388 nan 8.270 nan 0.000 0.458 295 L N -1.615 119.653 121.223 0.075 0.000 2.007 295 L HA -0.179 4.161 4.340 -0.000 0.000 0.205 295 L C 2.471 179.472 176.870 0.218 0.000 1.073 295 L CA 1.545 56.472 54.840 0.145 0.000 0.744 295 L CB -0.813 41.299 42.059 0.087 0.000 0.898 295 L HN 0.321 nan 8.230 nan 0.000 0.435 296 H N 0.257 119.411 119.070 0.140 0.000 2.457 296 H HA -0.190 4.366 4.556 -0.000 0.000 0.297 296 H C 1.732 177.159 175.328 0.164 0.000 1.092 296 H CA 1.641 57.804 56.048 0.192 0.000 1.309 296 H CB -0.154 29.852 29.762 0.406 0.000 1.382 296 H HN 0.290 nan 8.280 nan 0.000 0.535 297 D N -1.124 119.266 120.400 -0.016 0.000 2.183 297 D HA -0.131 4.509 4.640 -0.000 0.000 0.205 297 D C 1.627 177.964 176.300 0.062 0.000 0.962 297 D CA 0.688 54.643 54.000 -0.075 0.000 0.849 297 D CB -0.283 40.522 40.800 0.008 0.000 0.978 297 D HN 0.414 nan 8.370 nan 0.000 0.488 298 Y N 1.765 122.073 120.300 0.013 0.000 2.263 298 Y HA -0.140 4.410 4.550 -0.000 0.000 0.292 298 Y C 2.039 177.973 175.900 0.057 0.000 1.130 298 Y CA 0.813 58.946 58.100 0.055 0.000 1.179 298 Y CB -0.171 38.344 38.460 0.092 0.000 0.998 298 Y HN -0.166 nan 8.280 nan 0.000 0.532 299 I N 0.759 121.378 120.570 0.081 0.000 2.072 299 I HA -0.346 3.824 4.170 -0.000 0.000 0.235 299 I C 2.390 178.472 176.117 -0.058 0.000 1.058 299 I CA 1.597 62.886 61.300 -0.017 0.000 1.320 299 I CB -1.666 36.378 38.000 0.075 0.000 1.047 299 I HN 0.309 nan 8.210 nan 0.000 0.397 300 N N 1.020 119.707 118.700 -0.022 0.000 2.184 300 N HA -0.281 4.459 4.740 -0.000 0.000 0.190 300 N C 1.827 177.305 175.510 -0.054 0.000 1.011 300 N CA 1.749 54.783 53.050 -0.027 0.000 0.867 300 N CB -0.130 38.331 38.487 -0.044 0.000 0.993 300 N HN 0.443 nan 8.380 nan 0.000 0.433 301 Q N 0.202 119.951 119.800 -0.086 0.000 2.364 301 Q HA -0.048 4.292 4.340 -0.000 0.000 0.207 301 Q C 1.576 177.512 176.000 -0.105 0.000 0.970 301 Q CA 1.278 57.031 55.803 -0.083 0.000 0.888 301 Q CB 0.016 28.703 28.738 -0.085 0.000 0.951 301 Q HN 0.286 nan 8.270 nan 0.000 0.469 302 Q N 0.022 119.735 119.800 -0.146 0.000 2.259 302 Q HA 0.073 4.413 4.340 -0.000 0.000 0.201 302 Q C 0.612 176.590 176.000 -0.037 0.000 0.938 302 Q CA 0.610 56.341 55.803 -0.120 0.000 0.872 302 Q CB 0.235 28.878 28.738 -0.159 0.000 0.971 302 Q HN 0.342 nan 8.270 nan 0.000 0.494 303 K N 1.689 122.073 120.400 -0.026 0.000 3.354 303 K HA -0.085 4.235 4.320 -0.000 0.000 0.295 303 K C 0.283 176.884 176.600 0.003 0.000 0.831 303 K CA 0.451 56.740 56.287 0.003 0.000 1.056 303 K CB -0.089 32.415 32.500 0.007 0.000 1.090 303 K HN 0.233 nan 8.250 nan 0.000 0.410 304 E N -0.682 119.517 120.200 -0.002 0.000 2.676 304 E HA 0.149 4.499 4.350 -0.000 0.000 0.225 304 E C -0.733 175.871 176.600 0.006 0.000 0.944 304 E CA -0.205 56.196 56.400 0.002 0.000 1.156 304 E CB 1.166 30.863 29.700 -0.004 0.000 1.117 304 E HN 0.298 nan 8.360 nan 0.000 0.523 305 A N 0.786 123.607 122.820 0.002 0.000 2.498 305 A HA 0.433 4.753 4.320 -0.000 0.000 0.298 305 A C -1.335 176.232 177.584 -0.027 0.000 1.075 305 A CA -0.897 51.138 52.037 -0.003 0.000 0.714 305 A CB 1.035 20.032 19.000 -0.005 0.000 1.299 305 A HN -0.008 nan 8.150 nan 0.000 0.407 306 D N 1.414 121.786 120.400 -0.047 0.000 2.458 306 D HA 0.330 4.970 4.640 -0.000 0.000 0.243 306 D C 0.386 176.581 176.300 -0.175 0.000 1.146 306 D CA 0.722 54.622 54.000 -0.166 0.000 0.877 306 D CB 0.748 41.455 40.800 -0.154 0.000 1.176 306 D HN 0.476 nan 8.370 nan 0.000 0.461 307 R N 0.550 120.922 120.500 -0.214 0.000 3.055 307 R HA 0.833 5.173 4.340 -0.000 0.000 0.231 307 R C -0.724 175.473 176.300 -0.173 0.000 1.443 307 R CA -1.057 54.956 56.100 -0.145 0.000 1.063 307 R CB 1.266 31.570 30.300 0.006 0.000 1.514 307 R HN 0.172 nan 8.270 nan 0.000 0.510 308 V N 0.912 120.716 119.914 -0.184 0.000 2.924 308 V HA 0.475 4.595 4.120 -0.000 0.000 0.300 308 V C -1.694 174.352 176.094 -0.080 0.000 1.227 308 V CA -0.658 61.642 62.300 0.001 0.000 0.954 308 V CB 1.828 33.670 31.823 0.032 0.000 1.055 308 V HN 0.474 nan 8.190 nan 0.000 0.429 309 F N 1.769 121.737 119.950 0.029 0.000 2.620 309 F HA 0.901 5.428 4.527 -0.000 0.000 0.320 309 F C 0.452 176.244 175.800 -0.015 0.000 1.069 309 F CA -0.706 57.295 58.000 0.000 0.000 0.953 309 F CB 1.931 40.898 39.000 -0.054 0.000 1.322 309 F HN 0.586 nan 8.300 nan 0.000 0.479 310 A N 0.135 123.026 122.820 0.118 0.000 2.294 310 A HA 0.794 5.114 4.320 -0.000 0.000 0.330 310 A C -0.198 177.271 177.584 -0.192 0.000 1.133 310 A CA -0.307 51.668 52.037 -0.103 0.000 0.836 310 A CB 0.648 19.479 19.000 -0.282 0.000 1.190 310 A HN 0.968 nan 8.150 nan 0.000 0.492 311 G N -0.082 108.504 108.800 -0.357 0.000 2.417 311 G HA2 0.589 4.549 3.960 -0.000 0.000 0.320 311 G HA3 0.589 4.549 3.960 -0.000 0.000 0.320 311 G C -1.178 173.455 174.900 -0.444 0.000 1.204 311 G CA -0.275 44.645 45.100 -0.298 0.000 0.923 311 G HN 0.400 nan 8.290 nan 0.000 0.466 312 F N 1.496 121.403 119.950 -0.071 0.000 2.493 312 F HA 0.369 4.896 4.527 -0.000 0.000 0.329 312 F C 0.044 175.849 175.800 0.008 0.000 1.126 312 F CA -0.794 57.212 58.000 0.010 0.000 0.937 312 F CB 2.729 41.805 39.000 0.126 0.000 1.146 312 F HN 0.303 nan 8.300 nan 0.000 0.442 313 L N 5.954 127.214 121.223 0.063 0.000 2.475 313 L HA 0.443 4.783 4.340 -0.000 0.000 0.253 313 L C -0.690 176.212 176.870 0.054 0.000 1.137 313 L CA -0.054 54.802 54.840 0.028 0.000 1.058 313 L CB -0.423 41.585 42.059 -0.085 0.000 1.382 313 L HN 0.462 nan 8.230 nan 0.000 0.416 314 L N 2.341 123.718 121.223 0.256 0.000 2.461 314 L HA 0.179 4.519 4.340 -0.000 0.000 0.272 314 L C 1.132 177.972 176.870 -0.050 0.000 1.197 314 L CA 0.391 55.388 54.840 0.262 0.000 0.836 314 L CB 0.570 42.967 42.059 0.565 0.000 1.105 314 L HN 0.576 nan 8.230 nan 0.000 0.477 315 E N 0.927 120.891 120.200 -0.394 0.000 2.505 315 E HA 0.188 4.538 4.350 -0.000 0.000 0.212 315 E C 0.280 175.996 176.600 -1.473 0.000 0.825 315 E CA 0.454 56.332 56.400 -0.870 0.000 1.333 315 E CB 0.945 30.383 29.700 -0.438 0.000 1.319 315 E HN 0.835 nan 8.360 nan 0.000 0.658 316 G N 2.613 110.926 108.800 -0.811 0.000 3.439 316 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.684 316 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.684 316 G C 0.327 175.043 174.900 -0.307 0.000 1.005 316 G CA -0.047 44.724 45.100 -0.548 0.000 0.837 316 G HN 0.115 nan 8.290 nan 0.000 0.470 317 I N 1.474 121.991 120.570 -0.089 0.000 2.162 317 I HA 0.199 4.369 4.170 -0.000 0.000 0.238 317 I C 2.491 178.585 176.117 -0.040 0.000 1.076 317 I CA 2.502 63.771 61.300 -0.052 0.000 1.353 317 I CB -1.306 36.693 38.000 -0.002 0.000 1.063 317 I HN 1.886 nan 8.210 nan 0.000 0.408 318 G N -0.760 108.030 108.800 -0.016 0.000 2.870 318 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.216 318 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.216 318 G C 0.363 175.246 174.900 -0.029 0.000 0.973 318 G CA 0.222 45.313 45.100 -0.015 0.000 0.807 318 G HN 0.467 nan 8.290 nan 0.000 0.573 319 T N 0.381 114.924 114.554 -0.019 0.000 2.982 319 T HA 0.577 4.927 4.350 -0.000 0.000 0.321 319 T C -0.290 174.419 174.700 0.015 0.000 1.229 319 T CA 0.321 62.420 62.100 -0.002 0.000 1.044 319 T CB 1.526 70.459 68.868 0.108 0.000 1.184 319 T HN 0.281 nan 8.240 nan 0.000 0.477 320 S N 2.249 117.932 115.700 -0.029 0.000 2.549 320 S HA 0.655 5.125 4.470 -0.000 0.000 0.283 320 S C 0.200 174.918 174.600 0.198 0.000 1.320 320 S CA -0.244 57.976 58.200 0.033 0.000 1.058 320 S CB 0.620 63.771 63.200 -0.083 0.000 0.882 320 S HN 0.925 nan 8.310 nan 0.000 0.498 321 A N 2.054 124.962 122.820 0.147 0.000 2.478 321 A HA 0.837 5.157 4.320 -0.000 0.000 0.283 321 A C -0.987 176.698 177.584 0.169 0.000 1.237 321 A CA -0.663 51.457 52.037 0.138 0.000 0.770 321 A CB 1.245 20.287 19.000 0.070 0.000 1.345 321 A HN 0.931 nan 8.150 nan 0.000 0.435 322 H N -0.908 118.165 119.070 0.004 0.000 3.083 322 H HA 0.584 5.140 4.556 -0.000 0.000 0.339 322 H C -1.545 173.712 175.328 -0.120 0.000 1.020 322 H CA -0.532 55.496 56.048 -0.033 0.000 1.360 322 H CB 0.784 30.546 29.762 0.000 0.000 1.811 322 H HN 0.850 nan 8.280 nan 0.000 0.493 323 L N 1.943 122.653 121.223 -0.854 0.000 2.341 323 L HA 0.784 5.124 4.340 -0.000 0.000 0.267 323 L C -1.221 175.225 176.870 -0.706 0.000 1.009 323 L CA -0.942 53.433 54.840 -0.775 0.000 0.819 323 L CB 2.424 44.152 42.059 -0.552 0.000 1.323 323 L HN 0.608 nan 8.230 nan 0.000 0.425 324 D N 1.640 121.838 120.400 -0.336 0.000 2.879 324 D HA 0.448 5.088 4.640 -0.000 0.000 0.236 324 D C -1.065 175.232 176.300 -0.005 0.000 1.171 324 D CA -0.183 53.806 54.000 -0.019 0.000 0.868 324 D CB 2.111 43.005 40.800 0.157 0.000 1.598 324 D HN 0.498 nan 8.370 nan 0.000 0.497 325 F N -0.057 119.799 119.950 -0.157 0.000 2.469 325 F HA 0.656 5.183 4.527 -0.000 0.000 0.332 325 F C 0.595 176.236 175.800 -0.266 0.000 1.103 325 F CA -1.004 56.938 58.000 -0.097 0.000 0.979 325 F CB 1.439 40.538 39.000 0.165 0.000 1.137 325 F HN 0.349 nan 8.300 nan 0.000 0.463 326 S N 3.614 119.187 115.700 -0.212 0.000 2.430 326 S HA 0.706 5.176 4.470 -0.000 0.000 0.246 326 S C -0.332 174.210 174.600 -0.096 0.000 1.155 326 S CA -0.176 57.849 58.200 -0.291 0.000 1.054 326 S CB 1.090 64.185 63.200 -0.175 0.000 1.154 326 S HN 1.148 nan 8.310 nan 0.000 0.482 327 I N 0.235 120.768 120.570 -0.062 0.000 2.739 327 I HA 0.238 4.408 4.170 -0.000 0.000 0.289 327 I C -1.318 174.790 176.117 -0.014 0.000 1.721 327 I CA -0.655 60.633 61.300 -0.020 0.000 0.770 327 I CB -0.486 37.435 38.000 -0.131 0.000 1.821 327 I HN 0.752 nan 8.210 nan 0.000 0.536 328 c N 3.558 122.178 118.600 0.033 0.000 2.597 328 c HA 0.454 5.024 4.570 -0.000 0.000 0.412 328 c C 1.589 175.726 174.090 0.078 0.000 1.348 328 c CA 0.254 56.609 56.329 0.044 0.000 1.769 328 c CB -0.574 41.968 42.510 0.054 0.000 2.641 328 c HN 0.698 nan 8.230 nan 0.000 0.612 329 A N 2.919 125.775 122.820 0.060 0.000 2.296 329 A HA 0.523 4.843 4.320 -0.000 0.000 0.264 329 A C 1.224 178.854 177.584 0.077 0.000 1.097 329 A CA -0.155 51.931 52.037 0.082 0.000 0.811 329 A CB 0.009 19.042 19.000 0.055 0.000 1.072 329 A HN 1.115 nan 8.150 nan 0.000 0.495 330 I N -1.688 118.929 120.570 0.079 0.000 2.530 330 I HA -0.160 4.010 4.170 -0.000 0.000 0.257 330 I C 1.390 177.533 176.117 0.042 0.000 1.179 330 I CA 2.293 63.627 61.300 0.056 0.000 1.440 330 I CB -0.538 37.491 38.000 0.049 0.000 1.087 330 I HN 0.625 nan 8.210 nan 0.000 0.440 331 D N 1.526 121.951 120.400 0.041 0.000 2.092 331 D HA -0.081 4.559 4.640 -0.000 0.000 0.193 331 D C 1.995 178.311 176.300 0.027 0.000 0.994 331 D CA 2.472 56.490 54.000 0.031 0.000 0.828 331 D CB -0.276 40.541 40.800 0.027 0.000 0.963 331 D HN 0.585 nan 8.370 nan 0.000 0.450 332 G N -0.272 108.545 108.800 0.029 0.000 2.273 332 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.162 332 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.162 332 G C -0.373 174.540 174.900 0.021 0.000 1.006 332 G CA -0.049 45.066 45.100 0.025 0.000 0.704 332 G HN 0.365 nan 8.290 nan 0.000 0.487 333 E N 1.220 121.433 120.200 0.022 0.000 2.001 333 E HA 0.455 4.804 4.350 -0.000 0.000 0.279 333 E C 0.545 177.154 176.600 0.014 0.000 1.045 333 E CA -0.509 55.900 56.400 0.016 0.000 0.833 333 E CB 0.710 30.419 29.700 0.014 0.000 1.077 333 E HN 0.348 nan 8.360 nan 0.000 0.397 334 c N 2.131 120.739 118.600 0.012 0.000 2.480 334 c HA 0.502 5.072 4.570 -0.000 0.000 0.344 334 c C 0.628 174.715 174.090 -0.006 0.000 1.380 334 c CA -0.413 55.919 56.329 0.005 0.000 2.386 334 c CB 0.614 43.128 42.510 0.006 0.000 2.210 334 c HN 0.616 nan 8.230 nan 0.000 0.640 335 T N -0.128 114.410 114.554 -0.025 0.000 3.483 335 T HA 0.171 4.521 4.350 -0.000 0.000 0.329 335 T C -0.708 173.962 174.700 -0.050 0.000 1.014 335 T CA -0.223 61.863 62.100 -0.023 0.000 1.056 335 T CB 0.293 69.136 68.868 -0.041 0.000 1.090 335 T HN 0.765 nan 8.240 nan 0.000 0.460 336 H N 2.186 121.207 119.070 -0.082 0.000 3.140 336 H HA 0.159 4.715 4.556 -0.000 0.000 0.316 336 H C 0.725 175.934 175.328 -0.198 0.000 0.986 336 H CA 1.077 57.052 56.048 -0.123 0.000 1.397 336 H CB 0.787 30.504 29.762 -0.074 0.000 1.377 336 H HN 0.861 nan 8.280 nan 0.000 0.585 337 A N 3.471 125.949 122.820 -0.570 0.000 2.141 337 A HA 0.396 4.716 4.320 -0.000 0.000 0.201 337 A C 0.914 178.105 177.584 -0.656 0.000 1.344 337 A CA 0.738 52.470 52.037 -0.508 0.000 0.971 337 A CB 0.707 19.398 19.000 -0.514 0.000 1.035 337 A HN 0.846 nan 8.150 nan 0.000 0.480 338 G N -1.743 106.393 108.800 -1.106 0.000 2.342 338 G HA2 0.547 4.507 3.960 -0.000 0.000 0.297 338 G HA3 0.547 4.507 3.960 -0.000 0.000 0.297 338 G C -1.188 173.742 174.900 0.049 0.000 1.313 338 G CA 0.107 44.862 45.100 -0.576 0.000 0.830 338 G HN 1.207 nan 8.290 nan 0.000 0.506 339 Y N -2.135 118.640 120.300 0.791 0.000 2.779 339 Y HA 0.821 5.371 4.550 -0.000 0.000 0.340 339 Y C -1.167 175.303 175.900 0.951 0.000 1.252 339 Y CA -1.870 56.639 58.100 0.682 0.000 1.072 339 Y CB 1.020 39.737 38.460 0.429 0.000 1.343 339 Y HN 1.489 nan 8.280 nan 0.000 0.450 340 F N -1.018 119.390 119.950 0.763 0.000 2.817 340 F HA 0.802 5.329 4.527 -0.000 0.000 0.317 340 F C -2.322 173.748 175.800 0.450 0.000 1.168 340 F CA -1.187 57.178 58.000 0.609 0.000 0.911 340 F CB 1.536 40.764 39.000 0.380 0.000 1.337 340 F HN 0.564 nan 8.300 nan 0.000 0.464 341 D N -0.205 120.514 120.400 0.532 0.000 2.837 341 D HA 0.588 5.228 4.640 -0.000 0.000 0.220 341 D C -1.090 175.361 176.300 0.252 0.000 1.236 341 D CA -0.675 53.531 54.000 0.342 0.000 0.838 341 D CB 2.071 43.081 40.800 0.351 0.000 1.647 341 D HN 0.504 nan 8.370 nan 0.000 0.486 342 V N 0.056 120.100 119.914 0.216 0.000 3.503 342 V HA 0.572 4.692 4.120 -0.000 0.000 0.294 342 V C -0.258 175.849 176.094 0.022 0.000 1.102 342 V CA -1.087 61.290 62.300 0.130 0.000 0.979 342 V CB 1.240 33.196 31.823 0.221 0.000 1.240 342 V HN 0.636 nan 8.190 nan 0.000 0.444 343 L N 0.803 121.988 121.223 -0.062 0.000 2.492 343 L HA 0.775 5.115 4.340 -0.000 0.000 0.258 343 L C 0.111 176.860 176.870 -0.201 0.000 1.028 343 L CA 0.213 54.944 54.840 -0.180 0.000 0.900 343 L CB 0.484 42.353 42.059 -0.317 0.000 1.191 343 L HN 0.742 nan 8.230 nan 0.000 0.459 344 G N 1.840 110.547 108.800 -0.154 0.000 2.606 344 G HA2 0.795 4.755 3.960 -0.000 0.000 0.262 344 G HA3 0.795 4.755 3.960 -0.000 0.000 0.262 344 G C -0.406 174.293 174.900 -0.334 0.000 1.394 344 G CA -0.487 44.526 45.100 -0.145 0.000 1.044 344 G HN 0.974 nan 8.290 nan 0.000 0.553 345 G N -2.070 106.557 108.800 -0.290 0.000 2.146 345 G HA2 0.457 4.417 3.960 -0.000 0.000 0.261 345 G HA3 0.457 4.417 3.960 -0.000 0.000 0.261 345 G C 0.495 175.269 174.900 -0.209 0.000 1.745 345 G CA 0.820 45.653 45.100 -0.445 0.000 0.905 345 G HN 1.365 nan 8.290 nan 0.000 0.746 346 S N 1.323 116.995 115.700 -0.046 0.000 2.378 346 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 346 S C 2.055 176.750 174.600 0.159 0.000 1.052 346 S CA 2.013 60.298 58.200 0.141 0.000 1.084 346 S CB -0.207 63.173 63.200 0.299 0.000 0.950 346 S HN 0.750 nan 8.310 nan 0.000 0.440 347 L N 2.591 123.977 121.223 0.271 0.000 2.660 347 L HA 0.308 4.648 4.340 -0.000 0.000 0.238 347 L C 0.927 177.922 176.870 0.209 0.000 1.161 347 L CA 0.325 55.334 54.840 0.282 0.000 0.937 347 L CB -1.399 40.937 42.059 0.461 0.000 1.122 347 L HN 0.589 nan 8.230 nan 0.000 0.435 348 E N -1.338 118.905 120.200 0.072 0.000 2.376 348 E HA 0.319 4.669 4.350 -0.000 0.000 0.254 348 E C -0.290 176.250 176.600 -0.100 0.000 1.213 348 E CA -0.520 55.861 56.400 -0.032 0.000 0.945 348 E CB 0.231 29.886 29.700 -0.076 0.000 1.057 348 E HN 0.194 nan 8.360 nan 0.000 0.479 349 T N -0.424 113.977 114.554 -0.254 0.000 2.770 349 T HA 0.348 4.698 4.350 -0.000 0.000 0.283 349 T C -2.248 172.357 174.700 -0.159 0.000 0.988 349 T CA -2.020 59.767 62.100 -0.521 0.000 0.957 349 T CB 1.048 69.575 68.868 -0.567 0.000 0.930 349 T HN 0.357 nan 8.240 nan 0.000 0.443 350 P HA 0.068 nan 4.420 nan 0.000 0.265 350 P C -0.466 176.810 177.300 -0.040 0.000 1.187 350 P CA -0.112 62.904 63.100 -0.140 0.000 0.766 350 P CB 0.563 32.158 31.700 -0.175 0.000 0.820 351 W N 1.546 122.724 121.300 -0.203 0.000 3.074 351 W HA 0.491 5.151 4.660 -0.000 0.000 0.332 351 W C -1.578 174.800 176.519 -0.236 0.000 1.253 351 W CA -0.973 56.235 57.345 -0.227 0.000 1.180 351 W CB 1.010 30.296 29.460 -0.290 0.000 1.445 351 W HN 0.481 nan 8.180 nan 0.000 0.573 352 Q N 0.653 120.411 119.800 -0.069 0.000 2.340 352 Q HA 0.588 4.928 4.340 -0.000 0.000 0.276 352 Q C -1.989 174.033 176.000 0.037 0.000 1.048 352 Q CA -0.807 54.906 55.803 -0.150 0.000 0.832 352 Q CB 2.859 31.510 28.738 -0.145 0.000 1.373 352 Q HN 0.375 nan 8.270 nan 0.000 0.409 353 F N 1.854 121.932 119.950 0.214 0.000 2.382 353 F HA 0.103 4.630 4.527 -0.000 0.000 0.331 353 F C 1.123 176.966 175.800 0.073 0.000 1.121 353 F CA -0.251 57.835 58.000 0.144 0.000 1.183 353 F CB 1.028 40.102 39.000 0.122 0.000 1.207 353 F HN 0.776 nan 8.300 nan 0.000 0.555 354 D N 0.140 120.699 120.400 0.265 0.000 2.355 354 D HA -0.021 4.619 4.640 -0.000 0.000 0.218 354 D C 0.290 176.662 176.300 0.120 0.000 1.004 354 D CA 0.341 54.426 54.000 0.141 0.000 0.880 354 D CB -0.019 40.846 40.800 0.108 0.000 0.911 354 D HN 0.528 nan 8.370 nan 0.000 0.528 355 R N -0.836 119.747 120.500 0.138 0.000 2.885 355 R HA 0.554 4.894 4.340 -0.000 0.000 0.260 355 R C -0.585 175.753 176.300 0.064 0.000 1.107 355 R CA -1.018 55.123 56.100 0.068 0.000 0.978 355 R CB 0.789 31.108 30.300 0.032 0.000 1.227 355 R HN -0.092 nan 8.270 nan 0.000 0.473 356 L N 1.169 122.406 121.223 0.023 0.000 2.436 356 L HA 0.273 4.613 4.340 -0.000 0.000 0.265 356 L C -0.291 176.590 176.870 0.017 0.000 1.168 356 L CA -0.748 54.108 54.840 0.026 0.000 0.815 356 L CB 0.425 42.472 42.059 -0.020 0.000 1.109 356 L HN 0.559 nan 8.230 nan 0.000 0.462 357 Y N 3.163 123.414 120.300 -0.081 0.000 2.425 357 Y HA 0.264 4.814 4.550 -0.000 0.000 0.347 357 Y C -0.054 175.818 175.900 -0.046 0.000 0.976 357 Y CA -0.635 57.368 58.100 -0.162 0.000 1.190 357 Y CB 0.400 38.697 38.460 -0.272 0.000 1.136 357 Y HN 0.466 nan 8.280 nan 0.000 0.517 358 K N 5.497 125.598 120.400 -0.498 0.000 2.098 358 K HA 0.314 4.634 4.320 -0.000 0.000 0.244 358 K C -1.787 174.435 176.600 -0.631 0.000 1.014 358 K CA -0.864 55.164 56.287 -0.431 0.000 0.917 358 K CB 1.510 33.837 32.500 -0.290 0.000 1.072 358 K HN 0.817 nan 8.250 nan 0.000 0.477 359 Y N 0.650 120.775 120.300 -0.292 0.000 2.262 359 Y HA 0.036 4.586 4.550 -0.000 0.000 0.317 359 Y C -1.036 174.835 175.900 -0.047 0.000 1.230 359 Y CA -0.758 57.194 58.100 -0.246 0.000 1.166 359 Y CB 1.265 39.625 38.460 -0.167 0.000 1.254 359 Y HN 0.714 nan 8.280 nan 0.000 0.405 360 E N 6.290 126.503 120.200 0.022 0.000 2.452 360 E HA 0.080 4.430 4.350 -0.000 0.000 0.261 360 E C 0.391 176.899 176.600 -0.154 0.000 0.987 360 E CA 0.409 56.433 56.400 -0.626 0.000 0.926 360 E CB 0.550 29.767 29.700 -0.804 0.000 0.934 360 E HN 0.701 nan 8.360 nan 0.000 0.452 361 I N 1.201 121.643 120.570 -0.212 0.000 4.102 361 I HA 0.115 4.285 4.170 -0.000 0.000 0.325 361 I C 0.863 176.905 176.117 -0.125 0.000 1.471 361 I CA -0.417 60.824 61.300 -0.099 0.000 1.133 361 I CB -0.061 37.919 38.000 -0.034 0.000 1.184 361 I HN 0.393 nan 8.210 nan 0.000 0.451 362 T N 1.592 116.043 114.554 -0.173 0.000 2.565 362 T HA -0.228 4.122 4.350 -0.000 0.000 0.265 362 T C 1.304 175.958 174.700 -0.076 0.000 1.082 362 T CA 2.617 64.645 62.100 -0.120 0.000 1.173 362 T CB -0.364 68.423 68.868 -0.136 0.000 0.864 362 T HN 0.377 nan 8.240 nan 0.000 0.425 363 D N 0.821 121.186 120.400 -0.058 0.000 2.108 363 D HA -0.089 4.551 4.640 -0.000 0.000 0.190 363 D C 2.397 178.675 176.300 -0.037 0.000 0.995 363 D CA 1.113 55.096 54.000 -0.027 0.000 0.834 363 D CB -0.923 39.878 40.800 0.002 0.000 0.967 363 D HN 0.244 nan 8.370 nan 0.000 0.446 364 V N 1.130 121.016 119.914 -0.048 0.000 2.380 364 V HA -0.238 3.882 4.120 -0.000 0.000 0.251 364 V C 2.514 178.553 176.094 -0.092 0.000 1.063 364 V CA 1.089 63.351 62.300 -0.063 0.000 1.055 364 V CB -0.482 31.286 31.823 -0.091 0.000 0.657 364 V HN 0.207 nan 8.190 nan 0.000 0.455 365 L N 0.291 121.442 121.223 -0.119 0.000 1.970 365 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 365 L C 2.699 179.529 176.870 -0.066 0.000 1.071 365 L CA 2.582 57.336 54.840 -0.143 0.000 0.751 365 L CB -1.391 40.575 42.059 -0.156 0.000 0.889 365 L HN 0.562 nan 8.230 nan 0.000 0.432 366 E N 0.659 120.836 120.200 -0.037 0.000 2.065 366 E HA -0.214 4.136 4.350 -0.000 0.000 0.201 366 E C 1.455 178.049 176.600 -0.010 0.000 1.016 366 E CA 1.684 58.077 56.400 -0.011 0.000 0.818 366 E CB -0.414 29.283 29.700 -0.006 0.000 0.749 366 E HN 0.457 nan 8.360 nan 0.000 0.453 367 S N -0.792 114.898 115.700 -0.017 0.000 3.544 367 S HA 0.224 4.694 4.470 -0.000 0.000 0.227 367 S C 0.593 175.183 174.600 -0.015 0.000 1.387 367 S CA 0.258 58.452 58.200 -0.010 0.000 1.182 367 S CB -0.149 63.047 63.200 -0.007 0.000 1.243 367 S HN 0.304 nan 8.310 nan 0.000 0.467 368 K N 0.271 120.663 120.400 -0.014 0.000 2.434 368 K HA 0.246 4.566 4.320 -0.000 0.000 0.170 368 K C 0.514 177.114 176.600 -0.001 0.000 1.738 368 K CA 0.518 56.796 56.287 -0.016 0.000 1.027 368 K CB -0.070 32.405 32.500 -0.043 0.000 1.595 368 K HN 0.600 nan 8.250 nan 0.000 0.546 369 G N 2.240 111.044 108.800 0.007 0.000 2.367 369 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.295 369 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.295 369 G C -0.592 174.331 174.900 0.038 0.000 1.019 369 G CA 0.913 46.027 45.100 0.023 0.000 1.224 369 G HN 0.136 nan 8.290 nan 0.000 0.510 370 L N 0.722 121.970 121.223 0.042 0.000 2.506 370 L HA 0.650 4.990 4.340 -0.000 0.000 0.257 370 L C -0.941 175.990 176.870 0.102 0.000 0.964 370 L CA -1.132 53.755 54.840 0.079 0.000 0.836 370 L CB 2.373 44.452 42.059 0.032 0.000 1.384 370 L HN 0.512 nan 8.230 nan 0.000 0.410 371 D N 0.670 121.178 120.400 0.180 0.000 2.596 371 D HA 0.101 4.741 4.640 -0.000 0.000 0.262 371 D C 0.472 176.957 176.300 0.309 0.000 1.210 371 D CA -0.611 53.517 54.000 0.214 0.000 0.873 371 D CB 2.228 43.137 40.800 0.182 0.000 1.408 371 D HN 0.212 nan 8.370 nan 0.000 0.441 372 V N 0.183 120.297 119.914 0.334 0.000 2.439 372 V HA -0.307 3.813 4.120 -0.000 0.000 0.253 372 V C 1.832 178.006 176.094 0.135 0.000 1.074 372 V CA 2.047 64.536 62.300 0.315 0.000 1.076 372 V CB -0.868 31.258 31.823 0.504 0.000 0.664 372 V HN 0.648 nan 8.190 nan 0.000 0.461 373 H N -1.168 117.961 119.070 0.099 0.000 2.525 373 H HA 0.101 4.657 4.556 -0.000 0.000 0.275 373 H C 0.974 176.314 175.328 0.020 0.000 0.984 373 H CA 0.657 56.717 56.048 0.021 0.000 1.264 373 H CB 0.179 29.945 29.762 0.007 0.000 1.432 373 H HN 0.510 nan 8.280 nan 0.000 0.549 374 D N 0.764 121.270 120.400 0.177 0.000 2.357 374 D HA -0.005 4.635 4.640 -0.000 0.000 0.242 374 D C -0.063 176.281 176.300 0.073 0.000 1.153 374 D CA -0.225 53.863 54.000 0.147 0.000 0.918 374 D CB 1.416 42.324 40.800 0.180 0.000 1.181 374 D HN -0.028 nan 8.370 nan 0.000 0.435 375 V N 1.582 121.531 119.914 0.058 0.000 2.415 375 V HA 0.441 4.561 4.120 -0.000 0.000 0.267 375 V C -0.199 175.940 176.094 0.076 0.000 1.042 375 V CA -0.391 61.906 62.300 -0.005 0.000 1.000 375 V CB -1.008 30.822 31.823 0.011 0.000 1.015 375 V HN 0.377 nan 8.190 nan 0.000 0.478 376 F N 1.467 121.425 119.950 0.014 0.000 2.608 376 F HA 0.878 5.405 4.527 -0.000 0.000 0.309 376 F C -0.850 174.958 175.800 0.014 0.000 1.103 376 F CA -1.349 56.661 58.000 0.017 0.000 0.954 376 F CB 1.452 40.466 39.000 0.023 0.000 1.267 376 F HN 0.421 nan 8.300 nan 0.000 0.444 377 D N 1.827 122.381 120.400 0.256 0.000 2.529 377 D HA 0.690 5.330 4.640 -0.000 0.000 0.273 377 D C -1.222 175.231 176.300 0.255 0.000 1.197 377 D CA -0.343 53.762 54.000 0.174 0.000 1.070 377 D CB 1.848 42.703 40.800 0.091 0.000 1.134 377 D HN 0.886 nan 8.370 nan 0.000 0.590 378 I N 0.158 120.830 120.570 0.171 0.000 2.702 378 I HA 0.332 4.502 4.170 -0.000 0.000 0.287 378 I C -1.954 174.253 176.117 0.150 0.000 1.342 378 I CA -0.664 60.748 61.300 0.187 0.000 1.063 378 I CB 1.375 39.514 38.000 0.231 0.000 1.331 378 I HN 0.103 nan 8.210 nan 0.000 0.427 379 K N 7.433 127.920 120.400 0.145 0.000 2.267 379 K HA 0.812 5.132 4.320 -0.000 0.000 0.246 379 K C -1.252 175.437 176.600 0.149 0.000 0.954 379 K CA -0.567 55.792 56.287 0.120 0.000 0.824 379 K CB 1.570 34.111 32.500 0.069 0.000 1.167 379 K HN 0.635 nan 8.250 nan 0.000 0.431 380 I N -1.683 118.957 120.570 0.116 0.000 3.002 380 I HA 0.690 4.860 4.170 -0.000 0.000 0.310 380 I C -0.976 175.122 176.117 -0.031 0.000 1.087 380 I CA -0.608 60.741 61.300 0.082 0.000 1.017 380 I CB 2.763 40.822 38.000 0.098 0.000 1.226 380 I HN 0.415 nan 8.210 nan 0.000 0.443 381 T N 2.230 116.729 114.554 -0.092 0.000 3.050 381 T HA 0.334 4.684 4.350 -0.000 0.000 0.310 381 T C -0.805 173.779 174.700 -0.193 0.000 0.978 381 T CA -0.468 61.560 62.100 -0.119 0.000 1.013 381 T CB 1.232 70.055 68.868 -0.074 0.000 1.000 381 T HN 0.660 nan 8.240 nan 0.000 0.447 382 Q N 1.887 121.560 119.800 -0.212 0.000 2.278 382 Q HA 0.583 4.923 4.340 -0.000 0.000 0.257 382 Q C -0.716 175.201 176.000 -0.139 0.000 0.928 382 Q CA -0.398 55.270 55.803 -0.226 0.000 0.932 382 Q CB 1.146 29.741 28.738 -0.239 0.000 1.221 382 Q HN 0.593 nan 8.270 nan 0.000 0.434 383 T N 1.412 115.906 114.554 -0.101 0.000 2.861 383 T HA 0.327 4.677 4.350 -0.000 0.000 0.287 383 T C -0.287 174.409 174.700 -0.007 0.000 1.003 383 T CA -0.533 61.543 62.100 -0.041 0.000 0.977 383 T CB 1.773 70.643 68.868 0.004 0.000 0.996 383 T HN 0.409 nan 8.240 nan 0.000 0.448 384 S N 1.925 117.590 115.700 -0.059 0.000 2.600 384 S HA 0.124 4.594 4.470 -0.000 0.000 0.265 384 S C 1.579 176.136 174.600 -0.072 0.000 1.325 384 S CA -0.777 57.370 58.200 -0.089 0.000 1.002 384 S CB 0.236 63.249 63.200 -0.312 0.000 0.921 384 S HN 0.849 nan 8.310 nan 0.000 0.554 385 W N 1.648 122.957 121.300 0.015 0.000 2.338 385 W HA -0.082 4.578 4.660 -0.000 0.000 0.304 385 W C -0.164 176.373 176.519 0.030 0.000 1.212 385 W CA 0.758 58.120 57.345 0.028 0.000 1.264 385 W CB -1.421 28.058 29.460 0.032 0.000 1.142 385 W HN 0.525 nan 8.180 nan 0.000 0.512 386 D N 1.310 121.214 120.400 -0.827 0.000 2.422 386 D HA 0.043 4.683 4.640 -0.000 0.000 0.227 386 D C -0.365 175.700 176.300 -0.392 0.000 1.190 386 D CA -0.525 53.078 54.000 -0.662 0.000 0.905 386 D CB -1.207 38.911 40.800 -1.138 0.000 1.034 386 D HN 0.146 nan 8.370 nan 0.000 0.507 387 N N 2.862 121.451 118.700 -0.185 0.000 1.754 387 N HA -0.191 4.549 4.740 -0.000 0.000 0.295 387 N C -0.258 175.170 175.510 -0.137 0.000 1.315 387 N CA 0.675 53.652 53.050 -0.122 0.000 0.950 387 N CB 0.069 38.511 38.487 -0.074 0.000 1.311 387 N HN 0.551 nan 8.380 nan 0.000 0.479 388 E N 2.919 123.037 120.200 -0.136 0.000 2.646 388 E HA 0.055 4.405 4.350 -0.000 0.000 0.336 388 E C -1.483 175.060 176.600 -0.096 0.000 1.027 388 E CA -0.655 55.669 56.400 -0.126 0.000 0.765 388 E CB 0.494 30.090 29.700 -0.174 0.000 1.545 388 E HN 0.366 nan 8.360 nan 0.000 0.382 389 D N 3.010 123.366 120.400 -0.073 0.000 2.583 389 D HA -0.009 4.631 4.640 -0.000 0.000 0.232 389 D C 0.207 176.465 176.300 -0.069 0.000 1.128 389 D CA 0.955 54.915 54.000 -0.066 0.000 0.859 389 D CB 0.621 41.389 40.800 -0.054 0.000 1.169 389 D HN 0.359 nan 8.370 nan 0.000 0.481 390 I N 1.891 122.414 120.570 -0.078 0.000 2.336 390 I HA 0.108 4.278 4.170 -0.000 0.000 0.292 390 I C 0.255 176.327 176.117 -0.075 0.000 0.991 390 I CA -0.935 60.321 61.300 -0.073 0.000 1.227 390 I CB 1.277 39.229 38.000 -0.081 0.000 1.366 390 I HN 0.329 nan 8.210 nan 0.000 0.466 391 S N 2.693 118.364 115.700 -0.049 0.000 2.546 391 S HA 0.004 4.474 4.470 -0.000 0.000 0.290 391 S C 0.926 175.503 174.600 -0.038 0.000 1.262 391 S CA -0.482 57.698 58.200 -0.034 0.000 1.083 391 S CB 0.370 63.562 63.200 -0.014 0.000 0.859 391 S HN 0.840 nan 8.310 nan 0.000 0.495 392 T N -1.186 113.340 114.554 -0.047 0.000 3.186 392 T HA 0.193 4.543 4.350 -0.000 0.000 0.257 392 T C 0.294 175.035 174.700 0.069 0.000 1.029 392 T CA -0.291 61.776 62.100 -0.056 0.000 0.916 392 T CB -0.247 68.502 68.868 -0.198 0.000 1.041 392 T HN 0.396 nan 8.240 nan 0.000 0.562 393 D N 2.364 122.795 120.400 0.052 0.000 2.104 393 D HA -0.037 4.603 4.640 -0.000 0.000 0.194 393 D C 1.179 177.536 176.300 0.095 0.000 0.994 393 D CA 1.076 55.113 54.000 0.062 0.000 0.830 393 D CB -0.013 40.808 40.800 0.034 0.000 0.959 393 D HN 0.437 nan 8.370 nan 0.000 0.452 394 R N 0.142 120.703 120.500 0.101 0.000 3.171 394 R HA 0.321 4.661 4.340 -0.000 0.000 0.241 394 R C -0.948 175.470 176.300 0.198 0.000 1.421 394 R CA -0.312 55.849 56.100 0.101 0.000 1.444 394 R CB -0.155 30.179 30.300 0.057 0.000 1.247 394 R HN 0.066 nan 8.270 nan 0.000 0.636 395 F N 3.260 123.218 119.950 0.012 0.000 2.839 395 F HA 0.300 4.827 4.527 -0.000 0.000 0.344 395 F C -2.419 173.401 175.800 0.034 0.000 1.242 395 F CA -2.327 55.691 58.000 0.030 0.000 1.091 395 F CB 1.648 40.679 39.000 0.053 0.000 1.374 395 F HN 0.176 nan 8.300 nan 0.000 0.553 396 P HA 0.136 nan 4.420 nan 0.000 0.264 396 P C -2.674 174.502 177.300 -0.207 0.000 1.193 396 P CA -0.655 62.322 63.100 -0.204 0.000 0.763 396 P CB 0.306 31.855 31.700 -0.253 0.000 0.810 397 P HA 0.187 nan 4.420 nan 0.000 0.269 397 P C -2.511 174.731 177.300 -0.096 0.000 1.215 397 P CA -1.272 61.833 63.100 0.009 0.000 0.780 397 P CB -0.763 30.942 31.700 0.008 0.000 0.898 398 P HA 0.109 nan 4.420 nan 0.000 0.275 398 P C -0.075 177.081 177.300 -0.241 0.000 1.227 398 P CA 0.129 63.014 63.100 -0.358 0.000 0.781 398 P CB 0.362 31.724 31.700 -0.564 0.000 0.906 399 S N 0.948 116.502 115.700 -0.243 0.000 2.651 399 S HA 0.620 5.090 4.470 -0.000 0.000 0.291 399 S C -0.427 174.102 174.600 -0.118 0.000 1.141 399 S CA -0.786 57.329 58.200 -0.141 0.000 1.027 399 S CB 1.072 64.203 63.200 -0.115 0.000 1.043 399 S HN 0.145 nan 8.310 nan 0.000 0.530 400 V N 2.499 122.381 119.914 -0.054 0.000 2.376 400 V HA 0.387 4.507 4.120 -0.000 0.000 0.287 400 V C -0.215 175.913 176.094 0.056 0.000 1.015 400 V CA -0.627 61.684 62.300 0.018 0.000 0.834 400 V CB 0.709 32.553 31.823 0.036 0.000 1.001 400 V HN 0.842 nan 8.190 nan 0.000 0.428 401 I N 4.241 124.873 120.570 0.102 0.000 2.970 401 I HA 0.435 4.605 4.170 -0.000 0.000 0.310 401 I C -0.603 175.678 176.117 0.274 0.000 1.010 401 I CA -0.673 60.714 61.300 0.145 0.000 1.228 401 I CB 0.860 38.922 38.000 0.104 0.000 1.433 401 I HN 0.637 nan 8.210 nan 0.000 0.573 402 Y N 2.564 122.920 120.300 0.093 0.000 2.354 402 Y HA 0.567 5.117 4.550 -0.000 0.000 0.330 402 Y C -1.494 174.472 175.900 0.111 0.000 1.011 402 Y CA -0.856 57.318 58.100 0.123 0.000 1.099 402 Y CB 1.591 40.104 38.460 0.088 0.000 1.179 402 Y HN 0.198 nan 8.280 nan 0.000 0.442 403 V N 9.271 129.199 119.914 0.023 0.000 2.313 403 V HA 0.330 4.450 4.120 -0.000 0.000 0.278 403 V C -2.138 173.880 176.094 -0.127 0.000 1.017 403 V CA -1.692 60.639 62.300 0.052 0.000 0.823 403 V CB 1.002 32.879 31.823 0.090 0.000 1.010 403 V HN 0.736 nan 8.190 nan 0.000 0.443 404 P HA 0.129 nan 4.420 nan 0.000 0.309 404 P C 0.081 177.411 177.300 0.050 0.000 1.423 404 P CA -0.042 63.130 63.100 0.120 0.000 0.814 404 P CB 0.190 32.063 31.700 0.289 0.000 1.900 405 K N 0.000 120.446 120.400 0.077 0.000 2.780 405 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 405 K CA 0.000 56.318 56.287 0.052 0.000 0.838 405 K CB 0.000 32.524 32.500 0.040 0.000 1.064 405 K HN 0.000 nan 8.250 nan 0.000 0.543