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 1fs8_1_A DATA FIRST_RESID 37 DATA SEQUENCE KTAHSQGIEG KAMSEEWARY YPRQFDSWKK TKESDNITDM LKEKPALVVA DATA SEQUENCE WAGYPFSKDY NAPRGHYYAL QDNINTLRTG APVDGKTGPL PSACWTCKSP DATA SEQUENCE DVPRIIEQDG ELEYFTGKWA KYGDEIVNTI GCYNCHDDKS AELKSKVPYL DATA SEQUENCE DRGLSAAGFK TFAESTHQEK RSLVCAQCHV EYYFKKTEWK DDKGVDKTAM DATA SEQUENCE VVTLPWSKGI STEQMEAYYD EINFADWTHG ISKTPMLKAQ HPDWELYKTG DATA SEQUENCE IHGQKGVSCA DCHMPYTQEG AVKYSDHKVG NPLDNMDKSC MNCHRESEQK DATA SEQUENCE LKDIVKQKFE RKEFLQDIAF DNIGKAHLET GKAMELGATD AELKEIRTHI DATA SEQUENCE RHAQWRADMA IAGHGSFFHA PEEVLRLLAS GNEEAQKARI KLVKVLAKYG DATA SEQUENCE AIDYVAPDFE TKEKAQKLAK VDMEAFIAEK LKFKQTLEQE WKKQAIAKGR DATA SEQUENCE LNPESLKGVD EKSSYYDKTK K 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 37 K HA 0.000 nan 4.320 nan 0.000 0.191 37 K C 0.000 176.536 176.600 -0.106 0.000 0.988 37 K CA 0.000 56.240 56.287 -0.078 0.000 0.838 37 K CB 0.000 32.447 32.500 -0.088 0.000 1.064 38 T N -2.421 112.009 114.554 -0.207 0.000 2.852 38 T HA 0.590 4.940 4.350 0.001 0.000 0.281 38 T C 0.944 175.442 174.700 -0.337 0.000 0.993 38 T CA -0.312 61.605 62.100 -0.304 0.000 0.933 38 T CB 1.353 69.816 68.868 -0.675 0.000 1.187 38 T HN 0.769 nan 8.240 nan 0.000 0.559 39 A N 0.087 122.690 122.820 -0.363 0.000 2.307 39 A HA 0.256 4.576 4.320 0.001 0.000 0.218 39 A C 0.879 178.247 177.584 -0.361 0.000 1.228 39 A CA 0.454 52.351 52.037 -0.232 0.000 0.857 39 A CB -1.099 17.890 19.000 -0.018 0.000 0.897 39 A HN 1.068 nan 8.150 nan 0.000 0.495 40 H N -3.267 115.502 119.070 -0.501 0.000 2.924 40 H HA 0.294 4.850 4.556 0.001 0.000 0.229 40 H C 0.880 176.022 175.328 -0.310 0.000 1.345 40 H CA 0.239 55.969 56.048 -0.530 0.000 1.044 40 H CB -0.657 28.508 29.762 -0.996 0.000 2.221 40 H HN 0.158 nan 8.280 nan 0.000 0.574 41 S N -0.383 115.111 115.700 -0.343 0.000 2.465 41 S HA -0.204 4.266 4.470 0.001 0.000 0.241 41 S C 1.368 175.896 174.600 -0.120 0.000 1.000 41 S CA 0.888 58.952 58.200 -0.227 0.000 0.964 41 S CB -0.077 63.021 63.200 -0.170 0.000 0.763 41 S HN 0.498 nan 8.310 nan 0.000 0.512 42 Q N 1.099 120.839 119.800 -0.100 0.000 2.319 42 Q HA 0.421 4.761 4.340 0.001 0.000 0.202 42 Q C 1.118 177.081 176.000 -0.061 0.000 0.896 42 Q CA 0.617 56.380 55.803 -0.067 0.000 0.942 42 Q CB 0.387 29.089 28.738 -0.060 0.000 1.083 42 Q HN 0.729 nan 8.270 nan 0.000 0.510 43 G N 0.838 109.600 108.800 -0.064 0.000 2.479 43 G HA2 -0.090 3.870 3.960 0.001 0.000 0.686 43 G HA3 -0.090 3.870 3.960 0.001 0.000 0.686 43 G C -1.232 173.568 174.900 -0.168 0.000 1.295 43 G CA -1.004 44.044 45.100 -0.086 0.000 0.922 43 G HN 0.098 nan 8.290 nan 0.000 0.582 44 I N 0.762 121.167 120.570 -0.276 0.000 2.410 44 I HA 0.310 4.481 4.170 0.001 0.000 0.286 44 I C 0.463 176.422 176.117 -0.263 0.000 1.009 44 I CA -0.593 60.496 61.300 -0.352 0.000 1.111 44 I CB 1.868 39.439 38.000 -0.715 0.000 1.262 44 I HN 0.674 nan 8.210 nan 0.000 0.443 45 E N 5.236 125.327 120.200 -0.180 0.000 2.366 45 E HA 0.207 4.557 4.350 0.001 0.000 0.266 45 E C 0.953 177.462 176.600 -0.152 0.000 1.015 45 E CA 0.660 56.973 56.400 -0.145 0.000 0.906 45 E CB 0.540 30.177 29.700 -0.104 0.000 0.979 45 E HN 0.923 nan 8.360 nan 0.000 0.443 46 G N 4.600 113.311 108.800 -0.149 0.000 2.160 46 G HA2 -0.356 3.604 3.960 0.001 0.000 0.244 46 G HA3 -0.356 3.604 3.960 0.001 0.000 0.244 46 G C 0.771 175.595 174.900 -0.128 0.000 1.022 46 G CA 0.588 45.612 45.100 -0.126 0.000 0.741 46 G HN 0.747 nan 8.290 nan 0.000 0.508 47 K N -0.676 119.594 120.400 -0.216 0.000 2.228 47 K HA 0.046 4.367 4.320 0.001 0.000 0.205 47 K C 2.417 179.006 176.600 -0.019 0.000 1.045 47 K CA 1.886 58.066 56.287 -0.178 0.000 0.931 47 K CB -0.410 31.786 32.500 -0.507 0.000 0.727 47 K HN 0.991 nan 8.250 nan 0.000 0.458 48 A N 1.436 124.151 122.820 -0.174 0.000 2.067 48 A HA 0.038 4.358 4.320 0.001 0.000 0.219 48 A C 1.145 178.745 177.584 0.027 0.000 1.158 48 A CA 0.553 52.552 52.037 -0.064 0.000 0.661 48 A CB -0.335 18.609 19.000 -0.093 0.000 0.801 48 A HN 0.334 nan 8.150 nan 0.000 0.452 49 M N 0.422 120.048 119.600 0.043 0.000 2.077 49 M HA 0.172 4.652 4.480 0.001 0.000 0.348 49 M C 0.895 177.268 176.300 0.123 0.000 1.252 49 M CA -0.334 55.007 55.300 0.068 0.000 1.096 49 M CB 1.296 33.920 32.600 0.040 0.000 1.568 49 M HN 0.172 nan 8.290 nan 0.000 0.456 50 S N 1.646 117.368 115.700 0.037 0.000 2.420 50 S HA -0.167 4.303 4.470 0.001 0.000 0.237 50 S C 1.395 176.039 174.600 0.074 0.000 1.023 50 S CA 1.503 59.617 58.200 -0.144 0.000 0.991 50 S CB -0.146 62.627 63.200 -0.712 0.000 0.792 50 S HN 0.696 nan 8.310 nan 0.000 0.488 51 E N 1.312 121.589 120.200 0.130 0.000 2.209 51 E HA -0.115 4.235 4.350 0.001 0.000 0.196 51 E C 1.886 178.371 176.600 -0.193 0.000 0.993 51 E CA 0.761 57.099 56.400 -0.104 0.000 0.819 51 E CB -0.165 29.549 29.700 0.023 0.000 0.745 51 E HN 0.379 nan 8.360 nan 0.000 0.477 52 E N -0.904 119.297 120.200 0.002 0.000 2.338 52 E HA -0.131 4.219 4.350 0.001 0.000 0.197 52 E C 0.933 177.501 176.600 -0.053 0.000 1.007 52 E CA 0.608 56.981 56.400 -0.046 0.000 0.849 52 E CB -0.094 29.584 29.700 -0.036 0.000 0.774 52 E HN 0.493 nan 8.360 nan 0.000 0.506 53 W N 0.379 121.565 121.300 -0.190 0.000 3.077 53 W HA 0.286 4.947 4.660 0.001 0.000 0.266 53 W C 2.201 178.624 176.519 -0.161 0.000 1.300 53 W CA 0.205 57.506 57.345 -0.074 0.000 1.586 53 W CB -0.431 29.022 29.460 -0.011 0.000 1.103 53 W HN 0.005 nan 8.180 nan 0.000 0.652 54 A N 1.726 124.412 122.820 -0.223 0.000 1.940 54 A HA -0.248 4.073 4.320 0.001 0.000 0.219 54 A C 2.120 179.511 177.584 -0.321 0.000 1.176 54 A CA 2.054 53.830 52.037 -0.435 0.000 0.631 54 A CB -0.760 17.610 19.000 -1.050 0.000 0.814 54 A HN 0.457 nan 8.150 nan 0.000 0.446 55 R N -2.246 117.987 120.500 -0.445 0.000 2.189 55 R HA -0.105 4.235 4.340 0.001 0.000 0.223 55 R C 1.365 177.285 176.300 -0.633 0.000 1.092 55 R CA 1.740 57.506 56.100 -0.556 0.000 0.989 55 R CB -0.512 29.356 30.300 -0.721 0.000 0.876 55 R HN 0.542 nan 8.270 nan 0.000 0.457 56 Y N -0.776 119.309 120.300 -0.359 0.000 2.522 56 Y HA 0.194 4.745 4.550 0.001 0.000 0.277 56 Y C 0.107 175.532 175.900 -0.791 0.000 1.104 56 Y CA -0.196 57.518 58.100 -0.644 0.000 1.260 56 Y CB 0.483 38.373 38.460 -0.951 0.000 1.151 56 Y HN -0.059 nan 8.280 nan 0.000 0.539 57 Y N 0.670 121.050 120.300 0.134 0.000 2.584 57 Y HA 0.347 4.897 4.550 0.001 0.000 0.358 57 Y C -1.993 173.939 175.900 0.053 0.000 1.028 57 Y CA -3.594 54.556 58.100 0.084 0.000 1.148 57 Y CB 0.308 38.826 38.460 0.097 0.000 1.126 57 Y HN -0.080 nan 8.280 nan 0.000 0.658 58 P HA -0.185 nan 4.420 nan 0.000 0.216 58 P C 1.407 178.770 177.300 0.105 0.000 1.150 58 P CA 1.403 64.564 63.100 0.101 0.000 0.837 58 P CB 0.663 32.375 31.700 0.021 0.000 0.786 59 R N 0.270 120.756 120.500 -0.024 0.000 2.070 59 R HA -0.106 4.234 4.340 0.001 0.000 0.233 59 R C 2.492 178.738 176.300 -0.090 0.000 1.137 59 R CA 1.552 57.516 56.100 -0.226 0.000 0.945 59 R CB -1.443 28.453 30.300 -0.674 0.000 0.845 59 R HN 0.283 nan 8.270 nan 0.000 0.430 60 Q N -0.402 119.379 119.800 -0.032 0.000 2.119 60 Q HA -0.074 4.266 4.340 0.001 0.000 0.201 60 Q C 1.801 177.809 176.000 0.012 0.000 0.972 60 Q CA 1.239 56.963 55.803 -0.132 0.000 0.847 60 Q CB -0.434 28.034 28.738 -0.451 0.000 0.903 60 Q HN 0.274 nan 8.270 nan 0.000 0.433 61 F N 1.414 121.367 119.950 0.005 0.000 2.113 61 F HA -0.194 4.334 4.527 0.001 0.000 0.297 61 F C 1.347 177.306 175.800 0.265 0.000 1.103 61 F CA 1.467 59.531 58.000 0.106 0.000 1.248 61 F CB -0.086 38.953 39.000 0.066 0.000 0.999 61 F HN 0.029 nan 8.300 nan 0.000 0.475 62 D N -0.140 120.372 120.400 0.187 0.000 2.117 62 D HA -0.165 4.476 4.640 0.001 0.000 0.197 62 D C 2.538 178.876 176.300 0.063 0.000 0.987 62 D CA 1.799 55.855 54.000 0.093 0.000 0.829 62 D CB -0.577 40.302 40.800 0.131 0.000 0.961 62 D HN 0.438 nan 8.370 nan 0.000 0.460 63 S N -0.441 115.350 115.700 0.151 0.000 2.387 63 S HA -0.151 4.319 4.470 0.001 0.000 0.226 63 S C 2.012 176.724 174.600 0.187 0.000 1.026 63 S CA 0.535 58.851 58.200 0.193 0.000 0.972 63 S CB -0.992 62.413 63.200 0.341 0.000 0.814 63 S HN 0.489 nan 8.310 nan 0.000 0.477 64 W N 2.789 124.101 121.300 0.021 0.000 2.338 64 W HA -0.055 4.605 4.660 0.001 0.000 0.304 64 W C 2.229 178.700 176.519 -0.081 0.000 1.212 64 W CA 1.665 59.021 57.345 0.018 0.000 1.264 64 W CB -0.240 29.204 29.460 -0.028 0.000 1.142 64 W HN 0.278 nan 8.180 nan 0.000 0.512 65 K N 0.696 120.979 120.400 -0.195 0.000 2.365 65 K HA -0.105 4.215 4.320 0.001 0.000 0.199 65 K C 1.764 178.134 176.600 -0.384 0.000 1.045 65 K CA 1.043 57.049 56.287 -0.468 0.000 0.962 65 K CB -0.165 32.145 32.500 -0.317 0.000 0.759 65 K HN 0.075 nan 8.250 nan 0.000 0.469 66 K N 0.048 120.308 120.400 -0.234 0.000 2.504 66 K HA -0.054 4.267 4.320 0.001 0.000 0.195 66 K C 1.392 177.861 176.600 -0.217 0.000 1.036 66 K CA 1.334 57.505 56.287 -0.194 0.000 0.984 66 K CB 0.095 32.547 32.500 -0.080 0.000 0.788 66 K HN 0.337 nan 8.250 nan 0.000 0.488 67 T N -1.094 113.303 114.554 -0.261 0.000 3.098 67 T HA -0.092 4.258 4.350 0.001 0.000 0.266 67 T C 1.610 176.191 174.700 -0.199 0.000 1.145 67 T CA 0.674 62.658 62.100 -0.193 0.000 1.092 67 T CB -0.005 68.748 68.868 -0.192 0.000 0.908 67 T HN 0.164 nan 8.240 nan 0.000 0.526 68 K N 1.308 121.433 120.400 -0.459 0.000 2.280 68 K HA -0.120 4.200 4.320 0.001 0.000 0.202 68 K C 2.007 178.509 176.600 -0.163 0.000 1.047 68 K CA 1.253 57.114 56.287 -0.711 0.000 0.942 68 K CB -0.107 31.624 32.500 -1.281 0.000 0.739 68 K HN 0.517 nan 8.250 nan 0.000 0.457 69 E N 0.140 120.257 120.200 -0.138 0.000 2.204 69 E HA -0.048 4.302 4.350 0.001 0.000 0.194 69 E C -0.003 176.594 176.600 -0.005 0.000 0.989 69 E CA 0.536 56.900 56.400 -0.060 0.000 0.824 69 E CB 0.231 29.888 29.700 -0.072 0.000 0.756 69 E HN 0.069 nan 8.360 nan 0.000 0.477 70 S N 2.204 117.923 115.700 0.032 0.000 3.729 70 S HA 0.001 4.471 4.470 0.001 0.000 0.235 70 S C 0.180 174.812 174.600 0.054 0.000 1.367 70 S CA -0.272 57.943 58.200 0.025 0.000 0.907 70 S CB 0.066 63.273 63.200 0.011 0.000 1.471 70 S HN 0.291 nan 8.310 nan 0.000 0.476 71 D N 0.890 121.255 120.400 -0.059 0.000 2.398 71 D HA -0.035 4.605 4.640 0.001 0.000 0.210 71 D C 0.271 176.385 176.300 -0.310 0.000 1.094 71 D CA -0.293 53.507 54.000 -0.334 0.000 0.839 71 D CB -0.183 40.459 40.800 -0.262 0.000 0.963 71 D HN 0.447 nan 8.370 nan 0.000 0.506 72 N N 0.667 119.258 118.700 -0.183 0.000 2.458 72 N HA 0.009 4.750 4.740 0.001 0.000 0.258 72 N C -0.564 174.837 175.510 -0.182 0.000 1.219 72 N CA -0.175 52.779 53.050 -0.160 0.000 0.902 72 N CB 0.579 38.997 38.487 -0.115 0.000 1.076 72 N HN -0.029 nan 8.380 nan 0.000 0.455 73 I N 3.241 123.706 120.570 -0.175 0.000 2.359 73 I HA 0.112 4.283 4.170 0.001 0.000 0.284 73 I C -0.099 175.936 176.117 -0.138 0.000 1.018 73 I CA -0.251 60.944 61.300 -0.176 0.000 1.173 73 I CB 0.979 38.858 38.000 -0.202 0.000 1.326 73 I HN 0.445 nan 8.210 nan 0.000 0.462 74 T N 4.716 119.188 114.554 -0.136 0.000 2.753 74 T HA 0.110 4.460 4.350 0.001 0.000 0.297 74 T C 0.081 174.716 174.700 -0.107 0.000 0.981 74 T CA -0.365 61.672 62.100 -0.105 0.000 0.956 74 T CB 0.754 69.563 68.868 -0.097 0.000 0.936 74 T HN 0.357 nan 8.240 nan 0.000 0.463 75 D N 4.504 124.863 120.400 -0.068 0.000 2.359 75 D HA 0.052 4.692 4.640 0.001 0.000 0.250 75 D C 1.146 177.447 176.300 0.001 0.000 1.264 75 D CA -0.393 53.583 54.000 -0.039 0.000 0.911 75 D CB 0.636 41.431 40.800 -0.009 0.000 1.056 75 D HN 0.276 nan 8.370 nan 0.000 0.499 76 M N 3.484 123.079 119.600 -0.008 0.000 2.374 76 M HA -0.082 4.399 4.480 0.001 0.000 0.264 76 M C 1.768 178.179 176.300 0.186 0.000 1.067 76 M CA 0.707 56.067 55.300 0.099 0.000 1.103 76 M CB -0.371 32.300 32.600 0.118 0.000 1.402 76 M HN 0.505 nan 8.290 nan 0.000 0.444 77 L N -0.678 120.664 121.223 0.200 0.000 2.217 77 L HA -0.155 4.185 4.340 0.001 0.000 0.211 77 L C 2.489 179.426 176.870 0.112 0.000 1.107 77 L CA 0.891 55.843 54.840 0.185 0.000 0.783 77 L CB -0.575 41.603 42.059 0.199 0.000 0.919 77 L HN 0.316 nan 8.230 nan 0.000 0.442 78 K N 0.062 120.514 120.400 0.086 0.000 2.076 78 K HA -0.114 4.206 4.320 0.001 0.000 0.204 78 K C 1.954 178.586 176.600 0.054 0.000 1.051 78 K CA 0.812 57.136 56.287 0.062 0.000 0.949 78 K CB 0.286 32.812 32.500 0.043 0.000 0.726 78 K HN 0.132 nan 8.250 nan 0.000 0.443 79 E N 0.740 120.974 120.200 0.056 0.000 2.072 79 E HA -0.055 4.295 4.350 0.001 0.000 0.190 79 E C 0.162 176.791 176.600 0.048 0.000 0.982 79 E CA 1.000 57.431 56.400 0.052 0.000 0.803 79 E CB 0.287 30.023 29.700 0.060 0.000 0.755 79 E HN 0.075 nan 8.360 nan 0.000 0.453 80 K N 0.991 121.423 120.400 0.052 0.000 2.679 80 K HA 0.204 4.525 4.320 0.001 0.000 0.188 80 K C -2.128 174.485 176.600 0.020 0.000 1.055 80 K CA -1.685 54.611 56.287 0.016 0.000 1.006 80 K CB 1.682 34.158 32.500 -0.039 0.000 1.317 80 K HN -0.073 nan 8.250 nan 0.000 0.584 81 P HA -0.170 nan 4.420 nan 0.000 0.221 81 P C 1.099 178.479 177.300 0.135 0.000 1.145 81 P CA 0.821 63.984 63.100 0.105 0.000 0.795 81 P CB 0.352 32.130 31.700 0.130 0.000 0.775 82 A N 0.244 123.168 122.820 0.173 0.000 2.019 82 A HA -0.126 4.194 4.320 0.001 0.000 0.219 82 A C 2.330 179.837 177.584 -0.128 0.000 1.164 82 A CA 1.065 53.236 52.037 0.224 0.000 0.644 82 A CB -1.504 17.700 19.000 0.340 0.000 0.805 82 A HN 0.170 nan 8.150 nan 0.000 0.449 83 L N -0.705 120.327 121.223 -0.318 0.000 2.201 83 L HA -0.140 4.200 4.340 0.001 0.000 0.212 83 L C 2.397 178.956 176.870 -0.518 0.000 1.105 83 L CA 0.730 55.109 54.840 -0.768 0.000 0.775 83 L CB -0.549 41.013 42.059 -0.829 0.000 0.913 83 L HN 0.246 nan 8.230 nan 0.000 0.440 84 V N -0.689 119.139 119.914 -0.144 0.000 2.343 84 V HA -0.230 3.891 4.120 0.001 0.000 0.247 84 V C 2.422 178.488 176.094 -0.047 0.000 1.051 84 V CA 1.453 63.756 62.300 0.005 0.000 1.036 84 V CB -0.205 31.652 31.823 0.056 0.000 0.654 84 V HN 0.197 nan 8.190 nan 0.000 0.451 85 V N 0.344 120.170 119.914 -0.147 0.000 2.358 85 V HA -0.223 3.898 4.120 0.001 0.000 0.246 85 V C 2.720 178.773 176.094 -0.068 0.000 1.047 85 V CA 1.867 64.058 62.300 -0.182 0.000 1.035 85 V CB -1.136 30.378 31.823 -0.516 0.000 0.658 85 V HN 0.550 nan 8.190 nan 0.000 0.452 86 A N -0.869 121.873 122.820 -0.131 0.000 1.940 86 A HA -0.212 4.109 4.320 0.001 0.000 0.219 86 A C 1.718 179.417 177.584 0.192 0.000 1.176 86 A CA 1.673 53.688 52.037 -0.037 0.000 0.631 86 A CB -0.520 18.326 19.000 -0.257 0.000 0.814 86 A HN 0.705 nan 8.150 nan 0.000 0.446 87 W N -0.197 121.200 121.300 0.162 0.000 3.194 87 W HA 0.611 5.272 4.660 0.001 0.000 0.408 87 W C 0.718 177.177 176.519 -0.100 0.000 1.072 87 W CA -1.026 56.346 57.345 0.046 0.000 1.953 87 W CB -1.383 28.039 29.460 -0.063 0.000 1.091 87 W HN 0.393 nan 8.180 nan 0.000 0.699 88 A N 0.490 123.304 122.820 -0.011 0.000 2.546 88 A HA 0.411 4.731 4.320 0.001 0.000 0.243 88 A C 1.513 179.005 177.584 -0.154 0.000 1.063 88 A CA 1.515 53.447 52.037 -0.175 0.000 0.757 88 A CB -0.247 18.572 19.000 -0.302 0.000 0.991 88 A HN 0.959 nan 8.150 nan 0.000 0.503 89 G N 0.111 108.878 108.800 -0.055 0.000 2.176 89 G HA2 -0.233 3.727 3.960 0.001 0.000 0.253 89 G HA3 -0.233 3.727 3.960 0.001 0.000 0.253 89 G C -0.106 174.767 174.900 -0.045 0.000 0.979 89 G CA 0.702 45.824 45.100 0.037 0.000 0.641 89 G HN 1.467 nan 8.290 nan 0.000 0.530 90 Y N -0.054 119.953 120.300 -0.487 0.000 2.536 90 Y HA 0.605 5.156 4.550 0.000 0.000 0.347 90 Y C -1.899 173.755 175.900 -0.410 0.000 1.000 90 Y CA -2.011 55.656 58.100 -0.722 0.000 1.051 90 Y CB 2.015 39.496 38.460 -1.630 0.000 1.259 90 Y HN -0.061 nan 8.280 nan 0.000 0.468 91 P HA -0.160 nan 4.420 nan 0.000 0.217 91 P C 1.099 178.096 177.300 -0.506 0.000 1.148 91 P CA 1.697 64.415 63.100 -0.637 0.000 0.828 91 P CB 0.013 31.252 31.700 -0.768 0.000 0.783 92 F N -0.055 119.551 119.950 -0.573 0.000 2.494 92 F HA -0.112 4.415 4.527 0.000 0.000 0.298 92 F C 2.198 177.991 175.800 -0.012 0.000 1.106 92 F CA 1.406 59.170 58.000 -0.393 0.000 1.452 92 F CB -1.028 37.414 39.000 -0.930 0.000 1.085 92 F HN 0.012 nan 8.300 nan 0.000 0.569 93 S N -1.028 114.751 115.700 0.130 0.000 2.522 93 S HA -0.033 4.437 4.470 0.001 0.000 0.227 93 S C 1.656 176.285 174.600 0.049 0.000 0.986 93 S CA 0.293 58.590 58.200 0.162 0.000 0.929 93 S CB -0.190 63.062 63.200 0.088 0.000 0.769 93 S HN 0.388 nan 8.310 nan 0.000 0.529 94 K N 0.504 120.855 120.400 -0.083 0.000 2.141 94 K HA 0.220 4.541 4.320 0.001 0.000 0.202 94 K C -0.218 176.337 176.600 -0.075 0.000 1.045 94 K CA 0.693 56.894 56.287 -0.144 0.000 0.971 94 K CB 0.103 32.369 32.500 -0.391 0.000 0.795 94 K HN 0.258 nan 8.250 nan 0.000 0.459 95 D N -0.968 119.373 120.400 -0.098 0.000 2.966 95 D HA 0.190 4.830 4.640 0.001 0.000 0.222 95 D C -2.077 174.235 176.300 0.020 0.000 1.292 95 D CA -0.557 53.422 54.000 -0.035 0.000 0.907 95 D CB 1.263 42.003 40.800 -0.100 0.000 1.621 95 D HN -0.053 nan 8.370 nan 0.000 0.557 96 Y N 3.612 123.906 120.300 -0.011 0.000 2.287 96 Y HA 0.393 4.943 4.550 0.001 0.000 0.321 96 Y C -1.702 174.260 175.900 0.104 0.000 1.173 96 Y CA -0.699 57.434 58.100 0.055 0.000 1.124 96 Y CB 0.753 39.381 38.460 0.279 0.000 1.201 96 Y HN 0.229 nan 8.280 nan 0.000 0.421 97 N N 3.322 121.782 118.700 -0.399 0.000 2.402 97 N HA 0.768 5.508 4.740 0.001 0.000 0.294 97 N C -0.656 174.533 175.510 -0.536 0.000 1.203 97 N CA -0.520 52.295 53.050 -0.391 0.000 0.838 97 N CB 2.018 40.380 38.487 -0.208 0.000 1.306 97 N HN 0.704 nan 8.380 nan 0.000 0.510 98 A N 0.886 123.457 122.820 -0.415 0.000 2.346 98 A HA 0.469 4.789 4.320 0.001 0.000 0.252 98 A C -2.121 175.262 177.584 -0.335 0.000 1.089 98 A CA -0.683 51.044 52.037 -0.516 0.000 0.797 98 A CB -0.726 18.025 19.000 -0.416 0.000 1.047 98 A HN 0.440 nan 8.150 nan 0.000 0.494 99 P HA 0.390 nan 4.420 nan 0.000 0.275 99 P C -0.296 176.963 177.300 -0.068 0.000 1.228 99 P CA -0.122 62.926 63.100 -0.087 0.000 0.786 99 P CB 0.688 32.401 31.700 0.021 0.000 0.927 100 R N 0.518 121.017 120.500 -0.002 0.000 3.121 100 R HA 0.761 5.102 4.340 0.001 0.000 0.242 100 R C 0.093 176.454 176.300 0.102 0.000 1.402 100 R CA -1.140 54.966 56.100 0.010 0.000 1.042 100 R CB -0.191 30.078 30.300 -0.051 0.000 1.410 100 R HN 0.374 nan 8.270 nan 0.000 0.494 101 G N -0.435 108.469 108.800 0.173 0.000 2.391 101 G HA2 -0.017 3.943 3.960 0.001 0.000 0.234 101 G HA3 -0.017 3.943 3.960 0.001 0.000 0.234 101 G C 0.081 175.121 174.900 0.234 0.000 1.284 101 G CA -0.142 45.060 45.100 0.170 0.000 0.873 101 G HN 0.734 nan 8.290 nan 0.000 0.549 102 H N 0.808 119.902 119.070 0.040 0.000 2.426 102 H HA -0.231 4.326 4.556 0.001 0.000 0.298 102 H C 1.859 177.149 175.328 -0.064 0.000 1.107 102 H CA 1.589 57.639 56.048 0.004 0.000 1.298 102 H CB 0.098 29.838 29.762 -0.035 0.000 1.377 102 H HN 0.718 nan 8.280 nan 0.000 0.519 103 Y N 0.377 120.543 120.300 -0.224 0.000 2.298 103 Y HA -0.328 4.222 4.550 0.001 0.000 0.287 103 Y C 0.976 176.591 175.900 -0.475 0.000 1.164 103 Y CA 1.430 59.227 58.100 -0.505 0.000 1.229 103 Y CB -0.125 37.870 38.460 -0.775 0.000 0.977 103 Y HN 0.224 nan 8.280 nan 0.000 0.538 104 Y N -1.620 118.756 120.300 0.125 0.000 2.458 104 Y HA 0.340 4.891 4.550 0.001 0.000 0.256 104 Y C 2.110 178.055 175.900 0.074 0.000 1.159 104 Y CA 0.019 58.171 58.100 0.087 0.000 1.261 104 Y CB -0.643 37.883 38.460 0.110 0.000 1.119 104 Y HN 0.146 nan 8.280 nan 0.000 0.524 105 A N 0.639 123.570 122.820 0.183 0.000 1.869 105 A HA -0.256 4.065 4.320 0.001 0.000 0.218 105 A C 2.152 179.841 177.584 0.175 0.000 1.203 105 A CA 2.144 54.276 52.037 0.159 0.000 0.638 105 A CB -0.988 18.078 19.000 0.109 0.000 0.831 105 A HN 0.428 nan 8.150 nan 0.000 0.450 106 L N -0.921 120.405 121.223 0.172 0.000 2.017 106 L HA -0.184 4.156 4.340 0.001 0.000 0.208 106 L C 2.566 179.618 176.870 0.303 0.000 1.073 106 L CA 2.689 57.688 54.840 0.265 0.000 0.745 106 L CB -0.613 41.583 42.059 0.229 0.000 0.894 106 L HN 0.492 nan 8.230 nan 0.000 0.432 107 Q N -0.475 119.469 119.800 0.240 0.000 2.170 107 Q HA -0.202 4.138 4.340 0.001 0.000 0.203 107 Q C 1.786 177.937 176.000 0.253 0.000 0.976 107 Q CA 1.912 57.874 55.803 0.266 0.000 0.858 107 Q CB -0.271 28.611 28.738 0.239 0.000 0.907 107 Q HN 0.544 nan 8.270 nan 0.000 0.433 108 D N -0.604 119.920 120.400 0.207 0.000 2.183 108 D HA -0.126 4.514 4.640 0.001 0.000 0.203 108 D C 1.391 177.758 176.300 0.111 0.000 0.969 108 D CA 0.707 54.786 54.000 0.132 0.000 0.842 108 D CB -0.364 40.495 40.800 0.097 0.000 0.957 108 D HN 0.439 nan 8.370 nan 0.000 0.484 109 N N 0.591 119.380 118.700 0.149 0.000 2.166 109 N HA -0.111 4.629 4.740 0.001 0.000 0.186 109 N C 1.889 177.470 175.510 0.119 0.000 1.019 109 N CA 0.621 53.720 53.050 0.082 0.000 0.856 109 N CB 0.073 38.665 38.487 0.175 0.000 0.993 109 N HN 0.152 nan 8.380 nan 0.000 0.426 110 I N 0.931 121.734 120.570 0.388 0.000 2.353 110 I HA -0.169 4.001 4.170 0.001 0.000 0.248 110 I C 1.559 177.937 176.117 0.435 0.000 1.119 110 I CA 0.676 62.355 61.300 0.632 0.000 1.417 110 I CB -0.231 38.193 38.000 0.706 0.000 1.078 110 I HN 0.120 nan 8.210 nan 0.000 0.421 111 N N 0.078 118.963 118.700 0.309 0.000 2.300 111 N HA -0.072 4.669 4.740 0.001 0.000 0.179 111 N C 1.059 176.717 175.510 0.246 0.000 1.016 111 N CA 0.558 53.791 53.050 0.306 0.000 0.876 111 N CB -0.504 38.097 38.487 0.189 0.000 0.979 111 N HN 0.168 nan 8.380 nan 0.000 0.432 112 T N 1.048 115.643 114.554 0.068 0.000 2.933 112 T HA 0.021 4.371 4.350 0.001 0.000 0.306 112 T C 1.693 176.316 174.700 -0.127 0.000 1.045 112 T CA -0.121 61.958 62.100 -0.035 0.000 1.143 112 T CB 0.291 69.057 68.868 -0.170 0.000 1.003 112 T HN 0.057 nan 8.240 nan 0.000 0.540 113 L N 4.471 125.599 121.223 -0.158 0.000 2.353 113 L HA -0.055 4.285 4.340 0.001 0.000 0.220 113 L C 2.885 179.513 176.870 -0.403 0.000 1.133 113 L CA 0.968 55.635 54.840 -0.288 0.000 0.798 113 L CB -0.410 41.455 42.059 -0.323 0.000 0.922 113 L HN 0.695 nan 8.230 nan 0.000 0.445 114 R N -0.009 120.227 120.500 -0.439 0.000 2.127 114 R HA -0.131 4.209 4.340 0.001 0.000 0.238 114 R C 2.123 178.090 176.300 -0.555 0.000 1.134 114 R CA 1.894 57.669 56.100 -0.542 0.000 0.975 114 R CB -0.703 29.218 30.300 -0.631 0.000 0.865 114 R HN 0.493 nan 8.270 nan 0.000 0.447 115 T N -2.084 112.095 114.554 -0.624 0.000 3.148 115 T HA 0.218 4.568 4.350 0.001 0.000 0.253 115 T C 1.211 175.552 174.700 -0.600 0.000 1.134 115 T CA 0.213 61.805 62.100 -0.847 0.000 1.051 115 T CB 0.086 67.995 68.868 -1.600 0.000 0.959 115 T HN 0.462 nan 8.240 nan 0.000 0.525 116 G N 1.700 110.234 108.800 -0.443 0.000 2.574 116 G HA2 0.073 4.033 3.960 0.001 0.000 0.282 116 G HA3 0.073 4.033 3.960 0.001 0.000 0.282 116 G C 0.083 174.764 174.900 -0.364 0.000 1.257 116 G CA -0.053 44.857 45.100 -0.317 0.000 0.956 116 G HN 1.531 nan 8.290 nan 0.000 0.560 117 A N 1.144 123.802 122.820 -0.269 0.000 2.893 117 A HA 0.743 5.064 4.320 0.001 0.000 0.333 117 A C -1.674 175.801 177.584 -0.183 0.000 1.152 117 A CA -0.194 51.650 52.037 -0.321 0.000 0.782 117 A CB 1.163 20.150 19.000 -0.022 0.000 1.108 117 A HN 0.756 nan 8.150 nan 0.000 0.469 118 P HA 0.214 nan 4.420 nan 0.000 0.272 118 P C 0.839 178.208 177.300 0.115 0.000 1.230 118 P CA 0.001 63.113 63.100 0.021 0.000 0.788 118 P CB 1.383 33.175 31.700 0.154 0.000 0.949 119 V N -2.892 117.095 119.914 0.120 0.000 3.645 119 V HA 0.233 4.353 4.120 0.001 0.000 0.275 119 V C 0.126 176.296 176.094 0.126 0.000 1.356 119 V CA 0.574 62.943 62.300 0.115 0.000 1.051 119 V CB -0.575 31.295 31.823 0.078 0.000 0.828 119 V HN 0.625 nan 8.190 nan 0.000 0.441 120 D N -1.214 119.283 120.400 0.161 0.000 2.851 120 D HA 0.370 5.010 4.640 0.001 0.000 0.339 120 D C 1.012 177.444 176.300 0.220 0.000 1.347 120 D CA 0.196 54.303 54.000 0.179 0.000 0.888 120 D CB 0.670 41.538 40.800 0.113 0.000 1.431 120 D HN -0.012 nan 8.370 nan 0.000 0.509 121 G N -1.110 107.793 108.800 0.172 0.000 2.848 121 G HA2 -0.026 3.934 3.960 0.001 0.000 0.208 121 G HA3 -0.026 3.934 3.960 0.001 0.000 0.208 121 G C 0.547 175.489 174.900 0.070 0.000 1.152 121 G CA 0.136 45.308 45.100 0.120 0.000 0.789 121 G HN 0.357 nan 8.290 nan 0.000 0.531 122 K N 0.147 120.594 120.400 0.078 0.000 2.413 122 K HA 0.154 4.475 4.320 0.001 0.000 0.204 122 K C 0.525 177.165 176.600 0.067 0.000 1.041 122 K CA 0.148 56.468 56.287 0.054 0.000 1.082 122 K CB 0.928 33.450 32.500 0.037 0.000 0.871 122 K HN 0.323 nan 8.250 nan 0.000 0.535 123 T N -2.066 112.545 114.554 0.095 0.000 2.883 123 T HA 0.781 5.131 4.350 0.001 0.000 0.284 123 T C 0.371 175.134 174.700 0.104 0.000 1.041 123 T CA -0.478 61.673 62.100 0.084 0.000 1.007 123 T CB 1.989 70.901 68.868 0.075 0.000 1.220 123 T HN 0.191 nan 8.240 nan 0.000 0.552 124 G N 1.025 109.862 108.800 0.062 0.000 2.650 124 G HA2 0.084 4.045 3.960 0.001 0.000 0.686 124 G HA3 0.084 4.045 3.960 0.001 0.000 0.686 124 G C -2.155 172.748 174.900 0.005 0.000 1.205 124 G CA -0.297 44.825 45.100 0.037 0.000 0.781 124 G HN 0.679 nan 8.290 nan 0.000 0.648 125 P HA 0.100 nan 4.420 nan 0.000 0.221 125 P C 0.972 178.227 177.300 -0.076 0.000 1.155 125 P CA 0.758 63.810 63.100 -0.080 0.000 0.812 125 P CB 0.343 31.954 31.700 -0.148 0.000 0.801 126 L N 1.318 122.477 121.223 -0.106 0.000 2.352 126 L HA 0.472 4.812 4.340 0.001 0.000 0.269 126 L C -2.125 174.749 176.870 0.007 0.000 1.034 126 L CA -2.614 52.171 54.840 -0.092 0.000 0.806 126 L CB 1.299 43.210 42.059 -0.246 0.000 1.244 126 L HN -0.159 nan 8.230 nan 0.000 0.447 127 P HA 0.104 nan 4.420 nan 0.000 0.278 127 P C 0.291 177.620 177.300 0.049 0.000 1.266 127 P CA -0.521 62.557 63.100 -0.037 0.000 0.807 127 P CB 1.122 32.692 31.700 -0.218 0.000 1.094 128 S N 0.152 115.894 115.700 0.071 0.000 2.419 128 S HA -0.167 4.303 4.470 0.001 0.000 0.235 128 S C 1.989 176.685 174.600 0.160 0.000 1.019 128 S CA 1.095 59.412 58.200 0.195 0.000 0.982 128 S CB -1.561 61.675 63.200 0.059 0.000 0.789 128 S HN 0.547 nan 8.310 nan 0.000 0.490 129 A N 0.495 123.334 122.820 0.032 0.000 2.131 129 A HA -0.065 4.256 4.320 0.001 0.000 0.220 129 A C 2.222 179.978 177.584 0.287 0.000 1.158 129 A CA 1.307 53.466 52.037 0.204 0.000 0.665 129 A CB -1.523 17.421 19.000 -0.093 0.000 0.795 129 A HN 0.715 nan 8.150 nan 0.000 0.460 130 C N -2.620 116.794 119.300 0.189 0.000 2.449 130 C HA -0.087 4.373 4.460 0.001 0.000 0.283 130 C C 1.983 177.088 174.990 0.192 0.000 1.453 130 C CA 0.169 59.271 59.018 0.140 0.000 1.779 130 C CB -1.990 25.666 27.740 -0.138 0.000 1.779 130 C HN 0.869 nan 8.230 nan 0.000 0.546 131 W N 0.305 121.835 121.300 0.383 0.000 2.640 131 W HA -0.006 4.655 4.660 0.001 0.000 0.268 131 W C 2.370 179.030 176.519 0.234 0.000 1.263 131 W CA 0.672 58.210 57.345 0.321 0.000 1.344 131 W CB -1.020 28.600 29.460 0.266 0.000 1.093 131 W HN 0.092 nan 8.180 nan 0.000 0.603 132 T N 0.257 115.129 114.554 0.529 0.000 2.668 132 T HA -0.334 4.017 4.350 0.001 0.000 0.265 132 T C 1.073 175.885 174.700 0.187 0.000 1.041 132 T CA 1.671 63.986 62.100 0.358 0.000 1.160 132 T CB -0.911 68.216 68.868 0.432 0.000 0.857 132 T HN 0.162 nan 8.240 nan 0.000 0.455 133 C N 1.391 120.780 119.300 0.149 0.000 2.470 133 C HA 0.377 4.838 4.460 0.001 0.000 0.311 133 C C 1.481 176.494 174.990 0.038 0.000 1.387 133 C CA -0.846 58.202 59.018 0.050 0.000 1.783 133 C CB -0.749 26.979 27.740 -0.020 0.000 2.416 133 C HN 0.392 nan 8.230 nan 0.000 0.558 134 K N 0.307 120.778 120.400 0.118 0.000 2.481 134 K HA 0.221 4.541 4.320 0.001 0.000 0.210 134 K C 0.243 176.919 176.600 0.126 0.000 1.161 134 K CA 0.377 56.745 56.287 0.136 0.000 1.023 134 K CB 0.962 33.616 32.500 0.257 0.000 0.971 134 K HN 0.340 nan 8.250 nan 0.000 0.577 135 S N 0.932 116.687 115.700 0.092 0.000 2.537 135 S HA 0.350 4.820 4.470 0.001 0.000 0.271 135 S C -2.576 172.023 174.600 -0.002 0.000 1.148 135 S CA -1.031 57.201 58.200 0.053 0.000 0.868 135 S CB 1.898 65.132 63.200 0.057 0.000 1.115 135 S HN -0.182 nan 8.310 nan 0.000 0.461 136 P HA 0.096 nan 4.420 nan 0.000 0.236 136 P C 0.386 177.709 177.300 0.038 0.000 1.177 136 P CA 0.544 63.674 63.100 0.050 0.000 0.773 136 P CB 0.078 31.837 31.700 0.099 0.000 0.878 137 D N -0.213 120.155 120.400 -0.054 0.000 2.312 137 D HA -0.051 4.589 4.640 0.001 0.000 0.211 137 D C 1.961 178.123 176.300 -0.231 0.000 0.964 137 D CA 0.586 54.502 54.000 -0.139 0.000 0.877 137 D CB 0.024 40.700 40.800 -0.207 0.000 0.924 137 D HN 0.033 nan 8.370 nan 0.000 0.515 138 V N 2.461 122.232 119.914 -0.238 0.000 2.237 138 V HA -0.164 3.957 4.120 0.001 0.000 0.245 138 V C -0.559 175.258 176.094 -0.462 0.000 1.046 138 V CA 1.798 63.839 62.300 -0.431 0.000 1.007 138 V CB -1.423 30.192 31.823 -0.346 0.000 0.638 138 V HN 0.178 nan 8.190 nan 0.000 0.445 139 P HA -0.212 nan 4.420 nan 0.000 0.218 139 P C 1.605 178.836 177.300 -0.114 0.000 1.148 139 P CA 1.553 64.505 63.100 -0.247 0.000 0.822 139 P CB -0.115 31.428 31.700 -0.262 0.000 0.784 140 R N 0.348 120.833 120.500 -0.024 0.000 2.073 140 R HA -0.090 4.250 4.340 0.001 0.000 0.234 140 R C 2.432 178.650 176.300 -0.137 0.000 1.134 140 R CA 1.483 57.566 56.100 -0.028 0.000 0.952 140 R CB -0.700 29.554 30.300 -0.077 0.000 0.850 140 R HN 0.134 nan 8.270 nan 0.000 0.433 141 I N 0.398 120.819 120.570 -0.249 0.000 2.353 141 I HA -0.231 3.940 4.170 0.001 0.000 0.248 141 I C 2.246 178.216 176.117 -0.244 0.000 1.119 141 I CA 0.957 62.093 61.300 -0.273 0.000 1.417 141 I CB -0.131 37.602 38.000 -0.446 0.000 1.078 141 I HN 0.235 nan 8.210 nan 0.000 0.421 142 I N 0.816 121.171 120.570 -0.358 0.000 2.226 142 I HA -0.267 3.903 4.170 0.001 0.000 0.245 142 I C 2.253 178.268 176.117 -0.169 0.000 1.100 142 I CA 1.565 62.680 61.300 -0.309 0.000 1.374 142 I CB -0.352 37.389 38.000 -0.432 0.000 1.057 142 I HN 0.248 nan 8.210 nan 0.000 0.413 143 E N 0.092 120.207 120.200 -0.141 0.000 2.268 143 E HA -0.249 4.102 4.350 0.001 0.000 0.195 143 E C 1.999 178.567 176.600 -0.055 0.000 0.995 143 E CA 0.644 56.997 56.400 -0.079 0.000 0.836 143 E CB -0.022 29.656 29.700 -0.036 0.000 0.763 143 E HN 0.551 nan 8.360 nan 0.000 0.491 144 Q N 0.559 120.321 119.800 -0.064 0.000 2.159 144 Q HA -0.096 4.244 4.340 0.001 0.000 0.194 144 Q C 0.933 176.923 176.000 -0.016 0.000 0.968 144 Q CA 0.941 56.720 55.803 -0.040 0.000 0.837 144 Q CB 0.468 29.176 28.738 -0.050 0.000 0.920 144 Q HN 0.136 nan 8.270 nan 0.000 0.485 145 D N -0.428 119.965 120.400 -0.011 0.000 2.369 145 D HA 0.214 4.854 4.640 0.001 0.000 0.211 145 D C 0.309 176.629 176.300 0.033 0.000 1.077 145 D CA 0.913 54.935 54.000 0.037 0.000 0.842 145 D CB 1.026 41.878 40.800 0.086 0.000 0.947 145 D HN 0.433 nan 8.370 nan 0.000 0.509 146 G N 1.798 110.587 108.800 -0.018 0.000 2.690 146 G HA2 -0.240 3.720 3.960 0.001 0.000 0.686 146 G HA3 -0.240 3.720 3.960 0.001 0.000 0.686 146 G C 0.463 175.324 174.900 -0.064 0.000 1.277 146 G CA -0.081 44.994 45.100 -0.042 0.000 0.799 146 G HN 0.094 nan 8.290 nan 0.000 0.613 147 E N -0.097 120.052 120.200 -0.084 0.000 2.051 147 E HA -0.090 4.261 4.350 0.001 0.000 0.192 147 E C 2.606 179.191 176.600 -0.025 0.000 0.991 147 E CA 1.474 57.845 56.400 -0.049 0.000 0.799 147 E CB -0.138 29.579 29.700 0.030 0.000 0.748 147 E HN 0.559 nan 8.360 nan 0.000 0.449 148 L N 0.587 121.656 121.223 -0.256 0.000 2.017 148 L HA -0.189 4.151 4.340 0.001 0.000 0.208 148 L C 2.739 179.339 176.870 -0.449 0.000 1.073 148 L CA 1.493 55.949 54.840 -0.641 0.000 0.745 148 L CB -0.445 40.640 42.059 -1.625 0.000 0.894 148 L HN 0.208 nan 8.230 nan 0.000 0.432 149 E N -0.156 119.899 120.200 -0.242 0.000 2.110 149 E HA -0.286 4.064 4.350 0.001 0.000 0.193 149 E C 2.047 178.776 176.600 0.214 0.000 0.988 149 E CA 1.427 57.962 56.400 0.224 0.000 0.804 149 E CB -0.410 29.460 29.700 0.284 0.000 0.745 149 E HN 0.450 nan 8.360 nan 0.000 0.458 150 Y N -0.269 120.035 120.300 0.006 0.000 2.181 150 Y HA -0.153 4.397 4.550 0.000 0.000 0.288 150 Y C 1.315 177.235 175.900 0.032 0.000 1.146 150 Y CA 1.573 59.658 58.100 -0.025 0.000 1.164 150 Y CB -0.415 37.826 38.460 -0.364 0.000 0.982 150 Y HN 0.048 nan 8.280 nan 0.000 0.515 151 F N 0.477 120.357 119.950 -0.117 0.000 2.804 151 F HA 0.126 4.653 4.527 0.000 0.000 0.303 151 F C 0.551 176.299 175.800 -0.087 0.000 1.154 151 F CA 0.257 58.140 58.000 -0.195 0.000 1.401 151 F CB -0.662 38.288 39.000 -0.083 0.000 1.106 151 F HN -0.189 nan 8.300 nan 0.000 0.568 152 T N 0.188 114.841 114.554 0.165 0.000 2.794 152 T HA 0.632 4.983 4.350 0.001 0.000 0.280 152 T C 0.346 175.092 174.700 0.078 0.000 0.987 152 T CA -0.016 62.208 62.100 0.206 0.000 0.993 152 T CB 1.217 70.331 68.868 0.411 0.000 0.939 152 T HN 0.462 nan 8.240 nan 0.000 0.449 153 G N 2.794 111.624 108.800 0.051 0.000 2.498 153 G HA2 -0.039 3.921 3.960 0.001 0.000 0.651 153 G HA3 -0.039 3.921 3.960 0.001 0.000 0.651 153 G C -1.189 173.711 174.900 0.001 0.000 1.284 153 G CA -1.062 44.036 45.100 -0.004 0.000 0.950 153 G HN 0.610 nan 8.290 nan 0.000 0.511 154 K N -0.904 119.501 120.400 0.009 0.000 2.107 154 K HA 0.295 4.615 4.320 0.001 0.000 0.251 154 K C 1.043 177.737 176.600 0.157 0.000 1.012 154 K CA -0.209 56.126 56.287 0.080 0.000 0.920 154 K CB 1.039 33.598 32.500 0.099 0.000 1.033 154 K HN 0.661 nan 8.250 nan 0.000 0.478 155 W N 2.383 123.693 121.300 0.016 0.000 2.338 155 W HA -0.224 4.436 4.660 0.001 0.000 0.304 155 W C 1.649 178.359 176.519 0.318 0.000 1.212 155 W CA 2.472 59.850 57.345 0.054 0.000 1.264 155 W CB -0.314 29.028 29.460 -0.196 0.000 1.142 155 W HN 0.707 nan 8.180 nan 0.000 0.512 156 A N 0.668 123.650 122.820 0.270 0.000 2.131 156 A HA -0.248 4.073 4.320 0.001 0.000 0.220 156 A C 2.044 179.616 177.584 -0.020 0.000 1.158 156 A CA 1.892 54.048 52.037 0.198 0.000 0.665 156 A CB -1.018 18.232 19.000 0.416 0.000 0.795 156 A HN 0.487 nan 8.150 nan 0.000 0.460 157 K N -1.421 118.925 120.400 -0.091 0.000 2.113 157 K HA -0.190 4.130 4.320 0.001 0.000 0.208 157 K C 0.372 176.659 176.600 -0.521 0.000 1.047 157 K CA 1.674 57.763 56.287 -0.331 0.000 0.928 157 K CB -0.237 31.954 32.500 -0.515 0.000 0.716 157 K HN 0.544 nan 8.250 nan 0.000 0.446 158 Y N -0.343 119.765 120.300 -0.320 0.000 2.658 158 Y HA 0.274 4.825 4.550 0.000 0.000 0.276 158 Y C 1.644 176.908 175.900 -1.060 0.000 1.167 158 Y CA -0.222 57.502 58.100 -0.626 0.000 1.230 158 Y CB 0.332 38.350 38.460 -0.736 0.000 1.144 158 Y HN 0.127 nan 8.280 nan 0.000 0.529 159 G N 0.625 108.720 108.800 -1.175 0.000 2.475 159 G HA2 -0.288 3.672 3.960 0.001 0.000 0.220 159 G HA3 -0.288 3.672 3.960 0.001 0.000 0.220 159 G C 1.258 175.310 174.900 -1.414 0.000 1.125 159 G CA 1.531 45.271 45.100 -2.266 0.000 0.755 159 G HN 0.481 nan 8.290 nan 0.000 0.565 160 D N -0.940 118.939 120.400 -0.868 0.000 2.368 160 D HA 0.113 4.753 4.640 0.001 0.000 0.218 160 D C 1.289 177.415 176.300 -0.290 0.000 1.112 160 D CA 0.080 53.852 54.000 -0.379 0.000 0.834 160 D CB 0.217 40.924 40.800 -0.155 0.000 0.953 160 D HN 0.214 nan 8.370 nan 0.000 0.505 161 E N 0.042 120.007 120.200 -0.392 0.000 2.354 161 E HA 0.255 4.606 4.350 0.001 0.000 0.203 161 E C 0.677 177.035 176.600 -0.402 0.000 0.841 161 E CA 0.088 56.302 56.400 -0.310 0.000 1.046 161 E CB 1.226 30.794 29.700 -0.218 0.000 1.040 161 E HN 0.310 nan 8.360 nan 0.000 0.504 162 I N 3.053 123.229 120.570 -0.656 0.000 2.276 162 I HA 0.041 4.211 4.170 0.001 0.000 0.290 162 I C 0.904 176.710 176.117 -0.519 0.000 1.109 162 I CA -0.131 60.762 61.300 -0.678 0.000 1.229 162 I CB 0.703 38.028 38.000 -1.125 0.000 1.452 162 I HN -0.143 nan 8.210 nan 0.000 0.497 163 V N 0.793 120.558 119.914 -0.249 0.000 3.398 163 V HA 0.354 4.475 4.120 0.001 0.000 0.298 163 V C 0.464 176.547 176.094 -0.019 0.000 1.496 163 V CA -0.283 61.957 62.300 -0.099 0.000 1.044 163 V CB -0.260 31.515 31.823 -0.081 0.000 0.880 163 V HN 0.541 nan 8.190 nan 0.000 0.443 164 N N 1.222 119.910 118.700 -0.020 0.000 2.417 164 N HA 0.430 5.171 4.740 0.001 0.000 0.300 164 N C -0.502 175.043 175.510 0.057 0.000 1.102 164 N CA -0.008 53.059 53.050 0.029 0.000 0.886 164 N CB 2.221 40.730 38.487 0.037 0.000 1.203 164 N HN 0.290 nan 8.380 nan 0.000 0.496 165 T N 0.687 115.282 114.554 0.069 0.000 2.881 165 T HA 0.384 4.735 4.350 0.001 0.000 0.278 165 T C 0.766 175.548 174.700 0.137 0.000 0.982 165 T CA -0.661 61.480 62.100 0.068 0.000 0.989 165 T CB 0.326 69.171 68.868 -0.037 0.000 1.058 165 T HN 0.302 nan 8.240 nan 0.000 0.529 166 I N 2.930 123.550 120.570 0.083 0.000 3.475 166 I HA -0.003 4.167 4.170 0.001 0.000 0.350 166 I C 1.111 177.420 176.117 0.319 0.000 1.223 166 I CA 0.462 61.803 61.300 0.069 0.000 1.517 166 I CB -0.694 37.213 38.000 -0.155 0.000 1.308 166 I HN 0.658 nan 8.210 nan 0.000 0.465 167 G N 4.385 113.299 108.800 0.189 0.000 3.015 167 G HA2 0.381 4.341 3.960 0.001 0.000 0.281 167 G HA3 0.381 4.341 3.960 0.001 0.000 0.281 167 G C 0.654 175.425 174.900 -0.214 0.000 1.386 167 G CA -0.377 44.767 45.100 0.074 0.000 0.959 167 G HN 0.664 nan 8.290 nan 0.000 0.522 168 C N -1.260 117.657 119.300 -0.638 0.000 2.401 168 C HA -0.147 4.313 4.460 0.001 0.000 0.276 168 C C 2.228 176.857 174.990 -0.602 0.000 1.233 168 C CA 1.024 59.529 59.018 -0.855 0.000 1.753 168 C CB -1.165 25.380 27.740 -1.991 0.000 2.029 168 C HN 0.595 nan 8.230 nan 0.000 0.478 169 Y N 2.300 122.277 120.300 -0.538 0.000 2.574 169 Y HA -0.053 4.497 4.550 0.000 0.000 0.294 169 Y C 1.919 177.742 175.900 -0.129 0.000 1.142 169 Y CA 1.151 59.169 58.100 -0.136 0.000 1.314 169 Y CB -0.862 37.633 38.460 0.057 0.000 0.991 169 Y HN 0.440 nan 8.280 nan 0.000 0.555 170 N N -2.219 116.380 118.700 -0.169 0.000 2.409 170 N HA -0.093 4.647 4.740 0.001 0.000 0.179 170 N C 1.074 176.413 175.510 -0.286 0.000 1.032 170 N CA 1.343 54.260 53.050 -0.222 0.000 0.898 170 N CB 0.006 38.410 38.487 -0.139 0.000 0.971 170 N HN 0.235 nan 8.380 nan 0.000 0.441 171 C N -1.148 117.976 119.300 -0.295 0.000 3.580 171 C HA 0.302 4.762 4.460 0.001 0.000 0.337 171 C C -0.064 174.629 174.990 -0.494 0.000 1.412 171 C CA -0.478 58.304 59.018 -0.393 0.000 1.797 171 C CB -0.691 26.802 27.740 -0.410 0.000 2.470 171 C HN 0.361 nan 8.230 nan 0.000 0.691 172 H N 1.011 119.997 119.070 -0.139 0.000 2.622 172 H HA 0.292 4.849 4.556 0.001 0.000 0.363 172 H C -1.194 174.238 175.328 0.173 0.000 1.151 172 H CA -0.156 55.907 56.048 0.024 0.000 1.184 172 H CB 1.304 31.090 29.762 0.041 0.000 1.643 172 H HN 0.202 nan 8.280 nan 0.000 0.531 173 D N 1.818 122.428 120.400 0.350 0.000 2.351 173 D HA -0.065 4.575 4.640 0.001 0.000 0.251 173 D C 0.515 177.095 176.300 0.466 0.000 1.137 173 D CA -0.130 54.048 54.000 0.297 0.000 0.879 173 D CB 1.081 41.993 40.800 0.188 0.000 1.181 173 D HN 0.651 nan 8.370 nan 0.000 0.448 174 D N 3.070 123.727 120.400 0.429 0.000 2.352 174 D HA -0.072 4.568 4.640 0.001 0.000 0.232 174 D C 0.614 176.972 176.300 0.096 0.000 1.055 174 D CA 0.468 54.534 54.000 0.109 0.000 0.891 174 D CB 0.315 41.110 40.800 -0.008 0.000 0.897 174 D HN 0.377 nan 8.370 nan 0.000 0.529 175 K N -0.178 120.322 120.400 0.167 0.000 2.380 175 K HA 0.040 4.360 4.320 0.001 0.000 0.200 175 K C 2.014 178.596 176.600 -0.029 0.000 1.201 175 K CA 0.692 57.017 56.287 0.063 0.000 0.916 175 K CB 0.472 32.984 32.500 0.020 0.000 1.187 175 K HN 0.093 nan 8.250 nan 0.000 0.498 176 S N 0.012 115.756 115.700 0.073 0.000 2.502 176 S HA 0.317 4.788 4.470 0.001 0.000 0.215 176 S C 1.275 175.961 174.600 0.142 0.000 1.009 176 S CA 0.350 58.580 58.200 0.051 0.000 0.908 176 S CB 0.898 64.138 63.200 0.067 0.000 0.801 176 S HN 0.275 nan 8.310 nan 0.000 0.505 177 A N 0.513 123.506 122.820 0.288 0.000 3.172 177 A HA -0.211 4.110 4.320 0.001 0.000 0.263 177 A C 0.213 178.001 177.584 0.341 0.000 1.215 177 A CA 1.220 53.459 52.037 0.336 0.000 1.065 177 A CB -2.484 16.649 19.000 0.222 0.000 1.148 177 A HN 0.711 nan 8.150 nan 0.000 0.904 178 E N -0.384 119.988 120.200 0.288 0.000 2.390 178 E HA 0.449 4.799 4.350 0.001 0.000 0.261 178 E C 0.240 177.025 176.600 0.308 0.000 1.076 178 E CA -0.618 55.955 56.400 0.287 0.000 0.905 178 E CB 0.463 30.286 29.700 0.204 0.000 0.984 178 E HN 0.559 nan 8.360 nan 0.000 0.427 179 L N 2.601 123.995 121.223 0.285 0.000 2.490 179 L HA 0.074 4.415 4.340 0.001 0.000 0.274 179 L C 0.411 177.401 176.870 0.199 0.000 1.201 179 L CA 0.580 55.523 54.840 0.171 0.000 0.869 179 L CB -0.043 42.159 42.059 0.238 0.000 1.123 179 L HN 0.281 nan 8.230 nan 0.000 0.484 180 K N 1.595 121.908 120.400 -0.145 0.000 2.532 180 K HA 0.312 4.632 4.320 0.001 0.000 0.265 180 K C -1.136 174.899 176.600 -0.942 0.000 0.948 180 K CA -0.637 55.323 56.287 -0.545 0.000 0.842 180 K CB 2.174 34.501 32.500 -0.287 0.000 1.392 180 K HN 0.454 nan 8.250 nan 0.000 0.436 181 S N 1.468 116.350 115.700 -1.363 0.000 2.457 181 S HA 0.261 4.731 4.470 0.001 0.000 0.289 181 S C 0.307 174.548 174.600 -0.598 0.000 1.163 181 S CA -0.444 57.197 58.200 -0.932 0.000 1.078 181 S CB 0.349 63.014 63.200 -0.892 0.000 0.987 181 S HN 0.351 nan 8.310 nan 0.000 0.482 182 K N 2.846 122.950 120.400 -0.493 0.000 2.374 182 K HA 0.167 4.487 4.320 0.001 0.000 0.196 182 K C 0.304 176.662 176.600 -0.404 0.000 1.023 182 K CA 0.288 56.318 56.287 -0.428 0.000 1.103 182 K CB 0.119 32.352 32.500 -0.445 0.000 0.848 182 K HN 0.595 nan 8.250 nan 0.000 0.528 183 V N -0.926 118.701 119.914 -0.479 0.000 2.357 183 V HA 0.343 4.463 4.120 0.001 0.000 0.284 183 V C -2.193 173.547 176.094 -0.590 0.000 1.018 183 V CA -2.038 59.901 62.300 -0.601 0.000 0.841 183 V CB 1.760 32.987 31.823 -0.995 0.000 0.991 183 V HN -0.207 nan 8.190 nan 0.000 0.437 184 P HA -0.126 nan 4.420 nan 0.000 0.219 184 P C 1.239 178.446 177.300 -0.156 0.000 1.146 184 P CA 1.624 64.605 63.100 -0.198 0.000 0.808 184 P CB -0.124 31.529 31.700 -0.077 0.000 0.779 185 Y N -1.457 118.815 120.300 -0.048 0.000 2.421 185 Y HA -0.010 4.540 4.550 0.001 0.000 0.292 185 Y C 1.920 177.722 175.900 -0.162 0.000 1.136 185 Y CA 0.138 58.181 58.100 -0.094 0.000 1.255 185 Y CB -1.583 36.820 38.460 -0.095 0.000 0.991 185 Y HN -0.142 nan 8.280 nan 0.000 0.552 186 L N 1.349 122.400 121.223 -0.286 0.000 2.005 186 L HA -0.118 4.222 4.340 0.001 0.000 0.207 186 L C 1.742 178.567 176.870 -0.075 0.000 1.072 186 L CA 1.992 56.722 54.840 -0.183 0.000 0.744 186 L CB -0.989 40.910 42.059 -0.266 0.000 0.895 186 L HN 0.117 nan 8.230 nan 0.000 0.433 187 D N -0.505 119.857 120.400 -0.063 0.000 2.144 187 D HA -0.159 4.481 4.640 0.001 0.000 0.199 187 D C 2.336 178.676 176.300 0.066 0.000 0.984 187 D CA 1.045 55.062 54.000 0.029 0.000 0.834 187 D CB -0.063 40.746 40.800 0.016 0.000 0.955 187 D HN 0.354 nan 8.370 nan 0.000 0.465 188 R N 0.084 120.604 120.500 0.033 0.000 2.096 188 R HA -0.064 4.276 4.340 0.001 0.000 0.235 188 R C 2.349 178.701 176.300 0.088 0.000 1.127 188 R CA 1.265 57.400 56.100 0.058 0.000 0.968 188 R CB -0.499 29.825 30.300 0.040 0.000 0.861 188 R HN 0.171 nan 8.270 nan 0.000 0.440 189 G N 1.055 109.872 108.800 0.029 0.000 2.402 189 G HA2 -0.192 3.769 3.960 0.001 0.000 0.216 189 G HA3 -0.192 3.769 3.960 0.001 0.000 0.216 189 G C 1.491 176.682 174.900 0.486 0.000 1.162 189 G CA 0.220 45.351 45.100 0.051 0.000 0.777 189 G HN 0.102 nan 8.290 nan 0.000 0.539 190 L N 0.833 122.322 121.223 0.444 0.000 2.012 190 L HA -0.134 4.207 4.340 0.001 0.000 0.210 190 L C 3.239 180.382 176.870 0.456 0.000 1.073 190 L CA 1.440 56.611 54.840 0.552 0.000 0.748 190 L CB -0.459 41.803 42.059 0.339 0.000 0.891 190 L HN 0.186 nan 8.230 nan 0.000 0.431 191 S N -0.151 115.722 115.700 0.289 0.000 2.356 191 S HA -0.194 4.276 4.470 0.001 0.000 0.223 191 S C 2.192 176.914 174.600 0.203 0.000 1.032 191 S CA 1.224 59.550 58.200 0.210 0.000 1.005 191 S CB -0.406 62.881 63.200 0.145 0.000 0.867 191 S HN 0.506 nan 8.310 nan 0.000 0.449 192 A N 1.300 124.255 122.820 0.226 0.000 1.940 192 A HA 0.049 4.369 4.320 0.001 0.000 0.219 192 A C 2.158 179.880 177.584 0.229 0.000 1.176 192 A CA 1.742 53.907 52.037 0.213 0.000 0.631 192 A CB -0.794 18.344 19.000 0.231 0.000 0.814 192 A HN 0.541 nan 8.150 nan 0.000 0.446 193 A N -2.190 120.825 122.820 0.325 0.000 2.251 193 A HA 0.425 4.746 4.320 0.001 0.000 0.209 193 A C 1.719 179.298 177.584 -0.010 0.000 1.187 193 A CA 1.157 53.343 52.037 0.248 0.000 0.823 193 A CB -0.775 18.514 19.000 0.482 0.000 0.846 193 A HN 1.919 nan 8.150 nan 0.000 0.486 194 G N -2.066 106.752 108.800 0.031 0.000 2.132 194 G HA2 -0.224 3.737 3.960 0.001 0.000 0.234 194 G HA3 -0.224 3.737 3.960 0.001 0.000 0.234 194 G C -0.104 174.703 174.900 -0.156 0.000 0.989 194 G CA 0.115 45.160 45.100 -0.092 0.000 0.676 194 G HN 0.276 nan 8.290 nan 0.000 0.522 195 F N 0.719 120.752 119.950 0.138 0.000 2.403 195 F HA 0.625 5.152 4.527 0.001 0.000 0.326 195 F C 1.150 177.023 175.800 0.121 0.000 1.081 195 F CA -0.679 57.407 58.000 0.143 0.000 1.041 195 F CB 0.926 40.054 39.000 0.212 0.000 1.234 195 F HN -0.115 nan 8.300 nan 0.000 0.503 196 K N 0.465 121.065 120.400 0.333 0.000 2.258 196 K HA 0.266 4.586 4.320 0.001 0.000 0.264 196 K C 0.217 176.931 176.600 0.189 0.000 1.007 196 K CA -0.411 55.995 56.287 0.198 0.000 0.941 196 K CB 0.624 33.210 32.500 0.143 0.000 0.966 196 K HN 0.766 nan 8.250 nan 0.000 0.480 197 T N -1.160 113.480 114.554 0.144 0.000 2.726 197 T HA 0.003 4.354 4.350 0.001 0.000 0.294 197 T C 1.080 175.860 174.700 0.133 0.000 1.013 197 T CA -0.422 61.763 62.100 0.143 0.000 0.996 197 T CB 0.242 69.183 68.868 0.121 0.000 1.016 197 T HN 0.499 nan 8.240 nan 0.000 0.529 198 F N 1.336 121.288 119.950 0.002 0.000 2.095 198 F HA 0.006 4.533 4.527 0.000 0.000 0.298 198 F C 2.631 178.434 175.800 0.005 0.000 1.104 198 F CA 1.874 59.862 58.000 -0.019 0.000 1.232 198 F CB -0.996 37.965 39.000 -0.064 0.000 0.987 198 F HN 0.715 nan 8.300 nan 0.000 0.475 199 A N -0.455 122.522 122.820 0.261 0.000 2.019 199 A HA -0.145 4.175 4.320 0.001 0.000 0.219 199 A C 1.898 179.515 177.584 0.056 0.000 1.164 199 A CA 1.701 53.837 52.037 0.166 0.000 0.644 199 A CB -0.542 18.546 19.000 0.147 0.000 0.805 199 A HN 0.442 nan 8.150 nan 0.000 0.449 200 E N 0.507 120.734 120.200 0.045 0.000 2.479 200 E HA 0.128 4.479 4.350 0.001 0.000 0.193 200 E C 0.095 176.700 176.600 0.007 0.000 1.049 200 E CA 0.061 56.481 56.400 0.034 0.000 0.870 200 E CB 0.108 29.841 29.700 0.056 0.000 0.944 200 E HN 0.461 nan 8.360 nan 0.000 0.492 201 S N 0.997 116.664 115.700 -0.055 0.000 2.652 201 S HA 0.232 4.702 4.470 0.001 0.000 0.270 201 S C 0.625 175.176 174.600 -0.082 0.000 1.243 201 S CA -0.510 57.644 58.200 -0.077 0.000 0.999 201 S CB 1.238 64.337 63.200 -0.168 0.000 0.973 201 S HN 0.279 nan 8.310 nan 0.000 0.544 202 T N -1.191 113.341 114.554 -0.036 0.000 2.766 202 T HA 0.143 4.494 4.350 0.001 0.000 0.295 202 T C 1.032 175.725 174.700 -0.011 0.000 1.024 202 T CA 0.003 62.106 62.100 0.004 0.000 1.018 202 T CB 0.199 69.089 68.868 0.036 0.000 1.002 202 T HN 0.695 nan 8.240 nan 0.000 0.532 203 H N 0.292 119.337 119.070 -0.042 0.000 2.353 203 H HA -0.077 4.479 4.556 0.001 0.000 0.300 203 H C 2.305 177.623 175.328 -0.018 0.000 1.090 203 H CA 2.382 58.410 56.048 -0.033 0.000 1.327 203 H CB -0.216 29.555 29.762 0.016 0.000 1.383 203 H HN 0.721 nan 8.280 nan 0.000 0.508 204 Q N 0.748 120.551 119.800 0.004 0.000 2.124 204 Q HA -0.129 4.211 4.340 0.001 0.000 0.202 204 Q C 2.034 178.004 176.000 -0.050 0.000 0.977 204 Q CA 2.044 57.831 55.803 -0.027 0.000 0.850 204 Q CB -0.044 28.724 28.738 0.050 0.000 0.901 204 Q HN 0.693 nan 8.270 nan 0.000 0.429 205 E N -0.197 119.978 120.200 -0.042 0.000 2.106 205 E HA -0.157 4.193 4.350 0.001 0.000 0.192 205 E C 1.886 178.414 176.600 -0.120 0.000 0.984 205 E CA 1.045 57.432 56.400 -0.023 0.000 0.806 205 E CB -0.015 29.677 29.700 -0.013 0.000 0.750 205 E HN 0.330 nan 8.360 nan 0.000 0.458 206 K N 0.639 120.871 120.400 -0.280 0.000 2.211 206 K HA -0.075 4.245 4.320 0.001 0.000 0.203 206 K C 1.979 178.478 176.600 -0.168 0.000 1.050 206 K CA 0.690 56.730 56.287 -0.412 0.000 0.945 206 K CB -0.040 32.111 32.500 -0.581 0.000 0.732 206 K HN -0.028 nan 8.250 nan 0.000 0.451 207 R N -0.022 120.361 120.500 -0.195 0.000 2.328 207 R HA 0.001 4.341 4.340 0.001 0.000 0.207 207 R C 1.567 177.820 176.300 -0.079 0.000 1.056 207 R CA 0.716 56.728 56.100 -0.146 0.000 1.016 207 R CB 0.149 30.345 30.300 -0.173 0.000 0.872 207 R HN 0.029 nan 8.270 nan 0.000 0.471 208 S N -0.431 115.251 115.700 -0.030 0.000 2.599 208 S HA 0.177 4.647 4.470 0.001 0.000 0.236 208 S C 1.541 176.148 174.600 0.012 0.000 1.077 208 S CA -0.228 57.980 58.200 0.013 0.000 0.906 208 S CB 0.375 63.675 63.200 0.167 0.000 0.804 208 S HN 0.122 nan 8.310 nan 0.000 0.497 209 L N 2.434 123.652 121.223 -0.008 0.000 2.191 209 L HA -0.077 4.263 4.340 0.001 0.000 0.212 209 L C 2.416 179.314 176.870 0.047 0.000 1.103 209 L CA 0.991 55.795 54.840 -0.060 0.000 0.769 209 L CB -0.824 41.250 42.059 0.025 0.000 0.908 209 L HN 0.300 nan 8.230 nan 0.000 0.438 210 V N -4.146 115.840 119.914 0.120 0.000 2.490 210 V HA -0.253 3.867 4.120 0.001 0.000 0.250 210 V C 2.324 178.400 176.094 -0.031 0.000 1.061 210 V CA 1.629 63.941 62.300 0.019 0.000 1.064 210 V CB -1.290 30.520 31.823 -0.021 0.000 0.670 210 V HN 0.471 nan 8.190 nan 0.000 0.461 211 C N 1.258 120.553 119.300 -0.008 0.000 2.457 211 C HA 0.262 4.723 4.460 0.001 0.000 0.278 211 C C 3.219 178.275 174.990 0.110 0.000 1.309 211 C CA 0.620 59.669 59.018 0.053 0.000 1.735 211 C CB -1.513 26.215 27.740 -0.020 0.000 1.992 211 C HN 0.676 nan 8.230 nan 0.000 0.493 212 A N 0.313 123.128 122.820 -0.008 0.000 2.225 212 A HA -0.192 4.128 4.320 0.001 0.000 0.215 212 A C 2.062 179.654 177.584 0.014 0.000 1.164 212 A CA 1.114 53.124 52.037 -0.044 0.000 0.710 212 A CB -0.571 18.102 19.000 -0.546 0.000 0.780 212 A HN 0.780 nan 8.150 nan 0.000 0.473 213 Q N -1.425 118.360 119.800 -0.026 0.000 2.226 213 Q HA -0.161 4.180 4.340 0.001 0.000 0.204 213 Q C 1.693 177.751 176.000 0.097 0.000 0.975 213 Q CA 1.674 57.447 55.803 -0.050 0.000 0.866 213 Q CB -0.211 28.436 28.738 -0.152 0.000 0.915 213 Q HN 0.824 nan 8.270 nan 0.000 0.440 214 C N -2.053 117.290 119.300 0.071 0.000 2.878 214 C HA 0.129 4.589 4.460 0.001 0.000 0.490 214 C C 1.078 176.028 174.990 -0.068 0.000 1.339 214 C CA -0.503 58.509 59.018 -0.011 0.000 2.353 214 C CB -0.199 27.453 27.740 -0.147 0.000 3.174 214 C HN 0.421 nan 8.230 nan 0.000 0.569 215 H N 2.237 121.372 119.070 0.108 0.000 2.983 215 H HA 0.380 4.936 4.556 0.000 0.000 0.222 215 H C -0.050 175.520 175.328 0.403 0.000 1.828 215 H CA 0.744 56.910 56.048 0.196 0.000 1.309 215 H CB -0.316 29.545 29.762 0.165 0.000 1.644 215 H HN 0.436 nan 8.280 nan 0.000 0.561 216 V N -1.237 119.011 119.914 0.557 0.000 3.181 216 V HA 0.402 4.523 4.120 0.001 0.000 0.308 216 V C -0.226 176.251 176.094 0.638 0.000 1.214 216 V CA -1.406 61.281 62.300 0.646 0.000 1.053 216 V CB 2.712 34.913 31.823 0.628 0.000 1.069 216 V HN 0.205 nan 8.190 nan 0.000 0.441 217 E N 1.655 122.189 120.200 0.556 0.000 2.313 217 E HA 0.660 5.010 4.350 0.001 0.000 0.272 217 E C -0.929 175.880 176.600 0.349 0.000 1.038 217 E CA -0.051 56.575 56.400 0.377 0.000 0.863 217 E CB 1.241 31.168 29.700 0.379 0.000 1.060 217 E HN 1.074 nan 8.360 nan 0.000 0.402 218 Y N 1.087 121.457 120.300 0.117 0.000 2.744 218 Y HA 0.676 5.227 4.550 0.000 0.000 0.330 218 Y C -1.701 174.243 175.900 0.073 0.000 1.263 218 Y CA -1.465 56.636 58.100 0.001 0.000 1.065 218 Y CB 0.786 39.139 38.460 -0.179 0.000 1.306 218 Y HN 0.604 nan 8.280 nan 0.000 0.459 219 Y N -0.907 119.293 120.300 -0.167 0.000 2.625 219 Y HA 0.795 5.345 4.550 0.000 0.000 0.338 219 Y C -2.420 173.469 175.900 -0.019 0.000 1.123 219 Y CA -2.550 55.397 58.100 -0.256 0.000 1.046 219 Y CB 1.175 39.511 38.460 -0.207 0.000 1.299 219 Y HN 0.495 nan 8.280 nan 0.000 0.464 220 F N 2.224 122.274 119.950 0.166 0.000 2.405 220 F HA 0.493 5.020 4.527 0.001 0.000 0.355 220 F C 0.184 175.980 175.800 -0.005 0.000 1.121 220 F CA -1.174 56.826 58.000 -0.000 0.000 1.112 220 F CB 1.658 40.749 39.000 0.152 0.000 1.126 220 F HN 0.480 nan 8.300 nan 0.000 0.481 221 K N 4.066 124.437 120.400 -0.048 0.000 2.263 221 K HA 0.217 4.537 4.320 0.001 0.000 0.272 221 K C -0.157 176.496 176.600 0.088 0.000 1.033 221 K CA -0.705 55.607 56.287 0.043 0.000 0.884 221 K CB 0.719 33.144 32.500 -0.125 0.000 1.107 221 K HN 0.592 nan 8.250 nan 0.000 0.460 222 K N 3.019 123.530 120.400 0.185 0.000 2.419 222 K HA 0.033 4.353 4.320 0.001 0.000 0.282 222 K C -1.128 175.544 176.600 0.120 0.000 1.056 222 K CA 0.503 56.879 56.287 0.148 0.000 1.035 222 K CB 0.428 33.031 32.500 0.173 0.000 0.921 222 K HN 0.495 nan 8.250 nan 0.000 0.472 223 T N 4.921 119.541 114.554 0.111 0.000 2.815 223 T HA 0.183 4.534 4.350 0.001 0.000 0.289 223 T C -1.073 173.769 174.700 0.237 0.000 1.000 223 T CA -0.931 61.245 62.100 0.126 0.000 0.958 223 T CB 1.161 70.059 68.868 0.051 0.000 0.944 223 T HN 0.463 nan 8.240 nan 0.000 0.442 224 E N 3.543 123.877 120.200 0.222 0.000 2.301 224 E HA 0.413 4.763 4.350 0.001 0.000 0.275 224 E C -0.181 176.641 176.600 0.370 0.000 1.030 224 E CA -0.465 56.087 56.400 0.253 0.000 0.852 224 E CB 1.273 31.058 29.700 0.142 0.000 1.060 224 E HN 0.711 nan 8.360 nan 0.000 0.401 225 W N 0.835 122.161 121.300 0.044 0.000 2.895 225 W HA 0.574 5.234 4.660 0.000 0.000 0.377 225 W C -1.574 174.969 176.519 0.039 0.000 1.191 225 W CA -0.998 56.373 57.345 0.045 0.000 1.179 225 W CB 0.708 30.201 29.460 0.055 0.000 1.469 225 W HN 0.381 nan 8.180 nan 0.000 0.577 226 K N 2.083 122.449 120.400 -0.056 0.000 2.507 226 K HA 0.285 4.606 4.320 0.001 0.000 0.251 226 K C -0.505 175.975 176.600 -0.200 0.000 0.943 226 K CA -0.385 55.721 56.287 -0.301 0.000 0.794 226 K CB 1.848 34.286 32.500 -0.103 0.000 1.188 226 K HN 0.403 nan 8.250 nan 0.000 0.428 227 D N 1.781 121.914 120.400 -0.446 0.000 2.398 227 D HA -0.017 4.624 4.640 0.001 0.000 0.247 227 D C 0.708 177.016 176.300 0.014 0.000 1.227 227 D CA -0.111 53.828 54.000 -0.100 0.000 0.980 227 D CB 0.609 41.315 40.800 -0.158 0.000 1.106 227 D HN 0.618 nan 8.370 nan 0.000 0.493 228 D N -0.244 120.205 120.400 0.083 0.000 2.133 228 D HA -0.270 4.370 4.640 0.001 0.000 0.195 228 D C 1.068 177.380 176.300 0.020 0.000 0.997 228 D CA 1.419 55.455 54.000 0.059 0.000 0.840 228 D CB -0.403 40.438 40.800 0.069 0.000 0.947 228 D HN 0.457 nan 8.370 nan 0.000 0.452 229 K N -0.461 119.939 120.400 0.001 0.000 2.551 229 K HA 0.208 4.528 4.320 0.001 0.000 0.192 229 K C 1.218 177.799 176.600 -0.033 0.000 1.027 229 K CA 0.450 56.729 56.287 -0.014 0.000 1.059 229 K CB -0.022 32.468 32.500 -0.017 0.000 0.831 229 K HN 0.375 nan 8.250 nan 0.000 0.508 230 G N 0.956 109.730 108.800 -0.043 0.000 2.143 230 G HA2 -0.242 3.718 3.960 0.001 0.000 0.248 230 G HA3 -0.242 3.718 3.960 0.001 0.000 0.248 230 G C 0.072 174.917 174.900 -0.093 0.000 0.991 230 G CA -0.019 45.048 45.100 -0.055 0.000 0.689 230 G HN 0.152 nan 8.290 nan 0.000 0.522 231 V N 1.474 121.304 119.914 -0.140 0.000 2.432 231 V HA 0.312 4.432 4.120 0.001 0.000 0.275 231 V C 0.236 176.161 176.094 -0.282 0.000 1.043 231 V CA -0.909 61.285 62.300 -0.176 0.000 0.925 231 V CB 1.489 33.211 31.823 -0.168 0.000 0.985 231 V HN 0.275 nan 8.190 nan 0.000 0.466 232 D N 5.293 125.560 120.400 -0.221 0.000 2.348 232 D HA 0.352 4.993 4.640 0.001 0.000 0.253 232 D C -0.038 176.074 176.300 -0.312 0.000 1.161 232 D CA 0.187 54.035 54.000 -0.253 0.000 0.876 232 D CB 1.288 42.009 40.800 -0.132 0.000 1.160 232 D HN 0.513 nan 8.370 nan 0.000 0.459 233 K N 0.660 120.754 120.400 -0.510 0.000 2.433 233 K HA 0.548 4.868 4.320 0.001 0.000 0.252 233 K C -0.667 175.857 176.600 -0.127 0.000 1.015 233 K CA -0.818 55.228 56.287 -0.401 0.000 0.860 233 K CB 2.102 34.225 32.500 -0.628 0.000 1.359 233 K HN 0.132 nan 8.250 nan 0.000 0.452 234 T N 0.948 115.567 114.554 0.107 0.000 2.840 234 T HA 0.547 4.898 4.350 0.001 0.000 0.287 234 T C -1.087 173.797 174.700 0.307 0.000 0.991 234 T CA -0.692 61.543 62.100 0.226 0.000 0.964 234 T CB 1.469 70.411 68.868 0.124 0.000 0.954 234 T HN 0.639 nan 8.240 nan 0.000 0.438 235 A N 3.913 126.940 122.820 0.346 0.000 2.337 235 A HA 0.861 5.182 4.320 0.001 0.000 0.331 235 A C -0.324 177.303 177.584 0.073 0.000 1.137 235 A CA -0.853 51.316 52.037 0.219 0.000 0.807 235 A CB 0.849 19.937 19.000 0.147 0.000 1.250 235 A HN 0.679 nan 8.150 nan 0.000 0.468 236 M N 2.935 122.523 119.600 -0.020 0.000 2.060 236 M HA 0.271 4.751 4.480 0.001 0.000 0.342 236 M C -0.831 175.235 176.300 -0.389 0.000 1.031 236 M CA -0.368 54.841 55.300 -0.152 0.000 0.981 236 M CB 0.469 32.904 32.600 -0.274 0.000 1.376 236 M HN 0.347 nan 8.290 nan 0.000 0.397 237 V N 3.913 123.559 119.914 -0.447 0.000 2.432 237 V HA 0.265 4.385 4.120 0.001 0.000 0.275 237 V C 0.598 176.276 176.094 -0.693 0.000 1.043 237 V CA -0.861 60.860 62.300 -0.965 0.000 0.925 237 V CB 1.539 33.008 31.823 -0.589 0.000 0.985 237 V HN 0.516 nan 8.190 nan 0.000 0.466 238 V N 5.270 124.637 119.914 -0.912 0.000 2.540 238 V HA 0.135 4.255 4.120 0.001 0.000 0.297 238 V C 0.616 176.389 176.094 -0.536 0.000 1.024 238 V CA 0.745 62.763 62.300 -0.469 0.000 1.105 238 V CB 0.548 31.997 31.823 -0.623 0.000 0.938 238 V HN 1.045 nan 8.190 nan 0.000 0.482 239 T N 6.601 120.851 114.554 -0.507 0.000 2.921 239 T HA 0.514 4.864 4.350 0.001 0.000 0.297 239 T C -0.476 173.983 174.700 -0.401 0.000 1.013 239 T CA -0.563 61.228 62.100 -0.515 0.000 0.990 239 T CB 1.230 69.621 68.868 -0.795 0.000 1.023 239 T HN 0.360 nan 8.240 nan 0.000 0.447 240 L N 5.014 125.999 121.223 -0.396 0.000 2.281 240 L HA 0.340 4.680 4.340 0.001 0.000 0.285 240 L C -1.561 175.021 176.870 -0.480 0.000 1.074 240 L CA -2.041 52.443 54.840 -0.593 0.000 0.817 240 L CB 0.758 42.032 42.059 -1.308 0.000 1.168 240 L HN 0.400 nan 8.230 nan 0.000 0.434 241 P HA -0.041 nan 4.420 nan 0.000 0.238 241 P C -0.162 176.848 177.300 -0.483 0.000 1.714 241 P CA 0.005 62.487 63.100 -1.030 0.000 0.908 241 P CB -0.136 30.866 31.700 -1.164 0.000 1.893 242 W N 0.382 121.496 121.300 -0.310 0.000 3.220 242 W HA 0.099 4.760 4.660 0.000 0.000 0.328 242 W C 1.895 178.445 176.519 0.052 0.000 1.205 242 W CA -0.140 57.179 57.345 -0.043 0.000 1.773 242 W CB -1.290 28.246 29.460 0.127 0.000 1.086 242 W HN 0.221 nan 8.180 nan 0.000 0.622 243 S N 0.318 116.196 115.700 0.296 0.000 2.465 243 S HA -0.168 4.303 4.470 0.001 0.000 0.241 243 S C 1.352 176.089 174.600 0.228 0.000 1.000 243 S CA 1.085 59.464 58.200 0.298 0.000 0.964 243 S CB -0.239 63.171 63.200 0.349 0.000 0.763 243 S HN 0.306 nan 8.310 nan 0.000 0.512 244 K N 0.850 121.383 120.400 0.222 0.000 2.374 244 K HA 0.439 4.760 4.320 0.001 0.000 0.202 244 K C 0.648 177.309 176.600 0.100 0.000 1.040 244 K CA 0.260 56.632 56.287 0.141 0.000 1.085 244 K CB 0.977 33.559 32.500 0.137 0.000 0.873 244 K HN 0.498 nan 8.250 nan 0.000 0.539 245 G N 1.513 110.386 108.800 0.121 0.000 2.381 245 G HA2 -0.129 3.832 3.960 0.001 0.000 0.672 245 G HA3 -0.129 3.832 3.960 0.001 0.000 0.672 245 G C -0.112 174.815 174.900 0.046 0.000 1.324 245 G CA -0.668 44.473 45.100 0.067 0.000 0.975 245 G HN 0.150 nan 8.290 nan 0.000 0.593 246 I N -1.194 119.354 120.570 -0.036 0.000 3.904 246 I HA 0.458 4.629 4.170 0.001 0.000 0.333 246 I C 1.100 177.183 176.117 -0.056 0.000 1.361 246 I CA 0.400 61.599 61.300 -0.169 0.000 1.116 246 I CB 0.283 38.050 38.000 -0.389 0.000 1.028 246 I HN 0.690 nan 8.210 nan 0.000 0.398 247 S N 0.092 115.794 115.700 0.003 0.000 2.617 247 S HA 0.247 4.717 4.470 0.001 0.000 0.269 247 S C 1.087 175.751 174.600 0.107 0.000 1.292 247 S CA 0.006 58.221 58.200 0.025 0.000 1.010 247 S CB 1.351 64.561 63.200 0.016 0.000 0.944 247 S HN 0.261 nan 8.310 nan 0.000 0.536 248 T N 2.054 116.671 114.554 0.106 0.000 2.720 248 T HA -0.098 4.253 4.350 0.001 0.000 0.268 248 T C 1.459 176.363 174.700 0.341 0.000 1.037 248 T CA 2.115 64.336 62.100 0.202 0.000 1.144 248 T CB -0.533 68.350 68.868 0.026 0.000 0.864 248 T HN 0.762 nan 8.240 nan 0.000 0.444 249 E N 1.187 121.496 120.200 0.181 0.000 2.106 249 E HA -0.076 4.275 4.350 0.001 0.000 0.192 249 E C 2.429 179.104 176.600 0.126 0.000 0.984 249 E CA 0.932 57.416 56.400 0.140 0.000 0.806 249 E CB -0.226 29.508 29.700 0.057 0.000 0.750 249 E HN 0.558 nan 8.360 nan 0.000 0.458 250 Q N -0.355 119.514 119.800 0.116 0.000 2.079 250 Q HA -0.051 4.289 4.340 0.001 0.000 0.200 250 Q C 2.155 178.230 176.000 0.125 0.000 0.974 250 Q CA 1.284 57.146 55.803 0.098 0.000 0.840 250 Q CB -0.133 28.652 28.738 0.078 0.000 0.898 250 Q HN 0.332 nan 8.270 nan 0.000 0.430 251 M N 0.231 119.938 119.600 0.179 0.000 2.229 251 M HA -0.172 4.309 4.480 0.001 0.000 0.264 251 M C 2.090 178.421 176.300 0.053 0.000 1.063 251 M CA 1.234 56.605 55.300 0.119 0.000 1.114 251 M CB -0.220 32.607 32.600 0.379 0.000 1.387 251 M HN 0.237 nan 8.290 nan 0.000 0.420 252 E N 0.787 121.081 120.200 0.157 0.000 2.077 252 E HA -0.193 4.157 4.350 0.001 0.000 0.193 252 E C 1.989 178.587 176.600 -0.003 0.000 0.989 252 E CA 1.391 57.764 56.400 -0.044 0.000 0.800 252 E CB 0.041 29.788 29.700 0.078 0.000 0.746 252 E HN 0.478 nan 8.360 nan 0.000 0.452 253 A N 0.246 123.084 122.820 0.030 0.000 1.933 253 A HA -0.200 4.120 4.320 0.001 0.000 0.218 253 A C 2.012 179.608 177.584 0.021 0.000 1.175 253 A CA 1.436 53.485 52.037 0.021 0.000 0.628 253 A CB -0.867 18.147 19.000 0.024 0.000 0.814 253 A HN 0.587 nan 8.150 nan 0.000 0.444 254 Y N -0.725 119.492 120.300 -0.138 0.000 2.097 254 Y HA -0.281 4.270 4.550 0.001 0.000 0.282 254 Y C 2.135 177.869 175.900 -0.278 0.000 1.152 254 Y CA 2.077 60.038 58.100 -0.231 0.000 1.136 254 Y CB -0.577 37.675 38.460 -0.346 0.000 0.975 254 Y HN 0.354 nan 8.280 nan 0.000 0.498 255 Y N 0.624 120.951 120.300 0.045 0.000 2.242 255 Y HA -0.177 4.373 4.550 0.001 0.000 0.291 255 Y C 2.308 178.139 175.900 -0.114 0.000 1.137 255 Y CA 1.582 59.614 58.100 -0.114 0.000 1.181 255 Y CB -0.705 37.605 38.460 -0.251 0.000 0.989 255 Y HN 0.200 nan 8.280 nan 0.000 0.527 256 D N -0.266 120.169 120.400 0.060 0.000 2.144 256 D HA -0.159 4.481 4.640 0.001 0.000 0.200 256 D C 2.048 178.337 176.300 -0.019 0.000 0.978 256 D CA 1.107 55.123 54.000 0.026 0.000 0.833 256 D CB -0.264 40.572 40.800 0.060 0.000 0.961 256 D HN 0.463 nan 8.370 nan 0.000 0.470 257 E N 0.574 120.739 120.200 -0.060 0.000 2.085 257 E HA -0.154 4.196 4.350 0.001 0.000 0.194 257 E C 1.862 178.404 176.600 -0.097 0.000 0.994 257 E CA 0.875 57.222 56.400 -0.088 0.000 0.801 257 E CB -0.045 29.575 29.700 -0.134 0.000 0.743 257 E HN 0.413 nan 8.360 nan 0.000 0.453 258 I N -1.965 118.526 120.570 -0.132 0.000 3.810 258 I HA 0.123 4.294 4.170 0.001 0.000 0.322 258 I C -0.389 175.733 176.117 0.008 0.000 1.288 258 I CA -0.233 61.016 61.300 -0.085 0.000 1.143 258 I CB -0.140 37.765 38.000 -0.158 0.000 1.012 258 I HN -0.070 nan 8.210 nan 0.000 0.423 259 N N 1.998 120.700 118.700 0.003 0.000 2.714 259 N HA -0.272 4.468 4.740 0.001 0.000 0.252 259 N C -0.369 175.159 175.510 0.030 0.000 1.014 259 N CA 0.867 53.916 53.050 -0.000 0.000 0.735 259 N CB -1.374 37.100 38.487 -0.021 0.000 0.924 259 N HN 0.570 nan 8.380 nan 0.000 0.540 260 F N 0.905 120.802 119.950 -0.088 0.000 2.375 260 F HA 0.541 5.069 4.527 0.001 0.000 0.333 260 F C 0.305 176.000 175.800 -0.175 0.000 1.104 260 F CA -0.378 57.563 58.000 -0.098 0.000 1.149 260 F CB 1.062 40.020 39.000 -0.069 0.000 1.190 260 F HN 0.194 nan 8.300 nan 0.000 0.533 261 A N 4.687 126.859 122.820 -1.081 0.000 2.459 261 A HA 0.304 4.624 4.320 0.001 0.000 0.296 261 A C -0.146 176.861 177.584 -0.961 0.000 1.039 261 A CA -0.628 50.934 52.037 -0.791 0.000 0.698 261 A CB 0.883 19.593 19.000 -0.484 0.000 1.261 261 A HN 0.776 nan 8.150 nan 0.000 0.405 262 D N 0.585 120.668 120.400 -0.529 0.000 2.194 262 D HA 0.080 4.721 4.640 0.001 0.000 0.204 262 D C 0.189 176.566 176.300 0.127 0.000 0.964 262 D CA 2.191 56.112 54.000 -0.132 0.000 0.846 262 D CB 0.231 41.071 40.800 0.065 0.000 0.962 262 D HN 0.740 nan 8.370 nan 0.000 0.490 263 W N -0.911 120.201 121.300 -0.312 0.000 3.057 263 W HA 0.332 4.992 4.660 0.000 0.000 0.328 263 W C -1.773 174.664 176.519 -0.136 0.000 1.232 263 W CA -0.828 56.421 57.345 -0.160 0.000 1.187 263 W CB 0.344 29.765 29.460 -0.065 0.000 1.417 263 W HN -0.492 nan 8.180 nan 0.000 0.569 264 T N 3.058 117.560 114.554 -0.086 0.000 2.733 264 T HA 0.101 4.451 4.350 0.001 0.000 0.294 264 T C -0.213 174.426 174.700 -0.102 0.000 0.956 264 T CA -0.164 61.827 62.100 -0.181 0.000 0.987 264 T CB -0.069 68.770 68.868 -0.049 0.000 0.920 264 T HN 0.488 nan 8.240 nan 0.000 0.470 265 H N 2.434 121.293 119.070 -0.352 0.000 3.140 265 H HA -0.037 4.519 4.556 0.000 0.000 0.316 265 H C 1.521 176.889 175.328 0.068 0.000 0.986 265 H CA 0.881 56.877 56.048 -0.087 0.000 1.397 265 H CB 0.723 30.397 29.762 -0.147 0.000 1.377 265 H HN 0.884 nan 8.280 nan 0.000 0.585 266 G N 4.698 113.407 108.800 -0.151 0.000 2.470 266 G HA2 -0.138 3.822 3.960 0.001 0.000 0.220 266 G HA3 -0.138 3.822 3.960 0.001 0.000 0.220 266 G C 1.581 176.509 174.900 0.045 0.000 1.121 266 G CA 0.708 45.788 45.100 -0.033 0.000 0.766 266 G HN 0.668 nan 8.290 nan 0.000 0.553 267 I N 0.278 120.965 120.570 0.195 0.000 3.194 267 I HA 0.018 4.189 4.170 0.001 0.000 0.271 267 I C 2.637 178.888 176.117 0.224 0.000 1.150 267 I CA 1.031 62.470 61.300 0.231 0.000 1.440 267 I CB 0.187 38.338 38.000 0.252 0.000 1.276 267 I HN 0.211 nan 8.210 nan 0.000 0.457 268 S N 0.152 116.047 115.700 0.326 0.000 2.548 268 S HA 0.059 4.529 4.470 0.001 0.000 0.215 268 S C 1.233 175.876 174.600 0.071 0.000 0.976 268 S CA -0.039 58.239 58.200 0.130 0.000 0.908 268 S CB 0.016 63.272 63.200 0.093 0.000 0.781 268 S HN 0.352 nan 8.310 nan 0.000 0.519 269 K N 0.862 121.328 120.400 0.109 0.000 3.088 269 K HA -0.147 4.173 4.320 0.001 0.000 0.273 269 K C -0.880 175.695 176.600 -0.042 0.000 1.111 269 K CA 0.987 57.289 56.287 0.025 0.000 0.803 269 K CB -2.181 30.318 32.500 -0.002 0.000 1.226 269 K HN 0.541 nan 8.250 nan 0.000 0.485 270 T N 2.387 116.912 114.554 -0.047 0.000 2.913 270 T HA 0.229 4.579 4.350 0.001 0.000 0.297 270 T C -2.464 172.086 174.700 -0.249 0.000 1.029 270 T CA -0.944 61.071 62.100 -0.142 0.000 1.104 270 T CB 1.245 70.024 68.868 -0.148 0.000 0.964 270 T HN 0.107 nan 8.240 nan 0.000 0.532 271 P HA 0.203 nan 4.420 nan 0.000 0.277 271 P C -0.637 176.393 177.300 -0.451 0.000 1.354 271 P CA -0.412 62.480 63.100 -0.346 0.000 0.891 271 P CB 0.393 31.934 31.700 -0.266 0.000 1.058 272 M N 3.618 122.788 119.600 -0.716 0.000 2.359 272 M HA 0.429 4.909 4.480 0.001 0.000 0.322 272 M C 0.324 176.229 176.300 -0.659 0.000 1.166 272 M CA -0.738 54.042 55.300 -0.868 0.000 1.067 272 M CB 0.722 32.203 32.600 -1.865 0.000 1.523 272 M HN 0.234 nan 8.290 nan 0.000 0.467 273 L N 1.590 122.594 121.223 -0.365 0.000 2.362 273 L HA 0.487 4.828 4.340 0.001 0.000 0.275 273 L C -0.351 176.625 176.870 0.176 0.000 0.998 273 L CA -0.868 53.851 54.840 -0.202 0.000 0.820 273 L CB 1.978 43.816 42.059 -0.369 0.000 1.270 273 L HN 0.565 nan 8.230 nan 0.000 0.415 274 K N 2.699 123.191 120.400 0.155 0.000 2.235 274 K HA 0.684 5.004 4.320 0.001 0.000 0.266 274 K C -0.678 176.000 176.600 0.130 0.000 0.980 274 K CA -0.190 56.160 56.287 0.105 0.000 0.849 274 K CB 1.694 34.064 32.500 -0.216 0.000 1.098 274 K HN 0.592 nan 8.250 nan 0.000 0.445 275 A N 4.255 127.113 122.820 0.064 0.000 2.309 275 A HA 0.512 4.833 4.320 0.001 0.000 0.298 275 A C -1.045 176.397 177.584 -0.237 0.000 1.165 275 A CA -0.491 51.505 52.037 -0.069 0.000 0.821 275 A CB 0.564 19.351 19.000 -0.356 0.000 1.102 275 A HN 0.748 nan 8.150 nan 0.000 0.500 276 Q N 1.041 120.681 119.800 -0.267 0.000 2.292 276 Q HA 0.433 4.773 4.340 0.001 0.000 0.270 276 Q C -0.993 174.675 176.000 -0.554 0.000 1.024 276 Q CA -0.623 54.882 55.803 -0.496 0.000 0.768 276 Q CB 1.342 29.692 28.738 -0.646 0.000 1.250 276 Q HN 0.965 nan 8.270 nan 0.000 0.447 277 H N -0.284 118.921 119.070 0.225 0.000 2.000 277 H HA -0.153 4.403 4.556 0.000 0.000 0.321 277 H C -2.202 173.317 175.328 0.318 0.000 0.878 277 H CA 0.089 56.314 56.048 0.295 0.000 1.061 277 H CB -1.162 28.800 29.762 0.333 0.000 1.579 277 H HN 0.424 nan 8.280 nan 0.000 0.316 278 P HA 0.031 nan 4.420 nan 0.000 0.220 278 P C 0.069 177.603 177.300 0.389 0.000 1.778 278 P CA -0.232 63.089 63.100 0.369 0.000 0.912 278 P CB 0.518 32.355 31.700 0.229 0.000 1.861 279 D N -0.186 120.499 120.400 0.475 0.000 2.092 279 D HA -0.200 4.440 4.640 0.001 0.000 0.193 279 D C 1.545 178.080 176.300 0.391 0.000 0.994 279 D CA 1.381 55.646 54.000 0.442 0.000 0.828 279 D CB -0.514 40.562 40.800 0.460 0.000 0.963 279 D HN 0.330 nan 8.370 nan 0.000 0.450 280 W N 1.886 123.338 121.300 0.254 0.000 2.379 280 W HA -0.144 4.517 4.660 0.000 0.000 0.307 280 W C 2.222 178.862 176.519 0.202 0.000 1.200 280 W CA 1.496 58.974 57.345 0.221 0.000 1.297 280 W CB -0.087 29.498 29.460 0.207 0.000 1.140 280 W HN -0.101 nan 8.180 nan 0.000 0.507 281 E N 0.090 120.445 120.200 0.258 0.000 2.070 281 E HA -0.263 4.088 4.350 0.001 0.000 0.197 281 E C 2.188 178.701 176.600 -0.145 0.000 1.004 281 E CA 1.896 58.252 56.400 -0.074 0.000 0.805 281 E CB -0.830 28.922 29.700 0.087 0.000 0.744 281 E HN 0.157 nan 8.360 nan 0.000 0.451 282 L N -0.100 121.135 121.223 0.020 0.000 2.072 282 L HA -0.137 4.203 4.340 0.001 0.000 0.205 282 L C 2.407 179.259 176.870 -0.029 0.000 1.079 282 L CA 1.603 56.451 54.840 0.014 0.000 0.752 282 L CB -0.931 41.196 42.059 0.113 0.000 0.906 282 L HN 0.308 nan 8.230 nan 0.000 0.436 283 Y N 0.933 121.157 120.300 -0.126 0.000 2.145 283 Y HA -0.249 4.302 4.550 0.000 0.000 0.286 283 Y C 2.600 178.312 175.900 -0.315 0.000 1.145 283 Y CA 1.543 59.525 58.100 -0.196 0.000 1.148 283 Y CB -0.231 38.052 38.460 -0.295 0.000 0.981 283 Y HN -0.094 nan 8.280 nan 0.000 0.507 284 K N 0.206 120.099 120.400 -0.845 0.000 2.107 284 K HA -0.179 4.142 4.320 0.001 0.000 0.211 284 K C 1.718 177.918 176.600 -0.667 0.000 1.049 284 K CA 2.080 57.749 56.287 -1.030 0.000 0.927 284 K CB -0.994 30.812 32.500 -1.158 0.000 0.714 284 K HN 0.675 nan 8.250 nan 0.000 0.452 285 T N -2.728 111.556 114.554 -0.450 0.000 3.145 285 T HA 0.289 4.639 4.350 0.001 0.000 0.255 285 T C 0.794 175.348 174.700 -0.244 0.000 1.039 285 T CA -0.170 61.755 62.100 -0.291 0.000 0.928 285 T CB 0.514 69.264 68.868 -0.196 0.000 1.029 285 T HN 0.096 nan 8.240 nan 0.000 0.554 286 G N 0.651 109.278 108.800 -0.288 0.000 2.562 286 G HA2 0.542 4.502 3.960 0.001 0.000 0.275 286 G HA3 0.542 4.502 3.960 0.001 0.000 0.275 286 G C 0.745 175.514 174.900 -0.219 0.000 1.196 286 G CA -0.819 44.161 45.100 -0.200 0.000 0.908 286 G HN 0.299 nan 8.290 nan 0.000 0.524 287 I N -0.729 119.724 120.570 -0.195 0.000 2.226 287 I HA -0.199 3.972 4.170 0.001 0.000 0.245 287 I C 2.472 178.454 176.117 -0.226 0.000 1.100 287 I CA 1.506 62.674 61.300 -0.220 0.000 1.374 287 I CB -0.025 37.823 38.000 -0.253 0.000 1.057 287 I HN 0.673 nan 8.210 nan 0.000 0.413 288 H N -0.073 118.911 119.070 -0.143 0.000 2.353 288 H HA -0.118 4.438 4.556 0.001 0.000 0.300 288 H C 2.192 177.434 175.328 -0.143 0.000 1.090 288 H CA 1.718 57.723 56.048 -0.071 0.000 1.327 288 H CB -0.595 29.184 29.762 0.028 0.000 1.383 288 H HN 0.448 nan 8.280 nan 0.000 0.508 289 G N 0.106 108.740 108.800 -0.277 0.000 2.418 289 G HA2 -0.271 3.690 3.960 0.001 0.000 0.217 289 G HA3 -0.271 3.690 3.960 0.001 0.000 0.217 289 G C 1.425 176.101 174.900 -0.373 0.000 1.158 289 G CA 0.706 45.375 45.100 -0.718 0.000 0.771 289 G HN 0.420 nan 8.290 nan 0.000 0.545 290 Q N -0.323 119.309 119.800 -0.280 0.000 2.167 290 Q HA -0.053 4.288 4.340 0.001 0.000 0.202 290 Q C 2.343 178.277 176.000 -0.110 0.000 0.970 290 Q CA 1.272 56.968 55.803 -0.178 0.000 0.855 290 Q CB -0.053 28.591 28.738 -0.157 0.000 0.911 290 Q HN 0.347 nan 8.270 nan 0.000 0.438 291 K N -0.178 120.164 120.400 -0.096 0.000 2.432 291 K HA -0.021 4.299 4.320 0.001 0.000 0.196 291 K C 0.847 177.441 176.600 -0.010 0.000 1.038 291 K CA 1.112 57.369 56.287 -0.050 0.000 0.986 291 K CB 0.068 32.538 32.500 -0.051 0.000 0.782 291 K HN 0.260 nan 8.250 nan 0.000 0.485 292 G N -0.474 108.324 108.800 -0.003 0.000 2.144 292 G HA2 -0.194 3.766 3.960 0.001 0.000 0.218 292 G HA3 -0.194 3.766 3.960 0.001 0.000 0.218 292 G C -0.353 174.602 174.900 0.092 0.000 0.988 292 G CA 0.094 45.219 45.100 0.042 0.000 0.659 292 G HN 0.143 nan 8.290 nan 0.000 0.522 293 V N 2.371 122.361 119.914 0.126 0.000 2.508 293 V HA 0.518 4.638 4.120 0.001 0.000 0.281 293 V C 1.233 177.458 176.094 0.218 0.000 1.041 293 V CA 0.336 62.731 62.300 0.158 0.000 1.016 293 V CB 1.191 33.148 31.823 0.224 0.000 0.984 293 V HN 0.926 nan 8.190 nan 0.000 0.478 294 S N 3.744 119.511 115.700 0.111 0.000 2.652 294 S HA 0.158 4.628 4.470 0.001 0.000 0.270 294 S C 1.230 175.787 174.600 -0.072 0.000 1.243 294 S CA -0.497 57.735 58.200 0.054 0.000 0.999 294 S CB 1.160 64.356 63.200 -0.007 0.000 0.973 294 S HN 0.718 nan 8.310 nan 0.000 0.544 295 C N 1.102 120.272 119.300 -0.216 0.000 2.401 295 C HA -0.057 4.404 4.460 0.001 0.000 0.276 295 C C 3.188 178.133 174.990 -0.075 0.000 1.233 295 C CA 1.162 60.053 59.018 -0.212 0.000 1.753 295 C CB -2.163 25.420 27.740 -0.262 0.000 2.029 295 C HN 1.004 nan 8.230 nan 0.000 0.478 296 A N 0.806 123.560 122.820 -0.110 0.000 1.972 296 A HA -0.206 4.115 4.320 0.001 0.000 0.219 296 A C 1.802 179.272 177.584 -0.190 0.000 1.169 296 A CA 2.054 54.008 52.037 -0.137 0.000 0.635 296 A CB -0.577 18.324 19.000 -0.165 0.000 0.810 296 A HN 0.584 nan 8.150 nan 0.000 0.446 297 D N -0.560 119.736 120.400 -0.174 0.000 2.182 297 D HA -0.135 4.506 4.640 0.001 0.000 0.201 297 D C 1.865 178.060 176.300 -0.175 0.000 0.986 297 D CA 1.626 55.513 54.000 -0.190 0.000 0.847 297 D CB -0.250 40.493 40.800 -0.096 0.000 0.942 297 D HN 0.513 nan 8.370 nan 0.000 0.467 298 C N -0.749 118.447 119.300 -0.172 0.000 2.525 298 C HA 0.089 4.549 4.460 0.001 0.000 0.291 298 C C 2.303 177.092 174.990 -0.335 0.000 1.351 298 C CA -0.178 58.685 59.018 -0.258 0.000 1.771 298 C CB -0.530 27.013 27.740 -0.328 0.000 2.177 298 C HN 0.419 nan 8.230 nan 0.000 0.510 299 H N -0.466 118.519 119.070 -0.142 0.000 2.544 299 H HA 0.260 4.816 4.556 0.000 0.000 0.269 299 H C 0.780 176.021 175.328 -0.144 0.000 0.970 299 H CA 0.889 56.855 56.048 -0.138 0.000 1.219 299 H CB 0.205 29.881 29.762 -0.144 0.000 1.421 299 H HN 0.434 nan 8.280 nan 0.000 0.555 300 M N 1.681 121.233 119.600 -0.080 0.000 3.402 300 M HA 0.207 4.688 4.480 0.001 0.000 0.372 300 M C -2.653 173.520 176.300 -0.212 0.000 1.610 300 M CA -1.494 53.724 55.300 -0.136 0.000 0.650 300 M CB 2.234 34.724 32.600 -0.182 0.000 1.421 300 M HN -0.153 nan 8.290 nan 0.000 0.493 301 P HA -0.047 nan 4.420 nan 0.000 0.267 301 P C -1.044 176.146 177.300 -0.183 0.000 1.200 301 P CA 0.326 63.285 63.100 -0.234 0.000 0.772 301 P CB 0.388 32.002 31.700 -0.144 0.000 0.855 302 Y N 0.724 120.980 120.300 -0.074 0.000 2.497 302 Y HA 0.206 4.756 4.550 0.001 0.000 0.334 302 Y C 1.422 177.230 175.900 -0.153 0.000 1.199 302 Y CA 0.703 58.744 58.100 -0.098 0.000 1.425 302 Y CB -0.029 38.411 38.460 -0.034 0.000 1.291 302 Y HN 0.275 nan 8.280 nan 0.000 0.562 303 T N 3.352 117.847 114.554 -0.099 0.000 2.906 303 T HA 0.438 4.789 4.350 0.001 0.000 0.295 303 T C -1.218 173.429 174.700 -0.088 0.000 1.061 303 T CA -1.069 60.924 62.100 -0.179 0.000 1.000 303 T CB 2.064 70.686 68.868 -0.410 0.000 1.103 303 T HN 0.527 nan 8.240 nan 0.000 0.486 304 Q N 1.821 121.636 119.800 0.024 0.000 2.274 304 Q HA 0.361 4.701 4.340 0.001 0.000 0.268 304 Q C -1.377 174.699 176.000 0.127 0.000 1.015 304 Q CA -0.607 55.256 55.803 0.100 0.000 0.775 304 Q CB 1.168 29.947 28.738 0.068 0.000 1.256 304 Q HN 0.800 nan 8.270 nan 0.000 0.442 305 E N 3.655 123.965 120.200 0.184 0.000 2.207 305 E HA 0.563 4.914 4.350 0.001 0.000 0.250 305 E C 0.372 177.039 176.600 0.110 0.000 0.890 305 E CA -0.398 56.092 56.400 0.150 0.000 0.749 305 E CB 1.291 31.107 29.700 0.193 0.000 1.193 305 E HN 0.871 nan 8.360 nan 0.000 0.423 306 G N 3.523 112.371 108.800 0.080 0.000 2.559 306 G HA2 -0.411 3.549 3.960 0.001 0.000 0.282 306 G HA3 -0.411 3.549 3.960 0.001 0.000 0.282 306 G C 0.766 175.703 174.900 0.061 0.000 1.177 306 G CA 0.392 45.529 45.100 0.062 0.000 0.960 306 G HN 0.962 nan 8.290 nan 0.000 0.540 307 A N -0.524 122.332 122.820 0.060 0.000 2.390 307 A HA 0.667 4.987 4.320 0.001 0.000 0.232 307 A C 0.946 178.574 177.584 0.073 0.000 1.233 307 A CA 1.297 53.367 52.037 0.055 0.000 0.907 307 A CB 0.254 19.279 19.000 0.042 0.000 0.967 307 A HN 1.457 nan 8.150 nan 0.000 0.512 308 V N 1.723 121.695 119.914 0.097 0.000 2.508 308 V HA 0.195 4.315 4.120 0.001 0.000 0.281 308 V C -0.066 176.153 176.094 0.208 0.000 1.041 308 V CA 0.108 62.490 62.300 0.136 0.000 1.016 308 V CB 0.676 32.574 31.823 0.126 0.000 0.984 308 V HN 0.357 nan 8.190 nan 0.000 0.478 309 K N 5.615 126.140 120.400 0.209 0.000 2.376 309 K HA 0.703 5.023 4.320 0.001 0.000 0.257 309 K C -1.230 175.563 176.600 0.322 0.000 0.939 309 K CA -0.634 55.776 56.287 0.205 0.000 0.809 309 K CB 2.244 34.785 32.500 0.069 0.000 1.121 309 K HN 0.737 nan 8.250 nan 0.000 0.425 310 Y N -2.159 118.218 120.300 0.128 0.000 2.725 310 Y HA 0.448 4.998 4.550 0.000 0.000 0.333 310 Y C -1.163 174.915 175.900 0.296 0.000 1.242 310 Y CA -1.308 56.906 58.100 0.190 0.000 1.059 310 Y CB 0.795 39.361 38.460 0.176 0.000 1.306 310 Y HN 0.294 nan 8.280 nan 0.000 0.454 311 S N 1.838 117.747 115.700 0.349 0.000 2.475 311 S HA 0.161 4.632 4.470 0.001 0.000 0.281 311 S C -0.900 173.837 174.600 0.229 0.000 1.198 311 S CA -0.546 57.797 58.200 0.239 0.000 1.063 311 S CB 0.512 63.883 63.200 0.285 0.000 0.972 311 S HN 0.638 nan 8.310 nan 0.000 0.486 312 D N 1.312 121.699 120.400 -0.021 0.000 2.382 312 D HA 0.011 4.651 4.640 0.001 0.000 0.259 312 D C 0.351 176.752 176.300 0.169 0.000 1.224 312 D CA 0.267 54.317 54.000 0.083 0.000 0.894 312 D CB 0.364 41.148 40.800 -0.027 0.000 1.127 312 D HN 0.529 nan 8.370 nan 0.000 0.487 313 H N 2.068 121.259 119.070 0.201 0.000 2.539 313 H HA 0.092 4.649 4.556 0.001 0.000 0.269 313 H C 0.421 175.838 175.328 0.148 0.000 0.980 313 H CA 0.150 56.325 56.048 0.211 0.000 1.152 313 H CB 0.231 30.179 29.762 0.310 0.000 1.407 313 H HN 0.237 nan 8.280 nan 0.000 0.564 314 K N 1.814 122.312 120.400 0.165 0.000 2.111 314 K HA 0.107 4.428 4.320 0.001 0.000 0.249 314 K C -0.730 175.866 176.600 -0.007 0.000 1.157 314 K CA -0.201 56.116 56.287 0.050 0.000 1.048 314 K CB -0.233 32.285 32.500 0.030 0.000 1.498 314 K HN -0.031 nan 8.250 nan 0.000 0.344 315 V N 3.560 123.446 119.914 -0.048 0.000 2.458 315 V HA 0.166 4.287 4.120 0.001 0.000 0.287 315 V C 1.068 177.082 176.094 -0.133 0.000 1.009 315 V CA 0.724 62.956 62.300 -0.113 0.000 1.091 315 V CB 0.560 32.222 31.823 -0.269 0.000 0.960 315 V HN 0.984 nan 8.190 nan 0.000 0.476 316 G N 4.371 113.164 108.800 -0.011 0.000 2.791 316 G HA2 0.174 4.134 3.960 0.001 0.000 0.158 316 G HA3 0.174 4.134 3.960 0.001 0.000 0.158 316 G C -0.729 174.224 174.900 0.088 0.000 1.193 316 G CA -0.540 44.557 45.100 -0.004 0.000 1.032 316 G HN 0.491 nan 8.290 nan 0.000 0.557 317 N N 1.622 120.328 118.700 0.011 0.000 2.406 317 N HA 0.371 5.111 4.740 0.001 0.000 0.251 317 N C -1.617 173.837 175.510 -0.095 0.000 1.069 317 N CA -1.843 51.194 53.050 -0.022 0.000 0.947 317 N CB 1.845 40.304 38.487 -0.046 0.000 1.111 317 N HN -0.095 nan 8.380 nan 0.000 0.497 318 P HA -0.096 nan 4.420 nan 0.000 0.218 318 P C 1.205 178.391 177.300 -0.190 0.000 1.146 318 P CA 1.019 63.966 63.100 -0.256 0.000 0.813 318 P CB 0.299 31.738 31.700 -0.436 0.000 0.778 319 L N -1.188 119.925 121.223 -0.184 0.000 2.456 319 L HA -0.113 4.227 4.340 0.001 0.000 0.224 319 L C 1.557 178.369 176.870 -0.097 0.000 1.148 319 L CA 0.922 55.675 54.840 -0.145 0.000 0.825 319 L CB -0.816 41.155 42.059 -0.147 0.000 0.937 319 L HN -0.044 nan 8.230 nan 0.000 0.450 320 D N 0.027 120.375 120.400 -0.087 0.000 2.178 320 D HA -0.098 4.542 4.640 0.001 0.000 0.202 320 D C 0.944 177.213 176.300 -0.052 0.000 0.974 320 D CA 1.104 55.067 54.000 -0.062 0.000 0.841 320 D CB 0.036 40.804 40.800 -0.054 0.000 0.953 320 D HN 0.109 nan 8.370 nan 0.000 0.478 321 N N -0.082 118.582 118.700 -0.060 0.000 2.710 321 N HA 0.109 4.849 4.740 0.001 0.000 0.244 321 N C 0.397 175.875 175.510 -0.053 0.000 1.321 321 N CA 0.004 53.026 53.050 -0.046 0.000 0.758 321 N CB 0.462 38.927 38.487 -0.036 0.000 1.284 321 N HN -0.081 nan 8.380 nan 0.000 0.530 322 M N -0.273 119.297 119.600 -0.049 0.000 2.296 322 M HA -0.070 4.410 4.480 0.001 0.000 0.265 322 M C 0.820 177.110 176.300 -0.017 0.000 1.064 322 M CA 1.086 56.360 55.300 -0.043 0.000 1.109 322 M CB 0.078 32.656 32.600 -0.037 0.000 1.396 322 M HN 0.222 nan 8.290 nan 0.000 0.430 323 D N 0.615 121.009 120.400 -0.011 0.000 2.218 323 D HA -0.119 4.521 4.640 0.001 0.000 0.204 323 D C 1.899 178.198 176.300 -0.001 0.000 0.976 323 D CA 1.074 55.075 54.000 0.002 0.000 0.853 323 D CB 0.055 40.857 40.800 0.004 0.000 0.939 323 D HN 0.287 nan 8.370 nan 0.000 0.481 324 K N -0.160 120.229 120.400 -0.018 0.000 2.244 324 K HA 0.163 4.483 4.320 0.001 0.000 0.200 324 K C 2.044 178.617 176.600 -0.045 0.000 1.052 324 K CA 0.250 56.521 56.287 -0.026 0.000 0.980 324 K CB 0.069 32.547 32.500 -0.038 0.000 0.838 324 K HN -0.078 nan 8.250 nan 0.000 0.481 325 S N -0.007 115.656 115.700 -0.061 0.000 2.486 325 S HA 0.008 4.479 4.470 0.001 0.000 0.220 325 S C 1.728 176.300 174.600 -0.048 0.000 1.011 325 S CA 0.384 58.530 58.200 -0.090 0.000 0.921 325 S CB 0.130 63.242 63.200 -0.147 0.000 0.785 325 S HN 0.277 nan 8.310 nan 0.000 0.517 326 C N 0.044 119.346 119.300 0.005 0.000 2.904 326 C HA 0.312 4.772 4.460 0.001 0.000 0.524 326 C C 1.863 176.942 174.990 0.149 0.000 1.313 326 C CA -0.352 58.730 59.018 0.108 0.000 2.614 326 C CB -0.735 27.062 27.740 0.096 0.000 3.335 326 C HN 0.384 nan 8.230 nan 0.000 0.519 327 M N 2.510 122.163 119.600 0.089 0.000 2.706 327 M HA -0.043 4.437 4.480 0.001 0.000 0.251 327 M C 1.059 177.390 176.300 0.053 0.000 1.070 327 M CA 0.519 55.869 55.300 0.083 0.000 1.073 327 M CB -2.087 30.544 32.600 0.052 0.000 1.449 327 M HN 0.519 nan 8.290 nan 0.000 0.531 328 N N -1.131 117.590 118.700 0.035 0.000 2.416 328 N HA -0.045 4.696 4.740 0.001 0.000 0.177 328 N C 1.112 176.615 175.510 -0.012 0.000 1.036 328 N CA 0.534 53.595 53.050 0.018 0.000 0.901 328 N CB 0.297 38.796 38.487 0.021 0.000 0.976 328 N HN 0.356 nan 8.380 nan 0.000 0.444 329 C N -0.718 118.551 119.300 -0.052 0.000 3.364 329 C HA 0.242 4.702 4.460 0.001 0.000 0.340 329 C C 0.079 174.868 174.990 -0.334 0.000 1.336 329 C CA -0.387 58.518 59.018 -0.189 0.000 1.778 329 C CB -0.537 27.047 27.740 -0.259 0.000 2.398 329 C HN 0.360 nan 8.230 nan 0.000 0.667 330 H N 0.768 119.867 119.070 0.048 0.000 2.466 330 H HA 0.346 4.903 4.556 0.001 0.000 0.338 330 H C 0.390 175.737 175.328 0.032 0.000 1.091 330 H CA -0.076 55.999 56.048 0.045 0.000 1.207 330 H CB 0.987 30.785 29.762 0.060 0.000 1.466 330 H HN 0.253 nan 8.280 nan 0.000 0.493 331 R N 1.106 121.687 120.500 0.135 0.000 2.317 331 R HA 0.024 4.364 4.340 0.001 0.000 0.208 331 R C 0.793 177.138 176.300 0.075 0.000 0.914 331 R CA -0.015 56.134 56.100 0.082 0.000 1.060 331 R CB 0.747 31.078 30.300 0.053 0.000 1.015 331 R HN 0.692 nan 8.270 nan 0.000 0.498 332 E N 0.918 121.174 120.200 0.092 0.000 3.218 332 E HA 0.074 4.425 4.350 0.001 0.000 0.265 332 E C -0.251 176.375 176.600 0.044 0.000 1.393 332 E CA -0.394 56.041 56.400 0.057 0.000 1.160 332 E CB 0.235 29.963 29.700 0.047 0.000 1.272 332 E HN -0.202 nan 8.360 nan 0.000 0.720 333 S N -0.993 114.724 115.700 0.027 0.000 2.565 333 S HA 0.023 4.493 4.470 0.001 0.000 0.274 333 S C 0.838 175.445 174.600 0.012 0.000 1.309 333 S CA -0.242 57.969 58.200 0.019 0.000 1.043 333 S CB 0.749 63.957 63.200 0.013 0.000 0.939 333 S HN 0.491 nan 8.310 nan 0.000 0.504 334 E N 1.859 122.065 120.200 0.009 0.000 2.077 334 E HA -0.190 4.160 4.350 0.001 0.000 0.193 334 E C 1.855 178.450 176.600 -0.008 0.000 0.989 334 E CA 1.198 57.598 56.400 -0.001 0.000 0.800 334 E CB -0.107 29.591 29.700 -0.004 0.000 0.746 334 E HN 0.721 nan 8.360 nan 0.000 0.452 335 Q N 1.348 121.146 119.800 -0.004 0.000 2.124 335 Q HA -0.166 4.174 4.340 0.001 0.000 0.202 335 Q C 1.691 177.691 176.000 -0.000 0.000 0.977 335 Q CA 1.642 57.443 55.803 -0.004 0.000 0.850 335 Q CB 0.087 28.824 28.738 -0.001 0.000 0.901 335 Q HN 0.081 nan 8.270 nan 0.000 0.429 336 K N -0.306 120.095 120.400 0.003 0.000 2.057 336 K HA -0.100 4.220 4.320 0.001 0.000 0.207 336 K C 2.141 178.743 176.600 0.004 0.000 1.049 336 K CA 1.198 57.488 56.287 0.006 0.000 0.931 336 K CB -0.240 32.264 32.500 0.007 0.000 0.714 336 K HN 0.279 nan 8.250 nan 0.000 0.440 337 L N 1.278 122.496 121.223 -0.008 0.000 2.046 337 L HA -0.192 4.148 4.340 0.001 0.000 0.208 337 L C 2.399 179.268 176.870 -0.001 0.000 1.077 337 L CA 1.373 56.201 54.840 -0.019 0.000 0.747 337 L CB -0.274 41.753 42.059 -0.053 0.000 0.896 337 L HN 0.183 nan 8.230 nan 0.000 0.432 338 K N -0.291 120.103 120.400 -0.011 0.000 2.097 338 K HA -0.167 4.154 4.320 0.001 0.000 0.206 338 K C 1.647 178.260 176.600 0.022 0.000 1.049 338 K CA 1.327 57.608 56.287 -0.009 0.000 0.933 338 K CB -0.154 32.333 32.500 -0.022 0.000 0.717 338 K HN 0.318 nan 8.250 nan 0.000 0.442 339 D N 1.053 121.467 120.400 0.023 0.000 2.144 339 D HA -0.116 4.524 4.640 0.001 0.000 0.199 339 D C 1.918 178.255 176.300 0.061 0.000 0.984 339 D CA 0.954 54.976 54.000 0.036 0.000 0.834 339 D CB -0.117 40.697 40.800 0.024 0.000 0.955 339 D HN 0.195 nan 8.370 nan 0.000 0.465 340 I N 0.549 121.156 120.570 0.063 0.000 2.252 340 I HA -0.213 3.957 4.170 0.001 0.000 0.245 340 I C 2.395 178.603 176.117 0.152 0.000 1.102 340 I CA 0.557 61.910 61.300 0.088 0.000 1.385 340 I CB -0.039 38.002 38.000 0.069 0.000 1.064 340 I HN -0.123 nan 8.210 nan 0.000 0.414 341 V N 1.071 121.086 119.914 0.168 0.000 2.407 341 V HA -0.305 3.815 4.120 0.001 0.000 0.248 341 V C 2.508 178.802 176.094 0.334 0.000 1.055 341 V CA 1.933 64.397 62.300 0.274 0.000 1.049 341 V CB -0.723 31.188 31.823 0.147 0.000 0.662 341 V HN 0.438 nan 8.190 nan 0.000 0.455 342 K N -0.037 120.483 120.400 0.201 0.000 2.057 342 K HA -0.253 4.068 4.320 0.001 0.000 0.207 342 K C 2.215 178.944 176.600 0.216 0.000 1.049 342 K CA 1.808 58.204 56.287 0.182 0.000 0.931 342 K CB -0.156 32.399 32.500 0.093 0.000 0.714 342 K HN 0.535 nan 8.250 nan 0.000 0.440 343 Q N 0.366 120.267 119.800 0.168 0.000 2.124 343 Q HA -0.162 4.178 4.340 0.001 0.000 0.202 343 Q C 2.011 178.116 176.000 0.175 0.000 0.977 343 Q CA 1.719 57.602 55.803 0.134 0.000 0.850 343 Q CB 0.004 28.797 28.738 0.092 0.000 0.901 343 Q HN 0.314 nan 8.270 nan 0.000 0.429 344 K N -0.047 120.512 120.400 0.265 0.000 2.057 344 K HA -0.151 4.169 4.320 0.001 0.000 0.207 344 K C 1.854 178.690 176.600 0.394 0.000 1.049 344 K CA 1.125 57.613 56.287 0.335 0.000 0.931 344 K CB -0.214 32.543 32.500 0.428 0.000 0.714 344 K HN 0.103 nan 8.250 nan 0.000 0.440 345 F N 2.728 122.816 119.950 0.230 0.000 2.171 345 F HA -0.151 4.376 4.527 0.000 0.000 0.300 345 F C 1.858 177.619 175.800 -0.065 0.000 1.090 345 F CA 1.494 59.389 58.000 -0.175 0.000 1.293 345 F CB 0.024 38.761 39.000 -0.437 0.000 1.013 345 F HN 0.034 nan 8.300 nan 0.000 0.486 346 E N -0.190 120.040 120.200 0.049 0.000 2.110 346 E HA -0.203 4.147 4.350 0.001 0.000 0.193 346 E C 2.308 178.896 176.600 -0.019 0.000 0.988 346 E CA 1.103 57.496 56.400 -0.013 0.000 0.804 346 E CB -0.210 29.522 29.700 0.053 0.000 0.745 346 E HN 0.449 nan 8.360 nan 0.000 0.458 347 R N 0.942 121.458 120.500 0.028 0.000 2.075 347 R HA -0.083 4.257 4.340 0.001 0.000 0.232 347 R C 2.439 178.789 176.300 0.084 0.000 1.126 347 R CA 0.848 56.991 56.100 0.071 0.000 0.963 347 R CB -0.207 30.139 30.300 0.077 0.000 0.858 347 R HN -0.020 nan 8.270 nan 0.000 0.435 348 K N 1.362 121.760 120.400 -0.004 0.000 2.026 348 K HA -0.166 4.155 4.320 0.001 0.000 0.208 348 K C 1.755 178.277 176.600 -0.130 0.000 1.048 348 K CA 1.468 57.725 56.287 -0.049 0.000 0.929 348 K CB 0.052 32.510 32.500 -0.071 0.000 0.713 348 K HN 0.100 nan 8.250 nan 0.000 0.439 349 E N 0.127 120.149 120.200 -0.296 0.000 2.085 349 E HA -0.200 4.150 4.350 0.001 0.000 0.194 349 E C 1.905 178.477 176.600 -0.047 0.000 0.994 349 E CA 1.004 57.249 56.400 -0.257 0.000 0.801 349 E CB -0.468 29.024 29.700 -0.346 0.000 0.743 349 E HN 0.311 nan 8.360 nan 0.000 0.453 350 F N 1.564 121.444 119.950 -0.116 0.000 2.069 350 F HA -0.202 4.326 4.527 0.000 0.000 0.298 350 F C 2.201 177.977 175.800 -0.039 0.000 1.113 350 F CA 1.435 59.398 58.000 -0.061 0.000 1.214 350 F CB -0.385 38.587 39.000 -0.047 0.000 0.978 350 F HN -0.082 nan 8.300 nan 0.000 0.474 351 L N -0.212 120.948 121.223 -0.105 0.000 2.156 351 L HA -0.162 4.178 4.340 0.001 0.000 0.208 351 L C 2.543 179.338 176.870 -0.125 0.000 1.095 351 L CA 1.388 56.111 54.840 -0.195 0.000 0.770 351 L CB -0.869 41.171 42.059 -0.032 0.000 0.914 351 L HN 0.319 nan 8.230 nan 0.000 0.439 352 Q N 0.447 120.223 119.800 -0.041 0.000 2.050 352 Q HA -0.235 4.106 4.340 0.001 0.000 0.202 352 Q C 1.592 177.659 176.000 0.111 0.000 0.980 352 Q CA 1.917 57.767 55.803 0.079 0.000 0.840 352 Q CB 0.127 28.898 28.738 0.054 0.000 0.898 352 Q HN 0.417 nan 8.270 nan 0.000 0.424 353 D N 0.310 120.705 120.400 -0.007 0.000 2.178 353 D HA -0.111 4.529 4.640 0.001 0.000 0.202 353 D C 1.888 178.162 176.300 -0.043 0.000 0.974 353 D CA 0.940 54.938 54.000 -0.003 0.000 0.841 353 D CB -0.075 40.698 40.800 -0.046 0.000 0.953 353 D HN 0.379 nan 8.370 nan 0.000 0.478 354 I N 1.052 121.523 120.570 -0.165 0.000 2.163 354 I HA -0.219 3.952 4.170 0.001 0.000 0.240 354 I C 2.503 178.545 176.117 -0.126 0.000 1.081 354 I CA 0.949 62.133 61.300 -0.192 0.000 1.353 354 I CB -0.234 37.565 38.000 -0.335 0.000 1.054 354 I HN -0.082 nan 8.210 nan 0.000 0.407 355 A N 0.745 123.479 122.820 -0.143 0.000 1.883 355 A HA -0.218 4.102 4.320 0.001 0.000 0.217 355 A C 2.058 179.478 177.584 -0.274 0.000 1.186 355 A CA 1.687 53.589 52.037 -0.225 0.000 0.624 355 A CB -1.041 17.779 19.000 -0.299 0.000 0.822 355 A HN 0.362 nan 8.150 nan 0.000 0.444 356 F N -0.225 119.694 119.950 -0.052 0.000 2.502 356 F HA -0.032 4.495 4.527 0.001 0.000 0.298 356 F C 1.979 177.820 175.800 0.068 0.000 1.111 356 F CA 1.256 59.244 58.000 -0.021 0.000 1.445 356 F CB -0.207 38.766 39.000 -0.046 0.000 1.081 356 F HN 0.332 nan 8.300 nan 0.000 0.558 357 D N -0.152 120.361 120.400 0.188 0.000 2.123 357 D HA -0.148 4.492 4.640 0.001 0.000 0.200 357 D C 1.935 178.340 176.300 0.176 0.000 0.976 357 D CA 1.243 55.375 54.000 0.221 0.000 0.831 357 D CB -0.108 40.724 40.800 0.053 0.000 0.974 357 D HN -0.029 nan 8.370 nan 0.000 0.469 358 N N 0.009 118.727 118.700 0.032 0.000 2.270 358 N HA -0.057 4.683 4.740 0.001 0.000 0.181 358 N C 1.988 177.467 175.510 -0.051 0.000 1.016 358 N CA 0.464 53.504 53.050 -0.017 0.000 0.870 358 N CB -0.043 38.398 38.487 -0.076 0.000 0.979 358 N HN 0.360 nan 8.380 nan 0.000 0.431 359 I N 0.634 121.148 120.570 -0.094 0.000 2.252 359 I HA -0.149 4.021 4.170 0.001 0.000 0.245 359 I C 2.418 178.494 176.117 -0.069 0.000 1.102 359 I CA 1.134 62.335 61.300 -0.164 0.000 1.385 359 I CB -0.539 37.323 38.000 -0.229 0.000 1.064 359 I HN 0.122 nan 8.210 nan 0.000 0.414 360 G N 0.846 109.674 108.800 0.047 0.000 2.421 360 G HA2 -0.230 3.731 3.960 0.001 0.000 0.216 360 G HA3 -0.230 3.731 3.960 0.001 0.000 0.216 360 G C 1.733 176.630 174.900 -0.004 0.000 1.171 360 G CA 0.576 45.625 45.100 -0.085 0.000 0.775 360 G HN 0.302 nan 8.290 nan 0.000 0.543 361 K N 0.563 121.057 120.400 0.157 0.000 2.057 361 K HA 0.043 4.364 4.320 0.001 0.000 0.207 361 K C 2.949 179.587 176.600 0.064 0.000 1.049 361 K CA 0.961 57.341 56.287 0.155 0.000 0.931 361 K CB -0.225 32.355 32.500 0.133 0.000 0.714 361 K HN 0.267 nan 8.250 nan 0.000 0.440 362 A N 1.429 124.230 122.820 -0.032 0.000 1.902 362 A HA -0.208 4.112 4.320 0.001 0.000 0.217 362 A C 1.878 179.386 177.584 -0.126 0.000 1.181 362 A CA 1.436 53.407 52.037 -0.109 0.000 0.623 362 A CB -0.696 18.174 19.000 -0.218 0.000 0.818 362 A HN 0.276 nan 8.150 nan 0.000 0.443 363 H N -0.254 118.742 119.070 -0.124 0.000 2.321 363 H HA -0.056 4.500 4.556 0.000 0.000 0.300 363 H C 2.121 177.416 175.328 -0.055 0.000 1.087 363 H CA 1.811 57.749 56.048 -0.183 0.000 1.319 363 H CB -0.386 29.198 29.762 -0.296 0.000 1.379 363 H HN 0.432 nan 8.280 nan 0.000 0.501 364 L N 0.545 121.850 121.223 0.137 0.000 2.056 364 L HA -0.152 4.189 4.340 0.001 0.000 0.207 364 L C 2.415 179.401 176.870 0.192 0.000 1.078 364 L CA 1.215 56.155 54.840 0.166 0.000 0.749 364 L CB -0.298 41.878 42.059 0.196 0.000 0.901 364 L HN 0.246 nan 8.230 nan 0.000 0.433 365 E N -0.695 119.622 120.200 0.194 0.000 2.150 365 E HA -0.156 4.195 4.350 0.001 0.000 0.193 365 E C 2.071 178.683 176.600 0.020 0.000 0.985 365 E CA 1.547 58.055 56.400 0.181 0.000 0.814 365 E CB -0.066 29.739 29.700 0.175 0.000 0.752 365 E HN 0.429 nan 8.360 nan 0.000 0.466 366 T N 0.052 114.610 114.554 0.008 0.000 2.812 366 T HA -0.083 4.267 4.350 0.001 0.000 0.264 366 T C 1.929 176.606 174.700 -0.039 0.000 1.042 366 T CA 1.108 63.191 62.100 -0.028 0.000 1.140 366 T CB -0.407 68.438 68.868 -0.038 0.000 0.870 366 T HN 0.363 nan 8.240 nan 0.000 0.445 367 G N 1.575 110.374 108.800 -0.003 0.000 2.422 367 G HA2 -0.232 3.728 3.960 0.001 0.000 0.218 367 G HA3 -0.232 3.728 3.960 0.001 0.000 0.218 367 G C 1.605 176.455 174.900 -0.082 0.000 1.146 367 G CA 1.204 46.298 45.100 -0.010 0.000 0.769 367 G HN 0.392 nan 8.290 nan 0.000 0.547 368 K N 1.252 121.561 120.400 -0.151 0.000 2.025 368 K HA 0.184 4.505 4.320 0.001 0.000 0.207 368 K C 2.666 179.095 176.600 -0.285 0.000 1.049 368 K CA 1.550 57.635 56.287 -0.337 0.000 0.933 368 K CB -0.739 31.243 32.500 -0.863 0.000 0.714 368 K HN 0.141 nan 8.250 nan 0.000 0.438 369 A N 0.632 123.318 122.820 -0.223 0.000 1.908 369 A HA -0.174 4.146 4.320 0.001 0.000 0.218 369 A C 2.234 179.659 177.584 -0.266 0.000 1.181 369 A CA 2.084 53.996 52.037 -0.209 0.000 0.627 369 A CB -0.573 18.356 19.000 -0.117 0.000 0.818 369 A HN 0.428 nan 8.150 nan 0.000 0.445 370 M N -0.930 118.558 119.600 -0.187 0.000 2.086 370 M HA -0.181 4.299 4.480 0.001 0.000 0.261 370 M C 2.053 178.245 176.300 -0.181 0.000 1.067 370 M CA 1.770 56.968 55.300 -0.169 0.000 1.116 370 M CB -0.472 32.069 32.600 -0.098 0.000 1.348 370 M HN 0.457 nan 8.290 nan 0.000 0.407 371 E N 0.368 120.473 120.200 -0.158 0.000 2.160 371 E HA -0.183 4.168 4.350 0.001 0.000 0.195 371 E C 1.868 178.371 176.600 -0.162 0.000 0.991 371 E CA 1.076 57.397 56.400 -0.133 0.000 0.810 371 E CB -0.229 29.403 29.700 -0.113 0.000 0.742 371 E HN 0.534 nan 8.360 nan 0.000 0.466 372 L N -1.014 120.068 121.223 -0.236 0.000 2.478 372 L HA 0.059 4.399 4.340 0.001 0.000 0.223 372 L C 1.552 178.174 176.870 -0.413 0.000 1.140 372 L CA 0.628 55.311 54.840 -0.261 0.000 0.842 372 L CB 0.195 42.109 42.059 -0.241 0.000 0.953 372 L HN 0.323 nan 8.230 nan 0.000 0.452 373 G N -0.754 107.763 108.800 -0.472 0.000 2.205 373 G HA2 -0.166 3.794 3.960 0.001 0.000 0.180 373 G HA3 -0.166 3.794 3.960 0.001 0.000 0.180 373 G C 0.389 174.956 174.900 -0.555 0.000 1.004 373 G CA -0.256 44.586 45.100 -0.430 0.000 0.670 373 G HN 0.390 nan 8.290 nan 0.000 0.496 374 A N 1.201 123.550 122.820 -0.785 0.000 2.567 374 A HA 0.553 4.873 4.320 0.001 0.000 0.240 374 A C 1.148 178.641 177.584 -0.152 0.000 1.053 374 A CA 1.522 53.308 52.037 -0.419 0.000 0.755 374 A CB -0.030 18.805 19.000 -0.274 0.000 0.978 374 A HN 1.830 nan 8.150 nan 0.000 0.507 375 T N 0.018 114.554 114.554 -0.029 0.000 2.874 375 T HA 0.296 4.647 4.350 0.001 0.000 0.281 375 T C 0.477 175.163 174.700 -0.024 0.000 0.994 375 T CA -0.149 61.940 62.100 -0.019 0.000 1.015 375 T CB 0.832 69.708 68.868 0.014 0.000 1.028 375 T HN 0.530 nan 8.240 nan 0.000 0.523 376 D N 1.006 121.388 120.400 -0.030 0.000 2.149 376 D HA -0.072 4.568 4.640 0.001 0.000 0.198 376 D C 2.317 178.599 176.300 -0.030 0.000 0.990 376 D CA 1.635 55.613 54.000 -0.036 0.000 0.839 376 D CB -0.700 40.077 40.800 -0.039 0.000 0.948 376 D HN 0.757 nan 8.370 nan 0.000 0.460 377 A N 1.081 123.889 122.820 -0.019 0.000 1.902 377 A HA -0.203 4.118 4.320 0.001 0.000 0.217 377 A C 2.021 179.600 177.584 -0.008 0.000 1.181 377 A CA 1.384 53.411 52.037 -0.015 0.000 0.623 377 A CB -0.497 18.499 19.000 -0.007 0.000 0.818 377 A HN 0.220 nan 8.150 nan 0.000 0.443 378 E N -0.548 119.657 120.200 0.009 0.000 2.274 378 E HA -0.023 4.327 4.350 0.001 0.000 0.194 378 E C 1.220 177.826 176.600 0.011 0.000 0.996 378 E CA 0.709 57.124 56.400 0.026 0.000 0.840 378 E CB -0.119 29.625 29.700 0.073 0.000 0.772 378 E HN 0.624 nan 8.360 nan 0.000 0.491 379 L N 0.247 121.463 121.223 -0.011 0.000 2.693 379 L HA 0.129 4.470 4.340 0.001 0.000 0.235 379 L C 2.129 178.969 176.870 -0.050 0.000 1.127 379 L CA -0.081 54.742 54.840 -0.027 0.000 0.914 379 L CB 0.097 42.132 42.059 -0.040 0.000 1.193 379 L HN -0.032 nan 8.230 nan 0.000 0.502 380 K N 1.265 121.633 120.400 -0.054 0.000 2.009 380 K HA -0.231 4.090 4.320 0.001 0.000 0.210 380 K C 1.740 178.273 176.600 -0.111 0.000 1.049 380 K CA 1.824 58.063 56.287 -0.081 0.000 0.929 380 K CB 0.115 32.573 32.500 -0.070 0.000 0.714 380 K HN 0.313 nan 8.250 nan 0.000 0.440 381 E N 0.352 120.497 120.200 -0.092 0.000 2.051 381 E HA -0.189 4.162 4.350 0.001 0.000 0.192 381 E C 2.120 178.641 176.600 -0.130 0.000 0.991 381 E CA 1.451 57.766 56.400 -0.142 0.000 0.799 381 E CB -0.110 29.557 29.700 -0.055 0.000 0.748 381 E HN 0.344 nan 8.360 nan 0.000 0.449 382 I N 0.725 121.294 120.570 -0.001 0.000 2.163 382 I HA -0.315 3.855 4.170 0.001 0.000 0.243 382 I C 2.496 178.585 176.117 -0.045 0.000 1.085 382 I CA 1.288 62.620 61.300 0.052 0.000 1.347 382 I CB -0.179 37.826 38.000 0.009 0.000 1.044 382 I HN 0.030 nan 8.210 nan 0.000 0.408 383 R N -0.216 120.219 120.500 -0.108 0.000 2.120 383 R HA -0.116 4.224 4.340 0.001 0.000 0.234 383 R C 2.277 178.443 176.300 -0.224 0.000 1.123 383 R CA 1.772 57.777 56.100 -0.158 0.000 0.975 383 R CB -0.479 29.734 30.300 -0.145 0.000 0.866 383 R HN 0.349 nan 8.270 nan 0.000 0.446 384 T N -0.046 114.344 114.554 -0.273 0.000 2.777 384 T HA -0.118 4.232 4.350 0.001 0.000 0.266 384 T C 1.469 175.913 174.700 -0.427 0.000 1.040 384 T CA 1.076 62.923 62.100 -0.421 0.000 1.141 384 T CB -0.217 68.401 68.868 -0.417 0.000 0.868 384 T HN 0.324 nan 8.240 nan 0.000 0.444 385 H N 0.775 119.737 119.070 -0.180 0.000 2.321 385 H HA 0.047 4.603 4.556 0.001 0.000 0.300 385 H C 2.395 177.641 175.328 -0.137 0.000 1.087 385 H CA 1.118 57.103 56.048 -0.105 0.000 1.319 385 H CB -0.522 29.189 29.762 -0.084 0.000 1.379 385 H HN 0.344 nan 8.280 nan 0.000 0.501 386 I N 0.511 121.035 120.570 -0.076 0.000 2.179 386 I HA -0.276 3.895 4.170 0.001 0.000 0.242 386 I C 2.910 178.928 176.117 -0.165 0.000 1.088 386 I CA 1.167 62.347 61.300 -0.200 0.000 1.357 386 I CB -0.263 37.527 38.000 -0.351 0.000 1.051 386 I HN 0.135 nan 8.210 nan 0.000 0.409 387 R N 0.622 121.004 120.500 -0.196 0.000 2.083 387 R HA -0.220 4.120 4.340 0.001 0.000 0.237 387 R C 2.257 178.564 176.300 0.012 0.000 1.137 387 R CA 2.048 58.045 56.100 -0.172 0.000 0.951 387 R CB -0.452 29.659 30.300 -0.316 0.000 0.851 387 R HN 0.485 nan 8.270 nan 0.000 0.434 388 H N -0.757 118.321 119.070 0.014 0.000 2.395 388 H HA 0.020 4.576 4.556 0.001 0.000 0.299 388 H C 2.128 177.510 175.328 0.091 0.000 1.070 388 H CA 0.704 56.809 56.048 0.094 0.000 1.356 388 H CB 0.082 29.882 29.762 0.064 0.000 1.401 388 H HN 0.441 nan 8.280 nan 0.000 0.524 389 A N 0.905 123.802 122.820 0.129 0.000 1.877 389 A HA -0.265 4.055 4.320 0.001 0.000 0.216 389 A C 2.190 179.741 177.584 -0.055 0.000 1.186 389 A CA 1.891 53.927 52.037 -0.001 0.000 0.620 389 A CB -0.591 18.357 19.000 -0.087 0.000 0.822 389 A HN 0.452 nan 8.150 nan 0.000 0.443 390 Q N -1.572 118.213 119.800 -0.025 0.000 2.172 390 Q HA -0.148 4.192 4.340 0.001 0.000 0.200 390 Q C 1.967 178.048 176.000 0.135 0.000 0.964 390 Q CA 1.152 56.956 55.803 0.001 0.000 0.855 390 Q CB -0.255 28.544 28.738 0.102 0.000 0.918 390 Q HN 0.875 nan 8.270 nan 0.000 0.444 391 W N 1.329 122.649 121.300 0.033 0.000 2.355 391 W HA -0.216 4.444 4.660 0.001 0.000 0.309 391 W C 1.459 178.019 176.519 0.068 0.000 1.206 391 W CA 1.376 58.760 57.345 0.064 0.000 1.284 391 W CB -0.021 29.488 29.460 0.082 0.000 1.145 391 W HN 0.131 nan 8.180 nan 0.000 0.502 392 R N 0.283 120.736 120.500 -0.078 0.000 2.075 392 R HA -0.095 4.245 4.340 0.001 0.000 0.232 392 R C 2.588 178.775 176.300 -0.187 0.000 1.126 392 R CA 1.700 57.682 56.100 -0.196 0.000 0.963 392 R CB -0.904 29.372 30.300 -0.040 0.000 0.858 392 R HN 0.141 nan 8.270 nan 0.000 0.435 393 A N 1.102 123.830 122.820 -0.154 0.000 1.930 393 A HA -0.188 4.132 4.320 0.001 0.000 0.217 393 A C 1.771 179.405 177.584 0.083 0.000 1.175 393 A CA 1.646 53.598 52.037 -0.142 0.000 0.627 393 A CB -0.374 18.302 19.000 -0.541 0.000 0.815 393 A HN 0.176 nan 8.150 nan 0.000 0.443 394 D N -0.883 119.585 120.400 0.113 0.000 2.117 394 D HA -0.113 4.527 4.640 0.001 0.000 0.198 394 D C 1.916 178.182 176.300 -0.056 0.000 0.982 394 D CA 1.012 55.127 54.000 0.193 0.000 0.828 394 D CB -0.178 40.759 40.800 0.229 0.000 0.967 394 D HN 0.203 nan 8.370 nan 0.000 0.464 395 M N 0.191 119.599 119.600 -0.319 0.000 2.213 395 M HA -0.062 4.419 4.480 0.001 0.000 0.263 395 M C 2.135 178.355 176.300 -0.133 0.000 1.062 395 M CA 0.846 55.923 55.300 -0.372 0.000 1.105 395 M CB -0.893 31.318 32.600 -0.649 0.000 1.385 395 M HN 0.059 nan 8.290 nan 0.000 0.417 396 A N 0.271 123.045 122.820 -0.075 0.000 1.929 396 A HA -0.077 4.243 4.320 0.001 0.000 0.216 396 A C 1.962 179.583 177.584 0.061 0.000 1.176 396 A CA 1.327 53.367 52.037 0.005 0.000 0.628 396 A CB -0.599 18.408 19.000 0.010 0.000 0.816 396 A HN 0.633 nan 8.150 nan 0.000 0.444 397 I N -4.633 115.985 120.570 0.081 0.000 3.854 397 I HA 0.386 4.556 4.170 0.001 0.000 0.312 397 I C 2.041 178.155 176.117 -0.003 0.000 1.273 397 I CA 0.815 62.154 61.300 0.064 0.000 1.298 397 I CB 0.033 38.084 38.000 0.086 0.000 1.071 397 I HN 0.083 nan 8.210 nan 0.000 0.428 398 A N 1.856 124.697 122.820 0.034 0.000 2.019 398 A HA 0.152 4.473 4.320 0.001 0.000 0.219 398 A C 1.690 179.341 177.584 0.112 0.000 1.164 398 A CA 1.126 53.195 52.037 0.053 0.000 0.644 398 A CB -1.211 17.794 19.000 0.008 0.000 0.805 398 A HN 0.550 nan 8.150 nan 0.000 0.449 399 G N -1.518 107.364 108.800 0.137 0.000 2.393 399 G HA2 0.407 4.368 3.960 0.001 0.000 0.311 399 G HA3 0.407 4.368 3.960 0.001 0.000 0.311 399 G C 0.370 175.403 174.900 0.223 0.000 1.067 399 G CA -0.328 44.933 45.100 0.268 0.000 1.000 399 G HN 0.465 nan 8.290 nan 0.000 0.422 400 H N 2.532 121.807 119.070 0.341 0.000 2.518 400 H HA -0.078 4.478 4.556 0.000 0.000 0.289 400 H C 2.229 177.788 175.328 0.384 0.000 1.051 400 H CA 1.331 57.584 56.048 0.341 0.000 1.280 400 H CB 0.605 30.538 29.762 0.285 0.000 1.380 400 H HN 0.614 nan 8.280 nan 0.000 0.566 401 G N -0.936 108.050 108.800 0.311 0.000 3.044 401 G HA2 -0.047 3.913 3.960 0.001 0.000 0.223 401 G HA3 -0.047 3.913 3.960 0.001 0.000 0.223 401 G C 1.573 176.181 174.900 -0.487 0.000 1.123 401 G CA -0.032 44.995 45.100 -0.121 0.000 0.765 401 G HN 0.176 nan 8.290 nan 0.000 0.546 402 S N 1.248 116.959 115.700 0.018 0.000 2.402 402 S HA -0.194 4.277 4.470 0.001 0.000 0.233 402 S C 1.944 176.568 174.600 0.041 0.000 1.030 402 S CA 1.559 59.814 58.200 0.091 0.000 1.003 402 S CB -0.451 62.860 63.200 0.185 0.000 0.813 402 S HN 0.686 nan 8.310 nan 0.000 0.477 403 F N 0.570 120.578 119.950 0.096 0.000 2.307 403 F HA -0.006 4.522 4.527 0.001 0.000 0.301 403 F C 1.702 177.597 175.800 0.157 0.000 1.076 403 F CA 0.753 58.829 58.000 0.127 0.000 1.383 403 F CB -0.601 38.515 39.000 0.193 0.000 1.055 403 F HN 0.243 nan 8.300 nan 0.000 0.526 404 F N 0.411 119.761 119.950 -1.000 0.000 2.514 404 F HA 0.192 4.720 4.527 0.001 0.000 0.281 404 F C 2.357 178.033 175.800 -0.207 0.000 1.060 404 F CA 0.573 58.154 58.000 -0.697 0.000 1.397 404 F CB -0.713 37.710 39.000 -0.961 0.000 1.129 404 F HN -0.038 nan 8.300 nan 0.000 0.620 405 H N 0.099 119.064 119.070 -0.174 0.000 2.353 405 H HA 0.178 4.735 4.556 0.001 0.000 0.300 405 H C 0.625 175.867 175.328 -0.143 0.000 1.090 405 H CA 0.706 56.700 56.048 -0.090 0.000 1.327 405 H CB -0.027 29.816 29.762 0.134 0.000 1.383 405 H HN 0.217 nan 8.280 nan 0.000 0.508 406 A N -0.060 122.765 122.820 0.008 0.000 3.409 406 A HA 0.253 4.573 4.320 0.001 0.000 0.282 406 A C -2.128 175.439 177.584 -0.029 0.000 1.064 406 A CA -1.045 50.970 52.037 -0.036 0.000 0.889 406 A CB 0.415 19.407 19.000 -0.012 0.000 1.251 406 A HN 0.003 nan 8.150 nan 0.000 0.538 407 P HA -0.220 nan 4.420 nan 0.000 0.214 407 P C 1.287 178.595 177.300 0.013 0.000 1.163 407 P CA 1.685 64.787 63.100 0.002 0.000 0.889 407 P CB 0.319 32.010 31.700 -0.016 0.000 0.790 408 E N -0.817 119.373 120.200 -0.016 0.000 2.110 408 E HA -0.227 4.123 4.350 0.001 0.000 0.193 408 E C 2.058 178.652 176.600 -0.010 0.000 0.988 408 E CA 1.024 57.417 56.400 -0.012 0.000 0.804 408 E CB -0.307 29.375 29.700 -0.030 0.000 0.745 408 E HN 0.255 nan 8.360 nan 0.000 0.458 409 E N 0.528 120.717 120.200 -0.019 0.000 2.107 409 E HA -0.123 4.227 4.350 0.001 0.000 0.191 409 E C 1.906 178.505 176.600 -0.002 0.000 0.982 409 E CA 0.697 57.087 56.400 -0.018 0.000 0.809 409 E CB -0.013 29.669 29.700 -0.030 0.000 0.756 409 E HN 0.019 nan 8.360 nan 0.000 0.459 410 V N 0.783 120.708 119.914 0.018 0.000 2.295 410 V HA -0.249 3.871 4.120 0.001 0.000 0.246 410 V C 2.415 178.528 176.094 0.031 0.000 1.049 410 V CA 1.732 64.055 62.300 0.038 0.000 1.024 410 V CB -0.474 31.399 31.823 0.083 0.000 0.648 410 V HN 0.336 nan 8.190 nan 0.000 0.447 411 L N -0.508 120.736 121.223 0.035 0.000 2.046 411 L HA -0.181 4.159 4.340 0.001 0.000 0.208 411 L C 2.722 179.600 176.870 0.013 0.000 1.077 411 L CA 1.810 56.670 54.840 0.034 0.000 0.747 411 L CB -0.687 41.398 42.059 0.044 0.000 0.896 411 L HN 0.262 nan 8.230 nan 0.000 0.432 412 R N 0.664 121.167 120.500 0.004 0.000 2.081 412 R HA -0.149 4.191 4.340 0.001 0.000 0.235 412 R C 2.344 178.635 176.300 -0.016 0.000 1.131 412 R CA 1.261 57.358 56.100 -0.006 0.000 0.960 412 R CB -0.157 30.137 30.300 -0.011 0.000 0.856 412 R HN 0.320 nan 8.270 nan 0.000 0.436 413 L N 0.532 121.743 121.223 -0.019 0.000 2.046 413 L HA -0.182 4.158 4.340 0.001 0.000 0.208 413 L C 2.376 179.218 176.870 -0.047 0.000 1.077 413 L CA 1.067 55.887 54.840 -0.034 0.000 0.747 413 L CB -0.276 41.757 42.059 -0.043 0.000 0.896 413 L HN 0.266 nan 8.230 nan 0.000 0.432 414 L N -0.736 120.465 121.223 -0.036 0.000 2.141 414 L HA -0.139 4.201 4.340 0.001 0.000 0.209 414 L C 2.782 179.608 176.870 -0.073 0.000 1.094 414 L CA 0.908 55.714 54.840 -0.058 0.000 0.763 414 L CB -0.583 41.460 42.059 -0.028 0.000 0.908 414 L HN 0.224 nan 8.230 nan 0.000 0.437 415 A N -1.103 121.690 122.820 -0.046 0.000 1.897 415 A HA -0.187 4.134 4.320 0.001 0.000 0.215 415 A C 2.528 180.082 177.584 -0.050 0.000 1.181 415 A CA 1.804 53.814 52.037 -0.045 0.000 0.620 415 A CB -0.545 18.443 19.000 -0.019 0.000 0.821 415 A HN 0.328 nan 8.150 nan 0.000 0.443 416 S N -0.492 115.183 115.700 -0.042 0.000 2.355 416 S HA -0.020 4.450 4.470 0.001 0.000 0.222 416 S C 2.063 176.636 174.600 -0.045 0.000 1.031 416 S CA 1.723 59.902 58.200 -0.034 0.000 0.993 416 S CB -0.676 62.512 63.200 -0.021 0.000 0.859 416 S HN 0.659 nan 8.310 nan 0.000 0.453 417 G N 1.119 109.878 108.800 -0.069 0.000 2.418 417 G HA2 -0.256 3.705 3.960 0.001 0.000 0.217 417 G HA3 -0.256 3.705 3.960 0.001 0.000 0.217 417 G C 1.431 176.253 174.900 -0.130 0.000 1.158 417 G CA 1.122 46.163 45.100 -0.098 0.000 0.771 417 G HN 0.615 nan 8.290 nan 0.000 0.545 418 N N 0.520 119.137 118.700 -0.139 0.000 2.166 418 N HA -0.107 4.633 4.740 0.001 0.000 0.186 418 N C 2.055 177.497 175.510 -0.113 0.000 1.019 418 N CA 1.590 54.554 53.050 -0.143 0.000 0.856 418 N CB -0.234 38.172 38.487 -0.135 0.000 0.993 418 N HN 0.307 nan 8.380 nan 0.000 0.426 419 E N 0.797 120.945 120.200 -0.087 0.000 2.077 419 E HA -0.159 4.191 4.350 0.001 0.000 0.193 419 E C 1.572 178.115 176.600 -0.094 0.000 0.989 419 E CA 1.307 57.660 56.400 -0.079 0.000 0.800 419 E CB -0.294 29.373 29.700 -0.053 0.000 0.746 419 E HN 0.306 nan 8.360 nan 0.000 0.452 420 E N 0.061 120.223 120.200 -0.065 0.000 2.110 420 E HA -0.142 4.208 4.350 0.001 0.000 0.193 420 E C 1.966 178.499 176.600 -0.112 0.000 0.988 420 E CA 1.146 57.521 56.400 -0.041 0.000 0.804 420 E CB -0.441 29.301 29.700 0.070 0.000 0.745 420 E HN 0.395 nan 8.360 nan 0.000 0.458 421 A N 1.303 124.051 122.820 -0.120 0.000 1.898 421 A HA -0.182 4.138 4.320 0.001 0.000 0.216 421 A C 2.099 179.594 177.584 -0.149 0.000 1.181 421 A CA 1.149 53.097 52.037 -0.148 0.000 0.620 421 A CB -0.291 18.607 19.000 -0.169 0.000 0.819 421 A HN 0.105 nan 8.150 nan 0.000 0.442 422 Q N -0.058 119.658 119.800 -0.140 0.000 2.167 422 Q HA -0.101 4.240 4.340 0.001 0.000 0.202 422 Q C 1.865 177.767 176.000 -0.163 0.000 0.970 422 Q CA 1.322 57.049 55.803 -0.126 0.000 0.855 422 Q CB -0.264 28.412 28.738 -0.103 0.000 0.911 422 Q HN 0.702 nan 8.270 nan 0.000 0.438 423 K N 0.379 120.633 120.400 -0.245 0.000 2.097 423 K HA -0.053 4.267 4.320 0.001 0.000 0.205 423 K C 2.075 178.438 176.600 -0.394 0.000 1.050 423 K CA 1.053 57.116 56.287 -0.374 0.000 0.938 423 K CB -0.064 32.054 32.500 -0.637 0.000 0.718 423 K HN 0.107 nan 8.250 nan 0.000 0.442 424 A N 1.653 124.267 122.820 -0.343 0.000 1.898 424 A HA -0.154 4.167 4.320 0.001 0.000 0.216 424 A C 2.032 179.559 177.584 -0.096 0.000 1.181 424 A CA 1.188 53.135 52.037 -0.150 0.000 0.620 424 A CB -0.333 18.617 19.000 -0.083 0.000 0.819 424 A HN 0.196 nan 8.150 nan 0.000 0.442 425 R N -0.607 119.832 120.500 -0.101 0.000 2.092 425 R HA 0.001 4.341 4.340 0.001 0.000 0.231 425 R C 1.951 178.225 176.300 -0.043 0.000 1.119 425 R CA 1.398 57.464 56.100 -0.058 0.000 0.970 425 R CB -0.471 29.798 30.300 -0.053 0.000 0.864 425 R HN 0.557 nan 8.270 nan 0.000 0.440 426 I N 1.052 121.583 120.570 -0.065 0.000 2.226 426 I HA -0.280 3.890 4.170 0.001 0.000 0.245 426 I C 2.076 178.175 176.117 -0.030 0.000 1.100 426 I CA 1.468 62.739 61.300 -0.048 0.000 1.374 426 I CB -0.137 37.825 38.000 -0.063 0.000 1.057 426 I HN 0.129 nan 8.210 nan 0.000 0.413 427 K N 0.533 120.912 120.400 -0.036 0.000 2.155 427 K HA -0.078 4.243 4.320 0.001 0.000 0.203 427 K C 2.064 178.669 176.600 0.008 0.000 1.052 427 K CA 1.039 57.323 56.287 -0.006 0.000 0.948 427 K CB -0.073 32.436 32.500 0.015 0.000 0.728 427 K HN 0.271 nan 8.250 nan 0.000 0.448 428 L N 0.664 121.889 121.223 0.004 0.000 2.141 428 L HA -0.168 4.172 4.340 0.001 0.000 0.209 428 L C 2.176 179.067 176.870 0.036 0.000 1.094 428 L CA 0.650 55.502 54.840 0.020 0.000 0.763 428 L CB -0.292 41.776 42.059 0.015 0.000 0.908 428 L HN -0.021 nan 8.230 nan 0.000 0.437 429 V N -0.058 119.873 119.914 0.028 0.000 2.343 429 V HA -0.305 3.816 4.120 0.001 0.000 0.247 429 V C 2.396 178.511 176.094 0.034 0.000 1.051 429 V CA 1.790 64.112 62.300 0.037 0.000 1.036 429 V CB -0.530 31.305 31.823 0.021 0.000 0.654 429 V HN 0.460 nan 8.190 nan 0.000 0.451 430 K N -0.349 120.064 120.400 0.023 0.000 2.103 430 K HA -0.072 4.249 4.320 0.001 0.000 0.204 430 K C 2.066 178.683 176.600 0.028 0.000 1.052 430 K CA 1.150 57.447 56.287 0.016 0.000 0.945 430 K CB -0.320 32.184 32.500 0.007 0.000 0.722 430 K HN 0.337 nan 8.250 nan 0.000 0.443 431 V N 2.030 121.976 119.914 0.053 0.000 2.307 431 V HA -0.213 3.907 4.120 0.001 0.000 0.245 431 V C 2.234 178.428 176.094 0.165 0.000 1.045 431 V CA 1.505 63.870 62.300 0.109 0.000 1.024 431 V CB -0.424 31.463 31.823 0.107 0.000 0.651 431 V HN 0.252 nan 8.190 nan 0.000 0.449 432 L N 0.166 121.454 121.223 0.109 0.000 2.046 432 L HA -0.177 4.164 4.340 0.001 0.000 0.208 432 L C 2.743 179.672 176.870 0.099 0.000 1.077 432 L CA 1.613 56.517 54.840 0.107 0.000 0.747 432 L CB -0.802 41.305 42.059 0.080 0.000 0.896 432 L HN 0.368 nan 8.230 nan 0.000 0.432 433 A N 0.157 123.012 122.820 0.058 0.000 1.902 433 A HA -0.271 4.049 4.320 0.001 0.000 0.217 433 A C 2.390 179.963 177.584 -0.020 0.000 1.181 433 A CA 2.031 54.082 52.037 0.024 0.000 0.623 433 A CB -0.492 18.514 19.000 0.009 0.000 0.818 433 A HN 0.372 nan 8.150 nan 0.000 0.443 434 K N -1.689 118.673 120.400 -0.063 0.000 2.103 434 K HA -0.171 4.149 4.320 0.001 0.000 0.207 434 K C 0.798 177.175 176.600 -0.373 0.000 1.048 434 K CA 1.604 57.750 56.287 -0.234 0.000 0.930 434 K CB -0.268 32.033 32.500 -0.331 0.000 0.716 434 K HN 0.546 nan 8.250 nan 0.000 0.444 435 Y N -0.151 120.139 120.300 -0.017 0.000 2.532 435 Y HA 0.239 4.789 4.550 0.000 0.000 0.283 435 Y C 1.099 176.989 175.900 -0.017 0.000 1.181 435 Y CA 0.296 58.384 58.100 -0.021 0.000 1.256 435 Y CB 0.806 39.245 38.460 -0.035 0.000 1.112 435 Y HN 0.333 nan 8.280 nan 0.000 0.521 436 G N 0.326 109.162 108.800 0.059 0.000 2.143 436 G HA2 -0.230 3.730 3.960 0.001 0.000 0.248 436 G HA3 -0.230 3.730 3.960 0.001 0.000 0.248 436 G C 0.500 175.437 174.900 0.062 0.000 0.991 436 G CA 0.280 45.408 45.100 0.048 0.000 0.689 436 G HN 0.602 nan 8.290 nan 0.000 0.522 437 A N -0.398 122.468 122.820 0.076 0.000 2.855 437 A HA 0.702 5.023 4.320 0.001 0.000 0.301 437 A C 1.388 179.040 177.584 0.113 0.000 1.076 437 A CA 0.503 52.593 52.037 0.088 0.000 1.004 437 A CB -0.041 18.988 19.000 0.048 0.000 1.152 437 A HN 0.854 nan 8.150 nan 0.000 0.531 438 I N -0.630 119.990 120.570 0.084 0.000 2.454 438 I HA -0.171 3.999 4.170 0.001 0.000 0.254 438 I C 0.600 176.771 176.117 0.090 0.000 1.156 438 I CA 1.400 62.746 61.300 0.077 0.000 1.433 438 I CB 0.236 38.263 38.000 0.045 0.000 1.082 438 I HN 0.307 nan 8.210 nan 0.000 0.432 439 D N -0.152 120.303 120.400 0.092 0.000 2.325 439 D HA -0.042 4.598 4.640 0.001 0.000 0.225 439 D C 0.013 176.375 176.300 0.103 0.000 1.096 439 D CA -0.047 53.998 54.000 0.075 0.000 0.844 439 D CB -0.172 40.658 40.800 0.050 0.000 0.925 439 D HN 0.297 nan 8.370 nan 0.000 0.513 440 Y N 1.612 121.925 120.300 0.022 0.000 2.610 440 Y HA 0.090 4.640 4.550 0.001 0.000 0.332 440 Y C -0.341 175.574 175.900 0.025 0.000 1.201 440 Y CA -0.051 58.064 58.100 0.025 0.000 1.465 440 Y CB 0.586 39.063 38.460 0.029 0.000 1.283 440 Y HN -0.309 nan 8.280 nan 0.000 0.563 441 V N 7.336 126.849 119.914 -0.668 0.000 2.350 441 V HA 0.523 4.644 4.120 0.001 0.000 0.285 441 V C 0.134 175.710 176.094 -0.864 0.000 1.014 441 V CA -0.920 61.046 62.300 -0.557 0.000 0.831 441 V CB 0.520 32.187 31.823 -0.261 0.000 1.000 441 V HN 1.067 nan 8.190 nan 0.000 0.433 442 A N 8.547 130.970 122.820 -0.662 0.000 2.565 442 A HA 0.407 4.727 4.320 0.001 0.000 0.237 442 A C -1.578 175.938 177.584 -0.112 0.000 1.053 442 A CA -0.477 51.370 52.037 -0.315 0.000 0.755 442 A CB -0.346 18.677 19.000 0.039 0.000 0.980 442 A HN 0.672 nan 8.150 nan 0.000 0.506 443 P HA 0.091 nan 4.420 nan 0.000 0.269 443 P C -0.714 176.683 177.300 0.162 0.000 1.215 443 P CA -0.189 62.957 63.100 0.077 0.000 0.780 443 P CB 0.543 32.320 31.700 0.128 0.000 0.898 444 D N 1.185 121.621 120.400 0.061 0.000 2.313 444 D HA 0.228 4.868 4.640 0.001 0.000 0.247 444 D C 0.133 176.489 176.300 0.094 0.000 1.094 444 D CA 0.396 54.360 54.000 -0.061 0.000 0.925 444 D CB 0.341 41.071 40.800 -0.118 0.000 1.188 444 D HN 0.359 nan 8.370 nan 0.000 0.430 445 F N -0.840 119.119 119.950 0.014 0.000 2.556 445 F HA 0.201 4.728 4.527 0.001 0.000 0.384 445 F C 1.036 176.845 175.800 0.015 0.000 1.493 445 F CA -0.736 57.277 58.000 0.021 0.000 1.119 445 F CB -0.040 38.980 39.000 0.032 0.000 1.280 445 F HN 0.113 nan 8.300 nan 0.000 0.525 446 E N 0.959 121.110 120.200 -0.082 0.000 2.502 446 E HA 0.029 4.379 4.350 0.001 0.000 0.194 446 E C -0.114 176.491 176.600 0.009 0.000 1.062 446 E CA 0.763 57.118 56.400 -0.075 0.000 0.867 446 E CB -0.061 29.572 29.700 -0.111 0.000 0.888 446 E HN 0.473 nan 8.360 nan 0.000 0.510 447 T N -2.789 111.795 114.554 0.050 0.000 2.906 447 T HA 0.341 4.692 4.350 0.001 0.000 0.295 447 T C 0.608 175.358 174.700 0.084 0.000 1.061 447 T CA -0.741 61.392 62.100 0.056 0.000 1.000 447 T CB 2.452 71.345 68.868 0.042 0.000 1.103 447 T HN -0.064 nan 8.240 nan 0.000 0.486 448 K N 0.516 120.963 120.400 0.077 0.000 2.063 448 K HA -0.195 4.126 4.320 0.001 0.000 0.208 448 K C 1.557 178.207 176.600 0.084 0.000 1.048 448 K CA 1.905 58.243 56.287 0.086 0.000 0.928 448 K CB -0.136 32.411 32.500 0.078 0.000 0.713 448 K HN 0.658 nan 8.250 nan 0.000 0.442 449 E N 0.896 121.139 120.200 0.071 0.000 2.058 449 E HA -0.159 4.191 4.350 0.001 0.000 0.194 449 E C 1.867 178.511 176.600 0.072 0.000 0.997 449 E CA 1.582 58.021 56.400 0.066 0.000 0.801 449 E CB -0.009 29.723 29.700 0.053 0.000 0.746 449 E HN 0.309 nan 8.360 nan 0.000 0.450 450 K N 0.091 120.539 120.400 0.080 0.000 2.097 450 K HA 0.014 4.335 4.320 0.001 0.000 0.205 450 K C 2.134 178.805 176.600 0.119 0.000 1.050 450 K CA 1.060 57.402 56.287 0.093 0.000 0.938 450 K CB -0.134 32.422 32.500 0.093 0.000 0.718 450 K HN 0.114 nan 8.250 nan 0.000 0.442 451 A N 1.522 124.425 122.820 0.139 0.000 1.898 451 A HA -0.202 4.119 4.320 0.001 0.000 0.216 451 A C 2.010 179.645 177.584 0.086 0.000 1.181 451 A CA 1.264 53.383 52.037 0.138 0.000 0.620 451 A CB -0.401 18.690 19.000 0.151 0.000 0.819 451 A HN 0.279 nan 8.150 nan 0.000 0.442 452 Q N -0.766 119.084 119.800 0.085 0.000 2.291 452 Q HA -0.144 4.196 4.340 0.001 0.000 0.205 452 Q C 2.072 178.114 176.000 0.071 0.000 0.970 452 Q CA 1.415 57.264 55.803 0.077 0.000 0.876 452 Q CB -0.112 28.676 28.738 0.083 0.000 0.935 452 Q HN 0.729 nan 8.270 nan 0.000 0.455 453 K N 1.039 121.481 120.400 0.070 0.000 2.025 453 K HA -0.107 4.213 4.320 0.001 0.000 0.207 453 K C 1.939 178.576 176.600 0.061 0.000 1.049 453 K CA 0.751 57.074 56.287 0.061 0.000 0.933 453 K CB 0.024 32.560 32.500 0.061 0.000 0.714 453 K HN 0.145 nan 8.250 nan 0.000 0.438 454 L N 0.420 121.685 121.223 0.070 0.000 2.131 454 L HA -0.119 4.221 4.340 0.001 0.000 0.210 454 L C 2.261 179.160 176.870 0.048 0.000 1.092 454 L CA 1.135 56.015 54.840 0.066 0.000 0.759 454 L CB -0.337 41.766 42.059 0.074 0.000 0.903 454 L HN 0.259 nan 8.230 nan 0.000 0.435 455 A N -0.827 122.018 122.820 0.041 0.000 2.251 455 A HA 0.005 4.325 4.320 0.001 0.000 0.209 455 A C 0.909 178.517 177.584 0.040 0.000 1.187 455 A CA -0.082 51.971 52.037 0.026 0.000 0.823 455 A CB -0.235 18.777 19.000 0.020 0.000 0.846 455 A HN 0.370 nan 8.150 nan 0.000 0.486 456 K N -0.867 119.564 120.400 0.050 0.000 3.148 456 K HA -0.123 4.197 4.320 0.001 0.000 0.267 456 K C -0.766 175.884 176.600 0.083 0.000 0.996 456 K CA 0.581 56.901 56.287 0.054 0.000 0.737 456 K CB -2.038 30.488 32.500 0.044 0.000 1.308 456 K HN 0.229 nan 8.250 nan 0.000 0.470 457 V N 1.395 121.370 119.914 0.103 0.000 2.350 457 V HA 0.066 4.186 4.120 0.001 0.000 0.276 457 V C 0.564 176.753 176.094 0.157 0.000 1.028 457 V CA -0.527 61.887 62.300 0.189 0.000 0.860 457 V CB 1.471 33.389 31.823 0.159 0.000 0.990 457 V HN 0.192 nan 8.190 nan 0.000 0.453 458 D N 5.717 126.178 120.400 0.102 0.000 2.608 458 D HA 0.126 4.766 4.640 0.001 0.000 0.224 458 D C 1.247 177.498 176.300 -0.082 0.000 1.123 458 D CA -0.213 53.718 54.000 -0.115 0.000 1.030 458 D CB 0.618 41.207 40.800 -0.352 0.000 1.093 458 D HN 0.328 nan 8.370 nan 0.000 0.497 459 M N 1.025 120.685 119.600 0.099 0.000 2.082 459 M HA -0.179 4.301 4.480 0.001 0.000 0.258 459 M C 1.636 177.961 176.300 0.041 0.000 1.069 459 M CA 1.474 56.858 55.300 0.139 0.000 1.102 459 M CB -0.620 32.040 32.600 0.099 0.000 1.336 459 M HN 0.397 nan 8.290 nan 0.000 0.404 460 E N 0.162 120.355 120.200 -0.011 0.000 2.097 460 E HA -0.181 4.169 4.350 0.001 0.000 0.196 460 E C 2.077 178.635 176.600 -0.069 0.000 1.000 460 E CA 1.513 57.898 56.400 -0.026 0.000 0.804 460 E CB -0.224 29.459 29.700 -0.028 0.000 0.740 460 E HN 0.551 nan 8.360 nan 0.000 0.454 461 A N 0.874 123.593 122.820 -0.169 0.000 1.873 461 A HA -0.151 4.170 4.320 0.001 0.000 0.215 461 A C 1.905 179.366 177.584 -0.204 0.000 1.186 461 A CA 1.135 53.026 52.037 -0.243 0.000 0.616 461 A CB -0.686 18.065 19.000 -0.415 0.000 0.823 461 A HN 0.138 nan 8.150 nan 0.000 0.442 462 F N 0.128 120.031 119.950 -0.079 0.000 2.134 462 F HA -0.096 4.431 4.527 0.000 0.000 0.299 462 F C 2.177 177.881 175.800 -0.161 0.000 1.097 462 F CA 0.922 58.850 58.000 -0.119 0.000 1.264 462 F CB -0.638 38.279 39.000 -0.139 0.000 1.001 462 F HN 0.116 nan 8.300 nan 0.000 0.479 463 I N -0.401 120.173 120.570 0.006 0.000 2.252 463 I HA -0.285 3.885 4.170 0.001 0.000 0.245 463 I C 2.622 178.723 176.117 -0.026 0.000 1.102 463 I CA 1.144 62.366 61.300 -0.130 0.000 1.385 463 I CB -0.787 37.163 38.000 -0.084 0.000 1.064 463 I HN 0.090 nan 8.210 nan 0.000 0.414 464 A N 0.437 123.258 122.820 0.001 0.000 1.883 464 A HA -0.290 4.030 4.320 0.001 0.000 0.217 464 A C 2.330 179.933 177.584 0.033 0.000 1.186 464 A CA 2.104 54.152 52.037 0.018 0.000 0.624 464 A CB -0.715 18.282 19.000 -0.004 0.000 0.822 464 A HN 0.520 nan 8.150 nan 0.000 0.444 465 E N -0.490 119.727 120.200 0.027 0.000 2.110 465 E HA -0.261 4.089 4.350 0.001 0.000 0.193 465 E C 1.997 178.657 176.600 0.099 0.000 0.988 465 E CA 1.577 58.009 56.400 0.052 0.000 0.804 465 E CB -0.074 29.654 29.700 0.046 0.000 0.745 465 E HN 0.441 nan 8.360 nan 0.000 0.458 466 K N 0.730 121.179 120.400 0.082 0.000 2.025 466 K HA -0.081 4.240 4.320 0.001 0.000 0.207 466 K C 2.124 178.873 176.600 0.249 0.000 1.049 466 K CA 1.149 57.526 56.287 0.149 0.000 0.933 466 K CB -0.337 32.158 32.500 -0.007 0.000 0.714 466 K HN 0.170 nan 8.250 nan 0.000 0.438 467 L N 0.384 121.711 121.223 0.174 0.000 2.083 467 L HA -0.187 4.153 4.340 0.001 0.000 0.209 467 L C 2.359 179.281 176.870 0.088 0.000 1.083 467 L CA 1.290 56.222 54.840 0.154 0.000 0.752 467 L CB -0.466 41.665 42.059 0.121 0.000 0.899 467 L HN 0.155 nan 8.230 nan 0.000 0.433 468 K N 0.520 120.973 120.400 0.089 0.000 2.026 468 K HA -0.230 4.090 4.320 0.001 0.000 0.208 468 K C 1.977 178.612 176.600 0.057 0.000 1.048 468 K CA 1.588 57.909 56.287 0.056 0.000 0.929 468 K CB -0.562 31.974 32.500 0.060 0.000 0.713 468 K HN 0.166 nan 8.250 nan 0.000 0.439 469 F N 1.432 121.370 119.950 -0.019 0.000 2.095 469 F HA -0.173 4.354 4.527 0.000 0.000 0.298 469 F C 1.528 177.278 175.800 -0.083 0.000 1.104 469 F CA 1.812 59.777 58.000 -0.057 0.000 1.232 469 F CB -0.214 38.772 39.000 -0.025 0.000 0.987 469 F HN -0.044 nan 8.300 nan 0.000 0.475 470 K N -0.105 120.100 120.400 -0.325 0.000 2.097 470 K HA -0.187 4.133 4.320 0.001 0.000 0.206 470 K C 1.995 178.412 176.600 -0.306 0.000 1.049 470 K CA 1.859 57.903 56.287 -0.404 0.000 0.933 470 K CB -0.325 32.149 32.500 -0.042 0.000 0.717 470 K HN 0.498 nan 8.250 nan 0.000 0.442 471 Q N -0.233 119.457 119.800 -0.183 0.000 2.378 471 Q HA -0.060 4.280 4.340 0.001 0.000 0.205 471 Q C 1.594 177.502 176.000 -0.153 0.000 0.954 471 Q CA 1.380 57.101 55.803 -0.137 0.000 0.901 471 Q CB 0.314 29.005 28.738 -0.078 0.000 0.981 471 Q HN 0.458 nan 8.270 nan 0.000 0.483 472 T N -2.145 112.283 114.554 -0.210 0.000 3.518 472 T HA 0.038 4.389 4.350 0.001 0.000 0.211 472 T C 1.472 176.002 174.700 -0.284 0.000 0.940 472 T CA -0.276 61.714 62.100 -0.184 0.000 1.307 472 T CB -0.684 68.119 68.868 -0.108 0.000 1.392 472 T HN 0.054 nan 8.240 nan 0.000 0.382 473 L N 2.077 123.080 121.223 -0.367 0.000 2.079 473 L HA 0.072 4.412 4.340 0.001 0.000 0.210 473 L C 2.613 178.925 176.870 -0.931 0.000 1.081 473 L CA 2.107 56.627 54.840 -0.533 0.000 0.752 473 L CB -0.868 40.948 42.059 -0.405 0.000 0.896 473 L HN 0.586 nan 8.230 nan 0.000 0.433 474 E N -1.257 118.257 120.200 -1.144 0.000 2.077 474 E HA -0.244 4.106 4.350 0.001 0.000 0.193 474 E C 1.993 178.408 176.600 -0.309 0.000 0.989 474 E CA 1.166 57.038 56.400 -0.878 0.000 0.800 474 E CB 0.044 29.246 29.700 -0.830 0.000 0.746 474 E HN 0.560 nan 8.360 nan 0.000 0.452 475 Q N 0.430 120.069 119.800 -0.269 0.000 2.167 475 Q HA -0.154 4.187 4.340 0.001 0.000 0.202 475 Q C 1.860 177.832 176.000 -0.045 0.000 0.970 475 Q CA 1.176 56.914 55.803 -0.109 0.000 0.855 475 Q CB -0.167 28.508 28.738 -0.106 0.000 0.911 475 Q HN 0.472 nan 8.270 nan 0.000 0.438 476 E N -0.660 119.491 120.200 -0.081 0.000 2.106 476 E HA -0.161 4.189 4.350 0.001 0.000 0.192 476 E C 1.779 178.473 176.600 0.156 0.000 0.984 476 E CA 0.541 56.948 56.400 0.012 0.000 0.806 476 E CB -0.098 29.595 29.700 -0.012 0.000 0.750 476 E HN 0.367 nan 8.360 nan 0.000 0.458 477 W N 1.769 123.053 121.300 -0.027 0.000 2.333 477 W HA -0.123 4.537 4.660 0.001 0.000 0.316 477 W C 2.073 178.580 176.519 -0.022 0.000 1.215 477 W CA 0.819 58.153 57.345 -0.018 0.000 1.278 477 W CB -0.717 28.742 29.460 -0.002 0.000 1.154 477 W HN 0.022 nan 8.180 nan 0.000 0.486 478 K N 0.091 120.632 120.400 0.235 0.000 2.097 478 K HA -0.147 4.173 4.320 0.001 0.000 0.205 478 K C 1.984 178.631 176.600 0.078 0.000 1.050 478 K CA 1.397 57.761 56.287 0.129 0.000 0.938 478 K CB -0.287 32.274 32.500 0.102 0.000 0.718 478 K HN 0.074 nan 8.250 nan 0.000 0.442 479 K N 0.901 121.342 120.400 0.068 0.000 2.057 479 K HA -0.173 4.147 4.320 0.001 0.000 0.207 479 K C 2.246 178.872 176.600 0.042 0.000 1.049 479 K CA 1.449 57.761 56.287 0.043 0.000 0.931 479 K CB -0.024 32.495 32.500 0.030 0.000 0.714 479 K HN 0.199 nan 8.250 nan 0.000 0.440 480 Q N 0.152 119.988 119.800 0.059 0.000 2.079 480 Q HA -0.096 4.244 4.340 0.001 0.000 0.200 480 Q C 2.209 178.221 176.000 0.020 0.000 0.974 480 Q CA 1.329 57.157 55.803 0.043 0.000 0.840 480 Q CB -0.152 28.624 28.738 0.063 0.000 0.898 480 Q HN 0.331 nan 8.270 nan 0.000 0.430 481 A N 0.937 123.770 122.820 0.021 0.000 1.902 481 A HA -0.176 4.145 4.320 0.001 0.000 0.217 481 A C 2.032 179.613 177.584 -0.005 0.000 1.181 481 A CA 1.167 53.198 52.037 -0.009 0.000 0.623 481 A CB -0.594 18.397 19.000 -0.015 0.000 0.818 481 A HN 0.301 nan 8.150 nan 0.000 0.443 482 I N -0.433 120.144 120.570 0.011 0.000 2.252 482 I HA -0.238 3.932 4.170 0.001 0.000 0.245 482 I C 2.959 179.078 176.117 0.003 0.000 1.102 482 I CA 0.950 62.256 61.300 0.010 0.000 1.385 482 I CB -0.327 37.684 38.000 0.019 0.000 1.064 482 I HN 0.354 nan 8.210 nan 0.000 0.414 483 A N 0.867 123.690 122.820 0.006 0.000 1.902 483 A HA -0.206 4.114 4.320 0.001 0.000 0.217 483 A C 2.232 179.812 177.584 -0.006 0.000 1.181 483 A CA 1.557 53.595 52.037 0.002 0.000 0.623 483 A CB -0.405 18.599 19.000 0.006 0.000 0.818 483 A HN 0.339 nan 8.150 nan 0.000 0.443 484 K N -1.575 118.818 120.400 -0.010 0.000 2.432 484 K HA 0.167 4.487 4.320 0.001 0.000 0.196 484 K C 1.001 177.585 176.600 -0.026 0.000 1.038 484 K CA 0.496 56.771 56.287 -0.020 0.000 0.986 484 K CB -0.102 32.382 32.500 -0.026 0.000 0.782 484 K HN 0.706 nan 8.250 nan 0.000 0.485 485 G N 1.763 110.550 108.800 -0.022 0.000 2.137 485 G HA2 -0.245 3.715 3.960 0.001 0.000 0.237 485 G HA3 -0.245 3.715 3.960 0.001 0.000 0.237 485 G C 0.671 175.551 174.900 -0.033 0.000 1.002 485 G CA -0.033 45.052 45.100 -0.025 0.000 0.702 485 G HN 0.158 nan 8.290 nan 0.000 0.515 486 R N -1.323 119.155 120.500 -0.037 0.000 2.265 486 R HA 0.349 4.689 4.340 0.001 0.000 0.194 486 R C 0.622 176.900 176.300 -0.036 0.000 0.931 486 R CA 0.481 56.551 56.100 -0.050 0.000 1.032 486 R CB 0.206 30.463 30.300 -0.072 0.000 0.980 486 R HN 0.625 nan 8.270 nan 0.000 0.497 487 L N 0.858 122.070 121.223 -0.018 0.000 2.436 487 L HA 0.443 4.784 4.340 0.001 0.000 0.268 487 L C -1.507 175.372 176.870 0.015 0.000 0.974 487 L CA -0.532 54.309 54.840 0.002 0.000 0.826 487 L CB 2.091 44.153 42.059 0.004 0.000 1.291 487 L HN -0.149 nan 8.230 nan 0.000 0.406 488 N N 5.567 124.285 118.700 0.031 0.000 2.419 488 N HA 0.374 5.114 4.740 0.001 0.000 0.277 488 N C -2.130 173.410 175.510 0.050 0.000 1.006 488 N CA -1.433 51.640 53.050 0.039 0.000 0.923 488 N CB 2.140 40.658 38.487 0.051 0.000 1.140 488 N HN 0.443 nan 8.380 nan 0.000 0.488 489 P HA -0.177 nan 4.420 nan 0.000 0.217 489 P C 1.137 178.477 177.300 0.066 0.000 1.148 489 P CA 1.107 64.237 63.100 0.049 0.000 0.834 489 P CB 0.551 32.276 31.700 0.041 0.000 0.783 490 E N -0.228 120.019 120.200 0.079 0.000 2.097 490 E HA -0.188 4.163 4.350 0.001 0.000 0.196 490 E C 2.030 178.709 176.600 0.133 0.000 1.000 490 E CA 1.953 58.419 56.400 0.110 0.000 0.804 490 E CB -0.642 29.135 29.700 0.129 0.000 0.740 490 E HN 0.360 nan 8.360 nan 0.000 0.454 491 S N 0.056 115.822 115.700 0.111 0.000 2.474 491 S HA -0.049 4.421 4.470 0.001 0.000 0.235 491 S C 1.957 176.532 174.600 -0.042 0.000 0.997 491 S CA 0.490 58.721 58.200 0.052 0.000 0.949 491 S CB -0.308 62.913 63.200 0.035 0.000 0.766 491 S HN 0.203 nan 8.310 nan 0.000 0.517 492 L N 0.250 121.492 121.223 0.032 0.000 2.591 492 L HA 0.218 4.558 4.340 0.001 0.000 0.228 492 L C 0.486 177.423 176.870 0.113 0.000 1.133 492 L CA 0.010 54.875 54.840 0.042 0.000 0.880 492 L CB -0.310 41.782 42.059 0.055 0.000 1.033 492 L HN 0.134 nan 8.230 nan 0.000 0.450 493 K N 1.481 121.974 120.400 0.155 0.000 2.430 493 K HA 0.103 4.424 4.320 0.001 0.000 0.280 493 K C 1.210 177.947 176.600 0.229 0.000 1.063 493 K CA 0.700 57.089 56.287 0.169 0.000 1.071 493 K CB 0.187 32.777 32.500 0.149 0.000 0.899 493 K HN 0.281 nan 8.250 nan 0.000 0.473 494 G N 1.930 110.842 108.800 0.185 0.000 2.180 494 G HA2 -0.297 3.664 3.960 0.001 0.000 0.263 494 G HA3 -0.297 3.664 3.960 0.001 0.000 0.263 494 G C 0.735 175.852 174.900 0.361 0.000 0.989 494 G CA 0.444 45.674 45.100 0.218 0.000 0.692 494 G HN 0.518 nan 8.290 nan 0.000 0.526 495 V N -0.296 119.825 119.914 0.346 0.000 2.871 495 V HA 0.165 4.285 4.120 0.001 0.000 0.256 495 V C 1.379 177.685 176.094 0.354 0.000 1.082 495 V CA 2.333 64.871 62.300 0.398 0.000 1.105 495 V CB 0.251 32.147 31.823 0.122 0.000 0.713 495 V HN 0.400 nan 8.190 nan 0.000 0.473 496 D N -0.960 119.588 120.400 0.246 0.000 2.980 496 D HA 0.154 4.794 4.640 0.001 0.000 0.333 496 D C 1.314 177.747 176.300 0.221 0.000 1.356 496 D CA -0.018 54.117 54.000 0.226 0.000 0.847 496 D CB 0.281 41.191 40.800 0.182 0.000 1.122 496 D HN 0.365 nan 8.370 nan 0.000 0.475 497 E N -0.089 120.226 120.200 0.191 0.000 2.276 497 E HA 0.110 4.460 4.350 0.001 0.000 0.193 497 E C 0.163 176.868 176.600 0.175 0.000 0.983 497 E CA 0.631 57.125 56.400 0.157 0.000 0.861 497 E CB 0.827 30.584 29.700 0.096 0.000 0.817 497 E HN 0.310 nan 8.360 nan 0.000 0.485 498 K N 0.195 120.623 120.400 0.046 0.000 2.444 498 K HA 0.498 4.819 4.320 0.001 0.000 0.252 498 K C -0.329 175.957 176.600 -0.524 0.000 0.993 498 K CA -0.548 55.621 56.287 -0.198 0.000 0.847 498 K CB 2.345 34.717 32.500 -0.214 0.000 1.340 498 K HN 0.017 nan 8.250 nan 0.000 0.446 499 S N -1.564 113.643 115.700 -0.822 0.000 2.683 499 S HA 0.139 4.610 4.470 0.001 0.000 0.269 499 S C 0.286 174.510 174.600 -0.627 0.000 1.165 499 S CA -0.245 57.426 58.200 -0.880 0.000 0.840 499 S CB 0.696 62.880 63.200 -1.694 0.000 1.169 499 S HN 0.594 nan 8.310 nan 0.000 0.490 500 S N -0.109 115.356 115.700 -0.392 0.000 2.527 500 S HA 0.032 4.503 4.470 0.001 0.000 0.222 500 S C 1.145 175.713 174.600 -0.054 0.000 0.985 500 S CA 0.772 58.886 58.200 -0.143 0.000 0.921 500 S CB -0.977 62.226 63.200 0.006 0.000 0.772 500 S HN 1.119 nan 8.310 nan 0.000 0.529 501 Y N 0.158 120.351 120.300 -0.177 0.000 2.481 501 Y HA 0.581 5.131 4.550 0.000 0.000 0.247 501 Y C 0.047 175.982 175.900 0.059 0.000 1.151 501 Y CA -2.028 56.049 58.100 -0.038 0.000 1.238 501 Y CB -0.583 37.901 38.460 0.040 0.000 1.179 501 Y HN 0.377 nan 8.280 nan 0.000 0.524 502 Y N -1.655 118.502 120.300 -0.238 0.000 2.592 502 Y HA 0.693 5.243 4.550 0.000 0.000 0.334 502 Y C -2.142 173.670 175.900 -0.148 0.000 1.136 502 Y CA -2.686 55.329 58.100 -0.143 0.000 1.042 502 Y CB 1.507 39.885 38.460 -0.137 0.000 1.325 502 Y HN -0.079 nan 8.280 nan 0.000 0.457 503 D N 1.634 122.128 120.400 0.157 0.000 2.375 503 D HA 0.269 4.909 4.640 0.001 0.000 0.241 503 D C -0.734 175.624 176.300 0.095 0.000 1.361 503 D CA -0.604 53.441 54.000 0.075 0.000 0.995 503 D CB 1.486 42.278 40.800 -0.013 0.000 1.312 503 D HN 0.718 nan 8.370 nan 0.000 0.576 504 K N 1.401 121.872 120.400 0.118 0.000 2.616 504 K HA 0.054 4.374 4.320 0.001 0.000 0.192 504 K C 0.380 177.003 176.600 0.037 0.000 1.031 504 K CA 0.645 56.970 56.287 0.064 0.000 1.004 504 K CB 0.225 32.759 32.500 0.057 0.000 0.810 504 K HN 0.559 nan 8.250 nan 0.000 0.497 505 T N -0.833 113.737 114.554 0.027 0.000 8.581 505 T HA -0.148 4.202 4.350 0.001 0.000 0.314 505 T C -0.408 174.287 174.700 -0.008 0.000 2.045 505 T CA 0.630 62.734 62.100 0.007 0.000 3.453 505 T CB -0.524 68.349 68.868 0.008 0.000 1.498 505 T HN 0.311 nan 8.240 nan 0.000 0.483 506 K N 1.260 121.658 120.400 -0.003 0.000 2.575 506 K HA 0.323 4.644 4.320 0.001 0.000 0.271 506 K C -1.231 175.369 176.600 -0.001 0.000 1.013 506 K CA -0.603 55.671 56.287 -0.021 0.000 0.939 506 K CB 1.230 33.718 32.500 -0.020 0.000 1.328 506 K HN 0.101 nan 8.250 nan 0.000 0.450 507 K N 0.000 120.381 120.400 -0.032 0.000 2.780 507 K HA 0.000 4.320 4.320 0.001 0.000 0.191 507 K CA 0.000 56.312 56.287 0.042 0.000 0.838 507 K CB 0.000 32.428 32.500 -0.119 0.000 1.064 507 K HN 0.000 nan 8.250 nan 0.000 0.543